Program PWSCF v.5.4.0 starts on 21Mar2017 at 14:45:55 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./B4CCl6O.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 33 9 2549 1103 163 Max 60 34 10 2553 1123 168 Sum 4249 2433 689 183663 80103 11879 bravais-lattice index = 14 lattice parameter (alat) = 13.0699 a.u. unit-cell volume = 1837.2509 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.069882 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.299493 celldm(5)= -0.299493 celldm(6)= -0.299493 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.299493 0.954098 0.000000 ) a(3) = ( -0.299493 -0.407914 0.862502 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.313902 0.495695 ) b(2) = ( 0.000000 1.048110 0.495695 ) b(3) = ( 0.000000 0.000000 1.159417 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0113166 -0.0154134 0.0097606), wk = 0.0041841 k( 3) = ( 0.0226333 -0.0308268 0.0195212), wk = 0.0041841 k( 4) = ( 0.0339499 -0.0462401 0.0292818), wk = 0.0041841 k( 5) = ( 0.0452665 -0.0616535 0.0390425), wk = 0.0041841 k( 6) = ( 0.0565831 -0.0770669 0.0488031), wk = 0.0041841 k( 7) = ( 0.0678998 -0.0924803 0.0585637), wk = 0.0041841 k( 8) = ( 0.0792164 -0.1078937 0.0683243), wk = 0.0041841 k( 9) = ( 0.0905330 -0.1233071 0.0780849), wk = 0.0041841 k( 10) = ( 0.1018496 -0.1387204 0.0878456), wk = 0.0041841 k( 11) = ( 0.1131663 -0.1541338 0.0976062), wk = 0.0041841 k( 12) = ( 0.1244829 -0.1695472 0.1073668), wk = 0.0041841 k( 13) = ( 0.1357995 -0.1849606 0.1171274), wk = 0.0041841 k( 14) = ( 0.1471162 -0.2003740 0.1268880), wk = 0.0041841 k( 15) = ( 0.1584328 -0.2157873 0.1366487), wk = 0.0041841 k( 16) = ( 0.1697494 -0.2312007 0.1464093), wk = 0.0041841 k( 17) = ( 0.1810660 -0.2466141 0.1561699), wk = 0.0041841 k( 18) = ( 0.1923827 -0.2620275 0.1659305), wk = 0.0041841 k( 19) = ( 0.2036993 -0.2774409 0.1756911), wk = 0.0041841 k( 20) = ( 0.2150159 -0.2928543 0.1854517), wk = 0.0041841 k( 21) = ( 0.2263325 -0.3082676 0.1952124), wk = 0.0041841 k( 22) = ( 0.2376492 -0.3236810 0.2049730), wk = 0.0041841 k( 23) = ( 0.2489658 -0.3390944 0.2147336), wk = 0.0041841 k( 24) = ( 0.2602824 -0.3545078 0.2244942), wk = 0.0041841 k( 25) = ( 0.2715991 -0.3699212 0.2342548), wk = 0.0041841 k( 26) = ( 0.2829157 -0.3853345 0.2440154), wk = 0.0041841 k( 27) = ( 0.2942323 -0.4007479 0.2537761), wk = 0.0041841 k( 28) = ( 0.3055489 -0.4161613 0.2635367), wk = 0.0041841 k( 29) = ( 0.3168656 -0.4315747 0.2732973), wk = 0.0041841 k( 30) = ( 0.3281822 -0.4469881 0.2830579), wk = 0.0041841 k( 31) = ( 0.3394988 -0.4624014 0.2928185), wk = 0.0041841 k( 32) = ( 0.3508154 -0.4778148 0.3025791), wk = 0.0041841 k( 33) = ( 0.3621321 -0.4932282 0.3123398), wk = 0.0041841 k( 34) = ( 0.3734487 -0.5086416 0.3221004), wk = 0.0041841 k( 35) = ( 0.3847653 -0.5240550 0.3318610), wk = 0.0041841 k( 36) = ( 0.3847653 -0.5240550 0.3318610), wk = 0.0041841 k( 37) = ( 0.3924476 -0.5135916 0.3483842), wk = 0.0041841 k( 38) = ( 0.4001300 -0.5031282 0.3649073), wk = 0.0041841 k( 39) = ( 0.4078123 -0.4926648 0.3814305), wk = 0.0041841 k( 40) = ( 0.4154946 -0.4822014 0.3979537), wk = 0.0041841 k( 41) = ( 0.4231769 -0.4717380 0.4144769), wk = 0.0041841 k( 42) = ( 0.4308592 -0.4612746 0.4310000), wk = 0.0041841 k( 43) = ( 0.4385415 -0.4508112 0.4475232), wk = 0.0041841 k( 44) = ( 0.4462238 -0.4403478 0.4640464), wk = 0.0041841 k( 45) = ( 0.4539061 -0.4298844 0.4805695), wk = 0.0041841 k( 46) = ( 0.4615884 -0.4194210 0.4970927), wk = 0.0041841 k( 47) = ( 0.4692708 -0.4089576 0.5136159), wk = 0.0041841 k( 48) = ( 0.4769531 -0.3984942 0.5301391), wk = 0.0041841 k( 49) = ( 0.4846354 -0.3880308 0.5466622), wk = 0.0041841 k( 50) = ( 0.4923177 -0.3775674 0.5631854), wk = 0.0041841 k( 51) = ( 0.5000000 -0.3671040 0.5797086), wk = 0.0041841 k( 52) = ( 0.5000000 -0.3671040 0.5797086), wk = 0.0041841 k( 53) = ( 0.4934152 -0.3461266 0.5797086), wk = 0.0041841 k( 54) = ( 0.4868303 -0.3251492 0.5797086), wk = 0.0041841 k( 55) = ( 0.4802455 -0.3041719 0.5797086), wk = 0.0041841 k( 56) = ( 0.4736607 -0.2831945 0.5797086), wk = 0.0041841 k( 57) = ( 0.4670758 -0.2622171 0.5797086), wk = 0.0041841 k( 58) = ( 0.4604910 -0.2412398 0.5797086), wk = 0.0041841 k( 59) = ( 0.4539061 -0.2202624 0.5797086), wk = 0.0041841 k( 60) = ( 0.4473213 -0.1992850 0.5797086), wk = 0.0041841 k( 61) = ( 0.4407365 -0.1783076 0.5797086), wk = 0.0041841 k( 62) = ( 0.4341516 -0.1573303 0.5797086), wk = 0.0041841 k( 63) = ( 0.4275668 -0.1363529 0.5797086), wk = 0.0041841 k( 64) = ( 0.4209819 -0.1153755 0.5797086), wk = 0.0041841 k( 65) = ( 0.4143971 -0.0943982 0.5797086), wk = 0.0041841 k( 66) = ( 0.4078123 -0.0734208 0.5797086), wk = 0.0041841 k( 67) = ( 0.4012274 -0.0524434 0.5797086), wk = 0.0041841 k( 68) = ( 0.3946426 -0.0314661 0.5797086), wk = 0.0041841 k( 69) = ( 0.3880577 -0.0104887 0.5797086), wk = 0.0041841 k( 70) = ( 0.3814729 0.0104887 0.5797086), wk = 0.0041841 k( 71) = ( 0.3748881 0.0314661 0.5797086), wk = 0.0041841 k( 72) = ( 0.3683032 0.0524434 0.5797086), wk = 0.0041841 k( 73) = ( 0.3617184 0.0734208 0.5797086), wk = 0.0041841 k( 74) = ( 0.3551336 0.0943982 0.5797086), wk = 0.0041841 k( 75) = ( 0.3485487 0.1153755 0.5797086), wk = 0.0041841 k( 76) = ( 0.3419639 0.1363529 0.5797086), wk = 0.0041841 k( 77) = ( 0.3353791 0.1573303 0.5797086), wk = 0.0041841 k( 78) = ( 0.3287942 0.1783077 0.5797086), wk = 0.0041841 k( 79) = ( 0.3222094 0.1992850 0.5797086), wk = 0.0041841 k( 80) = ( 0.3156245 0.2202624 0.5797086), wk = 0.0041841 k( 81) = ( 0.3090397 0.2412398 0.5797086), wk = 0.0041841 k( 82) = ( 0.3024549 0.2622171 0.5797086), wk = 0.0041841 k( 83) = ( 0.2958700 0.2831945 0.5797086), wk = 0.0041841 k( 84) = ( 0.2892852 0.3041719 0.5797086), wk = 0.0041841 k( 85) = ( 0.2827003 0.3251492 0.5797086), wk = 0.0041841 k( 86) = ( 0.2761155 0.3461266 0.5797086), wk = 0.0041841 k( 87) = ( 0.2695307 0.3671040 0.5797086), wk = 0.0041841 k( 88) = ( 0.2695307 0.3671040 0.5797086), wk = 0.0041841 k( 89) = ( 0.2616033 0.3563068 0.5626583), wk = 0.0041841 k( 90) = ( 0.2536759 0.3455096 0.5456081), wk = 0.0041841 k( 91) = ( 0.2457486 0.3347125 0.5285578), wk = 0.0041841 k( 92) = ( 0.2378212 0.3239153 0.5115076), wk = 0.0041841 k( 93) = ( 0.2298938 0.3131181 0.4944573), wk = 0.0041841 k( 94) = ( 0.2219664 0.3023209 0.4774071), wk = 0.0041841 k( 95) = ( 0.2140391 0.2915237 0.4603568), wk = 0.0041841 k( 96) = ( 0.2061117 0.2807266 0.4433066), wk = 0.0041841 k( 97) = ( 0.1981843 0.2699294 0.4262563), wk = 0.0041841 k( 98) = ( 0.1902569 0.2591322 0.4092060), wk = 0.0041841 k( 99) = ( 0.1823296 0.2483350 0.3921558), wk = 0.0041841 k( 100) = ( 0.1744022 0.2375379 0.3751056), wk = 0.0041841 k( 101) = ( 0.1664748 0.2267407 0.3580553), wk = 0.0041841 k( 102) = ( 0.1585475 0.2159435 0.3410050), wk = 0.0041841 k( 103) = ( 0.1506201 0.2051463 0.3239548), wk = 0.0041841 k( 104) = ( 0.1426927 0.1943492 0.3069045), wk = 0.0041841 k( 105) = ( 0.1347653 0.1835520 0.2898543), wk = 0.0041841 k( 106) = ( 0.1268380 0.1727548 0.2728040), wk = 0.0041841 k( 107) = ( 0.1189106 0.1619576 0.2557538), wk = 0.0041841 k( 108) = ( 0.1109832 0.1511605 0.2387035), wk = 0.0041841 k( 109) = ( 0.1030558 0.1403633 0.2216533), wk = 0.0041841 k( 110) = ( 0.0951285 0.1295661 0.2046030), wk = 0.0041841 k( 111) = ( 0.0872011 0.1187689 0.1875528), wk = 0.0041841 k( 112) = ( 0.0792737 0.1079718 0.1705025), wk = 0.0041841 k( 113) = ( 0.0713464 0.0971746 0.1534523), wk = 0.0041841 k( 114) = ( 0.0634190 0.0863774 0.1364020), wk = 0.0041841 k( 115) = ( 0.0554916 0.0755802 0.1193518), wk = 0.0041841 k( 116) = ( 0.0475642 0.0647831 0.1023015), wk = 0.0041841 k( 117) = ( 0.0396369 0.0539859 0.0852513), wk = 0.0041841 k( 118) = ( 0.0317095 0.0431887 0.0682010), wk = 0.0041841 k( 119) = ( 0.0237821 0.0323915 0.0511508), wk = 0.0041841 k( 120) = ( 0.0158548 0.0215944 0.0341005), wk = 0.0041841 k( 121) = ( 0.0079274 0.0107972 0.0170502), wk = 0.0041841 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 124) = ( 0.0172414 -0.0126588 0.0000000), wk = 0.0041841 k( 125) = ( 0.0344828 -0.0253175 0.0000000), wk = 0.0041841 k( 126) = ( 0.0517241 -0.0379763 0.0000000), wk = 0.0041841 k( 127) = ( 0.0689655 -0.0506350 0.0000000), wk = 0.0041841 k( 128) = ( 0.0862069 -0.0632938 0.0000000), wk = 0.0041841 k( 129) = ( 0.1034483 -0.0759526 0.0000000), wk = 0.0041841 k( 130) = ( 0.1206897 -0.0886113 0.0000000), wk = 0.0041841 k( 131) = ( 0.1379310 -0.1012701 0.0000000), wk = 0.0041841 k( 132) = ( 0.1551724 -0.1139288 0.0000000), wk = 0.0041841 k( 133) = ( 0.1724138 -0.1265876 0.0000000), wk = 0.0041841 k( 134) = ( 0.1896552 -0.1392463 0.0000000), wk = 0.0041841 k( 135) = ( 0.2068966 -0.1519051 0.0000000), wk = 0.0041841 k( 136) = ( 0.2241379 -0.1645639 0.0000000), wk = 0.0041841 k( 137) = ( 0.2413793 -0.1772226 0.0000000), wk = 0.0041841 k( 138) = ( 0.2586207 -0.1898814 0.0000000), wk = 0.0041841 k( 139) = ( 0.2758621 -0.2025401 0.0000000), wk = 0.0041841 k( 140) = ( 0.2931034 -0.2151989 0.0000000), wk = 0.0041841 k( 141) = ( 0.3103448 -0.2278576 0.0000000), wk = 0.0041841 k( 142) = ( 0.3275862 -0.2405164 0.0000000), wk = 0.0041841 k( 143) = ( 0.3448276 -0.2531752 0.0000000), wk = 0.0041841 k( 144) = ( 0.3620690 -0.2658339 0.0000000), wk = 0.0041841 k( 145) = ( 0.3793103 -0.2784927 0.0000000), wk = 0.0041841 k( 146) = ( 0.3965517 -0.2911514 0.0000000), wk = 0.0041841 k( 147) = ( 0.4137931 -0.3038102 0.0000000), wk = 0.0041841 k( 148) = ( 0.4310345 -0.3164690 0.0000000), wk = 0.0041841 k( 149) = ( 0.4482759 -0.3291277 0.0000000), wk = 0.0041841 k( 150) = ( 0.4655172 -0.3417865 0.0000000), wk = 0.0041841 k( 151) = ( 0.4827586 -0.3544452 0.0000000), wk = 0.0041841 k( 152) = ( 0.5000000 -0.3671040 0.0000000), wk = 0.0041841 k( 153) = ( 0.5000000 -0.3671040 0.0000000), wk = 0.0041841 k( 154) = ( 0.5064019 -0.3583845 -0.0184367), wk = 0.0041841 k( 155) = ( 0.5128038 -0.3496650 -0.0368734), wk = 0.0041841 k( 156) = ( 0.5192058 -0.3409455 -0.0553102), wk = 0.0041841 k( 157) = ( 0.5256077 -0.3322260 -0.0737469), wk = 0.0041841 k( 158) = ( 0.5320096 -0.3235065 -0.0921836), wk = 0.0041841 k( 159) = ( 0.5384115 -0.3147870 -0.1106203), wk = 0.0041841 k( 160) = ( 0.5448135 -0.3060675 -0.1290571), wk = 0.0041841 k( 161) = ( 0.5512154 -0.2973480 -0.1474938), wk = 0.0041841 k( 162) = ( 0.5576173 -0.2886285 -0.1659305), wk = 0.0041841 k( 163) = ( 0.5640193 -0.2799090 -0.1843672), wk = 0.0041841 k( 164) = ( 0.5704212 -0.2711895 -0.2028039), wk = 0.0041841 k( 165) = ( 0.5768231 -0.2624700 -0.2212407), wk = 0.0041841 k( 166) = ( 0.5832250 -0.2537505 -0.2396774), wk = 0.0041841 k( 167) = ( 0.5896270 -0.2450310 -0.2581141), wk = 0.0041841 k( 168) = ( 0.5960289 -0.2363115 -0.2765508), wk = 0.0041841 k( 169) = ( 0.6024308 -0.2275920 -0.2949876), wk = 0.0041841 k( 170) = ( 0.6088327 -0.2188725 -0.3134243), wk = 0.0041841 k( 171) = ( 0.6152347 -0.2101530 -0.3318610), wk = 0.0041841 k( 172) = ( 0.6152347 -0.2101530 -0.3318610), wk = 0.0041841 k( 173) = ( 0.6229170 -0.1996896 -0.3153378), wk = 0.0041841 k( 174) = ( 0.6305993 -0.1892262 -0.2988146), wk = 0.0041841 k( 175) = ( 0.6382816 -0.1787628 -0.2822915), wk = 0.0041841 k( 176) = ( 0.6459639 -0.1682994 -0.2657683), wk = 0.0041841 k( 177) = ( 0.6536462 -0.1578360 -0.2492451), wk = 0.0041841 k( 178) = ( 0.6613285 -0.1473726 -0.2327220), wk = 0.0041841 k( 179) = ( 0.6690108 -0.1369092 -0.2161988), wk = 0.0041841 k( 180) = ( 0.6766931 -0.1264458 -0.1996756), wk = 0.0041841 k( 181) = ( 0.6843755 -0.1159824 -0.1831525), wk = 0.0041841 k( 182) = ( 0.6920578 -0.1055190 -0.1666293), wk = 0.0041841 k( 183) = ( 0.6997401 -0.0950556 -0.1501061), wk = 0.0041841 k( 184) = ( 0.7074224 -0.0845922 -0.1335829), wk = 0.0041841 k( 185) = ( 0.7151047 -0.0741288 -0.1170598), wk = 0.0041841 k( 186) = ( 0.7227870 -0.0636654 -0.1005366), wk = 0.0041841 k( 187) = ( 0.7304693 -0.0532020 -0.0840134), wk = 0.0041841 k( 188) = ( 0.7304693 -0.0532020 -0.0840134), wk = 0.0041841 k( 189) = ( 0.7194946 -0.0431947 -0.0682105), wk = 0.0041841 k( 190) = ( 0.7085199 -0.0331874 -0.0524076), wk = 0.0041841 k( 191) = ( 0.6975451 -0.0231802 -0.0366047), wk = 0.0041841 k( 192) = ( 0.6865704 -0.0131729 -0.0208018), wk = 0.0041841 k( 193) = ( 0.6755957 -0.0031656 -0.0049989), wk = 0.0041841 k( 194) = ( 0.6646209 0.0068417 0.0108040), wk = 0.0041841 k( 195) = ( 0.6536462 0.0168490 0.0266069), wk = 0.0041841 k( 196) = ( 0.6426715 0.0268563 0.0424098), wk = 0.0041841 k( 197) = ( 0.6316968 0.0368636 0.0582127), wk = 0.0041841 k( 198) = ( 0.6207220 0.0468708 0.0740156), wk = 0.0041841 k( 199) = ( 0.6097473 0.0568781 0.0898185), wk = 0.0041841 k( 200) = ( 0.5987726 0.0668854 0.1056214), wk = 0.0041841 k( 201) = ( 0.5877978 0.0768927 0.1214243), wk = 0.0041841 k( 202) = ( 0.5768231 0.0869000 0.1372272), wk = 0.0041841 k( 203) = ( 0.5658484 0.0969073 0.1530302), wk = 0.0041841 k( 204) = ( 0.5548736 0.1069146 0.1688330), wk = 0.0041841 k( 205) = ( 0.5438989 0.1169218 0.1846359), wk = 0.0041841 k( 206) = ( 0.5329242 0.1269291 0.2004389), wk = 0.0041841 k( 207) = ( 0.5219495 0.1369364 0.2162418), wk = 0.0041841 k( 208) = ( 0.5109747 0.1469437 0.2320447), wk = 0.0041841 k( 209) = ( 0.5000000 0.1569510 0.2478476), wk = 0.0041841 k( 210) = ( 0.5000000 0.1569510 0.2478476), wk = 0.0041841 k( 211) = ( 0.5000000 0.1388801 0.2592911), wk = 0.0041841 k( 212) = ( 0.5000000 0.1208093 0.2707345), wk = 0.0041841 k( 213) = ( 0.5000000 0.1027384 0.2821780), wk = 0.0041841 k( 214) = ( 0.5000000 0.0846675 0.2936215), wk = 0.0041841 k( 215) = ( 0.5000000 0.0665967 0.3050650), wk = 0.0041841 k( 216) = ( 0.5000000 0.0485258 0.3165085), wk = 0.0041841 k( 217) = ( 0.5000000 0.0304550 0.3279520), wk = 0.0041841 k( 218) = ( 0.5000000 0.0123841 0.3393954), wk = 0.0041841 k( 219) = ( 0.5000000 -0.0056868 0.3508389), wk = 0.0041841 k( 220) = ( 0.5000000 -0.0237576 0.3622824), wk = 0.0041841 k( 221) = ( 0.5000000 -0.0418285 0.3737259), wk = 0.0041841 k( 222) = ( 0.5000000 -0.0598993 0.3851694), wk = 0.0041841 k( 223) = ( 0.5000000 -0.0779702 0.3966128), wk = 0.0041841 k( 224) = ( 0.5000000 -0.0960411 0.4080563), wk = 0.0041841 k( 225) = ( 0.5000000 -0.1141119 0.4194998), wk = 0.0041841 k( 226) = ( 0.5000000 -0.1321828 0.4309433), wk = 0.0041841 k( 227) = ( 0.5000000 -0.1502537 0.4423868), wk = 0.0041841 k( 228) = ( 0.5000000 -0.1683245 0.4538303), wk = 0.0041841 k( 229) = ( 0.5000000 -0.1863954 0.4652737), wk = 0.0041841 k( 230) = ( 0.5000000 -0.2044662 0.4767172), wk = 0.0041841 k( 231) = ( 0.5000000 -0.2225371 0.4881607), wk = 0.0041841 k( 232) = ( 0.5000000 -0.2406080 0.4996042), wk = 0.0041841 k( 233) = ( 0.5000000 -0.2586788 0.5110477), wk = 0.0041841 k( 234) = ( 0.5000000 -0.2767497 0.5224912), wk = 0.0041841 k( 235) = ( 0.5000000 -0.2948205 0.5339346), wk = 0.0041841 k( 236) = ( 0.5000000 -0.3128914 0.5453781), wk = 0.0041841 k( 237) = ( 0.5000000 -0.3309623 0.5568216), wk = 0.0041841 k( 238) = ( 0.5000000 -0.3490331 0.5682651), wk = 0.0041841 k( 239) = ( 0.5000000 -0.3671040 0.5797086), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0113166 -0.0180951 0.0113166), wk = 0.0041841 k( 3) = ( 0.0226333 -0.0361903 0.0226333), wk = 0.0041841 k( 4) = ( 0.0339499 -0.0542854 0.0339499), wk = 0.0041841 k( 5) = ( 0.0452665 -0.0723805 0.0452665), wk = 0.0041841 k( 6) = ( 0.0565831 -0.0904757 0.0565831), wk = 0.0041841 k( 7) = ( 0.0678998 -0.1085708 0.0678998), wk = 0.0041841 k( 8) = ( 0.0792164 -0.1266660 0.0792164), wk = 0.0041841 k( 9) = ( 0.0905330 -0.1447611 0.0905330), wk = 0.0041841 k( 10) = ( 0.1018496 -0.1628562 0.1018496), wk = 0.0041841 k( 11) = ( 0.1131663 -0.1809514 0.1131663), wk = 0.0041841 k( 12) = ( 0.1244829 -0.1990465 0.1244829), wk = 0.0041841 k( 13) = ( 0.1357995 -0.2171416 0.1357995), wk = 0.0041841 k( 14) = ( 0.1471162 -0.2352368 0.1471162), wk = 0.0041841 k( 15) = ( 0.1584328 -0.2533319 0.1584328), wk = 0.0041841 k( 16) = ( 0.1697494 -0.2714271 0.1697494), wk = 0.0041841 k( 17) = ( 0.1810660 -0.2895222 0.1810660), wk = 0.0041841 k( 18) = ( 0.1923827 -0.3076173 0.1923827), wk = 0.0041841 k( 19) = ( 0.2036993 -0.3257125 0.2036993), wk = 0.0041841 k( 20) = ( 0.2150159 -0.3438076 0.2150159), wk = 0.0041841 k( 21) = ( 0.2263325 -0.3619027 0.2263325), wk = 0.0041841 k( 22) = ( 0.2376492 -0.3799979 0.2376492), wk = 0.0041841 k( 23) = ( 0.2489658 -0.3980930 0.2489658), wk = 0.0041841 k( 24) = ( 0.2602824 -0.4161882 0.2602824), wk = 0.0041841 k( 25) = ( 0.2715991 -0.4342833 0.2715991), wk = 0.0041841 k( 26) = ( 0.2829157 -0.4523784 0.2829157), wk = 0.0041841 k( 27) = ( 0.2942323 -0.4704736 0.2942323), wk = 0.0041841 k( 28) = ( 0.3055489 -0.4885687 0.3055489), wk = 0.0041841 k( 29) = ( 0.3168656 -0.5066638 0.3168656), wk = 0.0041841 k( 30) = ( 0.3281822 -0.5247590 0.3281822), wk = 0.0041841 k( 31) = ( 0.3394988 -0.5428541 0.3394988), wk = 0.0041841 k( 32) = ( 0.3508154 -0.5609492 0.3508154), wk = 0.0041841 k( 33) = ( 0.3621321 -0.5790444 0.3621321), wk = 0.0041841 k( 34) = ( 0.3734487 -0.5971395 0.3734487), wk = 0.0041841 k( 35) = ( 0.3847653 -0.6152347 0.3847653), wk = 0.0041841 k( 36) = ( 0.3847653 -0.6152347 0.3847653), wk = 0.0041841 k( 37) = ( 0.3924476 -0.6075523 0.3924476), wk = 0.0041841 k( 38) = ( 0.4001300 -0.5998700 0.4001300), wk = 0.0041841 k( 39) = ( 0.4078123 -0.5921877 0.4078123), wk = 0.0041841 k( 40) = ( 0.4154946 -0.5845054 0.4154946), wk = 0.0041841 k( 41) = ( 0.4231769 -0.5768231 0.4231769), wk = 0.0041841 k( 42) = ( 0.4308592 -0.5691408 0.4308592), wk = 0.0041841 k( 43) = ( 0.4385415 -0.5614585 0.4385415), wk = 0.0041841 k( 44) = ( 0.4462238 -0.5537762 0.4462238), wk = 0.0041841 k( 45) = ( 0.4539061 -0.5460939 0.4539061), wk = 0.0041841 k( 46) = ( 0.4615884 -0.5384115 0.4615884), wk = 0.0041841 k( 47) = ( 0.4692708 -0.5307292 0.4692708), wk = 0.0041841 k( 48) = ( 0.4769531 -0.5230469 0.4769531), wk = 0.0041841 k( 49) = ( 0.4846354 -0.5153646 0.4846354), wk = 0.0041841 k( 50) = ( 0.4923177 -0.5076823 0.4923177), wk = 0.0041841 k( 51) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041841 k( 52) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041841 k( 53) = ( 0.4934152 -0.4780134 0.4934152), wk = 0.0041841 k( 54) = ( 0.4868303 -0.4560268 0.4868303), wk = 0.0041841 k( 55) = ( 0.4802455 -0.4340402 0.4802455), wk = 0.0041841 k( 56) = ( 0.4736607 -0.4120536 0.4736606), wk = 0.0041841 k( 57) = ( 0.4670758 -0.3900671 0.4670758), wk = 0.0041841 k( 58) = ( 0.4604910 -0.3680805 0.4604910), wk = 0.0041841 k( 59) = ( 0.4539061 -0.3460939 0.4539061), wk = 0.0041841 k( 60) = ( 0.4473213 -0.3241073 0.4473213), wk = 0.0041841 k( 61) = ( 0.4407365 -0.3021207 0.4407365), wk = 0.0041841 k( 62) = ( 0.4341516 -0.2801341 0.4341516), wk = 0.0041841 k( 63) = ( 0.4275668 -0.2581475 0.4275668), wk = 0.0041841 k( 64) = ( 0.4209819 -0.2361609 0.4209819), wk = 0.0041841 k( 65) = ( 0.4143971 -0.2141743 0.4143971), wk = 0.0041841 k( 66) = ( 0.4078123 -0.1921877 0.4078123), wk = 0.0041841 k( 67) = ( 0.4012274 -0.1702011 0.4012274), wk = 0.0041841 k( 68) = ( 0.3946426 -0.1482146 0.3946426), wk = 0.0041841 k( 69) = ( 0.3880577 -0.1262280 0.3880577), wk = 0.0041841 k( 70) = ( 0.3814729 -0.1042414 0.3814729), wk = 0.0041841 k( 71) = ( 0.3748881 -0.0822548 0.3748881), wk = 0.0041841 k( 72) = ( 0.3683032 -0.0602682 0.3683032), wk = 0.0041841 k( 73) = ( 0.3617184 -0.0382816 0.3617184), wk = 0.0041841 k( 74) = ( 0.3551336 -0.0162950 0.3551336), wk = 0.0041841 k( 75) = ( 0.3485487 0.0056916 0.3485487), wk = 0.0041841 k( 76) = ( 0.3419639 0.0276782 0.3419639), wk = 0.0041841 k( 77) = ( 0.3353791 0.0496648 0.3353790), wk = 0.0041841 k( 78) = ( 0.3287942 0.0716514 0.3287942), wk = 0.0041841 k( 79) = ( 0.3222094 0.0936379 0.3222094), wk = 0.0041841 k( 80) = ( 0.3156245 0.1156245 0.3156245), wk = 0.0041841 k( 81) = ( 0.3090397 0.1376111 0.3090397), wk = 0.0041841 k( 82) = ( 0.3024549 0.1595977 0.3024549), wk = 0.0041841 k( 83) = ( 0.2958700 0.1815843 0.2958700), wk = 0.0041841 k( 84) = ( 0.2892852 0.2035709 0.2892852), wk = 0.0041841 k( 85) = ( 0.2827003 0.2255575 0.2827003), wk = 0.0041841 k( 86) = ( 0.2761155 0.2475441 0.2761155), wk = 0.0041841 k( 87) = ( 0.2695307 0.2695307 0.2695307), wk = 0.0041841 k( 88) = ( 0.2695307 0.2695307 0.2695307), wk = 0.0041841 k( 89) = ( 0.2616033 0.2616033 0.2616033), wk = 0.0041841 k( 90) = ( 0.2536759 0.2536759 0.2536759), wk = 0.0041841 k( 91) = ( 0.2457486 0.2457485 0.2457485), wk = 0.0041841 k( 92) = ( 0.2378212 0.2378212 0.2378212), wk = 0.0041841 k( 93) = ( 0.2298938 0.2298938 0.2298938), wk = 0.0041841 k( 94) = ( 0.2219664 0.2219664 0.2219664), wk = 0.0041841 k( 95) = ( 0.2140391 0.2140391 0.2140391), wk = 0.0041841 k( 96) = ( 0.2061117 0.2061117 0.2061117), wk = 0.0041841 k( 97) = ( 0.1981843 0.1981843 0.1981843), wk = 0.0041841 k( 98) = ( 0.1902569 0.1902569 0.1902569), wk = 0.0041841 k( 99) = ( 0.1823296 0.1823296 0.1823296), wk = 0.0041841 k( 100) = ( 0.1744022 0.1744022 0.1744022), wk = 0.0041841 k( 101) = ( 0.1664748 0.1664748 0.1664748), wk = 0.0041841 k( 102) = ( 0.1585475 0.1585475 0.1585474), wk = 0.0041841 k( 103) = ( 0.1506201 0.1506201 0.1506201), wk = 0.0041841 k( 104) = ( 0.1426927 0.1426927 0.1426927), wk = 0.0041841 k( 105) = ( 0.1347653 0.1347653 0.1347653), wk = 0.0041841 k( 106) = ( 0.1268380 0.1268380 0.1268380), wk = 0.0041841 k( 107) = ( 0.1189106 0.1189106 0.1189106), wk = 0.0041841 k( 108) = ( 0.1109832 0.1109832 0.1109832), wk = 0.0041841 k( 109) = ( 0.1030558 0.1030558 0.1030558), wk = 0.0041841 k( 110) = ( 0.0951285 0.0951285 0.0951285), wk = 0.0041841 k( 111) = ( 0.0872011 0.0872011 0.0872011), wk = 0.0041841 k( 112) = ( 0.0792737 0.0792737 0.0792737), wk = 0.0041841 k( 113) = ( 0.0713464 0.0713463 0.0713464), wk = 0.0041841 k( 114) = ( 0.0634190 0.0634190 0.0634190), wk = 0.0041841 k( 115) = ( 0.0554916 0.0554916 0.0554916), wk = 0.0041841 k( 116) = ( 0.0475642 0.0475642 0.0475642), wk = 0.0041841 k( 117) = ( 0.0396369 0.0396369 0.0396369), wk = 0.0041841 k( 118) = ( 0.0317095 0.0317095 0.0317095), wk = 0.0041841 k( 119) = ( 0.0237821 0.0237821 0.0237821), wk = 0.0041841 k( 120) = ( 0.0158548 0.0158547 0.0158548), wk = 0.0041841 k( 121) = ( 0.0079274 0.0079274 0.0079274), wk = 0.0041841 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 124) = ( 0.0172414 -0.0172414 -0.0000000), wk = 0.0041841 k( 125) = ( 0.0344828 -0.0344828 -0.0000000), wk = 0.0041841 k( 126) = ( 0.0517241 -0.0517241 -0.0000000), wk = 0.0041841 k( 127) = ( 0.0689655 -0.0689655 -0.0000000), wk = 0.0041841 k( 128) = ( 0.0862069 -0.0862069 -0.0000000), wk = 0.0041841 k( 129) = ( 0.1034483 -0.1034483 -0.0000000), wk = 0.0041841 k( 130) = ( 0.1206897 -0.1206897 -0.0000000), wk = 0.0041841 k( 131) = ( 0.1379310 -0.1379310 -0.0000000), wk = 0.0041841 k( 132) = ( 0.1551724 -0.1551724 -0.0000000), wk = 0.0041841 k( 133) = ( 0.1724138 -0.1724138 -0.0000000), wk = 0.0041841 k( 134) = ( 0.1896552 -0.1896552 -0.0000000), wk = 0.0041841 k( 135) = ( 0.2068966 -0.2068965 -0.0000000), wk = 0.0041841 k( 136) = ( 0.2241379 -0.2241379 -0.0000000), wk = 0.0041841 k( 137) = ( 0.2413793 -0.2413793 -0.0000000), wk = 0.0041841 k( 138) = ( 0.2586207 -0.2586207 -0.0000000), wk = 0.0041841 k( 139) = ( 0.2758621 -0.2758621 0.0000000), wk = 0.0041841 k( 140) = ( 0.2931034 -0.2931034 0.0000000), wk = 0.0041841 k( 141) = ( 0.3103448 -0.3103448 -0.0000000), wk = 0.0041841 k( 142) = ( 0.3275862 -0.3275862 -0.0000000), wk = 0.0041841 k( 143) = ( 0.3448276 -0.3448276 -0.0000000), wk = 0.0041841 k( 144) = ( 0.3620690 -0.3620690 -0.0000000), wk = 0.0041841 k( 145) = ( 0.3793103 -0.3793103 -0.0000000), wk = 0.0041841 k( 146) = ( 0.3965517 -0.3965517 -0.0000000), wk = 0.0041841 k( 147) = ( 0.4137931 -0.4137931 -0.0000000), wk = 0.0041841 k( 148) = ( 0.4310345 -0.4310345 -0.0000000), wk = 0.0041841 k( 149) = ( 0.4482759 -0.4482759 -0.0000000), wk = 0.0041841 k( 150) = ( 0.4655172 -0.4655172 -0.0000000), wk = 0.0041841 k( 151) = ( 0.4827586 -0.4827586 -0.0000000), wk = 0.0041841 k( 152) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0041841 k( 153) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0041841 k( 154) = ( 0.5064019 -0.4935981 -0.0213759), wk = 0.0041841 k( 155) = ( 0.5128038 -0.4871961 -0.0427517), wk = 0.0041841 k( 156) = ( 0.5192058 -0.4807942 -0.0641276), wk = 0.0041841 k( 157) = ( 0.5256077 -0.4743923 -0.0855034), wk = 0.0041841 k( 158) = ( 0.5320096 -0.4679904 -0.1068793), wk = 0.0041841 k( 159) = ( 0.5384115 -0.4615884 -0.1282551), wk = 0.0041841 k( 160) = ( 0.5448135 -0.4551865 -0.1496310), wk = 0.0041841 k( 161) = ( 0.5512154 -0.4487846 -0.1710068), wk = 0.0041841 k( 162) = ( 0.5576173 -0.4423827 -0.1923827), wk = 0.0041841 k( 163) = ( 0.5640193 -0.4359807 -0.2137585), wk = 0.0041841 k( 164) = ( 0.5704212 -0.4295788 -0.2351344), wk = 0.0041841 k( 165) = ( 0.5768231 -0.4231769 -0.2565102), wk = 0.0041841 k( 166) = ( 0.5832250 -0.4167750 -0.2778861), wk = 0.0041841 k( 167) = ( 0.5896270 -0.4103730 -0.2992619), wk = 0.0041841 k( 168) = ( 0.5960289 -0.4039711 -0.3206378), wk = 0.0041841 k( 169) = ( 0.6024308 -0.3975692 -0.3420136), wk = 0.0041841 k( 170) = ( 0.6088327 -0.3911673 -0.3633895), wk = 0.0041841 k( 171) = ( 0.6152347 -0.3847653 -0.3847653), wk = 0.0041841 k( 172) = ( 0.6152347 -0.3847653 -0.3847653), wk = 0.0041841 k( 173) = ( 0.6229170 -0.3770830 -0.3770830), wk = 0.0041841 k( 174) = ( 0.6305993 -0.3694007 -0.3694007), wk = 0.0041841 k( 175) = ( 0.6382816 -0.3617184 -0.3617184), wk = 0.0041841 k( 176) = ( 0.6459639 -0.3540361 -0.3540361), wk = 0.0041841 k( 177) = ( 0.6536462 -0.3463538 -0.3463538), wk = 0.0041841 k( 178) = ( 0.6613285 -0.3386715 -0.3386715), wk = 0.0041841 k( 179) = ( 0.6690108 -0.3309892 -0.3309892), wk = 0.0041841 k( 180) = ( 0.6766931 -0.3233068 -0.3233068), wk = 0.0041841 k( 181) = ( 0.6843755 -0.3156245 -0.3156245), wk = 0.0041841 k( 182) = ( 0.6920578 -0.3079422 -0.3079422), wk = 0.0041841 k( 183) = ( 0.6997401 -0.3002599 -0.3002599), wk = 0.0041841 k( 184) = ( 0.7074224 -0.2925776 -0.2925776), wk = 0.0041841 k( 185) = ( 0.7151047 -0.2848953 -0.2848953), wk = 0.0041841 k( 186) = ( 0.7227870 -0.2772130 -0.2772130), wk = 0.0041841 k( 187) = ( 0.7304693 -0.2695307 -0.2695307), wk = 0.0041841 k( 188) = ( 0.7304693 -0.2695307 -0.2695307), wk = 0.0041841 k( 189) = ( 0.7194946 -0.2566959 -0.2566959), wk = 0.0041841 k( 190) = ( 0.7085199 -0.2438611 -0.2438611), wk = 0.0041841 k( 191) = ( 0.6975451 -0.2310263 -0.2310263), wk = 0.0041841 k( 192) = ( 0.6865704 -0.2181915 -0.2181915), wk = 0.0041841 k( 193) = ( 0.6755957 -0.2053567 -0.2053567), wk = 0.0041841 k( 194) = ( 0.6646209 -0.1925219 -0.1925219), wk = 0.0041841 k( 195) = ( 0.6536462 -0.1796871 -0.1796871), wk = 0.0041841 k( 196) = ( 0.6426715 -0.1668523 -0.1668523), wk = 0.0041841 k( 197) = ( 0.6316968 -0.1540175 -0.1540175), wk = 0.0041841 k( 198) = ( 0.6207220 -0.1411827 -0.1411827), wk = 0.0041841 k( 199) = ( 0.6097473 -0.1283479 -0.1283479), wk = 0.0041841 k( 200) = ( 0.5987726 -0.1155131 -0.1155131), wk = 0.0041841 k( 201) = ( 0.5877978 -0.1026784 -0.1026784), wk = 0.0041841 k( 202) = ( 0.5768231 -0.0898436 -0.0898436), wk = 0.0041841 k( 203) = ( 0.5658484 -0.0770088 -0.0770088), wk = 0.0041841 k( 204) = ( 0.5548736 -0.0641740 -0.0641740), wk = 0.0041841 k( 205) = ( 0.5438989 -0.0513392 -0.0513392), wk = 0.0041841 k( 206) = ( 0.5329242 -0.0385044 -0.0385044), wk = 0.0041841 k( 207) = ( 0.5219495 -0.0256696 -0.0256696), wk = 0.0041841 k( 208) = ( 0.5109747 -0.0128348 -0.0128348), wk = 0.0041841 k( 209) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0041841 k( 210) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0041841 k( 211) = ( 0.5000000 -0.0172414 0.0172414), wk = 0.0041841 k( 212) = ( 0.5000000 -0.0344828 0.0344828), wk = 0.0041841 k( 213) = ( 0.5000000 -0.0517241 0.0517241), wk = 0.0041841 k( 214) = ( 0.5000000 -0.0689655 0.0689655), wk = 0.0041841 k( 215) = ( 0.5000000 -0.0862069 0.0862069), wk = 0.0041841 k( 216) = ( 0.5000000 -0.1034483 0.1034483), wk = 0.0041841 k( 217) = ( 0.5000000 -0.1206897 0.1206897), wk = 0.0041841 k( 218) = ( 0.5000000 -0.1379310 0.1379310), wk = 0.0041841 k( 219) = ( 0.5000000 -0.1551724 0.1551724), wk = 0.0041841 k( 220) = ( 0.5000000 -0.1724138 0.1724138), wk = 0.0041841 k( 221) = ( 0.5000000 -0.1896552 0.1896552), wk = 0.0041841 k( 222) = ( 0.5000000 -0.2068966 0.2068966), wk = 0.0041841 k( 223) = ( 0.5000000 -0.2241379 0.2241379), wk = 0.0041841 k( 224) = ( 0.5000000 -0.2413793 0.2413793), wk = 0.0041841 k( 225) = ( 0.5000000 -0.2586207 0.2586207), wk = 0.0041841 k( 226) = ( 0.5000000 -0.2758621 0.2758621), wk = 0.0041841 k( 227) = ( 0.5000000 -0.2931034 0.2931034), wk = 0.0041841 k( 228) = ( 0.5000000 -0.3103448 0.3103448), wk = 0.0041841 k( 229) = ( 0.5000000 -0.3275862 0.3275862), wk = 0.0041841 k( 230) = ( 0.5000000 -0.3448276 0.3448276), wk = 0.0041841 k( 231) = ( 0.5000000 -0.3620690 0.3620690), wk = 0.0041841 k( 232) = ( 0.5000000 -0.3793103 0.3793103), wk = 0.0041841 k( 233) = ( 0.5000000 -0.3965517 0.3965517), wk = 0.0041841 k( 234) = ( 0.5000000 -0.4137931 0.4137931), wk = 0.0041841 k( 235) = ( 0.5000000 -0.4310345 0.4310345), wk = 0.0041841 k( 236) = ( 0.5000000 -0.4482759 0.4482759), wk = 0.0041841 k( 237) = ( 0.5000000 -0.4655172 0.4655172), wk = 0.0041841 k( 238) = ( 0.5000000 -0.4827586 0.4827586), wk = 0.0041841 k( 239) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041841 Dense grid: 183663 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 80103 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 278, 76) NL pseudopotentials 0.61 Mb ( 139, 288) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2550) G-vector shells 0.02 Mb ( 2252) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 278, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.67 Mb ( 288, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./B4CCl6O.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 7.3 secs Computing kpt #: 3 total cpu time spent up to now is 9.3 secs Computing kpt #: 4 total cpu time spent up to now is 11.2 secs Computing kpt #: 5 total cpu time spent up to now is 13.4 secs Computing kpt #: 6 total cpu time spent up to now is 15.5 secs Computing kpt #: 7 total cpu time spent up to now is 17.8 secs Computing kpt #: 8 total cpu time spent up to now is 19.8 secs Computing kpt #: 9 total cpu time spent up to now is 22.0 secs Computing kpt #: 10 total cpu time spent up to now is 24.1 secs Computing kpt #: 11 total cpu time spent up to now is 26.3 secs Computing kpt #: 12 total cpu time spent up to now is 28.3 secs Computing kpt #: 13 total cpu time spent up to now is 30.4 secs Computing kpt #: 14 total cpu time spent up to now is 32.2 secs Computing kpt #: 15 total cpu time spent up to now is 34.3 secs Computing kpt #: 16 total cpu time spent up to now is 36.5 secs Computing kpt #: 17 total cpu time spent up to now is 38.6 secs Computing kpt #: 18 total cpu time spent up to now is 41.2 secs Computing kpt #: 19 total cpu time spent up to now is 43.7 secs Computing kpt #: 20 total cpu time spent up to now is 46.0 secs Computing kpt #: 21 total cpu time spent up to now is 48.2 secs Computing kpt #: 22 total cpu time spent up to now is 50.7 secs Computing kpt #: 23 total cpu time spent up to now is 53.5 secs Computing kpt #: 24 total cpu time spent up to now is 56.5 secs Computing kpt #: 25 total cpu time spent up to now is 58.9 secs Computing kpt #: 26 total cpu time spent up to now is 61.3 secs Computing kpt #: 27 total cpu time spent up to now is 64.0 secs Computing kpt #: 28 total cpu time spent up to now is 66.1 secs Computing kpt #: 29 total cpu time spent up to now is 68.3 secs Computing kpt #: 30 total cpu time spent up to now is 70.4 secs Computing kpt #: 31 total cpu time spent up to now is 72.8 secs Computing kpt #: 32 total cpu time spent up to now is 75.3 secs Computing kpt #: 33 total cpu time spent up to now is 77.7 secs Computing kpt #: 34 total cpu time spent up to now is 80.0 secs Computing kpt #: 35 total cpu time spent up to now is 82.4 secs Computing kpt #: 36 total cpu time spent up to now is 84.9 secs Computing kpt #: 37 total cpu time spent up to now is 87.1 secs Computing kpt #: 38 total cpu time spent up to now is 89.3 secs Computing kpt #: 39 total cpu time spent up to now is 91.3 secs Computing kpt #: 40 total cpu time spent up to now is 93.4 secs Computing kpt #: 41 total cpu time spent up to now is 95.4 secs Computing kpt #: 42 total cpu time spent up to now is 97.3 secs Computing kpt #: 43 total cpu time spent up to now is 99.3 secs Computing kpt #: 44 total cpu time spent up to now is 101.4 secs Computing kpt #: 45 total cpu time spent up to now is 103.6 secs Computing kpt #: 46 total cpu time spent up to now is 105.6 secs Computing kpt #: 47 total cpu time spent up to now is 107.6 secs Computing kpt #: 48 total cpu time spent up to now is 109.8 secs Computing kpt #: 49 total cpu time spent up to now is 111.7 secs Computing kpt #: 50 total cpu time spent up to now is 114.0 secs Computing kpt #: 51 total cpu time spent up to now is 116.0 secs Computing kpt #: 52 total cpu time spent up to now is 118.1 secs Computing kpt #: 53 total cpu time spent up to now is 120.5 secs Computing kpt #: 54 total cpu time spent up to now is 122.6 secs Computing kpt #: 55 total cpu time spent up to now is 124.7 secs Computing kpt #: 56 total cpu time spent up to now is 126.7 secs Computing kpt #: 57 total cpu time spent up to now is 128.7 secs Computing kpt #: 58 total cpu time spent up to now is 130.8 secs Computing kpt #: 59 total cpu time spent up to now is 132.9 secs Computing kpt #: 60 total cpu time spent up to now is 135.0 secs Computing kpt #: 61 total cpu time spent up to now is 137.2 secs Computing kpt #: 62 total cpu time spent up to now is 139.5 secs Computing kpt #: 63 total cpu time spent up to now is 141.6 secs Computing kpt #: 64 total cpu time spent up to now is 143.9 secs Computing kpt #: 65 total cpu time spent up to now is 146.3 secs Computing kpt #: 66 total cpu time spent up to now is 148.6 secs Computing kpt #: 67 total cpu time spent up to now is 150.6 secs Computing kpt #: 68 total cpu time spent up to now is 152.7 secs Computing kpt #: 69 total cpu time spent up to now is 154.7 secs Computing kpt #: 70 total cpu time spent up to now is 156.7 secs Computing kpt #: 71 total cpu time spent up to now is 158.8 secs Computing kpt #: 72 total cpu time spent up to now is 161.0 secs Computing kpt #: 73 total cpu time spent up to now is 163.3 secs Computing kpt #: 74 total cpu time spent up to now is 165.6 secs Computing kpt #: 75 total cpu time spent up to now is 167.7 secs Computing kpt #: 76 total cpu time spent up to now is 169.8 secs Computing kpt #: 77 total cpu time spent up to now is 172.0 secs Computing kpt #: 78 total cpu time spent up to now is 174.4 secs Computing kpt #: 79 total cpu time spent up to now is 176.5 secs Computing kpt #: 80 total cpu time spent up to now is 179.0 secs Computing kpt #: 81 total cpu time spent up to now is 181.3 secs Computing kpt #: 82 total cpu time spent up to now is 183.5 secs Computing kpt #: 83 total cpu time spent up to now is 185.6 secs Computing kpt #: 84 total cpu time spent up to now is 187.8 secs Computing kpt #: 85 total cpu time spent up to now is 190.0 secs Computing kpt #: 86 total cpu time spent up to now is 192.2 secs Computing kpt #: 87 total cpu time spent up to now is 194.5 secs Computing kpt #: 88 total cpu time spent up to now is 196.8 secs Computing kpt #: 89 total cpu time spent up to now is 199.3 secs Computing kpt #: 90 total cpu time spent up to now is 201.6 secs Computing kpt #: 91 total cpu time spent up to now is 204.1 secs Computing kpt #: 92 total cpu time spent up to now is 206.6 secs Computing kpt #: 93 total cpu time spent up to now is 208.9 secs Computing kpt #: 94 total cpu time spent up to now is 211.1 secs Computing kpt #: 95 total cpu time spent up to now is 213.1 secs Computing kpt #: 96 total cpu time spent up to now is 215.3 secs Computing kpt #: 97 total cpu time spent up to now is 217.5 secs Computing kpt #: 98 total cpu time spent up to now is 219.6 secs Computing kpt #: 99 total cpu time spent up to now is 221.8 secs Computing kpt #: 100 total cpu time spent up to now is 223.9 secs Computing kpt #: 101 total cpu time spent up to now is 225.8 secs Computing kpt #: 102 total cpu time spent up to now is 227.9 secs Computing kpt #: 103 total cpu time spent up to now is 229.8 secs Computing kpt #: 104 total cpu time spent up to now is 231.9 secs Computing kpt #: 105 total cpu time spent up to now is 234.1 secs Computing kpt #: 106 total cpu time 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300.5 secs Computing kpt #: 137 total cpu time spent up to now is 302.9 secs Computing kpt #: 138 total cpu time spent up to now is 305.4 secs Computing kpt #: 139 total cpu time spent up to now is 307.9 secs Computing kpt #: 140 total cpu time spent up to now is 310.6 secs Computing kpt #: 141 total cpu time spent up to now is 313.3 secs Computing kpt #: 142 total cpu time spent up to now is 315.7 secs Computing kpt #: 143 total cpu time spent up to now is 317.9 secs Computing kpt #: 144 total cpu time spent up to now is 320.3 secs Computing kpt #: 145 total cpu time spent up to now is 322.8 secs Computing kpt #: 146 total cpu time spent up to now is 325.7 secs Computing kpt #: 147 total cpu time spent up to now is 328.8 secs Computing kpt #: 148 total cpu time spent up to now is 334.5 secs Computing kpt #: 149 total cpu time spent up to now is 337.8 secs Computing kpt #: 150 total cpu time spent up to now is 340.7 secs Computing kpt #: 151 total cpu time spent up to now is 343.1 secs Computing kpt #: 152 total cpu time spent up to now is 345.6 secs Computing kpt #: 153 total cpu time spent up to now is 348.7 secs Computing kpt #: 154 total cpu time spent up to now is 351.1 secs Computing kpt #: 155 total cpu time spent up to now is 354.2 secs Computing kpt #: 156 total cpu time spent up to now is 356.6 secs Computing kpt #: 157 total cpu time spent up to now is 359.2 secs Computing kpt #: 158 total cpu time spent up to now is 361.5 secs Computing kpt #: 159 total cpu time spent up to now is 364.5 secs Computing kpt #: 160 total cpu time spent up to now is 366.9 secs Computing kpt #: 161 total cpu time spent up to now is 369.2 secs Computing kpt #: 162 total cpu time spent up to now is 371.5 secs Computing kpt #: 163 total cpu time spent up to now is 374.1 secs Computing kpt #: 164 total cpu time spent up to now is 376.3 secs Computing kpt #: 165 total cpu time spent up to now is 378.3 secs Computing kpt #: 166 total cpu time spent up to now is 380.4 secs Computing kpt #: 167 total cpu time spent up to now is 382.3 secs Computing kpt #: 168 total cpu time spent up to now is 384.4 secs Computing kpt #: 169 total cpu time spent up to now is 386.4 secs Computing kpt #: 170 total cpu time spent up to now is 388.6 secs Computing kpt #: 171 total cpu time spent up to now is 390.8 secs Computing kpt #: 172 total cpu time spent up to now is 393.3 secs Computing kpt #: 173 total cpu time spent up to now is 395.4 secs Computing kpt #: 174 total cpu time spent up to now is 397.4 secs Computing kpt #: 175 total cpu time spent up to now is 399.6 secs Computing kpt #: 176 total cpu time spent up to now is 401.7 secs Computing kpt #: 177 total cpu time spent up to now is 404.0 secs Computing kpt #: 178 total cpu time spent up to now is 406.0 secs Computing kpt #: 179 total cpu time spent up to now is 408.2 secs Computing kpt #: 180 total cpu time spent up to now is 410.4 secs Computing kpt #: 181 total cpu time spent up to now is 412.7 secs Computing kpt #: 182 total cpu time spent up to now is 415.0 secs Computing kpt #: 183 total cpu time spent up to now is 417.2 secs Computing kpt #: 184 total cpu time spent up to now is 419.4 secs Computing kpt #: 185 total cpu time spent up to now is 421.7 secs Computing kpt #: 186 total cpu time spent up to now is 424.1 secs Computing kpt #: 187 total cpu time spent up to now is 426.5 secs Computing kpt #: 188 total cpu time spent up to now is 428.7 secs Computing kpt #: 189 total cpu time spent up to now is 431.1 secs Computing kpt #: 190 total cpu time spent up to now is 433.6 secs Computing kpt #: 191 total cpu time spent up to now is 435.9 secs Computing kpt #: 192 total cpu time spent up to now is 438.0 secs Computing kpt #: 193 total cpu time spent up to now is 440.2 secs Computing kpt #: 194 total cpu time spent up to now is 442.1 secs Computing kpt #: 195 total cpu time spent up to now is 444.1 secs Computing kpt #: 196 total cpu time spent up to now is 446.6 secs Computing kpt #: 197 total cpu time spent up to now is 448.6 secs Computing kpt #: 198 total cpu time spent up to now is 450.8 secs Computing kpt #: 199 total cpu time spent up to now is 453.2 secs Computing kpt #: 200 total cpu time spent up to now is 455.5 secs Computing kpt #: 201 total cpu time spent up to now is 457.9 secs Computing kpt #: 202 total cpu time spent up to now is 460.4 secs Computing kpt #: 203 total cpu time spent up to now is 462.8 secs Computing kpt #: 204 total cpu time spent up to now is 465.3 secs Computing kpt #: 205 total cpu time spent up to now is 468.1 secs Computing kpt #: 206 total cpu time spent up to now is 470.6 secs Computing kpt #: 207 total cpu time spent up to now is 473.2 secs Computing kpt #: 208 total cpu time spent up to now is 475.8 secs Computing kpt #: 209 total cpu time spent up to now is 478.4 secs Computing kpt #: 210 total cpu time spent up to now is 481.2 secs Computing kpt #: 211 total cpu time spent up to now is 483.8 secs Computing kpt #: 212 total cpu time spent up to now is 486.6 secs Computing kpt #: 213 total cpu time spent up to now is 489.4 secs Computing kpt #: 214 total cpu time spent up to now is 492.1 secs Computing kpt #: 215 total cpu time spent up to now is 494.8 secs Computing kpt #: 216 total cpu time spent up to now is 497.4 secs Computing kpt #: 217 total cpu time spent up to now is 499.8 secs Computing kpt #: 218 total cpu time spent up to now is 502.4 secs Computing kpt #: 219 total cpu time spent up to now is 504.4 secs Computing kpt #: 220 total cpu time spent up to now is 506.6 secs Computing kpt #: 221 total cpu time spent up to now is 508.9 secs Computing kpt #: 222 total cpu time spent up to now is 511.1 secs Computing kpt #: 223 total cpu time spent up to now is 513.4 secs Computing kpt #: 224 total cpu time spent up to now is 515.6 secs Computing kpt #: 225 total cpu time spent up to now is 517.7 secs Computing kpt #: 226 total cpu time spent up to now is 519.8 secs Computing kpt #: 227 total cpu time spent up to now is 521.9 secs Computing kpt #: 228 total cpu time spent up to now is 524.1 secs Computing kpt #: 229 total cpu time spent up to now is 526.4 secs Computing kpt #: 230 total cpu time spent up to now is 528.4 secs Computing kpt #: 231 total cpu time spent up to now is 530.4 secs Computing kpt #: 232 total cpu time spent up to now is 532.5 secs Computing kpt #: 233 total cpu time spent up to now is 534.6 secs Computing kpt #: 234 total cpu time spent up to now is 536.6 secs Computing kpt #: 235 total cpu time spent up to now is 538.6 secs Computing kpt #: 236 total cpu time spent up to now is 540.9 secs Computing kpt #: 237 total cpu time spent up to now is 543.0 secs Computing kpt #: 238 total cpu time spent up to now is 545.5 secs Computing kpt #: 239 total cpu time spent up to now is 547.6 secs ethr = 1.56E-08, avg # of iterations = 19.9 total cpu time spent up to now is 547.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10007 PWs) bands (ev): -23.7934 -23.7934 -15.0155 -15.0155 -14.7365 -14.7365 -14.7365 -14.7365 -13.9134 -13.9134 -13.8863 -13.8863 -13.8863 -13.8863 -9.6136 -9.6136 -7.0749 -7.0749 -6.2869 -6.2869 -6.2752 -6.2752 -5.8573 -5.8573 -5.5683 -5.5683 -5.5665 -5.5665 -4.2777 -4.2777 -3.6137 -3.6137 -3.6136 -3.6136 -3.1447 -3.1447 -3.1295 -3.1295 -2.8708 -2.8708 -2.6682 -2.6682 -1.9960 -1.9960 -1.9680 -1.9680 -1.3990 -1.3990 -1.3894 -1.3894 -1.1779 -1.1779 -0.7376 -0.7376 -0.6880 -0.6880 -0.5401 -0.5401 -0.5162 -0.5162 -0.2225 -0.2225 -0.2041 -0.2041 4.3079 4.3079 4.3170 4.3170 4.5913 4.5913 4.6027 4.6027 5.3707 5.3707 6.1085 6.1085 k = 0.0113-0.0154 0.0098 ( 10003 PWs) bands (ev): -23.7934 -23.7934 -15.0153 -15.0153 -14.7366 -14.7366 -14.7366 -14.7366 -13.9142 -13.9141 -13.8862 -13.8862 -13.8856 -13.8856 -9.6136 -9.6136 -7.0751 -7.0751 -6.2867 -6.2866 -6.2749 -6.2749 -5.8573 -5.8571 -5.5686 -5.5683 -5.5667 -5.5666 -4.2778 -4.2777 -3.6138 -3.6136 -3.6132 -3.6132 -3.1449 -3.1446 -3.1299 -3.1290 -2.8713 -2.8711 -2.6681 -2.6663 -1.9967 -1.9958 -1.9682 -1.9681 -1.3998 -1.3996 -1.3902 -1.3897 -1.1769 -1.1760 -0.7388 -0.7380 -0.6890 -0.6887 -0.5410 -0.5393 -0.5163 -0.5162 -0.2225 -0.2222 -0.2040 -0.2036 4.3073 4.3073 4.3164 4.3164 4.5913 4.5913 4.6027 4.6027 5.3709 5.3709 6.1112 6.1112 k = 0.0226-0.0308 0.0195 ( 9988 PWs) bands (ev): -23.7934 -23.7934 -15.0146 -15.0146 -14.7371 -14.7370 -14.7369 -14.7369 -13.9162 -13.9161 -13.8861 -13.8861 -13.8837 -13.8836 -9.6136 -9.6136 -7.0756 -7.0755 -6.2860 -6.2857 -6.2741 -6.2741 -5.8572 -5.8567 -5.5694 -5.5687 -5.5672 -5.5670 -4.2781 -4.2780 -3.6140 -3.6136 -3.6122 -3.6122 -3.1451 -3.1445 -3.1302 -3.1285 -2.8725 -2.8721 -2.6659 -2.6625 -1.9979 -1.9963 -1.9689 -1.9686 -1.4023 -1.4022 -1.3912 -1.3908 -1.1732 -1.1715 -0.7414 -0.7399 -0.6914 -0.6908 -0.5419 -0.5386 -0.5163 -0.5163 -0.2220 -0.2215 -0.2033 -0.2026 4.3055 4.3056 4.3145 4.3146 4.5913 4.5914 4.6029 4.6029 5.3713 5.3714 6.1193 6.1194 k = 0.0339-0.0462 0.0293 ( 9988 PWs) bands (ev): -23.7934 -23.7934 -15.0135 -15.0135 -14.7378 -14.7378 -14.7374 -14.7374 -13.9190 -13.9190 -13.8860 -13.8860 -13.8810 -13.8809 -9.6135 -9.6135 -7.0765 -7.0762 -6.2848 -6.2844 -6.2728 -6.2727 -5.8569 -5.8562 -5.5707 -5.5696 -5.5679 -5.5676 -4.2786 -4.2785 -3.6142 -3.6137 -3.6105 -3.6105 -3.1453 -3.1445 -3.1301 -3.1280 -2.8746 -2.8740 -2.6618 -2.6566 -1.9997 -1.9977 -1.9699 -1.9690 -1.4073 -1.4064 -1.3917 -1.3917 -1.1673 -1.1649 -0.7455 -0.7434 -0.6954 -0.6945 -0.5429 -0.5379 -0.5164 -0.5163 -0.2211 -0.2205 -0.2021 -0.2010 4.3026 4.3027 4.3116 4.3116 4.5912 4.5914 4.6034 4.6034 5.3721 5.3723 6.1327 6.1329 k = 0.0453-0.0617 0.0390 ( 9986 PWs) bands (ev): -23.7934 -23.7934 -15.0120 -15.0120 -14.7388 -14.7388 -14.7381 -14.7381 -13.9224 -13.9224 -13.8857 -13.8857 -13.8778 -13.8777 -9.6135 -9.6135 -7.0776 -7.0772 -6.2832 -6.2827 -6.2708 -6.2707 -5.8564 -5.8555 -5.5724 -5.5710 -5.5688 -5.5684 -4.2792 -4.2792 -3.6144 -3.6137 -3.6083 -3.6083 -3.1455 -3.1449 -3.1296 -3.1272 -2.8773 -2.8766 -2.6559 -2.6490 -2.0023 -2.0004 -1.9710 -1.9693 -1.4142 -1.4122 -1.3921 -1.3915 -1.1597 -1.1568 -0.7510 -0.7482 -0.7008 -0.6997 -0.5440 -0.5375 -0.5166 -0.5164 -0.2198 -0.2192 -0.2003 -0.1987 4.2987 4.2988 4.3076 4.3077 4.5908 4.5910 4.6042 4.6043 5.3732 5.3734 6.1513 6.1516 k = 0.0566-0.0771 0.0488 ( 9981 PWs) bands (ev): -23.7934 -23.7934 -15.0101 -15.0101 -14.7400 -14.7400 -14.7391 -14.7391 -13.9261 -13.9260 -13.8854 -13.8854 -13.8744 -13.8744 -9.6134 -9.6134 -7.0789 -7.0785 -6.2812 -6.2806 -6.2682 -6.2681 -5.8558 -5.8547 -5.5747 -5.5730 -5.5697 -5.5693 -4.2800 -4.2800 -3.6147 -3.6139 -3.6055 -3.6054 -3.1459 -3.1456 -3.1285 -3.1260 -2.8807 -2.8799 -2.6482 -2.6398 -2.0063 -2.0047 -1.9721 -1.9690 -1.4219 -1.4190 -1.3921 -1.3908 -1.1510 -1.1477 -0.7578 -0.7544 -0.7076 -0.7062 -0.5451 -0.5372 -0.5169 -0.5164 -0.2181 -0.2176 -0.1978 -0.1958 4.2938 4.2941 4.3027 4.3028 4.5900 4.5902 4.6055 4.6056 5.3746 5.3747 6.1749 6.1752 k = 0.0679-0.0925 0.0586 ( 9979 PWs) bands (ev): -23.7934 -23.7934 -15.0077 -15.0077 -14.7416 -14.7416 -14.7402 -14.7402 -13.9299 -13.9298 -13.8851 -13.8850 -13.8710 -13.8709 -9.6132 -9.6132 -7.0806 -7.0801 -6.2788 -6.2783 -6.2650 -6.2648 -5.8551 -5.8537 -5.5775 -5.5755 -5.5707 -5.5704 -4.2810 -4.2809 -3.6150 -3.6140 -3.6022 -3.6021 -3.1466 -3.1463 -3.1267 -3.1244 -2.8847 -2.8839 -2.6390 -2.6291 -2.0118 -2.0108 -1.9729 -1.9683 -1.4298 -1.4259 -1.3916 -1.3898 -1.1418 -1.1384 -0.7658 -0.7619 -0.7157 -0.7141 -0.5464 -0.5371 -0.5173 -0.5164 -0.2161 -0.2159 -0.1948 -0.1921 4.2882 4.2885 4.2971 4.2971 4.5888 4.5890 4.6073 4.6075 5.3761 5.3763 6.2031 6.2035 k = 0.0792-0.1079 0.0683 ( 9980 PWs) bands (ev): -23.7934 -23.7934 -15.0050 -15.0049 -14.7434 -14.7434 -14.7416 -14.7416 -13.9337 -13.9337 -13.8846 -13.8846 -13.8675 -13.8675 -9.6131 -9.6131 -7.0825 -7.0819 -6.2762 -6.2757 -6.2612 -6.2608 -5.8541 -5.8526 -5.5807 -5.5785 -5.5719 -5.5716 -4.2820 -4.2819 -3.6154 -3.6142 -3.5984 -3.5983 -3.1477 -3.1469 -3.1244 -3.1224 -2.8892 -2.8883 -2.6285 -2.6171 -2.0191 -2.0188 -1.9732 -1.9670 -1.4373 -1.4325 -1.3907 -1.3885 -1.1326 -1.1293 -0.7749 -0.7705 -0.7251 -0.7233 -0.5477 -0.5373 -0.5178 -0.5163 -0.2141 -0.2139 -0.1910 -0.1878 4.2821 4.2823 4.2909 4.2910 4.5873 4.5875 4.6094 4.6096 5.3778 5.3780 6.2358 6.2362 k = 0.0905-0.1233 0.0781 ( 9981 PWs) bands (ev): -23.7934 -23.7934 -15.0018 -15.0018 -14.7454 -14.7454 -14.7431 -14.7431 -13.9375 -13.9375 -13.8841 -13.8841 -13.8642 -13.8641 -9.6130 -9.6130 -7.0846 -7.0840 -6.2734 -6.2728 -6.2567 -6.2563 -5.8530 -5.8513 -5.5843 -5.5819 -5.5733 -5.5729 -4.2830 -4.2830 -3.6158 -3.6145 -3.5944 -3.5942 -3.1487 -3.1474 -3.1216 -3.1198 -2.8941 -2.8933 -2.6169 -2.6041 -2.0288 -2.0285 -1.9731 -1.9653 -1.4439 -1.4382 -1.3893 -1.3866 -1.1239 -1.1208 -0.7851 -0.7801 -0.7355 -0.7336 -0.5492 -0.5378 -0.5183 -0.5162 -0.2121 -0.2114 -0.1865 -0.1828 4.2754 4.2757 4.2843 4.2844 4.5857 4.5858 4.6116 4.6119 5.3795 5.3798 6.2725 6.2730 k = 0.1018-0.1387 0.0878 ( 9977 PWs) bands (ev): -23.7934 -23.7934 -14.9983 -14.9982 -14.7477 -14.7477 -14.7448 -14.7448 -13.9413 -13.9412 -13.8836 -13.8836 -13.8609 -13.8609 -9.6128 -9.6128 -7.0870 -7.0863 -6.2703 -6.2698 -6.2517 -6.2511 -5.8517 -5.8498 -5.5883 -5.5857 -5.5748 -5.5744 -4.2841 -4.2841 -3.6162 -3.6148 -3.5902 -3.5899 -3.1495 -3.1478 -3.1183 -3.1167 -2.8993 -2.8985 -2.6044 -2.5904 -2.0406 -2.0398 -1.9724 -1.9632 -1.4494 -1.4429 -1.3874 -1.3843 -1.1159 -1.1133 -0.7961 -0.7905 -0.7470 -0.7449 -0.5507 -0.5386 -0.5188 -0.5160 -0.2099 -0.2088 -0.1814 -0.1773 4.2685 4.2687 4.2775 4.2776 4.5839 4.5840 4.6139 4.6143 5.3813 5.3815 6.3130 6.3136 k = 0.1132-0.1541 0.0976 ( 9975 PWs) bands (ev): -23.7934 -23.7934 -14.9943 -14.9943 -14.7503 -14.7502 -14.7466 -14.7466 -13.9449 -13.9449 -13.8829 -13.8829 -13.8578 -13.8578 -9.6127 -9.6126 -7.0895 -7.0888 -6.2670 -6.2665 -6.2462 -6.2455 -5.8502 -5.8482 -5.5926 -5.5899 -5.5765 -5.5761 -4.2851 -4.2851 -3.6166 -3.6151 -3.5859 -3.5854 -3.1499 -3.1480 -3.1147 -3.1131 -2.9047 -2.9039 -2.5912 -2.5761 -2.0543 -2.0531 -1.9714 -1.9608 -1.4534 -1.4463 -1.3849 -1.3815 -1.1090 -1.1071 -0.8078 -0.8018 -0.7592 -0.7572 -0.5523 -0.5397 -0.5191 -0.5157 -0.2077 -0.2061 -0.1756 -0.1711 4.2614 4.2616 4.2706 4.2708 4.5822 4.5822 4.6163 4.6166 5.3830 5.3833 6.3568 6.3575 k = 0.1245-0.1695 0.1074 ( 9989 PWs) bands (ev): -23.7934 -23.7934 -14.9901 -14.9900 -14.7530 -14.7530 -14.7487 -14.7487 -13.9485 -13.9484 -13.8823 -13.8823 -13.8550 -13.8549 -9.6125 -9.6125 -7.0922 -7.0915 -6.2635 -6.2630 -6.2402 -6.2394 -5.8485 -5.8463 -5.5973 -5.5943 -5.5783 -5.5779 -4.2861 -4.2860 -3.6171 -3.6155 -3.5815 -3.5809 -3.1500 -3.1478 -3.1107 -3.1091 -2.9102 -2.9095 -2.5776 -2.5615 -2.0697 -2.0683 -1.9699 -1.9582 -1.4561 -1.4483 -1.3819 -1.3781 -1.1034 -1.1024 -0.8203 -0.8137 -0.7722 -0.7701 -0.5538 -0.5410 -0.5193 -0.5153 -0.2054 -0.2032 -0.1694 -0.1646 4.2544 4.2545 4.2638 4.2640 4.5806 4.5806 4.6185 4.6189 5.3846 5.3849 6.4037 6.4044 k = 0.1358-0.1850 0.1171 ( 9987 PWs) bands (ev): -23.7934 -23.7934 -14.9855 -14.9854 -14.7560 -14.7559 -14.7509 -14.7509 -13.9518 -13.9518 -13.8815 -13.8815 -13.8523 -13.8522 -9.6123 -9.6123 -7.0951 -7.0943 -6.2598 -6.2593 -6.2339 -6.2330 -5.8466 -5.8443 -5.6022 -5.5991 -5.5802 -5.5798 -4.2871 -4.2869 -3.6176 -3.6158 -3.5773 -3.5765 -3.1495 -3.1471 -3.1065 -3.1048 -2.9156 -2.9149 -2.5638 -2.5468 -2.0867 -2.0851 -1.9681 -1.9555 -1.4572 -1.4488 -1.3781 -1.3740 -1.0995 -1.0993 -0.8334 -0.8263 -0.7856 -0.7836 -0.5551 -0.5425 -0.5193 -0.5148 -0.2029 -0.2002 -0.1627 -0.1577 4.2474 4.2476 4.2572 4.2575 4.5791 4.5791 4.6206 4.6210 5.3860 5.3863 6.4532 6.4540 k = 0.1471-0.2004 0.1269 ( 9994 PWs) bands (ev): -23.7934 -23.7934 -14.9806 -14.9805 -14.7591 -14.7591 -14.7532 -14.7532 -13.9550 -13.9550 -13.8808 -13.8807 -13.8498 -13.8498 -9.6122 -9.6121 -7.0981 -7.0973 -6.2558 -6.2554 -6.2273 -6.2264 -5.8446 -5.8421 -5.6073 -5.6040 -5.5822 -5.5819 -4.2879 -4.2877 -3.6182 -3.6163 -3.5734 -3.5723 -3.1484 -3.1459 -3.1020 -3.1001 -2.9209 -2.9202 -2.5500 -2.5323 -2.1051 -2.1036 -1.9659 -1.9525 -1.4568 -1.4481 -1.3736 -1.3692 -1.0985 -1.0970 -0.8471 -0.8396 -0.7993 -0.7974 -0.5562 -0.5439 -0.5191 -0.5141 -0.2003 -0.1971 -0.1557 -0.1506 4.2407 4.2409 4.2510 4.2514 4.5779 4.5779 4.6226 4.6230 5.3872 5.3874 6.5049 6.5058 k = 0.1584-0.2158 0.1366 ( 9998 PWs) bands (ev): -23.7934 -23.7934 -14.9753 -14.9753 -14.7625 -14.7624 -14.7557 -14.7557 -13.9580 -13.9580 -13.8799 -13.8799 -13.8476 -13.8476 -9.6120 -9.6120 -7.1012 -7.1004 -6.2517 -6.2512 -6.2205 -6.2195 -5.8423 -5.8397 -5.6125 -5.6092 -5.5844 -5.5840 -4.2885 -4.2882 -3.6187 -3.6167 -3.5697 -3.5685 -3.1466 -3.1442 -3.0974 -3.0952 -2.9259 -2.9252 -2.5366 -2.5183 -2.1248 -2.1233 -1.9633 -1.9493 -1.4551 -1.4460 -1.3684 -1.3637 -1.0993 -1.0964 -0.8614 -0.8536 -0.8128 -0.8113 -0.5570 -0.5453 -0.5189 -0.5134 -0.1976 -0.1940 -0.1485 -0.1433 4.2344 4.2345 4.2452 4.2457 4.5770 4.5770 4.6244 4.6248 5.3880 5.3883 6.5584 6.5594 k = 0.1697-0.2312 0.1464 ( 9999 PWs) bands (ev): -23.7934 -23.7934 -14.9699 -14.9698 -14.7659 -14.7659 -14.7582 -14.7582 -13.9609 -13.9608 -13.8790 -13.8790 -13.8457 -13.8456 -9.6118 -9.6118 -7.1044 -7.1036 -6.2473 -6.2469 -6.2135 -6.2125 -5.8398 -5.8372 -5.6179 -5.6145 -5.5867 -5.5863 -4.2890 -4.2887 -3.6193 -3.6172 -3.5666 -3.5652 -3.1442 -3.1417 -3.0926 -3.0900 -2.9305 -2.9297 -2.5236 -2.5050 -2.1456 -2.1443 -1.9603 -1.9459 -1.4522 -1.4429 -1.3624 -1.3575 -1.1022 -1.0977 -0.8763 -0.8684 -0.8260 -0.8249 -0.5574 -0.5463 -0.5185 -0.5126 -0.1948 -0.1908 -0.1413 -0.1361 4.2285 4.2286 4.2400 4.2405 4.5764 4.5765 4.6260 4.6264 5.3885 5.3888 6.6134 6.6145 k = 0.1811-0.2466 0.1562 ( 9997 PWs) bands (ev): -23.7934 -23.7934 -14.9641 -14.9641 -14.7695 -14.7695 -14.7609 -14.7609 -13.9635 -13.9634 -13.8781 -13.8781 -13.8440 -13.8440 -9.6117 -9.6117 -7.1077 -7.1069 -6.2428 -6.2424 -6.2066 -6.2055 -5.8371 -5.8344 -5.6233 -5.6198 -5.5890 -5.5887 -4.2894 -4.2889 -3.6199 -3.6178 -3.5640 -3.5624 -3.1410 -3.1386 -3.0876 -3.0846 -2.9346 -2.9337 -2.5114 -2.4926 -2.1672 -2.1661 -1.9568 -1.9422 -1.4483 -1.4387 -1.3557 -1.3506 -1.1069 -1.1009 -0.8918 -0.8840 -0.8384 -0.8381 -0.5573 -0.5471 -0.5181 -0.5118 -0.1919 -0.1875 -0.1341 -0.1290 4.2231 4.2231 4.2354 4.2359 4.5762 4.5763 4.6274 4.6278 5.3886 5.3888 6.6693 6.6705 k = 0.1924-0.2620 0.1659 ( 10009 PWs) bands (ev): -23.7934 -23.7934 -14.9582 -14.9581 -14.7733 -14.7732 -14.7637 -14.7637 -13.9659 -13.9658 -13.8771 -13.8771 -13.8426 -13.8426 -9.6116 -9.6115 -7.1110 -7.1102 -6.2380 -6.2376 -6.1997 -6.1986 -5.8342 -5.8315 -5.6287 -5.6252 -5.5915 -5.5911 -4.2895 -4.2890 -3.6205 -3.6183 -3.5621 -3.5603 -3.1370 -3.1347 -3.0825 -3.0791 -2.9381 -2.9370 -2.5000 -2.4813 -2.1894 -2.1886 -1.9528 -1.9382 -1.4434 -1.4337 -1.3483 -1.3431 -1.1134 -1.1059 -0.9080 -0.9005 -0.8504 -0.8501 -0.5567 -0.5474 -0.5176 -0.5108 -0.1889 -0.1841 -0.1271 -0.1221 4.2183 4.2183 4.2314 4.2320 4.5765 4.5766 4.6286 4.6290 5.3882 5.3885 6.7258 6.7270 k = 0.2037-0.2774 0.1757 ( 10009 PWs) bands (ev): -23.7933 -23.7933 -14.9520 -14.9520 -14.7771 -14.7770 -14.7666 -14.7666 -13.9680 -13.9680 -13.8761 -13.8761 -13.8415 -13.8414 -9.6114 -9.6114 -7.1143 -7.1135 -6.2332 -6.2328 -6.1929 -6.1918 -5.8311 -5.8285 -5.6339 -5.6305 -5.5940 -5.5937 -4.2895 -4.2889 -3.6211 -3.6189 -3.5609 -3.5589 -3.1323 -3.1301 -3.0773 -3.0735 -2.9409 -2.9398 -2.4898 -2.4712 -2.2121 -2.2115 -1.9482 -1.9338 -1.4378 -1.4279 -1.3402 -1.3349 -1.1216 -1.1127 -0.9248 -0.9177 -0.8619 -0.8608 -0.5556 -0.5473 -0.5170 -0.5099 -0.1857 -0.1806 -0.1204 -0.1155 4.2140 4.2141 4.2281 4.2287 4.5773 4.5774 4.6297 4.6301 5.3874 5.3876 6.7820 6.7833 k = 0.2150-0.2929 0.1855 ( 10021 PWs) bands (ev): -23.7933 -23.7933 -14.9457 -14.9457 -14.7810 -14.7809 -14.7695 -14.7695 -13.9700 -13.9699 -13.8751 -13.8751 -13.8406 -13.8406 -9.6113 -9.6113 -7.1177 -7.1169 -6.2281 -6.2278 -6.1863 -6.1852 -5.8279 -5.8253 -5.6390 -5.6356 -5.5966 -5.5963 -4.2893 -4.2887 -3.6217 -3.6195 -3.5606 -3.5584 -3.1268 -3.1247 -3.0720 -3.0678 -2.9431 -2.9418 -2.4808 -2.4626 -2.2348 -2.2345 -1.9430 -1.9291 -1.4316 -1.4217 -1.3316 -1.3263 -1.1312 -1.1210 -0.9421 -0.9354 -0.8724 -0.8707 -0.5540 -0.5467 -0.5163 -0.5089 -0.1824 -0.1771 -0.1141 -0.1093 4.2104 4.2105 4.2254 4.2260 4.5786 4.5787 4.6306 4.6310 5.3860 5.3862 6.8373 6.8386 k = 0.2263-0.3083 0.1952 ( 10011 PWs) bands (ev): -23.7933 -23.7933 -14.9393 -14.9392 -14.7849 -14.7848 -14.7725 -14.7725 -13.9717 -13.9716 -13.8740 -13.8740 -13.8401 -13.8400 -9.6112 -9.6112 -7.1211 -7.1203 -6.2230 -6.2227 -6.1799 -6.1789 -5.8245 -5.8220 -5.6438 -5.6405 -5.5993 -5.5990 -4.2889 -4.2882 -3.6223 -3.6202 -3.5611 -3.5588 -3.1206 -3.1186 -3.0666 -3.0620 -2.9447 -2.9433 -2.4732 -2.4556 -2.2575 -2.2575 -1.9371 -1.9239 -1.4251 -1.4151 -1.3226 -1.3172 -1.1420 -1.1306 -0.9599 -0.9536 -0.8819 -0.8797 -0.5519 -0.5457 -0.5155 -0.5078 -0.1789 -0.1734 -0.1083 -0.1036 4.2075 4.2076 4.2233 4.2239 4.5804 4.5805 4.6315 4.6317 5.3841 5.3843 6.8903 6.8916 k = 0.2376-0.3237 0.2050 ( 10001 PWs) bands (ev): -23.7933 -23.7933 -14.9328 -14.9327 -14.7888 -14.7888 -14.7755 -14.7755 -13.9731 -13.9731 -13.8729 -13.8729 -13.8398 -13.8398 -9.6112 -9.6111 -7.1244 -7.1237 -6.2178 -6.2174 -6.1740 -6.1729 -5.8210 -5.8187 -5.6483 -5.6451 -5.6020 -5.6017 -4.2884 -4.2877 -3.6228 -3.6208 -3.5625 -3.5601 -3.1136 -3.1117 -3.0610 -3.0561 -2.9457 -2.9442 -2.4670 -2.4502 -2.2802 -2.2799 -1.9307 -1.9183 -1.4183 -1.4082 -1.3132 -1.3078 -1.1537 -1.1413 -0.9778 -0.9719 -0.8905 -0.8880 -0.5495 -0.5442 -0.5147 -0.5068 -0.1753 -0.1697 -0.1030 -0.0985 4.2053 4.2053 4.2218 4.2224 4.5827 4.5828 4.6322 4.6324 5.3817 5.3818 6.9387 6.9398 k = 0.2490-0.3391 0.2147 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.9262 -14.9262 -14.7928 -14.7927 -14.7786 -14.7786 -13.9743 -13.9743 -13.8718 -13.8717 -13.8398 -13.8398 -9.6111 -9.6111 -7.1277 -7.1270 -6.2125 -6.2122 -6.1684 -6.1674 -5.8175 -5.8153 -5.6523 -5.6493 -5.6048 -5.6045 -4.2877 -4.2870 -3.6234 -3.6215 -3.5647 -3.5623 -3.1059 -3.1042 -3.0552 -3.0502 -2.9462 -2.9447 -2.4622 -2.4463 -2.3024 -2.3017 -1.9238 -1.9124 -1.4113 -1.4012 -1.3036 -1.2983 -1.1660 -1.1528 -0.9958 -0.9902 -0.8981 -0.8955 -0.5468 -0.5425 -0.5138 -0.5057 -0.1715 -0.1659 -0.0983 -0.0941 4.2037 4.2038 4.2208 4.2214 4.5855 4.5856 4.6328 4.6330 5.3787 5.3788 6.9779 6.9788 k = 0.2603-0.3545 0.2245 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.9197 -14.9196 -14.7966 -14.7965 -14.7817 -14.7817 -13.9753 -13.9753 -13.8706 -13.8706 -13.8401 -13.8401 -9.6111 -9.6111 -7.1309 -7.1303 -6.2072 -6.2069 -6.1633 -6.1623 -5.8140 -5.8121 -5.6557 -5.6530 -5.6076 -5.6073 -4.2870 -4.2862 -3.6240 -3.6222 -3.5678 -3.5654 -3.0975 -3.0959 -3.0491 -3.0442 -2.9464 -2.9449 -2.4590 -2.4441 -2.3237 -2.3227 -1.9164 -1.9060 -1.4043 -1.3941 -1.2940 -1.2888 -1.1788 -1.1648 -1.0136 -1.0082 -0.9050 -0.9023 -0.5439 -0.5404 -0.5128 -0.5046 -0.1675 -0.1619 -0.0942 -0.0903 4.2028 4.2028 4.2203 4.2209 4.5888 4.5889 4.6334 4.6335 5.3752 5.3753 7.0006 7.0014 k = 0.2716-0.3699 0.2343 ( 9998 PWs) bands (ev): -23.7933 -23.7933 -14.9132 -14.9131 -14.8004 -14.8003 -14.7848 -14.7848 -13.9761 -13.9761 -13.8694 -13.8694 -13.8406 -13.8406 -9.6111 -9.6110 -7.1340 -7.1335 -6.2019 -6.2015 -6.1588 -6.1578 -5.8106 -5.8089 -5.6584 -5.6560 -5.6104 -5.6101 -4.2862 -4.2853 -3.6246 -3.6230 -3.5717 -3.5694 -3.0885 -3.0870 -3.0429 -3.0381 -2.9465 -2.9451 -2.4572 -2.4435 -2.3440 -2.3427 -1.9087 -1.8995 -1.3974 -1.3872 -1.2846 -1.2795 -1.1917 -1.1771 -1.0310 -1.0258 -0.9111 -0.9084 -0.5409 -0.5382 -0.5118 -0.5035 -0.1633 -0.1579 -0.0909 -0.0872 4.2025 4.2025 4.2202 4.2208 4.5924 4.5925 4.6340 4.6340 5.3711 5.3712 7.0039 7.0049 k = 0.2829-0.3853 0.2440 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9069 -14.9068 -14.8039 -14.8039 -14.7878 -14.7878 -13.9766 -13.9766 -13.8682 -13.8682 -13.8414 -13.8414 -9.6111 -9.6110 -7.1371 -7.1366 -6.1966 -6.1962 -6.1548 -6.1539 -5.8073 -5.8059 -5.6604 -5.6582 -5.6132 -5.6129 -4.2853 -4.2845 -3.6252 -3.6237 -3.5763 -3.5741 -3.0789 -3.0776 -3.0364 -3.0319 -2.9466 -2.9453 -2.4569 -2.4443 -2.3630 -2.3613 -1.9008 -1.8928 -1.3906 -1.3804 -1.2755 -1.2708 -1.2044 -1.1894 -1.0477 -1.0428 -0.9164 -0.9139 -0.5379 -0.5359 -0.5106 -0.5024 -0.1589 -0.1537 -0.0882 -0.0849 4.2028 4.2028 4.2205 4.2210 4.5964 4.5965 4.6345 4.6345 5.3666 5.3666 6.9942 6.9954 k = 0.2942-0.4007 0.2538 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9007 -14.9007 -14.8073 -14.8072 -14.7909 -14.7909 -13.9769 -13.9769 -13.8670 -13.8670 -13.8425 -13.8425 -9.6111 -9.6110 -7.1401 -7.1396 -6.1913 -6.1910 -6.1515 -6.1507 -5.8043 -5.8032 -5.6614 -5.6597 -5.6160 -5.6157 -4.2844 -4.2836 -3.6257 -3.6245 -3.5815 -3.5794 -3.0688 -3.0676 -3.0298 -3.0256 -2.9469 -2.9459 -2.4579 -2.4465 -2.3805 -2.3784 -1.8929 -1.8861 -1.3840 -1.3739 -1.2671 -1.2628 -1.2168 -1.2013 -1.0635 -1.0588 -0.9210 -0.9187 -0.5350 -0.5337 -0.5094 -0.5014 -0.1543 -0.1493 -0.0862 -0.0832 4.2036 4.2037 4.2211 4.2215 4.6006 4.6007 4.6350 4.6351 5.3616 5.3616 6.9788 6.9800 k = 0.3055-0.4162 0.2635 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.8949 -14.8948 -14.8103 -14.8103 -14.7939 -14.7939 -13.9770 -13.9770 -13.8658 -13.8657 -13.8438 -13.8438 -9.6111 -9.6111 -7.1430 -7.1425 -6.1862 -6.1859 -6.1488 -6.1481 -5.8016 -5.8008 -5.6616 -5.6601 -5.6188 -5.6186 -4.2836 -4.2829 -3.6263 -3.6253 -3.5871 -3.5852 -3.0583 -3.0572 -3.0229 -3.0193 -2.9477 -2.9470 -2.4600 -2.4500 -2.3960 -2.3938 -1.8852 -1.8795 -1.3778 -1.3679 -1.2596 -1.2561 -1.2285 -1.2125 -1.0780 -1.0736 -0.9249 -0.9228 -0.5323 -0.5315 -0.5082 -0.5003 -0.1495 -0.1449 -0.0849 -0.0823 4.2049 4.2050 4.2218 4.2222 4.6050 4.6050 4.6356 4.6357 5.3562 5.3562 6.9617 6.9629 k = 0.3169-0.4316 0.2733 ( 9992 PWs) bands (ev): -23.7933 -23.7933 -14.8895 -14.8895 -14.8129 -14.8129 -14.7968 -14.7968 -13.9770 -13.9770 -13.8645 -13.8645 -13.8453 -13.8452 -9.6111 -9.6111 -7.1457 -7.1454 -6.1812 -6.1809 -6.1469 -6.1462 -5.7992 -5.7987 -5.6607 -5.6596 -5.6215 -5.6213 -4.2829 -4.2822 -3.6268 -3.6260 -3.5932 -3.5914 -3.0475 -3.0464 -3.0160 -3.0130 -2.9491 -2.9487 -2.4633 -2.4546 -2.4095 -2.4071 -1.8779 -1.8733 -1.3719 -1.3624 -1.2536 -1.2513 -1.2390 -1.2224 -1.0908 -1.0867 -0.9281 -0.9263 -0.5299 -0.5296 -0.5069 -0.4992 -0.1446 -0.1404 -0.0843 -0.0821 4.2067 4.2067 4.2228 4.2231 4.6094 4.6094 4.6362 4.6364 5.3505 5.3505 6.9447 6.9458 k = 0.3282-0.4470 0.2831 ( 9999 PWs) bands (ev): -23.7933 -23.7933 -14.8847 -14.8846 -14.8150 -14.8149 -14.7997 -14.7997 -13.9767 -13.9767 -13.8633 -13.8632 -13.8469 -13.8469 -9.6111 -9.6111 -7.1483 -7.1480 -6.1764 -6.1761 -6.1455 -6.1450 -5.7973 -5.7970 -5.6588 -5.6580 -5.6242 -5.6241 -4.2823 -4.2817 -3.6273 -3.6268 -3.5994 -3.5978 -3.0364 -3.0355 -3.0091 -3.0068 -2.9513 -2.9512 -2.4673 -2.4601 -2.4208 -2.4184 -1.8711 -1.8675 -1.3666 -1.3577 -1.2512 -1.2496 -1.2462 -1.2300 -1.1015 -1.0979 -0.9307 -0.9291 -0.5279 -0.5279 -0.5056 -0.4982 -0.1395 -0.1358 -0.0842 -0.0824 4.2087 4.2088 4.2239 4.2242 4.6136 4.6136 4.6368 4.6371 5.3445 5.3445 6.9289 6.9299 k = 0.3395-0.4624 0.2928 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8806 -14.8806 -14.8163 -14.8163 -14.8026 -14.8026 -13.9763 -13.9763 -13.8620 -13.8620 -13.8488 -13.8487 -9.6111 -9.6111 -7.1508 -7.1506 -6.1718 -6.1716 -6.1449 -6.1444 -5.7957 -5.7956 -5.6559 -5.6554 -5.6269 -5.6267 -4.2818 -4.2813 -3.6278 -3.6277 -3.6058 -3.6044 -3.0254 -3.0244 -3.0022 -3.0007 -2.9547 -2.9543 -2.4718 -2.4661 -2.4300 -2.4276 -1.8650 -1.8624 -1.3620 -1.3540 -1.2571 -1.2518 -1.2454 -1.2346 -1.1096 -1.1066 -0.9326 -0.9313 -0.5265 -0.5263 -0.5044 -0.4972 -0.1345 -0.1313 -0.0845 -0.0832 4.2111 4.2111 4.2251 4.2253 4.6176 4.6176 4.6376 4.6380 5.3384 5.3385 6.9147 6.9155 k = 0.3508-0.4778 0.3026 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.8774 -14.8774 -14.8168 -14.8168 -14.8053 -14.8053 -13.9758 -13.9758 -13.8607 -13.8607 -13.8507 -13.8507 -9.6112 -9.6112 -7.1531 -7.1530 -6.1677 -6.1674 -6.1448 -6.1445 -5.7944 -5.7944 -5.6522 -5.6518 -5.6294 -5.6293 -4.2816 -4.2812 -3.6285 -3.6282 -3.6121 -3.6109 -3.0144 -3.0136 -2.9955 -2.9949 -2.9591 -2.9583 -2.4763 -2.4722 -2.4372 -2.4349 -1.8599 -1.8580 -1.3583 -1.3518 -1.2625 -1.2562 -1.2452 -1.2380 -1.1149 -1.1127 -0.9338 -0.9328 -0.5254 -0.5251 -0.5033 -0.4964 -0.1297 -0.1271 -0.0852 -0.0843 4.2135 4.2135 4.2264 4.2265 4.6212 4.6212 4.6385 4.6390 5.3324 5.3324 6.9025 6.9031 k = 0.3621-0.4932 0.3123 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8752 -14.8752 -14.8164 -14.8164 -14.8079 -14.8079 -13.9752 -13.9752 -13.8595 -13.8595 -13.8528 -13.8527 -9.6112 -9.6112 -7.1553 -7.1552 -6.1641 -6.1639 -6.1452 -6.1449 -5.7934 -5.7934 -5.6476 -5.6474 -5.6319 -5.6318 -4.2816 -4.2813 -3.6294 -3.6286 -3.6181 -3.6172 -3.0039 -3.0031 -2.9894 -2.9891 -2.9642 -2.9631 -2.4803 -2.4776 -2.4428 -2.4405 -1.8557 -1.8546 -1.3557 -1.3511 -1.2658 -1.2602 -1.2469 -1.2420 -1.1174 -1.1160 -0.9344 -0.9337 -0.5246 -0.5243 -0.5024 -0.4957 -0.1254 -0.1233 -0.0858 -0.0854 4.2159 4.2160 4.2278 4.2278 4.6242 4.6243 4.6396 4.6402 5.3264 5.3265 6.8925 6.8929 k = 0.3734-0.5086 0.3221 ( 9983 PWs) bands (ev): -23.7933 -23.7933 -14.8740 -14.8740 -14.8151 -14.8151 -14.8105 -14.8104 -13.9745 -13.9745 -13.8582 -13.8582 -13.8549 -13.8548 -9.6112 -9.6112 -7.1573 -7.1572 -6.1613 -6.1612 -6.1457 -6.1455 -5.7926 -5.7925 -5.6423 -5.6423 -5.6343 -5.6342 -4.2819 -4.2817 -3.6306 -3.6291 -3.6235 -3.6230 -2.9943 -2.9935 -2.9846 -2.9838 -2.9693 -2.9681 -2.4834 -2.4821 -2.4469 -2.4446 -1.8527 -1.8522 -1.3544 -1.3521 -1.2673 -1.2631 -1.2498 -1.2470 -1.1175 -1.1169 -0.9344 -0.9341 -0.5241 -0.5239 -0.5018 -0.4953 -0.1220 -0.1203 -0.0862 -0.0860 4.2182 4.2182 4.2292 4.2293 4.6266 4.6266 4.6408 4.6414 5.3208 5.3208 6.8847 6.8849 k = 0.3848-0.5241 0.3319 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8737 -14.8737 -14.8129 -14.8129 -14.8129 -14.8129 -13.9737 -13.9737 -13.8570 -13.8570 -13.8570 -13.8570 -9.6111 -9.6111 -7.1591 -7.1591 -6.1600 -6.1600 -6.1457 -6.1456 -5.7917 -5.7917 -5.6367 -5.6367 -5.6363 -5.6362 -4.2824 -4.2824 -3.6327 -3.6305 -3.6275 -3.6275 -2.9873 -2.9868 -2.9822 -2.9822 -2.9700 -2.9700 -2.4854 -2.4854 -2.4496 -2.4474 -1.8510 -1.8510 -1.3543 -1.3543 -1.2688 -1.2651 -1.2518 -1.2518 -1.1158 -1.1158 -0.9338 -0.9338 -0.5238 -0.5238 -0.5015 -0.4951 -0.1201 -0.1187 -0.0857 -0.0857 4.2201 4.2201 4.2308 4.2309 4.6282 4.6282 4.6421 4.6428 5.3157 5.3157 6.8791 6.8791 k = 0.3848-0.5241 0.3319 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8737 -14.8737 -14.8129 -14.8129 -14.8129 -14.8129 -13.9737 -13.9737 -13.8570 -13.8570 -13.8570 -13.8570 -9.6111 -9.6111 -7.1591 -7.1591 -6.1600 -6.1600 -6.1457 -6.1456 -5.7917 -5.7917 -5.6367 -5.6367 -5.6363 -5.6362 -4.2824 -4.2824 -3.6327 -3.6305 -3.6275 -3.6275 -2.9873 -2.9868 -2.9822 -2.9822 -2.9700 -2.9700 -2.4854 -2.4854 -2.4496 -2.4474 -1.8510 -1.8510 -1.3543 -1.3543 -1.2688 -1.2651 -1.2518 -1.2518 -1.1158 -1.1158 -0.9338 -0.9338 -0.5238 -0.5238 -0.5015 -0.4951 -0.1201 -0.1187 -0.0857 -0.0857 4.2201 4.2201 4.2308 4.2309 4.6282 4.6282 4.6421 4.6428 5.3157 5.3157 6.8791 6.8791 k = 0.3924-0.5136 0.3484 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8745 -14.8745 -14.8123 -14.8123 -14.8123 -14.8123 -13.9699 -13.9699 -13.8593 -13.8592 -13.8592 -13.8592 -9.6109 -9.6109 -7.1683 -7.1683 -6.1586 -6.1586 -6.1443 -6.1442 -5.7871 -5.7871 -5.6265 -5.6265 -5.6260 -5.6260 -4.2863 -4.2863 -3.6478 -3.6454 -3.6423 -3.6423 -2.9756 -2.9756 -2.9741 -2.9732 -2.9576 -2.9576 -2.4954 -2.4954 -2.4593 -2.4573 -1.8474 -1.8474 -1.3628 -1.3628 -1.2807 -1.2774 -1.2633 -1.2633 -1.1047 -1.1047 -0.9299 -0.9299 -0.5237 -0.5237 -0.5006 -0.4949 -0.1155 -0.1143 -0.0808 -0.0808 4.2285 4.2285 4.2393 4.2395 4.6349 4.6349 4.6490 4.6497 5.2915 5.2915 6.8551 6.8551 k = 0.4001-0.5031 0.3649 ( 9976 PWs) bands (ev): -23.7933 -23.7933 -14.8754 -14.8754 -14.8117 -14.8117 -14.8117 -14.8117 -13.9662 -13.9662 -13.8615 -13.8615 -13.8615 -13.8615 -9.6106 -9.6106 -7.1778 -7.1778 -6.1577 -6.1577 -6.1433 -6.1433 -5.7814 -5.7814 -5.6155 -5.6155 -5.6150 -5.6150 -4.2905 -4.2905 -3.6633 -3.6607 -3.6574 -3.6574 -2.9699 -2.9699 -2.9610 -2.9599 -2.9450 -2.9450 -2.5047 -2.5047 -2.4685 -2.4666 -1.8446 -1.8446 -1.3713 -1.3713 -1.2925 -1.2897 -1.2748 -1.2748 -1.0933 -1.0933 -0.9256 -0.9256 -0.5236 -0.5236 -0.4997 -0.4946 -0.1110 -0.1100 -0.0761 -0.0761 4.2366 4.2366 4.2474 4.2477 4.6416 4.6416 4.6560 4.6567 5.2682 5.2682 6.8295 6.8295 k = 0.4078-0.4927 0.3814 ( 9970 PWs) bands (ev): -23.7933 -23.7933 -14.8762 -14.8762 -14.8111 -14.8111 -14.8111 -14.8111 -13.9625 -13.9625 -13.8637 -13.8637 -13.8637 -13.8637 -9.6102 -9.6102 -7.1875 -7.1875 -6.1571 -6.1571 -6.1428 -6.1427 -5.7749 -5.7749 -5.6041 -5.6041 -5.6035 -5.6035 -4.2950 -4.2950 -3.6790 -3.6764 -3.6728 -3.6728 -2.9648 -2.9648 -2.9482 -2.9470 -2.9326 -2.9326 -2.5135 -2.5135 -2.4770 -2.4753 -1.8425 -1.8425 -1.3798 -1.3798 -1.3042 -1.3017 -1.2861 -1.2861 -1.0819 -1.0819 -0.9208 -0.9208 -0.5234 -0.5234 -0.4989 -0.4943 -0.1068 -0.1060 -0.0716 -0.0716 4.2444 4.2444 4.2553 4.2557 4.6484 4.6484 4.6630 4.6637 5.2460 5.2460 6.8031 6.8031 k = 0.4155-0.4822 0.3980 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8771 -14.8771 -14.8105 -14.8105 -14.8104 -14.8104 -13.9590 -13.9590 -13.8658 -13.8658 -13.8658 -13.8658 -9.6097 -9.6097 -7.1971 -7.1971 -6.1569 -6.1569 -6.1425 -6.1425 -5.7678 -5.7678 -5.5924 -5.5924 -5.5918 -5.5917 -4.2995 -4.2995 -3.6947 -3.6920 -3.6883 -3.6883 -2.9603 -2.9603 -2.9359 -2.9345 -2.9205 -2.9205 -2.5216 -2.5216 -2.4849 -2.4834 -1.8411 -1.8411 -1.3883 -1.3883 -1.3156 -1.3135 -1.2971 -1.2971 -1.0706 -1.0706 -0.9159 -0.9159 -0.5232 -0.5232 -0.4980 -0.4940 -0.1028 -0.1022 -0.0673 -0.0673 4.2518 4.2518 4.2628 4.2632 4.6550 4.6550 4.6699 4.6706 5.2249 5.2249 6.7769 6.7769 k = 0.4232-0.4717 0.4145 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8780 -14.8780 -14.8098 -14.8098 -14.8098 -14.8098 -13.9557 -13.9557 -13.8679 -13.8679 -13.8679 -13.8678 -9.6092 -9.6092 -7.2066 -7.2066 -6.1569 -6.1569 -6.1426 -6.1426 -5.7604 -5.7604 -5.5807 -5.5807 -5.5800 -5.5799 -4.3041 -4.3041 -3.7101 -3.7075 -3.7035 -3.7035 -2.9563 -2.9563 -2.9241 -2.9226 -2.9089 -2.9089 -2.5291 -2.5291 -2.4921 -2.4909 -1.8401 -1.8401 -1.3965 -1.3965 -1.3266 -1.3247 -1.3078 -1.3078 -1.0596 -1.0596 -0.9108 -0.9108 -0.5229 -0.5229 -0.4972 -0.4937 -0.0991 -0.0987 -0.0634 -0.0634 4.2588 4.2588 4.2698 4.2703 4.6614 4.6614 4.6766 4.6772 5.2051 5.2051 6.7514 6.7514 k = 0.4309-0.4613 0.4310 ( 9970 PWs) bands (ev): -23.7933 -23.7933 -14.8789 -14.8789 -14.8092 -14.8092 -14.8091 -14.8091 -13.9526 -13.9526 -13.8698 -13.8698 -13.8698 -13.8698 -9.6087 -9.6087 -7.2157 -7.2157 -6.1571 -6.1571 -6.1428 -6.1428 -5.7528 -5.7528 -5.5691 -5.5691 -5.5683 -5.5683 -4.3087 -4.3087 -3.7249 -3.7225 -3.7182 -3.7182 -2.9527 -2.9527 -2.9130 -2.9115 -2.8979 -2.8979 -2.5359 -2.5359 -2.4987 -2.4976 -1.8396 -1.8396 -1.4043 -1.4043 -1.3369 -1.3354 -1.3178 -1.3178 -1.0491 -1.0491 -0.9057 -0.9057 -0.5226 -0.5226 -0.4964 -0.4934 -0.0957 -0.0954 -0.0598 -0.0598 4.2653 4.2653 4.2764 4.2769 4.6675 4.6675 4.6829 4.6835 5.1868 5.1868 6.7272 6.7272 k = 0.4385-0.4508 0.4475 ( 9973 PWs) bands (ev): -23.7933 -23.7933 -14.8797 -14.8797 -14.8086 -14.8086 -14.8085 -14.8085 -13.9498 -13.9498 -13.8716 -13.8716 -13.8716 -13.8716 -9.6082 -9.6082 -7.2243 -7.2243 -6.1575 -6.1575 -6.1432 -6.1432 -5.7453 -5.7453 -5.5580 -5.5580 -5.5572 -5.5571 -4.3132 -4.3132 -3.7390 -3.7367 -3.7321 -3.7321 -2.9495 -2.9495 -2.9026 -2.9012 -2.8878 -2.8878 -2.5421 -2.5421 -2.5046 -2.5037 -1.8394 -1.8394 -1.4118 -1.4118 -1.3466 -1.3453 -1.3273 -1.3273 -1.0392 -1.0392 -0.9007 -0.9007 -0.5224 -0.5224 -0.4956 -0.4931 -0.0926 -0.0925 -0.0565 -0.0565 4.2712 4.2712 4.2824 4.2829 4.6732 4.6732 4.6888 4.6893 5.1701 5.1701 6.7046 6.7046 k = 0.4462-0.4403 0.4640 ( 9979 PWs) bands (ev): -23.7933 -23.7933 -14.8805 -14.8805 -14.8080 -14.8080 -14.8080 -14.8080 -13.9472 -13.9472 -13.8733 -13.8732 -13.8732 -13.8732 -9.6077 -9.6077 -7.2322 -7.2322 -6.1579 -6.1579 -6.1437 -6.1436 -5.7382 -5.7382 -5.5476 -5.5476 -5.5466 -5.5466 -4.3174 -4.3174 -3.7521 -3.7500 -3.7452 -3.7452 -2.9468 -2.9468 -2.8932 -2.8918 -2.8784 -2.8784 -2.5475 -2.5475 -2.5099 -2.5091 -1.8393 -1.8393 -1.4186 -1.4186 -1.3554 -1.3544 -1.3359 -1.3359 -1.0302 -1.0302 -0.8960 -0.8960 -0.5221 -0.5221 -0.4949 -0.4928 -0.0899 -0.0898 -0.0536 -0.0536 4.2766 4.2766 4.2879 4.2884 4.6784 4.6784 4.6942 4.6947 5.1551 5.1551 6.6841 6.6841 k = 0.4539-0.4299 0.4806 ( 9970 PWs) bands (ev): -23.7933 -23.7933 -14.8812 -14.8812 -14.8075 -14.8075 -14.8074 -14.8074 -13.9449 -13.9449 -13.8747 -13.8747 -13.8747 -13.8747 -9.6073 -9.6073 -7.2394 -7.2394 -6.1584 -6.1584 -6.1442 -6.1441 -5.7315 -5.7315 -5.5380 -5.5380 -5.5370 -5.5369 -4.3213 -4.3213 -3.7640 -3.7621 -3.7570 -3.7570 -2.9444 -2.9444 -2.8847 -2.8835 -2.8701 -2.8701 -2.5523 -2.5523 -2.5144 -2.5138 -1.8394 -1.8394 -1.4248 -1.4248 -1.3633 -1.3625 -1.3436 -1.3436 -1.0222 -1.0222 -0.8917 -0.8917 -0.5218 -0.5218 -0.4943 -0.4925 -0.0875 -0.0875 -0.0511 -0.0511 4.2813 4.2813 4.2927 4.2931 4.6830 4.6830 4.6990 4.6994 5.1418 5.1418 6.6658 6.6658 k = 0.4616-0.4194 0.4971 ( 9955 PWs) bands (ev): -23.7933 -23.7933 -14.8818 -14.8818 -14.8070 -14.8070 -14.8070 -14.8070 -13.9429 -13.9429 -13.8760 -13.8760 -13.8760 -13.8760 -9.6068 -9.6068 -7.2456 -7.2456 -6.1589 -6.1589 -6.1447 -6.1446 -5.7256 -5.7256 -5.5295 -5.5295 -5.5284 -5.5283 -4.3247 -4.3247 -3.7744 -3.7728 -3.7674 -3.7674 -2.9424 -2.9424 -2.8774 -2.8763 -2.8629 -2.8629 -2.5564 -2.5564 -2.5182 -2.5178 -1.8396 -1.8396 -1.4302 -1.4302 -1.3702 -1.3695 -1.3503 -1.3503 -1.0151 -1.0151 -0.8878 -0.8878 -0.5216 -0.5216 -0.4937 -0.4922 -0.0855 -0.0855 -0.0489 -0.0489 4.2853 4.2853 4.2968 4.2972 4.6870 4.6870 4.7032 4.7036 5.1305 5.1305 6.6500 6.6500 k = 0.4693-0.4090 0.5136 ( 9967 PWs) bands (ev): -23.7933 -23.7933 -14.8823 -14.8823 -14.8066 -14.8066 -14.8066 -14.8066 -13.9413 -13.9413 -13.8770 -13.8770 -13.8770 -13.8770 -9.6065 -9.6065 -7.2509 -7.2509 -6.1593 -6.1593 -6.1451 -6.1451 -5.7204 -5.7204 -5.5223 -5.5223 -5.5211 -5.5210 -4.3277 -4.3277 -3.7832 -3.7819 -3.7763 -3.7763 -2.9408 -2.9408 -2.8713 -2.8703 -2.8569 -2.8569 -2.5598 -2.5598 -2.5214 -2.5211 -1.8399 -1.8399 -1.4348 -1.4348 -1.3760 -1.3755 -1.3559 -1.3559 -1.0093 -1.0093 -0.8845 -0.8845 -0.5213 -0.5213 -0.4932 -0.4921 -0.0839 -0.0839 -0.0471 -0.0471 4.2887 4.2887 4.3002 4.3006 4.6904 4.6904 4.7068 4.7070 5.1211 5.1211 6.6368 6.6368 k = 0.4770-0.3985 0.5301 ( 9973 PWs) bands (ev): -23.7933 -23.7933 -14.8827 -14.8827 -14.8063 -14.8063 -14.8063 -14.8063 -13.9400 -13.9400 -13.8779 -13.8779 -13.8779 -13.8779 -9.6062 -9.6062 -7.2550 -7.2550 -6.1597 -6.1597 -6.1455 -6.1455 -5.7163 -5.7163 -5.5165 -5.5165 -5.5152 -5.5152 -4.3301 -4.3301 -3.7902 -3.7892 -3.7833 -3.7833 -2.9396 -2.9396 -2.8664 -2.8656 -2.8521 -2.8521 -2.5624 -2.5624 -2.5238 -2.5236 -1.8401 -1.8401 -1.4384 -1.4384 -1.3805 -1.3801 -1.3604 -1.3604 -1.0046 -1.0046 -0.8819 -0.8819 -0.5212 -0.5212 -0.4928 -0.4919 -0.0827 -0.0826 -0.0457 -0.0457 4.2913 4.2913 4.3029 4.3032 4.6931 4.6931 4.7096 4.7098 5.1137 5.1137 6.6264 6.6264 k = 0.4846-0.3880 0.5467 ( 9976 PWs) bands (ev): -23.7933 -23.7933 -14.8830 -14.8830 -14.8061 -14.8061 -14.8060 -14.8060 -13.9391 -13.9391 -13.8785 -13.8785 -13.8785 -13.8785 -9.6060 -9.6060 -7.2581 -7.2581 -6.1599 -6.1599 -6.1458 -6.1458 -5.7133 -5.7133 -5.5122 -5.5122 -5.5109 -5.5109 -4.3319 -4.3319 -3.7952 -3.7945 -3.7885 -3.7885 -2.9387 -2.9387 -2.8628 -2.8623 -2.8486 -2.8486 -2.5643 -2.5643 -2.5256 -2.5254 -1.8403 -1.8403 -1.4410 -1.4410 -1.3838 -1.3836 -1.3636 -1.3636 -1.0013 -1.0013 -0.8800 -0.8800 -0.5210 -0.5210 -0.4924 -0.4919 -0.0817 -0.0817 -0.0447 -0.0447 4.2932 4.2932 4.3049 4.3051 4.6950 4.6950 4.7116 4.7117 5.1084 5.1084 6.6190 6.6190 k = 0.4923-0.3776 0.5632 ( 9976 PWs) bands (ev): -23.7933 -23.7933 -14.8832 -14.8832 -14.8059 -14.8059 -14.8059 -14.8059 -13.9385 -13.9385 -13.8788 -13.8788 -13.8788 -13.8788 -9.6058 -9.6058 -7.2599 -7.2599 -6.1601 -6.1601 -6.1459 -6.1459 -5.7114 -5.7114 -5.5096 -5.5096 -5.5083 -5.5083 -4.3330 -4.3330 -3.7982 -3.7979 -3.7916 -3.7916 -2.9382 -2.9382 -2.8606 -2.8603 -2.8465 -2.8465 -2.5654 -2.5654 -2.5266 -2.5265 -1.8404 -1.8404 -1.4426 -1.4426 -1.3858 -1.3856 -1.3656 -1.3656 -0.9992 -0.9992 -0.8788 -0.8788 -0.5209 -0.5209 -0.4922 -0.4919 -0.0812 -0.0812 -0.0441 -0.0441 4.2943 4.2943 4.3061 4.3062 4.6962 4.6962 4.7128 4.7129 5.1052 5.1052 6.6145 6.6145 k = 0.5000-0.3671 0.5797 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8832 -14.8832 -14.8059 -14.8059 -14.8059 -14.8059 -13.9383 -13.9383 -13.8790 -13.8790 -13.8790 -13.8790 -9.6058 -9.6058 -7.2605 -7.2605 -6.1602 -6.1602 -6.1460 -6.1460 -5.7108 -5.7108 -5.5088 -5.5088 -5.5075 -5.5075 -4.3333 -4.3333 -3.7991 -3.7991 -3.7926 -3.7926 -2.9380 -2.9380 -2.8597 -2.8597 -2.8458 -2.8458 -2.5658 -2.5658 -2.5269 -2.5269 -1.8404 -1.8404 -1.4431 -1.4431 -1.3864 -1.3864 -1.3662 -1.3662 -0.9986 -0.9986 -0.8784 -0.8784 -0.5209 -0.5209 -0.4920 -0.4920 -0.0810 -0.0810 -0.0440 -0.0440 4.2947 4.2947 4.3065 4.3065 4.6966 4.6966 4.7133 4.7133 5.1042 5.1042 6.6129 6.6129 k = 0.5000-0.3671 0.5797 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8832 -14.8832 -14.8059 -14.8059 -14.8059 -14.8059 -13.9383 -13.9383 -13.8790 -13.8790 -13.8790 -13.8790 -9.6058 -9.6058 -7.2605 -7.2605 -6.1602 -6.1602 -6.1460 -6.1460 -5.7108 -5.7108 -5.5088 -5.5088 -5.5075 -5.5075 -4.3333 -4.3333 -3.7991 -3.7991 -3.7926 -3.7926 -2.9380 -2.9380 -2.8597 -2.8597 -2.8458 -2.8458 -2.5658 -2.5658 -2.5269 -2.5269 -1.8404 -1.8404 -1.4431 -1.4431 -1.3864 -1.3864 -1.3662 -1.3662 -0.9986 -0.9986 -0.8784 -0.8784 -0.5209 -0.5209 -0.4920 -0.4920 -0.0810 -0.0810 -0.0440 -0.0440 4.2947 4.2947 4.3065 4.3065 4.6966 4.6966 4.7133 4.7133 5.1042 5.1042 6.6129 6.6129 k = 0.4934-0.3461 0.5797 ( 9972 PWs) bands (ev): -23.7933 -23.7933 -14.8834 -14.8834 -14.8059 -14.8059 -14.8056 -14.8056 -13.9385 -13.9385 -13.8789 -13.8788 -13.8788 -13.8788 -9.6058 -9.6058 -7.2603 -7.2602 -6.1606 -6.1604 -6.1463 -6.1463 -5.7110 -5.7105 -5.5091 -5.5087 -5.5076 -5.5075 -4.3336 -4.3332 -3.7986 -3.7984 -3.7925 -3.7916 -2.9388 -2.9382 -2.8615 -2.8615 -2.8473 -2.8470 -2.5649 -2.5633 -2.5253 -2.5253 -1.8413 -1.8412 -1.4442 -1.4418 -1.3858 -1.3857 -1.3672 -1.3640 -0.9988 -0.9987 -0.8785 -0.8779 -0.5211 -0.5208 -0.4922 -0.4921 -0.0812 -0.0812 -0.0442 -0.0441 4.2943 4.2943 4.3061 4.3061 4.6961 4.6961 4.7127 4.7128 5.1058 5.1059 6.6144 6.6144 k = 0.4868-0.3251 0.5797 ( 9984 PWs) bands (ev): -23.7933 -23.7933 -14.8840 -14.8840 -14.8061 -14.8061 -14.8050 -14.8050 -13.9391 -13.9391 -13.8785 -13.8785 -13.8785 -13.8785 -9.6057 -9.6057 -7.2596 -7.2595 -6.1617 -6.1613 -6.1473 -6.1473 -5.7110 -5.7102 -5.5098 -5.5094 -5.5077 -5.5074 -4.3341 -4.3333 -3.7970 -3.7967 -3.7912 -3.7895 -2.9405 -2.9393 -2.8670 -2.8668 -2.8510 -2.8508 -2.5610 -2.5578 -2.5205 -2.5204 -1.8438 -1.8436 -1.4447 -1.4401 -1.3844 -1.3835 -1.3671 -1.3604 -0.9994 -0.9993 -0.8781 -0.8770 -0.5215 -0.5210 -0.4925 -0.4924 -0.0818 -0.0817 -0.0449 -0.0446 4.2930 4.2930 4.3049 4.3050 4.6946 4.6946 4.7112 4.7112 5.1107 5.1110 6.6188 6.6189 k = 0.4802-0.3042 0.5797 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8849 -14.8849 -14.8064 -14.8063 -14.8039 -14.8038 -13.9400 -13.9400 -13.8779 -13.8779 -13.8779 -13.8779 -9.6056 -9.6056 -7.2584 -7.2582 -6.1636 -6.1630 -6.1487 -6.1486 -5.7110 -5.7097 -5.5112 -5.5107 -5.5077 -5.5071 -4.3347 -4.3335 -3.7945 -3.7938 -3.7885 -3.7862 -2.9432 -2.9414 -2.8764 -2.8757 -2.8563 -2.8560 -2.5541 -2.5495 -2.5127 -2.5127 -1.8479 -1.8475 -1.4446 -1.4384 -1.3824 -1.3801 -1.3656 -1.3551 -1.0004 -1.0003 -0.8773 -0.8757 -0.5219 -0.5213 -0.4929 -0.4929 -0.0828 -0.0827 -0.0459 -0.0455 4.2908 4.2908 4.3030 4.3033 4.6922 4.6922 4.7087 4.7087 5.1189 5.1194 6.6261 6.6262 k = 0.4737-0.2832 0.5797 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8861 -14.8861 -14.8067 -14.8067 -14.8024 -14.8024 -13.9414 -13.9413 -13.8772 -13.8772 -13.8771 -13.8771 -9.6054 -9.6054 -7.2567 -7.2565 -6.1665 -6.1656 -6.1504 -6.1503 -5.7108 -5.7091 -5.5133 -5.5128 -5.5076 -5.5066 -4.3354 -4.3338 -3.7913 -3.7900 -3.7844 -3.7817 -2.9468 -2.9445 -2.8893 -2.8879 -2.8629 -2.8620 -2.5450 -2.5390 -2.5024 -2.5024 -1.8535 -1.8530 -1.4438 -1.4364 -1.3802 -1.3762 -1.3620 -1.3480 -1.0019 -1.0017 -0.8762 -0.8740 -0.5225 -0.5220 -0.4935 -0.4933 -0.0844 -0.0840 -0.0471 -0.0468 4.2874 4.2875 4.3007 4.3011 4.6889 4.6890 4.7053 4.7055 5.1300 5.1306 6.6362 6.6364 k = 0.4671-0.2622 0.5797 ( 9983 PWs) bands (ev): -23.7933 -23.7933 -14.8875 -14.8875 -14.8072 -14.8072 -14.8006 -14.8006 -13.9430 -13.9429 -13.8762 -13.8762 -13.8761 -13.8761 -9.6052 -9.6052 -7.2546 -7.2543 -6.1703 -6.1692 -6.1522 -6.1521 -5.7105 -5.7085 -5.5159 -5.5153 -5.5073 -5.5061 -4.3362 -4.3342 -3.7874 -3.7853 -3.7788 -3.7760 -2.9515 -2.9486 -2.9047 -2.9028 -2.8704 -2.8688 -2.5339 -2.5267 -2.4901 -2.4901 -1.8607 -1.8600 -1.4423 -1.4341 -1.3779 -1.3729 -1.3554 -1.3392 -1.0038 -1.0035 -0.8748 -0.8721 -0.5232 -0.5231 -0.4943 -0.4936 -0.0865 -0.0857 -0.0486 -0.0484 4.2829 4.2831 4.2979 4.2984 4.6849 4.6851 4.7014 4.7016 5.1439 5.1447 6.6490 6.6491 k = 0.4605-0.2412 0.5797 ( 9978 PWs) bands (ev): -23.7933 -23.7933 -14.8891 -14.8891 -14.8077 -14.8077 -14.7986 -14.7985 -13.9449 -13.9449 -13.8751 -13.8751 -13.8749 -13.8749 -9.6050 -9.6050 -7.2520 -7.2516 -6.1752 -6.1739 -6.1541 -6.1539 -5.7101 -5.7077 -5.5191 -5.5185 -5.5071 -5.5055 -4.3369 -4.3347 -3.7829 -3.7799 -3.7720 -3.7692 -2.9572 -2.9539 -2.9217 -2.9194 -2.8787 -2.8763 -2.5212 -2.5129 -2.4762 -2.4762 -1.8694 -1.8684 -1.4399 -1.4315 -1.3754 -1.3702 -1.3459 -1.3287 -1.0061 -1.0057 -0.8732 -0.8700 -0.5245 -0.5242 -0.4950 -0.4938 -0.0893 -0.0880 -0.0503 -0.0502 4.2773 4.2775 4.2946 4.2953 4.6803 4.6805 4.6971 4.6972 5.1602 5.1611 6.6642 6.6644 k = 0.4539-0.2203 0.5797 ( 9987 PWs) bands (ev): -23.7933 -23.7933 -14.8908 -14.8908 -14.8084 -14.8084 -14.7964 -14.7963 -13.9471 -13.9470 -13.8739 -13.8739 -13.8735 -13.8735 -9.6047 -9.6047 -7.2489 -7.2485 -6.1810 -6.1795 -6.1559 -6.1557 -5.7095 -5.7068 -5.5228 -5.5221 -5.5069 -5.5051 -4.3376 -4.3350 -3.7776 -3.7738 -3.7641 -3.7613 -2.9647 -2.9609 -2.9392 -2.9367 -2.8875 -2.8845 -2.5073 -2.4980 -2.4613 -2.4612 -1.8794 -1.8781 -1.4367 -1.4284 -1.3727 -1.3676 -1.3342 -1.3167 -1.0088 -1.0083 -0.8715 -0.8678 -0.5264 -0.5253 -0.4956 -0.4936 -0.0927 -0.0907 -0.0524 -0.0519 4.2706 4.2710 4.2907 4.2916 4.6753 4.6755 4.6924 4.6927 5.1787 5.1797 6.6816 6.6819 k = 0.4473-0.1993 0.5797 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.8926 -14.8926 -14.8091 -14.8091 -14.7941 -14.7940 -13.9495 -13.9494 -13.8726 -13.8726 -13.8719 -13.8719 -9.6044 -9.6044 -7.2455 -7.2450 -6.1875 -6.1859 -6.1578 -6.1576 -5.7088 -5.7058 -5.5270 -5.5262 -5.5068 -5.5047 -4.3381 -4.3353 -3.7717 -3.7670 -3.7552 -3.7525 -2.9754 -2.9711 -2.9552 -2.9525 -2.8967 -2.8931 -2.4925 -2.4822 -2.4456 -2.4454 -1.8907 -1.8891 -1.4328 -1.4248 -1.3696 -1.3649 -1.3208 -1.3034 -1.0119 -1.0114 -0.8698 -0.8657 -0.5286 -0.5267 -0.4961 -0.4933 -0.0967 -0.0940 -0.0547 -0.0537 4.2632 4.2636 4.2861 4.2871 4.6700 4.6702 4.6877 4.6880 5.1990 5.2001 6.7011 6.7014 k = 0.4407-0.1783 0.5797 ( 9984 PWs) bands (ev): -23.7933 -23.7933 -14.8944 -14.8944 -14.8098 -14.8098 -14.7917 -14.7917 -13.9521 -13.9520 -13.8712 -13.8712 -13.8702 -13.8701 -9.6041 -9.6041 -7.2417 -7.2412 -6.1947 -6.1930 -6.1597 -6.1596 -5.7080 -5.7047 -5.5315 -5.5307 -5.5069 -5.5046 -4.3383 -4.3354 -3.7651 -3.7596 -3.7454 -3.7428 -2.9911 -2.9866 -2.9673 -2.9643 -2.9063 -2.9020 -2.4769 -2.4656 -2.4296 -2.4292 -1.9032 -1.9013 -1.4281 -1.4207 -1.3663 -1.3619 -1.3059 -1.2890 -1.0155 -1.0148 -0.8682 -0.8637 -0.5309 -0.5282 -0.4963 -0.4927 -0.1015 -0.0980 -0.0570 -0.0556 4.2551 4.2556 4.2806 4.2818 4.6647 4.6649 4.6830 4.6834 5.2209 5.2221 6.7222 6.7225 k = 0.4342-0.1573 0.5797 ( 9979 PWs) bands (ev): -23.7933 -23.7933 -14.8962 -14.8961 -14.8106 -14.8106 -14.7893 -14.7893 -13.9549 -13.9548 -13.8697 -13.8697 -13.8683 -13.8683 -9.6038 -9.6037 -7.2375 -7.2369 -6.2023 -6.2005 -6.1618 -6.1616 -5.7070 -5.7035 -5.5365 -5.5356 -5.5072 -5.5046 -4.3383 -4.3352 -3.7578 -3.7516 -3.7350 -3.7325 -3.0101 -3.0056 -2.9769 -2.9736 -2.9161 -2.9112 -2.4608 -2.4486 -2.4134 -2.4128 -1.9167 -1.9144 -1.4227 -1.4160 -1.3626 -1.3585 -1.2899 -1.2735 -1.0194 -1.0186 -0.8669 -0.8620 -0.5334 -0.5298 -0.4964 -0.4919 -0.1068 -0.1025 -0.0594 -0.0575 4.2464 4.2470 4.2741 4.2754 4.6595 4.6597 4.6785 4.6789 5.2441 5.2453 6.7448 6.7451 k = 0.4276-0.1364 0.5797 ( 9971 PWs) bands (ev): -23.7933 -23.7933 -14.8978 -14.8978 -14.8115 -14.8114 -14.7870 -14.7870 -13.9578 -13.9577 -13.8682 -13.8682 -13.8663 -13.8663 -9.6034 -9.6034 -7.2330 -7.2324 -6.2103 -6.2084 -6.1639 -6.1638 -5.7059 -5.7021 -5.5417 -5.5408 -5.5078 -5.5050 -4.3379 -4.3348 -3.7499 -3.7430 -3.7241 -3.7217 -3.0303 -3.0257 -2.9858 -2.9823 -2.9259 -2.9205 -2.4443 -2.4312 -2.3972 -2.3964 -1.9311 -1.9284 -1.4167 -1.4108 -1.3585 -1.3547 -1.2730 -1.2573 -1.0237 -1.0227 -0.8660 -0.8607 -0.5359 -0.5315 -0.4962 -0.4910 -0.1127 -0.1077 -0.0618 -0.0594 4.2374 4.2379 4.2666 4.2680 4.6547 4.6549 4.6740 4.6745 5.2683 5.2696 6.7684 6.7687 k = 0.4210-0.1154 0.5797 ( 9974 PWs) bands (ev): -23.7933 -23.7933 -14.8994 -14.8994 -14.8123 -14.8123 -14.7848 -14.7848 -13.9608 -13.9608 -13.8666 -13.8666 -13.8642 -13.8642 -9.6030 -9.6030 -7.2282 -7.2276 -6.2184 -6.2164 -6.1662 -6.1661 -5.7047 -5.7007 -5.5472 -5.5463 -5.5087 -5.5057 -4.3372 -4.3340 -3.7415 -3.7340 -3.7127 -3.7105 -3.0508 -3.0460 -2.9946 -2.9911 -2.9359 -2.9298 -2.4276 -2.4138 -2.3812 -2.3801 -1.9462 -1.9431 -1.4101 -1.4051 -1.3539 -1.3504 -1.2553 -1.2405 -1.0283 -1.0271 -0.8655 -0.8600 -0.5381 -0.5331 -0.4960 -0.4901 -0.1191 -0.1133 -0.0641 -0.0615 4.2280 4.2286 4.2581 4.2595 4.6505 4.6506 4.6697 4.6703 5.2933 5.2946 6.7927 6.7930 k = 0.4144-0.0944 0.5797 ( 9974 PWs) bands (ev): -23.7933 -23.7933 -14.9008 -14.9008 -14.8132 -14.8131 -14.7827 -14.7827 -13.9639 -13.9639 -13.8651 -13.8650 -13.8620 -13.8620 -9.6027 -9.6026 -7.2232 -7.2226 -6.2265 -6.2245 -6.1686 -6.1686 -5.7033 -5.6991 -5.5529 -5.5520 -5.5100 -5.5069 -4.3360 -4.3329 -3.7326 -3.7245 -3.7011 -3.6989 -3.0711 -3.0661 -3.0035 -3.0001 -2.9458 -2.9392 -2.4110 -2.3963 -2.3655 -2.3640 -1.9619 -1.9583 -1.4030 -1.3988 -1.3490 -1.3458 -1.2373 -1.2233 -1.0331 -1.0317 -0.8656 -0.8599 -0.5402 -0.5346 -0.4956 -0.4892 -0.1257 -0.1194 -0.0666 -0.0637 4.2184 4.2190 4.2485 4.2499 4.6469 4.6471 4.6656 4.6663 5.3189 5.3202 6.8174 6.8177 k = 0.4078-0.0734 0.5797 ( 9974 PWs) bands (ev): -23.7933 -23.7933 -14.9021 -14.9021 -14.8140 -14.8140 -14.7808 -14.7808 -13.9671 -13.9671 -13.8635 -13.8634 -13.8598 -13.8598 -9.6023 -9.6023 -7.2179 -7.2173 -6.2345 -6.2325 -6.1711 -6.1711 -5.7018 -5.6975 -5.5588 -5.5578 -5.5117 -5.5084 -4.3345 -4.3314 -3.7233 -3.7146 -3.6893 -3.6873 -3.0908 -3.0857 -3.0126 -3.0093 -2.9557 -2.9486 -2.3945 -2.3791 -2.3501 -2.3482 -1.9780 -1.9740 -1.3955 -1.3922 -1.3437 -1.3407 -1.2191 -1.2061 -1.0381 -1.0365 -0.8663 -0.8605 -0.5420 -0.5360 -0.4952 -0.4883 -0.1325 -0.1258 -0.0690 -0.0660 4.2087 4.2093 4.2379 4.2394 4.6440 4.6441 4.6618 4.6625 5.3448 5.3462 6.8420 6.8423 k = 0.4012-0.0524 0.5797 ( 9980 PWs) bands (ev): -23.7933 -23.7933 -14.9031 -14.9031 -14.8148 -14.8148 -14.7791 -14.7791 -13.9704 -13.9703 -13.8619 -13.8618 -13.8576 -13.8575 -9.6019 -9.6019 -7.2126 -7.2119 -6.2423 -6.2403 -6.1738 -6.1738 -5.7002 -5.6958 -5.5648 -5.5638 -5.5139 -5.5105 -4.3325 -4.3294 -3.7136 -3.7044 -3.6774 -3.6756 -3.1097 -3.1046 -3.0218 -3.0186 -2.9656 -2.9579 -2.3783 -2.3624 -2.3350 -2.3327 -1.9943 -1.9899 -1.3875 -1.3852 -1.3379 -1.3352 -1.2011 -1.1890 -1.0432 -1.0414 -0.8676 -0.8618 -0.5434 -0.5371 -0.4949 -0.4875 -0.1393 -0.1323 -0.0716 -0.0685 4.1990 4.1996 4.2266 4.2280 4.6417 4.6419 4.6582 4.6590 5.3709 5.3722 6.8662 6.8664 k = 0.3946-0.0315 0.5797 ( 9989 PWs) bands (ev): -23.7933 -23.7933 -14.9040 -14.9040 -14.8156 -14.8155 -14.7776 -14.7776 -13.9737 -13.9736 -13.8603 -13.8602 -13.8553 -13.8553 -9.6016 -9.6015 -7.2071 -7.2064 -6.2497 -6.2477 -6.1766 -6.1765 -5.6985 -5.6940 -5.5708 -5.5698 -5.5166 -5.5130 -4.3301 -4.3271 -3.7036 -3.6939 -3.6657 -3.6639 -3.1276 -3.1225 -3.0311 -3.0281 -2.9754 -2.9673 -2.3626 -2.3464 -2.3201 -2.3176 -2.0106 -2.0058 -1.3793 -1.3778 -1.3318 -1.3293 -1.1835 -1.1724 -1.0484 -1.0463 -0.8695 -0.8637 -0.5445 -0.5381 -0.4946 -0.4868 -0.1460 -0.1388 -0.0742 -0.0712 4.1893 4.1899 4.2147 4.2160 4.6401 4.6402 4.6550 4.6559 5.3968 5.3982 6.8896 6.8898 k = 0.3881-0.0105 0.5797 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9047 -14.9047 -14.8163 -14.8162 -14.7765 -14.7764 -13.9769 -13.9769 -13.8586 -13.8586 -13.8531 -13.8530 -9.6012 -9.6012 -7.2015 -7.2009 -6.2566 -6.2546 -6.1795 -6.1794 -5.6968 -5.6921 -5.5769 -5.5759 -5.5198 -5.5161 -4.3273 -4.3245 -3.6933 -3.6833 -3.6542 -3.6524 -3.1444 -3.1393 -3.0404 -3.0377 -2.9851 -2.9766 -2.3476 -2.3313 -2.3056 -2.3030 -2.0267 -2.0217 -1.3708 -1.3701 -1.3254 -1.3231 -1.1667 -1.1567 -1.0537 -1.0512 -0.8719 -0.8662 -0.5453 -0.5390 -0.4945 -0.4864 -0.1523 -0.1452 -0.0770 -0.0741 4.1798 4.1802 4.2023 4.2036 4.6388 4.6390 4.6522 4.6532 5.4225 5.4239 6.9119 6.9121 k = 0.3815 0.0105 0.5797 ( 9999 PWs) bands (ev): -23.7933 -23.7933 -14.9051 -14.9051 -14.8169 -14.8169 -14.7755 -14.7755 -13.9802 -13.9802 -13.8571 -13.8570 -13.8509 -13.8508 -9.6009 -9.6009 -7.1959 -7.1953 -6.2629 -6.2610 -6.1825 -6.1823 -5.6949 -5.6902 -5.5829 -5.5819 -5.5236 -5.5198 -4.3241 -4.3215 -3.6829 -3.6725 -3.6430 -3.6412 -3.1597 -3.1547 -3.0497 -3.0473 -2.9948 -2.9859 -2.3334 -2.3173 -2.2913 -2.2888 -2.0424 -2.0372 -1.3622 -1.3621 -1.3186 -1.3165 -1.1511 -1.1421 -1.0589 -1.0560 -0.8745 -0.8690 -0.5459 -0.5397 -0.4945 -0.4861 -0.1582 -0.1512 -0.0799 -0.0772 4.1703 4.1708 4.1898 4.1910 4.6378 4.6379 4.6500 4.6511 5.4478 5.4491 6.9327 6.9328 k = 0.3749 0.0315 0.5797 ( 10003 PWs) bands (ev): -23.7933 -23.7933 -14.9053 -14.9053 -14.8175 -14.8174 -14.7750 -14.7749 -13.9834 -13.9834 -13.8555 -13.8554 -13.8487 -13.8487 -9.6006 -9.6006 -7.1904 -7.1898 -6.2684 -6.2666 -6.1855 -6.1854 -5.6930 -5.6882 -5.5888 -5.5878 -5.5279 -5.5240 -4.3206 -4.3182 -3.6725 -3.6618 -3.6322 -3.6304 -3.1736 -3.1688 -3.0589 -3.0568 -3.0045 -2.9951 -2.3201 -2.3046 -2.2774 -2.2751 -2.0575 -2.0521 -1.3542 -1.3532 -1.3116 -1.3097 -1.1370 -1.1292 -1.0641 -1.0607 -0.8773 -0.8720 -0.5463 -0.5404 -0.4947 -0.4860 -0.1634 -0.1567 -0.0830 -0.0805 4.1611 4.1614 4.1775 4.1785 4.6366 4.6367 4.6485 4.6497 5.4725 5.4738 6.9516 6.9517 k = 0.3683 0.0524 0.5797 ( 10005 PWs) bands (ev): -23.7933 -23.7933 -14.9052 -14.9052 -14.8179 -14.8179 -14.7747 -14.7747 -13.9866 -13.9865 -13.8539 -13.8539 -13.8467 -13.8466 -9.6003 -9.6003 -7.1849 -7.1844 -6.2732 -6.2714 -6.1886 -6.1885 -5.6910 -5.6863 -5.5946 -5.5936 -5.5328 -5.5288 -4.3169 -4.3146 -3.6620 -3.6511 -3.6220 -3.6200 -3.1857 -3.1812 -3.0678 -3.0661 -3.0141 -3.0044 -2.3077 -2.2933 -2.2639 -2.2620 -2.0717 -2.0664 -1.3461 -1.3444 -1.3042 -1.3025 -1.1249 -1.1182 -1.0691 -1.0653 -0.8799 -0.8750 -0.5465 -0.5411 -0.4952 -0.4861 -0.1679 -0.1616 -0.0862 -0.0840 4.1520 4.1523 4.1655 4.1664 4.6352 4.6353 4.6477 4.6490 5.4963 5.4976 6.9684 6.9684 k = 0.3617 0.0734 0.5797 ( 10007 PWs) bands (ev): -23.7933 -23.7933 -14.9050 -14.9050 -14.8183 -14.8183 -14.7748 -14.7748 -13.9896 -13.9896 -13.8524 -13.8523 -13.8447 -13.8447 -9.6001 -9.6001 -7.1796 -7.1791 -6.2771 -6.2754 -6.1918 -6.1916 -5.6891 -5.6843 -5.6003 -5.5993 -5.5382 -5.5341 -4.3129 -4.3109 -3.6516 -3.6405 -3.6123 -3.6102 -3.1960 -3.1919 -3.0765 -3.0752 -3.0236 -3.0137 -2.2965 -2.2833 -2.2512 -2.2497 -2.0847 -2.0798 -1.3379 -1.3355 -1.2966 -1.2950 -1.1151 -1.1097 -1.0740 -1.0695 -0.8823 -0.8778 -0.5467 -0.5417 -0.4958 -0.4865 -0.1716 -0.1658 -0.0896 -0.0877 4.1431 4.1432 4.1542 4.1549 4.6336 4.6337 4.6476 4.6489 5.5191 5.5204 6.9826 6.9826 k = 0.3551 0.0944 0.5797 ( 10011 PWs) bands (ev): -23.7933 -23.7933 -14.9044 -14.9044 -14.8185 -14.8185 -14.7752 -14.7752 -13.9926 -13.9925 -13.8509 -13.8508 -13.8429 -13.8428 -9.5999 -9.5999 -7.1744 -7.1739 -6.2801 -6.2785 -6.1950 -6.1948 -5.6872 -5.6824 -5.6057 -5.6047 -5.5441 -5.5401 -4.3088 -4.3070 -3.6414 -3.6301 -3.6034 -3.6009 -3.2043 -3.2008 -3.0849 -3.0839 -3.0331 -3.0230 -2.2865 -2.2746 -2.2397 -2.2382 -2.0963 -2.0920 -1.3297 -1.3267 -1.2888 -1.2874 -1.1078 -1.1038 -1.0788 -1.0734 -0.8842 -0.8801 -0.5466 -0.5424 -0.4967 -0.4871 -0.1743 -0.1691 -0.0932 -0.0916 4.1342 4.1342 4.1440 4.1445 4.6319 4.6321 4.6477 4.6491 5.5408 5.5420 6.9939 6.9941 k = 0.3485 0.1154 0.5797 ( 9998 PWs) bands (ev): -23.7933 -23.7933 -14.9037 -14.9037 -14.8186 -14.8186 -14.7760 -14.7760 -13.9954 -13.9954 -13.8494 -13.8493 -13.8411 -13.8411 -9.5998 -9.5998 -7.1695 -7.1690 -6.2821 -6.2806 -6.1982 -6.1980 -5.6853 -5.6806 -5.6109 -5.6099 -5.5506 -5.5465 -4.3047 -4.3030 -3.6313 -3.6200 -3.5951 -3.5923 -3.2105 -3.2077 -3.0929 -3.0923 -3.0426 -3.0323 -2.2777 -2.2673 -2.2295 -2.2280 -2.1060 -2.1027 -1.3216 -1.3181 -1.2807 -1.2795 -1.1034 -1.1009 -1.0832 -1.0769 -0.8856 -0.8820 -0.5464 -0.5429 -0.4978 -0.4880 -0.1760 -0.1716 -0.0970 -0.0957 4.1253 4.1255 4.1349 4.1352 4.6302 4.6305 4.6481 4.6494 5.5612 5.5623 7.0022 7.0024 k = 0.3420 0.1364 0.5797 ( 9995 PWs) bands (ev): -23.7933 -23.7933 -14.9027 -14.9027 -14.8186 -14.8186 -14.7772 -14.7772 -13.9981 -13.9980 -13.8479 -13.8479 -13.8396 -13.8396 -9.5997 -9.5997 -7.1647 -7.1643 -6.2830 -6.2817 -6.2015 -6.2012 -5.6835 -5.6788 -5.6158 -5.6149 -5.5577 -5.5535 -4.3005 -4.2990 -3.6216 -3.6103 -3.5877 -3.5844 -3.2147 -3.2126 -3.1004 -3.1001 -3.0520 -3.0416 -2.2701 -2.2613 -2.2213 -2.2192 -2.1133 -2.1114 -1.3137 -1.3097 -1.2724 -1.2714 -1.1019 -1.1008 -1.0874 -1.0801 -0.8866 -0.8834 -0.5460 -0.5433 -0.4991 -0.4890 -0.1768 -0.1732 -0.1008 -0.0998 4.1167 4.1170 4.1270 4.1272 4.6287 4.6290 4.6483 4.6497 5.5801 5.5811 7.0073 7.0075 k = 0.3354 0.1573 0.5797 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9015 -14.9015 -14.8184 -14.8184 -14.7787 -14.7787 -14.0006 -14.0005 -13.8465 -13.8465 -13.8382 -13.8382 -9.5996 -9.5996 -7.1603 -7.1599 -6.2830 -6.2817 -6.2047 -6.2044 -5.6818 -5.6772 -5.6205 -5.6195 -5.5652 -5.5611 -4.2964 -4.2952 -3.6123 -3.6011 -3.5809 -3.5771 -3.2167 -3.2156 -3.1073 -3.1073 -3.0613 -3.0510 -2.2639 -2.2566 -2.2154 -2.2125 -2.1180 -2.1178 -1.3061 -1.3016 -1.2640 -1.2631 -1.1033 -1.1031 -1.0910 -1.0832 -0.8873 -0.8845 -0.5453 -0.5434 -0.5007 -0.4903 -0.1768 -0.1740 -0.1048 -0.1041 4.1088 4.1090 4.1200 4.1201 4.6274 4.6277 4.6484 4.6498 5.5973 5.5982 7.0092 7.0094 k = 0.3288 0.1783 0.5797 ( 9992 PWs) bands (ev): -23.7933 -23.7933 -14.9001 -14.9001 -14.8181 -14.8181 -14.7806 -14.7806 -14.0029 -14.0029 -13.8452 -13.8451 -13.8370 -13.8370 -9.5996 -9.5996 -7.1561 -7.1558 -6.2819 -6.2807 -6.2079 -6.2076 -5.6802 -5.6757 -5.6248 -5.6239 -5.5732 -5.5690 -4.2925 -4.2914 -3.6034 -3.5923 -3.5750 -3.5706 -3.2166 -3.2165 -3.1139 -3.1135 -3.0706 -3.0604 -2.2590 -2.2534 -2.2120 -2.2082 -2.1213 -2.1196 -1.2987 -1.2939 -1.2553 -1.2546 -1.1072 -1.1071 -1.0945 -1.0867 -0.8880 -0.8856 -0.5442 -0.5431 -0.5023 -0.4917 -0.1760 -0.1741 -0.1088 -0.1084 4.1017 4.1020 4.1138 4.1140 4.6262 4.6266 4.6483 4.6496 5.6127 5.6136 7.0080 7.0083 k = 0.3222 0.1993 0.5797 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.8985 -14.8985 -14.8176 -14.8176 -14.7828 -14.7828 -14.0050 -14.0050 -13.8438 -13.8438 -13.8360 -13.8360 -9.5997 -9.5997 -7.1522 -7.1520 -6.2798 -6.2788 -6.2110 -6.2107 -5.6788 -5.6744 -5.6288 -5.6279 -5.5816 -5.5775 -4.2887 -4.2878 -3.5950 -3.5841 -3.5697 -3.5647 -3.2156 -3.2145 -3.1196 -3.1190 -3.0797 -3.0698 -2.2555 -2.2516 -2.2110 -2.2065 -2.1217 -2.1184 -1.2917 -1.2867 -1.2464 -1.2459 -1.1126 -1.1126 -1.0982 -1.0907 -0.8888 -0.8867 -0.5426 -0.5423 -0.5042 -0.4932 -0.1746 -0.1735 -0.1129 -0.1127 4.0957 4.0959 4.1085 4.1087 4.6252 4.6256 4.6477 4.6491 5.6262 5.6269 7.0043 7.0045 k = 0.3156 0.2203 0.5797 ( 10010 PWs) bands (ev): -23.7933 -23.7933 -14.8967 -14.8967 -14.8169 -14.8169 -14.7853 -14.7853 -14.0069 -14.0069 -13.8426 -13.8425 -13.8352 -13.8352 -9.5998 -9.5998 -7.1486 -7.1484 -6.2767 -6.2758 -6.2140 -6.2137 -5.6776 -5.6733 -5.6324 -5.6316 -5.5903 -5.5863 -4.2853 -4.2845 -3.5872 -3.5766 -3.5651 -3.5595 -3.2127 -3.2105 -3.1245 -3.1237 -3.0887 -3.0792 -2.2535 -2.2511 -2.2118 -2.2072 -2.1193 -2.1149 -1.2852 -1.2801 -1.2373 -1.2370 -1.1191 -1.1190 -1.1024 -1.0952 -0.8900 -0.8882 -0.5410 -0.5407 -0.5061 -0.4948 -0.1727 -0.1724 -0.1169 -0.1169 4.0908 4.0910 4.1039 4.1042 4.6245 4.6248 4.6468 4.6482 5.6376 5.6383 6.9984 6.9987 k = 0.3090 0.2412 0.5797 ( 10010 PWs) bands (ev): -23.7933 -23.7933 -14.8948 -14.8948 -14.8161 -14.8161 -14.7882 -14.7882 -14.0085 -14.0085 -13.8413 -13.8413 -13.8346 -13.8346 -9.5999 -9.5999 -7.1453 -7.1452 -6.2727 -6.2720 -6.2170 -6.2166 -5.6766 -5.6725 -5.6357 -5.6349 -5.5993 -5.5954 -4.2821 -4.2815 -3.5800 -3.5698 -3.5611 -3.5550 -3.2081 -3.2047 -3.1284 -3.1274 -3.0975 -3.0885 -2.2529 -2.2520 -2.2139 -2.2098 -2.1145 -2.1097 -1.2793 -1.2742 -1.2280 -1.2279 -1.1264 -1.1262 -1.1070 -1.1000 -0.8917 -0.8902 -0.5392 -0.5384 -0.5081 -0.4963 -0.1710 -0.1705 -0.1209 -0.1207 4.0871 4.0872 4.1001 4.1005 4.6239 4.6243 4.6455 4.6469 5.6469 5.6475 6.9912 6.9915 k = 0.3025 0.2622 0.5797 ( 10006 PWs) bands (ev): -23.7933 -23.7933 -14.8928 -14.8928 -14.8151 -14.8151 -14.7912 -14.7912 -14.0100 -14.0099 -13.8402 -13.8402 -13.8342 -13.8342 -9.6001 -9.6001 -7.1423 -7.1422 -6.2679 -6.2673 -6.2198 -6.2195 -5.6760 -5.6720 -5.6386 -5.6378 -5.6085 -5.6048 -4.2793 -4.2788 -3.5735 -3.5636 -3.5576 -3.5512 -3.2019 -3.1972 -3.1312 -3.1301 -3.1059 -3.0977 -2.2541 -2.2537 -2.2169 -2.2134 -2.1082 -2.1035 -1.2740 -1.2691 -1.2187 -1.2183 -1.1342 -1.1337 -1.1120 -1.1053 -0.8938 -0.8926 -0.5370 -0.5359 -0.5101 -0.4978 -0.1693 -0.1681 -0.1247 -0.1244 4.0846 4.0847 4.0972 4.0976 4.6235 4.6238 4.6438 4.6452 5.6539 5.6544 6.9833 6.9835 k = 0.2959 0.2832 0.5797 ( 10006 PWs) bands (ev): -23.7933 -23.7933 -14.8908 -14.8908 -14.8140 -14.8140 -14.7945 -14.7945 -14.0111 -14.0111 -13.8391 -13.8391 -13.8340 -13.8340 -9.6004 -9.6004 -7.1395 -7.1395 -6.2624 -6.2619 -6.2225 -6.2221 -5.6757 -5.6720 -5.6411 -5.6404 -5.6177 -5.6142 -4.2768 -4.2765 -3.5677 -3.5583 -3.5546 -3.5479 -3.1943 -3.1883 -3.1330 -3.1318 -3.1140 -3.1067 -2.2571 -2.2560 -2.2206 -2.2178 -2.1008 -2.0966 -1.2695 -1.2650 -1.2093 -1.2084 -1.1423 -1.1415 -1.1173 -1.1110 -0.8964 -0.8953 -0.5345 -0.5333 -0.5121 -0.4991 -0.1677 -0.1657 -0.1281 -0.1277 4.0832 4.0832 4.0951 4.0955 4.6232 4.6235 4.6416 4.6431 5.6587 5.6591 6.9754 6.9756 k = 0.2893 0.3042 0.5797 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8889 -14.8888 -14.8127 -14.8127 -14.7979 -14.7979 -14.0120 -14.0120 -13.8381 -13.8381 -13.8340 -13.8340 -9.6007 -9.6007 -7.1370 -7.1370 -6.2563 -6.2559 -6.2250 -6.2246 -5.6760 -5.6727 -5.6433 -5.6425 -5.6266 -5.6235 -4.2747 -4.2745 -3.5627 -3.5538 -3.5520 -3.5452 -3.1854 -3.1782 -3.1337 -3.1323 -3.1212 -3.1154 -2.2609 -2.2595 -2.2249 -2.2226 -2.0927 -2.0892 -1.2659 -1.2621 -1.1999 -1.1982 -1.1502 -1.1490 -1.1229 -1.1171 -0.8991 -0.8984 -0.5318 -0.5308 -0.5140 -0.5001 -0.1662 -0.1636 -0.1310 -0.1305 4.0828 4.0828 4.0939 4.0944 4.6229 4.6231 4.6391 4.6406 5.6612 5.6614 6.9683 6.9684 k = 0.2827 0.3251 0.5797 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8870 -14.8870 -14.8112 -14.8112 -14.8013 -14.8013 -14.0126 -14.0126 -13.8371 -13.8371 -13.8343 -13.8343 -9.6010 -9.6010 -7.1348 -7.1347 -6.2499 -6.2496 -6.2271 -6.2267 -5.6771 -5.6745 -5.6450 -5.6443 -5.6348 -5.6324 -4.2731 -4.2729 -3.5586 -3.5502 -3.5497 -3.5430 -3.1758 -3.1670 -3.1342 -3.1318 -3.1268 -3.1236 -2.2655 -2.2641 -2.2298 -2.2279 -2.0840 -2.0815 -1.2633 -1.2605 -1.1908 -1.1878 -1.1575 -1.1560 -1.1285 -1.1237 -0.9020 -0.9015 -0.5293 -0.5288 -0.5155 -0.5008 -0.1650 -0.1619 -0.1332 -0.1328 4.0833 4.0833 4.0936 4.0942 4.6225 4.6227 4.6363 4.6379 5.6614 5.6615 6.9624 6.9625 k = 0.2761 0.3461 0.5797 ( 9989 PWs) bands (ev): -23.7933 -23.7933 -14.8853 -14.8853 -14.8096 -14.8096 -14.8047 -14.8047 -14.0130 -14.0130 -13.8362 -13.8362 -13.8348 -13.8348 -9.6014 -9.6014 -7.1327 -7.1327 -6.2437 -6.2436 -6.2285 -6.2280 -5.6794 -5.6780 -5.6465 -5.6458 -5.6416 -5.6402 -4.2718 -4.2717 -3.5554 -3.5477 -3.5476 -3.5413 -3.1664 -3.1554 -3.1361 -3.1327 -3.1284 -3.1280 -2.2705 -2.2697 -2.2352 -2.2335 -2.0748 -2.0735 -1.2620 -1.2605 -1.1829 -1.1772 -1.1636 -1.1621 -1.1337 -1.1305 -0.9047 -0.9044 -0.5274 -0.5273 -0.5166 -0.5009 -0.1644 -0.1610 -0.1345 -0.1342 4.0847 4.0847 4.0944 4.0950 4.6218 4.6219 4.6335 4.6351 5.6593 5.6594 6.9582 6.9582 k = 0.2695 0.3671 0.5797 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8840 -14.8840 -14.8078 -14.8078 -14.8078 -14.8078 -14.0130 -14.0130 -13.8355 -13.8354 -13.8354 -13.8354 -9.6019 -9.6019 -7.1308 -7.1308 -6.2393 -6.2393 -6.2277 -6.2271 -5.6835 -5.6835 -5.6480 -5.6480 -5.6460 -5.6455 -4.2709 -4.2709 -3.5533 -3.5460 -3.5460 -3.5400 -3.1602 -3.1467 -3.1360 -3.1360 -3.1255 -3.1255 -2.2761 -2.2761 -2.2413 -2.2396 -2.0653 -2.0653 -1.2622 -1.2622 -1.1787 -1.1672 -1.1671 -1.1671 -1.1369 -1.1369 -0.9071 -0.9071 -0.5265 -0.5265 -0.5166 -0.5007 -0.1644 -0.1608 -0.1349 -0.1349 4.0868 4.0868 4.0962 4.0969 4.6204 4.6204 4.6312 4.6328 5.6552 5.6552 6.9561 6.9561 k = 0.2695 0.3671 0.5797 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8840 -14.8840 -14.8078 -14.8078 -14.8078 -14.8078 -14.0130 -14.0130 -13.8355 -13.8354 -13.8354 -13.8354 -9.6019 -9.6019 -7.1308 -7.1308 -6.2393 -6.2393 -6.2277 -6.2271 -5.6835 -5.6835 -5.6480 -5.6480 -5.6460 -5.6455 -4.2709 -4.2709 -3.5533 -3.5460 -3.5460 -3.5400 -3.1602 -3.1467 -3.1360 -3.1360 -3.1255 -3.1255 -2.2761 -2.2761 -2.2413 -2.2396 -2.0653 -2.0653 -1.2622 -1.2622 -1.1787 -1.1672 -1.1671 -1.1671 -1.1369 -1.1369 -0.9071 -0.9071 -0.5265 -0.5265 -0.5166 -0.5007 -0.1644 -0.1608 -0.1349 -0.1349 4.0868 4.0868 4.0962 4.0969 4.6204 4.6204 4.6312 4.6328 5.6552 5.6552 6.9561 6.9561 k = 0.2616 0.3563 0.5627 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.8871 -14.8871 -14.8063 -14.8062 -14.8062 -14.8062 -14.0130 -14.0130 -13.8355 -13.8355 -13.8355 -13.8355 -9.6006 -9.6006 -7.1359 -7.1359 -6.2463 -6.2463 -6.2349 -6.2343 -5.6677 -5.6677 -5.6403 -5.6403 -5.6383 -5.6377 -4.2729 -4.2729 -3.5582 -3.5502 -3.5502 -3.5435 -3.1682 -3.1534 -3.1437 -3.1437 -3.1358 -3.1358 -2.2592 -2.2592 -2.2242 -2.2227 -2.0899 -2.0899 -1.2572 -1.2572 -1.1825 -1.1706 -1.1706 -1.1704 -1.1268 -1.1268 -0.9007 -0.9007 -0.5275 -0.5275 -0.5180 -0.5019 -0.1634 -0.1601 -0.1344 -0.1344 4.0809 4.0809 4.0903 4.0909 4.6259 4.6259 4.6366 4.6383 5.6682 5.6682 6.9579 6.9579 k = 0.2537 0.3455 0.5456 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.8904 -14.8904 -14.8045 -14.8045 -14.8045 -14.8045 -14.0125 -14.0125 -13.8358 -13.8358 -13.8358 -13.8358 -9.5994 -9.5994 -7.1413 -7.1413 -6.2531 -6.2531 -6.2419 -6.2412 -5.6523 -5.6523 -5.6320 -5.6320 -5.6302 -5.6295 -4.2751 -4.2751 -3.5639 -3.5552 -3.5552 -3.5477 -3.1756 -3.1597 -3.1510 -3.1510 -3.1449 -3.1449 -2.2423 -2.2423 -2.2071 -2.2057 -2.1150 -2.1150 -1.2523 -1.2523 -1.1877 -1.1754 -1.1754 -1.1751 -1.1153 -1.1153 -0.8940 -0.8940 -0.5285 -0.5285 -0.5193 -0.5032 -0.1619 -0.1591 -0.1336 -0.1336 4.0761 4.0761 4.0855 4.0860 4.6313 4.6313 4.6420 4.6438 5.6790 5.6790 6.9578 6.9578 k = 0.2457 0.3347 0.5286 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8940 -14.8940 -14.8026 -14.8026 -14.8026 -14.8026 -14.0116 -14.0116 -13.8363 -13.8363 -13.8363 -13.8363 -9.5983 -9.5983 -7.1468 -7.1468 -6.2596 -6.2596 -6.2485 -6.2479 -5.6376 -5.6376 -5.6233 -5.6233 -5.6218 -5.6210 -4.2775 -4.2775 -3.5701 -3.5607 -3.5607 -3.5525 -3.1826 -3.1654 -3.1581 -3.1581 -3.1528 -3.1528 -2.2259 -2.2259 -2.1900 -2.1888 -2.1403 -2.1403 -1.2474 -1.2474 -1.1942 -1.1814 -1.1814 -1.1811 -1.1027 -1.1027 -0.8871 -0.8871 -0.5296 -0.5296 -0.5205 -0.5045 -0.1602 -0.1579 -0.1325 -0.1325 4.0725 4.0725 4.0819 4.0824 4.6366 4.6366 4.6472 4.6491 5.6875 5.6875 6.9552 6.9552 k = 0.2378 0.3239 0.5115 ( 10003 PWs) bands (ev): -23.7933 -23.7933 -14.8980 -14.8980 -14.8006 -14.8006 -14.8005 -14.8005 -14.0102 -14.0102 -13.8370 -13.8370 -13.8370 -13.8370 -9.5972 -9.5972 -7.1524 -7.1524 -6.2658 -6.2658 -6.2548 -6.2541 -5.6241 -5.6241 -5.6141 -5.6141 -5.6132 -5.6123 -4.2801 -4.2801 -3.5768 -3.5666 -3.5666 -3.5578 -3.1889 -3.1707 -3.1647 -3.1647 -3.1593 -3.1593 -2.2108 -2.2108 -2.1730 -2.1719 -2.1646 -2.1646 -1.2426 -1.2426 -1.2017 -1.1884 -1.1884 -1.1882 -1.0891 -1.0891 -0.8801 -0.8801 -0.5306 -0.5306 -0.5217 -0.5059 -0.1583 -0.1566 -0.1314 -0.1314 4.0703 4.0703 4.0797 4.0801 4.6415 4.6415 4.6521 4.6541 5.6936 5.6936 6.9497 6.9497 k = 0.2299 0.3131 0.4945 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.9022 -14.9022 -14.7984 -14.7984 -14.7984 -14.7983 -14.0084 -14.0084 -13.8380 -13.8380 -13.8380 -13.8380 -9.5961 -9.5961 -7.1577 -7.1577 -6.2715 -6.2715 -6.2606 -6.2600 -5.6124 -5.6124 -5.6047 -5.6043 -5.6043 -5.6036 -4.2828 -4.2828 -3.5836 -3.5729 -3.5729 -3.5634 -3.1947 -3.1755 -3.1703 -3.1703 -3.1646 -3.1646 -2.2055 -2.2055 -2.1795 -2.1795 -2.1561 -2.1551 -1.2381 -1.2381 -1.2103 -1.1963 -1.1962 -1.1961 -1.0747 -1.0747 -0.8730 -0.8730 -0.5317 -0.5317 -0.5227 -0.5072 -0.1564 -0.1554 -0.1303 -0.1303 4.0696 4.0696 4.0790 4.0792 4.6460 4.6460 4.6565 4.6586 5.6972 5.6972 6.9410 6.9410 k = 0.2220 0.3023 0.4774 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.9067 -14.9067 -14.7961 -14.7960 -14.7960 -14.7960 -14.0062 -14.0062 -13.8391 -13.8391 -13.8391 -13.8391 -9.5952 -9.5952 -7.1627 -7.1627 -6.2768 -6.2768 -6.2660 -6.2654 -5.6024 -5.6024 -5.5962 -5.5950 -5.5944 -5.5944 -4.2855 -4.2855 -3.5906 -3.5792 -3.5792 -3.5692 -3.1999 -3.1798 -3.1749 -3.1749 -3.1688 -3.1688 -2.2246 -2.2246 -2.1703 -2.1703 -2.1395 -2.1386 -1.2340 -1.2340 -1.2198 -1.2054 -1.2043 -1.2043 -1.0596 -1.0596 -0.8658 -0.8658 -0.5326 -0.5326 -0.5236 -0.5085 -0.1547 -0.1544 -0.1294 -0.1294 4.0703 4.0703 4.0797 4.0798 4.6498 4.6498 4.6603 4.6624 5.6984 5.6984 6.9290 6.9290 k = 0.2140 0.2915 0.4604 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.9114 -14.9114 -14.7936 -14.7936 -14.7936 -14.7936 -14.0036 -14.0036 -13.8405 -13.8405 -13.8405 -13.8405 -9.5944 -9.5944 -7.1673 -7.1673 -6.2817 -6.2817 -6.2709 -6.2703 -5.5936 -5.5936 -5.5880 -5.5867 -5.5852 -5.5852 -4.2884 -4.2884 -3.5975 -3.5856 -3.5856 -3.5751 -3.2045 -3.1836 -3.1785 -3.1785 -3.1714 -3.1714 -2.2496 -2.2496 -2.1554 -2.1554 -2.1232 -2.1223 -1.2315 -1.2315 -1.2300 -1.2153 -1.2118 -1.2118 -1.0437 -1.0437 -0.8586 -0.8586 -0.5335 -0.5335 -0.5243 -0.5096 -0.1537 -0.1532 -0.1288 -0.1288 4.0725 4.0725 4.0819 4.0819 4.6529 4.6529 4.6635 4.6656 5.6973 5.6973 6.9140 6.9140 k = 0.2061 0.2807 0.4433 ( 9986 PWs) bands (ev): -23.7933 -23.7933 -14.9163 -14.9163 -14.7911 -14.7910 -14.7910 -14.7910 -14.0007 -14.0007 -13.8420 -13.8420 -13.8420 -13.8420 -9.5938 -9.5938 -7.1713 -7.1713 -6.2861 -6.2861 -6.2754 -6.2748 -5.5858 -5.5858 -5.5801 -5.5787 -5.5774 -5.5774 -4.2912 -4.2912 -3.6043 -3.5919 -3.5919 -3.5809 -3.2085 -3.1868 -3.1815 -3.1815 -3.1720 -3.1720 -2.2753 -2.2753 -2.1400 -2.1400 -2.1072 -2.1063 -1.2409 -1.2337 -1.2337 -1.2259 -1.2153 -1.2153 -1.0274 -1.0274 -0.8515 -0.8515 -0.5343 -0.5343 -0.5249 -0.5107 -0.1533 -0.1521 -0.1285 -0.1285 4.0762 4.0762 4.0855 4.0856 4.6552 4.6552 4.6659 4.6680 5.6938 5.6938 6.8962 6.8962 k = 0.1982 0.2699 0.4263 ( 9974 PWs) bands (ev): -23.7933 -23.7933 -14.9214 -14.9214 -14.7884 -14.7884 -14.7884 -14.7883 -13.9974 -13.9974 -13.8437 -13.8437 -13.8437 -13.8437 -9.5933 -9.5933 -7.1747 -7.1747 -6.2900 -6.2900 -6.2793 -6.2787 -5.5791 -5.5791 -5.5726 -5.5711 -5.5710 -5.5710 -4.2940 -4.2940 -3.6108 -3.5980 -3.5980 -3.5866 -3.2117 -3.1895 -3.1841 -3.1841 -3.1703 -3.1703 -2.3010 -2.3010 -2.1248 -2.1248 -2.0917 -2.0908 -1.2523 -1.2414 -1.2414 -1.2370 -1.2138 -1.2138 -1.0107 -1.0107 -0.8444 -0.8444 -0.5349 -0.5349 -0.5252 -0.5116 -0.1535 -0.1514 -0.1287 -0.1287 4.0813 4.0813 4.0906 4.0908 4.6568 4.6568 4.6675 4.6696 5.6881 5.6881 6.8759 6.8759 k = 0.1903 0.2591 0.4092 ( 9980 PWs) bands (ev): -23.7934 -23.7934 -14.9266 -14.9266 -14.7857 -14.7856 -14.7856 -14.7856 -13.9938 -13.9938 -13.8455 -13.8455 -13.8455 -13.8455 -9.5929 -9.5929 -7.1774 -7.1774 -6.2934 -6.2934 -6.2827 -6.2822 -5.5743 -5.5743 -5.5657 -5.5656 -5.5656 -5.5641 -4.2967 -4.2967 -3.6169 -3.6038 -3.6038 -3.5921 -3.2143 -3.1915 -3.1863 -3.1863 -3.1663 -3.1662 -2.3264 -2.3264 -2.1100 -2.1100 -2.0767 -2.0757 -1.2640 -1.2515 -1.2515 -1.2485 -1.2104 -1.2104 -0.9936 -0.9936 -0.8374 -0.8374 -0.5354 -0.5354 -0.5253 -0.5123 -0.1541 -0.1512 -0.1294 -0.1294 4.0879 4.0879 4.0970 4.0974 4.6576 4.6576 4.6684 4.6704 5.6804 5.6804 6.8532 6.8532 k = 0.1823 0.2483 0.3922 ( 9986 PWs) bands (ev): -23.7934 -23.7934 -14.9319 -14.9319 -14.7829 -14.7828 -14.7828 -14.7828 -13.9899 -13.9899 -13.8475 -13.8475 -13.8475 -13.8475 -9.5928 -9.5928 -7.1792 -7.1792 -6.2963 -6.2963 -6.2857 -6.2851 -5.5722 -5.5722 -5.5605 -5.5605 -5.5595 -5.5578 -4.2992 -4.2992 -3.6226 -3.6093 -3.6093 -3.5973 -3.2162 -3.1930 -3.1878 -3.1878 -3.1600 -3.1600 -2.3514 -2.3514 -2.0957 -2.0957 -2.0623 -2.0613 -1.2760 -1.2624 -1.2624 -1.2602 -1.2065 -1.2065 -0.9764 -0.9764 -0.8304 -0.8304 -0.5358 -0.5358 -0.5251 -0.5130 -0.1553 -0.1515 -0.1307 -0.1307 4.0957 4.0957 4.1047 4.1052 4.6577 4.6577 4.6685 4.6705 5.6706 5.6706 6.8283 6.8283 k = 0.1744 0.2375 0.3751 ( 9965 PWs) bands (ev): -23.7933 -23.7933 -14.9374 -14.9374 -14.7800 -14.7800 -14.7800 -14.7799 -13.9858 -13.9858 -13.8496 -13.8496 -13.8496 -13.8496 -9.5928 -9.5928 -7.1802 -7.1802 -6.2987 -6.2987 -6.2881 -6.2876 -5.5731 -5.5731 -5.5555 -5.5555 -5.5539 -5.5521 -4.3014 -4.3014 -3.6278 -3.6142 -3.6142 -3.6020 -3.2173 -3.1938 -3.1887 -3.1887 -3.1517 -3.1517 -2.3759 -2.3759 -2.0821 -2.0821 -2.0485 -2.0474 -1.2881 -1.2737 -1.2737 -1.2721 -1.2026 -1.2026 -0.9590 -0.9590 -0.8236 -0.8236 -0.5359 -0.5359 -0.5248 -0.5134 -0.1571 -0.1525 -0.1325 -0.1325 4.1048 4.1048 4.1137 4.1143 4.6570 4.6570 4.6679 4.6698 5.6591 5.6591 6.8013 6.8013 k = 0.1665 0.2267 0.3581 ( 9977 PWs) bands (ev): -23.7934 -23.7934 -14.9428 -14.9428 -14.7771 -14.7771 -14.7771 -14.7770 -13.9815 -13.9815 -13.8518 -13.8517 -13.8517 -13.8517 -9.5931 -9.5931 -7.1803 -7.1803 -6.3007 -6.3007 -6.2901 -6.2896 -5.5768 -5.5768 -5.5510 -5.5510 -5.5491 -5.5472 -4.3033 -4.3033 -3.6323 -3.6187 -3.6187 -3.6063 -3.2177 -3.1941 -3.1890 -3.1890 -3.1413 -3.1413 -2.3998 -2.3998 -2.0692 -2.0692 -2.0356 -2.0343 -1.3002 -1.2850 -1.2850 -1.2841 -1.1989 -1.1989 -0.9417 -0.9417 -0.8168 -0.8168 -0.5360 -0.5360 -0.5243 -0.5137 -0.1595 -0.1540 -0.1349 -0.1349 4.1149 4.1149 4.1237 4.1245 4.6556 4.6556 4.6667 4.6684 5.6459 5.6459 6.7723 6.7723 k = 0.1585 0.2159 0.3410 ( 9953 PWs) bands (ev): -23.7933 -23.7933 -14.9483 -14.9483 -14.7742 -14.7742 -14.7741 -14.7741 -13.9770 -13.9770 -13.8540 -13.8540 -13.8540 -13.8540 -9.5935 -9.5935 -7.1795 -7.1795 -6.3022 -6.3022 -6.2915 -6.2910 -5.5831 -5.5831 -5.5471 -5.5471 -5.5451 -5.5431 -4.3047 -4.3047 -3.6362 -3.6225 -3.6225 -3.6100 -3.2173 -3.1937 -3.1886 -3.1886 -3.1292 -3.1292 -2.4230 -2.4230 -2.0570 -2.0570 -2.0234 -2.0220 -1.3121 -1.2962 -1.2962 -1.2959 -1.1953 -1.1953 -0.9244 -0.9244 -0.8100 -0.8100 -0.5359 -0.5359 -0.5236 -0.5139 -0.1624 -0.1561 -0.1378 -0.1378 4.1260 4.1260 4.1346 4.1355 4.6536 4.6536 4.6648 4.6664 5.6314 5.6314 6.7411 6.7411 k = 0.1506 0.2051 0.3240 ( 9974 PWs) bands (ev): -23.7934 -23.7934 -14.9537 -14.9537 -14.7712 -14.7712 -14.7712 -14.7712 -13.9725 -13.9725 -13.8563 -13.8563 -13.8563 -13.8563 -9.5941 -9.5941 -7.1777 -7.1777 -6.3032 -6.3032 -6.2926 -6.2921 -5.5918 -5.5918 -5.5440 -5.5440 -5.5419 -5.5399 -4.3058 -4.3058 -3.6394 -3.6257 -3.6257 -3.6132 -3.2163 -3.1927 -3.1876 -3.1876 -3.1154 -3.1154 -2.4454 -2.4454 -2.0458 -2.0458 -2.0122 -2.0106 -1.3237 -1.3074 -1.3072 -1.3072 -1.1919 -1.1919 -0.9074 -0.9074 -0.8033 -0.8033 -0.5358 -0.5358 -0.5228 -0.5140 -0.1658 -0.1587 -0.1412 -0.1412 4.1378 4.1378 4.1464 4.1474 4.6511 4.6511 4.6623 4.6638 5.6156 5.6156 6.7077 6.7077 k = 0.1427 0.1943 0.3069 ( 9983 PWs) bands (ev): -23.7934 -23.7934 -14.9591 -14.9591 -14.7683 -14.7683 -14.7683 -14.7683 -13.9678 -13.9678 -13.8587 -13.8587 -13.8586 -13.8586 -9.5948 -9.5948 -7.1750 -7.1750 -6.3039 -6.3039 -6.2931 -6.2927 -5.6028 -5.6028 -5.5416 -5.5416 -5.5396 -5.5375 -4.3063 -4.3063 -3.6418 -3.6283 -3.6283 -3.6159 -3.2146 -3.1912 -3.1860 -3.1860 -3.1002 -3.1002 -2.4670 -2.4670 -2.0355 -2.0355 -2.0020 -2.0001 -1.3348 -1.3185 -1.3178 -1.3178 -1.1888 -1.1888 -0.8907 -0.8907 -0.7966 -0.7966 -0.5356 -0.5356 -0.5218 -0.5139 -0.1696 -0.1618 -0.1451 -0.1451 4.1503 4.1503 4.1587 4.1598 4.6481 4.6481 4.6594 4.6608 5.5989 5.5989 6.6721 6.6721 k = 0.1348 0.1836 0.2899 ( 10001 PWs) bands (ev): -23.7934 -23.7934 -14.9644 -14.9644 -14.7655 -14.7655 -14.7654 -14.7654 -13.9632 -13.9632 -13.8610 -13.8610 -13.8610 -13.8610 -9.5958 -9.5958 -7.1714 -7.1714 -6.3041 -6.3041 -6.2933 -6.2929 -5.6157 -5.6157 -5.5401 -5.5401 -5.5381 -5.5360 -4.3064 -4.3064 -3.6435 -3.6302 -3.6302 -3.6179 -3.2122 -3.1892 -3.1839 -3.1839 -3.0840 -3.0840 -2.4877 -2.4877 -2.0262 -2.0262 -1.9928 -1.9907 -1.3453 -1.3292 -1.3279 -1.3279 -1.1861 -1.1861 -0.8745 -0.8745 -0.7898 -0.7898 -0.5353 -0.5353 -0.5208 -0.5138 -0.1738 -0.1654 -0.1494 -0.1494 4.1632 4.1632 4.1715 4.1727 4.6447 4.6447 4.6561 4.6573 5.5815 5.5815 6.6344 6.6344 k = 0.1268 0.1728 0.2728 ( 9995 PWs) bands (ev): -23.7934 -23.7934 -14.9695 -14.9695 -14.7626 -14.7626 -14.7626 -14.7626 -13.9585 -13.9585 -13.8634 -13.8634 -13.8634 -13.8634 -9.5968 -9.5968 -7.1670 -7.1670 -6.3040 -6.3040 -6.2932 -6.2928 -5.6305 -5.6305 -5.5393 -5.5393 -5.5373 -5.5353 -4.3060 -4.3060 -3.6445 -3.6315 -3.6315 -3.6194 -3.2092 -3.1866 -3.1812 -3.1812 -3.0668 -3.0668 -2.5075 -2.5075 -2.0179 -2.0179 -1.9847 -1.9825 -1.3552 -1.3392 -1.3374 -1.3374 -1.1836 -1.1836 -0.8588 -0.8588 -0.7829 -0.7829 -0.5351 -0.5351 -0.5197 -0.5137 -0.1783 -0.1693 -0.1539 -0.1539 4.1763 4.1763 4.1846 4.1858 4.6409 4.6409 4.6524 4.6535 5.5635 5.5635 6.5946 6.5946 k = 0.1189 0.1620 0.2558 ( 9992 PWs) bands (ev): -23.7934 -23.7934 -14.9745 -14.9745 -14.7599 -14.7599 -14.7599 -14.7598 -13.9539 -13.9539 -13.8657 -13.8657 -13.8657 -13.8657 -9.5980 -9.5980 -7.1617 -7.1617 -6.3035 -6.3035 -6.2926 -6.2923 -5.6469 -5.6469 -5.5393 -5.5393 -5.5374 -5.5353 -4.3051 -4.3051 -3.6448 -3.6321 -3.6321 -3.6203 -3.2057 -3.1837 -3.1780 -3.1780 -3.0490 -3.0490 -2.5262 -2.5262 -2.0108 -2.0108 -1.9778 -1.9754 -1.3642 -1.3484 -1.3461 -1.3461 -1.1815 -1.1815 -0.8438 -0.8438 -0.7758 -0.7758 -0.5348 -0.5348 -0.5187 -0.5135 -0.1830 -0.1735 -0.1586 -0.1586 4.1895 4.1895 4.1978 4.1990 4.6369 4.6369 4.6485 4.6495 5.5453 5.5453 6.5532 6.5532 k = 0.1110 0.1512 0.2387 ( 9992 PWs) bands (ev): -23.7934 -23.7934 -14.9793 -14.9793 -14.7572 -14.7572 -14.7572 -14.7571 -13.9494 -13.9494 -13.8680 -13.8680 -13.8680 -13.8680 -9.5993 -9.5993 -7.1557 -7.1557 -6.3027 -6.3027 -6.2918 -6.2915 -5.6644 -5.6644 -5.5400 -5.5400 -5.5381 -5.5361 -4.3037 -4.3037 -3.6444 -3.6322 -3.6322 -3.6207 -3.2017 -3.1804 -3.1744 -3.1744 -3.0309 -3.0309 -2.5440 -2.5440 -2.0048 -2.0048 -1.9721 -1.9695 -1.3723 -1.3569 -1.3541 -1.3541 -1.1797 -1.1797 -0.8296 -0.8296 -0.7686 -0.7686 -0.5347 -0.5347 -0.5176 -0.5134 -0.1878 -0.1779 -0.1635 -0.1635 4.2026 4.2026 4.2108 4.2121 4.6328 4.6328 4.6444 4.6452 5.5270 5.5270 6.5106 6.5106 k = 0.1031 0.1404 0.2217 ( 9980 PWs) bands (ev): -23.7934 -23.7934 -14.9840 -14.9840 -14.7546 -14.7546 -14.7546 -14.7546 -13.9450 -13.9450 -13.8702 -13.8702 -13.8702 -13.8702 -9.6007 -9.6007 -7.1491 -7.1491 -6.3017 -6.3017 -6.2907 -6.2905 -5.6830 -5.6830 -5.5413 -5.5413 -5.5395 -5.5375 -4.3020 -4.3020 -3.6434 -3.6317 -3.6317 -3.6207 -3.1972 -3.1768 -3.1705 -3.1705 -3.0128 -3.0128 -2.5607 -2.5607 -1.9999 -1.9999 -1.9676 -1.9649 -1.3793 -1.3644 -1.3612 -1.3612 -1.1783 -1.1783 -0.8164 -0.8164 -0.7611 -0.7611 -0.5346 -0.5346 -0.5167 -0.5133 -0.1926 -0.1824 -0.1683 -0.1683 4.2155 4.2155 4.2237 4.2249 4.6285 4.6285 4.6402 4.6408 5.5089 5.5089 6.4672 6.4672 k = 0.0951 0.1296 0.2046 ( 9968 PWs) bands (ev): -23.7934 -23.7934 -14.9883 -14.9883 -14.7521 -14.7521 -14.7521 -14.7521 -13.9408 -13.9408 -13.8724 -13.8723 -13.8723 -13.8723 -9.6021 -9.6021 -7.1419 -7.1419 -6.3005 -6.3005 -6.2894 -6.2892 -5.7021 -5.7021 -5.5431 -5.5431 -5.5413 -5.5395 -4.2999 -4.2999 -3.6419 -3.6307 -3.6307 -3.6203 -3.1925 -3.1730 -3.1664 -3.1664 -2.9949 -2.9949 -2.5763 -2.5763 -1.9961 -1.9961 -1.9642 -1.9614 -1.3854 -1.3711 -1.3674 -1.3674 -1.1773 -1.1773 -0.8042 -0.8042 -0.7534 -0.7534 -0.5346 -0.5346 -0.5159 -0.5133 -0.1972 -0.1869 -0.1731 -0.1731 4.2279 4.2279 4.2361 4.2373 4.6241 4.6241 4.6359 4.6364 5.4912 5.4912 6.4238 6.4238 k = 0.0872 0.1188 0.1876 ( 9938 PWs) bands (ev): -23.7934 -23.7934 -14.9924 -14.9924 -14.7498 -14.7498 -14.7498 -14.7498 -13.9368 -13.9368 -13.8744 -13.8744 -13.8744 -13.8744 -9.6035 -9.6035 -7.1344 -7.1344 -6.2991 -6.2991 -6.2880 -6.2878 -5.7215 -5.7215 -5.5454 -5.5454 -5.5436 -5.5419 -4.2976 -4.2976 -3.6399 -3.6294 -3.6294 -3.6195 -3.1875 -3.1691 -3.1620 -3.1620 -2.9774 -2.9774 -2.5907 -2.5907 -1.9934 -1.9934 -1.9619 -1.9591 -1.3904 -1.3768 -1.3726 -1.3726 -1.1765 -1.1765 -0.7931 -0.7931 -0.7455 -0.7455 -0.5348 -0.5348 -0.5152 -0.5133 -0.2017 -0.1914 -0.1777 -0.1777 4.2398 4.2398 4.2480 4.2492 4.6198 4.6198 4.6316 4.6320 5.4741 5.4741 6.3810 6.3810 k = 0.0793 0.1080 0.1705 ( 9956 PWs) bands (ev): -23.7934 -23.7934 -14.9963 -14.9963 -14.7476 -14.7476 -14.7476 -14.7476 -13.9330 -13.9330 -13.8763 -13.8763 -13.8763 -13.8763 -9.6050 -9.6050 -7.1267 -7.1267 -6.2976 -6.2976 -6.2864 -6.2862 -5.7408 -5.7408 -5.5480 -5.5480 -5.5463 -5.5446 -4.2951 -4.2951 -3.6375 -3.6278 -3.6278 -3.6185 -3.1824 -3.1652 -3.1576 -3.1576 -2.9607 -2.9607 -2.6040 -2.6040 -1.9916 -1.9916 -1.9607 -1.9579 -1.3944 -1.3816 -1.3770 -1.3770 -1.1761 -1.1761 -0.7832 -0.7832 -0.7376 -0.7376 -0.5351 -0.5351 -0.5147 -0.5134 -0.2059 -0.1958 -0.1821 -0.1821 4.2509 4.2509 4.2592 4.2603 4.6156 4.6156 4.6274 4.6276 5.4578 5.4578 6.3394 6.3394 k = 0.0713 0.0972 0.1535 ( 9962 PWs) bands (ev): -23.7934 -23.7934 -14.9998 -14.9998 -14.7456 -14.7456 -14.7456 -14.7456 -13.9295 -13.9295 -13.8781 -13.8781 -13.8781 -13.8781 -9.6064 -9.6064 -7.1189 -7.1189 -6.2961 -6.2961 -6.2848 -6.2846 -5.7597 -5.7597 -5.5507 -5.5507 -5.5491 -5.5476 -4.2925 -4.2925 -3.6349 -3.6259 -3.6259 -3.6174 -3.1772 -3.1614 -3.1532 -3.1532 -2.9449 -2.9449 -2.6161 -2.6161 -1.9906 -1.9906 -1.9603 -1.9576 -1.3974 -1.3855 -1.3806 -1.3806 -1.1759 -1.1759 -0.7744 -0.7744 -0.7296 -0.7296 -0.5355 -0.5355 -0.5144 -0.5137 -0.2097 -0.2000 -0.1862 -0.1862 4.2613 4.2613 4.2696 4.2706 4.6115 4.6115 4.6234 4.6235 5.4424 5.4424 6.2998 6.2998 k = 0.0634 0.0864 0.1364 ( 9944 PWs) bands (ev): -23.7934 -23.7934 -15.0030 -15.0030 -14.7438 -14.7438 -14.7437 -14.7437 -13.9263 -13.9263 -13.8798 -13.8797 -13.8797 -13.8797 -9.6077 -9.6077 -7.1112 -7.1112 -6.2945 -6.2945 -6.2832 -6.2830 -5.7778 -5.7778 -5.5536 -5.5536 -5.5521 -5.5506 -4.2899 -4.2899 -3.6321 -3.6240 -3.6240 -3.6162 -3.1720 -3.1577 -3.1489 -3.1489 -2.9303 -2.9303 -2.6269 -2.6269 -1.9904 -1.9904 -1.9606 -1.9580 -1.3995 -1.3887 -1.3834 -1.3834 -1.1759 -1.1759 -0.7666 -0.7666 -0.7219 -0.7219 -0.5361 -0.5361 -0.5143 -0.5140 -0.2131 -0.2039 -0.1899 -0.1899 4.2708 4.2708 4.2792 4.2801 4.6077 4.6077 4.6195 4.6195 5.4282 5.4282 6.2626 6.2626 k = 0.0555 0.0756 0.1194 ( 9962 PWs) bands (ev): -23.7934 -23.7934 -15.0059 -15.0059 -14.7421 -14.7421 -14.7421 -14.7421 -13.9233 -13.9233 -13.8812 -13.8812 -13.8812 -13.8812 -9.6090 -9.6090 -7.1038 -7.1038 -6.2930 -6.2930 -6.2815 -6.2814 -5.7947 -5.7947 -5.5565 -5.5565 -5.5550 -5.5537 -4.2874 -4.2874 -3.6292 -3.6220 -3.6220 -3.6150 -3.1671 -3.1543 -3.1449 -3.1449 -2.9169 -2.9169 -2.6366 -2.6366 -1.9908 -1.9908 -1.9614 -1.9591 -1.4009 -1.3911 -1.3855 -1.3855 -1.1761 -1.1761 -0.7598 -0.7598 -0.7146 -0.7146 -0.5367 -0.5367 -0.5144 -0.5143 -0.2160 -0.2075 -0.1932 -0.1932 4.2793 4.2793 4.2878 4.2886 4.6041 4.6041 4.6159 4.6159 5.4153 5.4153 6.2285 6.2285 k = 0.0476 0.0648 0.1023 ( 9956 PWs) bands (ev): -23.7934 -23.7934 -15.0084 -15.0084 -14.7406 -14.7406 -14.7406 -14.7406 -13.9208 -13.9208 -13.8826 -13.8825 -13.8825 -13.8825 -9.6102 -9.6102 -7.0968 -7.0968 -6.2915 -6.2915 -6.2800 -6.2799 -5.8102 -5.8102 -5.5593 -5.5593 -5.5577 -5.5566 -4.2851 -4.2851 -3.6263 -3.6200 -3.6200 -3.6140 -3.1624 -3.1512 -3.1411 -3.1411 -2.9051 -2.9051 -2.6449 -2.6449 -1.9915 -1.9915 -1.9626 -1.9605 -1.4016 -1.3931 -1.3870 -1.3870 -1.1764 -1.1764 -0.7540 -0.7540 -0.7080 -0.7080 -0.5374 -0.5374 -0.5148 -0.5145 -0.2184 -0.2108 -0.1961 -0.1961 4.2868 4.2868 4.2954 4.2961 4.6009 4.6009 4.6125 4.6126 5.4039 5.4039 6.1980 6.1980 k = 0.0396 0.0540 0.0853 ( 9974 PWs) bands (ev): -23.7934 -23.7934 -15.0105 -15.0105 -14.7394 -14.7394 -14.7394 -14.7394 -13.9186 -13.9186 -13.8837 -13.8837 -13.8836 -13.8836 -9.6112 -9.6112 -7.0906 -7.0906 -6.2902 -6.2902 -6.2787 -6.2786 -5.8239 -5.8239 -5.5618 -5.5618 -5.5603 -5.5593 -4.2829 -4.2829 -3.6236 -3.6182 -3.6182 -3.6131 -3.1580 -3.1486 -3.1378 -3.1378 -2.8948 -2.8948 -2.6520 -2.6520 -1.9925 -1.9925 -1.9640 -1.9622 -1.4017 -1.3946 -1.3880 -1.3880 -1.1767 -1.1767 -0.7490 -0.7490 -0.7021 -0.7021 -0.5381 -0.5381 -0.5152 -0.5148 -0.2204 -0.2137 -0.1985 -0.1985 4.2932 4.2932 4.3018 4.3024 4.5981 4.5981 4.6096 4.6098 5.3940 5.3940 6.1714 6.1714 k = 0.0317 0.0432 0.0682 ( 9986 PWs) bands (ev): -23.7934 -23.7934 -15.0123 -15.0123 -14.7384 -14.7383 -14.7383 -14.7383 -13.9167 -13.9167 -13.8846 -13.8846 -13.8846 -13.8846 -9.6120 -9.6120 -7.0852 -7.0852 -6.2891 -6.2891 -6.2775 -6.2774 -5.8356 -5.8356 -5.5640 -5.5640 -5.5625 -5.5617 -4.2811 -4.2811 -3.6210 -3.6166 -3.6166 -3.6126 -3.1542 -3.1465 -3.1349 -3.1349 -2.8863 -2.8863 -2.6579 -2.6579 -1.9935 -1.9935 -1.9653 -1.9639 -1.4015 -1.3957 -1.3887 -1.3887 -1.1771 -1.1771 -0.7449 -0.7449 -0.6972 -0.6972 -0.5387 -0.5387 -0.5156 -0.5152 -0.2218 -0.2163 -0.2005 -0.2005 4.2984 4.2984 4.3072 4.3077 4.5957 4.5957 4.6072 4.6073 5.3857 5.3857 6.1491 6.1491 k = 0.0238 0.0324 0.0512 ( 9992 PWs) bands (ev): -23.7934 -23.7934 -15.0137 -15.0137 -14.7375 -14.7375 -14.7375 -14.7375 -13.9153 -13.9153 -13.8853 -13.8853 -13.8853 -13.8853 -9.6127 -9.6127 -7.0808 -7.0808 -6.2881 -6.2881 -6.2765 -6.2765 -5.8449 -5.8449 -5.5659 -5.5659 -5.5642 -5.5637 -4.2796 -4.2796 -3.6186 -3.6154 -3.6154 -3.6123 -3.1508 -3.1450 -3.1326 -3.1326 -2.8795 -2.8795 -2.6624 -2.6624 -1.9945 -1.9945 -1.9665 -1.9654 -1.4011 -1.3967 -1.3891 -1.3891 -1.1774 -1.1774 -0.7418 -0.7418 -0.6932 -0.6932 -0.5393 -0.5393 -0.5159 -0.5155 -0.2227 -0.2185 -0.2021 -0.2021 4.3026 4.3026 4.3114 4.3118 4.5938 4.5938 4.6052 4.6053 5.3792 5.3792 6.1315 6.1315 k = 0.0159 0.0216 0.0341 ( 9998 PWs) bands (ev): -23.7934 -23.7934 -15.0147 -15.0147 -14.7370 -14.7370 -14.7369 -14.7369 -13.9142 -13.9142 -13.8859 -13.8859 -13.8858 -13.8858 -9.6132 -9.6132 -7.0776 -7.0776 -6.2875 -6.2875 -6.2758 -6.2758 -5.8517 -5.8517 -5.5672 -5.5672 -5.5655 -5.5651 -4.2785 -4.2785 -3.6166 -3.6144 -3.6144 -3.6123 -3.1481 -3.1442 -3.1309 -3.1309 -2.8747 -2.8747 -2.6656 -2.6656 -1.9953 -1.9953 -1.9674 -1.9667 -1.4005 -1.3975 -1.3893 -1.3893 -1.1777 -1.1777 -0.7395 -0.7395 -0.6904 -0.6904 -0.5397 -0.5397 -0.5161 -0.5159 -0.2231 -0.2202 -0.2032 -0.2032 4.3055 4.3055 4.3145 4.3147 4.5924 4.5924 4.6038 4.6039 5.3745 5.3745 6.1188 6.1188 k = 0.0079 0.0108 0.0171 ( 10013 PWs) bands (ev): -23.7934 -23.7934 -15.0153 -15.0153 -14.7366 -14.7366 -14.7366 -14.7366 -13.9136 -13.9136 -13.8862 -13.8862 -13.8862 -13.8862 -9.6135 -9.6135 -7.0756 -7.0756 -6.2870 -6.2870 -6.2753 -6.2753 -5.8559 -5.8559 -5.5680 -5.5680 -5.5663 -5.5661 -4.2779 -4.2779 -3.6150 -3.6138 -3.6138 -3.6128 -3.1461 -3.1441 -3.1298 -3.1298 -2.8717 -2.8717 -2.6676 -2.6676 -1.9958 -1.9958 -1.9679 -1.9676 -1.3998 -1.3983 -1.3894 -1.3894 -1.1778 -1.1778 -0.7381 -0.7381 -0.6886 -0.6886 -0.5400 -0.5400 -0.5162 -0.5161 -0.2230 -0.2216 -0.2038 -0.2038 4.3073 4.3073 4.3163 4.3164 4.5915 4.5915 4.6030 4.6030 5.3717 5.3717 6.1110 6.1110 k = 0.0000 0.0000 0.0000 ( 10007 PWs) bands (ev): -23.7934 -23.7934 -15.0155 -15.0155 -14.7365 -14.7365 -14.7365 -14.7365 -13.9134 -13.9134 -13.8863 -13.8863 -13.8863 -13.8863 -9.6136 -9.6136 -7.0749 -7.0749 -6.2869 -6.2869 -6.2752 -6.2752 -5.8573 -5.8573 -5.5683 -5.5683 -5.5665 -5.5665 -4.2777 -4.2777 -3.6137 -3.6137 -3.6136 -3.6136 -3.1447 -3.1447 -3.1295 -3.1295 -2.8708 -2.8708 -2.6682 -2.6682 -1.9960 -1.9960 -1.9680 -1.9680 -1.3990 -1.3990 -1.3894 -1.3894 -1.1779 -1.1779 -0.7376 -0.7376 -0.6880 -0.6880 -0.5401 -0.5401 -0.5162 -0.5162 -0.2225 -0.2225 -0.2041 -0.2041 4.3079 4.3079 4.3170 4.3170 4.5913 4.5913 4.6027 4.6027 5.3707 5.3707 6.1085 6.1085 k = 0.0000 0.0000 0.0000 ( 10007 PWs) bands (ev): -23.7934 -23.7934 -15.0155 -15.0155 -14.7365 -14.7365 -14.7365 -14.7365 -13.9134 -13.9134 -13.8863 -13.8863 -13.8863 -13.8863 -9.6136 -9.6136 -7.0749 -7.0749 -6.2869 -6.2869 -6.2752 -6.2752 -5.8573 -5.8573 -5.5683 -5.5683 -5.5665 -5.5665 -4.2777 -4.2777 -3.6137 -3.6137 -3.6136 -3.6136 -3.1447 -3.1447 -3.1295 -3.1295 -2.8708 -2.8708 -2.6682 -2.6682 -1.9960 -1.9960 -1.9680 -1.9680 -1.3990 -1.3990 -1.3894 -1.3894 -1.1779 -1.1779 -0.7376 -0.7376 -0.6880 -0.6880 -0.5401 -0.5401 -0.5162 -0.5162 -0.2225 -0.2225 -0.2041 -0.2041 4.3079 4.3079 4.3170 4.3170 4.5913 4.5913 4.6027 4.6027 5.3707 5.3707 6.1085 6.1085 k = 0.0172-0.0127 0.0000 ( 9997 PWs) bands (ev): -23.7934 -23.7934 -15.0153 -15.0153 -14.7366 -14.7366 -14.7366 -14.7366 -13.9142 -13.9142 -13.8862 -13.8862 -13.8856 -13.8856 -9.6136 -9.6136 -7.0751 -7.0750 -6.2867 -6.2865 -6.2749 -6.2749 -5.8573 -5.8571 -5.5687 -5.5683 -5.5667 -5.5666 -4.2778 -4.2777 -3.6136 -3.6135 -3.6135 -3.6132 -3.1448 -3.1447 -3.1299 -3.1290 -2.8712 -2.8710 -2.6681 -2.6663 -1.9967 -1.9959 -1.9682 -1.9682 -1.3998 -1.3997 -1.3902 -1.3898 -1.1769 -1.1760 -0.7388 -0.7380 -0.6890 -0.6887 -0.5410 -0.5393 -0.5162 -0.5162 -0.2224 -0.2223 -0.2040 -0.2036 4.3073 4.3073 4.3164 4.3164 4.5913 4.5913 4.6027 4.6027 5.3708 5.3709 6.1112 6.1112 k = 0.0345-0.0253 0.0000 ( 9995 PWs) bands (ev): -23.7934 -23.7934 -15.0146 -15.0146 -14.7371 -14.7371 -14.7369 -14.7369 -13.9162 -13.9162 -13.8861 -13.8861 -13.8837 -13.8837 -9.6136 -9.6136 -7.0756 -7.0754 -6.2860 -6.2857 -6.2741 -6.2740 -5.8574 -5.8569 -5.5694 -5.5687 -5.5673 -5.5672 -4.2781 -4.2780 -3.6134 -3.6132 -3.6129 -3.6124 -3.1449 -3.1447 -3.1300 -3.1284 -2.8725 -2.8721 -2.6659 -2.6624 -1.9980 -1.9964 -1.9689 -1.9685 -1.4026 -1.4020 -1.3913 -1.3908 -1.1731 -1.1714 -0.7414 -0.7399 -0.6915 -0.6908 -0.5419 -0.5386 -0.5163 -0.5163 -0.2218 -0.2217 -0.2033 -0.2026 4.3054 4.3057 4.3145 4.3147 4.5913 4.5914 4.6028 4.6029 5.3712 5.3713 6.1192 6.1193 k = 0.0517-0.0380 0.0000 ( 9995 PWs) bands (ev): -23.7934 -23.7934 -15.0135 -15.0135 -14.7378 -14.7378 -14.7374 -14.7374 -13.9192 -13.9191 -13.8858 -13.8858 -13.8810 -13.8810 -9.6136 -9.6136 -7.0763 -7.0760 -6.2848 -6.2844 -6.2726 -6.2724 -5.8573 -5.8566 -5.5706 -5.5695 -5.5683 -5.5679 -4.2785 -4.2785 -3.6130 -3.6127 -3.6117 -3.6110 -3.1456 -3.1449 -3.1294 -3.1275 -2.8744 -2.8738 -2.6618 -2.6566 -2.0001 -1.9980 -1.9700 -1.9687 -1.4077 -1.4061 -1.3920 -1.3918 -1.1670 -1.1646 -0.7455 -0.7434 -0.6954 -0.6945 -0.5429 -0.5380 -0.5164 -0.5164 -0.2210 -0.2205 -0.2021 -0.2010 4.3023 4.3030 4.3113 4.3119 4.5912 4.5914 4.6032 4.6032 5.3719 5.3720 6.1326 6.1328 k = 0.0690-0.0506 0.0000 ( 9997 PWs) bands (ev): -23.7934 -23.7934 -15.0120 -15.0120 -14.7389 -14.7388 -14.7381 -14.7380 -13.9227 -13.9226 -13.8854 -13.8854 -13.8779 -13.8778 -9.6135 -9.6135 -7.0772 -7.0769 -6.2833 -6.2828 -6.2704 -6.2701 -5.8572 -5.8563 -5.5723 -5.5707 -5.5697 -5.5690 -4.2791 -4.2791 -3.6125 -3.6120 -3.6101 -3.6092 -3.1471 -3.1455 -3.1279 -3.1258 -2.8770 -2.8763 -2.6558 -2.6489 -2.0036 -2.0007 -1.9713 -1.9682 -1.4146 -1.4119 -1.3925 -1.3921 -1.1592 -1.1562 -0.7510 -0.7482 -0.7009 -0.6996 -0.5440 -0.5376 -0.5167 -0.5165 -0.2201 -0.2189 -0.2004 -0.1987 4.2980 4.2995 4.3069 4.3083 4.5908 4.5910 4.6038 4.6040 5.3729 5.3731 6.1511 6.1514 k = 0.0862-0.0633 0.0000 ( 9993 PWs) bands (ev): -23.7934 -23.7934 -15.0101 -15.0101 -14.7402 -14.7402 -14.7389 -14.7389 -13.9265 -13.9264 -13.8849 -13.8849 -13.8745 -13.8744 -9.6134 -9.6134 -7.0784 -7.0779 -6.2817 -6.2811 -6.2674 -6.2668 -5.8570 -5.8559 -5.5745 -5.5724 -5.5714 -5.5702 -4.2799 -4.2798 -3.6118 -3.6111 -3.6081 -3.6070 -3.1493 -3.1467 -3.1254 -3.1232 -2.8803 -2.8795 -2.6481 -2.6396 -2.0090 -2.0050 -1.9723 -1.9671 -1.4223 -1.4185 -1.3926 -1.3918 -1.1503 -1.1469 -0.7578 -0.7543 -0.7076 -0.7061 -0.5450 -0.5375 -0.5170 -0.5168 -0.2190 -0.2169 -0.1982 -0.1957 4.2926 4.2953 4.3013 4.3040 4.5900 4.5903 4.6049 4.6052 5.3742 5.3744 6.1746 6.1749 k = 0.1034-0.0760 0.0000 ( 9993 PWs) bands (ev): -23.7934 -23.7934 -15.0077 -15.0077 -14.7419 -14.7418 -14.7399 -14.7399 -13.9305 -13.9304 -13.8844 -13.8844 -13.8710 -13.8710 -9.6134 -9.6134 -7.0798 -7.0792 -6.2800 -6.2792 -6.2635 -6.2627 -5.8568 -5.8554 -5.5772 -5.5748 -5.5730 -5.5716 -4.2807 -4.2806 -3.6109 -3.6101 -3.6057 -3.6044 -3.1521 -3.1486 -3.1220 -3.1196 -2.8842 -2.8833 -2.6388 -2.6288 -2.0165 -2.0109 -1.9728 -1.9652 -1.4301 -1.4253 -1.3923 -1.3912 -1.1409 -1.1373 -0.7656 -0.7615 -0.7157 -0.7138 -0.5462 -0.5376 -0.5175 -0.5172 -0.2178 -0.2146 -0.1954 -0.1919 4.2861 4.2904 4.2947 4.2990 4.5887 4.5890 4.6064 4.6067 5.3758 5.3760 6.2027 6.2031 k = 0.1207-0.0886 0.0000 ( 9987 PWs) bands (ev): -23.7934 -23.7934 -15.0050 -15.0050 -14.7438 -14.7438 -14.7411 -14.7411 -13.9346 -13.9345 -13.8837 -13.8837 -13.8676 -13.8675 -9.6133 -9.6132 -7.0813 -7.0807 -6.2782 -6.2772 -6.2588 -6.2578 -5.8564 -5.8548 -5.5804 -5.5778 -5.5747 -5.5733 -4.2816 -4.2815 -3.6098 -3.6090 -3.6030 -3.6015 -3.1552 -3.1509 -3.1177 -3.1150 -2.8887 -2.8878 -2.6282 -2.6168 -2.0259 -2.0188 -1.9727 -1.9628 -1.4374 -1.4316 -1.3917 -1.3902 -1.1315 -1.1278 -0.7745 -0.7698 -0.7249 -0.7227 -0.5474 -0.5379 -0.5181 -0.5177 -0.2167 -0.2122 -0.1918 -0.1873 4.2788 4.2850 4.2874 4.2936 4.5871 4.5874 4.6083 4.6086 5.3777 5.3779 6.2353 6.2357 k = 0.1379-0.1013 0.0000 ( 9993 PWs) bands (ev): -23.7934 -23.7934 -15.0018 -15.0018 -14.7461 -14.7461 -14.7423 -14.7423 -13.9387 -13.9386 -13.8830 -13.8829 -13.8642 -13.8641 -9.6131 -9.6131 -7.0830 -7.0824 -6.2763 -6.2752 -6.2534 -6.2521 -5.8559 -5.8541 -5.5842 -5.5814 -5.5766 -5.5750 -4.2824 -4.2823 -3.6086 -3.6077 -3.6000 -3.5984 -3.1585 -3.1536 -3.1126 -3.1096 -2.8938 -2.8928 -2.6164 -2.6036 -2.0371 -2.0286 -1.9721 -1.9601 -1.4438 -1.4371 -1.3907 -1.3889 -1.1226 -1.1190 -0.7843 -0.7789 -0.7352 -0.7327 -0.5486 -0.5384 -0.5188 -0.5183 -0.2157 -0.2101 -0.1873 -0.1819 4.2708 4.2781 4.2805 4.2878 4.5852 4.5854 4.6103 4.6107 5.3799 5.3802 6.2719 6.2724 k = 0.1552-0.1139 0.0000 ( 9991 PWs) bands (ev): -23.7934 -23.7934 -14.9983 -14.9983 -14.7488 -14.7487 -14.7437 -14.7437 -13.9428 -13.9427 -13.8821 -13.8821 -13.8608 -13.8608 -9.6130 -9.6130 -7.0849 -7.0842 -6.2744 -6.2732 -6.2473 -6.2458 -5.8553 -5.8533 -5.5884 -5.5855 -5.5785 -5.5769 -4.2833 -4.2832 -3.6073 -3.6063 -3.5967 -3.5950 -3.1618 -3.1564 -3.1069 -3.1036 -2.8993 -2.8983 -2.6036 -2.5896 -2.0500 -2.0403 -1.9712 -1.9572 -1.4489 -1.4414 -1.3892 -1.3871 -1.1143 -1.1111 -0.7949 -0.7887 -0.7464 -0.7435 -0.5499 -0.5392 -0.5194 -0.5191 -0.2149 -0.2083 -0.1818 -0.1758 4.2622 4.2693 4.2747 4.2819 4.5830 4.5832 4.6125 4.6128 5.3824 5.3828 6.3123 6.3129 k = 0.1724-0.1266 0.0000 ( 9987 PWs) bands (ev): -23.7934 -23.7934 -14.9944 -14.9943 -14.7517 -14.7517 -14.7452 -14.7452 -13.9468 -13.9467 -13.8812 -13.8812 -13.8576 -13.8576 -9.6129 -9.6129 -7.0869 -7.0861 -6.2724 -6.2710 -6.2406 -6.2390 -5.8545 -5.8523 -5.5932 -5.5902 -5.5805 -5.5789 -4.2841 -4.2839 -3.6058 -3.6047 -3.5933 -3.5914 -3.1649 -3.1592 -3.1006 -3.0969 -2.9052 -2.9042 -2.5900 -2.5750 -2.0645 -2.0538 -1.9701 -1.9543 -1.4526 -1.4443 -1.3872 -1.3848 -1.1071 -1.1044 -0.8063 -0.7991 -0.7584 -0.7551 -0.5511 -0.5401 -0.5201 -0.5200 -0.2144 -0.2069 -0.1754 -0.1689 4.2532 4.2600 4.2691 4.2759 4.5807 4.5807 4.6146 4.6149 5.3853 5.3857 6.3561 6.3568 k = 0.1897-0.1392 0.0000 ( 9989 PWs) bands (ev): -23.7934 -23.7934 -14.9901 -14.9901 -14.7550 -14.7549 -14.7467 -14.7467 -13.9508 -13.9507 -13.8803 -13.8803 -13.8546 -13.8545 -9.6127 -9.6127 -7.0889 -7.0881 -6.2704 -6.2689 -6.2335 -6.2317 -5.8535 -5.8511 -5.5985 -5.5954 -5.5826 -5.5810 -4.2848 -4.2846 -3.6043 -3.6031 -3.5897 -3.5877 -3.1679 -3.1620 -3.0937 -3.0898 -2.9115 -2.9104 -2.5758 -2.5598 -2.0803 -2.0687 -1.9690 -1.9516 -1.4547 -1.4457 -1.3845 -1.3818 -1.1011 -1.0991 -0.8182 -0.8102 -0.7709 -0.7672 -0.5522 -0.5412 -0.5210 -0.5206 -0.2141 -0.2061 -0.1682 -0.1615 4.2440 4.2503 4.2636 4.2699 4.5781 4.5783 4.6167 4.6170 5.3884 5.3888 6.4029 6.4038 k = 0.2069-0.1519 0.0000 ( 9987 PWs) bands (ev): -23.7934 -23.7934 -14.9855 -14.9854 -14.7586 -14.7585 -14.7483 -14.7483 -13.9546 -13.9546 -13.8793 -13.8792 -13.8516 -13.8516 -9.6126 -9.6126 -7.0910 -7.0902 -6.2682 -6.2666 -6.2259 -6.2240 -5.8523 -5.8497 -5.6043 -5.6011 -5.5847 -5.5831 -4.2854 -4.2851 -3.6026 -3.6014 -3.5861 -3.5840 -3.1707 -3.1646 -3.0865 -3.0822 -2.9180 -2.9169 -2.5612 -2.5444 -2.0973 -2.0850 -1.9679 -1.9492 -1.4551 -1.4456 -1.3812 -1.3782 -1.0965 -1.0953 -0.8308 -0.8218 -0.7837 -0.7798 -0.5531 -0.5422 -0.5221 -0.5210 -0.2141 -0.2056 -0.1603 -0.1535 4.2346 4.2404 4.2584 4.2642 4.5754 4.5758 4.6186 4.6189 5.3918 5.3922 6.4526 6.4536 k = 0.2241-0.1646 0.0000 ( 9989 PWs) bands (ev): -23.7934 -23.7934 -14.9805 -14.9805 -14.7625 -14.7624 -14.7499 -14.7499 -13.9584 -13.9583 -13.8782 -13.8782 -13.8489 -13.8488 -9.6124 -9.6124 -7.0931 -7.0923 -6.2660 -6.2644 -6.2181 -6.2161 -5.8508 -5.8481 -5.6106 -5.6073 -5.5868 -5.5852 -4.2858 -4.2855 -3.6008 -3.5996 -3.5824 -3.5802 -3.1731 -3.1670 -3.0789 -3.0743 -2.9247 -2.9235 -2.5464 -2.5289 -2.1153 -2.1024 -1.9671 -1.9471 -1.4540 -1.4439 -1.3771 -1.3739 -1.0937 -1.0928 -0.8440 -0.8341 -0.7966 -0.7924 -0.5538 -0.5432 -0.5232 -0.5212 -0.2144 -0.2057 -0.1520 -0.1452 4.2251 4.2305 4.2534 4.2587 4.5727 4.5733 4.6203 4.6207 5.3954 5.3959 6.5046 6.5057 k = 0.2414-0.1772 0.0000 ( 9975 PWs) bands (ev): -23.7934 -23.7934 -14.9753 -14.9752 -14.7667 -14.7666 -14.7515 -14.7515 -13.9619 -13.9619 -13.8771 -13.8771 -13.8463 -13.8462 -9.6122 -9.6122 -7.0952 -7.0944 -6.2638 -6.2621 -6.2101 -6.2080 -5.8491 -5.8463 -5.6173 -5.6140 -5.5889 -5.5873 -4.2861 -4.2858 -3.5990 -3.5978 -3.5786 -3.5764 -3.1752 -3.1691 -3.0710 -3.0662 -2.9315 -2.9302 -2.5315 -2.5135 -2.1340 -2.1207 -1.9664 -1.9456 -1.4513 -1.4408 -1.3723 -1.3689 -1.0929 -1.0912 -0.8577 -0.8471 -0.8092 -0.8049 -0.5542 -0.5439 -0.5244 -0.5213 -0.2151 -0.2061 -0.1433 -0.1366 4.2158 4.2207 4.2488 4.2535 4.5700 4.5708 4.6217 4.6222 5.3993 5.3998 6.5587 6.5600 k = 0.2586-0.1899 0.0000 ( 9981 PWs) bands (ev): -23.7934 -23.7934 -14.9698 -14.9697 -14.7712 -14.7711 -14.7531 -14.7531 -13.9654 -13.9653 -13.8760 -13.8760 -13.8439 -13.8438 -9.6121 -9.6121 -7.0972 -7.0965 -6.2616 -6.2598 -6.2021 -6.1999 -5.8472 -5.8442 -5.6244 -5.6211 -5.5910 -5.5893 -4.2862 -4.2858 -3.5972 -3.5959 -3.5749 -3.5727 -3.1770 -3.1710 -3.0630 -3.0580 -2.9383 -2.9368 -2.5167 -2.4984 -2.1531 -2.1395 -1.9660 -1.9445 -1.4471 -1.4363 -1.3667 -1.3631 -1.0939 -1.0909 -0.8721 -0.8608 -0.8213 -0.8172 -0.5543 -0.5444 -0.5256 -0.5211 -0.2160 -0.2070 -0.1345 -0.1279 4.2068 4.2111 4.2446 4.2488 4.5674 4.5684 4.6230 4.6236 5.4033 5.4038 6.6145 6.6159 k = 0.2759-0.2025 0.0000 ( 9991 PWs) bands (ev): -23.7934 -23.7934 -14.9640 -14.9639 -14.7760 -14.7759 -14.7546 -14.7546 -13.9686 -13.9686 -13.8749 -13.8749 -13.8416 -13.8416 -9.6119 -9.6119 -7.0992 -7.0985 -6.2593 -6.2576 -6.1940 -6.1918 -5.8449 -5.8418 -5.6319 -5.6285 -5.5929 -5.5914 -4.2862 -4.2858 -3.5953 -3.5941 -3.5713 -3.5690 -3.1785 -3.1726 -3.0550 -3.0498 -2.9450 -2.9433 -2.5022 -2.4837 -2.1725 -2.1587 -1.9659 -1.9440 -1.4417 -1.4305 -1.3604 -1.3565 -1.0964 -1.0920 -0.8871 -0.8754 -0.8328 -0.8289 -0.5541 -0.5444 -0.5268 -0.5207 -0.2173 -0.2082 -0.1256 -0.1193 4.1980 4.2019 4.2408 4.2445 4.5649 4.5662 4.6239 4.6246 5.4074 5.4079 6.6716 6.6733 k = 0.2931-0.2152 0.0000 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9580 -14.9579 -14.7810 -14.7810 -14.7562 -14.7561 -13.9717 -13.9717 -13.8738 -13.8738 -13.8396 -13.8395 -9.6117 -9.6117 -7.1012 -7.1005 -6.2571 -6.2554 -6.1861 -6.1838 -5.8423 -5.8391 -5.6397 -5.6363 -5.5948 -5.5933 -4.2860 -4.2856 -3.5935 -3.5922 -3.5678 -3.5654 -3.1796 -3.1740 -3.0470 -3.0416 -2.9514 -2.9496 -2.4881 -2.4695 -2.1918 -2.1779 -1.9661 -1.9441 -1.4350 -1.4236 -1.3535 -1.3493 -1.1001 -1.0943 -0.9027 -0.8906 -0.8435 -0.8399 -0.5538 -0.5440 -0.5280 -0.5201 -0.2188 -0.2098 -0.1168 -0.1108 4.1896 4.1930 4.2374 4.2406 4.5626 4.5640 4.6247 4.6255 5.4116 5.4121 6.7299 6.7318 k = 0.3103-0.2279 0.0000 ( 10003 PWs) bands (ev): -23.7933 -23.7933 -14.9518 -14.9517 -14.7863 -14.7863 -14.7576 -14.7576 -13.9746 -13.9746 -13.8728 -13.8728 -13.8377 -13.8377 -9.6116 -9.6115 -7.1030 -7.1024 -6.2550 -6.2533 -6.1784 -6.1761 -5.8394 -5.8361 -5.6478 -5.6444 -5.5966 -5.5952 -4.2857 -4.2853 -3.5916 -3.5904 -3.5643 -3.5620 -3.1805 -3.1752 -3.0391 -3.0336 -2.9576 -2.9555 -2.4745 -2.4561 -2.2108 -2.1969 -1.9664 -1.9447 -1.4273 -1.4157 -1.3461 -1.3416 -1.1049 -1.0977 -0.9187 -0.9064 -0.8535 -0.8502 -0.5533 -0.5431 -0.5289 -0.5192 -0.2205 -0.2118 -0.1082 -0.1026 4.1816 4.1847 4.2344 4.2371 4.5605 4.5621 4.6252 4.6261 5.4157 5.4163 6.7888 6.7909 k = 0.3276-0.2405 0.0000 ( 10021 PWs) bands (ev): -23.7933 -23.7933 -14.9454 -14.9453 -14.7919 -14.7918 -14.7590 -14.7590 -13.9773 -13.9772 -13.8717 -13.8717 -13.8360 -13.8360 -9.6114 -9.6114 -7.1048 -7.1041 -6.2529 -6.2513 -6.1709 -6.1688 -5.8361 -5.8328 -5.6560 -5.6526 -5.5983 -5.5969 -4.2853 -4.2848 -3.5898 -3.5887 -3.5610 -3.5587 -3.1811 -3.1762 -3.0315 -3.0259 -2.9634 -2.9610 -2.4616 -2.4436 -2.2292 -2.2153 -1.9670 -1.9458 -1.4188 -1.4069 -1.3384 -1.3334 -1.1103 -1.1018 -0.9352 -0.9225 -0.8628 -0.8598 -0.5528 -0.5420 -0.5295 -0.5182 -0.2225 -0.2140 -0.1000 -0.0947 4.1742 4.1769 4.2319 4.2341 4.5587 4.5604 4.6255 4.6264 5.4199 5.4204 6.8481 6.8505 k = 0.3448-0.2532 0.0000 ( 10023 PWs) bands (ev): -23.7933 -23.7933 -14.9389 -14.9388 -14.7976 -14.7975 -14.7603 -14.7603 -13.9797 -13.9797 -13.8707 -13.8707 -13.8345 -13.8345 -9.6113 -9.6112 -7.1064 -7.1058 -6.2509 -6.2494 -6.1639 -6.1618 -5.8325 -5.8291 -5.6644 -5.6610 -5.5999 -5.5986 -4.2848 -4.2843 -3.5881 -3.5870 -3.5579 -3.5557 -3.1816 -3.1771 -3.0244 -3.0186 -2.9687 -2.9659 -2.4496 -2.4322 -2.2467 -2.2330 -1.9676 -1.9473 -1.4096 -1.3975 -1.3307 -1.3250 -1.1162 -1.1062 -0.9519 -0.9388 -0.8713 -0.8686 -0.5523 -0.5410 -0.5295 -0.5169 -0.2245 -0.2164 -0.0922 -0.0874 4.1674 4.1697 4.2296 4.2315 4.5571 4.5589 4.6256 4.6266 5.4238 5.4243 6.9074 6.9101 k = 0.3621-0.2658 0.0000 ( 10017 PWs) bands (ev): -23.7933 -23.7933 -14.9323 -14.9322 -14.8034 -14.8034 -14.7615 -14.7615 -13.9819 -13.9819 -13.8698 -13.8698 -13.8331 -13.8331 -9.6111 -9.6111 -7.1079 -7.1073 -6.2491 -6.2477 -6.1573 -6.1554 -5.8286 -5.8252 -5.6727 -5.6694 -5.6013 -5.6001 -4.2842 -4.2838 -3.5865 -3.5855 -3.5550 -3.5528 -3.1819 -3.1778 -3.0178 -3.0119 -2.9735 -2.9701 -2.4384 -2.4218 -2.2630 -2.2496 -1.9682 -1.9491 -1.3998 -1.3874 -1.3234 -1.3167 -1.1220 -1.1107 -0.9688 -0.9552 -0.8790 -0.8766 -0.5518 -0.5405 -0.5285 -0.5154 -0.2266 -0.2190 -0.0850 -0.0806 4.1612 4.1632 4.2277 4.2292 4.5557 4.5576 4.6256 4.6266 5.4276 5.4281 6.9663 6.9693 k = 0.3793-0.2785 0.0000 ( 10015 PWs) bands (ev): -23.7933 -23.7933 -14.9257 -14.9256 -14.8094 -14.8093 -14.7626 -14.7626 -13.9839 -13.9839 -13.8689 -13.8689 -13.8320 -13.8319 -9.6110 -9.6110 -7.1092 -7.1087 -6.2474 -6.2461 -6.1513 -6.1495 -5.8244 -5.8211 -5.6809 -5.6777 -5.6025 -5.6015 -4.2836 -4.2832 -3.5850 -3.5841 -3.5523 -3.5503 -3.1821 -3.1785 -3.0119 -3.0059 -2.9775 -2.9736 -2.4283 -2.4127 -2.2780 -2.2650 -1.9687 -1.9512 -1.3897 -1.3771 -1.3167 -1.3089 -1.1274 -1.1147 -0.9855 -0.9714 -0.8860 -0.8838 -0.5513 -0.5406 -0.5266 -0.5139 -0.2287 -0.2217 -0.0784 -0.0744 4.1557 4.1573 4.2262 4.2273 4.5547 4.5565 4.6254 4.6265 5.4311 5.4316 7.0245 7.0278 k = 0.3966-0.2912 0.0000 ( 10015 PWs) bands (ev): -23.7933 -23.7933 -14.9191 -14.9191 -14.8153 -14.8153 -14.7636 -14.7635 -13.9856 -13.9856 -13.8682 -13.8682 -13.8310 -13.8309 -9.6109 -9.6108 -7.1103 -7.1099 -6.2458 -6.2447 -6.1459 -6.1443 -5.8200 -5.8168 -5.6889 -5.6858 -5.6036 -5.6027 -4.2830 -4.2827 -3.5837 -3.5828 -3.5498 -3.5480 -3.1822 -3.1791 -3.0069 -3.0008 -2.9807 -2.9762 -2.4193 -2.4050 -2.2913 -2.2790 -1.9691 -1.9534 -1.3793 -1.3665 -1.3113 -1.3020 -1.1318 -1.1177 -1.0019 -0.9873 -0.8921 -0.8902 -0.5507 -0.5412 -0.5240 -0.5124 -0.2306 -0.2243 -0.0724 -0.0690 4.1508 4.1522 4.2249 4.2258 4.5539 4.5556 4.6252 4.6262 5.4344 5.4347 7.0814 7.0850 k = 0.4138-0.3038 0.0000 ( 10007 PWs) bands (ev): -23.7933 -23.7933 -14.9128 -14.9127 -14.8212 -14.8211 -14.7644 -14.7644 -13.9871 -13.9871 -13.8675 -13.8675 -13.8301 -13.8301 -9.6107 -9.6107 -7.1113 -7.1109 -6.2445 -6.2435 -6.1412 -6.1398 -5.8155 -5.8125 -5.6964 -5.6935 -5.6045 -5.6037 -4.2825 -4.2821 -3.5825 -3.5817 -3.5476 -3.5460 -3.1822 -3.1796 -3.0031 -2.9970 -2.9827 -2.9778 -2.4115 -2.3987 -2.3026 -2.2912 -1.9692 -1.9557 -1.3690 -1.3559 -1.3074 -1.2966 -1.1346 -1.1195 -1.0177 -1.0028 -0.8974 -0.8958 -0.5501 -0.5420 -0.5211 -0.5110 -0.2324 -0.2269 -0.0673 -0.0644 4.1467 4.1478 4.2238 4.2245 4.5533 4.5549 4.6250 4.6259 5.4372 5.4375 7.1364 7.1405 k = 0.4310-0.3165 0.0000 ( 10003 PWs) bands (ev): -23.7933 -23.7933 -14.9067 -14.9067 -14.8268 -14.8268 -14.7651 -14.7651 -13.9883 -13.9883 -13.8669 -13.8669 -13.8294 -13.8294 -9.6107 -9.6106 -7.1121 -7.1118 -6.2433 -6.2425 -6.1372 -6.1361 -5.8111 -5.8084 -5.7032 -5.7007 -5.6053 -5.6046 -4.2820 -4.2817 -3.5814 -3.5808 -3.5458 -3.5444 -3.1822 -3.1802 -3.0004 -2.9950 -2.9831 -2.9785 -2.4048 -2.3939 -2.3118 -2.3016 -1.9691 -1.9580 -1.3588 -1.3455 -1.3053 -1.2932 -1.1354 -1.1197 -1.0324 -1.0177 -0.9018 -0.9005 -0.5495 -0.5430 -0.5182 -0.5099 -0.2339 -0.2293 -0.0629 -0.0606 4.1433 4.1442 4.2230 4.2235 4.5529 4.5543 4.6247 4.6255 5.4396 5.4398 7.1764 7.1788 k = 0.4483-0.3291 0.0000 ( 10017 PWs) bands (ev): -23.7933 -23.7933 -14.9012 -14.9012 -14.8320 -14.8319 -14.7656 -14.7656 -13.9892 -13.9892 -13.8665 -13.8665 -13.8289 -13.8289 -9.6106 -9.6106 -7.1127 -7.1125 -6.2424 -6.2418 -6.1340 -6.1332 -5.8070 -5.8047 -5.7091 -5.7069 -5.6059 -5.6054 -4.2815 -4.2813 -3.5806 -3.5802 -3.5442 -3.5432 -3.1821 -3.1806 -2.9989 -2.9948 -2.9819 -2.9784 -2.3994 -2.3906 -2.3186 -2.3102 -1.9687 -1.9602 -1.3490 -1.3359 -1.3050 -1.2922 -1.1340 -1.1188 -1.0454 -1.0315 -0.9052 -0.9042 -0.5489 -0.5439 -0.5155 -0.5091 -0.2349 -0.2314 -0.0594 -0.0576 4.1407 4.1413 4.2224 4.2227 4.5528 4.5538 4.6245 4.6252 5.4415 5.4417 7.1692 7.1701 k = 0.4655-0.3418 0.0000 ( 10023 PWs) bands (ev): -23.7933 -23.7933 -14.8967 -14.8966 -14.8363 -14.8362 -14.7660 -14.7660 -13.9899 -13.9899 -13.8661 -13.8661 -13.8286 -13.8285 -9.6105 -9.6105 -7.1132 -7.1130 -6.2417 -6.2413 -6.1317 -6.1311 -5.8035 -5.8019 -5.7135 -5.7119 -5.6062 -5.6059 -4.2812 -4.2810 -3.5800 -3.5797 -3.5431 -3.5423 -3.1820 -3.1810 -2.9980 -2.9954 -2.9803 -2.9780 -2.3951 -2.3890 -2.3228 -2.3168 -1.9680 -1.9622 -1.3398 -1.3278 -1.3058 -1.2937 -1.1304 -1.1176 -1.0554 -1.0438 -0.9076 -0.9070 -0.5482 -0.5449 -0.5131 -0.5088 -0.2356 -0.2332 -0.0568 -0.0556 4.1388 4.1393 4.2220 4.2222 4.5527 4.5534 4.6244 4.6249 5.4429 5.4430 7.1628 7.1634 k = 0.4828-0.3544 0.0000 ( 10013 PWs) bands (ev): -23.7933 -23.7933 -14.8936 -14.8936 -14.8392 -14.8392 -14.7662 -14.7662 -13.9903 -13.9903 -13.8659 -13.8659 -13.8283 -13.8283 -9.6105 -9.6105 -7.1134 -7.1134 -6.2412 -6.2410 -6.1302 -6.1299 -5.8010 -5.8001 -5.7162 -5.7154 -5.6064 -5.6063 -4.2810 -4.2809 -3.5796 -3.5794 -3.5423 -3.5419 -3.1819 -3.1814 -2.9974 -2.9962 -2.9789 -2.9779 -2.3919 -2.3888 -2.3246 -2.3215 -1.9670 -1.9641 -1.3318 -1.3237 -1.3055 -1.2972 -1.1254 -1.1177 -1.0607 -1.0537 -0.9090 -0.9087 -0.5475 -0.5458 -0.5112 -0.5091 -0.2358 -0.2345 -0.0551 -0.0545 4.1378 4.1380 4.2217 4.2218 4.5528 4.5532 4.6244 4.6246 5.4438 5.4439 7.1590 7.1593 k = 0.5000-0.3671 0.0000 ( 10018 PWs) bands (ev): -23.7933 -23.7933 -14.8925 -14.8925 -14.8403 -14.8403 -14.7663 -14.7663 -13.9905 -13.9905 -13.8659 -13.8659 -13.8283 -13.8283 -9.6105 -9.6105 -7.1135 -7.1135 -6.2410 -6.2410 -6.1296 -6.1296 -5.7998 -5.7998 -5.7169 -5.7169 -5.6065 -5.6065 -4.2809 -4.2809 -3.5794 -3.5794 -3.5419 -3.5419 -3.1817 -3.1817 -2.9968 -2.9968 -2.9781 -2.9781 -2.3898 -2.3898 -2.3241 -2.3241 -1.9657 -1.9657 -1.3257 -1.3257 -1.3018 -1.3018 -1.1206 -1.1206 -1.0600 -1.0600 -0.9094 -0.9094 -0.5467 -0.5467 -0.5098 -0.5098 -0.2354 -0.2354 -0.0543 -0.0543 4.1375 4.1375 4.2217 4.2217 4.5529 4.5529 4.6244 4.6244 5.4441 5.4441 7.1578 7.1578 k = 0.5000-0.3671 0.0000 ( 10018 PWs) bands (ev): -23.7933 -23.7933 -14.8925 -14.8925 -14.8403 -14.8403 -14.7663 -14.7663 -13.9905 -13.9905 -13.8659 -13.8659 -13.8283 -13.8283 -9.6105 -9.6105 -7.1135 -7.1135 -6.2410 -6.2410 -6.1296 -6.1296 -5.7998 -5.7998 -5.7169 -5.7169 -5.6065 -5.6065 -4.2809 -4.2809 -3.5794 -3.5794 -3.5419 -3.5419 -3.1817 -3.1817 -2.9968 -2.9968 -2.9781 -2.9781 -2.3898 -2.3898 -2.3241 -2.3241 -1.9657 -1.9657 -1.3257 -1.3257 -1.3018 -1.3018 -1.1206 -1.1206 -1.0600 -1.0600 -0.9094 -0.9094 -0.5467 -0.5467 -0.5098 -0.5098 -0.2354 -0.2354 -0.0543 -0.0543 4.1375 4.1375 4.2217 4.2217 4.5529 4.5529 4.6244 4.6244 5.4441 5.4441 7.1578 7.1578 k = 0.5064-0.3584-0.0184 ( 10016 PWs) bands (ev): -23.7933 -23.7933 -14.8924 -14.8924 -14.8402 -14.8402 -14.7665 -14.7665 -13.9904 -13.9904 -13.8658 -13.8658 -13.8284 -13.8284 -9.6105 -9.6105 -7.1137 -7.1137 -6.2406 -6.2405 -6.1297 -6.1297 -5.7999 -5.7997 -5.7166 -5.7166 -5.6066 -5.6066 -4.2809 -4.2808 -3.5796 -3.5795 -3.5424 -3.5421 -3.1809 -3.1808 -2.9969 -2.9965 -2.9780 -2.9780 -2.3905 -2.3899 -2.3255 -2.3248 -1.9650 -1.9643 -1.3262 -1.3256 -1.3017 -1.3017 -1.1208 -1.1205 -1.0613 -1.0607 -0.9097 -0.9097 -0.5467 -0.5463 -0.5101 -0.5096 -0.2350 -0.2342 -0.0547 -0.0544 4.1379 4.1380 4.2215 4.2216 4.5534 4.5535 4.6244 4.6245 5.4436 5.4436 7.1548 7.1554 k = 0.5128-0.3497-0.0369 ( 10010 PWs) bands (ev): -23.7933 -23.7933 -14.8921 -14.8920 -14.8399 -14.8399 -14.7672 -14.7671 -13.9902 -13.9902 -13.8657 -13.8657 -13.8287 -13.8287 -9.6105 -9.6105 -7.1144 -7.1143 -6.2392 -6.2390 -6.1299 -6.1299 -5.7999 -5.7997 -5.7157 -5.7157 -5.6072 -5.6072 -4.2808 -4.2806 -3.5803 -3.5800 -3.5435 -3.5429 -3.1786 -3.1784 -2.9968 -2.9960 -2.9778 -2.9778 -2.3921 -2.3909 -2.3287 -2.3273 -1.9623 -1.9611 -1.3269 -1.3258 -1.3012 -1.3011 -1.1211 -1.1204 -1.0646 -1.0634 -0.9107 -0.9106 -0.5462 -0.5455 -0.5103 -0.5092 -0.2330 -0.2313 -0.0556 -0.0549 4.1394 4.1395 4.2212 4.2213 4.5548 4.5550 4.6245 4.6245 5.4420 5.4420 7.1469 7.1480 k = 0.5192-0.3409-0.0553 ( 10012 PWs) bands (ev): -23.7933 -23.7933 -14.8915 -14.8915 -14.8394 -14.8394 -14.7682 -14.7682 -13.9899 -13.9899 -13.8656 -13.8656 -13.8293 -13.8292 -9.6106 -9.6105 -7.1154 -7.1153 -6.2370 -6.2367 -6.1303 -6.1302 -5.8000 -5.7997 -5.7143 -5.7143 -5.6081 -5.6081 -4.2807 -4.2804 -3.5813 -3.5810 -3.5453 -3.5444 -3.1747 -3.1745 -2.9966 -2.9953 -2.9775 -2.9774 -2.3946 -2.3927 -2.3337 -2.3318 -1.9579 -1.9562 -1.3279 -1.3262 -1.3003 -1.3002 -1.1214 -1.1203 -1.0700 -1.0682 -0.9122 -0.9121 -0.5453 -0.5443 -0.5105 -0.5089 -0.2295 -0.2270 -0.0568 -0.0557 4.1418 4.1420 4.2207 4.2208 4.5572 4.5575 4.6245 4.6246 5.4394 5.4394 7.1347 7.1361 k = 0.5256-0.3322-0.0737 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.8909 -14.8908 -14.8387 -14.8387 -14.7696 -14.7696 -13.9894 -13.9894 -13.8653 -13.8653 -13.8300 -13.8300 -9.6106 -9.6106 -7.1168 -7.1166 -6.2339 -6.2335 -6.1308 -6.1307 -5.8000 -5.7996 -5.7123 -5.7123 -5.6094 -5.6093 -4.2805 -4.2801 -3.5827 -3.5823 -3.5478 -3.5466 -3.1692 -3.1690 -2.9961 -2.9944 -2.9770 -2.9769 -2.3979 -2.3954 -2.3402 -2.3377 -1.9519 -1.9497 -1.3292 -1.3270 -1.2990 -1.2989 -1.1218 -1.1204 -1.0772 -1.0748 -0.9143 -0.9140 -0.5440 -0.5428 -0.5106 -0.5084 -0.2246 -0.2214 -0.0584 -0.0571 4.1451 4.1454 4.2200 4.2202 4.5605 4.5608 4.6246 4.6247 5.4358 5.4359 7.1190 7.1207 k = 0.5320-0.3235-0.0922 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.8900 -14.8900 -14.8378 -14.8378 -14.7715 -14.7715 -13.9888 -13.9888 -13.8650 -13.8650 -13.8310 -13.8310 -9.6106 -9.6106 -7.1186 -7.1184 -6.2300 -6.2295 -6.1314 -6.1313 -5.8001 -5.7996 -5.7098 -5.7097 -5.6109 -5.6109 -4.2803 -4.2798 -3.5845 -3.5840 -3.5508 -3.5494 -3.1622 -3.1619 -2.9954 -2.9934 -2.9764 -2.9763 -2.4020 -2.3989 -2.3477 -2.3450 -1.9446 -1.9421 -1.3308 -1.3280 -1.2973 -1.2971 -1.1223 -1.1207 -1.0862 -1.0831 -0.9166 -0.9162 -0.5423 -0.5411 -0.5106 -0.5079 -0.2184 -0.2147 -0.0604 -0.0587 4.1492 4.1495 4.2193 4.2196 4.5645 4.5648 4.6248 4.6249 5.4312 5.4313 7.1009 7.1027 k = 0.5384-0.3148-0.1106 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8889 -14.8889 -14.8367 -14.8367 -14.7737 -14.7736 -13.9881 -13.9881 -13.8647 -13.8647 -13.8322 -13.8322 -9.6107 -9.6107 -7.1207 -7.1204 -6.2253 -6.2248 -6.1322 -6.1321 -5.8001 -5.7996 -5.7067 -5.7066 -5.6128 -5.6127 -4.2800 -4.2795 -3.5867 -3.5862 -3.5544 -3.5528 -3.1537 -3.1534 -2.9946 -2.9923 -2.9758 -2.9757 -2.4070 -2.4032 -2.3561 -2.3533 -1.9363 -1.9336 -1.3326 -1.3293 -1.2951 -1.2949 -1.1230 -1.1212 -1.0966 -1.0929 -0.9192 -0.9187 -0.5403 -0.5392 -0.5106 -0.5072 -0.2111 -0.2070 -0.0627 -0.0608 4.1540 4.1544 4.2186 4.2189 4.5691 4.5695 4.6250 4.6252 5.4257 5.4258 7.0810 7.0830 k = 0.5448-0.3061-0.1291 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.8877 -14.8877 -14.8355 -14.8355 -14.7762 -14.7762 -13.9873 -13.9873 -13.8643 -13.8643 -13.8335 -13.8335 -9.6108 -9.6108 -7.1231 -7.1228 -6.2201 -6.2194 -6.1331 -6.1330 -5.8000 -5.7995 -5.7031 -5.7030 -5.6149 -5.6148 -4.2798 -4.2792 -3.5893 -3.5888 -3.5586 -3.5568 -3.1438 -3.1436 -2.9936 -2.9910 -2.9751 -2.9750 -2.4127 -2.4084 -2.3650 -2.3622 -1.9273 -1.9245 -1.3346 -1.3308 -1.2926 -1.2924 -1.1242 -1.1226 -1.1077 -1.1038 -0.9219 -0.9212 -0.5381 -0.5373 -0.5104 -0.5064 -0.2031 -0.1987 -0.0652 -0.0632 4.1594 4.1598 4.2180 4.2183 4.5742 4.5747 4.6254 4.6256 5.4193 5.4193 7.0602 7.0622 k = 0.5512-0.2973-0.1475 ( 9995 PWs) bands (ev): -23.7933 -23.7933 -14.8863 -14.8863 -14.8341 -14.8340 -14.7791 -14.7791 -13.9864 -13.9864 -13.8638 -13.8638 -13.8351 -13.8351 -9.6108 -9.6108 -7.1257 -7.1255 -6.2143 -6.2136 -6.1341 -6.1340 -5.7999 -5.7993 -5.6990 -5.6989 -5.6171 -5.6171 -4.2795 -4.2788 -3.5922 -3.5918 -3.5633 -3.5614 -3.1324 -3.1323 -2.9925 -2.9897 -2.9744 -2.9743 -2.4192 -2.4144 -2.3742 -2.3714 -1.9180 -1.9152 -1.3367 -1.3325 -1.2897 -1.2894 -1.1276 -1.1269 -1.1164 -1.1143 -0.9246 -0.9237 -0.5358 -0.5353 -0.5101 -0.5054 -0.1944 -0.1898 -0.0679 -0.0658 4.1653 4.1657 4.2175 4.2178 4.5798 4.5802 4.6259 4.6261 5.4120 5.4121 7.0391 7.0410 k = 0.5576-0.2886-0.1659 ( 9993 PWs) bands (ev): -23.7933 -23.7933 -14.8848 -14.8848 -14.8325 -14.8325 -14.7822 -14.7822 -13.9854 -13.9854 -13.8633 -13.8632 -13.8368 -13.8368 -9.6109 -9.6109 -7.1286 -7.1284 -6.2080 -6.2073 -6.1352 -6.1351 -5.7997 -5.7991 -5.6944 -5.6943 -5.6196 -5.6195 -4.2792 -4.2786 -3.5954 -3.5951 -3.5685 -3.5665 -3.1199 -3.1199 -2.9913 -2.9883 -2.9738 -2.9736 -2.4263 -2.4211 -2.3834 -2.3808 -1.9085 -1.9058 -1.3389 -1.3343 -1.2865 -1.2860 -1.1393 -1.1351 -1.1205 -1.1195 -0.9271 -0.9261 -0.5335 -0.5334 -0.5096 -0.5042 -0.1853 -0.1807 -0.0708 -0.0686 4.1715 4.1719 4.2172 4.2175 4.5855 4.5860 4.6266 4.6268 5.4039 5.4040 7.0181 7.0199 k = 0.5640-0.2799-0.1844 ( 9987 PWs) bands (ev): -23.7933 -23.7933 -14.8833 -14.8832 -14.8307 -14.8307 -14.7856 -14.7856 -13.9843 -13.9843 -13.8627 -13.8627 -13.8387 -13.8387 -9.6110 -9.6110 -7.1317 -7.1315 -6.2015 -6.2008 -6.1365 -6.1364 -5.7994 -5.7988 -5.6893 -5.6892 -5.6221 -5.6220 -4.2790 -4.2783 -3.5989 -3.5987 -3.5742 -3.5720 -3.1063 -3.1062 -2.9900 -2.9869 -2.9732 -2.9730 -2.4338 -2.4284 -2.3925 -2.3901 -1.8993 -1.8967 -1.3411 -1.3361 -1.2831 -1.2824 -1.1534 -1.1480 -1.1226 -1.1207 -0.9294 -0.9283 -0.5316 -0.5314 -0.5089 -0.5029 -0.1760 -0.1715 -0.0738 -0.0716 4.1778 4.1783 4.2172 4.2175 4.5914 4.5919 4.6275 4.6277 5.3952 5.3953 6.9976 6.9992 k = 0.5704-0.2712-0.2028 ( 9995 PWs) bands (ev): -23.7933 -23.7933 -14.8816 -14.8816 -14.8289 -14.8288 -14.7892 -14.7892 -13.9832 -13.9832 -13.8621 -13.8620 -13.8407 -13.8407 -9.6111 -9.6111 -7.1350 -7.1347 -6.1948 -6.1941 -6.1379 -6.1377 -5.7989 -5.7984 -5.6839 -5.6838 -5.6246 -5.6246 -4.2788 -4.2782 -3.6027 -3.6026 -3.5802 -3.5780 -3.0918 -3.0915 -2.9886 -2.9856 -2.9728 -2.9726 -2.4415 -2.4362 -2.4014 -2.3991 -1.8903 -1.8880 -1.3431 -1.3380 -1.2795 -1.2786 -1.1684 -1.1624 -1.1237 -1.1216 -0.9315 -0.9303 -0.5300 -0.5294 -0.5081 -0.5015 -0.1667 -0.1624 -0.0767 -0.0747 4.1843 4.1847 4.2175 4.2178 4.5973 4.5977 4.6285 4.6289 5.3859 5.3859 6.9779 6.9794 k = 0.5768-0.2625-0.2212 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8799 -14.8799 -14.8269 -14.8268 -14.7929 -14.7929 -13.9819 -13.9819 -13.8614 -13.8614 -13.8428 -13.8428 -9.6111 -9.6111 -7.1384 -7.1381 -6.1881 -6.1874 -6.1393 -6.1392 -5.7984 -5.7979 -5.6780 -5.6779 -5.6271 -5.6271 -4.2788 -4.2782 -3.6067 -3.6066 -3.5866 -3.5845 -3.0765 -3.0760 -2.9873 -2.9844 -2.9725 -2.9722 -2.4493 -2.4442 -2.4101 -2.4078 -1.8820 -1.8798 -1.3451 -1.3398 -1.2759 -1.2746 -1.1835 -1.1773 -1.1243 -1.1222 -0.9332 -0.9321 -0.5285 -0.5277 -0.5070 -0.5001 -0.1576 -0.1536 -0.0796 -0.0777 4.1906 4.1910 4.2181 4.2184 4.6030 4.6034 4.6298 4.6302 5.3761 5.3761 6.9594 6.9607 k = 0.5832-0.2538-0.2397 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.8783 -14.8783 -14.8247 -14.8247 -14.7967 -14.7967 -13.9807 -13.9807 -13.8607 -13.8607 -13.8450 -13.8450 -9.6112 -9.6112 -7.1418 -7.1416 -6.1816 -6.1810 -6.1409 -6.1407 -5.7977 -5.7972 -5.6718 -5.6717 -5.6294 -5.6294 -4.2789 -4.2783 -3.6109 -3.6106 -3.5932 -3.5912 -3.0606 -3.0600 -2.9861 -2.9834 -2.9724 -2.9720 -2.4569 -2.4523 -2.4183 -2.4161 -1.8743 -1.8725 -1.3468 -1.3417 -1.2724 -1.2708 -1.1984 -1.1923 -1.1246 -1.1227 -0.9345 -0.9334 -0.5272 -0.5264 -0.5059 -0.4988 -0.1488 -0.1453 -0.0822 -0.0806 4.1967 4.1971 4.2192 4.2194 4.6084 4.6088 4.6313 4.6318 5.3659 5.3660 6.9421 6.9432 k = 0.5896-0.2450-0.2581 ( 9993 PWs) bands (ev): -23.7933 -23.7933 -14.8768 -14.8767 -14.8225 -14.8225 -14.8004 -14.8004 -13.9793 -13.9793 -13.8600 -13.8600 -13.8473 -13.8473 -9.6112 -9.6112 -7.1453 -7.1451 -6.1754 -6.1749 -6.1424 -6.1422 -5.7968 -5.7964 -5.6652 -5.6651 -5.6316 -5.6316 -4.2791 -4.2787 -3.6152 -3.6147 -3.6002 -3.5983 -3.0444 -3.0436 -2.9849 -2.9827 -2.9725 -2.9720 -2.4642 -2.4602 -2.4261 -2.4239 -1.8675 -1.8660 -1.3484 -1.3436 -1.2693 -1.2672 -1.2128 -1.2069 -1.1245 -1.1227 -0.9354 -0.9344 -0.5262 -0.5253 -0.5047 -0.4976 -0.1407 -0.1376 -0.0845 -0.0832 4.2025 4.2028 4.2206 4.2208 4.6135 4.6138 4.6331 4.6336 5.3556 5.3557 6.9263 6.9271 k = 0.5960-0.2363-0.2766 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8754 -14.8754 -14.8202 -14.8202 -14.8041 -14.8040 -13.9780 -13.9780 -13.8593 -13.8592 -13.8497 -13.8497 -9.6112 -9.6112 -7.1488 -7.1487 -6.1698 -6.1694 -6.1439 -6.1437 -5.7958 -5.7955 -5.6584 -5.6583 -5.6335 -5.6335 -4.2796 -4.2792 -3.6195 -3.6187 -3.6073 -3.6056 -3.0283 -3.0273 -2.9840 -2.9823 -2.9727 -2.9720 -2.4708 -2.4676 -2.4333 -2.4310 -1.8617 -1.8605 -1.3498 -1.3456 -1.2668 -1.2641 -1.2262 -1.2208 -1.1237 -1.1223 -0.9358 -0.9350 -0.5253 -0.5246 -0.5036 -0.4966 -0.1334 -0.1308 -0.0862 -0.0853 4.2078 4.2081 4.2225 4.2226 4.6181 4.6183 4.6351 4.6356 5.3452 5.3453 6.9120 6.9126 k = 0.6024-0.2276-0.2950 ( 9998 PWs) bands (ev): -23.7933 -23.7933 -14.8744 -14.8744 -14.8178 -14.8178 -14.8075 -14.8074 -13.9766 -13.9766 -13.8585 -13.8585 -13.8521 -13.8521 -9.6112 -9.6112 -7.1523 -7.1522 -6.1651 -6.1648 -6.1452 -6.1450 -5.7946 -5.7944 -5.6513 -5.6512 -5.6350 -5.6349 -4.2803 -4.2800 -3.6236 -3.6225 -3.6144 -3.6131 -3.0125 -3.0115 -2.9834 -2.9823 -2.9729 -2.9720 -2.4767 -2.4745 -2.4397 -2.4374 -1.8570 -1.8562 -1.3511 -1.3479 -1.2654 -1.2621 -1.2380 -1.2336 -1.1221 -1.1211 -0.9357 -0.9351 -0.5246 -0.5241 -0.5027 -0.4958 -0.1273 -0.1252 -0.0872 -0.0867 4.2126 4.2127 4.2249 4.2250 4.6221 4.6222 4.6372 4.6378 5.3350 5.3351 6.8994 6.8998 k = 0.6088-0.2189-0.3134 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.8738 -14.8738 -14.8154 -14.8154 -14.8104 -14.8104 -13.9751 -13.9751 -13.8577 -13.8577 -13.8546 -13.8545 -9.6112 -9.6112 -7.1558 -7.1557 -6.1616 -6.1615 -6.1459 -6.1458 -5.7932 -5.7932 -5.6440 -5.6439 -5.6360 -5.6360 -4.2812 -4.2811 -3.6279 -3.6262 -3.6214 -3.6207 -2.9978 -2.9969 -2.9830 -2.9827 -2.9726 -2.9718 -2.4816 -2.4805 -2.4452 -2.4429 -1.8534 -1.8530 -1.3526 -1.3507 -1.2658 -1.2620 -1.2471 -1.2443 -1.1195 -1.1190 -0.9350 -0.9347 -0.5241 -0.5238 -0.5020 -0.4953 -0.1228 -0.1211 -0.0870 -0.0869 4.2166 4.2167 4.2277 4.2278 4.6255 4.6255 4.6396 4.6403 5.3251 5.3251 6.8884 6.8886 k = 0.6152-0.2102-0.3319 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8737 -14.8737 -14.8129 -14.8129 -14.8129 -14.8129 -13.9737 -13.9737 -13.8570 -13.8570 -13.8570 -13.8570 -9.6111 -9.6111 -7.1591 -7.1591 -6.1600 -6.1600 -6.1457 -6.1456 -5.7917 -5.7917 -5.6367 -5.6367 -5.6363 -5.6362 -4.2824 -4.2824 -3.6327 -3.6305 -3.6275 -3.6275 -2.9873 -2.9868 -2.9822 -2.9822 -2.9700 -2.9700 -2.4854 -2.4854 -2.4496 -2.4474 -1.8510 -1.8510 -1.3543 -1.3543 -1.2688 -1.2651 -1.2518 -1.2518 -1.1158 -1.1158 -0.9338 -0.9338 -0.5238 -0.5238 -0.5015 -0.4951 -0.1201 -0.1187 -0.0857 -0.0857 4.2201 4.2201 4.2308 4.2309 4.6282 4.6282 4.6421 4.6428 5.3157 5.3157 6.8791 6.8791 k = 0.6152-0.2102-0.3319 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8737 -14.8737 -14.8129 -14.8129 -14.8129 -14.8129 -13.9737 -13.9737 -13.8570 -13.8570 -13.8570 -13.8570 -9.6111 -9.6111 -7.1591 -7.1591 -6.1600 -6.1600 -6.1457 -6.1456 -5.7917 -5.7917 -5.6367 -5.6367 -5.6363 -5.6362 -4.2824 -4.2824 -3.6327 -3.6305 -3.6275 -3.6275 -2.9873 -2.9868 -2.9822 -2.9822 -2.9700 -2.9700 -2.4854 -2.4854 -2.4496 -2.4474 -1.8510 -1.8510 -1.3543 -1.3543 -1.2688 -1.2651 -1.2518 -1.2518 -1.1158 -1.1158 -0.9338 -0.9338 -0.5238 -0.5238 -0.5015 -0.4951 -0.1201 -0.1187 -0.0857 -0.0857 4.2201 4.2201 4.2308 4.2309 4.6282 4.6282 4.6421 4.6428 5.3157 5.3157 6.8791 6.8791 k = 0.6229-0.1997-0.3153 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.8730 -14.8730 -14.8134 -14.8134 -14.8133 -14.8133 -13.9776 -13.9776 -13.8548 -13.8547 -13.8547 -13.8547 -9.6113 -9.6113 -7.1504 -7.1504 -6.1619 -6.1619 -6.1477 -6.1475 -5.7952 -5.7952 -5.6461 -5.6461 -5.6456 -5.6456 -4.2788 -4.2788 -3.6182 -3.6163 -3.6135 -3.6135 -3.0006 -3.0005 -2.9903 -2.9903 -2.9815 -2.9815 -2.4749 -2.4749 -2.4392 -2.4368 -1.8557 -1.8557 -1.3461 -1.3461 -1.2570 -1.2530 -1.2405 -1.2405 -1.1263 -1.1263 -0.9371 -0.9371 -0.5239 -0.5239 -0.5024 -0.4953 -0.1249 -0.1232 -0.0907 -0.0907 4.2115 4.2115 4.2221 4.2221 4.6219 4.6219 4.6355 4.6362 5.3405 5.3405 6.9004 6.9004 k = 0.6306-0.1892-0.2988 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.8724 -14.8724 -14.8138 -14.8138 -14.8138 -14.8138 -13.9814 -13.9814 -13.8525 -13.8525 -13.8525 -13.8525 -9.6113 -9.6113 -7.1424 -7.1424 -6.1643 -6.1643 -6.1502 -6.1500 -5.7973 -5.7973 -5.6544 -5.6544 -5.6540 -5.6539 -4.2756 -4.2756 -3.6044 -3.6030 -3.6003 -3.6003 -3.0142 -3.0138 -3.0008 -3.0008 -2.9913 -2.9913 -2.4638 -2.4638 -2.4282 -2.4257 -1.8615 -1.8615 -1.3382 -1.3382 -1.2456 -1.2410 -1.2295 -1.2295 -1.1362 -1.1362 -0.9397 -0.9397 -0.5238 -0.5238 -0.5032 -0.4954 -0.1298 -0.1277 -0.0958 -0.0958 4.2026 4.2026 4.2131 4.2132 4.6160 4.6160 4.6294 4.6300 5.3659 5.3659 6.9178 6.9178 k = 0.6383-0.1788-0.2823 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8719 -14.8719 -14.8141 -14.8141 -14.8141 -14.8141 -13.9852 -13.9852 -13.8504 -13.8503 -13.8503 -13.8503 -9.6112 -9.6112 -7.1352 -7.1352 -6.1674 -6.1674 -6.1534 -6.1532 -5.7979 -5.7979 -5.6616 -5.6616 -5.6611 -5.6610 -4.2727 -4.2727 -3.5917 -3.5907 -3.5881 -3.5881 -3.0278 -3.0269 -3.0127 -3.0127 -3.0000 -3.0000 -2.4521 -2.4521 -2.4166 -2.4141 -1.8686 -1.8686 -1.3305 -1.3305 -1.2345 -1.2295 -1.2189 -1.2189 -1.1450 -1.1450 -0.9416 -0.9416 -0.5238 -0.5238 -0.5041 -0.4955 -0.1346 -0.1323 -0.1009 -0.1009 4.1935 4.1935 4.2039 4.2041 4.6107 4.6107 4.6239 4.6244 5.3916 5.3916 6.9306 6.9306 k = 0.6460-0.1683-0.2658 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8716 -14.8716 -14.8144 -14.8143 -14.8143 -14.8143 -13.9889 -13.9889 -13.8483 -13.8482 -13.8482 -13.8482 -9.6110 -9.6110 -7.1290 -7.1290 -6.1710 -6.1710 -6.1572 -6.1569 -5.7968 -5.7968 -5.6675 -5.6675 -5.6669 -5.6668 -4.2704 -4.2704 -3.5800 -3.5797 -3.5771 -3.5771 -3.0412 -3.0396 -3.0250 -3.0250 -3.0087 -3.0087 -2.4399 -2.4399 -2.4045 -2.4019 -1.8770 -1.8770 -1.3233 -1.3233 -1.2240 -1.2185 -1.2090 -1.2090 -1.1528 -1.1528 -0.9426 -0.9426 -0.5237 -0.5237 -0.5050 -0.4956 -0.1394 -0.1367 -0.1060 -0.1060 4.1843 4.1843 4.1945 4.1948 4.6061 4.6061 4.6192 4.6195 5.4174 5.4174 6.9386 6.9386 k = 0.6536-0.1578-0.2492 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8715 -14.8715 -14.8145 -14.8145 -14.8144 -14.8144 -13.9924 -13.9924 -13.8463 -13.8463 -13.8463 -13.8462 -9.6107 -9.6107 -7.1238 -7.1238 -6.1752 -6.1752 -6.1616 -6.1613 -5.7940 -5.7940 -5.6720 -5.6720 -5.6713 -5.6712 -4.2684 -4.2684 -3.5701 -3.5696 -3.5673 -3.5673 -3.0543 -3.0520 -3.0372 -3.0372 -3.0177 -3.0177 -2.4271 -2.4271 -2.3919 -2.3892 -1.8869 -1.8869 -1.3164 -1.3164 -1.2142 -1.2082 -1.1998 -1.1998 -1.1591 -1.1591 -0.9429 -0.9429 -0.5236 -0.5236 -0.5058 -0.4957 -0.1440 -0.1410 -0.1108 -0.1108 4.1749 4.1749 4.1850 4.1854 4.6025 4.6025 4.6153 4.6156 5.4432 5.4432 6.9425 6.9425 k = 0.6613-0.1474-0.2327 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8715 -14.8715 -14.8145 -14.8145 -14.8144 -14.8144 -13.9958 -13.9958 -13.8444 -13.8444 -13.8444 -13.8444 -9.6103 -9.6103 -7.1197 -7.1197 -6.1801 -6.1801 -6.1666 -6.1663 -5.7894 -5.7894 -5.6752 -5.6752 -5.6743 -5.6742 -4.2669 -4.2669 -3.5619 -3.5605 -3.5590 -3.5590 -3.0671 -3.0640 -3.0491 -3.0491 -3.0272 -3.0272 -2.4138 -2.4138 -2.3787 -2.3760 -1.8983 -1.8983 -1.3099 -1.3099 -1.2053 -1.1987 -1.1916 -1.1916 -1.1638 -1.1638 -0.9423 -0.9423 -0.5235 -0.5235 -0.5067 -0.4958 -0.1483 -0.1451 -0.1154 -0.1154 4.1654 4.1654 4.1753 4.1758 4.5998 4.5998 4.6125 4.6126 5.4688 5.4688 6.9436 6.9436 k = 0.6690-0.1369-0.2162 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.8718 -14.8718 -14.8143 -14.8143 -14.8143 -14.8143 -13.9990 -13.9990 -13.8427 -13.8427 -13.8427 -13.8426 -9.6097 -9.6097 -7.1167 -7.1167 -6.1854 -6.1854 -6.1722 -6.1718 -5.7831 -5.7831 -5.6769 -5.6769 -5.6760 -5.6758 -4.2659 -4.2659 -3.5552 -3.5528 -3.5521 -3.5521 -3.0795 -3.0755 -3.0607 -3.0607 -3.0372 -3.0372 -2.4000 -2.4000 -2.3650 -2.3623 -1.9112 -1.9112 -1.3037 -1.3037 -1.1973 -1.1902 -1.1846 -1.1846 -1.1667 -1.1667 -0.9410 -0.9410 -0.5235 -0.5235 -0.5076 -0.4959 -0.1523 -0.1488 -0.1197 -0.1197 4.1558 4.1558 4.1656 4.1662 4.5982 4.5982 4.6107 4.6108 5.4939 5.4939 6.9431 6.9431 k = 0.6767-0.1264-0.1997 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8723 -14.8723 -14.8141 -14.8141 -14.8140 -14.8140 -14.0019 -14.0019 -13.8411 -13.8411 -13.8411 -13.8411 -9.6090 -9.6090 -7.1150 -7.1150 -6.1913 -6.1913 -6.1783 -6.1778 -5.7750 -5.7750 -5.6773 -5.6773 -5.6762 -5.6760 -4.2652 -4.2652 -3.5500 -3.5466 -3.5466 -3.5465 -3.0914 -3.0864 -3.0718 -3.0718 -3.0476 -3.0476 -2.3857 -2.3857 -2.3508 -2.3482 -1.9258 -1.9258 -1.2979 -1.2979 -1.1905 -1.1827 -1.1793 -1.1793 -1.1674 -1.1674 -0.9389 -0.9389 -0.5234 -0.5234 -0.5085 -0.4961 -0.1559 -0.1521 -0.1235 -0.1235 4.1462 4.1462 4.1559 4.1565 4.5977 4.5977 4.6099 4.6102 5.5183 5.5183 6.9423 6.9423 k = 0.6844-0.1160-0.1832 ( 9985 PWs) bands (ev): -23.7933 -23.7933 -14.8731 -14.8731 -14.8136 -14.8136 -14.8136 -14.8136 -14.0046 -14.0046 -13.8397 -13.8397 -13.8397 -13.8397 -9.6083 -9.6083 -7.1144 -7.1144 -6.1976 -6.1976 -6.1848 -6.1843 -5.7653 -5.7653 -5.6763 -5.6763 -5.6751 -5.6749 -4.2650 -4.2650 -3.5464 -3.5426 -3.5426 -3.5417 -3.1028 -3.0967 -3.0824 -3.0824 -3.0585 -3.0585 -2.3710 -2.3710 -2.3361 -2.3337 -1.9418 -1.9418 -1.2924 -1.2924 -1.1848 -1.1765 -1.1757 -1.1757 -1.1657 -1.1657 -0.9360 -0.9360 -0.5235 -0.5235 -0.5095 -0.4963 -0.1589 -0.1549 -0.1268 -0.1268 4.1366 4.1366 4.1463 4.1469 4.5983 4.5983 4.6103 4.6107 5.5419 5.5419 6.9420 6.9420 k = 0.6921-0.1055-0.1666 ( 9967 PWs) bands (ev): -23.7933 -23.7933 -14.8742 -14.8742 -14.8131 -14.8131 -14.8130 -14.8130 -14.0069 -14.0069 -13.8385 -13.8385 -13.8385 -13.8385 -9.6074 -9.6074 -7.1149 -7.1149 -6.2042 -6.2042 -6.1916 -6.1911 -5.7542 -5.7542 -5.6741 -5.6741 -5.6727 -5.6725 -4.2652 -4.2652 -3.5443 -3.5401 -3.5401 -3.5383 -3.1137 -3.1064 -3.0926 -3.0926 -3.0696 -3.0696 -2.3559 -2.3559 -2.3211 -2.3187 -1.9594 -1.9594 -1.2871 -1.2871 -1.1803 -1.1730 -1.1730 -1.1715 -1.1628 -1.1628 -0.9325 -0.9325 -0.5237 -0.5237 -0.5105 -0.4967 -0.1614 -0.1573 -0.1296 -0.1296 4.1272 4.1272 4.1368 4.1375 4.6000 4.6000 4.6117 4.6124 5.5644 5.5644 6.9426 6.9426 k = 0.6997-0.0951-0.1501 ( 9973 PWs) bands (ev): -23.7933 -23.7933 -14.8755 -14.8755 -14.8123 -14.8123 -14.8123 -14.8123 -14.0089 -14.0089 -13.8375 -13.8374 -13.8374 -13.8374 -9.6064 -9.6064 -7.1164 -7.1164 -6.2111 -6.2111 -6.1987 -6.1982 -5.7418 -5.7418 -5.6708 -5.6708 -5.6692 -5.6689 -4.2657 -4.2657 -3.5436 -3.5389 -3.5389 -3.5362 -3.1241 -3.1156 -3.1022 -3.1022 -3.0810 -3.0810 -2.3404 -2.3404 -2.3057 -2.3034 -1.9783 -1.9783 -1.2819 -1.2819 -1.1773 -1.1701 -1.1701 -1.1678 -1.1598 -1.1598 -0.9284 -0.9284 -0.5240 -0.5240 -0.5116 -0.4972 -0.1632 -0.1591 -0.1318 -0.1318 4.1181 4.1181 4.1276 4.1283 4.6027 4.6027 4.6142 4.6150 5.5857 5.5857 6.9442 6.9442 k = 0.7074-0.0846-0.1336 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8772 -14.8772 -14.8115 -14.8115 -14.8114 -14.8114 -14.0105 -14.0105 -13.8367 -13.8366 -13.8366 -13.8366 -9.6053 -9.6053 -7.1189 -7.1189 -6.2181 -6.2181 -6.2059 -6.2054 -5.7282 -5.7282 -5.6664 -5.6664 -5.6647 -5.6643 -4.2666 -4.2666 -3.5443 -3.5390 -3.5390 -3.5355 -3.1339 -3.1241 -3.1114 -3.1114 -3.0924 -3.0924 -2.3247 -2.3247 -2.2899 -2.2878 -1.9985 -1.9985 -1.2769 -1.2769 -1.1755 -1.1671 -1.1671 -1.1656 -1.1565 -1.1565 -0.9237 -0.9237 -0.5244 -0.5244 -0.5128 -0.4979 -0.1645 -0.1603 -0.1335 -0.1335 4.1093 4.1093 4.1188 4.1195 4.6062 4.6062 4.6175 4.6185 5.6056 5.6056 6.9468 6.9468 k = 0.7151-0.0741-0.1171 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8792 -14.8792 -14.8104 -14.8104 -14.8104 -14.8104 -14.0118 -14.0118 -13.8360 -13.8360 -13.8360 -13.8360 -9.6042 -9.6042 -7.1222 -7.1222 -6.2252 -6.2252 -6.2132 -6.2127 -5.7138 -5.7138 -5.6610 -5.6610 -5.6592 -5.6588 -4.2677 -4.2677 -3.5462 -3.5403 -3.5403 -3.5359 -3.1432 -3.1322 -3.1200 -3.1200 -3.1038 -3.1038 -2.3086 -2.3086 -2.2739 -2.2720 -2.0198 -2.0198 -1.2720 -1.2720 -1.1752 -1.1652 -1.1652 -1.1647 -1.1519 -1.1519 -0.9186 -0.9186 -0.5250 -0.5250 -0.5140 -0.4987 -0.1650 -0.1610 -0.1345 -0.1345 4.1011 4.1011 4.1105 4.1112 4.6105 4.6105 4.6215 4.6228 5.6239 5.6239 6.9500 6.9500 k = 0.7228-0.0637-0.1005 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.8815 -14.8815 -14.8092 -14.8092 -14.8092 -14.8092 -14.0126 -14.0126 -13.8356 -13.8356 -13.8356 -13.8356 -9.6031 -9.6031 -7.1262 -7.1262 -6.2323 -6.2323 -6.2205 -6.2199 -5.6988 -5.6988 -5.6548 -5.6548 -5.6530 -5.6525 -4.2692 -4.2692 -3.5493 -3.5427 -3.5427 -3.5375 -3.1519 -3.1397 -3.1282 -3.1282 -3.1149 -3.1149 -2.2924 -2.2924 -2.2577 -2.2559 -2.0421 -2.0421 -1.2671 -1.2671 -1.1763 -1.1653 -1.1653 -1.1652 -1.1453 -1.1453 -0.9130 -0.9130 -0.5257 -0.5257 -0.5153 -0.4996 -0.1650 -0.1611 -0.1349 -0.1349 4.0935 4.0935 4.1030 4.1036 4.6152 4.6152 4.6262 4.6276 5.6405 5.6405 6.9533 6.9533 k = 0.7305-0.0532-0.0840 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8840 -14.8840 -14.8078 -14.8078 -14.8078 -14.8078 -14.0130 -14.0130 -13.8355 -13.8354 -13.8354 -13.8354 -9.6019 -9.6019 -7.1308 -7.1308 -6.2393 -6.2393 -6.2277 -6.2271 -5.6835 -5.6835 -5.6480 -5.6480 -5.6460 -5.6455 -4.2709 -4.2709 -3.5533 -3.5460 -3.5460 -3.5400 -3.1602 -3.1467 -3.1360 -3.1360 -3.1255 -3.1255 -2.2761 -2.2761 -2.2413 -2.2396 -2.0653 -2.0653 -1.2622 -1.2622 -1.1787 -1.1672 -1.1671 -1.1671 -1.1369 -1.1369 -0.9071 -0.9071 -0.5265 -0.5265 -0.5166 -0.5007 -0.1644 -0.1608 -0.1349 -0.1349 4.0868 4.0868 4.0962 4.0969 4.6204 4.6204 4.6312 4.6328 5.6552 5.6552 6.9561 6.9561 k = 0.7305-0.0532-0.0840 ( 9991 PWs) bands (ev): -23.7933 -23.7933 -14.8840 -14.8840 -14.8078 -14.8078 -14.8078 -14.8078 -14.0130 -14.0130 -13.8355 -13.8354 -13.8354 -13.8354 -9.6019 -9.6019 -7.1308 -7.1308 -6.2393 -6.2393 -6.2277 -6.2271 -5.6835 -5.6835 -5.6480 -5.6480 -5.6460 -5.6455 -4.2709 -4.2709 -3.5533 -3.5460 -3.5460 -3.5400 -3.1602 -3.1467 -3.1360 -3.1360 -3.1255 -3.1255 -2.2761 -2.2761 -2.2413 -2.2396 -2.0653 -2.0653 -1.2622 -1.2622 -1.1787 -1.1672 -1.1671 -1.1671 -1.1369 -1.1369 -0.9071 -0.9071 -0.5265 -0.5265 -0.5166 -0.5007 -0.1644 -0.1608 -0.1349 -0.1349 4.0868 4.0868 4.0962 4.0969 4.6204 4.6204 4.6312 4.6328 5.6552 5.6552 6.9561 6.9561 k = 0.7195-0.0432-0.0682 ( 9989 PWs) bands (ev): -23.7933 -23.7933 -14.8860 -14.8860 -14.8087 -14.8087 -14.8049 -14.8049 -14.0130 -14.0130 -13.8361 -13.8361 -13.8349 -13.8349 -9.6011 -9.6011 -7.1339 -7.1339 -6.2450 -6.2449 -6.2308 -6.2302 -5.6753 -5.6738 -5.6441 -5.6425 -5.6405 -5.6398 -4.2722 -4.2722 -3.5566 -3.5491 -3.5482 -3.5421 -3.1676 -3.1558 -3.1376 -3.1376 -3.1319 -3.1297 -2.2663 -2.2653 -2.2309 -2.2293 -2.0809 -2.0796 -1.2607 -1.2591 -1.1823 -1.1727 -1.1704 -1.1638 -1.1312 -1.1282 -0.9031 -0.9029 -0.5276 -0.5272 -0.5171 -0.5013 -0.1640 -0.1606 -0.1346 -0.1343 4.0832 4.0832 4.0927 4.0933 4.6234 4.6234 4.6348 4.6364 5.6628 5.6629 6.9583 6.9583 k = 0.7085-0.0332-0.0524 ( 9987 PWs) bands (ev): -23.7933 -23.7933 -14.8884 -14.8884 -14.8092 -14.8091 -14.8019 -14.8019 -14.0126 -14.0126 -13.8367 -13.8367 -13.8347 -13.8347 -9.6004 -9.6004 -7.1373 -7.1373 -6.2522 -6.2521 -6.2319 -6.2315 -5.6693 -5.6661 -5.6386 -5.6351 -5.6343 -5.6334 -4.2739 -4.2738 -3.5611 -3.5534 -3.5506 -3.5443 -3.1778 -3.1680 -3.1409 -3.1376 -3.1348 -3.1269 -2.2574 -2.2549 -2.2212 -2.2195 -2.0963 -2.0935 -1.2614 -1.2580 -1.1865 -1.1764 -1.1732 -1.1636 -1.1227 -1.1183 -0.8988 -0.8985 -0.5297 -0.5285 -0.5167 -0.5016 -0.1635 -0.1603 -0.1341 -0.1334 4.0805 4.0806 4.0902 4.0908 4.6258 4.6259 4.6387 4.6403 5.6684 5.6686 6.9615 6.9616 k = 0.6975-0.0232-0.0366 ( 9992 PWs) bands (ev): -23.7933 -23.7933 -14.8912 -14.8912 -14.8093 -14.8092 -14.7989 -14.7989 -14.0119 -14.0119 -13.8373 -13.8373 -13.8349 -13.8349 -9.5997 -9.5997 -7.1408 -7.1408 -6.2598 -6.2597 -6.2322 -6.2319 -5.6649 -5.6605 -5.6314 -5.6287 -5.6264 -5.6254 -4.2759 -4.2757 -3.5668 -3.5591 -3.5528 -3.5465 -3.1890 -3.1804 -3.1454 -3.1421 -3.1299 -3.1205 -2.2495 -2.2450 -2.2125 -2.2104 -2.1111 -2.1064 -1.2649 -1.2599 -1.1886 -1.1779 -1.1763 -1.1649 -1.1130 -1.1079 -0.8942 -0.8938 -0.5323 -0.5303 -0.5159 -0.5015 -0.1627 -0.1599 -0.1335 -0.1326 4.0789 4.0790 4.0886 4.0891 4.6279 4.6281 4.6427 4.6443 5.6719 5.6721 6.9656 6.9658 k = 0.6866-0.0132-0.0208 ( 9992 PWs) bands (ev): -23.7933 -23.7933 -14.8943 -14.8942 -14.8090 -14.8090 -14.7960 -14.7960 -14.0109 -14.0109 -13.8380 -13.8380 -13.8353 -13.8353 -9.5991 -9.5991 -7.1445 -7.1445 -6.2675 -6.2673 -6.2321 -6.2318 -5.6614 -5.6563 -5.6241 -5.6228 -5.6180 -5.6149 -4.2782 -4.2780 -3.5737 -3.5660 -3.5549 -3.5486 -3.2003 -3.1926 -3.1495 -3.1459 -3.1232 -3.1125 -2.2430 -2.2357 -2.2053 -2.2023 -2.1245 -2.1176 -1.2714 -1.2653 -1.1877 -1.1796 -1.1775 -1.1661 -1.1031 -1.0976 -0.8894 -0.8890 -0.5352 -0.5325 -0.5147 -0.5011 -0.1616 -0.1591 -0.1331 -0.1319 4.0783 4.0784 4.0879 4.0884 4.6298 4.6301 4.6464 4.6480 5.6733 5.6736 6.9704 6.9705 k = 0.6756-0.0032-0.0050 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.8975 -14.8975 -14.8085 -14.8085 -14.7930 -14.7930 -14.0096 -14.0096 -13.8386 -13.8386 -13.8361 -13.8361 -9.5985 -9.5985 -7.1482 -7.1482 -6.2750 -6.2748 -6.2315 -6.2313 -5.6582 -5.6527 -5.6178 -5.6171 -5.6082 -5.6041 -4.2808 -4.2805 -3.5814 -3.5738 -3.5568 -3.5507 -3.2114 -3.2045 -3.1530 -3.1491 -3.1151 -3.1034 -2.2386 -2.2273 -2.2006 -2.1956 -2.1354 -2.1263 -1.2804 -1.2739 -1.1861 -1.1808 -1.1779 -1.1647 -1.0932 -1.0876 -0.8846 -0.8843 -0.5383 -0.5351 -0.5133 -0.5004 -0.1603 -0.1580 -0.1328 -0.1313 4.0788 4.0790 4.0883 4.0887 4.6317 4.6320 4.6498 4.6514 5.6727 5.6731 6.9755 6.9757 k = 0.6646 0.0068 0.0108 ( 9998 PWs) bands (ev): -23.7933 -23.7933 -14.9010 -14.9009 -14.8078 -14.8078 -14.7902 -14.7902 -14.0080 -14.0080 -13.8393 -13.8393 -13.8372 -13.8372 -9.5979 -9.5979 -7.1521 -7.1521 -6.2822 -6.2820 -6.2307 -6.2306 -5.6550 -5.6492 -5.6121 -5.6117 -5.5979 -5.5933 -4.2836 -4.2833 -3.5897 -3.5824 -3.5587 -3.5528 -3.2222 -3.2159 -3.1558 -3.1516 -3.1057 -3.0932 -2.2369 -2.2205 -2.1994 -2.1905 -2.1421 -2.1315 -1.2913 -1.2846 -1.1894 -1.1806 -1.1752 -1.1594 -1.0837 -1.0781 -0.8798 -0.8796 -0.5414 -0.5379 -0.5118 -0.4994 -0.1590 -0.1569 -0.1324 -0.1308 4.0803 4.0804 4.0897 4.0901 4.6335 4.6339 4.6527 4.6543 5.6702 5.6706 6.9809 6.9811 k = 0.6536 0.0168 0.0266 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.9045 -14.9044 -14.8069 -14.8069 -14.7874 -14.7874 -14.0061 -14.0061 -13.8399 -13.8399 -13.8386 -13.8386 -9.5974 -9.5974 -7.1560 -7.1559 -6.2891 -6.2889 -6.2296 -6.2295 -5.6516 -5.6456 -5.6067 -5.6064 -5.5878 -5.5829 -4.2868 -4.2864 -3.5985 -3.5914 -3.5606 -3.5549 -3.2325 -3.2268 -3.1582 -3.1537 -3.0952 -3.0822 -2.2383 -2.2173 -2.2007 -2.1869 -2.1437 -2.1330 -1.3032 -1.2967 -1.1939 -1.1848 -1.1668 -1.1516 -1.0747 -1.0691 -0.8751 -0.8751 -0.5444 -0.5408 -0.5102 -0.4984 -0.1580 -0.1561 -0.1318 -0.1300 4.0823 4.0825 4.0925 4.0928 4.6353 4.6356 4.6551 4.6567 5.6660 5.6665 6.9864 6.9866 k = 0.6427 0.0269 0.0424 ( 9997 PWs) bands (ev): -23.7933 -23.7933 -14.9080 -14.9079 -14.8060 -14.8059 -14.7847 -14.7847 -14.0040 -14.0039 -13.8405 -13.8405 -13.8402 -13.8402 -9.5970 -9.5970 -7.1598 -7.1598 -6.2957 -6.2955 -6.2283 -6.2283 -5.6480 -5.6419 -5.6017 -5.6014 -5.5780 -5.5729 -4.2901 -4.2897 -3.6074 -3.6008 -3.5623 -3.5570 -3.2423 -3.2372 -3.1600 -3.1553 -3.0838 -3.0704 -2.2427 -2.2214 -2.1995 -2.1844 -2.1412 -2.1314 -1.3158 -1.3095 -1.1987 -1.1896 -1.1572 -1.1423 -1.0663 -1.0607 -0.8709 -0.8707 -0.5472 -0.5436 -0.5086 -0.4972 -0.1576 -0.1558 -0.1306 -0.1288 4.0849 4.0850 4.0966 4.0969 4.6370 4.6373 4.6569 4.6585 5.6603 5.6608 6.9920 6.9921 k = 0.6317 0.0369 0.0582 ( 10010 PWs) bands (ev): -23.7933 -23.7933 -14.9114 -14.9114 -14.8049 -14.8049 -14.7821 -14.7821 -14.0016 -14.0016 -13.8421 -13.8421 -13.8411 -13.8411 -9.5966 -9.5966 -7.1636 -7.1636 -6.3019 -6.3017 -6.2270 -6.2269 -5.6442 -5.6380 -5.5969 -5.5967 -5.5688 -5.5636 -4.2935 -4.2931 -3.6164 -3.6102 -3.5640 -3.5590 -3.2515 -3.2470 -3.1614 -3.1566 -3.0716 -3.0582 -2.2495 -2.2307 -2.1963 -2.1825 -2.1366 -2.1276 -1.3285 -1.3226 -1.2037 -1.1948 -1.1467 -1.1321 -1.0585 -1.0531 -0.8670 -0.8665 -0.5499 -0.5463 -0.5071 -0.4962 -0.1580 -0.1562 -0.1286 -0.1269 4.0877 4.0879 4.1020 4.1023 4.6386 4.6389 4.6582 4.6598 5.6533 5.6538 6.9976 6.9977 k = 0.6207 0.0469 0.0740 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.9148 -14.9148 -14.8039 -14.8038 -14.7796 -14.7796 -13.9991 -13.9990 -13.8442 -13.8441 -13.8417 -13.8417 -9.5962 -9.5962 -7.1674 -7.1673 -6.3076 -6.3074 -6.2254 -6.2254 -5.6402 -5.6340 -5.5925 -5.5923 -5.5602 -5.5550 -4.2971 -4.2967 -3.6253 -3.6195 -3.5656 -3.5610 -3.2602 -3.2561 -3.1624 -3.1576 -3.0590 -3.0456 -2.2576 -2.2415 -2.1932 -2.1812 -2.1309 -2.1227 -1.3411 -1.3355 -1.2088 -1.2002 -1.1357 -1.1215 -1.0514 -1.0461 -0.8634 -0.8626 -0.5522 -0.5489 -0.5056 -0.4952 -0.1593 -0.1575 -0.1259 -0.1244 4.0908 4.0910 4.1085 4.1088 4.6401 4.6404 4.6589 4.6605 5.6453 5.6458 7.0031 7.0032 k = 0.6097 0.0569 0.0898 ( 10008 PWs) bands (ev): -23.7933 -23.7933 -14.9180 -14.9180 -14.8028 -14.8028 -14.7773 -14.7773 -13.9964 -13.9964 -13.8464 -13.8464 -13.8423 -13.8422 -9.5959 -9.5959 -7.1709 -7.1709 -6.3130 -6.3128 -6.2239 -6.2238 -5.6360 -5.6299 -5.5884 -5.5882 -5.5524 -5.5472 -4.3007 -4.3003 -3.6338 -3.6286 -3.5672 -3.5629 -3.2682 -3.2646 -3.1631 -3.1583 -3.0460 -3.0330 -2.2663 -2.2526 -2.1909 -2.1805 -2.1249 -2.1174 -1.3533 -1.3481 -1.2138 -1.2056 -1.1245 -1.1107 -1.0449 -1.0398 -0.8602 -0.8590 -0.5543 -0.5512 -0.5042 -0.4943 -0.1613 -0.1594 -0.1227 -0.1214 4.0941 4.0943 4.1159 4.1161 4.6415 4.6418 4.6591 4.6607 5.6365 5.6371 7.0088 7.0088 k = 0.5988 0.0669 0.1056 ( 10015 PWs) bands (ev): -23.7934 -23.7934 -14.9210 -14.9210 -14.8018 -14.8018 -14.7752 -14.7752 -13.9937 -13.9936 -13.8487 -13.8487 -13.8428 -13.8428 -9.5956 -9.5956 -7.1743 -7.1743 -6.3178 -6.3177 -6.2223 -6.2221 -5.6317 -5.6258 -5.5846 -5.5845 -5.5453 -5.5402 -4.3043 -4.3038 -3.6418 -3.6371 -3.5686 -3.5647 -3.2755 -3.2723 -3.1635 -3.1589 -3.0330 -3.0206 -2.2750 -2.2633 -2.1895 -2.1805 -2.1188 -2.1119 -1.3648 -1.3600 -1.2186 -1.2110 -1.1132 -1.0999 -1.0391 -1.0343 -0.8573 -0.8559 -0.5562 -0.5534 -0.5030 -0.4936 -0.1637 -0.1619 -0.1192 -0.1180 4.0976 4.0977 4.1239 4.1241 4.6428 4.6429 4.6589 4.6604 5.6274 5.6280 7.0144 7.0145 k = 0.5878 0.0769 0.1214 ( 10016 PWs) bands (ev): -23.7934 -23.7934 -14.9238 -14.9238 -14.8008 -14.8008 -14.7732 -14.7732 -13.9909 -13.9909 -13.8511 -13.8511 -13.8433 -13.8432 -9.5954 -9.5954 -7.1775 -7.1775 -6.3222 -6.3221 -6.2207 -6.2205 -5.6275 -5.6218 -5.5812 -5.5811 -5.5390 -5.5341 -4.3077 -4.3073 -3.6493 -3.6452 -3.5699 -3.5665 -3.2821 -3.2794 -3.1637 -3.1594 -3.0202 -3.0085 -2.2833 -2.2734 -2.1891 -2.1812 -2.1129 -2.1067 -1.3755 -1.3712 -1.2232 -1.2162 -1.1022 -1.0895 -1.0339 -1.0294 -0.8548 -0.8531 -0.5577 -0.5552 -0.5019 -0.4932 -0.1664 -0.1646 -0.1156 -0.1146 4.1011 4.1012 4.1323 4.1325 4.6438 4.6439 4.6583 4.6598 5.6181 5.6187 7.0201 7.0201 k = 0.5768 0.0869 0.1372 ( 10010 PWs) bands (ev): -23.7933 -23.7933 -14.9263 -14.9263 -14.7999 -14.7999 -14.7715 -14.7715 -13.9882 -13.9882 -13.8535 -13.8535 -13.8437 -13.8437 -9.5952 -9.5952 -7.1804 -7.1804 -6.3262 -6.3260 -6.2192 -6.2190 -5.6233 -5.6179 -5.5782 -5.5781 -5.5335 -5.5288 -4.3110 -4.3106 -3.6561 -3.6525 -3.5710 -3.5680 -3.2879 -3.2857 -3.1637 -3.1597 -3.0080 -2.9972 -2.2909 -2.2825 -2.1893 -2.1824 -2.1074 -2.1018 -1.3852 -1.3814 -1.2274 -1.2212 -1.0916 -1.0797 -1.0294 -1.0252 -0.8526 -0.8508 -0.5591 -0.5569 -0.5008 -0.4929 -0.1692 -0.1674 -0.1121 -0.1112 4.1045 4.1046 4.1408 4.1409 4.6445 4.6446 4.6576 4.6590 5.6091 5.6096 7.0258 7.0258 k = 0.5658 0.0969 0.1530 ( 10014 PWs) bands (ev): -23.7934 -23.7934 -14.9286 -14.9285 -14.7991 -14.7991 -14.7699 -14.7699 -13.9856 -13.9856 -13.8558 -13.8558 -13.8441 -13.8441 -9.5950 -9.5950 -7.1830 -7.1830 -6.3296 -6.3295 -6.2177 -6.2176 -5.6193 -5.6144 -5.5755 -5.5754 -5.5287 -5.5244 -4.3140 -4.3136 -3.6621 -3.6590 -3.5721 -3.5695 -3.2931 -3.2912 -3.1636 -3.1600 -2.9964 -2.9868 -2.2977 -2.2907 -2.1901 -2.1842 -2.1023 -2.0975 -1.3938 -1.3905 -1.2313 -1.2257 -1.0816 -1.0708 -1.0254 -1.0217 -0.8507 -0.8488 -0.5601 -0.5583 -0.5000 -0.4929 -0.1718 -0.1702 -0.1088 -0.1081 4.1078 4.1078 4.1490 4.1491 4.6449 4.6449 4.6569 4.6581 5.6005 5.6010 7.0315 7.0315 k = 0.5549 0.1069 0.1688 ( 10012 PWs) bands (ev): -23.7934 -23.7934 -14.9305 -14.9305 -14.7984 -14.7984 -14.7686 -14.7686 -13.9832 -13.9832 -13.8579 -13.8579 -13.8444 -13.8444 -9.5949 -9.5949 -7.1853 -7.1852 -6.3325 -6.3324 -6.2164 -6.2163 -5.6155 -5.6112 -5.5733 -5.5731 -5.5247 -5.5209 -4.3166 -4.3163 -3.6673 -3.6647 -3.5729 -3.5708 -3.2974 -3.2959 -3.1633 -3.1603 -2.9859 -2.9776 -2.3035 -2.2979 -2.1912 -2.1862 -2.0977 -2.0937 -1.4012 -1.3984 -1.2345 -1.2299 -1.0726 -1.0630 -1.0220 -1.0188 -0.8491 -0.8473 -0.5610 -0.5594 -0.4992 -0.4931 -0.1743 -0.1728 -0.1058 -0.1052 4.1107 4.1108 4.1567 4.1567 4.6448 4.6449 4.6563 4.6573 5.5927 5.5932 7.0368 7.0369 k = 0.5439 0.1169 0.1846 ( 10011 PWs) bands (ev): -23.7934 -23.7934 -14.9321 -14.9321 -14.7978 -14.7978 -14.7675 -14.7675 -13.9811 -13.9811 -13.8598 -13.8598 -13.8447 -13.8447 -9.5948 -9.5948 -7.1872 -7.1871 -6.3349 -6.3348 -6.2153 -6.2152 -5.6122 -5.6085 -5.5714 -5.5713 -5.5214 -5.5182 -4.3189 -4.3186 -3.6716 -3.6695 -3.5736 -3.5719 -3.3010 -3.2998 -3.1630 -3.1605 -2.9768 -2.9698 -2.3083 -2.3038 -2.1924 -2.1883 -2.0939 -2.0905 -1.4073 -1.4050 -1.2373 -1.2335 -1.0646 -1.0566 -1.0192 -1.0165 -0.8477 -0.8461 -0.5616 -0.5604 -0.4984 -0.4934 -0.1764 -0.1752 -0.1032 -0.1027 4.1133 4.1134 4.1635 4.1635 4.6444 4.6444 4.6560 4.6568 5.5860 5.5864 7.0418 7.0418 k = 0.5329 0.1269 0.2004 ( 10013 PWs) bands (ev): -23.7934 -23.7934 -14.9333 -14.9333 -14.7974 -14.7974 -14.7666 -14.7666 -13.9793 -13.9793 -13.8614 -13.8614 -13.8449 -13.8449 -9.5947 -9.5947 -7.1887 -7.1886 -6.3367 -6.3367 -6.2144 -6.2144 -5.6093 -5.6065 -5.5699 -5.5698 -5.5188 -5.5163 -4.3207 -4.3205 -3.6749 -3.6733 -3.5741 -3.5728 -3.3037 -3.3028 -3.1627 -3.1607 -2.9691 -2.9638 -2.3120 -2.3087 -2.1934 -2.1903 -2.0907 -2.0882 -1.4120 -1.4103 -1.2393 -1.2364 -1.0579 -1.0517 -1.0169 -1.0148 -0.8467 -0.8453 -0.5621 -0.5612 -0.4978 -0.4939 -0.1781 -0.1771 -0.1011 -0.1008 4.1154 4.1155 4.1691 4.1692 4.6437 4.6438 4.6559 4.6565 5.5805 5.5808 7.0460 7.0461 k = 0.5219 0.1369 0.2162 ( 10013 PWs) bands (ev): -23.7934 -23.7934 -14.9343 -14.9343 -14.7970 -14.7970 -14.7660 -14.7660 -13.9780 -13.9780 -13.8626 -13.8626 -13.8451 -13.8451 -9.5947 -9.5947 -7.1897 -7.1897 -6.3381 -6.3380 -6.2138 -6.2137 -5.6071 -5.6051 -5.5688 -5.5688 -5.5168 -5.5151 -4.3220 -4.3219 -3.6772 -3.6762 -3.5744 -3.5735 -3.3057 -3.3051 -3.1623 -3.1610 -2.9632 -2.9596 -2.3145 -2.3123 -2.1941 -2.1921 -2.0882 -2.0865 -1.4154 -1.4142 -1.2407 -1.2387 -1.0527 -1.0484 -1.0152 -1.0137 -0.8458 -0.8448 -0.5623 -0.5617 -0.4971 -0.4945 -0.1793 -0.1786 -0.0996 -0.0993 4.1170 4.1170 4.1734 4.1734 4.6431 4.6432 4.6559 4.6563 5.5765 5.5767 7.0493 7.0494 k = 0.5110 0.1469 0.2320 ( 10020 PWs) bands (ev): -23.7934 -23.7934 -14.9348 -14.9348 -14.7968 -14.7968 -14.7656 -14.7656 -13.9772 -13.9772 -13.8633 -13.8633 -13.8451 -13.8451 -9.5946 -9.5946 -7.1904 -7.1904 -6.3389 -6.3388 -6.2134 -6.2133 -5.6055 -5.6045 -5.5682 -5.5682 -5.5154 -5.5145 -4.3228 -4.3228 -3.6785 -3.6780 -3.5745 -3.5740 -3.3068 -3.3065 -3.1619 -3.1613 -2.9592 -2.9574 -2.3158 -2.3147 -2.1944 -2.1934 -2.0866 -2.0857 -1.4173 -1.4167 -1.2413 -1.2403 -1.0491 -1.0468 -1.0140 -1.0132 -0.8452 -0.8447 -0.5624 -0.5621 -0.4964 -0.4951 -0.1800 -0.1796 -0.0986 -0.0985 4.1180 4.1180 4.1760 4.1760 4.6426 4.6427 4.6560 4.6562 5.5741 5.5742 7.0514 7.0514 k = 0.5000 0.1570 0.2478 ( 10020 PWs) bands (ev): -23.7934 -23.7934 -14.9350 -14.9350 -14.7968 -14.7968 -14.7655 -14.7655 -13.9769 -13.9769 -13.8636 -13.8636 -13.8452 -13.8452 -9.5946 -9.5946 -7.1906 -7.1906 -6.3391 -6.3391 -6.2132 -6.2132 -5.6046 -5.6046 -5.5680 -5.5680 -5.5147 -5.5147 -4.3231 -4.3231 -3.6788 -3.6788 -3.5743 -3.5743 -3.3071 -3.3071 -3.1616 -3.1616 -2.9572 -2.9572 -2.3158 -2.3158 -2.1942 -2.1942 -2.0857 -2.0857 -1.4177 -1.4177 -1.2412 -1.2412 -1.0471 -1.0471 -1.0133 -1.0133 -0.8448 -0.8448 -0.5624 -0.5624 -0.4958 -0.4958 -0.1801 -0.1801 -0.0982 -0.0982 4.1183 4.1183 4.1769 4.1769 4.6425 4.6425 4.6561 4.6561 5.5733 5.5733 7.0522 7.0522 k = 0.5000 0.1570 0.2478 ( 10020 PWs) bands (ev): -23.7934 -23.7934 -14.9350 -14.9350 -14.7968 -14.7968 -14.7655 -14.7655 -13.9769 -13.9769 -13.8636 -13.8636 -13.8452 -13.8452 -9.5946 -9.5946 -7.1906 -7.1906 -6.3391 -6.3391 -6.2132 -6.2132 -5.6046 -5.6046 -5.5680 -5.5680 -5.5147 -5.5147 -4.3231 -4.3231 -3.6788 -3.6788 -3.5743 -3.5743 -3.3071 -3.3071 -3.1616 -3.1616 -2.9572 -2.9572 -2.3158 -2.3158 -2.1942 -2.1942 -2.0857 -2.0857 -1.4177 -1.4177 -1.2412 -1.2412 -1.0471 -1.0471 -1.0133 -1.0133 -0.8448 -0.8448 -0.5624 -0.5624 -0.4958 -0.4958 -0.1801 -0.1801 -0.0982 -0.0982 4.1183 4.1183 4.1769 4.1769 4.6425 4.6425 4.6561 4.6561 5.5733 5.5733 7.0522 7.0522 k = 0.5000 0.1389 0.2593 ( 10012 PWs) bands (ev): -23.7934 -23.7934 -14.9349 -14.9349 -14.7968 -14.7968 -14.7655 -14.7655 -13.9768 -13.9768 -13.8636 -13.8636 -13.8452 -13.8452 -9.5946 -9.5946 -7.1909 -7.1908 -6.3387 -6.3384 -6.2131 -6.2130 -5.6065 -5.6050 -5.5676 -5.5663 -5.5147 -5.5145 -4.3234 -4.3231 -3.6809 -3.6783 -3.5749 -3.5743 -3.3072 -3.3052 -3.1610 -3.1600 -2.9578 -2.9567 -2.3190 -2.3142 -2.1952 -2.1905 -2.0877 -2.0857 -1.4183 -1.4171 -1.2424 -1.2415 -1.0480 -1.0470 -1.0150 -1.0124 -0.8472 -0.8429 -0.5629 -0.5610 -0.4962 -0.4953 -0.1808 -0.1785 -0.0995 -0.0970 4.1187 4.1188 4.1773 4.1775 4.6417 4.6430 4.6555 4.6568 5.5719 5.5720 7.0511 7.0513 k = 0.5000 0.1208 0.2707 ( 10022 PWs) bands (ev): -23.7934 -23.7934 -14.9345 -14.9345 -14.7969 -14.7969 -14.7658 -14.7658 -13.9766 -13.9766 -13.8638 -13.8638 -13.8454 -13.8454 -9.5947 -9.5947 -7.1917 -7.1915 -6.3371 -6.3366 -6.2127 -6.2125 -5.6102 -5.6076 -5.5652 -5.5630 -5.5146 -5.5143 -4.3241 -4.3236 -3.6845 -3.6796 -3.5761 -3.5748 -3.3056 -3.3016 -3.1583 -3.1564 -2.9584 -2.9562 -2.3235 -2.3145 -2.1934 -2.1843 -2.0916 -2.0874 -1.4189 -1.4166 -1.2449 -1.2433 -1.0500 -1.0479 -1.0178 -1.0122 -0.8499 -0.8415 -0.5625 -0.5589 -0.4967 -0.4947 -0.1807 -0.1760 -0.1007 -0.0956 4.1201 4.1203 4.1788 4.1792 4.6407 4.6433 4.6549 4.6575 5.5679 5.5682 7.0480 7.0484 k = 0.5000 0.1027 0.2822 ( 10016 PWs) bands (ev): -23.7934 -23.7934 -14.9339 -14.9339 -14.7970 -14.7970 -14.7663 -14.7663 -13.9762 -13.9762 -13.8640 -13.8640 -13.8457 -13.8457 -9.5949 -9.5949 -7.1929 -7.1927 -6.3344 -6.3337 -6.2120 -6.2116 -5.6151 -5.6117 -5.5615 -5.5589 -5.5144 -5.5139 -4.3252 -4.3244 -3.6893 -3.6824 -3.5779 -3.5763 -3.3020 -3.2961 -3.1537 -3.1509 -2.9589 -2.9556 -2.3289 -2.3164 -2.1890 -2.1762 -2.0974 -2.0906 -1.4195 -1.4161 -1.2488 -1.2464 -1.0533 -1.0495 -1.0216 -1.0125 -0.8526 -0.8406 -0.5614 -0.5562 -0.4970 -0.4941 -0.1798 -0.1726 -0.1018 -0.0942 4.1224 4.1227 4.1814 4.1818 4.6397 4.6433 4.6546 4.6582 5.5613 5.5617 7.0428 7.0435 k = 0.5000 0.0847 0.2936 ( 10020 PWs) bands (ev): -23.7934 -23.7934 -14.9331 -14.9331 -14.7971 -14.7971 -14.7669 -14.7669 -13.9756 -13.9756 -13.8643 -13.8643 -13.8462 -13.8462 -9.5951 -9.5951 -7.1946 -7.1943 -6.3306 -6.3298 -6.2110 -6.2104 -5.6206 -5.6168 -5.5572 -5.5544 -5.5142 -5.5134 -4.3266 -4.3256 -3.6950 -3.6865 -3.5807 -3.5789 -3.2962 -3.2886 -3.1473 -3.1437 -2.9594 -2.9551 -2.3350 -2.3200 -2.1827 -2.1665 -2.1052 -2.0950 -1.4202 -1.4157 -1.2540 -1.2509 -1.0583 -1.0521 -1.0262 -1.0131 -0.8551 -0.8399 -0.5597 -0.5531 -0.4974 -0.4934 -0.1779 -0.1685 -0.1029 -0.0928 4.1256 4.1260 4.1849 4.1855 4.6385 4.6429 4.6546 4.6588 5.5523 5.5528 7.0356 7.0364 k = 0.5000 0.0666 0.3051 ( 10014 PWs) bands (ev): -23.7933 -23.7933 -14.9320 -14.9320 -14.7973 -14.7973 -14.7678 -14.7677 -13.9749 -13.9749 -13.8647 -13.8647 -13.8468 -13.8467 -9.5954 -9.5954 -7.1968 -7.1963 -6.3259 -6.3248 -6.2096 -6.2090 -5.6264 -5.6223 -5.5526 -5.5498 -5.5138 -5.5128 -4.3282 -4.3270 -3.7014 -3.6916 -3.5848 -3.5829 -3.2882 -3.2790 -3.1395 -3.1351 -2.9598 -2.9544 -2.3415 -2.3248 -2.1755 -2.1556 -2.1147 -2.0996 -1.4209 -1.4153 -1.2603 -1.2564 -1.0653 -1.0562 -1.0309 -1.0140 -0.8571 -0.8394 -0.5576 -0.5499 -0.4976 -0.4926 -0.1753 -0.1637 -0.1037 -0.0913 4.1297 4.1301 4.1894 4.1901 4.6373 4.6421 4.6549 4.6596 5.5409 5.5416 7.0262 7.0271 k = 0.5000 0.0485 0.3165 ( 10014 PWs) bands (ev): -23.7933 -23.7933 -14.9308 -14.9308 -14.7976 -14.7976 -14.7687 -14.7687 -13.9740 -13.9740 -13.8652 -13.8652 -13.8474 -13.8474 -9.5958 -9.5958 -7.1992 -7.1988 -6.3202 -6.3189 -6.2080 -6.2072 -5.6324 -5.6281 -5.5481 -5.5452 -5.5134 -5.5121 -4.3301 -4.3286 -3.7081 -3.6974 -3.5902 -3.5883 -3.2779 -3.2673 -3.1304 -3.1253 -2.9600 -2.9537 -2.3484 -2.3306 -2.1696 -2.1441 -2.1256 -2.1028 -1.4216 -1.4149 -1.2674 -1.2629 -1.0745 -1.0631 -1.0344 -1.0149 -0.8583 -0.8389 -0.5553 -0.5468 -0.4979 -0.4917 -0.1720 -0.1582 -0.1044 -0.0897 4.1346 4.1351 4.1946 4.1955 4.6361 4.6411 4.6555 4.6603 5.5273 5.5281 7.0147 7.0156 k = 0.5000 0.0305 0.3280 ( 10004 PWs) bands (ev): -23.7933 -23.7933 -14.9293 -14.9293 -14.7978 -14.7978 -14.7699 -14.7699 -13.9730 -13.9729 -13.8658 -13.8658 -13.8483 -13.8482 -9.5962 -9.5962 -7.2021 -7.2015 -6.3136 -6.3121 -6.2061 -6.2052 -5.6384 -5.6340 -5.5436 -5.5408 -5.5128 -5.5114 -4.3321 -4.3304 -3.7150 -3.7037 -3.5971 -3.5952 -3.2653 -3.2535 -3.1203 -3.1147 -2.9600 -2.9528 -2.3556 -2.3372 -2.1680 -2.1422 -2.1278 -2.1017 -1.4224 -1.4145 -1.2754 -1.2702 -1.0859 -1.0730 -1.0362 -1.0156 -0.8589 -0.8384 -0.5532 -0.5440 -0.4980 -0.4908 -0.1680 -0.1521 -0.1049 -0.0879 4.1403 4.1409 4.2007 4.2017 4.6350 4.6401 4.6563 4.6611 5.5117 5.5126 7.0009 7.0019 k = 0.5000 0.0124 0.3394 ( 10000 PWs) bands (ev): -23.7933 -23.7933 -14.9276 -14.9276 -14.7982 -14.7981 -14.7712 -14.7712 -13.9718 -13.9718 -13.8664 -13.8664 -13.8492 -13.8492 -9.5966 -9.5966 -7.2052 -7.2046 -6.3062 -6.3046 -6.2039 -6.2029 -5.6444 -5.6399 -5.5394 -5.5367 -5.5122 -5.5105 -4.3342 -4.3322 -3.7218 -3.7103 -3.6054 -3.6033 -3.2505 -3.2379 -3.1095 -3.1034 -2.9597 -2.9516 -2.3630 -2.3444 -2.1729 -2.1561 -2.1148 -2.0948 -1.4232 -1.4142 -1.2839 -1.2781 -1.0993 -1.0857 -1.0366 -1.0161 -0.8587 -0.8379 -0.5512 -0.5416 -0.4980 -0.4898 -0.1634 -0.1456 -0.1050 -0.0860 4.1468 4.1474 4.2073 4.2085 4.6341 4.6391 4.6573 4.6620 5.4942 5.4952 6.9851 6.9861 k = 0.5000-0.0057 0.3508 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.9257 -14.9257 -14.7985 -14.7985 -14.7726 -14.7726 -13.9705 -13.9704 -13.8671 -13.8671 -13.8503 -13.8502 -9.5971 -9.5971 -7.2085 -7.2079 -6.2981 -6.2964 -6.2015 -6.2004 -5.6503 -5.6457 -5.5355 -5.5329 -5.5116 -5.5096 -4.3363 -4.3341 -3.7286 -3.7169 -3.6148 -3.6126 -3.2338 -3.2205 -3.0981 -3.0917 -2.9591 -2.9501 -2.3707 -2.3522 -2.1835 -2.1725 -2.0996 -2.0833 -1.4241 -1.4140 -1.2927 -1.2862 -1.1145 -1.1004 -1.0360 -1.0163 -0.8581 -0.8374 -0.5495 -0.5396 -0.4980 -0.4889 -0.1583 -0.1388 -0.1049 -0.0839 4.1539 4.1547 4.2145 4.2158 4.6335 4.6383 4.6585 4.6630 5.4751 5.4761 6.9674 6.9683 k = 0.5000-0.0238 0.3623 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.9237 -14.9237 -14.7989 -14.7989 -14.7742 -14.7742 -13.9690 -13.9690 -13.8678 -13.8678 -13.8514 -13.8514 -9.5976 -9.5976 -7.2121 -7.2114 -6.2895 -6.2876 -6.1989 -6.1977 -5.6561 -5.6515 -5.5319 -5.5294 -5.5109 -5.5087 -4.3383 -4.3359 -3.7352 -3.7236 -3.6252 -3.6229 -3.2155 -3.2017 -3.0863 -3.0796 -2.9580 -2.9483 -2.3787 -2.3605 -2.1980 -2.1906 -2.0832 -2.0691 -1.4250 -1.4139 -1.3018 -1.2946 -1.1312 -1.1167 -1.0347 -1.0161 -0.8572 -0.8371 -0.5481 -0.5381 -0.4978 -0.4880 -0.1528 -0.1318 -0.1043 -0.0817 4.1617 4.1625 4.2220 4.2234 4.6333 4.6378 4.6599 4.6642 5.4545 5.4556 6.9479 6.9487 k = 0.5000-0.0418 0.3737 ( 9998 PWs) bands (ev): -23.7933 -23.7933 -14.9215 -14.9215 -14.7993 -14.7993 -14.7759 -14.7759 -13.9674 -13.9674 -13.8686 -13.8686 -13.8527 -13.8527 -9.5982 -9.5982 -7.2158 -7.2151 -6.2803 -6.2783 -6.1961 -6.1948 -5.6617 -5.6571 -5.5287 -5.5262 -5.5101 -5.5077 -4.3401 -4.3375 -3.7415 -3.7301 -3.6364 -3.6341 -3.1956 -3.1816 -3.0743 -3.0674 -2.9565 -2.9461 -2.3870 -2.3693 -2.2151 -2.2099 -2.0659 -2.0534 -1.4260 -1.4139 -1.3108 -1.3030 -1.1490 -1.1342 -1.0329 -1.0157 -0.8562 -0.8370 -0.5470 -0.5371 -0.4976 -0.4872 -0.1470 -0.1248 -0.1032 -0.0793 4.1701 4.1709 4.2298 4.2312 4.6335 4.6378 4.6615 4.6654 5.4327 5.4338 6.9268 6.9275 k = 0.5000-0.0599 0.3852 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.9191 -14.9191 -14.7998 -14.7997 -14.7777 -14.7777 -13.9658 -13.9657 -13.8694 -13.8694 -13.8541 -13.8541 -9.5988 -9.5987 -7.2195 -7.2189 -6.2708 -6.2687 -6.1931 -6.1918 -5.6670 -5.6624 -5.5258 -5.5234 -5.5094 -5.5068 -4.3418 -4.3390 -3.7476 -3.7364 -3.6482 -3.6458 -3.1746 -3.1604 -3.0622 -3.0552 -2.9544 -2.9434 -2.3957 -2.3785 -2.2343 -2.2303 -2.0480 -2.0369 -1.4270 -1.4141 -1.3195 -1.3112 -1.1676 -1.1523 -1.0307 -1.0149 -0.8553 -0.8373 -0.5460 -0.5363 -0.4973 -0.4866 -0.1411 -0.1181 -0.1014 -0.0768 4.1789 4.1797 4.2376 4.2390 4.6344 4.6383 4.6632 4.6669 5.4099 5.4111 6.9045 6.9051 k = 0.5000-0.0780 0.3966 ( 9984 PWs) bands (ev): -23.7933 -23.7933 -14.9166 -14.9166 -14.8002 -14.8002 -14.7797 -14.7796 -13.9640 -13.9639 -13.8702 -13.8702 -13.8557 -13.8556 -9.5994 -9.5993 -7.2234 -7.2227 -6.2611 -6.2589 -6.1900 -6.1886 -5.6721 -5.6676 -5.5233 -5.5210 -5.5087 -5.5059 -4.3431 -4.3402 -3.7533 -3.7426 -3.6605 -3.6580 -3.1527 -3.1385 -3.0500 -3.0432 -2.9518 -2.9402 -2.4049 -2.3882 -2.2550 -2.2516 -2.0297 -2.0199 -1.4282 -1.4147 -1.3279 -1.3191 -1.1867 -1.1710 -1.0282 -1.0139 -0.8546 -0.8380 -0.5450 -0.5356 -0.4971 -0.4863 -0.1350 -0.1122 -0.0986 -0.0741 4.1881 4.1889 4.2453 4.2468 4.6359 4.6395 4.6651 4.6685 5.3863 5.3875 6.8811 6.8816 k = 0.5000-0.0960 0.4081 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.9141 -14.9140 -14.8007 -14.8007 -14.7817 -14.7816 -13.9621 -13.9621 -13.8711 -13.8710 -13.8573 -13.8572 -9.6000 -9.5999 -7.2272 -7.2265 -6.2512 -6.2489 -6.1867 -6.1853 -5.6770 -5.6725 -5.5211 -5.5188 -5.5081 -5.5052 -4.3442 -4.3411 -3.7587 -3.7484 -3.6729 -3.6704 -3.1301 -3.1160 -3.0379 -3.0313 -2.9485 -2.9365 -2.4144 -2.3985 -2.2770 -2.2735 -2.0113 -2.0027 -1.4295 -1.4155 -1.3357 -1.3266 -1.2059 -1.1898 -1.0255 -1.0128 -0.8544 -0.8392 -0.5439 -0.5349 -0.4970 -0.4862 -0.1291 -0.1076 -0.0946 -0.0714 4.1975 4.1984 4.2527 4.2542 4.6381 4.6413 4.6673 4.6703 5.3621 5.3634 6.8570 6.8574 k = 0.5000-0.1141 0.4195 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.9114 -14.9114 -14.8012 -14.8012 -14.7837 -14.7837 -13.9602 -13.9601 -13.8719 -13.8719 -13.8590 -13.8589 -9.6006 -9.6005 -7.2309 -7.2302 -6.2413 -6.2390 -6.1834 -6.1820 -5.6815 -5.6772 -5.5192 -5.5170 -5.5075 -5.5046 -4.3449 -4.3417 -3.7637 -3.7540 -3.6854 -3.6829 -3.1069 -3.0931 -3.0258 -3.0198 -2.9446 -2.9322 -2.4245 -2.4092 -2.2998 -2.2960 -1.9931 -1.9855 -1.4309 -1.4168 -1.3428 -1.3336 -1.2251 -1.2085 -1.0228 -1.0115 -0.8546 -0.8410 -0.5427 -0.5342 -0.4969 -0.4864 -0.1232 -0.1040 -0.0894 -0.0687 4.2072 4.2081 4.2598 4.2613 4.6410 4.6439 4.6697 4.6723 5.3376 5.3389 6.8326 6.8329 k = 0.5000-0.1322 0.4309 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.9087 -14.9086 -14.8017 -14.8017 -14.7858 -14.7858 -13.9582 -13.9581 -13.8727 -13.8727 -13.8607 -13.8607 -9.6012 -9.6011 -7.2345 -7.2339 -6.2315 -6.2292 -6.1800 -6.1786 -5.6858 -5.6816 -5.5175 -5.5153 -5.5070 -5.5041 -4.3452 -4.3419 -3.7684 -3.7593 -3.6979 -3.6953 -3.0836 -3.0701 -3.0140 -3.0087 -2.9399 -2.9272 -2.4350 -2.4204 -2.3231 -2.3190 -1.9751 -1.9686 -1.4324 -1.4184 -1.3490 -1.3401 -1.2439 -1.2269 -1.0199 -1.0102 -0.8554 -0.8432 -0.5412 -0.5333 -0.4969 -0.4869 -0.1175 -0.1012 -0.0837 -0.0659 4.2170 4.2178 4.2664 4.2679 4.6447 4.6473 4.6723 4.6745 5.3131 5.3143 6.8081 6.8083 k = 0.5000-0.1503 0.4424 ( 9990 PWs) bands (ev): -23.7933 -23.7933 -14.9059 -14.9059 -14.8022 -14.8022 -14.7880 -14.7879 -13.9561 -13.9561 -13.8735 -13.8735 -13.8625 -13.8625 -9.6018 -9.6017 -7.2380 -7.2374 -6.2219 -6.2196 -6.1766 -6.1752 -5.6897 -5.6857 -5.5160 -5.5140 -5.5067 -5.5039 -4.3452 -4.3419 -3.7728 -3.7643 -3.7101 -3.7076 -3.0602 -3.0473 -3.0022 -2.9981 -2.9345 -2.9217 -2.4460 -2.4322 -2.3465 -2.3421 -1.9576 -1.9521 -1.4341 -1.4205 -1.3544 -1.3459 -1.2623 -1.2448 -1.0171 -1.0088 -0.8566 -0.8459 -0.5393 -0.5322 -0.4970 -0.4876 -0.1121 -0.0987 -0.0779 -0.0632 4.2267 4.2276 4.2725 4.2739 4.6491 4.6512 4.6752 4.6770 5.2887 5.2899 6.7838 6.7840 k = 0.5000-0.1683 0.4538 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.9031 -14.9031 -14.8027 -14.8027 -14.7901 -14.7901 -13.9540 -13.9540 -13.8743 -13.8743 -13.8644 -13.8644 -9.6023 -9.6023 -7.2414 -7.2408 -6.2127 -6.2104 -6.1732 -6.1719 -5.6934 -5.6895 -5.5147 -5.5128 -5.5065 -5.5038 -4.3448 -4.3416 -3.7768 -3.7690 -3.7220 -3.7195 -3.0371 -3.0250 -2.9904 -2.9881 -2.9283 -2.9155 -2.4575 -2.4444 -2.3697 -2.3652 -1.9407 -1.9362 -1.4358 -1.4228 -1.3591 -1.3511 -1.2799 -1.2620 -1.0144 -1.0074 -0.8583 -0.8491 -0.5372 -0.5309 -0.4970 -0.4885 -0.1071 -0.0964 -0.0724 -0.0606 4.2363 4.2371 4.2779 4.2792 4.6540 4.6558 4.6783 4.6799 5.2646 5.2659 6.7602 6.7603 k = 0.5000-0.1864 0.4653 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.9004 -14.9003 -14.8032 -14.8031 -14.7923 -14.7922 -13.9519 -13.9519 -13.8750 -13.8750 -13.8663 -13.8663 -9.6029 -9.6028 -7.2445 -7.2440 -6.2039 -6.2017 -6.1698 -6.1686 -5.6966 -5.6930 -5.5136 -5.5118 -5.5064 -5.5039 -4.3441 -4.3410 -3.7804 -3.7734 -3.7334 -3.7309 -3.0149 -3.0039 -2.9788 -2.9779 -2.9213 -2.9087 -2.4695 -2.4572 -2.3925 -2.3880 -1.9247 -1.9211 -1.4376 -1.4254 -1.3630 -1.3557 -1.2966 -1.2783 -1.0117 -1.0061 -0.8604 -0.8525 -0.5349 -0.5294 -0.4970 -0.4894 -0.1024 -0.0942 -0.0673 -0.0580 4.2456 4.2464 4.2827 4.2840 4.6594 4.6607 4.6818 4.6830 5.2413 5.2424 6.7374 6.7375 k = 0.5000-0.2045 0.4767 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8977 -14.8977 -14.8036 -14.8036 -14.7944 -14.7943 -13.9499 -13.9498 -13.8757 -13.8757 -13.8682 -13.8681 -9.6034 -9.6033 -7.2474 -7.2469 -6.1956 -6.1936 -6.1665 -6.1653 -5.6996 -5.6962 -5.5126 -5.5109 -5.5064 -5.5041 -4.3432 -4.3401 -3.7837 -3.7774 -3.7442 -3.7418 -2.9947 -2.9850 -2.9693 -2.9641 -2.9136 -2.9013 -2.4819 -2.4704 -2.4145 -2.4102 -1.9098 -1.9068 -1.4394 -1.4279 -1.3664 -1.3598 -1.3121 -1.2935 -1.0093 -1.0048 -0.8628 -0.8561 -0.5324 -0.5279 -0.4969 -0.4904 -0.0982 -0.0920 -0.0627 -0.0556 4.2545 4.2552 4.2870 4.2881 4.6650 4.6659 4.6856 4.6864 5.2188 5.2199 6.7158 6.7159 k = 0.5000-0.2225 0.4882 ( 9996 PWs) bands (ev): -23.7933 -23.7933 -14.8951 -14.8951 -14.8040 -14.8040 -14.7964 -14.7964 -13.9479 -13.9478 -13.8764 -13.8763 -13.8700 -13.8700 -9.6039 -9.6038 -7.2501 -7.2496 -6.1881 -6.1862 -6.1633 -6.1622 -5.7022 -5.6991 -5.5118 -5.5102 -5.5066 -5.5045 -4.3420 -4.3391 -3.7866 -3.7811 -3.7543 -3.7519 -2.9788 -2.9697 -2.9578 -2.9477 -2.9052 -2.8935 -2.4946 -2.4840 -2.4354 -2.4315 -1.8960 -1.8937 -1.4411 -1.4303 -1.3694 -1.3633 -1.3264 -1.3075 -1.0070 -1.0037 -0.8654 -0.8598 -0.5299 -0.5265 -0.4966 -0.4914 -0.0944 -0.0900 -0.0585 -0.0534 4.2629 4.2635 4.2907 4.2916 4.6705 4.6712 4.6896 4.6901 5.1974 5.1985 6.6957 6.6958 k = 0.5000-0.2406 0.4996 ( 9984 PWs) bands (ev): -23.7933 -23.7933 -14.8926 -14.8926 -14.8044 -14.8044 -14.7983 -14.7983 -13.9460 -13.9459 -13.8769 -13.8769 -13.8718 -13.8718 -9.6043 -9.6043 -7.2525 -7.2521 -6.1814 -6.1796 -6.1601 -6.1592 -5.7044 -5.7016 -5.5111 -5.5096 -5.5068 -5.5050 -4.3407 -4.3380 -3.7891 -3.7845 -3.7635 -3.7611 -2.9676 -2.9602 -2.9411 -2.9300 -2.8963 -2.8855 -2.5075 -2.4978 -2.4548 -2.4515 -1.8834 -1.8817 -1.4427 -1.4324 -1.3722 -1.3663 -1.3391 -1.3202 -1.0050 -1.0026 -0.8680 -0.8634 -0.5275 -0.5251 -0.4961 -0.4921 -0.0911 -0.0881 -0.0549 -0.0513 4.2705 4.2710 4.2938 4.2947 4.6759 4.6763 4.6937 4.6940 5.1776 5.1786 6.6773 6.6774 k = 0.5000-0.2587 0.5110 ( 9994 PWs) bands (ev): -23.7933 -23.7933 -14.8904 -14.8904 -14.8048 -14.8048 -14.8001 -14.8001 -13.9442 -13.9441 -13.8775 -13.8775 -13.8735 -13.8734 -9.6047 -9.6046 -7.2546 -7.2542 -6.1755 -6.1740 -6.1571 -6.1564 -5.7063 -5.7039 -5.5105 -5.5092 -5.5070 -5.5055 -4.3392 -4.3369 -3.7913 -3.7876 -3.7717 -3.7694 -2.9592 -2.9537 -2.9229 -2.9129 -2.8869 -2.8774 -2.5203 -2.5117 -2.4724 -2.4698 -1.8724 -1.8711 -1.4440 -1.4343 -1.3749 -1.3691 -1.3500 -1.3314 -1.0032 -1.0016 -0.8706 -0.8668 -0.5255 -0.5240 -0.4954 -0.4926 -0.0883 -0.0864 -0.0519 -0.0495 4.2772 4.2777 4.2966 4.2973 4.6809 4.6811 4.6979 4.6980 5.1595 5.1604 6.6608 6.6610 k = 0.5000-0.2767 0.5225 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8883 -14.8883 -14.8051 -14.8051 -14.8018 -14.8017 -13.9425 -13.9425 -13.8779 -13.8779 -13.8750 -13.8750 -9.6050 -9.6050 -7.2564 -7.2561 -6.1707 -6.1694 -6.1542 -6.1537 -5.7079 -5.7058 -5.5100 -5.5088 -5.5072 -5.5061 -4.3378 -4.3358 -3.7932 -3.7904 -3.7788 -3.7765 -2.9527 -2.9486 -2.9055 -2.8973 -2.8772 -2.8695 -2.5326 -2.5251 -2.4879 -2.4862 -1.8628 -1.8619 -1.4449 -1.4360 -1.3776 -1.3723 -1.3584 -1.3411 -1.0018 -1.0007 -0.8729 -0.8699 -0.5238 -0.5230 -0.4947 -0.4929 -0.0860 -0.0848 -0.0494 -0.0478 4.2830 4.2833 4.2991 4.2996 4.6854 4.6855 4.7020 4.7020 5.1434 5.1442 6.6466 6.6467 k = 0.5000-0.2948 0.5339 ( 9992 PWs) bands (ev): -23.7933 -23.7933 -14.8866 -14.8866 -14.8054 -14.8054 -14.8032 -14.8031 -13.9411 -13.9411 -13.8783 -13.8783 -13.8764 -13.8763 -9.6053 -9.6053 -7.2579 -7.2576 -6.1668 -6.1658 -6.1515 -6.1512 -5.7091 -5.7074 -5.5096 -5.5086 -5.5073 -5.5066 -4.3365 -4.3348 -3.7948 -3.7930 -3.7845 -3.7823 -2.9475 -2.9445 -2.8899 -2.8842 -2.8677 -2.8622 -2.5438 -2.5377 -2.5012 -2.5002 -1.8549 -1.8542 -1.4455 -1.4375 -1.3801 -1.3762 -1.3637 -1.3492 -1.0006 -1.0000 -0.8750 -0.8726 -0.5227 -0.5221 -0.4938 -0.4929 -0.0841 -0.0835 -0.0474 -0.0464 4.2876 4.2877 4.3014 4.3017 4.6892 4.6893 4.7057 4.7057 5.1297 5.1304 6.6346 6.6348 k = 0.5000-0.3129 0.5454 ( 9988 PWs) bands (ev): -23.7933 -23.7933 -14.8852 -14.8852 -14.8056 -14.8056 -14.8043 -14.8043 -13.9399 -13.9399 -13.8786 -13.8786 -13.8775 -13.8774 -9.6055 -9.6055 -7.2591 -7.2589 -6.1639 -6.1632 -6.1492 -6.1491 -5.7100 -5.7087 -5.5094 -5.5084 -5.5074 -5.5070 -4.3353 -4.3340 -3.7962 -3.7953 -3.7888 -3.7867 -2.9435 -2.9415 -2.8770 -2.8738 -2.8588 -2.8558 -2.5534 -2.5486 -2.5120 -2.5116 -1.8486 -1.8482 -1.4455 -1.4389 -1.3824 -1.3803 -1.3664 -1.3556 -0.9997 -0.9994 -0.8766 -0.8749 -0.5220 -0.5214 -0.4931 -0.4927 -0.0827 -0.0825 -0.0459 -0.0453 4.2909 4.2909 4.3034 4.3035 4.6923 4.6924 4.7088 4.7089 5.1187 5.1192 6.6252 6.6253 k = 0.5000-0.3310 0.5568 ( 9984 PWs) bands (ev): -23.7933 -23.7933 -14.8841 -14.8841 -14.8057 -14.8057 -14.8052 -14.8052 -13.9390 -13.9390 -13.8788 -13.8788 -13.8783 -13.8783 -9.6057 -9.6056 -7.2599 -7.2598 -6.1618 -6.1614 -6.1475 -6.1474 -5.7106 -5.7097 -5.5091 -5.5084 -5.5074 -5.5073 -4.3344 -4.3335 -3.7976 -3.7973 -3.7915 -3.7898 -2.9406 -2.9393 -2.8674 -2.8662 -2.8518 -2.8506 -2.5606 -2.5573 -2.5201 -2.5200 -1.8441 -1.8439 -1.4451 -1.4403 -1.3844 -1.3837 -1.3674 -1.3605 -0.9990 -0.9989 -0.8778 -0.8766 -0.5215 -0.5210 -0.4925 -0.4924 -0.0817 -0.0817 -0.0449 -0.0445 4.2931 4.2931 4.3050 4.3051 4.6946 4.6947 4.7113 4.7113 5.1107 5.1110 6.6184 6.6185 k = 0.5000-0.3490 0.5683 ( 9980 PWs) bands (ev): -23.7933 -23.7933 -14.8835 -14.8834 -14.8058 -14.8058 -14.8057 -14.8057 -13.9385 -13.9385 -13.8789 -13.8789 -13.8788 -13.8788 -9.6057 -9.6057 -7.2604 -7.2603 -6.1606 -6.1604 -6.1464 -6.1464 -5.7109 -5.7104 -5.5090 -5.5086 -5.5074 -5.5074 -4.3337 -4.3332 -3.7987 -3.7986 -3.7926 -3.7917 -2.9388 -2.9382 -2.8616 -2.8614 -2.8474 -2.8471 -2.5649 -2.5632 -2.5252 -2.5252 -1.8414 -1.8413 -1.4443 -1.4418 -1.3858 -1.3857 -1.3673 -1.3640 -0.9987 -0.9986 -0.8784 -0.8778 -0.5211 -0.5208 -0.4921 -0.4921 -0.0812 -0.0812 -0.0442 -0.0440 4.2943 4.2943 4.3061 4.3061 4.6961 4.6961 4.7128 4.7128 5.1058 5.1059 6.6143 6.6143 k = 0.5000-0.3671 0.5797 ( 9982 PWs) bands (ev): -23.7933 -23.7933 -14.8832 -14.8832 -14.8059 -14.8059 -14.8059 -14.8059 -13.9383 -13.9383 -13.8790 -13.8790 -13.8790 -13.8790 -9.6058 -9.6058 -7.2605 -7.2605 -6.1602 -6.1602 -6.1460 -6.1460 -5.7108 -5.7108 -5.5088 -5.5088 -5.5075 -5.5075 -4.3333 -4.3333 -3.7991 -3.7991 -3.7926 -3.7926 -2.9380 -2.9380 -2.8597 -2.8597 -2.8458 -2.8458 -2.5658 -2.5658 -2.5269 -2.5269 -1.8404 -1.8404 -1.4431 -1.4431 -1.3864 -1.3864 -1.3662 -1.3662 -0.9986 -0.9986 -0.8784 -0.8784 -0.5209 -0.5209 -0.4920 -0.4920 -0.0810 -0.0810 -0.0440 -0.0440 4.2947 4.2947 4.3065 4.3065 4.6966 4.6966 4.7133 4.7133 5.1042 5.1042 6.6129 6.6129 Writing output data file B4CCl6O.save init_run : 1.74s CPU 1.14s WALL ( 1 calls) electrons : 628.77s CPU 544.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.22s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 628.76s CPU 544.36s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.38s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.49s CPU 0.45s WALL ( 239 calls) cegterg : 530.75s CPU 490.62s WALL ( 305 calls) Called by sum_band: Called by *egterg: h_psi : 359.68s CPU 285.34s WALL ( 5307 calls) s_psi : 20.15s CPU 17.44s WALL ( 5307 calls) g_psi : 0.27s CPU 0.30s WALL ( 4763 calls) cdiaghg : 193.45s CPU 189.94s WALL ( 5002 calls) cegterg:over : 19.49s CPU 19.57s WALL ( 4763 calls) cegterg:upda : 11.54s CPU 11.66s WALL ( 4763 calls) cegterg:last : 6.78s CPU 6.77s WALL ( 884 calls) cdiaghg:chol : 6.42s CPU 6.48s WALL ( 5002 calls) cdiaghg:inve : 5.08s CPU 4.96s WALL ( 5002 calls) cdiaghg:para : 11.68s CPU 11.79s WALL ( 10004 calls) Called by h_psi: h_psi:vloc : 324.14s CPU 254.81s WALL ( 5307 calls) h_psi:vnl : 35.18s CPU 30.22s WALL ( 5307 calls) add_vuspsi : 18.43s CPU 15.64s WALL ( 5307 calls) General routines calbec : 16.72s CPU 14.56s WALL ( 5307 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 314.81s CPU 246.55s WALL ( 859968 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.19s CPU 1.15s WALL ( 478 calls) Parallel routines fft_scatter : 215.90s CPU 187.85s WALL ( 859991 calls) PWSCF : 11m35.47s CPU 10m35.42s WALL This run was terminated on: 14:56:31 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=