Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 20 6 670 444 73 Max 26 21 7 674 468 77 Sum 921 723 217 24191 16289 2691 bravais-lattice index = 14 lattice parameter (alat) = 8.3350 a.u. unit-cell volume = 362.8232 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.335046 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.129532 celldm(5)= -0.129532 celldm(6)= -0.740936 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.740936 0.671575 0.000000 ) a(3) = ( -0.129532 -0.335788 0.932989 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.103281 0.535912 ) b(2) = ( 0.000000 1.489037 0.535912 ) b(3) = ( 0.000000 0.000000 1.071824 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) No symmetry found (note: 3 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0000000 0.0137413), wk = 0.0025641 k( 3) = ( 0.0000000 0.0000000 0.0274827), wk = 0.0025641 k( 4) = ( 0.0000000 0.0000000 0.0412240), wk = 0.0025641 k( 5) = ( 0.0000000 0.0000000 0.0549653), wk = 0.0025641 k( 6) = ( 0.0000000 0.0000000 0.0687067), wk = 0.0025641 k( 7) = ( 0.0000000 0.0000000 0.0824480), wk = 0.0025641 k( 8) = ( 0.0000000 0.0000000 0.0961893), wk = 0.0025641 k( 9) = ( 0.0000000 0.0000000 0.1099307), wk = 0.0025641 k( 10) = ( 0.0000000 0.0000000 0.1236720), wk = 0.0025641 k( 11) = ( 0.0000000 0.0000000 0.1374134), wk = 0.0025641 k( 12) = ( 0.0000000 0.0000000 0.1511547), wk = 0.0025641 k( 13) = ( 0.0000000 0.0000000 0.1648960), wk = 0.0025641 k( 14) = ( 0.0000000 0.0000000 0.1786374), wk = 0.0025641 k( 15) = ( 0.0000000 0.0000000 0.1923787), wk = 0.0025641 k( 16) = ( 0.0000000 0.0000000 0.2061200), wk = 0.0025641 k( 17) = ( 0.0000000 0.0000000 0.2198614), wk = 0.0025641 k( 18) = ( 0.0000000 0.0000000 0.2336027), wk = 0.0025641 k( 19) = ( 0.0000000 0.0000000 0.2473440), wk = 0.0025641 k( 20) = ( 0.0000000 0.0000000 0.2610854), wk = 0.0025641 k( 21) = ( 0.0000000 0.0000000 0.2748267), wk = 0.0025641 k( 22) = ( 0.0000000 0.0000000 0.2885680), wk = 0.0025641 k( 23) = ( 0.0000000 0.0000000 0.3023094), wk = 0.0025641 k( 24) = ( 0.0000000 0.0000000 0.3160507), wk = 0.0025641 k( 25) = ( 0.0000000 0.0000000 0.3297921), wk = 0.0025641 k( 26) = ( 0.0000000 0.0000000 0.3435334), wk = 0.0025641 k( 27) = ( 0.0000000 0.0000000 0.3572747), wk = 0.0025641 k( 28) = ( 0.0000000 0.0000000 0.3710161), wk = 0.0025641 k( 29) = ( 0.0000000 0.0000000 0.3847574), wk = 0.0025641 k( 30) = ( 0.0000000 0.0000000 0.3984987), wk = 0.0025641 k( 31) = ( 0.0000000 0.0000000 0.4122401), wk = 0.0025641 k( 32) = ( 0.0000000 0.0000000 0.4259814), wk = 0.0025641 k( 33) = ( 0.0000000 0.0000000 0.4397227), wk = 0.0025641 k( 34) = ( 0.0000000 0.0000000 0.4534641), wk = 0.0025641 k( 35) = ( 0.0000000 0.0000000 0.4672054), wk = 0.0025641 k( 36) = ( 0.0000000 0.0000000 0.4809467), wk = 0.0025641 k( 37) = ( 0.0000000 0.0000000 0.4946881), wk = 0.0025641 k( 38) = ( 0.0000000 0.0000000 0.5084294), wk = 0.0025641 k( 39) = ( 0.0000000 0.0000000 0.5221707), wk = 0.0025641 k( 40) = ( 0.0000000 0.0000000 0.5359121), wk = 0.0025641 k( 41) = ( 0.0000000 0.0000000 0.5359121), wk = 0.0025641 k( 42) = ( -0.0128205 0.0049456 0.5359121), wk = 0.0025641 k( 43) = ( -0.0256410 0.0098912 0.5359121), wk = 0.0025641 k( 44) = ( -0.0384615 0.0148367 0.5359121), wk = 0.0025641 k( 45) = ( -0.0512821 0.0197823 0.5359121), wk = 0.0025641 k( 46) = ( -0.0641026 0.0247279 0.5359121), wk = 0.0025641 k( 47) = ( -0.0769231 0.0296735 0.5359121), wk = 0.0025641 k( 48) = ( -0.0897436 0.0346191 0.5359121), wk = 0.0025641 k( 49) = ( -0.1025641 0.0395646 0.5359121), wk = 0.0025641 k( 50) = ( -0.1153846 0.0445102 0.5359121), wk = 0.0025641 k( 51) = ( -0.1282051 0.0494558 0.5359121), wk = 0.0025641 k( 52) = ( -0.1410256 0.0544014 0.5359121), wk = 0.0025641 k( 53) = ( -0.1538461 0.0593469 0.5359121), wk = 0.0025641 k( 54) = ( -0.1666667 0.0642925 0.5359121), wk = 0.0025641 k( 55) = ( -0.1794872 0.0692381 0.5359121), wk = 0.0025641 k( 56) = ( -0.1923077 0.0741837 0.5359121), wk = 0.0025641 k( 57) = ( -0.2051282 0.0791293 0.5359121), wk = 0.0025641 k( 58) = ( -0.2179487 0.0840748 0.5359121), wk = 0.0025641 k( 59) = ( -0.2307692 0.0890204 0.5359121), wk = 0.0025641 k( 60) = ( -0.2435897 0.0939660 0.5359121), wk = 0.0025641 k( 61) = ( -0.2564103 0.0989116 0.5359121), wk = 0.0025641 k( 62) = ( -0.2692308 0.1038572 0.5359121), wk = 0.0025641 k( 63) = ( -0.2820513 0.1088027 0.5359121), wk = 0.0025641 k( 64) = ( -0.2948718 0.1137483 0.5359121), wk = 0.0025641 k( 65) = ( -0.3076923 0.1186939 0.5359121), wk = 0.0025641 k( 66) = ( -0.3205128 0.1236395 0.5359121), wk = 0.0025641 k( 67) = ( -0.3333333 0.1285850 0.5359121), wk = 0.0025641 k( 68) = ( -0.3461538 0.1335306 0.5359121), wk = 0.0025641 k( 69) = ( -0.3589744 0.1384762 0.5359121), wk = 0.0025641 k( 70) = ( -0.3717949 0.1434218 0.5359121), wk = 0.0025641 k( 71) = ( -0.3846154 0.1483674 0.5359121), wk = 0.0025641 k( 72) = ( -0.3974359 0.1533129 0.5359121), wk = 0.0025641 k( 73) = ( -0.4102564 0.1582585 0.5359121), wk = 0.0025641 k( 74) = ( -0.4230769 0.1632041 0.5359121), wk = 0.0025641 k( 75) = ( -0.4358974 0.1681497 0.5359121), wk = 0.0025641 k( 76) = ( -0.4487179 0.1730953 0.5359121), wk = 0.0025641 k( 77) = ( -0.4615385 0.1780408 0.5359121), wk = 0.0025641 k( 78) = ( -0.4743590 0.1829864 0.5359121), wk = 0.0025641 k( 79) = ( -0.4871795 0.1879320 0.5359121), wk = 0.0025641 k( 80) = ( -0.5000000 0.1928776 0.5359121), wk = 0.0025641 k( 81) = ( -0.5000000 0.1928776 0.5359121), wk = 0.0025641 k( 82) = ( -0.4907407 0.1893058 0.5259878), wk = 0.0025641 k( 83) = ( -0.4814815 0.1857340 0.5160635), wk = 0.0025641 k( 84) = ( -0.4722222 0.1821621 0.5061392), wk = 0.0025641 k( 85) = ( -0.4629630 0.1785903 0.4962149), wk = 0.0025641 k( 86) = ( -0.4537037 0.1750185 0.4862906), wk = 0.0025641 k( 87) = ( -0.4444444 0.1714467 0.4763663), wk = 0.0025641 k( 88) = ( -0.4351852 0.1678749 0.4664420), wk = 0.0025641 k( 89) = ( -0.4259259 0.1643031 0.4565177), wk = 0.0025641 k( 90) = ( -0.4166667 0.1607313 0.4465934), wk = 0.0025641 k( 91) = ( -0.4074074 0.1571595 0.4366691), wk = 0.0025641 k( 92) = ( -0.3981481 0.1535877 0.4267448), wk = 0.0025641 k( 93) = ( -0.3888889 0.1500159 0.4168205), wk = 0.0025641 k( 94) = ( -0.3796296 0.1464441 0.4068962), wk = 0.0025641 k( 95) = ( -0.3703704 0.1428723 0.3969719), wk = 0.0025641 k( 96) = ( -0.3611111 0.1393005 0.3870476), wk = 0.0025641 k( 97) = ( -0.3518519 0.1357287 0.3771233), wk = 0.0025641 k( 98) = ( -0.3425926 0.1321569 0.3671990), wk = 0.0025641 k( 99) = ( -0.3333333 0.1285850 0.3572747), wk = 0.0025641 k( 100) = ( -0.3240741 0.1250132 0.3473504), wk = 0.0025641 k( 101) = ( -0.3148148 0.1214414 0.3374261), wk = 0.0025641 k( 102) = ( -0.3055556 0.1178696 0.3275018), wk = 0.0025641 k( 103) = ( -0.2962963 0.1142978 0.3175775), wk = 0.0025641 k( 104) = ( -0.2870370 0.1107260 0.3076532), wk = 0.0025641 k( 105) = ( -0.2777778 0.1071542 0.2977289), wk = 0.0025641 k( 106) = ( -0.2685185 0.1035824 0.2878046), wk = 0.0025641 k( 107) = ( -0.2592593 0.1000106 0.2778803), wk = 0.0025641 k( 108) = ( -0.2500000 0.0964388 0.2679560), wk = 0.0025641 k( 109) = ( -0.2407407 0.0928670 0.2580317), wk = 0.0025641 k( 110) = ( -0.2314815 0.0892952 0.2481074), wk = 0.0025641 k( 111) = ( -0.2222222 0.0857234 0.2381831), wk = 0.0025641 k( 112) = ( -0.2129630 0.0821516 0.2282588), wk = 0.0025641 k( 113) = ( -0.2037037 0.0785797 0.2183345), wk = 0.0025641 k( 114) = ( -0.1944444 0.0750079 0.2084102), wk = 0.0025641 k( 115) = ( -0.1851852 0.0714361 0.1984860), wk = 0.0025641 k( 116) = ( -0.1759259 0.0678643 0.1885617), wk = 0.0025641 k( 117) = ( -0.1666667 0.0642925 0.1786374), wk = 0.0025641 k( 118) = ( -0.1574074 0.0607207 0.1687131), wk = 0.0025641 k( 119) = ( -0.1481482 0.0571489 0.1587888), wk = 0.0025641 k( 120) = ( -0.1388889 0.0535771 0.1488645), wk = 0.0025641 k( 121) = ( -0.1296296 0.0500053 0.1389402), wk = 0.0025641 k( 122) = ( -0.1203704 0.0464335 0.1290159), wk = 0.0025641 k( 123) = ( -0.1111111 0.0428617 0.1190916), wk = 0.0025641 k( 124) = ( -0.1018518 0.0392899 0.1091673), wk = 0.0025641 k( 125) = ( -0.0925926 0.0357181 0.0992430), wk = 0.0025641 k( 126) = ( -0.0833333 0.0321463 0.0893187), wk = 0.0025641 k( 127) = ( -0.0740741 0.0285745 0.0793944), wk = 0.0025641 k( 128) = ( -0.0648148 0.0250026 0.0694701), wk = 0.0025641 k( 129) = ( -0.0555556 0.0214308 0.0595458), wk = 0.0025641 k( 130) = ( -0.0462963 0.0178590 0.0496215), wk = 0.0025641 k( 131) = ( -0.0370370 0.0142872 0.0396972), wk = 0.0025641 k( 132) = ( -0.0277778 0.0107154 0.0297729), wk = 0.0025641 k( 133) = ( -0.0185185 0.0071436 0.0198486), wk = 0.0025641 k( 134) = ( -0.0092593 0.0035718 0.0099243), wk = 0.0025641 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 137) = ( 0.0049908 0.0129378 -0.0000000), wk = 0.0025641 k( 138) = ( 0.0099816 0.0258756 -0.0000000), wk = 0.0025641 k( 139) = ( 0.0149725 0.0388134 -0.0000000), wk = 0.0025641 k( 140) = ( 0.0199633 0.0517512 -0.0000000), wk = 0.0025641 k( 141) = ( 0.0249541 0.0646890 -0.0000000), wk = 0.0025641 k( 142) = ( 0.0299449 0.0776268 -0.0000000), wk = 0.0025641 k( 143) = ( 0.0349358 0.0905646 -0.0000000), wk = 0.0025641 k( 144) = ( 0.0399266 0.1035024 -0.0000000), wk = 0.0025641 k( 145) = ( 0.0449174 0.1164402 -0.0000000), wk = 0.0025641 k( 146) = ( 0.0499082 0.1293780 -0.0000000), wk = 0.0025641 k( 147) = ( 0.0548991 0.1423158 -0.0000000), wk = 0.0025641 k( 148) = ( 0.0598899 0.1552536 -0.0000000), wk = 0.0025641 k( 149) = ( 0.0648807 0.1681914 -0.0000000), wk = 0.0025641 k( 150) = ( 0.0698715 0.1811292 -0.0000000), wk = 0.0025641 k( 151) = ( 0.0748623 0.1940670 -0.0000000), wk = 0.0025641 k( 152) = ( 0.0798532 0.2070048 -0.0000000), wk = 0.0025641 k( 153) = ( 0.0848440 0.2199426 -0.0000000), wk = 0.0025641 k( 154) = ( 0.0898348 0.2328804 -0.0000000), wk = 0.0025641 k( 155) = ( 0.0948256 0.2458182 -0.0000000), wk = 0.0025641 k( 156) = ( 0.0998165 0.2587560 -0.0000000), wk = 0.0025641 k( 157) = ( 0.1048073 0.2716938 -0.0000000), wk = 0.0025641 k( 158) = ( 0.1097981 0.2846316 -0.0000000), wk = 0.0025641 k( 159) = ( 0.1147889 0.2975694 -0.0000000), wk = 0.0025641 k( 160) = ( 0.1197798 0.3105072 -0.0000000), wk = 0.0025641 k( 161) = ( 0.1247706 0.3234450 -0.0000000), wk = 0.0025641 k( 162) = ( 0.1297614 0.3363828 -0.0000000), wk = 0.0025641 k( 163) = ( 0.1347522 0.3493206 -0.0000000), wk = 0.0025641 k( 164) = ( 0.1397431 0.3622584 -0.0000000), wk = 0.0025641 k( 165) = ( 0.1447339 0.3751962 -0.0000000), wk = 0.0025641 k( 166) = ( 0.1497247 0.3881340 -0.0000000), wk = 0.0025641 k( 167) = ( 0.1547155 0.4010718 -0.0000000), wk = 0.0025641 k( 168) = ( 0.1597063 0.4140097 -0.0000000), wk = 0.0025641 k( 169) = ( 0.1646972 0.4269474 -0.0000000), wk = 0.0025641 k( 170) = ( 0.1696880 0.4398852 -0.0000000), wk = 0.0025641 k( 171) = ( 0.1746788 0.4528230 -0.0000000), wk = 0.0025641 k( 172) = ( 0.1796696 0.4657608 -0.0000000), wk = 0.0025641 k( 173) = ( 0.1846605 0.4786986 -0.0000000), wk = 0.0025641 k( 174) = ( 0.1896513 0.4916364 -0.0000000), wk = 0.0025641 k( 175) = ( 0.1946421 0.5045743 -0.0000000), wk = 0.0025641 k( 176) = ( 0.1996329 0.5175120 -0.0000000), wk = 0.0025641 k( 177) = ( 0.2046237 0.5304498 -0.0000000), wk = 0.0025641 k( 178) = ( 0.2096146 0.5433877 -0.0000000), wk = 0.0025641 k( 179) = ( 0.2146054 0.5563254 -0.0000000), wk = 0.0025641 k( 180) = ( 0.2195962 0.5692632 -0.0000000), wk = 0.0025641 k( 181) = ( 0.2245871 0.5822011 -0.0000000), wk = 0.0025641 k( 182) = ( 0.2295779 0.5951389 -0.0000000), wk = 0.0025641 k( 183) = ( 0.2345687 0.6080766 -0.0000000), wk = 0.0025641 k( 184) = ( 0.2395595 0.6210145 -0.0000000), wk = 0.0025641 k( 185) = ( 0.2445503 0.6339523 -0.0000000), wk = 0.0025641 k( 186) = ( 0.2495412 0.6468900 -0.0000000), wk = 0.0025641 k( 187) = ( 0.2545320 0.6598279 -0.0000000), wk = 0.0025641 k( 188) = ( 0.2595228 0.6727657 -0.0000000), wk = 0.0025641 k( 189) = ( 0.2645136 0.6857035 -0.0000000), wk = 0.0025641 k( 190) = ( 0.2695045 0.6986413 -0.0000000), wk = 0.0025641 k( 191) = ( 0.2744953 0.7115791 -0.0000000), wk = 0.0025641 k( 192) = ( 0.2794861 0.7245169 -0.0000000), wk = 0.0025641 k( 193) = ( 0.2844769 0.7374547 -0.0000000), wk = 0.0025641 k( 194) = ( 0.2894678 0.7503925 -0.0000000), wk = 0.0025641 k( 195) = ( 0.2944586 0.7633303 -0.0000000), wk = 0.0025641 k( 196) = ( 0.2994494 0.7762681 -0.0000000), wk = 0.0025641 k( 197) = ( 0.3044402 0.7892059 -0.0000000), wk = 0.0025641 k( 198) = ( 0.3094310 0.8021437 -0.0000000), wk = 0.0025641 k( 199) = ( 0.3144219 0.8150815 -0.0000000), wk = 0.0025641 k( 200) = ( 0.3194127 0.8280193 -0.0000000), wk = 0.0025641 k( 201) = ( 0.3244035 0.8409571 -0.0000000), wk = 0.0025641 k( 202) = ( 0.3244035 0.8409571 -0.0000000), wk = 0.0025641 k( 203) = ( 0.3225888 0.8362527 0.0130710), wk = 0.0025641 k( 204) = ( 0.3207741 0.8315484 0.0261420), wk = 0.0025641 k( 205) = ( 0.3189593 0.8268441 0.0392131), wk = 0.0025641 k( 206) = ( 0.3171446 0.8221397 0.0522841), wk = 0.0025641 k( 207) = ( 0.3153299 0.8174354 0.0653551), wk = 0.0025641 k( 208) = ( 0.3135152 0.8127311 0.0784262), wk = 0.0025641 k( 209) = ( 0.3117005 0.8080267 0.0914972), wk = 0.0025641 k( 210) = ( 0.3098858 0.8033224 0.1045682), wk = 0.0025641 k( 211) = ( 0.3080710 0.7986181 0.1176392), wk = 0.0025641 k( 212) = ( 0.3062563 0.7939138 0.1307103), wk = 0.0025641 k( 213) = ( 0.3044416 0.7892094 0.1437813), wk = 0.0025641 k( 214) = ( 0.3026269 0.7845051 0.1568523), wk = 0.0025641 k( 215) = ( 0.3008122 0.7798008 0.1699233), wk = 0.0025641 k( 216) = ( 0.2989974 0.7750965 0.1829944), wk = 0.0025641 k( 217) = ( 0.2971827 0.7703921 0.1960654), wk = 0.0025641 k( 218) = ( 0.2953680 0.7656878 0.2091364), wk = 0.0025641 k( 219) = ( 0.2935533 0.7609835 0.2222075), wk = 0.0025641 k( 220) = ( 0.2917386 0.7562791 0.2352785), wk = 0.0025641 k( 221) = ( 0.2899238 0.7515748 0.2483495), wk = 0.0025641 k( 222) = ( 0.2881091 0.7468705 0.2614205), wk = 0.0025641 k( 223) = ( 0.2862944 0.7421661 0.2744916), wk = 0.0025641 k( 224) = ( 0.2844797 0.7374618 0.2875626), wk = 0.0025641 k( 225) = ( 0.2826650 0.7327575 0.3006336), wk = 0.0025641 k( 226) = ( 0.2808502 0.7280531 0.3137046), wk = 0.0025641 k( 227) = ( 0.2790355 0.7233488 0.3267757), wk = 0.0025641 k( 228) = ( 0.2772208 0.7186445 0.3398467), wk = 0.0025641 k( 229) = ( 0.2754061 0.7139401 0.3529177), wk = 0.0025641 k( 230) = ( 0.2735914 0.7092358 0.3659887), wk = 0.0025641 k( 231) = ( 0.2717766 0.7045315 0.3790598), wk = 0.0025641 k( 232) = ( 0.2699619 0.6998272 0.3921308), wk = 0.0025641 k( 233) = ( 0.2681472 0.6951228 0.4052018), wk = 0.0025641 k( 234) = ( 0.2663325 0.6904185 0.4182728), wk = 0.0025641 k( 235) = ( 0.2645178 0.6857142 0.4313439), wk = 0.0025641 k( 236) = ( 0.2627030 0.6810098 0.4444149), wk = 0.0025641 k( 237) = ( 0.2608883 0.6763055 0.4574859), wk = 0.0025641 k( 238) = ( 0.2590736 0.6716012 0.4705569), wk = 0.0025641 k( 239) = ( 0.2572589 0.6668968 0.4836280), wk = 0.0025641 k( 240) = ( 0.2554442 0.6621925 0.4966990), wk = 0.0025641 k( 241) = ( 0.2536294 0.6574882 0.5097700), wk = 0.0025641 k( 242) = ( 0.2518147 0.6527838 0.5228411), wk = 0.0025641 k( 243) = ( 0.2500000 0.6480795 0.5359121), wk = 0.0025641 k( 244) = ( 0.2500000 0.6480795 0.5359121), wk = 0.0025641 k( 245) = ( 0.2407407 0.6516513 0.5259878), wk = 0.0025641 k( 246) = ( 0.2314815 0.6552231 0.5160635), wk = 0.0025641 k( 247) = ( 0.2222222 0.6587949 0.5061392), wk = 0.0025641 k( 248) = ( 0.2129630 0.6623667 0.4962149), wk = 0.0025641 k( 249) = ( 0.2037037 0.6659385 0.4862906), wk = 0.0025641 k( 250) = ( 0.1944444 0.6695104 0.4763663), wk = 0.0025641 k( 251) = ( 0.1851852 0.6730822 0.4664420), wk = 0.0025641 k( 252) = ( 0.1759259 0.6766540 0.4565177), wk = 0.0025641 k( 253) = ( 0.1666667 0.6802258 0.4465934), wk = 0.0025641 k( 254) = ( 0.1574074 0.6837976 0.4366691), wk = 0.0025641 k( 255) = ( 0.1481482 0.6873694 0.4267448), wk = 0.0025641 k( 256) = ( 0.1388889 0.6909412 0.4168205), wk = 0.0025641 k( 257) = ( 0.1296296 0.6945130 0.4068962), wk = 0.0025641 k( 258) = ( 0.1203704 0.6980848 0.3969719), wk = 0.0025641 k( 259) = ( 0.1111111 0.7016566 0.3870476), wk = 0.0025641 k( 260) = ( 0.1018518 0.7052284 0.3771233), wk = 0.0025641 k( 261) = ( 0.0925926 0.7088002 0.3671990), wk = 0.0025641 k( 262) = ( 0.0833333 0.7123720 0.3572747), wk = 0.0025641 k( 263) = ( 0.0740741 0.7159438 0.3473504), wk = 0.0025641 k( 264) = ( 0.0648148 0.7195156 0.3374261), wk = 0.0025641 k( 265) = ( 0.0555556 0.7230874 0.3275018), wk = 0.0025641 k( 266) = ( 0.0462963 0.7266593 0.3175775), wk = 0.0025641 k( 267) = ( 0.0370370 0.7302311 0.3076532), wk = 0.0025641 k( 268) = ( 0.0277778 0.7338029 0.2977289), wk = 0.0025641 k( 269) = ( 0.0185185 0.7373747 0.2878046), wk = 0.0025641 k( 270) = ( 0.0092593 0.7409465 0.2778803), wk = 0.0025641 k( 271) = ( 0.0000000 0.7445183 0.2679560), wk = 0.0025641 k( 272) = ( 0.0000000 0.7445183 0.2679560), wk = 0.0025641 k( 273) = ( -0.0104646 0.7414074 0.2765998), wk = 0.0025641 k( 274) = ( -0.0209293 0.7382964 0.2852435), wk = 0.0025641 k( 275) = ( -0.0313939 0.7351855 0.2938873), wk = 0.0025641 k( 276) = ( -0.0418585 0.7320746 0.3025310), wk = 0.0025641 k( 277) = ( -0.0523231 0.7289636 0.3111748), wk = 0.0025641 k( 278) = ( -0.0627878 0.7258527 0.3198185), wk = 0.0025641 k( 279) = ( -0.0732524 0.7227418 0.3284622), wk = 0.0025641 k( 280) = ( -0.0837170 0.7196309 0.3371060), wk = 0.0025641 k( 281) = ( -0.0941817 0.7165199 0.3457497), wk = 0.0025641 k( 282) = ( -0.1046463 0.7134090 0.3543935), wk = 0.0025641 k( 283) = ( -0.1151109 0.7102981 0.3630372), wk = 0.0025641 k( 284) = ( -0.1255756 0.7071871 0.3716810), wk = 0.0025641 k( 285) = ( -0.1360402 0.7040762 0.3803247), wk = 0.0025641 k( 286) = ( -0.1465048 0.7009653 0.3889684), wk = 0.0025641 k( 287) = ( -0.1569694 0.6978544 0.3976122), wk = 0.0025641 k( 288) = ( -0.1674341 0.6947434 0.4062559), wk = 0.0025641 k( 289) = ( -0.1778987 0.6916325 0.4148997), wk = 0.0025641 k( 290) = ( -0.1883633 0.6885216 0.4235434), wk = 0.0025641 k( 291) = ( -0.1988280 0.6854106 0.4321872), wk = 0.0025641 k( 292) = ( -0.2092926 0.6822997 0.4408309), wk = 0.0025641 k( 293) = ( -0.2197572 0.6791888 0.4494746), wk = 0.0025641 k( 294) = ( -0.2302219 0.6760779 0.4581184), wk = 0.0025641 k( 295) = ( -0.2406865 0.6729669 0.4667621), wk = 0.0025641 k( 296) = ( -0.2511511 0.6698560 0.4754059), wk = 0.0025641 k( 297) = ( -0.2616157 0.6667451 0.4840496), wk = 0.0025641 k( 298) = ( -0.2720804 0.6636341 0.4926934), wk = 0.0025641 k( 299) = ( -0.2825450 0.6605232 0.5013371), wk = 0.0025641 k( 300) = ( -0.2930096 0.6574123 0.5099808), wk = 0.0025641 k( 301) = ( -0.3034743 0.6543014 0.5186246), wk = 0.0025641 k( 302) = ( -0.3139389 0.6511904 0.5272683), wk = 0.0025641 k( 303) = ( -0.3244035 0.6480795 0.5359121), wk = 0.0025641 k( 304) = ( -0.3244035 0.6480795 0.5359121), wk = 0.0025641 k( 305) = ( -0.3294206 0.6350737 0.5359121), wk = 0.0025641 k( 306) = ( -0.3344376 0.6220680 0.5359121), wk = 0.0025641 k( 307) = ( -0.3394546 0.6090622 0.5359121), wk = 0.0025641 k( 308) = ( -0.3444717 0.5960564 0.5359121), wk = 0.0025641 k( 309) = ( -0.3494887 0.5830506 0.5359121), wk = 0.0025641 k( 310) = ( -0.3545058 0.5700449 0.5359121), wk = 0.0025641 k( 311) = ( -0.3595228 0.5570391 0.5359121), wk = 0.0025641 k( 312) = ( -0.3645398 0.5440334 0.5359121), wk = 0.0025641 k( 313) = ( -0.3695569 0.5310276 0.5359121), wk = 0.0025641 k( 314) = ( -0.3745739 0.5180218 0.5359121), wk = 0.0025641 k( 315) = ( -0.3795910 0.5050160 0.5359121), wk = 0.0025641 k( 316) = ( -0.3846080 0.4920103 0.5359121), wk = 0.0025641 k( 317) = ( -0.3896251 0.4790045 0.5359121), wk = 0.0025641 k( 318) = ( -0.3946421 0.4659987 0.5359121), wk = 0.0025641 k( 319) = ( -0.3996592 0.4529930 0.5359121), wk = 0.0025641 k( 320) = ( -0.4046762 0.4399872 0.5359121), wk = 0.0025641 k( 321) = ( -0.4096932 0.4269814 0.5359121), wk = 0.0025641 k( 322) = ( -0.4147103 0.4139756 0.5359121), wk = 0.0025641 k( 323) = ( -0.4197273 0.4009699 0.5359121), wk = 0.0025641 k( 324) = ( -0.4247444 0.3879641 0.5359121), wk = 0.0025641 k( 325) = ( -0.4297614 0.3749583 0.5359121), wk = 0.0025641 k( 326) = ( -0.4347784 0.3619526 0.5359121), wk = 0.0025641 k( 327) = ( -0.4397955 0.3489468 0.5359121), wk = 0.0025641 k( 328) = ( -0.4448125 0.3359410 0.5359121), wk = 0.0025641 k( 329) = ( -0.4498296 0.3229353 0.5359121), wk = 0.0025641 k( 330) = ( -0.4548466 0.3099295 0.5359121), wk = 0.0025641 k( 331) = ( -0.4598637 0.2969237 0.5359121), wk = 0.0025641 k( 332) = ( -0.4648807 0.2839180 0.5359121), wk = 0.0025641 k( 333) = ( -0.4698978 0.2709122 0.5359121), wk = 0.0025641 k( 334) = ( -0.4749148 0.2579064 0.5359121), wk = 0.0025641 k( 335) = ( -0.4799318 0.2449006 0.5359121), wk = 0.0025641 k( 336) = ( -0.4849489 0.2318949 0.5359121), wk = 0.0025641 k( 337) = ( -0.4899659 0.2188891 0.5359121), wk = 0.0025641 k( 338) = ( -0.4949830 0.2058833 0.5359121), wk = 0.0025641 k( 339) = ( -0.5000000 0.1928776 0.5359121), wk = 0.0025641 k( 340) = ( 0.0000000 0.0000000 0.5359121), wk = 0.0025641 k( 341) = ( 0.0050000 0.0129616 0.5359121), wk = 0.0025641 k( 342) = ( 0.0100000 0.0259232 0.5359121), wk = 0.0025641 k( 343) = ( 0.0150000 0.0388848 0.5359121), wk = 0.0025641 k( 344) = ( 0.0200000 0.0518464 0.5359121), wk = 0.0025641 k( 345) = ( 0.0250000 0.0648080 0.5359121), wk = 0.0025641 k( 346) = ( 0.0300000 0.0777695 0.5359121), wk = 0.0025641 k( 347) = ( 0.0350000 0.0907311 0.5359121), wk = 0.0025641 k( 348) = ( 0.0400000 0.1036927 0.5359121), wk = 0.0025641 k( 349) = ( 0.0450000 0.1166543 0.5359121), wk = 0.0025641 k( 350) = ( 0.0500000 0.1296159 0.5359121), wk = 0.0025641 k( 351) = ( 0.0550000 0.1425775 0.5359121), wk = 0.0025641 k( 352) = ( 0.0600000 0.1555391 0.5359121), wk = 0.0025641 k( 353) = ( 0.0650000 0.1685007 0.5359121), wk = 0.0025641 k( 354) = ( 0.0700000 0.1814623 0.5359121), wk = 0.0025641 k( 355) = ( 0.0750000 0.1944239 0.5359121), wk = 0.0025641 k( 356) = ( 0.0800000 0.2073854 0.5359121), wk = 0.0025641 k( 357) = ( 0.0850000 0.2203470 0.5359121), wk = 0.0025641 k( 358) = ( 0.0900000 0.2333086 0.5359121), wk = 0.0025641 k( 359) = ( 0.0950000 0.2462702 0.5359121), wk = 0.0025641 k( 360) = ( 0.1000000 0.2592318 0.5359121), wk = 0.0025641 k( 361) = ( 0.1050000 0.2721934 0.5359121), wk = 0.0025641 k( 362) = ( 0.1100000 0.2851550 0.5359121), wk = 0.0025641 k( 363) = ( 0.1150000 0.2981166 0.5359121), wk = 0.0025641 k( 364) = ( 0.1200000 0.3110782 0.5359121), wk = 0.0025641 k( 365) = ( 0.1250000 0.3240398 0.5359121), wk = 0.0025641 k( 366) = ( 0.1300000 0.3370013 0.5359121), wk = 0.0025641 k( 367) = ( 0.1350000 0.3499629 0.5359121), wk = 0.0025641 k( 368) = ( 0.1400000 0.3629245 0.5359121), wk = 0.0025641 k( 369) = ( 0.1450000 0.3758861 0.5359121), wk = 0.0025641 k( 370) = ( 0.1500000 0.3888477 0.5359121), wk = 0.0025641 k( 371) = ( 0.1550000 0.4018093 0.5359121), wk = 0.0025641 k( 372) = ( 0.1600000 0.4147709 0.5359121), wk = 0.0025641 k( 373) = ( 0.1650000 0.4277325 0.5359121), wk = 0.0025641 k( 374) = ( 0.1700000 0.4406941 0.5359121), wk = 0.0025641 k( 375) = ( 0.1750000 0.4536557 0.5359121), wk = 0.0025641 k( 376) = ( 0.1800000 0.4666172 0.5359121), wk = 0.0025641 k( 377) = ( 0.1850000 0.4795788 0.5359121), wk = 0.0025641 k( 378) = ( 0.1900000 0.4925404 0.5359121), wk = 0.0025641 k( 379) = ( 0.1950000 0.5055020 0.5359121), wk = 0.0025641 k( 380) = ( 0.2000000 0.5184636 0.5359121), wk = 0.0025641 k( 381) = ( 0.2050000 0.5314252 0.5359121), wk = 0.0025641 k( 382) = ( 0.2100000 0.5443868 0.5359121), wk = 0.0025641 k( 383) = ( 0.2150000 0.5573484 0.5359121), wk = 0.0025641 k( 384) = ( 0.2200000 0.5703100 0.5359121), wk = 0.0025641 k( 385) = ( 0.2250000 0.5832716 0.5359121), wk = 0.0025641 k( 386) = ( 0.2300000 0.5962331 0.5359121), wk = 0.0025641 k( 387) = ( 0.2350000 0.6091947 0.5359121), wk = 0.0025641 k( 388) = ( 0.2400000 0.6221563 0.5359121), wk = 0.0025641 k( 389) = ( 0.2450000 0.6351179 0.5359121), wk = 0.0025641 k( 390) = ( 0.2500000 0.6480795 0.5359121), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025641 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025641 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025641 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0025641 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025641 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025641 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025641 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025641 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025641 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025641 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025641 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025641 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025641 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025641 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025641 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025641 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025641 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025641 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025641 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025641 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025641 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025641 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025641 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025641 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025641 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025641 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025641 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025641 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025641 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025641 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025641 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025641 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025641 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025641 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0025641 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025641 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025641 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025641 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 42) = ( -0.0128205 0.0128205 0.5000000), wk = 0.0025641 k( 43) = ( -0.0256410 0.0256410 0.5000000), wk = 0.0025641 k( 44) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0025641 k( 45) = ( -0.0512821 0.0512821 0.5000000), wk = 0.0025641 k( 46) = ( -0.0641026 0.0641026 0.5000000), wk = 0.0025641 k( 47) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0025641 k( 48) = ( -0.0897436 0.0897436 0.5000000), wk = 0.0025641 k( 49) = ( -0.1025641 0.1025641 0.5000000), wk = 0.0025641 k( 50) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0025641 k( 51) = ( -0.1282051 0.1282051 0.5000000), wk = 0.0025641 k( 52) = ( -0.1410256 0.1410256 0.5000000), wk = 0.0025641 k( 53) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0025641 k( 54) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025641 k( 55) = ( -0.1794872 0.1794872 0.5000000), wk = 0.0025641 k( 56) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0025641 k( 57) = ( -0.2051282 0.2051282 0.5000000), wk = 0.0025641 k( 58) = ( -0.2179487 0.2179487 0.5000000), wk = 0.0025641 k( 59) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0025641 k( 60) = ( -0.2435897 0.2435897 0.5000000), wk = 0.0025641 k( 61) = ( -0.2564103 0.2564103 0.5000000), wk = 0.0025641 k( 62) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0025641 k( 63) = ( -0.2820513 0.2820513 0.5000000), wk = 0.0025641 k( 64) = ( -0.2948718 0.2948718 0.5000000), wk = 0.0025641 k( 65) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0025641 k( 66) = ( -0.3205128 0.3205128 0.5000000), wk = 0.0025641 k( 67) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025641 k( 68) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0025641 k( 69) = ( -0.3589744 0.3589744 0.5000000), wk = 0.0025641 k( 70) = ( -0.3717949 0.3717949 0.5000000), wk = 0.0025641 k( 71) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0025641 k( 72) = ( -0.3974359 0.3974359 0.5000000), wk = 0.0025641 k( 73) = ( -0.4102564 0.4102564 0.5000000), wk = 0.0025641 k( 74) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0025641 k( 75) = ( -0.4358974 0.4358974 0.5000000), wk = 0.0025641 k( 76) = ( -0.4487179 0.4487179 0.5000000), wk = 0.0025641 k( 77) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0025641 k( 78) = ( -0.4743590 0.4743590 0.5000000), wk = 0.0025641 k( 79) = ( -0.4871795 0.4871795 0.5000000), wk = 0.0025641 k( 80) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 81) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 82) = ( -0.4907407 0.4907407 0.4907407), wk = 0.0025641 k( 83) = ( -0.4814815 0.4814815 0.4814815), wk = 0.0025641 k( 84) = ( -0.4722222 0.4722222 0.4722222), wk = 0.0025641 k( 85) = ( -0.4629630 0.4629630 0.4629630), wk = 0.0025641 k( 86) = ( -0.4537037 0.4537037 0.4537037), wk = 0.0025641 k( 87) = ( -0.4444444 0.4444444 0.4444444), wk = 0.0025641 k( 88) = ( -0.4351852 0.4351852 0.4351852), wk = 0.0025641 k( 89) = ( -0.4259259 0.4259259 0.4259259), wk = 0.0025641 k( 90) = ( -0.4166667 0.4166667 0.4166667), wk = 0.0025641 k( 91) = ( -0.4074074 0.4074074 0.4074074), wk = 0.0025641 k( 92) = ( -0.3981481 0.3981481 0.3981481), wk = 0.0025641 k( 93) = ( -0.3888889 0.3888889 0.3888889), wk = 0.0025641 k( 94) = ( -0.3796296 0.3796296 0.3796296), wk = 0.0025641 k( 95) = ( -0.3703704 0.3703704 0.3703704), wk = 0.0025641 k( 96) = ( -0.3611111 0.3611111 0.3611111), wk = 0.0025641 k( 97) = ( -0.3518519 0.3518519 0.3518518), wk = 0.0025641 k( 98) = ( -0.3425926 0.3425926 0.3425926), wk = 0.0025641 k( 99) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0025641 k( 100) = ( -0.3240741 0.3240741 0.3240741), wk = 0.0025641 k( 101) = ( -0.3148148 0.3148148 0.3148148), wk = 0.0025641 k( 102) = ( -0.3055556 0.3055556 0.3055556), wk = 0.0025641 k( 103) = ( -0.2962963 0.2962963 0.2962963), wk = 0.0025641 k( 104) = ( -0.2870370 0.2870370 0.2870370), wk = 0.0025641 k( 105) = ( -0.2777778 0.2777778 0.2777778), wk = 0.0025641 k( 106) = ( -0.2685185 0.2685185 0.2685185), wk = 0.0025641 k( 107) = ( -0.2592593 0.2592593 0.2592593), wk = 0.0025641 k( 108) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0025641 k( 109) = ( -0.2407407 0.2407407 0.2407407), wk = 0.0025641 k( 110) = ( -0.2314815 0.2314815 0.2314815), wk = 0.0025641 k( 111) = ( -0.2222222 0.2222222 0.2222222), wk = 0.0025641 k( 112) = ( -0.2129630 0.2129630 0.2129630), wk = 0.0025641 k( 113) = ( -0.2037037 0.2037037 0.2037037), wk = 0.0025641 k( 114) = ( -0.1944444 0.1944444 0.1944444), wk = 0.0025641 k( 115) = ( -0.1851852 0.1851852 0.1851852), wk = 0.0025641 k( 116) = ( -0.1759259 0.1759259 0.1759259), wk = 0.0025641 k( 117) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0025641 k( 118) = ( -0.1574074 0.1574074 0.1574074), wk = 0.0025641 k( 119) = ( -0.1481482 0.1481482 0.1481481), wk = 0.0025641 k( 120) = ( -0.1388889 0.1388889 0.1388889), wk = 0.0025641 k( 121) = ( -0.1296296 0.1296296 0.1296296), wk = 0.0025641 k( 122) = ( -0.1203704 0.1203704 0.1203704), wk = 0.0025641 k( 123) = ( -0.1111111 0.1111111 0.1111111), wk = 0.0025641 k( 124) = ( -0.1018518 0.1018518 0.1018518), wk = 0.0025641 k( 125) = ( -0.0925926 0.0925926 0.0925926), wk = 0.0025641 k( 126) = ( -0.0833333 0.0833333 0.0833333), wk = 0.0025641 k( 127) = ( -0.0740741 0.0740741 0.0740741), wk = 0.0025641 k( 128) = ( -0.0648148 0.0648148 0.0648148), wk = 0.0025641 k( 129) = ( -0.0555556 0.0555556 0.0555556), wk = 0.0025641 k( 130) = ( -0.0462963 0.0462963 0.0462963), wk = 0.0025641 k( 131) = ( -0.0370370 0.0370370 0.0370370), wk = 0.0025641 k( 132) = ( -0.0277778 0.0277778 0.0277778), wk = 0.0025641 k( 133) = ( -0.0185185 0.0185185 0.0185185), wk = 0.0025641 k( 134) = ( -0.0092593 0.0092593 0.0092593), wk = 0.0025641 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 137) = ( 0.0049908 0.0049908 -0.0049908), wk = 0.0025641 k( 138) = ( 0.0099816 0.0099816 -0.0099816), wk = 0.0025641 k( 139) = ( 0.0149725 0.0149725 -0.0149725), wk = 0.0025641 k( 140) = ( 0.0199633 0.0199633 -0.0199633), wk = 0.0025641 k( 141) = ( 0.0249541 0.0249541 -0.0249541), wk = 0.0025641 k( 142) = ( 0.0299449 0.0299449 -0.0299449), wk = 0.0025641 k( 143) = ( 0.0349358 0.0349358 -0.0349358), wk = 0.0025641 k( 144) = ( 0.0399266 0.0399266 -0.0399266), wk = 0.0025641 k( 145) = ( 0.0449174 0.0449174 -0.0449174), wk = 0.0025641 k( 146) = ( 0.0499082 0.0499082 -0.0499082), wk = 0.0025641 k( 147) = ( 0.0548991 0.0548991 -0.0548991), wk = 0.0025641 k( 148) = ( 0.0598899 0.0598899 -0.0598899), wk = 0.0025641 k( 149) = ( 0.0648807 0.0648807 -0.0648807), wk = 0.0025641 k( 150) = ( 0.0698715 0.0698715 -0.0698715), wk = 0.0025641 k( 151) = ( 0.0748623 0.0748623 -0.0748623), wk = 0.0025641 k( 152) = ( 0.0798532 0.0798532 -0.0798532), wk = 0.0025641 k( 153) = ( 0.0848440 0.0848440 -0.0848440), wk = 0.0025641 k( 154) = ( 0.0898348 0.0898348 -0.0898348), wk = 0.0025641 k( 155) = ( 0.0948256 0.0948256 -0.0948256), wk = 0.0025641 k( 156) = ( 0.0998165 0.0998165 -0.0998165), wk = 0.0025641 k( 157) = ( 0.1048073 0.1048073 -0.1048073), wk = 0.0025641 k( 158) = ( 0.1097981 0.1097981 -0.1097981), wk = 0.0025641 k( 159) = ( 0.1147889 0.1147889 -0.1147889), wk = 0.0025641 k( 160) = ( 0.1197798 0.1197798 -0.1197798), wk = 0.0025641 k( 161) = ( 0.1247706 0.1247706 -0.1247706), wk = 0.0025641 k( 162) = ( 0.1297614 0.1297614 -0.1297614), wk = 0.0025641 k( 163) = ( 0.1347522 0.1347522 -0.1347522), wk = 0.0025641 k( 164) = ( 0.1397431 0.1397430 -0.1397431), wk = 0.0025641 k( 165) = ( 0.1447339 0.1447339 -0.1447339), wk = 0.0025641 k( 166) = ( 0.1497247 0.1497247 -0.1497247), wk = 0.0025641 k( 167) = ( 0.1547155 0.1547155 -0.1547155), wk = 0.0025641 k( 168) = ( 0.1597063 0.1597063 -0.1597063), wk = 0.0025641 k( 169) = ( 0.1646972 0.1646972 -0.1646972), wk = 0.0025641 k( 170) = ( 0.1696880 0.1696880 -0.1696880), wk = 0.0025641 k( 171) = ( 0.1746788 0.1746788 -0.1746788), wk = 0.0025641 k( 172) = ( 0.1796696 0.1796696 -0.1796696), wk = 0.0025641 k( 173) = ( 0.1846605 0.1846605 -0.1846605), wk = 0.0025641 k( 174) = ( 0.1896513 0.1896513 -0.1896513), wk = 0.0025641 k( 175) = ( 0.1946421 0.1946421 -0.1946421), wk = 0.0025641 k( 176) = ( 0.1996329 0.1996329 -0.1996329), wk = 0.0025641 k( 177) = ( 0.2046237 0.2046237 -0.2046237), wk = 0.0025641 k( 178) = ( 0.2096146 0.2096146 -0.2096146), wk = 0.0025641 k( 179) = ( 0.2146054 0.2146054 -0.2146054), wk = 0.0025641 k( 180) = ( 0.2195962 0.2195962 -0.2195962), wk = 0.0025641 k( 181) = ( 0.2245871 0.2245871 -0.2245871), wk = 0.0025641 k( 182) = ( 0.2295779 0.2295779 -0.2295779), wk = 0.0025641 k( 183) = ( 0.2345687 0.2345687 -0.2345687), wk = 0.0025641 k( 184) = ( 0.2395595 0.2395595 -0.2395595), wk = 0.0025641 k( 185) = ( 0.2445503 0.2445503 -0.2445503), wk = 0.0025641 k( 186) = ( 0.2495412 0.2495412 -0.2495412), wk = 0.0025641 k( 187) = ( 0.2545320 0.2545320 -0.2545320), wk = 0.0025641 k( 188) = ( 0.2595228 0.2595228 -0.2595228), wk = 0.0025641 k( 189) = ( 0.2645136 0.2645136 -0.2645136), wk = 0.0025641 k( 190) = ( 0.2695045 0.2695045 -0.2695045), wk = 0.0025641 k( 191) = ( 0.2744953 0.2744953 -0.2744953), wk = 0.0025641 k( 192) = ( 0.2794861 0.2794861 -0.2794861), wk = 0.0025641 k( 193) = ( 0.2844769 0.2844769 -0.2844769), wk = 0.0025641 k( 194) = ( 0.2894678 0.2894677 -0.2894678), wk = 0.0025641 k( 195) = ( 0.2944586 0.2944586 -0.2944586), wk = 0.0025641 k( 196) = ( 0.2994494 0.2994494 -0.2994494), wk = 0.0025641 k( 197) = ( 0.3044402 0.3044402 -0.3044402), wk = 0.0025641 k( 198) = ( 0.3094310 0.3094310 -0.3094310), wk = 0.0025641 k( 199) = ( 0.3144219 0.3144219 -0.3144219), wk = 0.0025641 k( 200) = ( 0.3194127 0.3194127 -0.3194127), wk = 0.0025641 k( 201) = ( 0.3244035 0.3244035 -0.3244035), wk = 0.0025641 k( 202) = ( 0.3244035 0.3244035 -0.3244035), wk = 0.0025641 k( 203) = ( 0.3225888 0.3225888 -0.3103937), wk = 0.0025641 k( 204) = ( 0.3207741 0.3207741 -0.2963838), wk = 0.0025641 k( 205) = ( 0.3189593 0.3189593 -0.2823740), wk = 0.0025641 k( 206) = ( 0.3171446 0.3171446 -0.2683641), wk = 0.0025641 k( 207) = ( 0.3153299 0.3153299 -0.2543543), wk = 0.0025641 k( 208) = ( 0.3135152 0.3135152 -0.2403445), wk = 0.0025641 k( 209) = ( 0.3117005 0.3117005 -0.2263346), wk = 0.0025641 k( 210) = ( 0.3098858 0.3098857 -0.2123248), wk = 0.0025641 k( 211) = ( 0.3080710 0.3080710 -0.1983149), wk = 0.0025641 k( 212) = ( 0.3062563 0.3062563 -0.1843051), wk = 0.0025641 k( 213) = ( 0.3044416 0.3044416 -0.1702952), wk = 0.0025641 k( 214) = ( 0.3026269 0.3026269 -0.1562854), wk = 0.0025641 k( 215) = ( 0.3008122 0.3008122 -0.1422756), wk = 0.0025641 k( 216) = ( 0.2989974 0.2989974 -0.1282657), wk = 0.0025641 k( 217) = ( 0.2971827 0.2971827 -0.1142559), wk = 0.0025641 k( 218) = ( 0.2953680 0.2953680 -0.1002460), wk = 0.0025641 k( 219) = ( 0.2935533 0.2935533 -0.0862362), wk = 0.0025641 k( 220) = ( 0.2917386 0.2917386 -0.0722264), wk = 0.0025641 k( 221) = ( 0.2899238 0.2899238 -0.0582165), wk = 0.0025641 k( 222) = ( 0.2881091 0.2881091 -0.0442067), wk = 0.0025641 k( 223) = ( 0.2862944 0.2862944 -0.0301968), wk = 0.0025641 k( 224) = ( 0.2844797 0.2844797 -0.0161870), wk = 0.0025641 k( 225) = ( 0.2826650 0.2826650 -0.0021771), wk = 0.0025641 k( 226) = ( 0.2808502 0.2808502 0.0118327), wk = 0.0025641 k( 227) = ( 0.2790355 0.2790355 0.0258425), wk = 0.0025641 k( 228) = ( 0.2772208 0.2772208 0.0398524), wk = 0.0025641 k( 229) = ( 0.2754061 0.2754061 0.0538622), wk = 0.0025641 k( 230) = ( 0.2735914 0.2735914 0.0678721), wk = 0.0025641 k( 231) = ( 0.2717766 0.2717766 0.0818819), wk = 0.0025641 k( 232) = ( 0.2699619 0.2699619 0.0958917), wk = 0.0025641 k( 233) = ( 0.2681472 0.2681472 0.1099016), wk = 0.0025641 k( 234) = ( 0.2663325 0.2663325 0.1239114), wk = 0.0025641 k( 235) = ( 0.2645178 0.2645178 0.1379213), wk = 0.0025641 k( 236) = ( 0.2627030 0.2627030 0.1519311), wk = 0.0025641 k( 237) = ( 0.2608883 0.2608883 0.1659410), wk = 0.0025641 k( 238) = ( 0.2590736 0.2590736 0.1799508), wk = 0.0025641 k( 239) = ( 0.2572589 0.2572589 0.1939606), wk = 0.0025641 k( 240) = ( 0.2554442 0.2554442 0.2079705), wk = 0.0025641 k( 241) = ( 0.2536294 0.2536294 0.2219803), wk = 0.0025641 k( 242) = ( 0.2518147 0.2518147 0.2359902), wk = 0.0025641 k( 243) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 k( 244) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 k( 245) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0025641 k( 246) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0025641 k( 247) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0025641 k( 248) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0025641 k( 249) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0025641 k( 250) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0025641 k( 251) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0025641 k( 252) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0025641 k( 253) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0025641 k( 254) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0025641 k( 255) = ( 0.1481482 0.3518518 0.1481482), wk = 0.0025641 k( 256) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0025641 k( 257) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0025641 k( 258) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0025641 k( 259) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0025641 k( 260) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0025641 k( 261) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0025641 k( 262) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0025641 k( 263) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0025641 k( 264) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0025641 k( 265) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0025641 k( 266) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0025641 k( 267) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0025641 k( 268) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0025641 k( 269) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0025641 k( 270) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0025641 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 272) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 273) = ( -0.0104646 0.5056644 0.0104646), wk = 0.0025641 k( 274) = ( -0.0209293 0.5113288 0.0209293), wk = 0.0025641 k( 275) = ( -0.0313939 0.5169932 0.0313939), wk = 0.0025641 k( 276) = ( -0.0418585 0.5226576 0.0418585), wk = 0.0025641 k( 277) = ( -0.0523231 0.5283220 0.0523231), wk = 0.0025641 k( 278) = ( -0.0627878 0.5339864 0.0627878), wk = 0.0025641 k( 279) = ( -0.0732524 0.5396508 0.0732524), wk = 0.0025641 k( 280) = ( -0.0837170 0.5453152 0.0837170), wk = 0.0025641 k( 281) = ( -0.0941817 0.5509796 0.0941817), wk = 0.0025641 k( 282) = ( -0.1046463 0.5566440 0.1046463), wk = 0.0025641 k( 283) = ( -0.1151109 0.5623084 0.1151109), wk = 0.0025641 k( 284) = ( -0.1255756 0.5679728 0.1255755), wk = 0.0025641 k( 285) = ( -0.1360402 0.5736372 0.1360402), wk = 0.0025641 k( 286) = ( -0.1465048 0.5793016 0.1465048), wk = 0.0025641 k( 287) = ( -0.1569694 0.5849660 0.1569694), wk = 0.0025641 k( 288) = ( -0.1674341 0.5906304 0.1674341), wk = 0.0025641 k( 289) = ( -0.1778987 0.5962949 0.1778987), wk = 0.0025641 k( 290) = ( -0.1883633 0.6019592 0.1883633), wk = 0.0025641 k( 291) = ( -0.1988280 0.6076236 0.1988280), wk = 0.0025641 k( 292) = ( -0.2092926 0.6132881 0.2092926), wk = 0.0025641 k( 293) = ( -0.2197572 0.6189525 0.2197572), wk = 0.0025641 k( 294) = ( -0.2302219 0.6246169 0.2302218), wk = 0.0025641 k( 295) = ( -0.2406865 0.6302813 0.2406865), wk = 0.0025641 k( 296) = ( -0.2511511 0.6359457 0.2511511), wk = 0.0025641 k( 297) = ( -0.2616157 0.6416101 0.2616157), wk = 0.0025641 k( 298) = ( -0.2720804 0.6472745 0.2720804), wk = 0.0025641 k( 299) = ( -0.2825450 0.6529389 0.2825450), wk = 0.0025641 k( 300) = ( -0.2930096 0.6586033 0.2930096), wk = 0.0025641 k( 301) = ( -0.3034743 0.6642677 0.3034742), wk = 0.0025641 k( 302) = ( -0.3139389 0.6699321 0.3139389), wk = 0.0025641 k( 303) = ( -0.3244035 0.6755965 0.3244035), wk = 0.0025641 k( 304) = ( -0.3244035 0.6755965 0.3244035), wk = 0.0025641 k( 305) = ( -0.3294206 0.6705794 0.3294206), wk = 0.0025641 k( 306) = ( -0.3344376 0.6655624 0.3344376), wk = 0.0025641 k( 307) = ( -0.3394546 0.6605454 0.3394546), wk = 0.0025641 k( 308) = ( -0.3444717 0.6555283 0.3444717), wk = 0.0025641 k( 309) = ( -0.3494887 0.6505113 0.3494887), wk = 0.0025641 k( 310) = ( -0.3545058 0.6454942 0.3545058), wk = 0.0025641 k( 311) = ( -0.3595228 0.6404772 0.3595228), wk = 0.0025641 k( 312) = ( -0.3645398 0.6354602 0.3645398), wk = 0.0025641 k( 313) = ( -0.3695569 0.6304431 0.3695569), wk = 0.0025641 k( 314) = ( -0.3745739 0.6254261 0.3745739), wk = 0.0025641 k( 315) = ( -0.3795910 0.6204090 0.3795910), wk = 0.0025641 k( 316) = ( -0.3846080 0.6153920 0.3846080), wk = 0.0025641 k( 317) = ( -0.3896251 0.6103749 0.3896251), wk = 0.0025641 k( 318) = ( -0.3946421 0.6053579 0.3946421), wk = 0.0025641 k( 319) = ( -0.3996592 0.6003409 0.3996591), wk = 0.0025641 k( 320) = ( -0.4046762 0.5953238 0.4046762), wk = 0.0025641 k( 321) = ( -0.4096932 0.5903068 0.4096932), wk = 0.0025641 k( 322) = ( -0.4147103 0.5852897 0.4147103), wk = 0.0025641 k( 323) = ( -0.4197273 0.5802727 0.4197273), wk = 0.0025641 k( 324) = ( -0.4247444 0.5752556 0.4247444), wk = 0.0025641 k( 325) = ( -0.4297614 0.5702386 0.4297614), wk = 0.0025641 k( 326) = ( -0.4347784 0.5652215 0.4347784), wk = 0.0025641 k( 327) = ( -0.4397955 0.5602045 0.4397955), wk = 0.0025641 k( 328) = ( -0.4448125 0.5551875 0.4448125), wk = 0.0025641 k( 329) = ( -0.4498296 0.5501704 0.4498296), wk = 0.0025641 k( 330) = ( -0.4548466 0.5451534 0.4548466), wk = 0.0025641 k( 331) = ( -0.4598637 0.5401363 0.4598637), wk = 0.0025641 k( 332) = ( -0.4648807 0.5351193 0.4648807), wk = 0.0025641 k( 333) = ( -0.4698978 0.5301022 0.4698977), wk = 0.0025641 k( 334) = ( -0.4749148 0.5250852 0.4749148), wk = 0.0025641 k( 335) = ( -0.4799318 0.5200682 0.4799318), wk = 0.0025641 k( 336) = ( -0.4849489 0.5150511 0.4849489), wk = 0.0025641 k( 337) = ( -0.4899659 0.5100341 0.4899659), wk = 0.0025641 k( 338) = ( -0.4949830 0.5050170 0.4949830), wk = 0.0025641 k( 339) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 340) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 341) = ( 0.0050000 0.0050000 0.4950000), wk = 0.0025641 k( 342) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0025641 k( 343) = ( 0.0150000 0.0150000 0.4850000), wk = 0.0025641 k( 344) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0025641 k( 345) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0025641 k( 346) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0025641 k( 347) = ( 0.0350000 0.0350000 0.4650000), wk = 0.0025641 k( 348) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0025641 k( 349) = ( 0.0450000 0.0450000 0.4550000), wk = 0.0025641 k( 350) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0025641 k( 351) = ( 0.0550000 0.0550000 0.4450000), wk = 0.0025641 k( 352) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0025641 k( 353) = ( 0.0650000 0.0650000 0.4350000), wk = 0.0025641 k( 354) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0025641 k( 355) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0025641 k( 356) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0025641 k( 357) = ( 0.0850000 0.0850000 0.4150000), wk = 0.0025641 k( 358) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0025641 k( 359) = ( 0.0950000 0.0950000 0.4050000), wk = 0.0025641 k( 360) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0025641 k( 361) = ( 0.1050000 0.1050000 0.3950000), wk = 0.0025641 k( 362) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0025641 k( 363) = ( 0.1150000 0.1150000 0.3850000), wk = 0.0025641 k( 364) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0025641 k( 365) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0025641 k( 366) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0025641 k( 367) = ( 0.1350000 0.1350000 0.3650000), wk = 0.0025641 k( 368) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0025641 k( 369) = ( 0.1450000 0.1450000 0.3550000), wk = 0.0025641 k( 370) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0025641 k( 371) = ( 0.1550000 0.1550000 0.3450000), wk = 0.0025641 k( 372) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0025641 k( 373) = ( 0.1650000 0.1650000 0.3350000), wk = 0.0025641 k( 374) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0025641 k( 375) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0025641 k( 376) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0025641 k( 377) = ( 0.1850000 0.1850000 0.3150000), wk = 0.0025641 k( 378) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0025641 k( 379) = ( 0.1950000 0.1950000 0.3050000), wk = 0.0025641 k( 380) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0025641 k( 381) = ( 0.2050000 0.2050000 0.2950000), wk = 0.0025641 k( 382) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0025641 k( 383) = ( 0.2150000 0.2150000 0.2850000), wk = 0.0025641 k( 384) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0025641 k( 385) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0025641 k( 386) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0025641 k( 387) = ( 0.2350000 0.2350000 0.2650000), wk = 0.0025641 k( 388) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0025641 k( 389) = ( 0.2450000 0.2450000 0.2550000), wk = 0.0025641 k( 390) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 Dense grid: 24191 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16289 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 126, 36) NL pseudopotentials 0.07 Mb ( 63, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 674) G-vector shells 0.00 Mb ( 321) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 126, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sn.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt 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Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.7 secs Computing kpt #: 34 total cpu time spent up to now is 10.9 secs Computing kpt #: 35 total cpu time spent up to now is 11.1 secs Computing kpt #: 36 total cpu time spent up to now is 11.2 secs Computing kpt #: 37 total cpu time spent up to now is 11.4 secs Computing kpt #: 38 total cpu time spent up to now is 11.6 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.0 secs Computing kpt #: 42 total cpu time spent up to now is 12.2 secs Computing kpt #: 43 total cpu time spent up to now is 12.4 secs Computing kpt #: 44 total cpu time spent up to now is 12.5 secs Computing kpt #: 45 total cpu time spent up to now is 12.7 secs Computing kpt #: 46 total cpu time spent up to now is 12.9 secs Computing kpt #: 47 total cpu time spent up to now is 13.0 secs Computing kpt #: 48 total cpu time spent up to now is 13.2 secs Computing kpt #: 49 total cpu time spent up to now is 13.4 secs Computing kpt #: 50 total cpu time spent up to now is 13.5 secs Computing kpt #: 51 total cpu time spent up to now is 13.7 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.2 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 14.8 secs Computing kpt #: 58 total cpu time spent up to now is 14.9 secs Computing kpt #: 59 total cpu time spent up to now is 15.1 secs Computing kpt #: 60 total cpu time spent up to now is 15.3 secs Computing kpt #: 61 total cpu time spent up to now is 15.5 secs Computing kpt #: 62 total cpu time spent up to now is 15.6 secs Computing kpt #: 63 total cpu time spent up to now is 15.8 secs Computing kpt #: 64 total cpu time spent up to now is 16.0 secs Computing kpt #: 65 total cpu time spent up to now is 16.2 secs Computing kpt #: 66 total cpu time spent up to now is 16.3 secs Computing kpt #: 67 total cpu time spent up to now is 16.5 secs Computing kpt #: 68 total cpu time spent up to now is 16.7 secs Computing kpt #: 69 total cpu time spent up to now is 16.9 secs Computing kpt #: 70 total cpu time spent up to now is 17.1 secs Computing kpt #: 71 total cpu time spent up to now is 17.2 secs Computing kpt #: 72 total cpu time spent up to now is 17.4 secs Computing kpt #: 73 total cpu time spent up to now is 17.6 secs Computing kpt #: 74 total cpu time spent up to now is 17.8 secs Computing kpt #: 75 total cpu time spent up to now is 17.9 secs Computing kpt #: 76 total cpu time spent up to now is 18.1 secs Computing kpt #: 77 total cpu time spent up to now is 18.3 secs Computing kpt #: 78 total cpu time spent up to now is 18.5 secs Computing kpt #: 79 total cpu time spent up to now is 18.6 secs Computing kpt #: 80 total cpu time spent up to now is 18.8 secs Computing kpt #: 81 total cpu time spent up to now is 19.0 secs Computing kpt #: 82 total cpu time spent up to now is 19.2 secs Computing kpt #: 83 total cpu time spent up to now is 19.3 secs Computing kpt #: 84 total cpu time spent up to now is 19.5 secs Computing kpt #: 85 total cpu time spent up to now is 19.7 secs Computing kpt #: 86 total cpu time spent up to now is 19.9 secs Computing kpt #: 87 total cpu time spent up to now is 20.0 secs Computing kpt #: 88 total cpu time spent up to now is 20.2 secs Computing kpt #: 89 total cpu time spent up to now is 20.4 secs Computing kpt #: 90 total cpu time spent up to now is 20.6 secs Computing kpt #: 91 total cpu time spent up to now is 20.7 secs Computing kpt #: 92 total cpu 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secs Computing kpt #: 108 total cpu time spent up to now is 24.0 secs Computing kpt #: 109 total cpu time spent up to now is 24.2 secs Computing kpt #: 110 total cpu time spent up to now is 24.4 secs Computing kpt #: 111 total cpu time spent up to now is 24.6 secs Computing kpt #: 112 total cpu time spent up to now is 24.8 secs Computing kpt #: 113 total cpu time spent up to now is 25.0 secs Computing kpt #: 114 total cpu time spent up to now is 25.1 secs Computing kpt #: 115 total cpu time spent up to now is 25.3 secs Computing kpt #: 116 total cpu time spent up to now is 25.5 secs Computing kpt #: 117 total cpu time spent up to now is 25.7 secs Computing kpt #: 118 total cpu time spent up to now is 26.0 secs Computing kpt #: 119 total cpu time spent up to now is 26.2 secs Computing kpt #: 120 total cpu time spent up to now is 26.4 secs Computing kpt #: 121 total cpu time spent up to now is 26.6 secs Computing kpt #: 122 total cpu time spent up to now is 26.9 secs Computing kpt #: 123 total cpu time spent up to now is 27.1 secs Computing kpt #: 124 total cpu time spent up to now is 27.4 secs Computing kpt #: 125 total cpu time spent up to now is 27.6 secs Computing kpt #: 126 total cpu time spent up to now is 27.8 secs Computing kpt #: 127 total cpu time spent up to now is 28.0 secs Computing kpt #: 128 total cpu time spent up to now is 28.2 secs Computing kpt #: 129 total cpu time spent up to now is 28.5 secs Computing kpt #: 130 total cpu time spent up to now is 28.8 secs Computing kpt #: 131 total cpu time spent up to now is 29.0 secs Computing kpt #: 132 total cpu time spent up to now is 29.2 secs Computing kpt #: 133 total cpu time spent up to now is 29.5 secs Computing kpt #: 134 total cpu time spent up to now is 29.7 secs Computing kpt #: 135 total cpu time spent up to now is 30.0 secs Computing kpt #: 136 total cpu time spent up to now is 30.2 secs Computing kpt #: 137 total cpu time spent up to now is 30.4 secs Computing kpt #: 138 total cpu time spent up 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Computing kpt #: 154 total cpu time spent up to now is 34.0 secs Computing kpt #: 155 total cpu time spent up to now is 34.2 secs Computing kpt #: 156 total cpu time spent up to now is 34.3 secs Computing kpt #: 157 total cpu time spent up to now is 34.5 secs Computing kpt #: 158 total cpu time spent up to now is 34.7 secs Computing kpt #: 159 total cpu time spent up to now is 34.9 secs Computing kpt #: 160 total cpu time spent up to now is 35.1 secs Computing kpt #: 161 total cpu time spent up to now is 35.3 secs Computing kpt #: 162 total cpu time spent up to now is 35.5 secs Computing kpt #: 163 total cpu time spent up to now is 35.6 secs Computing kpt #: 164 total cpu time spent up to now is 35.8 secs Computing kpt #: 165 total cpu time spent up to now is 36.1 secs Computing kpt #: 166 total cpu time spent up to now is 36.3 secs Computing kpt #: 167 total cpu time spent up to now is 36.4 secs Computing kpt #: 168 total cpu time spent up to now is 36.6 secs Computing kpt #: 169 total cpu time spent up to now is 36.8 secs Computing kpt #: 170 total cpu time spent up to now is 37.0 secs Computing kpt #: 171 total cpu time spent up to now is 37.1 secs Computing kpt #: 172 total cpu time spent up to now is 37.3 secs Computing kpt #: 173 total cpu time spent up to now is 37.5 secs Computing kpt #: 174 total cpu time spent up to now is 37.6 secs Computing kpt #: 175 total cpu time spent up to now is 37.8 secs Computing kpt #: 176 total cpu time spent up to now is 38.0 secs Computing kpt #: 177 total cpu time spent up to now is 38.1 secs Computing kpt #: 178 total cpu time spent up to now is 38.3 secs Computing kpt #: 179 total cpu time spent up to now is 38.5 secs Computing kpt #: 180 total cpu time spent up to now is 38.6 secs Computing kpt #: 181 total cpu time spent up to now is 38.8 secs Computing kpt #: 182 total cpu time spent up to now is 39.0 secs Computing kpt #: 183 total cpu time spent up to now is 39.2 secs Computing kpt #: 184 total cpu time spent up 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Computing kpt #: 200 total cpu time spent up to now is 42.0 secs Computing kpt #: 201 total cpu time spent up to now is 42.2 secs Computing kpt #: 202 total cpu time spent up to now is 42.4 secs Computing kpt #: 203 total cpu time spent up to now is 42.6 secs Computing kpt #: 204 total cpu time spent up to now is 42.7 secs Computing kpt #: 205 total cpu time spent up to now is 42.9 secs Computing kpt #: 206 total cpu time spent up to now is 43.1 secs Computing kpt #: 207 total cpu time spent up to now is 43.3 secs Computing kpt #: 208 total cpu time spent up to now is 43.4 secs Computing kpt #: 209 total cpu time spent up to now is 43.6 secs Computing kpt #: 210 total cpu time spent up to now is 43.8 secs Computing kpt #: 211 total cpu time spent up to now is 44.0 secs Computing kpt #: 212 total cpu time spent up to now is 44.1 secs Computing kpt #: 213 total cpu time spent up to now is 44.3 secs Computing kpt #: 214 total cpu time spent up to now is 44.5 secs Computing kpt #: 215 total cpu time spent up to now is 44.7 secs Computing kpt #: 216 total cpu time spent up to now is 44.9 secs Computing kpt #: 217 total cpu time spent up to now is 45.1 secs Computing kpt #: 218 total cpu time spent up to now is 45.2 secs Computing kpt #: 219 total cpu time spent up to now is 45.4 secs Computing kpt #: 220 total cpu time spent up to now is 45.6 secs Computing kpt #: 221 total cpu time spent up to now is 45.8 secs Computing kpt #: 222 total cpu time spent up to now is 46.0 secs Computing kpt #: 223 total cpu time spent up to now is 46.1 secs Computing kpt #: 224 total cpu time spent up to now is 46.3 secs Computing kpt #: 225 total cpu time spent up to now is 46.5 secs Computing kpt #: 226 total cpu time spent up to now is 46.7 secs Computing kpt #: 227 total cpu time spent up to now is 46.9 secs Computing kpt #: 228 total cpu time spent up to now is 47.1 secs Computing kpt #: 229 total cpu time spent up to now is 47.2 secs Computing kpt #: 230 total cpu time spent up to now is 47.4 secs Computing kpt #: 231 total cpu time spent up to now is 47.6 secs Computing kpt #: 232 total cpu time spent up to now is 47.8 secs Computing kpt #: 233 total cpu time spent up to now is 48.0 secs Computing kpt #: 234 total cpu time spent up to now is 48.2 secs Computing kpt #: 235 total cpu time spent up to now is 48.4 secs Computing kpt #: 236 total cpu time spent up to now is 48.5 secs Computing kpt #: 237 total cpu time spent up to now is 48.7 secs Computing kpt #: 238 total cpu time spent up to now is 48.9 secs Computing kpt #: 239 total cpu time spent up to now is 49.1 secs Computing kpt #: 240 total cpu time spent up to now is 49.2 secs Computing kpt #: 241 total cpu time spent up to now is 49.4 secs Computing kpt #: 242 total cpu time spent up to now is 49.6 secs Computing kpt #: 243 total cpu time spent up to now is 49.7 secs Computing kpt #: 244 total cpu time spent up to now is 49.9 secs Computing kpt #: 245 total cpu time spent up to now is 50.1 secs Computing kpt #: 246 total cpu time spent up to now is 50.3 secs Computing kpt #: 247 total cpu time spent up to now is 50.4 secs Computing kpt #: 248 total cpu time spent up to now is 50.6 secs Computing kpt #: 249 total cpu time spent up to now is 50.8 secs Computing kpt #: 250 total cpu time spent up to now is 51.0 secs Computing kpt #: 251 total cpu time spent up to now is 51.1 secs Computing kpt #: 252 total cpu time spent up to now is 51.3 secs Computing kpt #: 253 total cpu time spent up to now is 51.5 secs Computing kpt #: 254 total cpu time spent up to now is 51.7 secs Computing kpt #: 255 total cpu time spent up to now is 51.9 secs Computing kpt #: 256 total cpu time spent up to now is 52.0 secs Computing kpt #: 257 total cpu time spent up to now is 52.2 secs Computing kpt #: 258 total cpu time spent up to now is 52.4 secs Computing kpt #: 259 total cpu time spent up to now is 52.6 secs Computing kpt #: 260 total cpu time spent up to now is 52.7 secs Computing kpt #: 261 total cpu time spent up to now is 52.9 secs Computing kpt #: 262 total cpu time spent up to now is 53.1 secs Computing kpt #: 263 total cpu time spent up to now is 53.3 secs Computing kpt #: 264 total cpu time spent up to now is 53.4 secs Computing kpt #: 265 total cpu time spent up to now is 53.6 secs Computing kpt #: 266 total cpu time spent up to now is 53.8 secs Computing kpt #: 267 total cpu time spent up to now is 54.0 secs Computing kpt #: 268 total cpu time spent up to now is 54.1 secs Computing kpt #: 269 total cpu time spent up to now is 54.3 secs Computing kpt #: 270 total cpu time spent up to now is 54.5 secs Computing kpt #: 271 total cpu time spent up to now is 54.7 secs Computing kpt #: 272 total cpu time spent up to now is 54.9 secs Computing kpt #: 273 total cpu time spent up to now is 55.0 secs Computing kpt #: 274 total cpu time spent up to now is 55.2 secs Computing kpt #: 275 total cpu time spent up to now is 55.4 secs Computing kpt #: 276 total cpu time spent up to now is 55.6 secs Computing kpt #: 277 total cpu time spent up to now is 55.7 secs Computing kpt #: 278 total cpu time spent up to now is 55.9 secs Computing kpt #: 279 total cpu time spent up to now is 56.1 secs Computing kpt #: 280 total cpu time spent up to now is 56.2 secs Computing kpt #: 281 total cpu time spent up to now is 56.4 secs Computing kpt #: 282 total cpu time spent up to now is 56.6 secs Computing kpt #: 283 total cpu time spent up to now is 56.8 secs Computing kpt #: 284 total cpu time spent up to now is 56.9 secs Computing kpt #: 285 total cpu time spent up to now is 57.1 secs Computing kpt #: 286 total cpu time spent up to now is 57.3 secs Computing kpt #: 287 total cpu time spent up to now is 57.5 secs Computing kpt #: 288 total cpu time spent up to now is 57.7 secs Computing kpt #: 289 total cpu time spent up to now is 57.8 secs Computing kpt #: 290 total cpu time spent up to now is 58.0 secs Computing kpt #: 291 total cpu time spent up to now is 58.2 secs Computing kpt #: 292 total cpu time spent up to now is 58.4 secs Computing kpt #: 293 total cpu time spent up to now is 58.5 secs Computing kpt #: 294 total cpu time spent up to now is 58.7 secs Computing kpt #: 295 total cpu time spent up to now is 58.9 secs Computing kpt #: 296 total cpu time spent up to now is 59.1 secs Computing kpt #: 297 total cpu time spent up to now is 59.3 secs Computing kpt #: 298 total cpu time spent up to now is 59.4 secs Computing kpt #: 299 total cpu time spent up to now is 59.6 secs Computing kpt #: 300 total cpu time spent up to now is 59.8 secs Computing kpt #: 301 total cpu time spent up to now is 60.0 secs Computing kpt #: 302 total cpu time spent up to now is 60.1 secs Computing kpt #: 303 total cpu time spent up to now is 60.3 secs Computing kpt #: 304 total cpu time spent up to now is 60.5 secs Computing kpt #: 305 total cpu time spent up to now is 60.7 secs Computing kpt #: 306 total cpu time spent up to now is 60.8 secs Computing kpt #: 307 total cpu time spent up to now is 61.0 secs Computing kpt #: 308 total cpu time spent up to now is 61.2 secs Computing kpt #: 309 total cpu time spent up to now is 61.4 secs Computing kpt #: 310 total cpu time spent up to now is 61.5 secs Computing kpt #: 311 total cpu time spent up to now is 61.7 secs Computing kpt #: 312 total cpu time spent up to now is 61.9 secs Computing kpt #: 313 total cpu time spent up to now is 62.1 secs Computing kpt #: 314 total cpu time spent up to now is 62.3 secs Computing kpt #: 315 total cpu time spent up to now is 62.5 secs Computing kpt #: 316 total cpu time spent up to now is 62.6 secs Computing kpt #: 317 total cpu time spent up to now is 62.8 secs Computing kpt #: 318 total cpu time spent up to now is 63.0 secs Computing kpt #: 319 total cpu time spent up to now is 63.2 secs Computing kpt #: 320 total cpu time spent up to now is 63.4 secs Computing kpt #: 321 total cpu time spent up to now is 63.6 secs Computing kpt #: 322 total cpu time spent up to now is 63.7 secs Computing kpt #: 323 total cpu time spent up to now is 63.9 secs Computing kpt #: 324 total cpu time spent up to now is 64.1 secs Computing kpt #: 325 total cpu time spent up to now is 64.3 secs Computing kpt #: 326 total cpu time spent up to now is 64.5 secs Computing kpt #: 327 total cpu time spent up to now is 64.7 secs Computing kpt #: 328 total cpu time spent up to now is 64.9 secs Computing kpt #: 329 total cpu time spent up to now is 65.0 secs Computing kpt #: 330 total cpu time spent up to now is 65.2 secs Computing kpt #: 331 total cpu time spent up to now is 65.4 secs Computing kpt #: 332 total cpu time spent up to now is 65.6 secs Computing kpt #: 333 total cpu time spent up to now is 65.8 secs Computing kpt #: 334 total cpu time spent up to now is 66.0 secs Computing kpt #: 335 total cpu time spent up to now is 66.1 secs Computing kpt #: 336 total cpu time spent up to now is 66.3 secs Computing kpt #: 337 total cpu time spent up to now is 66.5 secs Computing kpt #: 338 total cpu time spent up to now is 66.7 secs Computing kpt #: 339 total cpu time spent up to now is 66.8 secs Computing kpt #: 340 total cpu time spent up to now is 67.0 secs Computing kpt #: 341 total cpu time spent up to now is 67.2 secs Computing kpt #: 342 total cpu time spent up to now is 67.4 secs Computing kpt #: 343 total cpu time spent up to now is 67.5 secs Computing kpt #: 344 total cpu time spent up to now is 67.7 secs Computing kpt #: 345 total cpu time spent up to now is 67.9 secs Computing kpt #: 346 total cpu time spent up to now is 68.0 secs Computing kpt #: 347 total cpu time spent up to now is 68.2 secs Computing kpt #: 348 total cpu time spent up to now is 68.4 secs Computing kpt #: 349 total cpu time spent up to now is 68.6 secs Computing kpt #: 350 total cpu time spent up to now is 68.7 secs Computing kpt #: 351 total cpu time spent up to now is 68.9 secs Computing kpt #: 352 total cpu time spent up to now is 69.1 secs Computing kpt #: 353 total cpu time spent up to now is 69.2 secs Computing kpt #: 354 total cpu time spent up to now is 69.4 secs Computing kpt #: 355 total cpu time spent up to now is 69.6 secs Computing kpt #: 356 total cpu time spent up to now is 69.7 secs Computing kpt #: 357 total cpu time spent up to now is 69.9 secs Computing kpt #: 358 total cpu time spent up to now is 70.0 secs Computing kpt #: 359 total cpu time spent up to now is 70.2 secs Computing kpt #: 360 total cpu time spent up to now is 70.4 secs Computing kpt #: 361 total cpu time spent up to now is 70.5 secs Computing kpt #: 362 total cpu time spent up to now is 70.7 secs Computing kpt #: 363 total cpu time spent up to now is 70.8 secs Computing kpt #: 364 total cpu time spent up to now is 71.0 secs Computing kpt #: 365 total cpu time spent up to now is 71.2 secs Computing kpt #: 366 total cpu time spent up to now is 71.3 secs Computing kpt #: 367 total cpu time spent up to now is 71.5 secs Computing kpt #: 368 total cpu time spent up to now is 71.7 secs Computing kpt #: 369 total cpu time spent up to now is 71.8 secs Computing kpt #: 370 total cpu time spent up to now is 72.0 secs Computing kpt #: 371 total cpu time spent up to now is 72.1 secs Computing kpt #: 372 total cpu time spent up to now is 72.3 secs Computing kpt #: 373 total cpu time spent up to now is 72.5 secs Computing kpt #: 374 total cpu time spent up to now is 72.6 secs Computing kpt #: 375 total cpu time spent up to now is 72.8 secs Computing kpt #: 376 total cpu time spent up to now is 73.0 secs Computing kpt #: 377 total cpu time spent up to now is 73.1 secs Computing kpt #: 378 total cpu time spent up to now is 73.3 secs Computing kpt #: 379 total cpu time spent up to now is 73.5 secs Computing kpt #: 380 total cpu time spent up to now is 73.7 secs Computing kpt #: 381 total cpu time spent up to now is 73.8 secs Computing kpt #: 382 total cpu time spent up to now is 74.0 secs Computing kpt #: 383 total cpu time spent up to now is 74.2 secs Computing kpt #: 384 total cpu time spent up to now is 74.4 secs Computing kpt #: 385 total cpu time spent up to now is 74.5 secs Computing kpt #: 386 total cpu time spent up to now is 74.7 secs Computing kpt #: 387 total cpu time spent up to now is 74.9 secs Computing kpt #: 388 total cpu time spent up to now is 75.1 secs Computing kpt #: 389 total cpu time spent up to now is 75.2 secs Computing kpt #: 390 total cpu time spent up to now is 75.4 secs ethr = 3.57E-08, avg # of iterations = 12.6 total cpu time spent up to now is 75.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0665 -11.0665 -11.0343 -11.0343 -10.9835 -10.9835 -10.0729 -10.0729 -10.0580 -10.0580 -10.0230 -10.0230 -9.9977 -9.9977 -9.8941 -9.8941 -9.8146 -9.8146 -0.2126 -0.2126 7.4080 7.4080 8.7829 8.7829 9.1771 9.1771 13.9673 13.9673 16.8388 16.8388 17.5830 17.5830 17.8809 17.8809 k = 0.0000 0.0000 0.0137 ( 2019 PWs) bands (ev): -11.0835 -11.0835 -11.0665 -11.0665 -11.0343 -11.0343 -10.9835 -10.9835 -10.0728 -10.0728 -10.0580 -10.0580 -10.0230 -10.0230 -9.9976 -9.9976 -9.8941 -9.8941 -9.8147 -9.8147 -0.2111 -0.2111 7.3898 7.3898 8.7923 8.7923 9.1847 9.1847 13.9744 13.9744 16.8279 16.8279 17.5618 17.5618 17.8901 17.8901 k = 0.0000 0.0000 0.0275 ( 2019 PWs) bands (ev): -11.0833 -11.0833 -11.0665 -11.0665 -11.0344 -11.0344 -10.9835 -10.9835 -10.0727 -10.0727 -10.0582 -10.0582 -10.0231 -10.0231 -9.9972 -9.9972 -9.8942 -9.8942 -9.8150 -9.8150 -0.2066 -0.2066 7.3376 7.3376 8.8177 8.8177 9.2078 9.2078 13.9957 13.9957 16.7955 16.7955 17.5058 17.5058 17.9098 17.9098 k = 0.0000 0.0000 0.0412 ( 2023 PWs) bands (ev): -11.0830 -11.0830 -11.0665 -11.0665 -11.0344 -11.0344 -10.9835 -10.9835 -10.0725 -10.0725 -10.0585 -10.0585 -10.0232 -10.0232 -9.9965 -9.9965 -9.8944 -9.8944 -9.8155 -9.8155 -0.1992 -0.1992 7.2566 7.2566 8.8533 8.8533 9.2472 9.2472 14.0312 14.0312 16.7425 16.7425 17.4271 17.4271 17.9281 17.9281 k = 0.0000 0.0000 0.0550 ( 2033 PWs) bands (ev): -11.0825 -11.0825 -11.0665 -11.0665 -11.0345 -11.0345 -10.9835 -10.9835 -10.0722 -10.0722 -10.0588 -10.0588 -10.0233 -10.0233 -9.9956 -9.9956 -9.8947 -9.8947 -9.8162 -9.8162 -0.1887 -0.1887 7.1531 7.1531 8.8926 8.8926 9.3031 9.3031 14.0807 14.0807 16.6704 16.6704 17.3334 17.3334 17.9377 17.9377 k = 0.0000 0.0000 0.0687 ( 2037 PWs) bands (ev): -11.0819 -11.0819 -11.0664 -11.0664 -11.0347 -11.0347 -10.9835 -10.9835 -10.0719 -10.0719 -10.0591 -10.0591 -10.0236 -10.0236 -9.9944 -9.9944 -9.8951 -9.8951 -9.8171 -9.8171 -0.1753 -0.1753 7.0328 7.0328 8.9317 8.9317 9.3739 9.3739 14.1441 14.1441 16.5810 16.5810 17.2287 17.2287 17.9360 17.9360 k = 0.0000 0.0000 0.0824 ( 2041 PWs) bands (ev): -11.0812 -11.0812 -11.0663 -11.0663 -11.0348 -11.0348 -10.9834 -10.9834 -10.0715 -10.0715 -10.0595 -10.0595 -10.0238 -10.0238 -9.9930 -9.9930 -9.8956 -9.8956 -9.8182 -9.8182 -0.1589 -0.1589 6.9000 6.9000 8.9694 8.9694 9.4565 9.4565 14.2214 14.2214 16.4765 16.4765 17.1152 17.1152 17.9234 17.9234 k = 0.0000 0.0000 0.0962 ( 2043 PWs) bands (ev): -11.0804 -11.0804 -11.0663 -11.0663 -11.0350 -11.0350 -10.9834 -10.9834 -10.0712 -10.0712 -10.0598 -10.0598 -10.0241 -10.0241 -9.9914 -9.9914 -9.8962 -9.8962 -9.8195 -9.8195 -0.1394 -0.1394 6.7580 6.7580 9.0061 9.0061 9.5474 9.5474 14.3122 14.3122 16.3592 16.3592 16.9945 16.9945 17.9021 17.9021 k = 0.0000 0.0000 0.1099 ( 2039 PWs) bands (ev): -11.0794 -11.0794 -11.0662 -11.0662 -11.0352 -11.0352 -10.9834 -10.9834 -10.0709 -10.0709 -10.0600 -10.0600 -10.0245 -10.0245 -9.9896 -9.9896 -9.8968 -9.8968 -9.8210 -9.8210 -0.1170 -0.1170 6.6094 6.6094 9.0428 9.0428 9.6435 9.6435 14.4162 14.4162 16.2311 16.2311 16.8675 16.8675 17.8744 17.8744 k = 0.0000 0.0000 0.1237 ( 2039 PWs) bands (ev): -11.0783 -11.0783 -11.0661 -11.0661 -11.0354 -11.0354 -10.9835 -10.9835 -10.0706 -10.0706 -10.0600 -10.0600 -10.0249 -10.0249 -9.9877 -9.9877 -9.8976 -9.8976 -9.8226 -9.8226 -0.0916 -0.0916 6.4559 6.4559 9.0805 9.0805 9.7422 9.7422 14.5333 14.5333 16.0943 16.0943 16.7353 16.7353 17.8423 17.8423 k = 0.0000 0.0000 0.1374 ( 2029 PWs) bands (ev): -11.0772 -11.0772 -11.0660 -11.0660 -11.0356 -11.0356 -10.9835 -10.9835 -10.0705 -10.0705 -10.0598 -10.0598 -10.0254 -10.0254 -9.9856 -9.9856 -9.8984 -9.8984 -9.8244 -9.8244 -0.0633 -0.0633 6.2989 6.2989 9.1198 9.1198 9.8419 9.8419 14.6629 14.6629 15.9505 15.9505 16.5985 16.5985 17.8070 17.8070 k = 0.0000 0.0000 0.1512 ( 2025 PWs) bands (ev): -11.0759 -11.0759 -11.0659 -11.0659 -11.0359 -11.0359 -10.9835 -10.9835 -10.0706 -10.0706 -10.0594 -10.0594 -10.0258 -10.0258 -9.9834 -9.9834 -9.8994 -9.8994 -9.8264 -9.8264 -0.0319 -0.0319 6.1393 6.1393 9.1613 9.1613 9.9414 9.9414 14.8047 14.8047 15.8012 15.8012 16.4581 16.4581 17.7695 17.7695 k = 0.0000 0.0000 0.1649 ( 2029 PWs) bands (ev): -11.0745 -11.0745 -11.0657 -11.0657 -11.0362 -11.0362 -10.9836 -10.9836 -10.0707 -10.0707 -10.0587 -10.0587 -10.0263 -10.0263 -9.9811 -9.9811 -9.9004 -9.9004 -9.8285 -9.8285 0.0025 0.0025 5.9780 5.9780 9.2053 9.2053 10.0401 10.0401 14.9580 14.9580 15.6476 15.6476 16.3146 16.3146 17.7306 17.7306 k = 0.0000 0.0000 0.1786 ( 2033 PWs) bands (ev): -11.0730 -11.0730 -11.0656 -11.0656 -11.0364 -11.0364 -10.9837 -10.9837 -10.0710 -10.0710 -10.0578 -10.0578 -10.0268 -10.0268 -9.9786 -9.9786 -9.9016 -9.9016 -9.8307 -9.8307 0.0398 0.0398 5.8157 5.8157 9.2521 9.2521 10.1375 10.1375 15.1221 15.1221 15.4909 15.4909 16.1689 16.1689 17.6907 17.6907 k = 0.0000 0.0000 0.1924 ( 2033 PWs) bands (ev): -11.0715 -11.0715 -11.0654 -11.0654 -11.0367 -11.0367 -10.9838 -10.9838 -10.0714 -10.0714 -10.0567 -10.0567 -10.0274 -10.0274 -9.9761 -9.9761 -9.9028 -9.9028 -9.8331 -9.8331 0.0802 0.0802 5.6528 5.6528 9.3017 9.3017 10.2334 10.2334 15.2895 15.2895 15.3393 15.3393 16.0214 16.0214 17.6502 17.6502 k = 0.0000 0.0000 0.2061 ( 2033 PWs) bands (ev): -11.0699 -11.0699 -11.0652 -11.0652 -11.0370 -11.0370 -10.9840 -10.9840 -10.0718 -10.0718 -10.0554 -10.0554 -10.0279 -10.0279 -9.9736 -9.9736 -9.9042 -9.9042 -9.8356 -9.8356 0.1235 0.1235 5.4898 5.4898 9.3545 9.3545 10.3279 10.3279 15.1679 15.1679 15.4847 15.4847 15.8728 15.8728 17.6096 17.6096 k = 0.0000 0.0000 0.2199 ( 2037 PWs) bands (ev): -11.0683 -11.0683 -11.0650 -11.0650 -11.0372 -11.0372 -10.9842 -10.9842 -10.0722 -10.0722 -10.0541 -10.0541 -10.0283 -10.0283 -9.9709 -9.9709 -9.9057 -9.9057 -9.8381 -9.8381 0.1698 0.1698 5.3271 5.3271 9.4103 9.4103 10.4209 10.4209 15.0060 15.0060 15.6771 15.6771 15.7252 15.7252 17.5691 17.5691 k = 0.0000 0.0000 0.2336 ( 2037 PWs) bands (ev): -11.0667 -11.0667 -11.0647 -11.0647 -11.0375 -11.0375 -10.9845 -10.9845 -10.0726 -10.0726 -10.0528 -10.0528 -10.0287 -10.0287 -9.9683 -9.9683 -9.9073 -9.9073 -9.8408 -9.8408 0.2191 0.2191 5.1649 5.1649 9.4692 9.4692 10.5127 10.5127 14.8430 14.8430 15.5732 15.5732 15.8828 15.8828 17.5291 17.5291 k = 0.0000 0.0000 0.2473 ( 2029 PWs) bands (ev): -11.0654 -11.0654 -11.0640 -11.0640 -11.0376 -11.0376 -10.9848 -10.9848 -10.0730 -10.0730 -10.0514 -10.0514 -10.0289 -10.0289 -9.9656 -9.9656 -9.9090 -9.9090 -9.8435 -9.8435 0.2714 0.2714 5.0035 5.0035 9.5314 9.5314 10.6034 10.6034 14.6796 14.6796 15.4238 15.4238 16.0942 16.0942 17.4898 17.4898 k = 0.0000 0.0000 0.2611 ( 2029 PWs) bands (ev): -11.0648 -11.0648 -11.0627 -11.0627 -11.0378 -11.0378 -10.9851 -10.9851 -10.0733 -10.0733 -10.0502 -10.0502 -10.0290 -10.0290 -9.9629 -9.9629 -9.9108 -9.9108 -9.8463 -9.8463 0.3266 0.3266 4.8432 4.8432 9.5967 9.5967 10.6933 10.6933 14.5163 14.5163 15.2747 15.2747 16.3132 16.3132 17.4514 17.4514 k = 0.0000 0.0000 0.2748 ( 2033 PWs) bands (ev): -11.0644 -11.0644 -11.0611 -11.0611 -11.0378 -11.0378 -10.9855 -10.9855 -10.0736 -10.0736 -10.0491 -10.0491 -10.0288 -10.0288 -9.9601 -9.9601 -9.9128 -9.9128 -9.8491 -9.8491 0.3849 0.3849 4.6842 4.6842 9.6652 9.6652 10.7826 10.7826 14.3534 14.3534 15.1262 15.1262 16.5386 16.5386 17.4141 17.4141 k = 0.0000 0.0000 0.2886 ( 2029 PWs) bands (ev): -11.0641 -11.0641 -11.0595 -11.0595 -11.0377 -11.0377 -10.9860 -10.9860 -10.0738 -10.0738 -10.0483 -10.0483 -10.0283 -10.0283 -9.9574 -9.9574 -9.9148 -9.9148 -9.8520 -9.8520 0.4461 0.4461 4.5265 4.5265 9.7369 9.7369 10.8715 10.8715 14.1911 14.1911 14.9787 14.9787 16.7685 16.7685 17.3784 17.3784 k = 0.0000 0.0000 0.3023 ( 2033 PWs) bands (ev): -11.0638 -11.0638 -11.0580 -11.0580 -11.0375 -11.0375 -10.9866 -10.9866 -10.0739 -10.0739 -10.0478 -10.0478 -10.0274 -10.0274 -9.9548 -9.9548 -9.9169 -9.9169 -9.8549 -9.8549 0.5103 0.5103 4.3705 4.3705 9.8118 9.8118 10.9602 10.9602 14.0297 14.0297 14.8323 14.8323 16.9980 16.9980 17.3450 17.3450 k = 0.0000 0.0000 0.3161 ( 2029 PWs) bands (ev): -11.0635 -11.0635 -11.0567 -11.0567 -11.0371 -11.0371 -10.9872 -10.9872 -10.0739 -10.0739 -10.0476 -10.0476 -10.0260 -10.0260 -9.9522 -9.9522 -9.9191 -9.9191 -9.8578 -9.8578 0.5775 0.5775 4.2161 4.2161 9.8899 9.8899 11.0491 11.0491 13.8693 13.8693 14.6872 14.6872 17.2047 17.2047 17.3181 17.3181 k = 0.0000 0.0000 0.3298 ( 2029 PWs) bands (ev): -11.0632 -11.0632 -11.0555 -11.0555 -11.0364 -11.0364 -10.9879 -10.9879 -10.0739 -10.0739 -10.0477 -10.0477 -10.0243 -10.0243 -9.9497 -9.9497 -9.9213 -9.9213 -9.8607 -9.8607 0.6476 0.6476 4.0636 4.0636 9.9712 9.9712 11.1383 11.1383 13.7103 13.7103 14.5436 14.5436 17.2666 17.2666 17.3390 17.3390 k = 0.0000 0.0000 0.3435 ( 2033 PWs) bands (ev): -11.0628 -11.0628 -11.0546 -11.0546 -11.0355 -11.0355 -10.9887 -10.9887 -10.0737 -10.0737 -10.0481 -10.0481 -10.0222 -10.0222 -9.9474 -9.9474 -9.9234 -9.9234 -9.8636 -9.8636 0.7207 0.7207 3.9130 3.9130 10.0556 10.0556 11.2280 11.2280 13.5526 13.5526 14.4016 14.4016 17.2427 17.2427 17.3366 17.3366 k = 0.0000 0.0000 0.3573 ( 2041 PWs) bands (ev): -11.0625 -11.0625 -11.0539 -11.0539 -11.0343 -11.0343 -10.9896 -10.9896 -10.0735 -10.0735 -10.0488 -10.0488 -10.0199 -10.0199 -9.9455 -9.9455 -9.9253 -9.9253 -9.8665 -9.8665 0.7968 0.7968 3.7645 3.7645 10.1431 10.1431 11.3184 11.3184 13.3964 13.3964 14.2613 14.2613 17.2162 17.2162 17.3121 17.3121 k = 0.0000 0.0000 0.3710 ( 2039 PWs) bands (ev): -11.0621 -11.0621 -11.0535 -11.0535 -11.0329 -11.0329 -10.9905 -10.9905 -10.0732 -10.0732 -10.0496 -10.0496 -10.0173 -10.0173 -9.9442 -9.9442 -9.9267 -9.9267 -9.8694 -9.8694 0.8758 0.8758 3.6181 3.6181 10.2337 10.2337 11.4097 11.4097 13.2420 13.2420 14.1229 14.1229 17.1909 17.1909 17.2832 17.2832 k = 0.0000 0.0000 0.3848 ( 2043 PWs) bands (ev): -11.0617 -11.0617 -11.0533 -11.0533 -11.0313 -11.0313 -10.9916 -10.9916 -10.0728 -10.0728 -10.0505 -10.0505 -10.0145 -10.0144 -9.9439 -9.9439 -9.9272 -9.9272 -9.8723 -9.8723 0.9577 0.9577 3.4739 3.4739 10.3273 10.3273 11.5021 11.5021 13.0893 13.0893 13.9864 13.9864 17.1674 17.1674 17.2540 17.2540 k = 0.0000 0.0000 0.3985 ( 2047 PWs) bands (ev): -11.0613 -11.0613 -11.0532 -11.0532 -11.0295 -11.0295 -10.9927 -10.9927 -10.0723 -10.0723 -10.0515 -10.0515 -10.0115 -10.0115 -9.9447 -9.9447 -9.9267 -9.9267 -9.8751 -9.8751 1.0426 1.0426 3.3320 3.3320 10.4240 10.4240 11.5957 11.5957 12.9386 12.9386 13.8518 13.8518 17.1460 17.1460 17.2259 17.2259 k = 0.0000 0.0000 0.4122 ( 2047 PWs) bands (ev): -11.0609 -11.0609 -11.0533 -11.0533 -11.0275 -11.0275 -10.9939 -10.9939 -10.0718 -10.0718 -10.0527 -10.0527 -10.0084 -10.0084 -9.9466 -9.9466 -9.9253 -9.9253 -9.8779 -9.8779 1.1304 1.1304 3.1924 3.1924 10.5237 10.5237 11.6905 11.6905 12.7898 12.7898 13.7193 13.7193 17.1268 17.1268 17.1993 17.1993 k = 0.0000 0.0000 0.4260 ( 2053 PWs) bands (ev): -11.0605 -11.0605 -11.0535 -11.0535 -11.0255 -11.0255 -10.9952 -10.9952 -10.0711 -10.0711 -10.0538 -10.0538 -10.0051 -10.0051 -9.9491 -9.9491 -9.9234 -9.9234 -9.8807 -9.8807 1.2211 1.2211 3.0553 3.0553 10.6264 10.6264 11.7868 11.7868 12.6432 12.6432 13.5889 13.5889 17.1098 17.1098 17.1748 17.1748 k = 0.0000 0.0000 0.4397 ( 2057 PWs) bands (ev): -11.0601 -11.0601 -11.0538 -11.0538 -11.0234 -11.0234 -10.9966 -10.9966 -10.0704 -10.0704 -10.0550 -10.0550 -10.0018 -10.0018 -9.9520 -9.9520 -9.9211 -9.9211 -9.8835 -9.8835 1.3148 1.3148 2.9206 2.9206 10.7321 10.7321 11.8846 11.8846 12.4988 12.4988 13.4606 13.4606 17.0952 17.0952 17.1523 17.1523 k = 0.0000 0.0000 0.4535 ( 2059 PWs) bands (ev): -11.0596 -11.0596 -11.0541 -11.0541 -11.0213 -11.0213 -10.9981 -10.9981 -10.0696 -10.0696 -10.0562 -10.0562 -9.9984 -9.9984 -9.9552 -9.9552 -9.9187 -9.9187 -9.8863 -9.8863 1.4113 1.4113 2.7884 2.7884 10.8406 10.8406 11.9837 11.9837 12.3569 12.3569 13.3344 13.3344 17.0830 17.0830 17.1321 17.1321 k = 0.0000 0.0000 0.4672 ( 2060 PWs) bands (ev): -11.0592 -11.0592 -11.0545 -11.0545 -11.0191 -11.0191 -10.9997 -10.9997 -10.0687 -10.0687 -10.0575 -10.0575 -9.9949 -9.9948 -9.9586 -9.9586 -9.9161 -9.9161 -9.8891 -9.8891 1.5107 1.5107 2.6587 2.6587 10.9520 10.9520 12.0827 12.0827 12.2192 12.2192 13.2104 13.2104 17.0733 17.0733 17.1143 17.1143 k = 0.0000 0.0000 0.4809 ( 2060 PWs) bands (ev): -11.0587 -11.0587 -11.0549 -11.0549 -11.0170 -11.0170 -11.0013 -11.0013 -10.0678 -10.0678 -10.0587 -10.0587 -9.9913 -9.9913 -9.9621 -9.9621 -9.9135 -9.9135 -9.8918 -9.8918 1.6130 1.6130 2.5317 2.5317 11.0662 11.0662 12.0733 12.0733 12.1940 12.1940 13.0885 13.0885 17.0660 17.0660 17.0989 17.0989 k = 0.0000 0.0000 0.4947 ( 2060 PWs) bands (ev): -11.0582 -11.0582 -11.0553 -11.0553 -11.0149 -11.0149 -11.0031 -11.0031 -10.0668 -10.0668 -10.0600 -10.0600 -9.9877 -9.9877 -9.9656 -9.9656 -9.9108 -9.9108 -9.8946 -9.8946 1.7181 1.7181 2.4073 2.4073 11.1833 11.1833 11.9408 11.9408 12.2963 12.2963 12.9688 12.9688 17.0612 17.0612 17.0859 17.0859 k = 0.0000 0.0000 0.5084 ( 2064 PWs) bands (ev): -11.0577 -11.0577 -11.0558 -11.0558 -11.0128 -11.0128 -11.0049 -11.0049 -10.0658 -10.0658 -10.0612 -10.0612 -9.9840 -9.9840 -9.9693 -9.9693 -9.9081 -9.9081 -9.8973 -9.8973 1.8260 1.8260 2.2856 2.2856 11.3031 11.3031 11.8085 11.8085 12.4028 12.4028 12.8513 12.8513 17.0590 17.0590 17.0754 17.0754 k = 0.0000 0.0000 0.5222 ( 2070 PWs) bands (ev): -11.0573 -11.0573 -11.0563 -11.0563 -11.0107 -11.0107 -11.0068 -11.0068 -10.0647 -10.0647 -10.0624 -10.0624 -9.9803 -9.9803 -9.9729 -9.9729 -9.9054 -9.9054 -9.9000 -9.9000 1.9368 1.9368 2.1666 2.1666 11.4255 11.4255 11.6783 11.6783 12.5117 12.5117 12.7360 12.7360 17.0593 17.0593 17.0675 17.0675 k = 0.0000 0.0000 0.5359 ( 2070 PWs) bands (ev): -11.0568 -11.0568 -11.0568 -11.0568 -11.0087 -11.0087 -11.0087 -11.0087 -10.0636 -10.0636 -10.0636 -10.0636 -9.9766 -9.9766 -9.9766 -9.9766 -9.9027 -9.9027 -9.9027 -9.9027 2.0503 2.0503 2.0503 2.0503 11.5506 11.5506 11.5506 11.5506 12.6228 12.6228 12.6228 12.6228 17.0621 17.0621 17.0621 17.0621 k = 0.0000 0.0000 0.5359 ( 2070 PWs) bands (ev): -11.0568 -11.0568 -11.0568 -11.0568 -11.0087 -11.0087 -11.0087 -11.0087 -10.0636 -10.0636 -10.0636 -10.0636 -9.9766 -9.9766 -9.9766 -9.9766 -9.9027 -9.9027 -9.9027 -9.9027 2.0503 2.0503 2.0503 2.0503 11.5506 11.5506 11.5506 11.5506 12.6228 12.6228 12.6228 12.6228 17.0621 17.0621 17.0621 17.0621 k =-0.0128 0.0049 0.5359 ( 2066 PWs) bands (ev): -11.0574 -11.0574 -11.0562 -11.0562 -11.0093 -11.0092 -11.0081 -11.0081 -10.0644 -10.0644 -10.0627 -10.0627 -9.9774 -9.9774 -9.9759 -9.9759 -9.9029 -9.9029 -9.9026 -9.9026 2.0516 2.0516 2.0518 2.0518 11.4970 11.4970 11.5128 11.5128 12.6607 12.6607 12.6809 12.6809 17.0574 17.0574 17.0627 17.0627 k =-0.0256 0.0099 0.5359 ( 2064 PWs) bands (ev): -11.0581 -11.0581 -11.0557 -11.0557 -11.0097 -11.0097 -11.0074 -11.0074 -10.0653 -10.0653 -10.0618 -10.0618 -9.9782 -9.9781 -9.9751 -9.9751 -9.9031 -9.9031 -9.9026 -9.9026 2.0557 2.0557 2.0561 2.0561 11.3734 11.3734 11.3989 11.3989 12.7793 12.7793 12.8138 12.8138 17.0485 17.0485 17.0592 17.0592 k =-0.0385 0.0148 0.5359 ( 2064 PWs) bands (ev): -11.0588 -11.0588 -11.0553 -11.0553 -11.0100 -11.0100 -11.0066 -11.0066 -10.0661 -10.0660 -10.0608 -10.0608 -9.9789 -9.9789 -9.9744 -9.9744 -9.9033 -9.9033 -9.9027 -9.9027 2.0626 2.0627 2.0633 2.0633 11.2106 11.2106 11.2406 11.2406 12.9468 12.9468 12.9904 12.9904 17.0356 17.0356 17.0519 17.0519 k =-0.0513 0.0198 0.5359 ( 2060 PWs) bands (ev): -11.0595 -11.0595 -11.0549 -11.0549 -11.0102 -11.0102 -11.0057 -11.0057 -10.0668 -10.0668 -10.0599 -10.0599 -9.9796 -9.9796 -9.9736 -9.9736 -9.9037 -9.9036 -9.9028 -9.9028 2.0724 2.0724 2.0732 2.0732 11.0282 11.0282 11.0599 11.0599 13.1412 13.1412 13.1914 13.1914 17.0189 17.0189 17.0409 17.0409 k =-0.0641 0.0247 0.5359 ( 2056 PWs) bands (ev): -11.0603 -11.0603 -11.0547 -11.0547 -11.0103 -11.0103 -11.0048 -11.0048 -10.0675 -10.0675 -10.0589 -10.0589 -9.9804 -9.9804 -9.9728 -9.9728 -9.9040 -9.9040 -9.9029 -9.9029 2.0849 2.0849 2.0860 2.0860 10.8360 10.8360 10.8682 10.8682 13.3509 13.3509 13.4067 13.4067 16.9987 16.9987 17.0268 17.0268 k =-0.0769 0.0297 0.5359 ( 2052 PWs) bands (ev): -11.0611 -11.0611 -11.0545 -11.0545 -11.0103 -11.0103 -11.0039 -11.0039 -10.0682 -10.0682 -10.0580 -10.0580 -9.9811 -9.9811 -9.9721 -9.9721 -9.9044 -9.9044 -9.9032 -9.9032 2.1002 2.1002 2.1015 2.1015 10.6393 10.6393 10.6712 10.6712 13.5699 13.5699 13.6312 13.6312 16.9754 16.9754 17.0099 17.0099 k =-0.0897 0.0346 0.5359 ( 2056 PWs) bands (ev): -11.0619 -11.0619 -11.0545 -11.0545 -11.0102 -11.0102 -11.0029 -11.0029 -10.0688 -10.0688 -10.0570 -10.0570 -9.9817 -9.9817 -9.9713 -9.9713 -9.9049 -9.9049 -9.9035 -9.9035 2.1183 2.1183 2.1198 2.1198 10.4407 10.4407 10.4720 10.4720 13.7950 13.7950 13.8619 13.8619 16.9494 16.9494 16.9909 16.9909 k =-0.1026 0.0396 0.5359 ( 2052 PWs) bands (ev): -11.0627 -11.0627 -11.0545 -11.0545 -11.0099 -11.0099 -11.0019 -11.0019 -10.0694 -10.0694 -10.0561 -10.0561 -9.9824 -9.9824 -9.9706 -9.9706 -9.9054 -9.9054 -9.9039 -9.9039 2.1391 2.1391 2.1408 2.1408 10.2420 10.2420 10.2726 10.2726 14.0240 14.0240 14.0972 14.0972 16.9211 16.9211 16.9703 16.9703 k =-0.1154 0.0445 0.5359 ( 2054 PWs) bands (ev): -11.0635 -11.0635 -11.0546 -11.0546 -11.0095 -11.0095 -11.0009 -11.0008 -10.0700 -10.0700 -10.0552 -10.0552 -9.9829 -9.9829 -9.9698 -9.9698 -9.9060 -9.9060 -9.9043 -9.9043 2.1627 2.1627 2.1646 2.1646 10.0440 10.0440 10.0738 10.0738 14.2554 14.2554 14.3359 14.3359 16.8911 16.8911 16.9491 16.9491 k =-0.1282 0.0495 0.5359 ( 2058 PWs) bands (ev): -11.0643 -11.0643 -11.0548 -11.0548 -11.0090 -11.0090 -10.9998 -10.9998 -10.0705 -10.0705 -10.0543 -10.0543 -9.9835 -9.9835 -9.9691 -9.9691 -9.9066 -9.9066 -9.9048 -9.9048 2.1889 2.1889 2.1910 2.1910 9.8476 9.8476 9.8764 9.8764 14.4878 14.4878 14.5769 14.5769 16.8599 16.8599 16.9282 16.9282 k =-0.1410 0.0544 0.5359 ( 2056 PWs) bands (ev): -11.0650 -11.0650 -11.0551 -11.0551 -11.0084 -11.0084 -10.9987 -10.9987 -10.0709 -10.0709 -10.0535 -10.0535 -9.9839 -9.9839 -9.9683 -9.9683 -9.9072 -9.9072 -9.9054 -9.9054 2.2177 2.2177 2.2200 2.2200 9.6530 9.6530 9.6810 9.6810 14.7198 14.7198 14.8195 14.8195 16.8285 16.8285 16.9088 16.9088 k =-0.1538 0.0593 0.5359 ( 2054 PWs) bands (ev): -11.0658 -11.0658 -11.0555 -11.0555 -11.0077 -11.0077 -10.9977 -10.9977 -10.0713 -10.0713 -10.0527 -10.0527 -9.9843 -9.9843 -9.9676 -9.9675 -9.9079 -9.9079 -9.9061 -9.9061 2.2492 2.2492 2.2517 2.2517 9.4608 9.4608 9.4879 9.4879 14.9497 14.9497 15.0627 15.0627 16.7976 16.7976 16.8926 16.8926 k =-0.1667 0.0643 0.5359 ( 2048 PWs) bands (ev): -11.0665 -11.0665 -11.0559 -11.0559 -11.0070 -11.0069 -10.9966 -10.9966 -10.0717 -10.0717 -10.0520 -10.0520 -9.9846 -9.9846 -9.9668 -9.9668 -9.9086 -9.9086 -9.9068 -9.9068 2.2831 2.2831 2.2859 2.2859 9.2711 9.2711 9.2973 9.2973 15.1752 15.1752 15.3050 15.3050 16.7686 16.7686 16.8820 16.8820 k =-0.1795 0.0692 0.5359 ( 2054 PWs) bands (ev): -11.0672 -11.0672 -11.0564 -11.0564 -11.0061 -11.0061 -10.9956 -10.9956 -10.0720 -10.0720 -10.0514 -10.0514 -9.9849 -9.9849 -9.9660 -9.9660 -9.9093 -9.9093 -9.9076 -9.9076 2.3196 2.3196 2.3226 2.3226 9.0842 9.0842 9.1096 9.1096 15.3927 15.3927 15.5441 15.5441 16.7438 16.7438 16.8803 16.8803 k =-0.1923 0.0742 0.5359 ( 2058 PWs) bands (ev): -11.0679 -11.0679 -11.0570 -11.0570 -11.0052 -11.0052 -10.9945 -10.9945 -10.0722 -10.0722 -10.0508 -10.0508 -9.9850 -9.9850 -9.9652 -9.9652 -9.9101 -9.9101 -9.9085 -9.9085 2.3585 2.3585 2.3617 2.3617 8.9003 8.9003 8.9248 8.9248 15.5969 15.5969 15.7759 15.7759 16.7274 16.7274 16.8930 16.8930 k =-0.2051 0.0791 0.5359 ( 2056 PWs) bands (ev): -11.0685 -11.0685 -11.0576 -11.0576 -11.0042 -11.0042 -10.9935 -10.9935 -10.0724 -10.0724 -10.0504 -10.0504 -9.9849 -9.9849 -9.9644 -9.9644 -9.9109 -9.9109 -9.9094 -9.9094 2.3998 2.3998 2.4031 2.4031 8.7196 8.7196 8.7433 8.7433 15.7802 15.7802 15.9911 15.9911 16.7287 16.7287 16.9275 16.9275 k =-0.2179 0.0841 0.5359 ( 2056 PWs) bands (ev): -11.0691 -11.0691 -11.0582 -11.0582 -11.0032 -11.0032 -10.9925 -10.9925 -10.0726 -10.0726 -10.0500 -10.0500 -9.9848 -9.9848 -9.9636 -9.9636 -9.9118 -9.9118 -9.9104 -9.9104 2.4433 2.4433 2.4468 2.4468 8.5422 8.5422 8.5651 8.5651 15.9329 15.9329 16.1697 16.1697 16.7673 16.7673 16.9936 16.9936 k =-0.2308 0.0890 0.5359 ( 2060 PWs) bands (ev): -11.0697 -11.0697 -11.0588 -11.0588 -11.0021 -11.0021 -10.9916 -10.9916 -10.0727 -10.0727 -10.0498 -10.0498 -9.9845 -9.9845 -9.9628 -9.9628 -9.9127 -9.9127 -9.9115 -9.9115 2.4890 2.4890 2.4927 2.4927 8.3683 8.3683 8.3904 8.3904 16.0470 16.0470 16.2839 16.2839 16.8711 16.8711 17.0989 17.0989 k =-0.2436 0.0940 0.5359 ( 2056 PWs) bands (ev): -11.0702 -11.0702 -11.0595 -11.0595 -11.0010 -11.0010 -10.9907 -10.9906 -10.0727 -10.0727 -10.0497 -10.0497 -9.9841 -9.9841 -9.9620 -9.9620 -9.9136 -9.9136 -9.9127 -9.9127 2.5367 2.5367 2.5406 2.5406 8.1981 8.1981 8.2194 8.2194 16.1218 16.1218 16.3310 16.3310 17.0425 17.0425 17.2441 17.2441 k =-0.2564 0.0989 0.5359 ( 2052 PWs) bands (ev): -11.0707 -11.0707 -11.0602 -11.0602 -11.0000 -10.9999 -10.9898 -10.9898 -10.0727 -10.0727 -10.0497 -10.0497 -9.9835 -9.9835 -9.9611 -9.9611 -9.9145 -9.9145 -9.9139 -9.9139 2.5864 2.5864 2.5904 2.5904 8.0318 8.0318 8.0523 8.0523 16.1642 16.1642 16.3382 16.3382 17.2540 17.2540 17.4219 17.4219 k =-0.2692 0.1039 0.5359 ( 2056 PWs) bands (ev): -11.0711 -11.0711 -11.0609 -11.0609 -10.9988 -10.9988 -10.9889 -10.9889 -10.0727 -10.0727 -10.0498 -10.0498 -9.9828 -9.9828 -9.9603 -9.9603 -9.9154 -9.9154 -9.9151 -9.9151 2.6378 2.6378 2.6420 2.6420 7.8695 7.8695 7.8892 7.8892 16.1838 16.1838 16.3270 16.3270 17.4838 17.4838 17.6223 17.6223 k =-0.2821 0.1088 0.5359 ( 2048 PWs) bands (ev): -11.0715 -11.0715 -11.0617 -11.0616 -10.9977 -10.9977 -10.9881 -10.9881 -10.0726 -10.0726 -10.0501 -10.0501 -9.9820 -9.9820 -9.9595 -9.9595 -9.9164 -9.9164 -9.9164 -9.9164 2.6908 2.6908 2.6951 2.6951 7.7116 7.7116 7.7305 7.7305 16.1887 16.1887 16.3075 16.3075 17.7211 17.7211 17.8368 17.8368 k =-0.2949 0.1137 0.5359 ( 2044 PWs) bands (ev): -11.0719 -11.0719 -11.0624 -11.0624 -10.9966 -10.9966 -10.9874 -10.9874 -10.0724 -10.0724 -10.0504 -10.0504 -9.9810 -9.9810 -9.9586 -9.9586 -9.9178 -9.9178 -9.9174 -9.9174 2.7451 2.7451 2.7496 2.7496 7.5582 7.5582 7.5763 7.5763 16.1845 16.1846 16.2843 16.2843 17.9610 17.9610 18.0592 18.0592 k =-0.3077 0.1187 0.5359 ( 2038 PWs) bands (ev): -11.0722 -11.0722 -11.0631 -11.0631 -10.9955 -10.9955 -10.9867 -10.9867 -10.0722 -10.0722 -10.0509 -10.0509 -9.9799 -9.9799 -9.9578 -9.9578 -9.9192 -9.9192 -9.9184 -9.9184 2.8006 2.8006 2.8052 2.8052 7.4095 7.4095 7.4269 7.4269 16.1748 16.1748 16.2595 16.2595 18.2004 18.2004 18.2851 18.2851 k =-0.3205 0.1236 0.5359 ( 2038 PWs) bands (ev): -11.0725 -11.0725 -11.0638 -11.0638 -10.9945 -10.9945 -10.9860 -10.9860 -10.0720 -10.0720 -10.0514 -10.0514 -9.9787 -9.9787 -9.9569 -9.9569 -9.9206 -9.9206 -9.9195 -9.9194 2.8569 2.8569 2.8615 2.8615 7.2661 7.2661 7.2826 7.2826 16.1618 16.1619 16.2344 16.2344 18.4372 18.4372 18.5114 18.5114 k =-0.3333 0.1286 0.5359 ( 2038 PWs) bands (ev): -11.0727 -11.0727 -11.0645 -11.0645 -10.9934 -10.9934 -10.9854 -10.9854 -10.0717 -10.0717 -10.0520 -10.0520 -9.9773 -9.9773 -9.9561 -9.9561 -9.9220 -9.9220 -9.9205 -9.9205 2.9137 2.9137 2.9184 2.9184 7.1280 7.1280 7.1437 7.1437 16.1471 16.1471 16.2097 16.2097 18.6697 18.6697 18.7356 18.7356 k =-0.3462 0.1335 0.5359 ( 2038 PWs) bands (ev): -11.0729 -11.0729 -11.0652 -11.0652 -10.9924 -10.9924 -10.9849 -10.9849 -10.0714 -10.0713 -10.0527 -10.0527 -9.9759 -9.9759 -9.9553 -9.9553 -9.9235 -9.9235 -9.9215 -9.9215 2.9707 2.9707 2.9754 2.9754 6.9959 6.9959 7.0107 7.0107 16.1317 16.1317 16.1859 16.1859 18.8961 18.8961 18.9553 18.9553 k =-0.3590 0.1385 0.5359 ( 2034 PWs) bands (ev): -11.0730 -11.0730 -11.0659 -11.0659 -10.9914 -10.9914 -10.9845 -10.9845 -10.0710 -10.0710 -10.0535 -10.0535 -9.9744 -9.9744 -9.9545 -9.9545 -9.9250 -9.9250 -9.9226 -9.9226 3.0273 3.0273 3.0320 3.0320 6.8702 6.8702 6.8841 6.8841 16.1162 16.1162 16.1632 16.1632 19.1149 19.1149 19.1685 19.1685 k =-0.3718 0.1434 0.5359 ( 2034 PWs) bands (ev): -11.0731 -11.0731 -11.0665 -11.0665 -10.9905 -10.9905 -10.9841 -10.9841 -10.0705 -10.0705 -10.0543 -10.0543 -9.9728 -9.9728 -9.9538 -9.9538 -9.9264 -9.9264 -9.9236 -9.9236 3.0830 3.0830 3.0877 3.0877 6.7513 6.7513 6.7643 6.7643 16.1012 16.1012 16.1419 16.1419 19.3240 19.3240 19.3728 19.3728 k =-0.3846 0.1484 0.5359 ( 2034 PWs) bands (ev): -11.0732 -11.0732 -11.0672 -11.0672 -10.9896 -10.9896 -10.9837 -10.9837 -10.0700 -10.0700 -10.0552 -10.0552 -9.9711 -9.9711 -9.9532 -9.9532 -9.9278 -9.9278 -9.9247 -9.9247 3.1374 3.1374 3.1418 3.1419 6.6400 6.6400 6.6520 6.6520 16.0870 16.0870 16.1222 16.1222 19.5216 19.5216 19.5662 19.5662 k =-0.3974 0.1533 0.5359 ( 2034 PWs) bands (ev): -11.0732 -11.0732 -11.0678 -11.0678 -10.9887 -10.9887 -10.9835 -10.9835 -10.0695 -10.0695 -10.0561 -10.0561 -9.9694 -9.9694 -9.9526 -9.9526 -9.9291 -9.9291 -9.9257 -9.9257 3.1895 3.1896 3.1938 3.1938 6.5369 6.5369 6.5478 6.5478 16.0739 16.0739 16.1041 16.1041 19.7057 19.7057 19.7463 19.7463 k =-0.4103 0.1583 0.5359 ( 2036 PWs) bands (ev): -11.0731 -11.0731 -11.0684 -11.0684 -10.9879 -10.9879 -10.9833 -10.9833 -10.0689 -10.0689 -10.0570 -10.0570 -9.9676 -9.9676 -9.9522 -9.9522 -9.9303 -9.9303 -9.9268 -9.9268 3.2388 3.2388 3.2429 3.2429 6.4428 6.4428 6.4526 6.4526 16.0622 16.0622 16.0878 16.0878 19.8742 19.8742 19.9109 19.9109 k =-0.4231 0.1632 0.5359 ( 2042 PWs) bands (ev): -11.0730 -11.0730 -11.0689 -11.0689 -10.9871 -10.9871 -10.9832 -10.9832 -10.0682 -10.0682 -10.0580 -10.0580 -9.9659 -9.9659 -9.9520 -9.9520 -9.9314 -9.9314 -9.9278 -9.9278 3.2843 3.2843 3.2880 3.2880 6.3586 6.3586 6.3672 6.3672 16.0519 16.0519 16.0734 16.0734 20.0252 20.0252 20.0577 20.0577 k =-0.4359 0.1681 0.5359 ( 2042 PWs) bands (ev): -11.0729 -11.0729 -11.0695 -11.0695 -10.9865 -10.9864 -10.9831 -10.9831 -10.0676 -10.0676 -10.0589 -10.0589 -9.9641 -9.9641 -9.9520 -9.9520 -9.9322 -9.9322 -9.9288 -9.9288 3.3252 3.3252 3.3284 3.3284 6.2852 6.2852 6.2926 6.2926 16.0433 16.0433 16.0608 16.0608 20.1567 20.1567 20.1848 20.1848 k =-0.4487 0.1731 0.5359 ( 2038 PWs) bands (ev): -11.0727 -11.0727 -11.0700 -11.0700 -10.9858 -10.9858 -10.9831 -10.9831 -10.0668 -10.0668 -10.0599 -10.0599 -9.9624 -9.9624 -9.9523 -9.9523 -9.9328 -9.9328 -9.9297 -9.9297 3.3604 3.3604 3.3631 3.3632 6.2236 6.2236 6.2296 6.2296 16.0364 16.0364 16.0502 16.0502 20.2671 20.2671 20.2905 20.2905 k =-0.4615 0.1780 0.5359 ( 2038 PWs) bands (ev): -11.0725 -11.0725 -11.0704 -11.0704 -10.9852 -10.9852 -10.9832 -10.9832 -10.0661 -10.0661 -10.0608 -10.0608 -9.9606 -9.9606 -9.9528 -9.9528 -9.9332 -9.9332 -9.9306 -9.9306 3.3891 3.3891 3.3912 3.3912 6.1746 6.1746 6.1793 6.1793 16.0314 16.0314 16.0416 16.0416 20.3551 20.3551 20.3732 20.3732 k =-0.4744 0.1830 0.5359 ( 2042 PWs) bands (ev): -11.0723 -11.0723 -11.0709 -11.0709 -10.9847 -10.9847 -10.9834 -10.9834 -10.0653 -10.0653 -10.0618 -10.0618 -9.9590 -9.9590 -9.9536 -9.9536 -9.9332 -9.9332 -9.9314 -9.9314 3.4104 3.4104 3.4119 3.4119 6.1392 6.1392 6.1424 6.1424 16.0282 16.0282 16.0349 16.0349 20.4196 20.4196 20.4319 20.4319 k =-0.4872 0.1879 0.5359 ( 2042 PWs) bands (ev): -11.0720 -11.0720 -11.0713 -11.0713 -10.9843 -10.9843 -10.9836 -10.9836 -10.0644 -10.0644 -10.0627 -10.0627 -9.9574 -9.9574 -9.9547 -9.9547 -9.9330 -9.9330 -9.9321 -9.9321 3.4236 3.4236 3.4244 3.4244 6.1180 6.1180 6.1196 6.1196 16.0269 16.0269 16.0303 16.0303 20.4599 20.4599 20.4662 20.4662 k =-0.5000 0.1929 0.5359 ( 2038 PWs) bands (ev): -11.0716 -11.0716 -11.0716 -11.0716 -10.9839 -10.9839 -10.9839 -10.9839 -10.0636 -10.0636 -10.0636 -10.0636 -9.9560 -9.9560 -9.9560 -9.9560 -9.9327 -9.9327 -9.9326 -9.9326 3.4283 3.4283 3.4283 3.4283 6.1114 6.1114 6.1114 6.1114 16.0276 16.0276 16.0276 16.0276 20.4755 20.4755 20.4755 20.4755 k =-0.5000 0.1929 0.5359 ( 2038 PWs) bands (ev): -11.0716 -11.0716 -11.0716 -11.0716 -10.9839 -10.9839 -10.9839 -10.9839 -10.0636 -10.0636 -10.0636 -10.0636 -9.9560 -9.9560 -9.9560 -9.9560 -9.9327 -9.9327 -9.9326 -9.9326 3.4283 3.4283 3.4283 3.4283 6.1114 6.1114 6.1114 6.1114 16.0276 16.0276 16.0276 16.0276 20.4755 20.4755 20.4755 20.4755 k =-0.4907 0.1893 0.5260 ( 2040 PWs) bands (ev): -11.0720 -11.0720 -11.0713 -11.0713 -10.9843 -10.9843 -10.9836 -10.9836 -10.0645 -10.0644 -10.0627 -10.0627 -9.9574 -9.9574 -9.9547 -9.9547 -9.9330 -9.9330 -9.9321 -9.9321 3.4178 3.4178 3.4299 3.4299 6.1129 6.1129 6.1253 6.1253 16.0269 16.0269 16.0304 16.0304 20.4541 20.4541 20.4710 20.4710 k =-0.4815 0.1857 0.5161 ( 2040 PWs) bands (ev): -11.0723 -11.0723 -11.0708 -11.0708 -10.9848 -10.9848 -10.9834 -10.9834 -10.0653 -10.0653 -10.0617 -10.0617 -9.9591 -9.9591 -9.9535 -9.9535 -9.9332 -9.9332 -9.9314 -9.9314 3.3868 3.3868 3.4344 3.4344 6.1176 6.1176 6.1660 6.1660 16.0283 16.0283 16.0352 16.0352 20.3929 20.3929 20.4556 20.4556 k =-0.4722 0.1822 0.5061 ( 2036 PWs) bands (ev): -11.0725 -11.0725 -11.0704 -11.0704 -10.9853 -10.9853 -10.9832 -10.9831 -10.0661 -10.0661 -10.0608 -10.0608 -9.9610 -9.9610 -9.9525 -9.9525 -9.9332 -9.9332 -9.9306 -9.9306 3.3372 3.3372 3.4419 3.4419 6.1254 6.1254 6.2320 6.2320 16.0316 16.0316 16.0422 16.0422 20.2942 20.2942 20.4302 20.4302 k =-0.4630 0.1786 0.4962 ( 2038 PWs) bands (ev): -11.0728 -11.0728 -11.0699 -11.0699 -10.9860 -10.9860 -10.9830 -10.9830 -10.0669 -10.0669 -10.0598 -10.0598 -9.9631 -9.9630 -9.9515 -9.9515 -9.9329 -9.9329 -9.9297 -9.9297 3.2714 3.2714 3.4525 3.4525 6.1364 6.1364 6.3206 6.3206 16.0368 16.0368 16.0513 16.0513 20.1622 20.1622 20.3954 20.3954 k =-0.4537 0.1750 0.4863 ( 2036 PWs) bands (ev): -11.0730 -11.0730 -11.0694 -11.0693 -10.9868 -10.9868 -10.9829 -10.9828 -10.0676 -10.0676 -10.0589 -10.0588 -9.9653 -9.9653 -9.9506 -9.9506 -9.9324 -9.9324 -9.9288 -9.9288 3.1923 3.1923 3.4661 3.4661 6.1504 6.1504 6.4291 6.4291 16.0439 16.0439 16.0626 16.0626 20.0018 20.0018 20.3517 20.3517 k =-0.4444 0.1714 0.4764 ( 2036 PWs) bands (ev): -11.0731 -11.0731 -11.0688 -11.0688 -10.9877 -10.9877 -10.9827 -10.9827 -10.0683 -10.0683 -10.0579 -10.0579 -9.9678 -9.9678 -9.9497 -9.9497 -9.9316 -9.9316 -9.9280 -9.9280 3.1025 3.1025 3.4827 3.4827 6.1675 6.1675 6.5547 6.5547 16.0527 16.0527 16.0760 16.0760 19.8178 19.8178 20.2998 20.2998 k =-0.4352 0.1679 0.4664 ( 2032 PWs) bands (ev): -11.0733 -11.0733 -11.0681 -11.0681 -10.9887 -10.9887 -10.9826 -10.9826 -10.0689 -10.0689 -10.0569 -10.0569 -9.9704 -9.9704 -9.9489 -9.9489 -9.9306 -9.9306 -9.9271 -9.9271 3.0046 3.0046 3.5024 3.5024 6.1878 6.1878 6.6950 6.6950 16.0632 16.0632 16.0917 16.0917 19.6148 19.6148 20.2405 20.2405 k =-0.4259 0.1643 0.4565 ( 2030 PWs) bands (ev): -11.0734 -11.0734 -11.0675 -11.0675 -10.9899 -10.9898 -10.9826 -10.9826 -10.0694 -10.0694 -10.0560 -10.0560 -9.9732 -9.9732 -9.9480 -9.9480 -9.9295 -9.9294 -9.9264 -9.9264 2.9007 2.9007 3.5251 3.5251 6.2110 6.2110 6.8478 6.8478 16.0751 16.0751 16.1095 16.1095 19.3965 19.3965 20.1747 20.1747 k =-0.4167 0.1607 0.4466 ( 2034 PWs) bands (ev): -11.0735 -11.0735 -11.0668 -11.0668 -10.9911 -10.9911 -10.9825 -10.9825 -10.0699 -10.0699 -10.0550 -10.0550 -9.9760 -9.9760 -9.9470 -9.9470 -9.9281 -9.9281 -9.9257 -9.9257 2.7924 2.7924 3.5508 3.5508 6.2374 6.2374 7.0114 7.0114 16.0884 16.0884 16.1296 16.1296 19.1665 19.1665 20.1031 20.1031 k =-0.4074 0.1572 0.4367 ( 2034 PWs) bands (ev): -11.0736 -11.0735 -11.0660 -11.0660 -10.9925 -10.9925 -10.9824 -10.9824 -10.0704 -10.0704 -10.0541 -10.0541 -9.9790 -9.9790 -9.9461 -9.9461 -9.9265 -9.9265 -9.9252 -9.9252 2.6812 2.6812 3.5796 3.5796 6.2667 6.2667 7.1843 7.1843 16.1026 16.1026 16.1518 16.1518 18.9277 18.9277 20.0266 20.0266 k =-0.3981 0.1536 0.4267 ( 2034 PWs) bands (ev): -11.0736 -11.0736 -11.0652 -11.0652 -10.9940 -10.9940 -10.9823 -10.9823 -10.0707 -10.0707 -10.0532 -10.0532 -9.9821 -9.9821 -9.9451 -9.9451 -9.9250 -9.9250 -9.9244 -9.9244 2.5682 2.5682 3.6114 3.6114 6.2991 6.2991 7.3655 7.3655 16.1174 16.1174 16.1762 16.1762 18.6827 18.6827 19.9459 19.9459 k =-0.3889 0.1500 0.4168 ( 2038 PWs) bands (ev): -11.0736 -11.0736 -11.0644 -11.0644 -10.9956 -10.9956 -10.9823 -10.9823 -10.0711 -10.0710 -10.0523 -10.0523 -9.9853 -9.9853 -9.9441 -9.9441 -9.9245 -9.9245 -9.9226 -9.9226 2.4543 2.4543 3.6463 3.6463 6.3344 6.3344 7.5539 7.5539 16.1322 16.1322 16.2027 16.2027 18.4337 18.4337 19.8617 19.8617 k =-0.3796 0.1464 0.4069 ( 2046 PWs) bands (ev): -11.0736 -11.0736 -11.0636 -11.0636 -10.9974 -10.9974 -10.9822 -10.9822 -10.0713 -10.0713 -10.0515 -10.0515 -9.9885 -9.9885 -9.9430 -9.9430 -9.9243 -9.9243 -9.9205 -9.9205 2.3403 2.3403 3.6843 3.6843 6.3726 6.3726 7.7489 7.7489 16.1461 16.1461 16.2315 16.2315 18.1830 18.1830 19.7748 19.7748 k =-0.3704 0.1429 0.3970 ( 2048 PWs) bands (ev): -11.0736 -11.0736 -11.0627 -11.0627 -10.9992 -10.9992 -10.9822 -10.9822 -10.0715 -10.0715 -10.0506 -10.0506 -9.9918 -9.9918 -9.9420 -9.9420 -9.9242 -9.9242 -9.9182 -9.9182 2.2267 2.2267 3.7254 3.7254 6.4138 6.4138 7.9498 7.9498 16.1577 16.1577 16.2623 16.2623 17.9333 17.9333 19.6857 19.6857 k =-0.3611 0.1393 0.3870 ( 2044 PWs) bands (ev): -11.0736 -11.0736 -11.0618 -11.0618 -11.0012 -11.0012 -10.9822 -10.9822 -10.0717 -10.0717 -10.0498 -10.0498 -9.9950 -9.9950 -9.9409 -9.9409 -9.9243 -9.9243 -9.9157 -9.9157 2.1140 2.1140 3.7696 3.7696 6.4578 6.4578 8.1561 8.1561 16.1647 16.1647 16.2953 16.2953 17.6879 17.6879 19.5950 19.5950 k =-0.3519 0.1357 0.3771 ( 2044 PWs) bands (ev): -11.0736 -11.0736 -11.0609 -11.0609 -11.0032 -11.0032 -10.9821 -10.9821 -10.0718 -10.0718 -10.0490 -10.0490 -9.9984 -9.9983 -9.9399 -9.9399 -9.9244 -9.9244 -9.9131 -9.9131 2.0026 2.0026 3.8169 3.8169 6.5047 6.5047 8.3674 8.3674 16.1629 16.1629 16.3304 16.3304 17.4515 17.4515 19.5033 19.5033 k =-0.3426 0.1322 0.3672 ( 2048 PWs) bands (ev): -11.0736 -11.0735 -11.0599 -11.0599 -11.0054 -11.0054 -10.9821 -10.9821 -10.0718 -10.0718 -10.0482 -10.0482 -10.0017 -10.0017 -9.9390 -9.9390 -9.9246 -9.9246 -9.9103 -9.9103 1.8927 1.8927 3.8673 3.8673 6.5543 6.5543 8.5833 8.5833 16.1452 16.1452 16.3674 16.3674 17.2320 17.2320 19.4109 19.4109 k =-0.3333 0.1286 0.3573 ( 2052 PWs) bands (ev): -11.0735 -11.0735 -11.0590 -11.0590 -11.0076 -11.0076 -10.9821 -10.9821 -10.0718 -10.0718 -10.0475 -10.0475 -10.0050 -10.0050 -9.9381 -9.9381 -9.9248 -9.9248 -9.9075 -9.9075 1.7848 1.7848 3.9209 3.9209 6.6066 6.6066 8.8035 8.8035 16.0996 16.0996 16.4065 16.4065 17.0418 17.0418 19.3184 19.3184 k =-0.3241 0.1250 0.3474 ( 2052 PWs) bands (ev): -11.0734 -11.0734 -11.0580 -11.0580 -11.0099 -11.0099 -10.9820 -10.9820 -10.0718 -10.0718 -10.0467 -10.0467 -10.0082 -10.0082 -9.9374 -9.9374 -9.9250 -9.9250 -9.9044 -9.9044 1.6789 1.6789 3.9775 3.9775 6.6616 6.6616 9.0279 9.0279 16.0108 16.0108 16.4476 16.4476 16.8967 16.8967 19.2260 19.2260 k =-0.3148 0.1214 0.3374 ( 2048 PWs) bands (ev): -11.0734 -11.0734 -11.0570 -11.0570 -11.0123 -11.0123 -10.9820 -10.9820 -10.0717 -10.0717 -10.0460 -10.0460 -10.0115 -10.0115 -9.9370 -9.9370 -9.9250 -9.9250 -9.9013 -9.9013 1.5752 1.5752 4.0374 4.0374 6.7193 6.7193 9.2561 9.2561 15.8704 15.8704 16.4905 16.4905 16.8055 16.8055 19.1342 19.1343 k =-0.3056 0.1179 0.3275 ( 2040 PWs) bands (ev): -11.0733 -11.0733 -11.0561 -11.0561 -11.0147 -11.0147 -10.9820 -10.9820 -10.0716 -10.0716 -10.0453 -10.0453 -10.0146 -10.0146 -9.9369 -9.9369 -9.9248 -9.9248 -9.8981 -9.8981 1.4740 1.4740 4.1003 4.1003 6.7795 6.7795 9.4880 9.4880 15.6850 15.6850 16.5351 16.5351 16.7617 16.7617 19.0432 19.0432 k =-0.2963 0.1143 0.3176 ( 2044 PWs) bands (ev): -11.0732 -11.0732 -11.0551 -11.0551 -11.0172 -11.0172 -10.9820 -10.9820 -10.0714 -10.0714 -10.0447 -10.0447 -10.0177 -10.0177 -9.9372 -9.9372 -9.9244 -9.9244 -9.8948 -9.8948 1.3752 1.3752 4.1665 4.1665 6.8421 6.8421 9.7233 9.7233 15.4699 15.4699 16.5815 16.5815 16.7504 16.7504 18.8892 18.8892 k =-0.2870 0.1107 0.3077 ( 2036 PWs) bands (ev): -11.0731 -11.0731 -11.0542 -11.0542 -11.0197 -11.0197 -10.9820 -10.9820 -10.0713 -10.0713 -10.0441 -10.0441 -10.0207 -10.0207 -9.9378 -9.9378 -9.9237 -9.9237 -9.8914 -9.8914 1.2791 1.2791 4.2358 4.2358 6.9072 6.9072 9.9620 9.9620 15.2375 15.2375 16.6294 16.6294 16.7594 16.7594 18.6540 18.6540 k =-0.2778 0.1072 0.2977 ( 2036 PWs) bands (ev): -11.0731 -11.0731 -11.0533 -11.0533 -11.0222 -11.0222 -10.9821 -10.9821 -10.0711 -10.0711 -10.0435 -10.0435 -10.0236 -10.0236 -9.9389 -9.9389 -9.9228 -9.9228 -9.8879 -9.8879 1.1856 1.1856 4.3083 4.3083 6.9745 6.9745 10.2038 10.2038 14.9955 14.9955 16.6787 16.6787 16.7811 16.7811 18.4218 18.4218 k =-0.2685 0.1036 0.2878 ( 2036 PWs) bands (ev): -11.0730 -11.0730 -11.0524 -11.0524 -11.0247 -11.0247 -10.9821 -10.9821 -10.0709 -10.0709 -10.0431 -10.0431 -10.0263 -10.0263 -9.9402 -9.9402 -9.9217 -9.9217 -9.8844 -9.8844 1.0949 1.0949 4.3840 4.3840 7.0441 7.0441 10.4486 10.4486 14.7485 14.7485 16.7290 16.7290 16.8111 16.8111 18.1928 18.1928 k =-0.2593 0.1000 0.2779 ( 2036 PWs) bands (ev): -11.0729 -11.0729 -11.0516 -11.0516 -11.0272 -11.0272 -10.9821 -10.9821 -10.0706 -10.0706 -10.0428 -10.0428 -10.0287 -10.0287 -9.9418 -9.9418 -9.9205 -9.9205 -9.8808 -9.8808 1.0071 1.0071 4.4629 4.4629 7.1158 7.1158 10.6963 10.6963 14.4990 14.4990 16.7800 16.7800 16.8471 16.8471 17.9675 17.9675 k =-0.2500 0.0964 0.2680 ( 2044 PWs) bands (ev): -11.0728 -11.0728 -11.0508 -11.0508 -11.0296 -11.0296 -10.9822 -10.9822 -10.0704 -10.0704 -10.0428 -10.0428 -10.0308 -10.0308 -9.9435 -9.9435 -9.9192 -9.9192 -9.8773 -9.8773 0.9221 0.9221 4.5450 4.5450 7.1896 7.1896 10.9467 10.9467 14.2486 14.2486 16.8312 16.8312 16.8873 16.8873 17.7463 17.7463 k =-0.2407 0.0929 0.2580 ( 2044 PWs) bands (ev): -11.0727 -11.0727 -11.0502 -11.0502 -11.0319 -11.0319 -10.9822 -10.9822 -10.0701 -10.0701 -10.0432 -10.0432 -10.0323 -10.0323 -9.9455 -9.9455 -9.9179 -9.9179 -9.8737 -9.8737 0.8401 0.8401 4.6302 4.6302 7.2652 7.2652 11.1996 11.1996 13.9985 13.9985 16.8819 16.8819 16.9303 16.9303 17.5304 17.5304 k =-0.2315 0.0893 0.2481 ( 2044 PWs) bands (ev): -11.0727 -11.0727 -11.0498 -11.0498 -11.0341 -11.0341 -10.9823 -10.9823 -10.0698 -10.0698 -10.0442 -10.0442 -10.0332 -10.0332 -9.9476 -9.9476 -9.9165 -9.9165 -9.8701 -9.8701 0.7610 0.7610 4.7187 4.7187 7.3426 7.3426 11.4550 11.4550 13.7493 13.7493 16.9309 16.9309 16.9723 16.9724 17.3239 17.3239 k =-0.2222 0.0857 0.2382 ( 2044 PWs) bands (ev): -11.0726 -11.0726 -11.0496 -11.0496 -11.0360 -11.0360 -10.9823 -10.9823 -10.0695 -10.0695 -10.0456 -10.0456 -10.0336 -10.0336 -9.9498 -9.9498 -9.9151 -9.9151 -9.8665 -9.8665 0.6850 0.6850 4.8103 4.8103 7.4215 7.4215 11.7126 11.7126 13.5016 13.5016 16.9658 16.9658 16.9967 16.9967 17.1552 17.1552 k =-0.2130 0.0822 0.2283 ( 2038 PWs) bands (ev): -11.0726 -11.0726 -11.0497 -11.0497 -11.0375 -11.0375 -10.9824 -10.9824 -10.0692 -10.0691 -10.0474 -10.0474 -10.0335 -10.0335 -9.9521 -9.9521 -9.9137 -9.9137 -9.8630 -9.8630 0.6119 0.6119 4.9051 4.9051 7.5019 7.5019 11.9723 11.9723 13.2557 13.2557 16.8506 16.8506 17.0330 17.0330 17.1300 17.1300 k =-0.2037 0.0786 0.2183 ( 2034 PWs) bands (ev): -11.0725 -11.0725 -11.0503 -11.0503 -11.0386 -11.0386 -10.9825 -10.9825 -10.0688 -10.0688 -10.0493 -10.0493 -10.0331 -10.0331 -9.9545 -9.9545 -9.9123 -9.9123 -9.8595 -9.8595 0.5419 0.5419 5.0030 5.0030 7.5836 7.5836 12.2338 12.2338 13.0120 13.0120 16.6618 16.6618 17.0782 17.0782 17.1742 17.1742 k =-0.1944 0.0750 0.2084 ( 2026 PWs) bands (ev): -11.0725 -11.0725 -11.0514 -11.0514 -11.0392 -11.0392 -10.9825 -10.9825 -10.0684 -10.0684 -10.0512 -10.0512 -10.0326 -10.0326 -9.9570 -9.9570 -9.9109 -9.9109 -9.8560 -9.8560 0.4750 0.4750 5.1041 5.1041 7.6664 7.6664 12.4970 12.4970 12.7709 12.7709 16.4671 16.4671 17.1228 17.1228 17.2292 17.2292 k =-0.1852 0.0714 0.1985 ( 2026 PWs) bands (ev): -11.0726 -11.0726 -11.0528 -11.0528 -11.0393 -11.0393 -10.9826 -10.9826 -10.0680 -10.0680 -10.0531 -10.0531 -10.0320 -10.0320 -9.9596 -9.9596 -9.9096 -9.9096 -9.8526 -9.8526 0.4111 0.4111 5.2083 5.2083 7.7499 7.7499 12.5318 12.5318 12.7622 12.7622 16.2743 16.2743 17.1654 17.1654 17.2874 17.2874 k =-0.1759 0.0679 0.1886 ( 2026 PWs) bands (ev): -11.0727 -11.0727 -11.0544 -11.0544 -11.0392 -11.0392 -10.9827 -10.9827 -10.0676 -10.0676 -10.0550 -10.0550 -10.0314 -10.0314 -9.9622 -9.9622 -9.9083 -9.9082 -9.8493 -9.8493 0.3503 0.3503 5.3155 5.3155 7.8341 7.8341 12.2963 12.2963 13.0279 13.0279 16.0853 16.0853 17.2053 17.2053 17.3469 17.3469 k =-0.1667 0.0643 0.1786 ( 2024 PWs) bands (ev): -11.0728 -11.0728 -11.0561 -11.0561 -11.0390 -11.0390 -10.9828 -10.9828 -10.0672 -10.0672 -10.0568 -10.0568 -10.0307 -10.0307 -9.9648 -9.9648 -9.9070 -9.9070 -9.8461 -9.8461 0.2926 0.2926 5.4257 5.4257 7.9185 7.9185 12.0637 12.0637 13.2947 13.2947 15.9009 15.9009 17.2415 17.2415 17.4069 17.4069 k =-0.1574 0.0607 0.1687 ( 2024 PWs) bands (ev): -11.0730 -11.0730 -11.0578 -11.0578 -11.0386 -11.0386 -10.9828 -10.9828 -10.0668 -10.0668 -10.0585 -10.0585 -10.0300 -10.0300 -9.9674 -9.9674 -9.9057 -9.9057 -9.8430 -9.8430 0.2380 0.2380 5.5389 5.5389 8.0030 8.0030 11.8343 11.8343 13.5620 13.5620 15.7215 15.7215 17.2729 17.2729 17.4667 17.4667 k =-0.1481 0.0571 0.1588 ( 2028 PWs) bands (ev): -11.0733 -11.0733 -11.0595 -11.0595 -11.0382 -11.0382 -10.9829 -10.9829 -10.0663 -10.0663 -10.0600 -10.0600 -10.0293 -10.0293 -9.9701 -9.9701 -9.9045 -9.9045 -9.8400 -9.8400 0.1866 0.1866 5.6549 5.6549 8.0870 8.0870 11.6084 11.6084 13.8294 13.8294 15.5478 15.5478 17.2984 17.2984 17.5259 17.5259 k =-0.1389 0.0536 0.1489 ( 2028 PWs) bands (ev): -11.0737 -11.0737 -11.0609 -11.0609 -11.0378 -11.0378 -10.9830 -10.9830 -10.0659 -10.0659 -10.0614 -10.0614 -10.0286 -10.0286 -9.9727 -9.9727 -9.9033 -9.9033 -9.8372 -9.8371 0.1382 0.1382 5.7737 5.7737 8.1703 8.1703 11.3863 11.3863 14.0964 14.0964 15.3800 15.3800 17.3171 17.3171 17.5838 17.5838 k =-0.1296 0.0500 0.1389 ( 2028 PWs) bands (ev): -11.0743 -11.0743 -11.0622 -11.0622 -11.0373 -11.0373 -10.9830 -10.9830 -10.0657 -10.0657 -10.0625 -10.0625 -10.0279 -10.0279 -9.9753 -9.9753 -9.9022 -9.9022 -9.8344 -9.8344 0.0930 0.0930 5.8950 5.8950 8.2523 8.2523 11.1681 11.1681 14.3624 14.3624 15.2186 15.2186 17.3286 17.3286 17.6400 17.6400 k =-0.1204 0.0464 0.1290 ( 2026 PWs) bands (ev): -11.0750 -11.0750 -11.0633 -11.0633 -11.0369 -11.0369 -10.9831 -10.9831 -10.0659 -10.0659 -10.0631 -10.0631 -10.0273 -10.0273 -9.9779 -9.9779 -9.9011 -9.9011 -9.8318 -9.8318 0.0509 0.0509 6.0188 6.0188 8.3326 8.3326 10.9541 10.9541 14.6266 14.6266 15.0643 15.0643 17.3334 17.3334 17.6937 17.6937 k =-0.1111 0.0429 0.1191 ( 2030 PWs) bands (ev): -11.0758 -11.0758 -11.0641 -11.0641 -11.0366 -11.0366 -10.9832 -10.9832 -10.0665 -10.0665 -10.0630 -10.0630 -10.0267 -10.0267 -9.9803 -9.9803 -9.9001 -9.9001 -9.8294 -9.8294 0.0119 0.0119 6.1448 6.1448 8.4106 8.4106 10.7448 10.7448 14.8850 14.8850 14.9203 14.9203 17.3327 17.3327 17.7442 17.7442 k =-0.1019 0.0393 0.1092 ( 2030 PWs) bands (ev): -11.0767 -11.0767 -11.0648 -11.0648 -11.0362 -11.0362 -10.9832 -10.9832 -10.0674 -10.0674 -10.0626 -10.0626 -10.0261 -10.0261 -9.9827 -9.9827 -9.8992 -9.8992 -9.8271 -9.8271 -0.0240 -0.0240 6.2726 6.2726 8.4856 8.4856 10.5407 10.5407 14.7776 14.7776 15.1462 15.1462 17.3283 17.3283 17.7905 17.7905 k =-0.0926 0.0357 0.0992 ( 2032 PWs) bands (ev): -11.0776 -11.0776 -11.0653 -11.0653 -11.0359 -11.0359 -10.9833 -10.9833 -10.0683 -10.0683 -10.0621 -10.0621 -10.0256 -10.0256 -9.9850 -9.9850 -9.8983 -9.8983 -9.8250 -9.8250 -0.0568 -0.0568 6.4019 6.4019 8.5568 8.5568 10.3423 10.3423 14.6473 14.6473 15.3982 15.3982 17.3224 17.3224 17.8317 17.8317 k =-0.0833 0.0321 0.0893 ( 2040 PWs) bands (ev): -11.0786 -11.0786 -11.0657 -11.0657 -11.0356 -11.0356 -10.9833 -10.9833 -10.0692 -10.0692 -10.0615 -10.0615 -10.0251 -10.0251 -9.9872 -9.9872 -9.8975 -9.8975 -9.8231 -9.8231 -0.0864 -0.0864 6.5321 6.5321 8.6233 8.6233 10.1505 10.1505 14.5261 14.5261 15.6428 15.6428 17.3171 17.3171 17.8669 17.8669 k =-0.0741 0.0286 0.0794 ( 2044 PWs) bands (ev): -11.0795 -11.0795 -11.0659 -11.0659 -11.0353 -11.0353 -10.9833 -10.9833 -10.0700 -10.0700 -10.0609 -10.0609 -10.0246 -10.0246 -9.9892 -9.9892 -9.8968 -9.8968 -9.8213 -9.8213 -0.1129 -0.1129 6.6624 6.6624 8.6841 8.6841 9.9666 9.9666 14.4149 14.4149 15.8770 15.8770 17.3146 17.3146 17.8955 17.8955 k =-0.0648 0.0250 0.0695 ( 2040 PWs) bands (ev): -11.0804 -11.0804 -11.0661 -11.0661 -11.0351 -11.0351 -10.9834 -10.9834 -10.0706 -10.0706 -10.0604 -10.0604 -10.0242 -10.0242 -9.9911 -9.9911 -9.8962 -9.8962 -9.8198 -9.8198 -0.1363 -0.1363 6.7917 6.7917 8.7377 8.7377 9.7924 9.7924 14.3143 14.3143 16.0973 16.0973 17.3176 17.3176 17.9173 17.9174 k =-0.0556 0.0214 0.0595 ( 2033 PWs) bands (ev): -11.0812 -11.0812 -11.0663 -11.0663 -11.0348 -11.0348 -10.9834 -10.9834 -10.0712 -10.0712 -10.0598 -10.0598 -10.0239 -10.0239 -9.9928 -9.9928 -9.8956 -9.8956 -9.8184 -9.8184 -0.1565 -0.1565 6.9184 6.9184 8.7821 8.7821 9.6306 9.6306 14.2252 14.2252 16.2984 16.2984 17.3290 17.3290 17.9321 17.9321 k =-0.0463 0.0179 0.0496 ( 2035 PWs) bands (ev): -11.0819 -11.0819 -11.0664 -11.0664 -11.0347 -11.0347 -10.9834 -10.9834 -10.0717 -10.0717 -10.0593 -10.0593 -10.0236 -10.0236 -9.9942 -9.9942 -9.8952 -9.8952 -9.8173 -9.8173 -0.1737 -0.1737 7.0403 7.0403 8.8149 8.8149 9.4855 9.4855 14.1482 14.1482 16.4739 16.4739 17.3527 17.3527 17.9391 17.9392 k =-0.0370 0.0143 0.0397 ( 2031 PWs) bands (ev): -11.0825 -11.0825 -11.0664 -11.0664 -11.0345 -11.0345 -10.9835 -10.9835 -10.0722 -10.0722 -10.0589 -10.0589 -10.0234 -10.0234 -9.9955 -9.9955 -9.8948 -9.8948 -9.8163 -9.8163 -0.1877 -0.1877 7.1540 7.1540 8.8323 8.8323 9.3633 9.3633 14.0841 14.0841 16.6166 16.6166 17.3920 17.3920 17.9378 17.9378 k =-0.0278 0.0107 0.0298 ( 2027 PWs) bands (ev): -11.0830 -11.0830 -11.0665 -11.0665 -11.0344 -11.0344 -10.9835 -10.9835 -10.0725 -10.0725 -10.0585 -10.0585 -10.0232 -10.0232 -9.9964 -9.9964 -9.8945 -9.8945 -9.8156 -9.8156 -0.1986 -0.1986 7.2546 7.2546 8.8310 8.8310 9.2715 9.2715 14.0334 14.0334 16.7218 16.7218 17.4465 17.4465 17.9276 17.9276 k =-0.0185 0.0071 0.0198 ( 2027 PWs) bands (ev): -11.0833 -11.0833 -11.0665 -11.0665 -11.0344 -11.0344 -10.9835 -10.9835 -10.0727 -10.0727 -10.0582 -10.0582 -10.0231 -10.0231 -9.9971 -9.9971 -9.8942 -9.8942 -9.8150 -9.8150 -0.2064 -0.2064 7.3356 7.3356 8.8135 8.8135 9.2138 9.2138 13.9968 13.9968 16.7901 16.7901 17.5085 17.5085 17.9099 17.9099 k =-0.0093 0.0036 0.0099 ( 2027 PWs) bands (ev): -11.0835 -11.0835 -11.0665 -11.0665 -11.0343 -11.0343 -10.9835 -10.9835 -10.0728 -10.0728 -10.0581 -10.0581 -10.0230 -10.0230 -9.9976 -9.9976 -9.8941 -9.8941 -9.8147 -9.8147 -0.2111 -0.2111 7.3891 7.3891 8.7923 8.7923 9.1853 9.1853 13.9747 13.9747 16.8272 16.8272 17.5613 17.5613 17.8903 17.8903 k = 0.0000 0.0000 0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0665 -11.0665 -11.0343 -11.0343 -10.9835 -10.9835 -10.0729 -10.0729 -10.0580 -10.0580 -10.0230 -10.0230 -9.9977 -9.9977 -9.8941 -9.8941 -9.8146 -9.8146 -0.2126 -0.2126 7.4080 7.4080 8.7829 8.7829 9.1771 9.1771 13.9673 13.9673 16.8388 16.8388 17.5830 17.5830 17.8809 17.8809 k = 0.0000 0.0000 0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0665 -11.0665 -11.0343 -11.0343 -10.9835 -10.9835 -10.0729 -10.0729 -10.0580 -10.0580 -10.0230 -10.0230 -9.9977 -9.9977 -9.8941 -9.8941 -9.8146 -9.8146 -0.2126 -0.2126 7.4080 7.4080 8.7829 8.7829 9.1771 9.1771 13.9673 13.9673 16.8388 16.8388 17.5830 17.5830 17.8809 17.8809 k = 0.0050 0.0129-0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0665 -11.0665 -11.0342 -11.0342 -10.9835 -10.9835 -10.0729 -10.0729 -10.0579 -10.0579 -10.0229 -10.0229 -9.9978 -9.9978 -9.8941 -9.8941 -9.8146 -9.8146 -0.2111 -0.2111 7.4093 7.4093 8.7844 8.7844 9.1786 9.1786 13.9686 13.9686 16.8363 16.8363 17.5825 17.5825 17.8608 17.8608 k = 0.0100 0.0259-0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0662 -11.0662 -11.0340 -11.0340 -10.9835 -10.9835 -10.0729 -10.0729 -10.0577 -10.0577 -10.0226 -10.0226 -9.9978 -9.9978 -9.8942 -9.8942 -9.8148 -9.8148 -0.2065 -0.2065 7.4132 7.4132 8.7888 8.7888 9.1831 9.1831 13.9725 13.9725 16.8283 16.8283 17.5811 17.5811 17.8014 17.8014 k = 0.0150 0.0388-0.0000 ( 2023 PWs) bands (ev): -11.0836 -11.0836 -11.0659 -11.0659 -11.0337 -11.0337 -10.9835 -10.9835 -10.0730 -10.0730 -10.0574 -10.0574 -10.0222 -10.0222 -9.9980 -9.9980 -9.8944 -9.8944 -9.8150 -9.8150 -0.1988 -0.1988 7.4198 7.4198 8.7961 8.7961 9.1906 9.1906 13.9789 13.9789 16.8140 16.8140 17.5784 17.5784 17.7062 17.7062 k = 0.0200 0.0518-0.0000 ( 2023 PWs) bands (ev): -11.0835 -11.0835 -11.0654 -11.0654 -11.0332 -11.0332 -10.9836 -10.9836 -10.0730 -10.0730 -10.0569 -10.0569 -10.0215 -10.0215 -9.9982 -9.9982 -9.8946 -9.8946 -9.8154 -9.8154 -0.1881 -0.1881 7.4289 7.4289 8.8063 8.8063 9.2010 9.2010 13.9880 13.9880 16.7913 16.7913 17.5674 17.5674 17.5859 17.5859 k = 0.0250 0.0647-0.0000 ( 2023 PWs) bands (ev): -11.0835 -11.0835 -11.0647 -11.0647 -11.0326 -11.0326 -10.9836 -10.9836 -10.0731 -10.0731 -10.0563 -10.0563 -10.0207 -10.0207 -9.9984 -9.9984 -9.8949 -9.8949 -9.8158 -9.8158 -0.1742 -0.1742 7.4407 7.4407 8.8194 8.8194 9.2144 9.2144 13.9997 13.9997 16.7572 16.7572 17.4237 17.4237 17.5697 17.5697 k = 0.0299 0.0776-0.0000 ( 2039 PWs) bands (ev): -11.0835 -11.0835 -11.0639 -11.0639 -11.0318 -11.0318 -10.9837 -10.9837 -10.0732 -10.0732 -10.0556 -10.0556 -10.0198 -10.0198 -9.9987 -9.9987 -9.8953 -9.8953 -9.8163 -9.8163 -0.1574 -0.1574 7.4551 7.4551 8.8353 8.8353 9.2308 9.2308 14.0139 14.0139 16.7070 16.7070 17.2481 17.2481 17.5608 17.5608 k = 0.0349 0.0906-0.0000 ( 2031 PWs) bands (ev): -11.0834 -11.0834 -11.0630 -11.0630 -11.0310 -11.0310 -10.9838 -10.9838 -10.0733 -10.0733 -10.0548 -10.0548 -10.0186 -10.0186 -9.9991 -9.9991 -9.8957 -9.8957 -9.8169 -9.8169 -0.1374 -0.1374 7.4721 7.4721 8.8541 8.8541 9.2500 9.2500 14.0308 14.0308 16.6343 16.6343 17.0548 17.0548 17.4467 17.4467 k = 0.0399 0.1035-0.0000 ( 2031 PWs) bands (ev): -11.0834 -11.0834 -11.0620 -11.0620 -11.0300 -11.0300 -10.9839 -10.9839 -10.0735 -10.0735 -10.0538 -10.0538 -10.0173 -10.0173 -9.9995 -9.9995 -9.8962 -9.8962 -9.8176 -9.8176 -0.1144 -0.1144 7.4918 7.4918 8.8757 8.8757 9.2721 9.2721 14.0502 14.0502 16.5322 16.5322 16.8477 16.8477 17.3220 17.3220 k = 0.0449 0.1164-0.0000 ( 2031 PWs) bands (ev): -11.0833 -11.0833 -11.0608 -11.0608 -11.0289 -11.0289 -10.9840 -10.9840 -10.0736 -10.0736 -10.0528 -10.0528 -10.0158 -10.0158 -9.9999 -9.9999 -9.8967 -9.8967 -9.8183 -9.8183 -0.0882 -0.0882 7.5141 7.5141 8.9001 8.9001 9.2970 9.2970 14.0722 14.0722 16.3973 16.3973 16.6299 16.6299 17.2155 17.2155 k = 0.0499 0.1294-0.0000 ( 2031 PWs) bands (ev): -11.0832 -11.0832 -11.0595 -11.0595 -11.0278 -11.0278 -10.9841 -10.9841 -10.0738 -10.0738 -10.0516 -10.0516 -10.0141 -10.0141 -10.0003 -10.0003 -9.8973 -9.8973 -9.8192 -9.8192 -0.0591 -0.0591 7.5389 7.5389 8.9272 8.9272 9.3248 9.3248 14.0969 14.0969 16.2317 16.2317 16.4040 16.4040 17.1265 17.1265 k = 0.0549 0.1423-0.0000 ( 2031 PWs) bands (ev): -11.0831 -11.0831 -11.0582 -11.0582 -11.0266 -11.0266 -10.9842 -10.9842 -10.0739 -10.0739 -10.0503 -10.0503 -10.0123 -10.0123 -10.0008 -10.0008 -9.8980 -9.8980 -9.8201 -9.8201 -0.0268 -0.0268 7.5664 7.5664 8.9569 8.9569 9.3552 9.3552 14.1241 14.1241 16.0417 16.0417 16.1719 16.1719 17.0494 17.0494 k = 0.0599 0.1553-0.0000 ( 2031 PWs) bands (ev): -11.0830 -11.0830 -11.0567 -11.0567 -11.0253 -11.0253 -10.9844 -10.9844 -10.0741 -10.0741 -10.0490 -10.0490 -10.0103 -10.0103 -10.0012 -10.0012 -9.8986 -9.8986 -9.8210 -9.8210 0.0086 0.0086 7.5966 7.5966 8.9892 8.9892 9.3883 9.3883 14.1539 14.1539 15.8342 15.8342 15.9355 15.9355 16.9775 16.9775 k = 0.0649 0.1682-0.0000 ( 2023 PWs) bands (ev): -11.0828 -11.0828 -11.0552 -11.0552 -11.0240 -11.0240 -10.9845 -10.9845 -10.0743 -10.0743 -10.0476 -10.0476 -10.0081 -10.0081 -10.0017 -10.0017 -9.8994 -9.8994 -9.8221 -9.8221 0.0470 0.0470 7.6293 7.6293 9.0240 9.0240 9.4240 9.4240 14.1864 14.1864 15.6148 15.6148 15.6958 15.6958 16.9054 16.9054 k = 0.0699 0.1811-0.0000 ( 2023 PWs) bands (ev): -11.0827 -11.0827 -11.0536 -11.0536 -11.0226 -11.0226 -10.9847 -10.9847 -10.0745 -10.0745 -10.0462 -10.0462 -10.0058 -10.0058 -10.0021 -10.0021 -9.9001 -9.9001 -9.8231 -9.8231 0.0885 0.0885 7.6646 7.6646 9.0613 9.0613 9.4622 9.4622 14.2214 14.2214 15.3873 15.3873 15.4541 15.4541 16.8289 16.8289 k = 0.0749 0.1941-0.0000 ( 2019 PWs) bands (ev): -11.0825 -11.0825 -11.0519 -11.0519 -11.0212 -11.0212 -10.9848 -10.9848 -10.0747 -10.0747 -10.0448 -10.0448 -10.0034 -10.0034 -10.0024 -10.0024 -9.9009 -9.9009 -9.8243 -9.8243 0.1331 0.1331 7.7025 7.7025 9.1009 9.1009 9.5029 9.5029 14.2591 14.2591 15.1546 15.1546 15.2113 15.2113 16.7453 16.7453 k = 0.0799 0.2070-0.0000 ( 2019 PWs) bands (ev): -11.0823 -11.0823 -11.0502 -11.0502 -11.0198 -11.0198 -10.9850 -10.9850 -10.0749 -10.0749 -10.0433 -10.0433 -10.0028 -10.0028 -10.0006 -10.0006 -9.9017 -9.9017 -9.8255 -9.8255 0.1807 0.1807 7.7429 7.7429 9.1427 9.1427 9.5458 9.5458 14.2993 14.2993 14.9185 14.9185 14.9680 14.9680 16.6528 16.6528 k = 0.0848 0.2199-0.0000 ( 2019 PWs) bands (ev): -11.0820 -11.0820 -11.0485 -11.0485 -11.0183 -11.0183 -10.9852 -10.9852 -10.0751 -10.0751 -10.0419 -10.0419 -10.0029 -10.0029 -9.9978 -9.9978 -9.9025 -9.9025 -9.8267 -9.8267 0.2315 0.2315 7.7859 7.7859 9.1866 9.1866 9.5909 9.5909 14.3421 14.3421 14.6804 14.6804 14.7249 14.7249 16.5506 16.5506 k = 0.0898 0.2329-0.0000 ( 2023 PWs) bands (ev): -11.0818 -11.0818 -11.0467 -11.0467 -11.0169 -11.0169 -10.9854 -10.9854 -10.0753 -10.0753 -10.0406 -10.0406 -10.0030 -10.0030 -9.9949 -9.9949 -9.9033 -9.9033 -9.8279 -9.8279 0.2853 0.2853 7.8314 7.8314 9.2325 9.2325 9.6381 9.6381 14.3866 14.3866 14.4422 14.4422 14.4825 14.4825 16.4387 16.4387 k = 0.0948 0.2458-0.0000 ( 2023 PWs) bands (ev): -11.0815 -11.0815 -11.0449 -11.0449 -11.0155 -11.0155 -10.9856 -10.9856 -10.0755 -10.0755 -10.0394 -10.0394 -10.0029 -10.0029 -9.9919 -9.9919 -9.9041 -9.9041 -9.8292 -9.8292 0.3422 0.3422 7.8793 7.8793 9.2802 9.2802 9.6872 9.6872 14.2014 14.2014 14.2414 14.2414 14.4362 14.4362 16.3177 16.3177 k = 0.0998 0.2588-0.0000 ( 2027 PWs) bands (ev): -11.0812 -11.0812 -11.0431 -11.0431 -11.0141 -11.0141 -10.9858 -10.9858 -10.0757 -10.0757 -10.0384 -10.0384 -10.0026 -10.0026 -9.9888 -9.9888 -9.9049 -9.9049 -9.8304 -9.8304 0.4022 0.4022 7.9297 7.9297 9.3295 9.3295 9.7380 9.7380 13.9625 13.9625 14.0018 14.0018 14.4869 14.4869 16.1886 16.1886 k = 0.1048 0.2717-0.0000 ( 2027 PWs) bands (ev): -11.0809 -11.0809 -11.0414 -11.0414 -11.0128 -11.0128 -10.9860 -10.9860 -10.0759 -10.0759 -10.0375 -10.0375 -10.0020 -10.0020 -9.9855 -9.9855 -9.9057 -9.9057 -9.8317 -9.8317 0.4652 0.4652 7.9824 7.9824 9.3803 9.3803 9.7903 9.7903 13.7244 13.7244 13.7643 13.7643 14.5402 14.5402 16.0526 16.0526 k = 0.1098 0.2846-0.0000 ( 2047 PWs) bands (ev): -11.0805 -11.0805 -11.0396 -11.0396 -11.0115 -11.0115 -10.9862 -10.9862 -10.0761 -10.0761 -10.0369 -10.0369 -10.0012 -10.0012 -9.9822 -9.9822 -9.9064 -9.9064 -9.8330 -9.8330 0.5313 0.5313 8.0374 8.0374 9.4322 9.4322 9.8439 9.8439 13.4874 13.4874 13.5291 13.5291 14.5962 14.5962 15.9113 15.9113 k = 0.1148 0.2976-0.0000 ( 2047 PWs) bands (ev): -11.0801 -11.0801 -11.0378 -11.0378 -11.0102 -11.0102 -10.9864 -10.9864 -10.0763 -10.0763 -10.0364 -10.0364 -10.0002 -10.0002 -9.9789 -9.9789 -9.9071 -9.9071 -9.8343 -9.8343 0.6004 0.6004 8.0946 8.0946 9.4851 9.4851 9.8985 9.8985 13.2521 13.2521 13.2967 13.2967 14.6549 14.6549 15.7659 15.7659 k = 0.1198 0.3105-0.0000 ( 2047 PWs) bands (ev): -11.0797 -11.0797 -11.0361 -11.0361 -11.0090 -11.0090 -10.9866 -10.9866 -10.0765 -10.0765 -10.0362 -10.0362 -9.9990 -9.9990 -9.9755 -9.9755 -9.9077 -9.9077 -9.8356 -9.8356 0.6726 0.6726 8.1537 8.1537 9.5386 9.5386 9.9539 9.9539 13.0185 13.0185 13.0675 13.0675 14.7162 14.7162 15.6181 15.6181 k = 0.1248 0.3234-0.0000 ( 2043 PWs) bands (ev): -11.0793 -11.0793 -11.0344 -11.0344 -11.0078 -11.0078 -10.9868 -10.9868 -10.0767 -10.0767 -10.0362 -10.0362 -9.9975 -9.9975 -9.9721 -9.9721 -9.9082 -9.9082 -9.8368 -9.8368 0.7478 0.7478 8.2147 8.2147 9.5923 9.5923 10.0096 10.0096 12.7871 12.7871 12.8419 12.8419 14.7801 14.7801 15.4691 15.4691 k = 0.1298 0.3364-0.0000 ( 2043 PWs) bands (ev): -11.0789 -11.0789 -11.0328 -11.0328 -11.0067 -11.0067 -10.9870 -10.9870 -10.0768 -10.0768 -10.0364 -10.0364 -9.9958 -9.9958 -9.9688 -9.9688 -9.9087 -9.9087 -9.8381 -9.8381 0.8260 0.8260 8.2773 8.2773 9.6459 9.6459 10.0652 10.0652 12.5579 12.5579 12.6203 12.6203 14.8466 14.8466 15.3204 15.3204 k = 0.1348 0.3493-0.0000 ( 2043 PWs) bands (ev): -11.0784 -11.0784 -11.0312 -11.0312 -11.0057 -11.0057 -10.9872 -10.9872 -10.0769 -10.0769 -10.0367 -10.0367 -9.9940 -9.9940 -9.9656 -9.9656 -9.9089 -9.9089 -9.8393 -9.8393 0.9073 0.9073 8.3411 8.3411 9.6988 9.6988 10.1202 10.1202 12.3313 12.3313 12.4033 12.4033 14.9153 14.9153 15.1734 15.1734 k = 0.1397 0.3623-0.0000 ( 2043 PWs) bands (ev): -11.0780 -11.0780 -11.0297 -11.0297 -11.0047 -11.0047 -10.9874 -10.9874 -10.0770 -10.0770 -10.0372 -10.0372 -9.9921 -9.9921 -9.9624 -9.9624 -9.9091 -9.9091 -9.8405 -9.8405 0.9915 0.9915 8.4059 8.4059 9.7504 9.7504 10.1742 10.1742 12.1073 12.1073 12.1916 12.1916 14.9815 14.9815 15.0342 15.0342 k = 0.1447 0.3752-0.0000 ( 2043 PWs) bands (ev): -11.0775 -11.0775 -11.0283 -11.0283 -11.0038 -11.0038 -10.9876 -10.9876 -10.0771 -10.0771 -10.0378 -10.0378 -9.9901 -9.9901 -9.9594 -9.9594 -9.9090 -9.9090 -9.8416 -9.8416 1.0786 1.0786 8.4710 8.4710 9.8001 9.8001 10.2264 10.2264 11.8862 11.8862 11.9860 11.9860 14.8840 14.8840 15.0651 15.0651 k = 0.1497 0.3881-0.0000 ( 2035 PWs) bands (ev): -11.0770 -11.0770 -11.0269 -11.0269 -11.0029 -11.0029 -10.9877 -10.9877 -10.0772 -10.0772 -10.0384 -10.0384 -9.9881 -9.9881 -9.9567 -9.9567 -9.9087 -9.9087 -9.8427 -9.8427 1.1687 1.1687 8.5356 8.5356 9.8472 9.8472 10.2760 10.2760 11.6682 11.6682 11.7876 11.7876 14.7486 14.7486 14.9492 14.9492 k = 0.1547 0.4011-0.0000 ( 2043 PWs) bands (ev): -11.0764 -11.0764 -11.0257 -11.0257 -11.0022 -11.0022 -10.9879 -10.9879 -10.0772 -10.0772 -10.0391 -10.0391 -9.9861 -9.9861 -9.9542 -9.9542 -9.9082 -9.9082 -9.8437 -9.8437 1.2617 1.2617 8.5989 8.5989 9.8905 9.8905 10.3222 10.3222 11.4536 11.4536 11.5978 11.5978 14.6185 14.6185 14.8098 14.8098 k = 0.1597 0.4140-0.0000 ( 2043 PWs) bands (ev): -11.0759 -11.0759 -11.0245 -11.0245 -11.0014 -11.0014 -10.9880 -10.9880 -10.0772 -10.0772 -10.0398 -10.0398 -9.9842 -9.9842 -9.9519 -9.9519 -9.9074 -9.9074 -9.8447 -9.8447 1.3575 1.3575 8.6595 8.6595 9.9291 9.9291 10.3639 10.3639 11.2426 11.2426 11.4183 11.4183 14.4956 14.4956 14.6775 14.6775 k = 0.1647 0.4269-0.0000 ( 2043 PWs) bands (ev): -11.0753 -11.0753 -11.0234 -11.0234 -11.0008 -11.0008 -10.9881 -10.9881 -10.0772 -10.0772 -10.0406 -10.0406 -9.9823 -9.9823 -9.9500 -9.9500 -9.9063 -9.9063 -9.8457 -9.8457 1.4561 1.4561 8.7155 8.7155 9.9618 9.9618 10.3993 10.3993 11.0361 11.0361 11.2516 11.2516 14.3813 14.3813 14.5532 14.5532 k = 0.1697 0.4399-0.0000 ( 2043 PWs) bands (ev): -11.0748 -11.0748 -11.0224 -11.0224 -11.0002 -11.0002 -10.9881 -10.9881 -10.0771 -10.0771 -10.0413 -10.0413 -9.9805 -9.9805 -9.9485 -9.9485 -9.9050 -9.9050 -9.8466 -9.8466 1.5575 1.5575 8.7645 8.7645 9.9872 9.9872 10.4256 10.4256 10.8361 10.8361 11.1005 11.1005 14.2767 14.2767 14.4380 14.4380 k = 0.1747 0.4528-0.0000 ( 2043 PWs) bands (ev): -11.0742 -11.0742 -11.0215 -11.0215 -10.9997 -10.9997 -10.9881 -10.9881 -10.0770 -10.0770 -10.0420 -10.0420 -9.9788 -9.9788 -9.9472 -9.9472 -9.9034 -9.9034 -9.8474 -9.8474 1.6616 1.6616 8.8032 8.8032 10.0045 10.0045 10.4330 10.4330 10.6514 10.6514 10.9684 10.9684 14.1833 14.1833 14.3329 14.3329 k = 0.1797 0.4658-0.0000 ( 2051 PWs) bands (ev): -11.0736 -11.0736 -11.0206 -11.0206 -10.9992 -10.9992 -10.9881 -10.9881 -10.0768 -10.0768 -10.0427 -10.0427 -9.9772 -9.9772 -9.9463 -9.9463 -9.9016 -9.9016 -9.8482 -9.8482 1.7684 1.7684 8.8274 8.8274 10.0134 10.0134 10.3666 10.3666 10.5358 10.5358 10.8589 10.8589 14.1023 14.1023 14.2390 14.2390 k = 0.1847 0.4787-0.0000 ( 2043 PWs) bands (ev): -11.0730 -11.0730 -11.0199 -11.0199 -10.9988 -10.9988 -10.9881 -10.9881 -10.0766 -10.0766 -10.0433 -10.0433 -9.9758 -9.9758 -9.9456 -9.9456 -9.8996 -9.8996 -9.8489 -9.8489 1.8777 1.8777 8.8326 8.8326 10.0153 10.0153 10.2033 10.2033 10.5116 10.5116 10.7743 10.7743 14.0349 14.0349 14.1573 14.1573 k = 0.1897 0.4916-0.0000 ( 2043 PWs) bands (ev): -11.0724 -11.0724 -11.0193 -11.0193 -10.9984 -10.9984 -10.9880 -10.9880 -10.0763 -10.0763 -10.0439 -10.0439 -9.9745 -9.9745 -9.9452 -9.9452 -9.8975 -9.8975 -9.8496 -9.8496 1.9894 1.9894 8.8146 8.8146 10.0130 10.0130 10.0207 10.0207 10.5005 10.5005 10.7151 10.7151 13.9821 13.9821 14.0887 14.0887 k = 0.1946 0.5046-0.0000 ( 2031 PWs) bands (ev): -11.0717 -11.0717 -11.0188 -11.0188 -10.9981 -10.9981 -10.9879 -10.9879 -10.0760 -10.0760 -10.0445 -10.0445 -9.9734 -9.9734 -9.9450 -9.9450 -9.8954 -9.8954 -9.8502 -9.8502 2.1036 2.1036 8.7710 8.7710 9.8374 9.8374 10.0094 10.0094 10.4833 10.4833 10.6802 10.6802 13.9446 13.9446 14.0340 14.0340 k = 0.1996 0.5175-0.0000 ( 2031 PWs) bands (ev): -11.0711 -11.0711 -11.0184 -11.0184 -10.9978 -10.9978 -10.9877 -10.9877 -10.0757 -10.0757 -10.0449 -10.0449 -9.9726 -9.9726 -9.9449 -9.9449 -9.8932 -9.8932 -9.8508 -9.8508 2.2199 2.2199 8.7019 8.7019 9.6567 9.6567 10.0057 10.0057 10.4563 10.4563 10.6676 10.6676 13.9230 13.9230 13.9939 13.9939 k = 0.2046 0.5304-0.0000 ( 2023 PWs) bands (ev): -11.0704 -11.0704 -11.0181 -11.0181 -10.9975 -10.9975 -10.9875 -10.9875 -10.0752 -10.0752 -10.0453 -10.0453 -9.9719 -9.9719 -9.9450 -9.9450 -9.8911 -9.8911 -9.8514 -9.8514 2.3384 2.3384 8.6104 8.6104 9.4798 9.4798 9.9998 9.9998 10.4188 10.4188 10.6761 10.6761 13.9174 13.9174 13.9688 13.9688 k = 0.2096 0.5434-0.0000 ( 2023 PWs) bands (ev): -11.0698 -11.0698 -11.0178 -11.0178 -10.9973 -10.9973 -10.9873 -10.9873 -10.0748 -10.0748 -10.0456 -10.0456 -9.9714 -9.9714 -9.9452 -9.9452 -9.8892 -9.8892 -9.8519 -9.8519 2.4588 2.4588 8.5007 8.5007 9.3070 9.3070 9.9879 9.9879 10.3706 10.3706 10.7053 10.7053 13.9276 13.9276 13.9589 13.9589 k = 0.2146 0.5563-0.0000 ( 2031 PWs) bands (ev): -11.0691 -11.0691 -11.0177 -11.0177 -10.9971 -10.9971 -10.9870 -10.9870 -10.0742 -10.0742 -10.0458 -10.0458 -9.9711 -9.9711 -9.9454 -9.9454 -9.8873 -9.8873 -9.8525 -9.8525 2.5809 2.5809 8.3772 8.3772 9.1389 9.1389 9.9663 9.9663 10.3121 10.3121 10.7546 10.7546 13.9529 13.9529 13.9640 13.9640 k = 0.2196 0.5693-0.0000 ( 2043 PWs) bands (ev): -11.0685 -11.0685 -11.0176 -11.0176 -10.9969 -10.9969 -10.9867 -10.9867 -10.0736 -10.0736 -10.0459 -10.0459 -9.9710 -9.9710 -9.9457 -9.9457 -9.8856 -9.8856 -9.8531 -9.8531 2.7045 2.7045 8.2438 8.2438 8.9757 8.9757 9.9329 9.9329 10.2441 10.2441 10.8224 10.8224 13.9837 13.9837 13.9928 13.9928 k = 0.2246 0.5822-0.0000 ( 2043 PWs) bands (ev): -11.0678 -11.0678 -11.0176 -11.0176 -10.9967 -10.9967 -10.9864 -10.9864 -10.0730 -10.0730 -10.0459 -10.0459 -9.9710 -9.9710 -9.9461 -9.9461 -9.8841 -9.8841 -9.8537 -9.8537 2.8294 2.8294 8.1038 8.1038 8.8177 8.8177 9.8875 9.8875 10.1674 10.1674 10.9067 10.9067 14.0176 14.0176 14.0462 14.0462 k = 0.2296 0.5951-0.0000 ( 2043 PWs) bands (ev): -11.0672 -11.0672 -11.0177 -11.0177 -10.9965 -10.9965 -10.9860 -10.9860 -10.0723 -10.0723 -10.0458 -10.0458 -9.9713 -9.9713 -9.9465 -9.9465 -9.8828 -9.8828 -9.8543 -9.8543 2.9552 2.9552 7.9594 7.9594 8.6654 8.6654 9.8308 9.8308 10.0832 10.0832 11.0049 11.0049 14.0648 14.0648 14.1122 14.1122 k = 0.2346 0.6081-0.0000 ( 2035 PWs) bands (ev): -11.0665 -11.0665 -11.0179 -11.0179 -10.9964 -10.9964 -10.9856 -10.9856 -10.0715 -10.0715 -10.0456 -10.0456 -9.9718 -9.9718 -9.9469 -9.9469 -9.8817 -9.8817 -9.8549 -9.8549 3.0816 3.0816 7.8125 7.8125 8.5192 8.5192 9.7643 9.7643 9.9924 9.9924 11.1148 11.1148 14.1246 14.1246 14.1896 14.1896 k = 0.2396 0.6210-0.0000 ( 2035 PWs) bands (ev): -11.0658 -11.0658 -11.0181 -11.0181 -10.9962 -10.9962 -10.9853 -10.9853 -10.0707 -10.0707 -10.0452 -10.0452 -9.9724 -9.9724 -9.9473 -9.9473 -9.8809 -9.8809 -9.8557 -9.8557 3.2080 3.2080 7.6642 7.6642 8.3794 8.3794 9.6892 9.6892 9.8961 9.8961 11.2347 11.2347 14.1959 14.1959 14.2774 14.2774 k = 0.2446 0.6340-0.0000 ( 2035 PWs) bands (ev): -11.0652 -11.0652 -11.0184 -11.0184 -10.9961 -10.9961 -10.9848 -10.9848 -10.0699 -10.0699 -10.0448 -10.0448 -9.9732 -9.9732 -9.9477 -9.9477 -9.8804 -9.8804 -9.8565 -9.8565 3.3341 3.3341 7.5158 7.5158 8.2467 8.2467 9.6071 9.6071 9.7953 9.7953 11.3630 11.3630 14.2780 14.2780 14.3748 14.3748 k = 0.2495 0.6469-0.0000 ( 2043 PWs) bands (ev): -11.0645 -11.0645 -11.0188 -11.0188 -10.9959 -10.9959 -10.9844 -10.9844 -10.0689 -10.0689 -10.0442 -10.0442 -9.9742 -9.9742 -9.9481 -9.9481 -9.8801 -9.8801 -9.8573 -9.8573 3.4591 3.4591 7.3678 7.3678 8.1216 8.1216 9.5190 9.5190 9.6908 9.6908 11.4988 11.4988 14.3699 14.3699 14.4808 14.4808 k = 0.2545 0.6598-0.0000 ( 2051 PWs) bands (ev): -11.0639 -11.0639 -11.0192 -11.0192 -10.9958 -10.9958 -10.9840 -10.9840 -10.0680 -10.0680 -10.0435 -10.0435 -9.9753 -9.9753 -9.9485 -9.9485 -9.8800 -9.8800 -9.8583 -9.8583 3.5824 3.5824 7.2208 7.2208 8.0049 8.0049 9.4261 9.4261 9.5834 9.5834 11.6411 11.6411 14.4709 14.4709 14.5946 14.5946 k = 0.2595 0.6728-0.0000 ( 2043 PWs) bands (ev): -11.0633 -11.0633 -11.0197 -11.0197 -10.9956 -10.9956 -10.9835 -10.9835 -10.0669 -10.0669 -10.0427 -10.0427 -9.9765 -9.9765 -9.9490 -9.9490 -9.8802 -9.8802 -9.8593 -9.8593 3.7030 3.7030 7.0753 7.0753 7.8974 7.8974 9.3294 9.3294 9.4738 9.4738 11.7894 11.7894 14.5800 14.5800 14.7156 14.7156 k = 0.2645 0.6857-0.0000 ( 2039 PWs) bands (ev): -11.0627 -11.0627 -11.0202 -11.0202 -10.9955 -10.9955 -10.9831 -10.9831 -10.0659 -10.0659 -10.0418 -10.0418 -9.9779 -9.9779 -9.9493 -9.9493 -9.8807 -9.8807 -9.8605 -9.8605 3.8200 3.8200 6.9317 6.9317 7.8003 7.8003 9.2296 9.2296 9.3628 9.3628 11.9431 11.9431 14.6968 14.6968 14.8430 14.8430 k = 0.2695 0.6986-0.0000 ( 2039 PWs) bands (ev): -11.0620 -11.0620 -11.0207 -11.0207 -10.9953 -10.9953 -10.9826 -10.9826 -10.0648 -10.0648 -10.0407 -10.0407 -9.9795 -9.9795 -9.9497 -9.9497 -9.8815 -9.8815 -9.8617 -9.8617 3.9321 3.9321 6.7901 6.7901 7.7145 7.7145 9.1275 9.1275 9.2507 9.2507 12.1019 12.1019 14.8204 14.8204 14.9764 14.9764 k = 0.2745 0.7116-0.0000 ( 2039 PWs) bands (ev): -11.0615 -11.0615 -11.0214 -11.0214 -10.9951 -10.9951 -10.9822 -10.9822 -10.0636 -10.0636 -10.0395 -10.0395 -9.9811 -9.9811 -9.9501 -9.9501 -9.8825 -9.8825 -9.8631 -9.8631 4.0381 4.0381 6.6507 6.6507 7.6414 7.6414 9.0238 9.0238 9.1382 9.1382 12.2655 12.2655 14.9503 14.9503 15.1152 15.1152 k = 0.2795 0.7245-0.0000 ( 2039 PWs) bands (ev): -11.0609 -11.0609 -11.0220 -11.0220 -10.9949 -10.9949 -10.9817 -10.9817 -10.0625 -10.0625 -10.0382 -10.0382 -9.9828 -9.9828 -9.9504 -9.9504 -9.8838 -9.8838 -9.8646 -9.8646 4.1365 4.1365 6.5139 6.5139 7.5825 7.5825 8.9189 8.9189 9.0256 9.0256 12.4335 12.4335 15.0861 15.0861 15.2591 15.2591 k = 0.2845 0.7375-0.0000 ( 2035 PWs) bands (ev): -11.0603 -11.0603 -11.0228 -11.0228 -10.9947 -10.9947 -10.9813 -10.9813 -10.0613 -10.0613 -10.0368 -10.0368 -9.9847 -9.9847 -9.9507 -9.9507 -9.8853 -9.8853 -9.8662 -9.8662 4.2258 4.2258 6.3796 6.3796 7.5391 7.5391 8.8134 8.8134 8.9133 8.9133 12.6058 12.6058 15.2272 15.2272 15.4076 15.4076 k = 0.2895 0.7504-0.0000 ( 2031 PWs) bands (ev): -11.0598 -11.0598 -11.0235 -11.0235 -10.9945 -10.9945 -10.9809 -10.9809 -10.0601 -10.0601 -10.0353 -10.0353 -9.9866 -9.9866 -9.9510 -9.9510 -9.8870 -9.8870 -9.8679 -9.8679 4.3045 4.3045 6.2480 6.2480 7.5127 7.5127 8.7076 8.7076 8.8018 8.8018 12.7822 12.7822 15.3733 15.3733 15.5605 15.5605 k = 0.2945 0.7633-0.0000 ( 2031 PWs) bands (ev): -11.0593 -11.0593 -11.0244 -11.0244 -10.9943 -10.9943 -10.9804 -10.9804 -10.0589 -10.0589 -10.0337 -10.0337 -9.9887 -9.9887 -9.9512 -9.9512 -9.8890 -9.8890 -9.8697 -9.8697 4.3712 4.3712 6.1192 6.1192 7.5045 7.5045 8.6019 8.6019 8.6914 8.6914 12.9625 12.9625 15.5241 15.5241 15.7174 15.7174 k = 0.2994 0.7763-0.0000 ( 2035 PWs) bands (ev): -11.0588 -11.0588 -11.0252 -11.0252 -10.9941 -10.9941 -10.9800 -10.9800 -10.0577 -10.0577 -10.0319 -10.0319 -9.9908 -9.9908 -9.9514 -9.9514 -9.8911 -9.8911 -9.8716 -9.8716 4.4249 4.4249 5.9932 5.9932 7.5154 7.5154 8.4967 8.4967 8.5825 8.5825 13.1466 13.1466 15.6790 15.6790 15.8780 15.8780 k = 0.3044 0.7892-0.0000 ( 2035 PWs) bands (ev): -11.0584 -11.0584 -11.0261 -11.0261 -10.9939 -10.9939 -10.9796 -10.9796 -10.0565 -10.0565 -10.0301 -10.0301 -9.9929 -9.9929 -9.9516 -9.9516 -9.8934 -9.8934 -9.8736 -9.8736 4.4650 4.4650 5.8702 5.8702 7.5457 7.5457 8.3922 8.3922 8.4756 8.4756 13.3342 13.3342 15.8379 15.8379 16.0421 16.0421 k = 0.3094 0.8021-0.0000 ( 2026 PWs) bands (ev): -11.0580 -11.0580 -11.0271 -11.0271 -10.9937 -10.9937 -10.9793 -10.9793 -10.0553 -10.0553 -10.0282 -10.0282 -9.9951 -9.9951 -9.9518 -9.9518 -9.8959 -9.8959 -9.8756 -9.8756 4.4913 4.4913 5.7501 5.7501 7.5948 7.5948 8.2887 8.2887 8.3715 8.3715 13.5254 13.5254 16.0005 16.0005 16.2094 16.2094 k = 0.3144 0.8151-0.0000 ( 2038 PWs) bands (ev): -11.0576 -11.0576 -11.0281 -11.0281 -10.9935 -10.9935 -10.9789 -10.9789 -10.0542 -10.0542 -10.0262 -10.0262 -9.9973 -9.9973 -9.9519 -9.9519 -9.8985 -9.8985 -9.8778 -9.8778 4.5045 4.5045 5.6330 5.6330 7.6608 7.6608 8.1863 8.1863 8.2718 8.2718 13.7198 13.7198 16.1665 16.1665 16.3798 16.3798 k = 0.3194 0.8280-0.0000 ( 2038 PWs) bands (ev): -11.0573 -11.0573 -11.0292 -11.0292 -10.9933 -10.9933 -10.9786 -10.9786 -10.0531 -10.0531 -10.0241 -10.0241 -9.9996 -9.9996 -9.9520 -9.9520 -9.9012 -9.9012 -9.8800 -9.8800 4.5054 4.5054 5.5190 5.5190 7.7388 7.7388 8.0853 8.0853 8.1806 8.1806 13.9174 13.9174 16.3356 16.3356 16.5529 16.5529 k = 0.3244 0.8410-0.0000 ( 2038 PWs) bands (ev): -11.0570 -11.0570 -11.0303 -11.0303 -10.9931 -10.9931 -10.9783 -10.9783 -10.0521 -10.0521 -10.0220 -10.0220 -10.0018 -10.0018 -9.9520 -9.9520 -9.9040 -9.9040 -9.8823 -9.8823 4.4953 4.4953 5.4080 5.4080 7.8133 7.8133 7.9858 7.9858 8.1121 8.1121 14.1180 14.1180 16.5077 16.5077 16.7286 16.7286 k = 0.3244 0.8410-0.0000 ( 2038 PWs) bands (ev): -11.0570 -11.0570 -11.0303 -11.0303 -10.9931 -10.9931 -10.9783 -10.9783 -10.0521 -10.0521 -10.0220 -10.0220 -10.0018 -10.0018 -9.9520 -9.9520 -9.9040 -9.9040 -9.8823 -9.8823 4.4953 4.4953 5.4080 5.4080 7.8133 7.8133 7.9858 7.9858 8.1121 8.1121 14.1180 14.1180 16.5077 16.5077 16.7286 16.7286 k = 0.3226 0.8363 0.0131 ( 2040 PWs) bands (ev): -11.0571 -11.0571 -11.0298 -11.0298 -10.9932 -10.9932 -10.9784 -10.9784 -10.0524 -10.0524 -10.0228 -10.0228 -10.0009 -10.0009 -9.9521 -9.9521 -9.9031 -9.9031 -9.8814 -9.8814 4.4989 4.4989 5.4439 5.4439 7.7765 7.7765 8.0320 8.0320 8.1461 8.1461 14.0364 14.0364 16.4462 16.4462 16.6663 16.6663 k = 0.3208 0.8315 0.0261 ( 2040 PWs) bands (ev): -11.0571 -11.0571 -11.0294 -11.0294 -10.9933 -10.9933 -10.9786 -10.9786 -10.0529 -10.0529 -10.0236 -10.0236 -9.9998 -9.9998 -9.9522 -9.9522 -9.9024 -9.9024 -9.8802 -9.8802 4.4992 4.4992 5.4720 5.4720 7.7221 7.7221 8.0939 8.0939 8.2079 8.2079 13.9391 13.9391 16.3880 16.3880 16.6081 16.6081 k = 0.3190 0.8268 0.0392 ( 2035 PWs) bands (ev): -11.0572 -11.0572 -11.0290 -11.0290 -10.9935 -10.9935 -10.9788 -10.9788 -10.0533 -10.0533 -10.0244 -10.0244 -9.9985 -9.9985 -9.9525 -9.9525 -9.9019 -9.9019 -9.8789 -9.8789 4.4965 4.4965 5.4928 5.4928 7.6617 7.6617 8.1675 8.1675 8.2889 8.2889 13.8268 13.8268 16.3330 16.3330 16.5539 16.5539 k = 0.3171 0.8221 0.0523 ( 2033 PWs) bands (ev): -11.0573 -11.0573 -11.0285 -11.0285 -10.9937 -10.9937 -10.9790 -10.9790 -10.0538 -10.0538 -10.0251 -10.0251 -9.9971 -9.9971 -9.9528 -9.9528 -9.9015 -9.9015 -9.8774 -9.8774 4.4914 4.4914 5.5068 5.5068 7.6002 7.6002 8.2516 8.2516 8.3842 8.3842 13.7007 13.7007 16.2809 16.2809 16.5034 16.5034 k = 0.3153 0.8174 0.0654 ( 2033 PWs) bands (ev): -11.0573 -11.0573 -11.0280 -11.0280 -10.9940 -10.9940 -10.9793 -10.9793 -10.0543 -10.0543 -10.0257 -10.0257 -9.9956 -9.9956 -9.9533 -9.9533 -9.9014 -9.9014 -9.8757 -9.8757 4.4843 4.4843 5.5146 5.5146 7.5395 7.5395 8.3459 8.3459 8.4906 8.4906 13.5625 13.5625 16.2317 16.2317 16.4564 16.4564 k = 0.3135 0.8127 0.0784 ( 2029 PWs) bands (ev): -11.0573 -11.0573 -11.0275 -11.0275 -10.9943 -10.9943 -10.9797 -10.9797 -10.0549 -10.0549 -10.0263 -10.0263 -9.9941 -9.9941 -9.9538 -9.9538 -9.9013 -9.9013 -9.8741 -9.8741 4.4757 4.4757 5.5172 5.5172 7.4807 7.4807 8.4498 8.4498 8.6065 8.6065 13.4136 13.4136 16.1851 16.1851 16.4125 16.4125 k = 0.3117 0.8080 0.0915 ( 2025 PWs) bands (ev): -11.0573 -11.0573 -11.0271 -11.0271 -10.9946 -10.9946 -10.9800 -10.9800 -10.0554 -10.0554 -10.0268 -10.0268 -9.9924 -9.9924 -9.9544 -9.9544 -9.9013 -9.9013 -9.8723 -9.8723 4.4661 4.4661 5.5152 5.5152 7.4242 7.4242 8.5626 8.5626 8.7304 8.7304 13.2558 13.2558 16.1411 16.1411 16.3715 16.3715 k = 0.3099 0.8033 0.1046 ( 2023 PWs) bands (ev): -11.0573 -11.0573 -11.0266 -11.0266 -10.9949 -10.9949 -10.9804 -10.9804 -10.0560 -10.0560 -10.0272 -10.0272 -9.9908 -9.9908 -9.9550 -9.9550 -9.9014 -9.9014 -9.8706 -9.8706 4.4558 4.4558 5.5095 5.5095 7.3705 7.3705 8.6831 8.6831 8.8616 8.8616 13.0907 13.0907 16.0994 16.0994 16.3331 16.3331 k = 0.3081 0.7986 0.1176 ( 2019 PWs) bands (ev): -11.0572 -11.0572 -11.0261 -11.0261 -10.9953 -10.9953 -10.9808 -10.9808 -10.0566 -10.0566 -10.0274 -10.0274 -9.9892 -9.9892 -9.9556 -9.9556 -9.9015 -9.9015 -9.8689 -9.8689 4.4452 4.4452 5.5009 5.5009 7.3197 7.3197 8.8104 8.8104 8.9993 8.9993 12.9202 12.9202 16.0601 16.0601 16.2970 16.2970 k = 0.3063 0.7939 0.1307 ( 2020 PWs) bands (ev): -11.0572 -11.0572 -11.0256 -11.0256 -10.9957 -10.9957 -10.9813 -10.9813 -10.0572 -10.0572 -10.0276 -10.0276 -9.9876 -9.9876 -9.9562 -9.9562 -9.9017 -9.9017 -9.8672 -9.8672 4.4347 4.4347 5.4901 5.4901 7.2718 7.2718 8.9433 8.9433 9.1430 9.1430 12.7459 12.7459 16.0231 16.0231 16.2628 16.2628 k = 0.3044 0.7892 0.1438 ( 2023 PWs) bands (ev): -11.0571 -11.0571 -11.0251 -11.0251 -10.9961 -10.9961 -10.9818 -10.9818 -10.0578 -10.0578 -10.0277 -10.0277 -9.9861 -9.9861 -9.9567 -9.9567 -9.9019 -9.9019 -9.8656 -9.8656 4.4246 4.4246 5.4776 5.4776 7.2271 7.2271 9.0806 9.0806 9.2922 9.2922 12.5695 12.5695 15.9885 15.9885 16.2306 16.2306 k = 0.3026 0.7845 0.1569 ( 2021 PWs) bands (ev): -11.0570 -11.0570 -11.0247 -11.0247 -10.9965 -10.9965 -10.9822 -10.9822 -10.0583 -10.0583 -10.0277 -10.0277 -9.9847 -9.9847 -9.9571 -9.9571 -9.9022 -9.9022 -9.8640 -9.8640 4.4151 4.4151 5.4639 5.4639 7.1855 7.1855 9.2208 9.2208 9.4464 9.4464 12.3930 12.3930 15.9561 15.9561 16.2001 16.2001 k = 0.3008 0.7798 0.1699 ( 2021 PWs) bands (ev): -11.0568 -11.0568 -11.0242 -11.0242 -10.9970 -10.9970 -10.9827 -10.9827 -10.0589 -10.0589 -10.0276 -10.0276 -9.9836 -9.9836 -9.9573 -9.9573 -9.9025 -9.9025 -9.8625 -9.8625 4.4065 4.4065 5.4497 5.4497 7.1470 7.1470 9.3620 9.3620 9.6054 9.6054 12.2185 12.2185 15.9260 15.9260 16.1712 16.1712 k = 0.2990 0.7751 0.1830 ( 2022 PWs) bands (ev): -11.0566 -11.0566 -11.0238 -11.0238 -10.9975 -10.9975 -10.9832 -10.9832 -10.0594 -10.0594 -10.0274 -10.0274 -9.9826 -9.9826 -9.9572 -9.9572 -9.9028 -9.9028 -9.8611 -9.8611 4.3990 4.3990 5.4351 5.4351 7.1118 7.1118 9.5019 9.5019 9.7687 9.7687 12.0488 12.0488 15.8982 15.8982 16.1438 16.1438 k = 0.2972 0.7704 0.1961 ( 2026 PWs) bands (ev): -11.0564 -11.0564 -11.0234 -11.0234 -10.9980 -10.9980 -10.9837 -10.9837 -10.0599 -10.0599 -10.0272 -10.0272 -9.9820 -9.9820 -9.9569 -9.9569 -9.9031 -9.9031 -9.8598 -9.8598 4.3928 4.3928 5.4206 5.4206 7.0798 7.0798 9.6369 9.6369 9.9360 9.9360 11.8876 11.8876 15.8726 15.8726 16.1178 16.1178 k = 0.2954 0.7657 0.2091 ( 2028 PWs) bands (ev): -11.0562 -11.0562 -11.0230 -11.0230 -10.9986 -10.9985 -10.9842 -10.9842 -10.0603 -10.0603 -10.0269 -10.0269 -9.9817 -9.9817 -9.9562 -9.9562 -9.9035 -9.9035 -9.8586 -9.8586 4.3880 4.3880 5.4064 5.4064 7.0511 7.0511 9.7620 9.7620 10.1071 10.1071 11.7403 11.7403 15.8492 15.8492 16.0932 16.0932 k = 0.2936 0.7610 0.2222 ( 2033 PWs) bands (ev): -11.0559 -11.0559 -11.0226 -11.0226 -10.9991 -10.9991 -10.9847 -10.9847 -10.0607 -10.0607 -10.0266 -10.0266 -9.9817 -9.9817 -9.9552 -9.9552 -9.9039 -9.9039 -9.8575 -9.8575 4.3849 4.3849 5.3927 5.3927 7.0256 7.0256 9.8696 9.8696 10.2816 10.2816 11.6144 11.6144 15.8280 15.8280 16.0699 16.0699 k = 0.2917 0.7563 0.2353 ( 2031 PWs) bands (ev): -11.0556 -11.0556 -11.0222 -11.0222 -10.9997 -10.9997 -10.9852 -10.9852 -10.0610 -10.0610 -10.0263 -10.0263 -9.9820 -9.9820 -9.9538 -9.9538 -9.9043 -9.9043 -9.8565 -9.8565 4.3835 4.3835 5.3797 5.3797 7.0035 7.0035 9.9494 9.9494 10.4593 10.4593 11.5208 11.5208 15.8087 15.8087 16.0478 16.0478 k = 0.2899 0.7516 0.2483 ( 2029 PWs) bands (ev): -11.0552 -11.0552 -11.0219 -11.0219 -11.0003 -11.0003 -10.9857 -10.9857 -10.0612 -10.0612 -10.0260 -10.0260 -9.9825 -9.9825 -9.9523 -9.9523 -9.9047 -9.9047 -9.8556 -9.8556 4.3841 4.3841 5.3676 5.3676 6.9846 6.9846 9.9892 9.9892 10.6399 10.6399 11.4716 11.4716 15.7913 15.7913 16.0267 16.0267 k = 0.2881 0.7469 0.2614 ( 2029 PWs) bands (ev): -11.0548 -11.0548 -11.0216 -11.0216 -11.0009 -11.0009 -10.9862 -10.9862 -10.0614 -10.0614 -10.0257 -10.0257 -9.9831 -9.9831 -9.9505 -9.9505 -9.9052 -9.9052 -9.8548 -9.8548 4.3866 4.3866 5.3563 5.3563 6.9690 6.9690 9.9804 9.9804 10.8232 10.8232 11.4755 11.4755 15.7755 15.7755 16.0065 16.0065 k = 0.2863 0.7422 0.2745 ( 2031 PWs) bands (ev): -11.0544 -11.0544 -11.0214 -11.0214 -11.0015 -11.0015 -10.9866 -10.9866 -10.0615 -10.0615 -10.0255 -10.0255 -9.9839 -9.9839 -9.9486 -9.9486 -9.9058 -9.9057 -9.8542 -9.8542 4.3912 4.3912 5.3459 5.3459 6.9567 6.9567 9.9236 9.9236 11.0089 11.0089 11.5321 11.5321 15.7612 15.7612 15.9871 15.9871 k = 0.2845 0.7375 0.2876 ( 2031 PWs) bands (ev): -11.0540 -11.0540 -11.0212 -11.0212 -11.0022 -11.0022 -10.9870 -10.9870 -10.0615 -10.0615 -10.0253 -10.0253 -9.9846 -9.9846 -9.9465 -9.9465 -9.9063 -9.9063 -9.8536 -9.8536 4.3979 4.3979 5.3365 5.3365 6.9478 6.9478 9.8280 9.8280 11.1967 11.1967 11.6322 11.6322 15.7480 15.7480 15.9682 15.9682 k = 0.2827 0.7328 0.3006 ( 2029 PWs) bands (ev): -11.0535 -11.0534 -11.0210 -11.0210 -11.0028 -11.0028 -10.9874 -10.9874 -10.0615 -10.0615 -10.0252 -10.0252 -9.9854 -9.9854 -9.9444 -9.9444 -9.9069 -9.9069 -9.8532 -9.8532 4.4069 4.4069 5.3280 5.3280 6.9421 6.9421 9.7052 9.7052 11.3863 11.3863 11.7643 11.7643 15.7354 15.7354 15.9495 15.9495 k = 0.2809 0.7281 0.3137 ( 2035 PWs) bands (ev): -11.0529 -11.0529 -11.0209 -11.0209 -11.0035 -11.0035 -10.9877 -10.9877 -10.0613 -10.0613 -10.0253 -10.0253 -9.9861 -9.9860 -9.9423 -9.9423 -9.9075 -9.9075 -9.8529 -9.8529 4.4183 4.4183 5.3203 5.3203 6.9397 6.9397 9.5651 9.5651 11.5774 11.5774 11.9185 11.9185 15.7231 15.7231 15.9307 15.9307 k = 0.2790 0.7233 0.3268 ( 2037 PWs) bands (ev): -11.0523 -11.0523 -11.0209 -11.0209 -11.0041 -11.0041 -10.9880 -10.9880 -10.0611 -10.0611 -10.0254 -10.0254 -9.9867 -9.9867 -9.9401 -9.9401 -9.9081 -9.9081 -9.8527 -9.8527 4.4319 4.4319 5.3134 5.3134 6.9406 6.9406 9.4147 9.4147 11.7697 11.7697 12.0881 12.0881 15.7103 15.7103 15.9116 15.9116 k = 0.2772 0.7186 0.3398 ( 2037 PWs) bands (ev): -11.0517 -11.0517 -11.0209 -11.0209 -11.0048 -11.0048 -10.9883 -10.9883 -10.0607 -10.0607 -10.0257 -10.0257 -9.9872 -9.9872 -9.9379 -9.9379 -9.9088 -9.9088 -9.8525 -9.8525 4.4481 4.4481 5.3071 5.3071 6.9448 6.9448 9.2584 9.2584 11.9628 11.9628 12.2683 12.2683 15.6961 15.6961 15.8916 15.8916 k = 0.2754 0.7139 0.3529 ( 2038 PWs) bands (ev): -11.0511 -11.0511 -11.0210 -11.0209 -11.0054 -11.0054 -10.9886 -10.9886 -10.0603 -10.0603 -10.0261 -10.0261 -9.9875 -9.9875 -9.9357 -9.9357 -9.9095 -9.9095 -9.8525 -9.8525 4.4667 4.4667 5.3011 5.3011 6.9523 6.9523 9.0997 9.0997 12.1563 12.1563 12.4559 12.4559 15.6797 15.6797 15.8703 15.8703 k = 0.2736 0.7092 0.3660 ( 2036 PWs) bands (ev): -11.0504 -11.0504 -11.0211 -11.0211 -11.0060 -11.0060 -10.9888 -10.9888 -10.0598 -10.0598 -10.0267 -10.0267 -9.9878 -9.9878 -9.9336 -9.9336 -9.9102 -9.9102 -9.8525 -9.8525 4.4878 4.4878 5.2954 5.2954 6.9631 6.9631 8.9406 8.9406 12.3497 12.3497 12.6488 12.6488 15.6595 15.6595 15.8474 15.8474 k = 0.2718 0.7045 0.3791 ( 2040 PWs) bands (ev): -11.0497 -11.0497 -11.0213 -11.0213 -11.0065 -11.0065 -10.9890 -10.9890 -10.0592 -10.0592 -10.0275 -10.0275 -9.9879 -9.9879 -9.9316 -9.9316 -9.9109 -9.9109 -9.8526 -9.8526 4.5114 4.5114 5.2894 5.2894 6.9771 6.9771 8.7828 8.7828 12.5425 12.5425 12.8451 12.8451 15.6343 15.6343 15.8223 15.8223 k = 0.2700 0.6998 0.3921 ( 2039 PWs) bands (ev): -11.0489 -11.0489 -11.0216 -11.0216 -11.0070 -11.0070 -10.9892 -10.9892 -10.0584 -10.0584 -10.0284 -10.0284 -9.9879 -9.9879 -9.9296 -9.9296 -9.9116 -9.9116 -9.8528 -9.8528 4.5377 4.5377 5.2830 5.2830 6.9943 6.9943 8.6277 8.6277 12.7342 12.7342 13.0434 13.0434 15.6024 15.6024 15.7944 15.7944 k = 0.2681 0.6951 0.4052 ( 2041 PWs) bands (ev): -11.0482 -11.0482 -11.0220 -11.0220 -11.0074 -11.0074 -10.9893 -10.9893 -10.0576 -10.0576 -10.0295 -10.0295 -9.9878 -9.9878 -9.9277 -9.9277 -9.9123 -9.9123 -9.8530 -9.8530 4.5665 4.5665 5.2755 5.2755 7.0147 7.0147 8.4765 8.4765 12.9241 12.9241 13.2423 13.2423 15.5623 15.5623 15.7631 15.7631 k = 0.2663 0.6904 0.4183 ( 2043 PWs) bands (ev): -11.0474 -11.0474 -11.0224 -11.0224 -11.0078 -11.0078 -10.9895 -10.9895 -10.0567 -10.0567 -10.0306 -10.0306 -9.9876 -9.9876 -9.9259 -9.9259 -9.9130 -9.9130 -9.8533 -9.8533 4.5980 4.5980 5.2667 5.2667 7.0384 7.0384 8.3302 8.3302 13.1115 13.1115 13.4406 13.4406 15.5127 15.5127 15.7274 15.7274 k = 0.2645 0.6857 0.4313 ( 2041 PWs) bands (ev): -11.0466 -11.0466 -11.0229 -11.0229 -11.0082 -11.0081 -10.9896 -10.9896 -10.0557 -10.0557 -10.0319 -10.0319 -9.9873 -9.9873 -9.9243 -9.9243 -9.9137 -9.9137 -9.8536 -9.8536 4.6322 4.6322 5.2557 5.2557 7.0652 7.0652 8.1898 8.1898 13.2957 13.2957 13.6366 13.6366 15.4531 15.4531 15.6862 15.6862 k = 0.2627 0.6810 0.4444 ( 2043 PWs) bands (ev): -11.0459 -11.0459 -11.0234 -11.0234 -11.0084 -11.0084 -10.9896 -10.9896 -10.0547 -10.0547 -10.0333 -10.0333 -9.9870 -9.9870 -9.9228 -9.9228 -9.9143 -9.9143 -9.8539 -9.8539 4.6690 4.6690 5.2421 5.2421 7.0951 7.0951 8.0564 8.0564 13.4757 13.4757 13.8288 13.8288 15.3832 15.3832 15.6385 15.6385 k = 0.2609 0.6763 0.4575 ( 2040 PWs) bands (ev): -11.0452 -11.0452 -11.0239 -11.0239 -11.0087 -11.0087 -10.9897 -10.9897 -10.0535 -10.0535 -10.0347 -10.0347 -9.9867 -9.9867 -9.9214 -9.9214 -9.9149 -9.9149 -9.8542 -9.8542 4.7085 4.7085 5.2250 5.2250 7.1281 7.1281 7.9308 7.9308 13.6505 13.6505 14.0150 14.0150 15.3038 15.3038 15.5835 15.5835 k = 0.2591 0.6716 0.4706 ( 2040 PWs) bands (ev): -11.0445 -11.0445 -11.0245 -11.0245 -11.0089 -11.0089 -10.9898 -10.9898 -10.0523 -10.0523 -10.0362 -10.0362 -9.9864 -9.9864 -9.9202 -9.9202 -9.9155 -9.9155 -9.8545 -9.8545 4.7507 4.7507 5.2036 5.2036 7.1642 7.1642 7.8143 7.8143 13.8189 13.8189 14.1926 14.1926 15.2163 15.2163 15.5208 15.5208 k = 0.2573 0.6669 0.4836 ( 2041 PWs) bands (ev): -11.0438 -11.0438 -11.0250 -11.0250 -11.0090 -11.0090 -10.9898 -10.9898 -10.0510 -10.0510 -10.0377 -10.0377 -9.9861 -9.9861 -9.9192 -9.9192 -9.9160 -9.9160 -9.8547 -9.8547 4.7956 4.7956 5.1772 5.1772 7.2032 7.2032 7.7079 7.7079 13.9792 13.9792 14.3574 14.3574 15.1236 15.1236 15.4513 15.4513 k = 0.2554 0.6622 0.4967 ( 2041 PWs) bands (ev): -11.0433 -11.0433 -11.0254 -11.0254 -11.0091 -11.0091 -10.9898 -10.9898 -10.0496 -10.0496 -10.0392 -10.0392 -9.9859 -9.9858 -9.9184 -9.9184 -9.9164 -9.9164 -9.8549 -9.8549 4.8431 4.8431 5.1451 5.1451 7.2449 7.2449 7.6125 7.6125 14.1293 14.1293 14.5023 14.5023 15.0316 15.0316 15.3768 15.3768 k = 0.2536 0.6575 0.5098 ( 2044 PWs) bands (ev): -11.0429 -11.0429 -11.0258 -11.0258 -11.0092 -11.0092 -10.9898 -10.9898 -10.0483 -10.0483 -10.0407 -10.0407 -9.9857 -9.9857 -9.9178 -9.9178 -9.9167 -9.9167 -9.8551 -9.8551 4.8930 4.8930 5.1066 5.1066 7.2889 7.2889 7.5296 7.5296 14.2650 14.2650 14.6102 14.6102 14.9553 14.9553 15.3021 15.3021 k = 0.2518 0.6528 0.5228 ( 2046 PWs) bands (ev): -11.0427 -11.0427 -11.0260 -11.0260 -11.0092 -11.0092 -10.9898 -10.9898 -10.0471 -10.0471 -10.0420 -10.0420 -9.9855 -9.9855 -9.9175 -9.9174 -9.9169 -9.9169 -9.8552 -9.8552 4.9445 4.9445 5.0623 5.0623 7.3331 7.3331 7.4618 7.4618 14.3757 14.3757 14.6485 14.6485 14.9255 14.9255 15.2389 15.2389 k = 0.2500 0.6481 0.5359 ( 2044 PWs) bands (ev): -11.0426 -11.0426 -11.0261 -11.0261 -11.0092 -11.0092 -10.9898 -10.9898 -10.0465 -10.0465 -10.0426 -10.0426 -9.9855 -9.9855 -9.9174 -9.9174 -9.9169 -9.9169 -9.8552 -9.8552 4.9832 4.9832 5.0260 5.0260 7.3608 7.3608 7.4261 7.4261 14.4264 14.4264 14.6390 14.6390 14.9302 14.9302 15.2117 15.2117 k = 0.2500 0.6481 0.5359 ( 2044 PWs) bands (ev): -11.0426 -11.0426 -11.0261 -11.0261 -11.0092 -11.0092 -10.9898 -10.9898 -10.0465 -10.0465 -10.0426 -10.0426 -9.9855 -9.9855 -9.9174 -9.9174 -9.9169 -9.9169 -9.8552 -9.8552 4.9832 4.9832 5.0260 5.0260 7.3608 7.3608 7.4261 7.4261 14.4264 14.4264 14.6390 14.6390 14.9302 14.9302 15.2117 15.2117 k = 0.2407 0.6517 0.5260 ( 2046 PWs) bands (ev): -11.0427 -11.0427 -11.0260 -11.0260 -11.0092 -11.0092 -10.9898 -10.9898 -10.0472 -10.0472 -10.0419 -10.0419 -9.9855 -9.9855 -9.9174 -9.9174 -9.9169 -9.9169 -9.8552 -9.8552 4.9393 4.9393 5.0699 5.0699 7.3306 7.3306 7.4617 7.4617 14.3684 14.3684 14.6564 14.6564 14.9215 14.9215 15.2425 15.2425 k = 0.2315 0.6552 0.5161 ( 2046 PWs) bands (ev): -11.0430 -11.0430 -11.0257 -11.0257 -11.0092 -11.0092 -10.9898 -10.9898 -10.0485 -10.0485 -10.0405 -10.0405 -9.9857 -9.9857 -9.9176 -9.9176 -9.9168 -9.9168 -9.8550 -9.8550 4.8800 4.8800 5.1293 5.1293 7.2866 7.2866 7.5220 7.5220 14.2386 14.2386 14.6614 14.6614 14.9245 14.9245 15.3075 15.3075 k = 0.2222 0.6588 0.5061 ( 2046 PWs) bands (ev): -11.0435 -11.0435 -11.0253 -11.0253 -11.0091 -11.0091 -10.9898 -10.9898 -10.0500 -10.0500 -10.0389 -10.0389 -9.9859 -9.9859 -9.9181 -9.9181 -9.9165 -9.9165 -9.8548 -9.8548 4.8203 4.8203 5.1887 5.1887 7.2468 7.2468 7.5893 7.5893 14.0747 14.0747 14.6300 14.6300 14.9586 14.9586 15.3697 15.3697 k = 0.2130 0.6624 0.4962 ( 2044 PWs) bands (ev): -11.0441 -11.0441 -11.0248 -11.0248 -11.0089 -11.0089 -10.9898 -10.9898 -10.0515 -10.0515 -10.0373 -10.0373 -9.9862 -9.9862 -9.9187 -9.9187 -9.9161 -9.9161 -9.8545 -9.8545 4.7616 4.7616 5.2466 5.2466 7.2137 7.2137 7.6611 7.6611 13.8911 13.8911 14.5801 14.5801 15.0087 15.0087 15.4076 15.4076 k = 0.2037 0.6659 0.4863 ( 2044 PWs) bands (ev): -11.0448 -11.0448 -11.0243 -11.0243 -11.0087 -11.0087 -10.9897 -10.9897 -10.0530 -10.0530 -10.0357 -10.0357 -9.9866 -9.9866 -9.9195 -9.9195 -9.9156 -9.9156 -9.8541 -9.8541 4.7043 4.7043 5.3020 5.3020 7.1886 7.1886 7.7366 7.7366 13.6952 13.6952 14.5249 14.5249 15.0622 15.0622 15.4120 15.4120 k = 0.1944 0.6695 0.4764 ( 2040 PWs) bands (ev): -11.0456 -11.0456 -11.0237 -11.0237 -11.0085 -11.0085 -10.9897 -10.9897 -10.0543 -10.0543 -10.0342 -10.0342 -9.9870 -9.9870 -9.9205 -9.9205 -9.9149 -9.9149 -9.8537 -9.8537 4.6486 4.6486 5.3540 5.3540 7.1727 7.1727 7.8153 7.8153 13.4917 13.4917 14.4690 14.4690 15.1123 15.1123 15.3833 15.3833 k = 0.1852 0.6731 0.4664 ( 2040 PWs) bands (ev): -11.0464 -11.0464 -11.0232 -11.0232 -11.0082 -11.0082 -10.9896 -10.9896 -10.0556 -10.0556 -10.0329 -10.0329 -9.9875 -9.9875 -9.9215 -9.9215 -9.9141 -9.9141 -9.8533 -9.8533 4.5948 4.5948 5.4018 5.4018 7.1668 7.1668 7.8967 7.8967 13.2835 13.2835 14.4139 14.4139 15.1476 15.1476 15.3353 15.3353 k = 0.1759 0.6767 0.4565 ( 2042 PWs) bands (ev): -11.0472 -11.0472 -11.0227 -11.0227 -11.0078 -11.0078 -10.9895 -10.9895 -10.0567 -10.0567 -10.0317 -10.0317 -9.9880 -9.9880 -9.9225 -9.9225 -9.9131 -9.9131 -9.8529 -9.8529 4.5430 4.5430 5.4446 5.4446 7.1717 7.1717 7.9805 7.9805 13.0728 13.0728 14.3603 14.3603 15.1332 15.1332 15.3095 15.3095 k = 0.1667 0.6802 0.4466 ( 2042 PWs) bands (ev): -11.0481 -11.0481 -11.0223 -11.0223 -11.0074 -11.0074 -10.9895 -10.9895 -10.0577 -10.0577 -10.0308 -10.0308 -9.9884 -9.9884 -9.9236 -9.9236 -9.9121 -9.9121 -9.8526 -9.8526 4.4934 4.4934 5.4817 5.4817 7.1881 7.1881 8.0661 8.0661 12.8610 12.8610 14.3083 14.3083 15.0502 15.0502 15.3316 15.3316 k = 0.1574 0.6838 0.4367 ( 2038 PWs) bands (ev): -11.0489 -11.0489 -11.0219 -11.0219 -11.0070 -11.0069 -10.9894 -10.9894 -10.0586 -10.0586 -10.0300 -10.0300 -9.9888 -9.9888 -9.9247 -9.9247 -9.9109 -9.9109 -9.8524 -9.8524 4.4461 4.4461 5.5128 5.5128 7.2163 7.2163 8.1532 8.1532 12.6491 12.6491 14.2579 14.2579 14.9348 14.9348 15.3712 15.3712 k = 0.1481 0.6874 0.4267 ( 2032 PWs) bands (ev): -11.0496 -11.0496 -11.0216 -11.0216 -11.0064 -11.0064 -10.9893 -10.9893 -10.0593 -10.0593 -10.0296 -10.0296 -9.9892 -9.9892 -9.9258 -9.9258 -9.9096 -9.9096 -9.8522 -9.8522 4.4012 4.4012 5.5378 5.5378 7.2564 7.2564 8.2413 8.2413 12.4379 12.4379 14.2089 14.2089 14.8065 14.8065 15.4137 15.4137 k = 0.1389 0.6909 0.4168 ( 2034 PWs) bands (ev): -11.0503 -11.0503 -11.0214 -11.0214 -11.0059 -11.0059 -10.9892 -10.9892 -10.0599 -10.0599 -10.0294 -10.0294 -9.9894 -9.9894 -9.9269 -9.9269 -9.9081 -9.9081 -9.8521 -9.8521 4.3587 4.3587 5.5569 5.5569 7.3082 7.3082 8.3299 8.3299 12.2282 12.2282 14.1609 14.1609 14.6732 14.6732 15.4552 15.4552 k = 0.1296 0.6945 0.4069 ( 2032 PWs) bands (ev): -11.0510 -11.0510 -11.0213 -11.0213 -11.0053 -11.0053 -10.9892 -10.9892 -10.0603 -10.0603 -10.0296 -10.0296 -9.9896 -9.9896 -9.9279 -9.9279 -9.9066 -9.9066 -9.8522 -9.8522 4.3188 4.3188 5.5705 5.5705 7.3712 7.3712 8.4186 8.4186 12.0204 12.0204 14.1130 14.1130 14.5397 14.5397 15.4944 15.4944 k = 0.1204 0.6981 0.3970 ( 2034 PWs) bands (ev): -11.0516 -11.0516 -11.0212 -11.0212 -11.0047 -11.0047 -10.9891 -10.9891 -10.0606 -10.0606 -10.0300 -10.0300 -9.9896 -9.9896 -9.9288 -9.9288 -9.9050 -9.9050 -9.8524 -9.8524 4.2815 4.2815 5.5792 5.5792 7.4446 7.4446 8.5068 8.5068 11.8152 11.8152 14.0634 14.0634 14.4105 14.4105 15.5307 15.5307 k = 0.1111 0.7017 0.3870 ( 2030 PWs) bands (ev): -11.0522 -11.0522 -11.0212 -11.0212 -11.0042 -11.0042 -10.9890 -10.9890 -10.0607 -10.0607 -10.0308 -10.0308 -9.9895 -9.9895 -9.9297 -9.9297 -9.9033 -9.9033 -9.8527 -9.8527 4.2468 4.2468 5.5838 5.5838 7.5276 7.5276 8.5939 8.5939 11.6129 11.6129 14.0088 14.0088 14.2911 14.2911 15.5637 15.5637 k = 0.1019 0.7052 0.3771 ( 2028 PWs) bands (ev): -11.0527 -11.0527 -11.0212 -11.0212 -11.0036 -11.0036 -10.9889 -10.9889 -10.0606 -10.0606 -10.0318 -10.0318 -9.9894 -9.9894 -9.9305 -9.9305 -9.9015 -9.9015 -9.8531 -9.8531 4.2148 4.2148 5.5851 5.5851 7.6192 7.6192 8.6791 8.6791 11.4140 11.4140 13.9435 13.9435 14.1888 14.1888 15.5935 15.5935 k = 0.0926 0.7088 0.3672 ( 2030 PWs) bands (ev): -11.0532 -11.0532 -11.0212 -11.0212 -11.0031 -11.0031 -10.9889 -10.9889 -10.0604 -10.0604 -10.0330 -10.0330 -9.9892 -9.9892 -9.9312 -9.9312 -9.8996 -9.8996 -9.8537 -9.8537 4.1854 4.1854 5.5839 5.5839 7.7182 7.7182 8.7616 8.7616 11.2192 11.2192 13.8627 13.8627 14.1101 14.1101 15.6200 15.6200 k = 0.0833 0.7124 0.3573 ( 2032 PWs) bands (ev): -11.0536 -11.0536 -11.0213 -11.0213 -11.0026 -11.0026 -10.9888 -10.9888 -10.0600 -10.0600 -10.0344 -10.0344 -9.9889 -9.9889 -9.9318 -9.9318 -9.8977 -9.8977 -9.8544 -9.8544 4.1589 4.1589 5.5808 5.5808 7.8237 7.8237 8.8405 8.8405 11.0290 11.0290 13.7693 13.7693 14.0534 14.0534 15.6432 15.6432 k = 0.0741 0.7159 0.3474 ( 2034 PWs) bands (ev): -11.0539 -11.0539 -11.0214 -11.0214 -11.0021 -11.0021 -10.9887 -10.9887 -10.0595 -10.0595 -10.0360 -10.0359 -9.9886 -9.9886 -9.9324 -9.9324 -9.8958 -9.8958 -9.8552 -9.8551 4.1350 4.1350 5.5765 5.5765 7.9344 7.9344 8.9148 8.9148 10.8442 10.8442 13.6713 13.6713 14.0119 14.0119 15.6634 15.6634 k = 0.0648 0.7195 0.3374 ( 2032 PWs) bands (ev): -11.0542 -11.0542 -11.0215 -11.0215 -11.0017 -11.0017 -10.9887 -10.9887 -10.0588 -10.0588 -10.0376 -10.0376 -9.9883 -9.9883 -9.9329 -9.9329 -9.8940 -9.8940 -9.8560 -9.8560 4.1139 4.1139 5.5716 5.5716 8.0490 8.0490 8.9833 8.9833 10.6659 10.6659 13.5759 13.5759 13.9800 13.9800 15.6806 15.6806 k = 0.0556 0.7231 0.3275 ( 2034 PWs) bands (ev): -11.0545 -11.0545 -11.0216 -11.0216 -11.0013 -11.0013 -10.9886 -10.9886 -10.0580 -10.0580 -10.0394 -10.0394 -9.9880 -9.9880 -9.9333 -9.9333 -9.8921 -9.8921 -9.8569 -9.8569 4.0957 4.0957 5.5666 5.5666 8.1659 8.1659 9.0446 9.0446 10.4958 10.4958 13.4872 13.4872 13.9547 13.9547 15.6950 15.6950 k = 0.0463 0.7267 0.3176 ( 2032 PWs) bands (ev): -11.0547 -11.0547 -11.0217 -11.0217 -11.0010 -11.0010 -10.9886 -10.9886 -10.0570 -10.0570 -10.0412 -10.0412 -9.9877 -9.9877 -9.9337 -9.9337 -9.8904 -9.8904 -9.8579 -9.8579 4.0802 4.0802 5.5617 5.5617 8.2828 8.2828 9.0973 9.0973 10.3359 10.3359 13.4082 13.4082 13.9344 13.9344 15.7069 15.7069 k = 0.0370 0.7302 0.3077 ( 2032 PWs) bands (ev): -11.0548 -11.0548 -11.0218 -11.0218 -11.0007 -11.0007 -10.9886 -10.9886 -10.0559 -10.0559 -10.0430 -10.0430 -9.9875 -9.9875 -9.9340 -9.9340 -9.8889 -9.8889 -9.8588 -9.8588 4.0675 4.0675 5.5573 5.5573 8.3968 8.3968 9.1397 9.1397 10.1899 10.1899 13.3409 13.3409 13.9184 13.9184 15.7163 15.7163 k = 0.0278 0.7338 0.2977 ( 2034 PWs) bands (ev): -11.0549 -11.0549 -11.0219 -11.0219 -11.0005 -11.0005 -10.9885 -10.9885 -10.0547 -10.0547 -10.0448 -10.0448 -9.9873 -9.9873 -9.9342 -9.9342 -9.8875 -9.8875 -9.8596 -9.8596 4.0576 4.0576 5.5536 5.5536 8.5028 8.5028 9.1702 9.1702 10.0627 10.0627 13.2868 13.2868 13.9062 13.9062 15.7235 15.7235 k = 0.0185 0.7374 0.2878 ( 2032 PWs) bands (ev): -11.0550 -11.0550 -11.0219 -11.0219 -11.0004 -11.0004 -10.9885 -10.9885 -10.0533 -10.0533 -10.0465 -10.0465 -9.9871 -9.9871 -9.9344 -9.9344 -9.8865 -9.8865 -9.8603 -9.8603 4.0505 4.0505 5.5509 5.5509 8.5933 8.5933 9.1883 9.1883 9.9618 9.9618 13.2473 13.2473 13.8976 13.8976 15.7285 15.7285 k = 0.0093 0.7409 0.2779 ( 2028 PWs) bands (ev): -11.0551 -11.0551 -11.0220 -11.0220 -11.0003 -11.0003 -10.9885 -10.9885 -10.0520 -10.0520 -10.0481 -10.0481 -9.9870 -9.9870 -9.9345 -9.9345 -9.8858 -9.8858 -9.8607 -9.8607 4.0463 4.0463 5.5492 5.5492 8.6568 8.6568 9.1955 9.1955 9.8960 9.8960 13.2231 13.2231 13.8925 13.8925 15.7315 15.7315 k = 0.0000 0.7445 0.2680 ( 2022 PWs) bands (ev): -11.0551 -11.0551 -11.0220 -11.0220 -11.0002 -11.0002 -10.9885 -10.9885 -10.0511 -10.0511 -10.0491 -10.0491 -9.9870 -9.9870 -9.9345 -9.9345 -9.8856 -9.8856 -9.8609 -9.8609 4.0449 4.0449 5.5486 5.5486 8.6801 8.6801 9.1969 9.1969 9.8730 9.8730 13.2151 13.2151 13.8908 13.8908 15.7325 15.7325 k = 0.0000 0.7445 0.2680 ( 2022 PWs) bands (ev): -11.0551 -11.0551 -11.0220 -11.0220 -11.0002 -11.0002 -10.9885 -10.9885 -10.0511 -10.0511 -10.0491 -10.0491 -9.9870 -9.9870 -9.9345 -9.9345 -9.8856 -9.8856 -9.8609 -9.8609 4.0449 4.0449 5.5486 5.5486 8.6801 8.6801 9.1969 9.1969 9.8730 9.8730 13.2151 13.2151 13.8908 13.8908 15.7325 15.7325 k =-0.0105 0.7414 0.2766 ( 2028 PWs) bands (ev): -11.0551 -11.0551 -11.0220 -11.0220 -11.0002 -11.0002 -10.9885 -10.9885 -10.0516 -10.0516 -10.0486 -10.0486 -9.9870 -9.9870 -9.9346 -9.9346 -9.8857 -9.8857 -9.8608 -9.8608 4.0459 4.0459 5.5495 5.5495 8.6511 8.6511 9.2273 9.2273 9.8700 9.8700 13.2213 13.2213 13.8570 13.8570 15.7642 15.7642 k =-0.0209 0.7383 0.2852 ( 2032 PWs) bands (ev): -11.0552 -11.0552 -11.0219 -11.0219 -11.0002 -11.0002 -10.9884 -10.9884 -10.0524 -10.0524 -10.0477 -10.0477 -9.9868 -9.9868 -9.9350 -9.9350 -9.8859 -9.8859 -9.8607 -9.8607 4.0489 4.0489 5.5522 5.5522 8.5791 8.5791 9.3029 9.3029 9.8618 9.8618 13.2390 13.2390 13.7635 13.7635 15.8519 15.8519 k =-0.0314 0.7352 0.2939 ( 2034 PWs) bands (ev): -11.0553 -11.0553 -11.0219 -11.0219 -11.0002 -11.0002 -10.9883 -10.9883 -10.0533 -10.0533 -10.0467 -10.0467 -9.9866 -9.9866 -9.9355 -9.9355 -9.8863 -9.8863 -9.8604 -9.8604 4.0539 4.0539 5.5566 5.5566 8.4864 8.4864 9.3981 9.3981 9.8520 9.8520 13.2637 13.2637 13.6299 13.6299 15.9785 15.9785 k =-0.0419 0.7321 0.3025 ( 2034 PWs) bands (ev): -11.0554 -11.0554 -11.0218 -11.0218 -11.0001 -11.0001 -10.9881 -10.9881 -10.0542 -10.0542 -10.0456 -10.0456 -9.9863 -9.9863 -9.9363 -9.9363 -9.8868 -9.8868 -9.8601 -9.8601 4.0608 4.0608 5.5627 5.5627 8.3859 8.3859 9.4916 9.4916 9.8496 9.8496 13.2723 13.2723 13.4944 13.4944 16.1260 16.1260 k =-0.0523 0.7290 0.3112 ( 2034 PWs) bands (ev): -11.0555 -11.0555 -11.0217 -11.0217 -11.0001 -11.0001 -10.9879 -10.9879 -10.0550 -10.0550 -10.0446 -10.0446 -9.9859 -9.9859 -9.9373 -9.9373 -9.8873 -9.8873 -9.8598 -9.8598 4.0697 4.0697 5.5704 5.5704 8.2833 8.2833 9.5577 9.5577 9.8747 9.8747 13.1778 13.1778 13.4548 13.4548 16.2787 16.2787 k =-0.0628 0.7259 0.3198 ( 2038 PWs) bands (ev): -11.0557 -11.0557 -11.0217 -11.0217 -11.0000 -11.0000 -10.9877 -10.9877 -10.0558 -10.0558 -10.0435 -10.0435 -9.9854 -9.9854 -9.9385 -9.9385 -9.8880 -9.8880 -9.8594 -9.8594 4.0805 4.0805 5.5795 5.5795 8.1817 8.1817 9.5752 9.5752 9.9462 9.9462 12.9959 12.9959 13.5031 13.5031 16.4239 16.4239 k =-0.0733 0.7227 0.3285 ( 2040 PWs) bands (ev): -11.0559 -11.0559 -11.0216 -11.0216 -10.9999 -10.9999 -10.9874 -10.9874 -10.0565 -10.0565 -10.0424 -10.0424 -9.9849 -9.9849 -9.9399 -9.9399 -9.8886 -9.8886 -9.8591 -9.8591 4.0931 4.0931 5.5898 5.5898 8.0828 8.0828 9.5533 9.5533 10.0531 10.0531 12.7921 12.7921 13.5786 13.5786 16.5511 16.5511 k =-0.0837 0.7196 0.3371 ( 2044 PWs) bands (ev): -11.0561 -11.0561 -11.0216 -11.0216 -10.9997 -10.9997 -10.9871 -10.9871 -10.0572 -10.0572 -10.0414 -10.0414 -9.9844 -9.9844 -9.9414 -9.9414 -9.8893 -9.8893 -9.8588 -9.8588 4.1074 4.1074 5.6011 5.6011 7.9876 7.9876 9.5104 9.5104 10.1758 10.1758 12.5833 12.5833 13.6681 13.6681 16.6526 16.6526 k =-0.0942 0.7165 0.3457 ( 2043 PWs) bands (ev): -11.0563 -11.0563 -11.0216 -11.0216 -10.9995 -10.9995 -10.9867 -10.9867 -10.0577 -10.0577 -10.0404 -10.0404 -9.9838 -9.9838 -9.9430 -9.9430 -9.8901 -9.8901 -9.8586 -9.8586 4.1235 4.1235 5.6133 5.6133 7.8970 7.8970 9.4562 9.4562 10.3024 10.3024 12.3770 12.3770 13.7680 13.7680 16.7247 16.7247 k =-0.1046 0.7134 0.3544 ( 2039 PWs) bands (ev): -11.0565 -11.0565 -11.0216 -11.0216 -10.9993 -10.9993 -10.9863 -10.9863 -10.0582 -10.0582 -10.0395 -10.0395 -9.9832 -9.9832 -9.9446 -9.9446 -9.8908 -9.8908 -9.8585 -9.8585 4.1411 4.1411 5.6259 5.6259 7.8117 7.8117 9.3952 9.3952 10.4245 10.4245 12.1799 12.1799 13.8765 13.8765 16.7680 16.7680 k =-0.1151 0.7103 0.3630 ( 2038 PWs) bands (ev): -11.0567 -11.0567 -11.0217 -11.0217 -10.9991 -10.9991 -10.9859 -10.9859 -10.0586 -10.0586 -10.0385 -10.0385 -9.9826 -9.9826 -9.9463 -9.9463 -9.8915 -9.8915 -9.8585 -9.8585 4.1602 4.1602 5.6387 5.6387 7.7322 7.7322 9.3295 9.3295 10.5327 10.5327 12.0013 12.0013 13.9924 13.9924 16.7864 16.7864 k =-0.1256 0.7072 0.3717 ( 2034 PWs) bands (ev): -11.0569 -11.0569 -11.0218 -11.0218 -10.9988 -10.9988 -10.9855 -10.9855 -10.0589 -10.0589 -10.0376 -10.0376 -9.9821 -9.9821 -9.9480 -9.9480 -9.8921 -9.8921 -9.8587 -9.8587 4.1807 4.1807 5.6512 5.6512 7.6591 7.6591 9.2606 9.2606 10.6122 10.6122 11.8557 11.8557 14.1146 14.1146 16.7850 16.7850 k =-0.1360 0.7041 0.3803 ( 2032 PWs) bands (ev): -11.0571 -11.0571 -11.0220 -11.0219 -10.9985 -10.9985 -10.9851 -10.9851 -10.0591 -10.0591 -10.0368 -10.0368 -9.9817 -9.9817 -9.9496 -9.9496 -9.8928 -9.8928 -9.8590 -9.8590 4.2024 4.2024 5.6631 5.6631 7.5931 7.5931 9.1896 9.1896 10.6422 10.6422 11.7643 11.7643 14.2422 14.2422 16.7688 16.7688 k =-0.1465 0.7010 0.3890 ( 2027 PWs) bands (ev): -11.0573 -11.0573 -11.0222 -11.0222 -10.9982 -10.9982 -10.9846 -10.9846 -10.0592 -10.0592 -10.0360 -10.0360 -9.9814 -9.9814 -9.9511 -9.9511 -9.8934 -9.8934 -9.8594 -9.8594 4.2251 4.2251 5.6739 5.6739 7.5346 7.5346 9.1171 9.1171 10.6051 10.6051 11.7448 11.7448 14.3746 14.3746 16.7421 16.7421 k =-0.1570 0.6979 0.3976 ( 2025 PWs) bands (ev): -11.0574 -11.0574 -11.0224 -11.0224 -10.9978 -10.9978 -10.9842 -10.9842 -10.0593 -10.0593 -10.0352 -10.0352 -9.9813 -9.9813 -9.9525 -9.9524 -9.8941 -9.8940 -9.8600 -9.8600 4.2487 4.2487 5.6831 5.6831 7.4843 7.4843 9.0439 9.0439 10.5036 10.5036 11.7945 11.7945 14.5109 14.5109 16.7086 16.7086 k =-0.1674 0.6947 0.4063 ( 2023 PWs) bands (ev): -11.0575 -11.0575 -11.0227 -11.0227 -10.9975 -10.9975 -10.9837 -10.9837 -10.0592 -10.0592 -10.0344 -10.0344 -9.9815 -9.9815 -9.9535 -9.9535 -9.8946 -9.8946 -9.8607 -9.8607 4.2728 4.2728 5.6902 5.6902 7.4427 7.4427 8.9704 8.9704 10.3577 10.3577 11.8936 11.8936 14.6505 14.6505 16.6708 16.6708 k =-0.1779 0.6916 0.4149 ( 2021 PWs) bands (ev): -11.0576 -11.0576 -11.0231 -11.0231 -10.9971 -10.9971 -10.9832 -10.9832 -10.0591 -10.0591 -10.0337 -10.0337 -9.9819 -9.9819 -9.9543 -9.9543 -9.8952 -9.8952 -9.8616 -9.8616 4.2974 4.2974 5.6949 5.6949 7.4101 7.4101 8.8971 8.8971 10.1869 10.1869 12.0227 12.0227 14.7926 14.7926 16.6310 16.6310 k =-0.1884 0.6885 0.4235 ( 2017 PWs) bands (ev): -11.0577 -11.0577 -11.0234 -11.0234 -10.9967 -10.9967 -10.9828 -10.9828 -10.0588 -10.0588 -10.0330 -10.0330 -9.9826 -9.9826 -9.9549 -9.9549 -9.8957 -9.8957 -9.8626 -9.8626 4.3221 4.3221 5.6969 5.6969 7.3871 7.3871 8.8242 8.8242 10.0036 10.0036 12.1695 12.1695 14.9367 14.9367 16.5909 16.5909 k =-0.1988 0.6854 0.4322 ( 2023 PWs) bands (ev): -11.0578 -11.0578 -11.0239 -11.0239 -10.9964 -10.9964 -10.9823 -10.9823 -10.0585 -10.0585 -10.0323 -10.0323 -9.9837 -9.9836 -9.9551 -9.9551 -9.8962 -9.8962 -9.8638 -9.8638 4.3465 4.3465 5.6958 5.6958 7.3737 7.3737 8.7521 8.7521 9.8149 9.8149 12.3268 12.3268 15.0818 15.0818 16.5521 16.5521 k =-0.2093 0.6823 0.4408 ( 2023 PWs) bands (ev): -11.0578 -11.0578 -11.0243 -11.0243 -10.9960 -10.9960 -10.9819 -10.9819 -10.0582 -10.0582 -10.0316 -10.0316 -9.9849 -9.9849 -9.9551 -9.9551 -9.8967 -9.8967 -9.8651 -9.8651 4.3704 4.3704 5.6915 5.6915 7.3701 7.3701 8.6811 8.6811 9.6252 9.6252 12.4903 12.4903 15.2272 15.2272 16.5158 16.5158 k =-0.2198 0.6792 0.4495 ( 2021 PWs) bands (ev): -11.0578 -11.0578 -11.0248 -11.0248 -10.9956 -10.9956 -10.9814 -10.9814 -10.0577 -10.0577 -10.0309 -10.0309 -9.9863 -9.9863 -9.9550 -9.9550 -9.8971 -9.8971 -9.8665 -9.8665 4.3935 4.3935 5.6840 5.6840 7.3762 7.3762 8.6113 8.6113 9.4372 9.4372 12.6572 12.6572 15.3720 15.3720 16.4834 16.4834 k =-0.2302 0.6761 0.4581 ( 2020 PWs) bands (ev): -11.0578 -11.0578 -11.0253 -11.0253 -10.9953 -10.9953 -10.9810 -10.9810 -10.0572 -10.0572 -10.0301 -10.0301 -9.9879 -9.9879 -9.9547 -9.9547 -9.8976 -9.8975 -9.8680 -9.8680 4.4152 4.4152 5.6733 5.6733 7.3916 7.3916 8.5430 8.5430 9.2530 9.2530 12.8254 12.8254 15.5153 15.5153 16.4562 16.4562 k =-0.2407 0.6730 0.4668 ( 2027 PWs) bands (ev): -11.0577 -11.0577 -11.0258 -11.0258 -10.9949 -10.9949 -10.9806 -10.9806 -10.0567 -10.0567 -10.0294 -10.0294 -9.9895 -9.9895 -9.9543 -9.9543 -9.8980 -9.8980 -9.8697 -9.8697 4.4354 4.4354 5.6593 5.6593 7.4161 7.4161 8.4763 8.4763 9.0744 9.0744 12.9932 12.9932 15.6558 15.6558 16.4357 16.4357 k =-0.2512 0.6699 0.4754 ( 2025 PWs) bands (ev): -11.0577 -11.0577 -11.0264 -11.0264 -10.9946 -10.9946 -10.9802 -10.9802 -10.0561 -10.0561 -10.0286 -10.0286 -9.9912 -9.9912 -9.9539 -9.9539 -9.8984 -9.8984 -9.8714 -9.8714 4.4535 4.4535 5.6422 5.6422 7.4491 7.4491 8.4113 8.4113 8.9029 8.9029 13.1588 13.1588 15.7922 15.7922 16.4235 16.4235 k =-0.2616 0.6667 0.4840 ( 2028 PWs) bands (ev): -11.0576 -11.0576 -11.0269 -11.0269 -10.9943 -10.9943 -10.9798 -10.9798 -10.0555 -10.0555 -10.0278 -10.0278 -9.9930 -9.9930 -9.9534 -9.9534 -9.8989 -9.8989 -9.8731 -9.8731 4.4692 4.4692 5.6218 5.6218 7.4898 7.4898 8.3480 8.3480 8.7401 8.7401 13.3208 13.3208 15.9227 15.9227 16.4217 16.4217 k =-0.2721 0.6636 0.4927 ( 2035 PWs) bands (ev): -11.0575 -11.0575 -11.0275 -11.0275 -10.9940 -10.9940 -10.9795 -10.9795 -10.0549 -10.0549 -10.0270 -10.0269 -9.9947 -9.9947 -9.9530 -9.9530 -9.8994 -9.8994 -9.8748 -9.8748 4.4821 4.4821 5.5979 5.5979 7.5377 7.5377 8.2864 8.2864 8.5880 8.5880 13.4773 13.4773 16.0452 16.0452 16.4329 16.4329 k =-0.2825 0.6605 0.5013 ( 2040 PWs) bands (ev): -11.0574 -11.0574 -11.0280 -11.0280 -10.9938 -10.9938 -10.9792 -10.9792 -10.0543 -10.0543 -10.0260 -10.0260 -9.9963 -9.9963 -9.9527 -9.9527 -9.9001 -9.9001 -9.8766 -9.8766 4.4920 4.4920 5.5701 5.5701 7.5916 7.5916 8.2261 8.2261 8.4489 8.4489 13.6266 13.6266 16.1571 16.1571 16.4601 16.4601 k =-0.2930 0.6574 0.5100 ( 2038 PWs) bands (ev): -11.0573 -11.0573 -11.0286 -11.0286 -10.9936 -10.9936 -10.9789 -10.9789 -10.0537 -10.0537 -10.0251 -10.0251 -9.9979 -9.9979 -9.9524 -9.9524 -9.9008 -9.9008 -9.8782 -9.8782 4.4985 4.4985 5.5379 5.5379 7.6502 7.6502 8.1662 8.1662 8.3262 8.3262 13.7670 13.7670 16.2562 16.2562 16.5058 16.5058 k =-0.3035 0.6543 0.5186 ( 2042 PWs) bands (ev): -11.0572 -11.0572 -11.0292 -11.0292 -10.9934 -10.9934 -10.9786 -10.9786 -10.0531 -10.0531 -10.0241 -10.0241 -9.9993 -9.9993 -9.9522 -9.9522 -9.9017 -9.9017 -9.8797 -9.8797 4.5013 4.5013 5.5005 5.5005 7.7113 7.7113 8.1047 8.1047 8.2254 8.2254 13.8966 13.8966 16.3439 16.3439 16.5694 16.5694 k =-0.3139 0.6512 0.5273 ( 2040 PWs) bands (ev): -11.0571 -11.0571 -11.0297 -11.0297 -10.9932 -10.9932 -10.9784 -10.9784 -10.0526 -10.0526 -10.0230 -10.0230 -10.0006 -10.0006 -9.9521 -9.9521 -9.9027 -9.9027 -9.8811 -9.8811 4.5004 4.5004 5.4574 5.4574 7.7698 7.7698 8.0416 8.0416 8.1525 8.1525 14.0139 14.0139 16.4256 16.4256 16.6457 16.6457 k =-0.3244 0.6481 0.5359 ( 2038 PWs) bands (ev): -11.0570 -11.0570 -11.0303 -11.0303 -10.9931 -10.9931 -10.9783 -10.9783 -10.0521 -10.0521 -10.0220 -10.0220 -10.0018 -10.0018 -9.9520 -9.9520 -9.9040 -9.9040 -9.8823 -9.8823 4.4953 4.4953 5.4080 5.4080 7.8133 7.8133 7.9858 7.9858 8.1121 8.1121 14.1180 14.1180 16.5077 16.5077 16.7286 16.7286 k =-0.3244 0.6481 0.5359 ( 2038 PWs) bands (ev): -11.0570 -11.0570 -11.0303 -11.0303 -10.9931 -10.9931 -10.9783 -10.9783 -10.0521 -10.0521 -10.0220 -10.0220 -10.0018 -10.0018 -9.9520 -9.9520 -9.9040 -9.9040 -9.8823 -9.8823 4.4953 4.4953 5.4080 5.4080 7.8133 7.8133 7.9858 7.9858 8.1121 8.1121 14.1180 14.1180 16.5077 16.5077 16.7286 16.7286 k =-0.3294 0.6351 0.5359 ( 2038 PWs) bands (ev): -11.0567 -11.0567 -11.0314 -11.0314 -10.9929 -10.9929 -10.9780 -10.9780 -10.0511 -10.0511 -10.0200 -10.0200 -10.0039 -10.0039 -9.9520 -9.9520 -9.9068 -9.9068 -9.8847 -9.8847 4.4755 4.4755 5.2995 5.2995 7.8375 7.8375 7.8875 7.8875 8.1119 8.1119 14.3225 14.3225 16.6833 16.6833 16.9076 16.9076 k =-0.3344 0.6221 0.5359 ( 2030 PWs) bands (ev): -11.0565 -11.0565 -11.0326 -11.0326 -10.9927 -10.9927 -10.9777 -10.9777 -10.0502 -10.0502 -10.0182 -10.0182 -10.0057 -10.0057 -9.9520 -9.9520 -9.9097 -9.9097 -9.8871 -9.8871 4.4477 4.4477 5.1941 5.1941 7.7875 7.7875 7.7911 7.7911 8.2025 8.2025 14.5297 14.5297 16.8613 16.8613 17.0888 17.0888 k =-0.3395 0.6091 0.5359 ( 2030 PWs) bands (ev): -11.0564 -11.0564 -11.0339 -11.0339 -10.9925 -10.9925 -10.9775 -10.9775 -10.0494 -10.0494 -10.0170 -10.0170 -10.0070 -10.0070 -9.9520 -9.9520 -9.9125 -9.9125 -9.8896 -9.8896 4.4133 4.4133 5.0918 5.0918 7.6966 7.6966 7.7083 7.7083 8.3375 8.3375 14.7393 14.7393 17.0415 17.0415 17.2719 17.2719 k =-0.3445 0.5961 0.5359 ( 2046 PWs) bands (ev): -11.0563 -11.0563 -11.0352 -11.0352 -10.9923 -10.9923 -10.9773 -10.9773 -10.0487 -10.0487 -10.0169 -10.0169 -10.0070 -10.0070 -9.9520 -9.9520 -9.9153 -9.9153 -9.8921 -9.8921 4.3738 4.3738 4.9927 4.9927 7.6042 7.6042 7.6218 7.6218 8.4935 8.4935 14.9511 14.9511 17.2236 17.2236 17.4566 17.4566 k =-0.3495 0.5831 0.5359 ( 2046 PWs) bands (ev): -11.0563 -11.0563 -11.0365 -11.0365 -10.9922 -10.9922 -10.9771 -10.9771 -10.0481 -10.0481 -10.0180 -10.0180 -10.0057 -10.0057 -9.9520 -9.9520 -9.9180 -9.9180 -9.8946 -9.8946 4.3303 4.3303 4.8967 4.8967 7.5140 7.5140 7.5340 7.5340 8.6635 8.6635 15.1649 15.1649 17.4073 17.4073 17.6426 17.6426 k =-0.3545 0.5700 0.5359 ( 2054 PWs) bands (ev): -11.0563 -11.0563 -11.0379 -11.0379 -10.9920 -10.9920 -10.9770 -10.9770 -10.0476 -10.0476 -10.0198 -10.0198 -10.0037 -10.0037 -9.9519 -9.9519 -9.9206 -9.9206 -9.8971 -9.8971 4.2839 4.2839 4.8038 4.8038 7.4261 7.4261 7.4469 7.4469 8.8443 8.8443 15.3803 15.3803 17.5923 17.5923 17.8296 17.8296 k =-0.3595 0.5570 0.5359 ( 2054 PWs) bands (ev): -11.0564 -11.0564 -11.0393 -11.0393 -10.9918 -10.9918 -10.9769 -10.9769 -10.0472 -10.0472 -10.0220 -10.0220 -10.0013 -10.0013 -9.9520 -9.9520 -9.9230 -9.9230 -9.8996 -9.8996 4.2355 4.2355 4.7141 4.7141 7.3405 7.3405 7.3614 7.3614 9.0343 9.0343 15.5969 15.5969 17.7782 17.7782 18.0173 18.0173 k =-0.3645 0.5440 0.5359 ( 2042 PWs) bands (ev): -11.0566 -11.0566 -11.0408 -11.0408 -10.9917 -10.9917 -10.9768 -10.9768 -10.0470 -10.0470 -10.0242 -10.0242 -9.9987 -9.9987 -9.9520 -9.9520 -9.9252 -9.9252 -9.9021 -9.9021 4.1859 4.1859 4.6275 4.6275 7.2574 7.2574 7.2779 7.2779 9.2322 9.2322 15.8144 15.8144 17.9646 17.9646 18.2051 18.2051 k =-0.3696 0.5310 0.5359 ( 2026 PWs) bands (ev): -11.0568 -11.0568 -11.0423 -11.0423 -10.9915 -10.9915 -10.9768 -10.9768 -10.0470 -10.0470 -10.0266 -10.0266 -9.9959 -9.9959 -9.9522 -9.9522 -9.9272 -9.9272 -9.9046 -9.9046 4.1357 4.1357 4.5440 4.5440 7.1768 7.1768 7.1966 7.1966 9.4371 9.4371 16.0321 16.0321 18.1512 18.1512 18.3925 18.3925 k =-0.3746 0.5180 0.5359 ( 2026 PWs) bands (ev): -11.0571 -11.0571 -11.0438 -11.0438 -10.9913 -10.9913 -10.9768 -10.9768 -10.0470 -10.0470 -10.0290 -10.0290 -9.9932 -9.9932 -9.9524 -9.9524 -9.9289 -9.9289 -9.9071 -9.9071 4.0854 4.0854 4.4636 4.4636 7.0988 7.0988 7.1178 7.1178 9.6484 9.6484 16.2495 16.2495 18.3372 18.3372 18.5789 18.5789 k =-0.3796 0.5050 0.5359 ( 2026 PWs) bands (ev): -11.0574 -11.0574 -11.0454 -11.0454 -10.9912 -10.9912 -10.9768 -10.9768 -10.0472 -10.0472 -10.0313 -10.0313 -9.9903 -9.9903 -9.9528 -9.9528 -9.9303 -9.9303 -9.9096 -9.9096 4.0356 4.0356 4.3863 4.3863 7.0234 7.0234 7.0416 7.0416 9.8653 9.8653 16.4658 16.4658 18.5221 18.5221 18.7636 18.7636 k =-0.3846 0.4920 0.5359 ( 2026 PWs) bands (ev): -11.0579 -11.0579 -11.0469 -11.0469 -10.9910 -10.9910 -10.9768 -10.9768 -10.0476 -10.0476 -10.0336 -10.0336 -9.9875 -9.9875 -9.9533 -9.9533 -9.9314 -9.9314 -9.9120 -9.9120 3.9865 3.9865 4.3121 4.3121 6.9507 6.9507 6.9680 6.9680 10.0876 10.0876 16.6800 16.6800 18.7053 18.7053 18.9455 18.9455 k =-0.3896 0.4790 0.5359 ( 2034 PWs) bands (ev): -11.0584 -11.0584 -11.0485 -11.0485 -10.9908 -10.9908 -10.9769 -10.9769 -10.0480 -10.0480 -10.0359 -10.0359 -9.9846 -9.9846 -9.9538 -9.9538 -9.9321 -9.9321 -9.9143 -9.9143 3.9385 3.9385 4.2409 4.2409 6.8808 6.8808 6.8972 6.8972 10.3147 10.3147 16.8909 16.8909 18.8857 18.8857 19.1236 19.1236 k =-0.3946 0.4660 0.5359 ( 2034 PWs) bands (ev): -11.0589 -11.0589 -11.0501 -11.0501 -10.9907 -10.9907 -10.9770 -10.9770 -10.0486 -10.0486 -10.0381 -10.0381 -9.9818 -9.9818 -9.9545 -9.9545 -9.9326 -9.9326 -9.9166 -9.9166 3.8918 3.8918 4.1729 4.1729 6.8137 6.8137 6.8292 6.8292 10.5463 10.5463 17.0972 17.0972 19.0624 19.0624 19.2966 19.2966 k =-0.3997 0.4530 0.5359 ( 2034 PWs) bands (ev): -11.0595 -11.0595 -11.0517 -11.0517 -10.9905 -10.9905 -10.9772 -10.9772 -10.0493 -10.0493 -10.0403 -10.0403 -9.9790 -9.9790 -9.9552 -9.9552 -9.9329 -9.9329 -9.9189 -9.9189 3.8467 3.8467 4.1079 4.1079 6.7494 6.7494 6.7640 6.7640 10.7821 10.7821 17.2969 17.2969 19.2342 19.2342 19.4628 19.4628 k =-0.4047 0.4400 0.5359 ( 2034 PWs) bands (ev): -11.0602 -11.0602 -11.0533 -11.0533 -10.9903 -10.9903 -10.9773 -10.9773 -10.0501 -10.0501 -10.0424 -10.0424 -9.9762 -9.9762 -9.9559 -9.9559 -9.9329 -9.9329 -9.9211 -9.9211 3.8034 3.8034 4.0459 4.0459 6.6881 6.6881 6.7017 6.7017 11.0219 11.0219 17.4878 17.4878 19.3996 19.3996 19.6206 19.6206 k =-0.4097 0.4270 0.5359 ( 2034 PWs) bands (ev): -11.0609 -11.0609 -11.0548 -11.0548 -10.9901 -10.9901 -10.9775 -10.9775 -10.0510 -10.0510 -10.0444 -10.0444 -9.9734 -9.9734 -9.9567 -9.9567 -9.9328 -9.9328 -9.9232 -9.9232 3.7620 3.7620 3.9870 3.9870 6.6296 6.6296 6.6424 6.6424 11.2653 11.2653 17.6670 17.6670 19.5571 19.5571 19.7678 19.7678 k =-0.4147 0.4140 0.5359 ( 2034 PWs) bands (ev): -11.0616 -11.0616 -11.0564 -11.0564 -10.9898 -10.9898 -10.9777 -10.9777 -10.0520 -10.0520 -10.0464 -10.0464 -9.9708 -9.9708 -9.9573 -9.9573 -9.9326 -9.9326 -9.9253 -9.9253 3.7226 3.7226 3.9310 3.9310 6.5742 6.5742 6.5861 6.5861 11.5122 11.5122 17.8309 17.8309 19.7048 19.7048 19.9025 19.9025 k =-0.4197 0.4010 0.5359 ( 2034 PWs) bands (ev): -11.0624 -11.0624 -11.0579 -11.0579 -10.9896 -10.9896 -10.9780 -10.9780 -10.0529 -10.0529 -10.0482 -10.0482 -9.9682 -9.9682 -9.9579 -9.9579 -9.9323 -9.9323 -9.9272 -9.9272 3.6853 3.6853 3.8781 3.8781 6.5217 6.5217 6.5328 6.5328 11.7623 11.7623 17.9751 17.9751 19.8408 19.8408 20.0229 20.0229 k =-0.4247 0.3880 0.5359 ( 2042 PWs) bands (ev): -11.0632 -11.0632 -11.0594 -11.0594 -10.9894 -10.9894 -10.9782 -10.9782 -10.0540 -10.0540 -10.0500 -10.0500 -9.9657 -9.9657 -9.9585 -9.9585 -9.9320 -9.9320 -9.9291 -9.9291 3.6503 3.6503 3.8282 3.8282 6.4723 6.4723 6.4826 6.4826 12.0155 12.0155 18.0946 18.0946 19.9630 19.9630 20.1277 20.1277 k =-0.4298 0.3750 0.5359 ( 2042 PWs) bands (ev): -11.0640 -11.0640 -11.0608 -11.0608 -10.9891 -10.9891 -10.9785 -10.9785 -10.0550 -10.0550 -10.0516 -10.0516 -9.9633 -9.9633 -9.9589 -9.9589 -9.9316 -9.9316 -9.9308 -9.9308 3.6176 3.6176 3.7812 3.7812 6.4259 6.4259 6.4355 6.4355 12.2716 12.2716 18.1838 18.1838 20.0697 20.0697 20.2163 20.2163 k =-0.4348 0.3620 0.5359 ( 2034 PWs) bands (ev): -11.0649 -11.0649 -11.0621 -11.0621 -10.9888 -10.9888 -10.9788 -10.9788 -10.0560 -10.0560 -10.0532 -10.0532 -9.9611 -9.9611 -9.9592 -9.9592 -9.9324 -9.9324 -9.9312 -9.9312 3.5873 3.5873 3.7372 3.7372 6.3827 6.3827 6.3914 6.3914 12.5303 12.5303 18.2370 18.2370 20.1595 20.1595 20.2890 20.2890 k =-0.4398 0.3489 0.5359 ( 2034 PWs) bands (ev): -11.0657 -11.0657 -11.0634 -11.0634 -10.9885 -10.9885 -10.9792 -10.9792 -10.0570 -10.0570 -10.0547 -10.0547 -9.9596 -9.9596 -9.9589 -9.9589 -9.9339 -9.9339 -9.9309 -9.9309 3.5594 3.5594 3.6962 3.6962 6.3426 6.3426 6.3506 6.3506 12.7915 12.7915 18.2498 18.2498 20.2322 20.2322 20.3468 20.3468 k =-0.4448 0.3359 0.5359 ( 2034 PWs) bands (ev): -11.0665 -11.0665 -11.0647 -11.0647 -10.9882 -10.9882 -10.9795 -10.9795 -10.0580 -10.0580 -10.0560 -10.0560 -9.9597 -9.9597 -9.9571 -9.9571 -9.9351 -9.9351 -9.9306 -9.9306 3.5340 3.5340 3.6580 3.6580 6.3056 6.3056 6.3129 6.3129 13.0551 13.0551 18.2196 18.2196 20.2890 20.2890 20.3914 20.3914 k =-0.4498 0.3229 0.5359 ( 2034 PWs) bands (ev): -11.0673 -11.0673 -11.0658 -11.0658 -10.9879 -10.9879 -10.9799 -10.9799 -10.0589 -10.0589 -10.0573 -10.0573 -9.9597 -9.9597 -9.9555 -9.9555 -9.9362 -9.9362 -9.9304 -9.9304 3.5111 3.5111 3.6228 3.6228 6.2718 6.2718 6.2783 6.2783 13.3207 13.3207 18.1466 18.1466 20.3323 20.3323 20.4248 20.4248 k =-0.4548 0.3099 0.5359 ( 2034 PWs) bands (ev): -11.0680 -11.0680 -11.0669 -11.0669 -10.9875 -10.9875 -10.9802 -10.9802 -10.0598 -10.0598 -10.0584 -10.0584 -9.9597 -9.9597 -9.9543 -9.9543 -9.9369 -9.9369 -9.9302 -9.9302 3.4909 3.4909 3.5905 3.5905 6.2411 6.2411 6.2470 6.2470 13.5882 13.5882 18.0336 18.0336 20.3652 20.3652 20.4489 20.4489 k =-0.4599 0.2969 0.5359 ( 2034 PWs) bands (ev): -11.0687 -11.0687 -11.0678 -11.0678 -10.9871 -10.9871 -10.9806 -10.9806 -10.0606 -10.0606 -10.0595 -10.0595 -9.9596 -9.9596 -9.9534 -9.9534 -9.9373 -9.9373 -9.9301 -9.9301 3.4732 3.4732 3.5611 3.5611 6.2137 6.2137 6.2189 6.2189 13.8574 13.8574 17.8855 17.8855 20.3903 20.3903 20.4656 20.4656 k =-0.4649 0.2839 0.5359 ( 2026 PWs) bands (ev): -11.0694 -11.0694 -11.0687 -11.0687 -10.9868 -10.9868 -10.9810 -10.9810 -10.0613 -10.0613 -10.0604 -10.0604 -9.9594 -9.9594 -9.9529 -9.9529 -9.9373 -9.9373 -9.9301 -9.9301 3.4581 3.4581 3.5346 3.5346 6.1895 6.1895 6.1940 6.1940 14.1279 14.1279 17.7081 17.7081 20.4100 20.4100 20.4765 20.4765 k =-0.4699 0.2709 0.5359 ( 2026 PWs) bands (ev): -11.0700 -11.0700 -11.0694 -11.0694 -10.9864 -10.9864 -10.9814 -10.9814 -10.0619 -10.0619 -10.0612 -10.0612 -9.9591 -9.9591 -9.9528 -9.9528 -9.9371 -9.9371 -9.9301 -9.9301 3.4457 3.4457 3.5109 3.5109 6.1686 6.1686 6.1724 6.1724 14.3995 14.3995 17.5068 17.5068 20.4255 20.4255 20.4830 20.4830 k =-0.4749 0.2579 0.5359 ( 2026 PWs) bands (ev): -11.0705 -11.0705 -11.0701 -11.0701 -10.9860 -10.9860 -10.9818 -10.9818 -10.0625 -10.0625 -10.0619 -10.0619 -9.9587 -9.9587 -9.9530 -9.9530 -9.9365 -9.9365 -9.9303 -9.9303 3.4360 3.4360 3.4901 3.4901 6.1509 6.1509 6.1541 6.1541 14.6719 14.6719 17.2869 17.2869 20.4381 20.4381 20.4862 20.4862 k =-0.4799 0.2449 0.5359 ( 2030 PWs) bands (ev): -11.0709 -11.0709 -11.0706 -11.0706 -10.9856 -10.9856 -10.9822 -10.9822 -10.0629 -10.0629 -10.0624 -10.0624 -9.9583 -9.9583 -9.9534 -9.9534 -9.9358 -9.9358 -9.9306 -9.9306 3.4290 3.4290 3.4721 3.4721 6.1364 6.1364 6.1390 6.1390 14.9446 14.9446 17.0524 17.0524 20.4484 20.4484 20.4870 20.4870 k =-0.4849 0.2319 0.5359 ( 2030 PWs) bands (ev): -11.0712 -11.0712 -11.0711 -11.0711 -10.9852 -10.9852 -10.9826 -10.9826 -10.0632 -10.0632 -10.0629 -10.0629 -9.9578 -9.9578 -9.9540 -9.9540 -9.9350 -9.9350 -9.9309 -9.9309 3.4247 3.4247 3.4569 3.4569 6.1253 6.1253 6.1272 6.1272 15.2171 15.2171 16.8068 16.8068 20.4569 20.4569 20.4859 20.4859 k =-0.4900 0.2189 0.5359 ( 2038 PWs) bands (ev): -11.0715 -11.0715 -11.0714 -11.0714 -10.9848 -10.9848 -10.9831 -10.9831 -10.0634 -10.0634 -10.0632 -10.0632 -9.9572 -9.9572 -9.9546 -9.9546 -9.9342 -9.9342 -9.9314 -9.9314 3.4232 3.4232 3.4446 3.4446 6.1174 6.1174 6.1186 6.1186 15.4889 15.4889 16.5528 16.5528 20.4641 20.4641 20.4834 20.4834 k =-0.4950 0.2059 0.5359 ( 2038 PWs) bands (ev): -11.0716 -11.0716 -11.0716 -11.0716 -10.9843 -10.9843 -10.9835 -10.9835 -10.0636 -10.0636 -10.0635 -10.0635 -9.9566 -9.9566 -9.9553 -9.9553 -9.9334 -9.9334 -9.9320 -9.9320 3.4244 3.4244 3.4351 3.4351 6.1128 6.1128 6.1134 6.1134 15.7594 15.7594 16.2925 16.2925 20.4703 20.4703 20.4799 20.4799 k =-0.5000 0.1929 0.5359 ( 2038 PWs) bands (ev): -11.0716 -11.0716 -11.0716 -11.0716 -10.9839 -10.9839 -10.9839 -10.9839 -10.0636 -10.0636 -10.0636 -10.0636 -9.9560 -9.9560 -9.9560 -9.9560 -9.9327 -9.9327 -9.9326 -9.9326 3.4283 3.4283 3.4283 3.4283 6.1114 6.1114 6.1114 6.1114 16.0276 16.0276 16.0276 16.0276 20.4755 20.4755 20.4755 20.4755 k = 0.0000 0.0000 0.5359 ( 2070 PWs) bands (ev): -11.0568 -11.0568 -11.0568 -11.0568 -11.0087 -11.0087 -11.0087 -11.0087 -10.0636 -10.0636 -10.0636 -10.0636 -9.9766 -9.9766 -9.9766 -9.9766 -9.9027 -9.9027 -9.9027 -9.9027 2.0503 2.0503 2.0503 2.0503 11.5506 11.5506 11.5506 11.5506 12.6228 12.6228 12.6228 12.6228 17.0621 17.0621 17.0621 17.0621 k = 0.0050 0.0130 0.5359 ( 2070 PWs) bands (ev): -11.0569 -11.0569 -11.0566 -11.0566 -11.0089 -11.0089 -11.0085 -11.0085 -10.0645 -10.0644 -10.0626 -10.0626 -9.9779 -9.9779 -9.9753 -9.9753 -9.9032 -9.9032 -9.9024 -9.9024 2.0517 2.0517 2.0519 2.0519 11.5498 11.5498 11.5533 11.5533 12.6225 12.6225 12.6257 12.6257 17.0385 17.0385 17.0387 17.0387 k = 0.0100 0.0259 0.5359 ( 2062 PWs) bands (ev): -11.0568 -11.0568 -11.0562 -11.0562 -11.0091 -11.0091 -11.0083 -11.0083 -10.0652 -10.0652 -10.0614 -10.0614 -9.9793 -9.9792 -9.9740 -9.9740 -9.9036 -9.9036 -9.9020 -9.9020 2.0561 2.0561 2.0566 2.0566 11.5507 11.5507 11.5579 11.5579 12.6250 12.6250 12.6313 12.6313 16.9701 16.9701 16.9704 16.9704 k = 0.0150 0.0389 0.5359 ( 2054 PWs) bands (ev): -11.0567 -11.0567 -11.0557 -11.0557 -11.0094 -11.0094 -11.0082 -11.0081 -10.0659 -10.0659 -10.0602 -10.0602 -9.9805 -9.9805 -9.9728 -9.9728 -9.9041 -9.9041 -9.9018 -9.9018 2.0636 2.0636 2.0643 2.0643 11.5534 11.5534 11.5642 11.5642 12.6301 12.6301 12.6397 12.6397 16.8621 16.8621 16.8625 16.8625 k = 0.0200 0.0518 0.5359 ( 2052 PWs) bands (ev): -11.0564 -11.0564 -11.0552 -11.0551 -11.0096 -11.0096 -11.0080 -11.0080 -10.0664 -10.0664 -10.0589 -10.0589 -9.9818 -9.9818 -9.9715 -9.9715 -9.9047 -9.9047 -9.9016 -9.9016 2.0741 2.0741 2.0751 2.0751 11.5577 11.5577 11.5723 11.5723 12.6379 12.6379 12.6508 12.6508 16.7216 16.7216 16.7221 16.7221 k = 0.0250 0.0648 0.5359 ( 2052 PWs) bands (ev): -11.0561 -11.0561 -11.0544 -11.0544 -11.0099 -11.0099 -11.0078 -11.0078 -10.0668 -10.0668 -10.0574 -10.0574 -9.9831 -9.9831 -9.9703 -9.9703 -9.9052 -9.9052 -9.9015 -9.9015 2.0877 2.0877 2.0889 2.0889 11.5636 11.5636 11.5820 11.5820 12.6483 12.6483 12.6646 12.6646 16.5558 16.5558 16.5564 16.5564 k = 0.0300 0.0778 0.5359 ( 2052 PWs) bands (ev): -11.0556 -11.0556 -11.0536 -11.0536 -11.0101 -11.0101 -11.0076 -11.0076 -10.0671 -10.0671 -10.0559 -10.0559 -9.9843 -9.9843 -9.9692 -9.9692 -9.9058 -9.9058 -9.9014 -9.9014 2.1042 2.1042 2.1057 2.1057 11.5709 11.5709 11.5931 11.5931 12.6612 12.6612 12.6811 12.6811 16.3712 16.3712 16.3718 16.3718 k = 0.0350 0.0907 0.5359 ( 2056 PWs) bands (ev): -11.0550 -11.0550 -11.0527 -11.0527 -11.0104 -11.0104 -11.0075 -11.0075 -10.0673 -10.0673 -10.0543 -10.0543 -9.9855 -9.9855 -9.9681 -9.9681 -9.9063 -9.9063 -9.9014 -9.9014 2.1238 2.1238 2.1255 2.1255 11.5792 11.5792 11.6055 11.6055 12.6768 12.6768 12.7004 12.7004 16.1730 16.1730 16.1735 16.1735 k = 0.0400 0.1037 0.5359 ( 2054 PWs) bands (ev): -11.0544 -11.0544 -11.0516 -11.0516 -11.0107 -11.0107 -11.0073 -11.0073 -10.0673 -10.0673 -10.0526 -10.0526 -9.9866 -9.9866 -9.9671 -9.9671 -9.9069 -9.9069 -9.9015 -9.9015 2.1465 2.1465 2.1484 2.1484 11.5885 11.5885 11.6190 11.6190 12.6948 12.6948 12.7224 12.7224 15.9655 15.9655 15.9659 15.9659 k = 0.0450 0.1167 0.5359 ( 2042 PWs) bands (ev): -11.0537 -11.0537 -11.0505 -11.0505 -11.0111 -11.0110 -11.0071 -11.0071 -10.0673 -10.0673 -10.0508 -10.0508 -9.9877 -9.9877 -9.9662 -9.9662 -9.9073 -9.9073 -9.9016 -9.9016 2.1721 2.1721 2.1744 2.1744 11.5983 11.5983 11.6331 11.6331 12.7152 12.7152 12.7471 12.7471 15.7522 15.7522 15.7522 15.7522 k = 0.0500 0.1296 0.5359 ( 2042 PWs) bands (ev): -11.0529 -11.0529 -11.0493 -11.0493 -11.0114 -11.0114 -11.0069 -11.0069 -10.0671 -10.0671 -10.0489 -10.0489 -9.9887 -9.9887 -9.9654 -9.9654 -9.9077 -9.9077 -9.9018 -9.9018 2.2008 2.2008 2.2033 2.2033 11.6081 11.6081 11.6476 11.6476 12.7380 12.7380 12.7745 12.7745 15.5354 15.5354 15.5357 15.5357 k = 0.0550 0.1426 0.5359 ( 2038 PWs) bands (ev): -11.0521 -11.0520 -11.0480 -11.0480 -11.0117 -11.0117 -11.0067 -11.0067 -10.0668 -10.0668 -10.0470 -10.0470 -9.9897 -9.9897 -9.9647 -9.9647 -9.9080 -9.9080 -9.9020 -9.9020 2.2325 2.2325 2.2353 2.2353 11.6175 11.6175 11.6617 11.6617 12.7631 12.7631 12.8047 12.8047 15.3176 15.3176 15.3186 15.3186 k = 0.0600 0.1555 0.5359 ( 2038 PWs) bands (ev): -11.0512 -11.0512 -11.0466 -11.0466 -11.0121 -11.0121 -11.0065 -11.0065 -10.0664 -10.0664 -10.0451 -10.0451 -9.9905 -9.9905 -9.9641 -9.9641 -9.9082 -9.9082 -9.9023 -9.9023 2.2673 2.2673 2.2703 2.2703 11.6256 11.6256 11.6748 11.6748 12.7903 12.7903 12.8375 12.8375 15.1009 15.1009 15.1029 15.1029 k = 0.0650 0.1685 0.5359 ( 2048 PWs) bands (ev): -11.0503 -11.0503 -11.0451 -11.0451 -11.0125 -11.0125 -11.0062 -11.0062 -10.0658 -10.0658 -10.0431 -10.0431 -9.9912 -9.9912 -9.9638 -9.9638 -9.9083 -9.9083 -9.9026 -9.9026 2.3050 2.3050 2.3083 2.3083 11.6317 11.6317 11.6859 11.6859 12.8196 12.8196 12.8730 12.8730 14.8874 14.8874 14.8908 14.8908 k = 0.0700 0.1815 0.5359 ( 2040 PWs) bands (ev): -11.0494 -11.0494 -11.0436 -11.0436 -11.0129 -11.0129 -11.0059 -11.0059 -10.0652 -10.0652 -10.0412 -10.0412 -9.9918 -9.9918 -9.9636 -9.9635 -9.9082 -9.9082 -9.9030 -9.9030 2.3457 2.3457 2.3493 2.3493 11.6344 11.6344 11.6940 11.6940 12.8506 12.8506 12.9112 12.9112 14.6789 14.6789 14.6845 14.6845 k = 0.0750 0.1944 0.5359 ( 2040 PWs) bands (ev): -11.0485 -11.0485 -11.0421 -11.0421 -11.0133 -11.0133 -11.0056 -11.0056 -10.0645 -10.0645 -10.0393 -10.0393 -9.9922 -9.9922 -9.9635 -9.9635 -9.9079 -9.9079 -9.9034 -9.9034 2.3894 2.3894 2.3933 2.3933 11.6325 11.6325 11.6974 11.6974 12.8832 12.8832 12.9520 12.9520 14.4775 14.4775 14.4863 14.4863 k = 0.0800 0.2074 0.5359 ( 2040 PWs) bands (ev): -11.0476 -11.0476 -11.0405 -11.0405 -11.0137 -11.0137 -11.0053 -11.0053 -10.0637 -10.0637 -10.0375 -10.0375 -9.9924 -9.9924 -9.9637 -9.9637 -9.9075 -9.9075 -9.9038 -9.9038 2.4361 2.4361 2.4403 2.4404 11.6242 11.6242 11.6943 11.6943 12.9170 12.9170 12.9954 12.9954 14.2854 14.2854 14.2991 14.2991 k = 0.0850 0.2203 0.5359 ( 2052 PWs) bands (ev): -11.0467 -11.0467 -11.0389 -11.0389 -11.0141 -11.0141 -11.0049 -11.0049 -10.0628 -10.0628 -10.0358 -10.0358 -9.9923 -9.9923 -9.9640 -9.9640 -9.9069 -9.9069 -9.9043 -9.9043 2.4858 2.4858 2.4903 2.4903 11.6073 11.6073 11.6822 11.6822 12.9515 12.9515 13.0414 13.0414 14.1054 14.1054 14.1260 14.1260 k = 0.0900 0.2333 0.5359 ( 2052 PWs) bands (ev): -11.0459 -11.0459 -11.0373 -11.0373 -11.0146 -11.0146 -11.0045 -11.0045 -10.0618 -10.0618 -10.0343 -10.0343 -9.9920 -9.9920 -9.9645 -9.9645 -9.9060 -9.9060 -9.9048 -9.9048 2.5384 2.5384 2.5433 2.5433 11.5795 11.5795 11.6584 11.6584 12.9861 12.9861 13.0898 13.0898 13.9400 13.9400 13.9708 13.9708 k = 0.0950 0.2463 0.5359 ( 2052 PWs) bands (ev): -11.0451 -11.0451 -11.0357 -11.0357 -11.0150 -11.0150 -11.0040 -11.0040 -10.0608 -10.0608 -10.0331 -10.0331 -9.9913 -9.9913 -9.9651 -9.9651 -9.9052 -9.9052 -9.9050 -9.9050 2.5940 2.5940 2.5992 2.5992 11.5380 11.5380 11.6199 11.6199 13.0198 13.0198 13.1406 13.1406 13.7923 13.7923 13.8375 13.8375 k = 0.1000 0.2592 0.5359 ( 2052 PWs) bands (ev): -11.0444 -11.0444 -11.0341 -11.0341 -11.0155 -11.0155 -11.0035 -11.0035 -10.0597 -10.0597 -10.0321 -10.0321 -9.9903 -9.9903 -9.9659 -9.9659 -9.9057 -9.9057 -9.9039 -9.9039 2.6525 2.6525 2.6581 2.6581 11.4806 11.4806 11.5638 11.5638 13.0519 13.0519 13.1935 13.1935 13.6651 13.6651 13.7302 13.7303 k = 0.1050 0.2722 0.5359 ( 2046 PWs) bands (ev): -11.0437 -11.0437 -11.0325 -11.0325 -11.0159 -11.0159 -11.0030 -11.0030 -10.0586 -10.0586 -10.0313 -10.0313 -9.9889 -9.9889 -9.9668 -9.9668 -9.9062 -9.9062 -9.9025 -9.9025 2.7139 2.7139 2.7199 2.7199 11.4052 11.4052 11.4880 11.4880 13.0812 13.0812 13.2481 13.2481 13.5610 13.5610 13.6520 13.6520 k = 0.1100 0.2852 0.5359 ( 2042 PWs) bands (ev): -11.0431 -11.0431 -11.0310 -11.0309 -11.0164 -11.0164 -11.0024 -11.0024 -10.0574 -10.0574 -10.0308 -10.0308 -9.9872 -9.9872 -9.9679 -9.9679 -9.9068 -9.9068 -9.9010 -9.9010 2.7781 2.7781 2.7846 2.7846 11.3110 11.3110 11.3918 11.3918 13.1078 13.1078 13.3025 13.3025 13.4828 13.4828 13.6040 13.6040 k = 0.1150 0.2981 0.5359 ( 2042 PWs) bands (ev): -11.0426 -11.0426 -11.0294 -11.0294 -11.0169 -11.0169 -11.0018 -11.0018 -10.0562 -10.0562 -10.0306 -10.0306 -9.9851 -9.9851 -9.9690 -9.9690 -9.9073 -9.9073 -9.8994 -9.8994 2.8452 2.8452 2.8521 2.8521 11.1984 11.1984 11.2759 11.2759 13.1325 13.1325 13.3474 13.3474 13.4394 13.4394 13.5844 13.5844 k = 0.1200 0.3111 0.5359 ( 2042 PWs) bands (ev): -11.0422 -11.0422 -11.0279 -11.0279 -11.0173 -11.0173 -11.0012 -11.0012 -10.0550 -10.0550 -10.0306 -10.0306 -9.9827 -9.9827 -9.9702 -9.9702 -9.9078 -9.9078 -9.8976 -9.8976 2.9152 2.9152 2.9225 2.9225 11.0689 11.0689 11.1422 11.1422 13.1580 13.1580 13.3534 13.3534 13.4587 13.4587 13.5887 13.5887 k = 0.1250 0.3240 0.5359 ( 2034 PWs) bands (ev): -11.0418 -11.0418 -11.0265 -11.0265 -11.0178 -11.0178 -11.0005 -11.0005 -10.0538 -10.0538 -10.0309 -10.0309 -9.9801 -9.9801 -9.9714 -9.9714 -9.9082 -9.9082 -9.8957 -9.8957 2.9878 2.9879 2.9957 2.9957 10.9247 10.9247 10.9936 10.9936 13.1868 13.1868 13.3439 13.3439 13.5152 13.5152 13.6115 13.6115 k = 0.1300 0.3370 0.5359 ( 2034 PWs) bands (ev): -11.0415 -11.0415 -11.0252 -11.0252 -11.0182 -11.0182 -10.9999 -10.9999 -10.0526 -10.0526 -10.0313 -10.0313 -9.9772 -9.9772 -9.9726 -9.9726 -9.9087 -9.9087 -9.8938 -9.8938 3.0633 3.0633 3.0716 3.0716 10.7685 10.7685 10.8332 10.8332 13.2211 13.2211 13.3445 13.3445 13.5804 13.5804 13.6476 13.6476 k = 0.1350 0.3500 0.5359 ( 2038 PWs) bands (ev): -11.0412 -11.0412 -11.0239 -11.0239 -11.0186 -11.0186 -10.9992 -10.9992 -10.0514 -10.0514 -10.0318 -10.0318 -9.9742 -9.9742 -9.9739 -9.9739 -9.9092 -9.9092 -9.8917 -9.8917 3.1413 3.1413 3.1502 3.1502 10.6029 10.6029 10.6638 10.6638 13.2617 13.2617 13.3575 13.3575 13.6495 13.6495 13.6932 13.6932 k = 0.1400 0.3629 0.5359 ( 2038 PWs) bands (ev): -11.0410 -11.0410 -11.0228 -11.0228 -11.0189 -11.0189 -10.9985 -10.9985 -10.0503 -10.0503 -10.0325 -10.0325 -9.9751 -9.9751 -9.9710 -9.9710 -9.9096 -9.9096 -9.8896 -9.8896 3.2220 3.2220 3.2315 3.2315 10.4304 10.4304 10.4878 10.4878 13.3087 13.3087 13.3815 13.3815 13.7214 13.7214 13.7458 13.7458 k = 0.1450 0.3759 0.5359 ( 2042 PWs) bands (ev): -11.0409 -11.0409 -11.0219 -11.0219 -11.0190 -11.0190 -10.9978 -10.9978 -10.0492 -10.0492 -10.0333 -10.0333 -9.9763 -9.9763 -9.9677 -9.9677 -9.9101 -9.9101 -9.8874 -9.8874 3.3052 3.3052 3.3153 3.3153 10.2529 10.2529 10.3074 10.3074 13.3616 13.3616 13.4147 13.4147 13.7956 13.7956 13.8035 13.8035 k = 0.1500 0.3888 0.5359 ( 2038 PWs) bands (ev): -11.0408 -11.0408 -11.0215 -11.0215 -11.0187 -11.0187 -10.9971 -10.9971 -10.0482 -10.0482 -10.0341 -10.0341 -9.9774 -9.9774 -9.9643 -9.9643 -9.9105 -9.9105 -9.8852 -9.8852 3.3907 3.3908 3.4016 3.4016 10.0721 10.0721 10.1243 10.1243 13.4199 13.4199 13.4557 13.4557 13.8651 13.8651 13.8719 13.8719 k = 0.1550 0.4018 0.5359 ( 2038 PWs) bands (ev): -11.0408 -11.0408 -11.0215 -11.0215 -11.0181 -11.0181 -10.9965 -10.9965 -10.0473 -10.0473 -10.0349 -10.0349 -9.9785 -9.9785 -9.9609 -9.9609 -9.9109 -9.9109 -9.8830 -9.8830 3.4786 3.4786 3.4903 3.4903 9.8895 9.8895 9.9397 9.9397 13.4829 13.4829 13.5030 13.5030 13.9297 13.9297 13.9500 13.9500 k = 0.1600 0.4148 0.5359 ( 2032 PWs) bands (ev): -11.0408 -11.0408 -11.0218 -11.0218 -11.0172 -11.0172 -10.9958 -10.9958 -10.0464 -10.0464 -10.0358 -10.0358 -9.9795 -9.9795 -9.9575 -9.9575 -9.9113 -9.9113 -9.8807 -9.8807 3.5687 3.5687 3.5812 3.5812 9.7063 9.7063 9.7550 9.7550 13.5499 13.5499 13.5554 13.5554 13.9966 13.9966 14.0298 14.0298 k = 0.1650 0.4277 0.5359 ( 2026 PWs) bands (ev): -11.0408 -11.0408 -11.0221 -11.0221 -11.0164 -11.0164 -10.9952 -10.9952 -10.0456 -10.0456 -10.0368 -10.0368 -9.9805 -9.9805 -9.9541 -9.9541 -9.9116 -9.9116 -9.8785 -9.8785 3.6608 3.6608 3.6742 3.6742 9.5234 9.5234 9.5709 9.5709 13.6120 13.6120 13.6203 13.6203 14.0653 14.0653 14.1111 14.1111 k = 0.1700 0.4407 0.5359 ( 2026 PWs) bands (ev): -11.0409 -11.0409 -11.0225 -11.0225 -11.0155 -11.0155 -10.9946 -10.9946 -10.0450 -10.0450 -10.0377 -10.0377 -9.9813 -9.9813 -9.9508 -9.9508 -9.9120 -9.9120 -9.8763 -9.8763 3.7547 3.7547 3.7691 3.7691 9.3417 9.3417 9.3884 9.3884 13.6718 13.6718 13.6935 13.6935 14.1353 14.1353 14.1936 14.1936 k = 0.1750 0.4537 0.5359 ( 2022 PWs) bands (ev): -11.0410 -11.0410 -11.0229 -11.0229 -11.0147 -11.0147 -10.9940 -10.9940 -10.0444 -10.0444 -10.0386 -10.0386 -9.9821 -9.9821 -9.9475 -9.9475 -9.9123 -9.9123 -9.8741 -9.8741 3.8502 3.8502 3.8656 3.8656 9.1619 9.1619 9.2082 9.2082 13.7340 13.7340 13.7688 13.7688 14.2060 14.2060 14.2771 14.2771 k = 0.1800 0.4666 0.5359 ( 2034 PWs) bands (ev): -11.0411 -11.0411 -11.0232 -11.0232 -11.0140 -11.0140 -10.9935 -10.9935 -10.0439 -10.0439 -10.0395 -10.0395 -9.9827 -9.9827 -9.9443 -9.9443 -9.9126 -9.9126 -9.8720 -9.8720 3.9469 3.9470 3.9636 3.9636 8.9847 8.9848 9.0309 9.0309 13.7978 13.7978 13.8458 13.8458 14.2769 14.2769 14.3613 14.3613 k = 0.1850 0.4796 0.5359 ( 2032 PWs) bands (ev): -11.0413 -11.0413 -11.0236 -11.0236 -11.0133 -11.0133 -10.9930 -10.9930 -10.0435 -10.0435 -10.0404 -10.0404 -9.9833 -9.9833 -9.9413 -9.9412 -9.9129 -9.9129 -9.8699 -9.8699 4.0447 4.0447 4.0626 4.0626 8.8110 8.8110 8.8573 8.8573 13.8625 13.8625 13.9239 13.9239 14.3476 14.3476 14.4457 14.4457 k = 0.1900 0.4925 0.5359 ( 2032 PWs) bands (ev): -11.0414 -11.0414 -11.0239 -11.0239 -11.0127 -11.0127 -10.9925 -10.9925 -10.0431 -10.0431 -10.0412 -10.0412 -9.9838 -9.9838 -9.9383 -9.9383 -9.9131 -9.9131 -9.8680 -9.8680 4.1429 4.1429 4.1623 4.1623 8.6412 8.6412 8.6880 8.6880 13.9274 13.9274 14.0023 14.0023 14.4175 14.4175 14.5299 14.5299 k = 0.1950 0.5055 0.5359 ( 2032 PWs) bands (ev): -11.0415 -11.0415 -11.0242 -11.0242 -11.0121 -11.0121 -10.9921 -10.9921 -10.0429 -10.0429 -10.0420 -10.0420 -9.9842 -9.9842 -9.9355 -9.9355 -9.9134 -9.9134 -9.8661 -9.8661 4.2411 4.2411 4.2622 4.2622 8.4763 8.4763 8.5238 8.5238 13.9917 13.9917 14.0804 14.0804 14.4859 14.4859 14.6135 14.6135 k = 0.2000 0.5185 0.5359 ( 2030 PWs) bands (ev): -11.0417 -11.0417 -11.0245 -11.0245 -11.0116 -11.0116 -10.9917 -10.9917 -10.0427 -10.0427 -10.0427 -10.0427 -9.9845 -9.9845 -9.9329 -9.9329 -9.9136 -9.9136 -9.8643 -9.8643 4.3387 4.3387 4.3615 4.3615 8.3170 8.3170 8.3655 8.3655 14.0546 14.0546 14.1575 14.1575 14.5522 14.5522 14.6958 14.6958 k = 0.2050 0.5314 0.5359 ( 2030 PWs) bands (ev): -11.0418 -11.0418 -11.0248 -11.0248 -11.0111 -11.0111 -10.9913 -10.9913 -10.0434 -10.0434 -10.0426 -10.0426 -9.9848 -9.9848 -9.9304 -9.9304 -9.9139 -9.9139 -9.8627 -9.8627 4.4347 4.4347 4.4595 4.4595 8.1643 8.1643 8.2141 8.2141 14.1154 14.1154 14.2327 14.2327 14.6157 14.6157 14.7760 14.7760 k = 0.2100 0.5444 0.5359 ( 2030 PWs) bands (ev): -11.0420 -11.0420 -11.0251 -11.0251 -11.0107 -11.0107 -10.9910 -10.9910 -10.0440 -10.0440 -10.0425 -10.0425 -9.9850 -9.9850 -9.9282 -9.9282 -9.9141 -9.9141 -9.8612 -9.8612 4.5283 4.5283 4.5552 4.5552 8.0193 8.0193 8.0707 8.0707 14.1732 14.1732 14.3051 14.3051 14.6756 14.6756 14.8532 14.8532 k = 0.2150 0.5573 0.5359 ( 2034 PWs) bands (ev): -11.0421 -11.0421 -11.0253 -11.0253 -11.0104 -11.0104 -10.9907 -10.9907 -10.0446 -10.0446 -10.0425 -10.0425 -9.9851 -9.9851 -9.9261 -9.9261 -9.9144 -9.9144 -9.8598 -9.8598 4.6181 4.6181 4.6474 4.6474 7.8835 7.8835 7.9368 7.9368 14.2272 14.2272 14.3736 14.3736 14.7310 14.7310 14.9264 14.9264 k = 0.2200 0.5703 0.5359 ( 2034 PWs) bands (ev): -11.0422 -11.0422 -11.0255 -11.0255 -11.0101 -11.0101 -10.9905 -10.9905 -10.0451 -10.0451 -10.0425 -10.0425 -9.9853 -9.9853 -9.9242 -9.9242 -9.9146 -9.9146 -9.8587 -9.8586 4.7027 4.7027 4.7344 4.7344 7.7585 7.7585 7.8138 7.8138 14.2764 14.2764 14.4371 14.4371 14.7811 14.7811 14.9944 14.9944 k = 0.2250 0.5833 0.5359 ( 2038 PWs) bands (ev): -11.0423 -11.0423 -11.0257 -11.0257 -11.0098 -11.0098 -10.9903 -10.9903 -10.0455 -10.0455 -10.0425 -10.0425 -9.9854 -9.9853 -9.9226 -9.9226 -9.9149 -9.9149 -9.8576 -9.8576 4.7801 4.7801 4.8144 4.8144 7.6462 7.6462 7.7037 7.7037 14.3199 14.3199 14.4943 14.4943 14.8251 14.8251 15.0557 15.0557 k = 0.2300 0.5962 0.5359 ( 2038 PWs) bands (ev): -11.0424 -11.0424 -11.0258 -11.0258 -11.0096 -11.0096 -10.9901 -10.9901 -10.0459 -10.0459 -10.0425 -10.0425 -9.9854 -9.9854 -9.9211 -9.9211 -9.9152 -9.9152 -9.8568 -9.8568 4.8483 4.8483 4.8851 4.8851 7.5490 7.5490 7.6088 7.6088 14.3570 14.3570 14.5438 14.5438 14.8621 14.8621 15.1090 15.1090 k = 0.2350 0.6092 0.5359 ( 2034 PWs) bands (ev): -11.0425 -11.0425 -11.0259 -11.0259 -11.0094 -11.0094 -10.9900 -10.9900 -10.0462 -10.0462 -10.0425 -10.0425 -9.9855 -9.9854 -9.9199 -9.9199 -9.9156 -9.9155 -9.8561 -9.8561 4.9049 4.9049 4.9441 4.9441 7.4694 7.4694 7.5313 7.5313 14.3868 14.3868 14.5842 14.5842 14.8916 14.8916 15.1525 15.1525 k = 0.2400 0.6222 0.5359 ( 2038 PWs) bands (ev): -11.0425 -11.0425 -11.0260 -11.0260 -11.0093 -11.0093 -10.9899 -10.9899 -10.0464 -10.0464 -10.0425 -10.0425 -9.9855 -9.9855 -9.9188 -9.9188 -9.9160 -9.9160 -9.8556 -9.8556 4.9476 4.9476 4.9886 4.9886 7.4100 7.4100 7.4737 7.4737 14.4086 14.4086 14.6143 14.6143 14.9129 14.9129 15.1849 15.1849 k = 0.2450 0.6351 0.5359 ( 2044 PWs) bands (ev): -11.0426 -11.0426 -11.0261 -11.0260 -11.0093 -11.0093 -10.9899 -10.9899 -10.0465 -10.0465 -10.0426 -10.0426 -9.9855 -9.9855 -9.9179 -9.9179 -9.9165 -9.9165 -9.8553 -9.8553 4.9741 4.9741 5.0165 5.0165 7.3733 7.3733 7.4382 7.4382 14.4219 14.4219 14.6328 14.6328 14.9259 14.9259 15.2049 15.2049 k = 0.2500 0.6481 0.5359 ( 2044 PWs) bands (ev): -11.0426 -11.0426 -11.0261 -11.0261 -11.0092 -11.0092 -10.9898 -10.9898 -10.0465 -10.0465 -10.0426 -10.0426 -9.9855 -9.9855 -9.9174 -9.9174 -9.9169 -9.9169 -9.8552 -9.8552 4.9832 4.9832 5.0260 5.0260 7.3608 7.3608 7.4261 7.4261 14.4264 14.4264 14.6390 14.6390 14.9302 14.9302 15.2117 15.2117 Writing output data file Sn.save init_run : 0.33s CPU 1.03s WALL ( 1 calls) electrons : 67.10s CPU 71.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.37s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 67.10s CPU 71.63s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 390 calls) cegterg : 61.07s CPU 61.99s WALL ( 408 calls) Called by sum_band: Called by *egterg: h_psi : 38.95s CPU 39.50s WALL ( 5728 calls) s_psi : 1.08s CPU 1.13s WALL ( 5728 calls) g_psi : 0.07s CPU 0.07s WALL ( 4930 calls) cdiaghg : 21.55s CPU 22.07s WALL ( 5320 calls) cegterg:over : 1.80s CPU 1.71s WALL ( 4930 calls) cegterg:upda : 1.05s CPU 1.13s WALL ( 4930 calls) cegterg:last : 0.80s CPU 0.80s WALL ( 1147 calls) cdiaghg:chol : 0.97s CPU 1.12s WALL ( 5320 calls) cdiaghg:inve : 0.60s CPU 0.62s WALL ( 5320 calls) cdiaghg:para : 1.27s CPU 1.30s WALL ( 10640 calls) Called by h_psi: h_psi:vloc : 36.25s CPU 36.73s WALL ( 5728 calls) h_psi:vnl : 2.64s CPU 2.74s WALL ( 5728 calls) add_vuspsi : 1.45s CPU 1.51s WALL ( 5728 calls) General routines calbec : 1.18s CPU 1.22s WALL ( 5728 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.10s CPU 34.60s WALL ( 481420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.12s WALL ( 780 calls) Parallel routines fft_scatter : 11.56s CPU 11.76s WALL ( 481443 calls) PWSCF : 1m18.35s CPU 2m18.25s WALL This run was terminated on: 21:21:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=