Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:28:35 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H4C4BrN.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 32 9 2293 1081 160 Max 53 33 10 2299 1112 164 Sum 3813 2335 649 165399 79067 11617 bravais-lattice index = 14 lattice parameter (alat) = 13.0065 a.u. unit-cell volume = 1656.2012 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.006533 celldm(2)= 1.000000 celldm(3)= 0.938141 celldm(4)= 0.326344 celldm(5)= 0.326344 celldm(6)= 0.499675 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.499675 0.866213 0.000000 ) a(3) = ( 0.306157 0.176837 0.868968 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.576850 -0.234933 ) b(2) = ( 0.000000 1.154450 -0.234933 ) b(3) = ( 0.000000 0.000000 1.150791 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 244 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 2) = ( 0.0172414 0.0099586 -0.0081011), wk = 0.0040984 k( 3) = ( 0.0344828 0.0199173 -0.0162023), wk = 0.0040984 k( 4) = ( 0.0517241 0.0298759 -0.0243034), wk = 0.0040984 k( 5) = ( 0.0689655 0.0398345 -0.0324045), wk = 0.0040984 k( 6) = ( 0.0862069 0.0497932 -0.0405057), wk = 0.0040984 k( 7) = ( 0.1034483 0.0597518 -0.0486068), wk = 0.0040984 k( 8) = ( 0.1206897 0.0697104 -0.0567079), wk = 0.0040984 k( 9) = ( 0.1379310 0.0796691 -0.0648090), wk = 0.0040984 k( 10) = ( 0.1551724 0.0896277 -0.0729102), wk = 0.0040984 k( 11) = ( 0.1724138 0.0995863 -0.0810113), wk = 0.0040984 k( 12) = ( 0.1896552 0.1095450 -0.0891124), wk = 0.0040984 k( 13) = ( 0.2068966 0.1195036 -0.0972136), wk = 0.0040984 k( 14) = ( 0.2241379 0.1294622 -0.1053147), wk = 0.0040984 k( 15) = ( 0.2413793 0.1394209 -0.1134158), wk = 0.0040984 k( 16) = ( 0.2586207 0.1493795 -0.1215169), wk = 0.0040984 k( 17) = ( 0.2758621 0.1593381 -0.1296181), wk = 0.0040984 k( 18) = ( 0.2931034 0.1692967 -0.1377192), wk = 0.0040984 k( 19) = ( 0.3103448 0.1792554 -0.1458203), wk = 0.0040984 k( 20) = ( 0.3275862 0.1892140 -0.1539215), wk = 0.0040984 k( 21) = ( 0.3448276 0.1991726 -0.1620226), wk = 0.0040984 k( 22) = ( 0.3620690 0.2091313 -0.1701237), wk = 0.0040984 k( 23) = ( 0.3793103 0.2190899 -0.1782249), wk = 0.0040984 k( 24) = ( 0.3965517 0.2290485 -0.1863260), wk = 0.0040984 k( 25) = ( 0.4137931 0.2390072 -0.1944271), wk = 0.0040984 k( 26) = ( 0.4310345 0.2489658 -0.2025282), wk = 0.0040984 k( 27) = ( 0.4482759 0.2589244 -0.2106294), wk = 0.0040984 k( 28) = ( 0.4655172 0.2688831 -0.2187305), wk = 0.0040984 k( 29) = ( 0.4827586 0.2788417 -0.2268316), wk = 0.0040984 k( 30) = ( 0.5000000 0.2888003 -0.2349328), wk = 0.0040984 k( 31) = ( 0.5000000 0.2888003 -0.2349328), wk = 0.0040984 k( 32) = ( 0.5070560 0.2928759 -0.2149056), wk = 0.0040984 k( 33) = ( 0.5141121 0.2969515 -0.1948784), wk = 0.0040984 k( 34) = ( 0.5211681 0.3010271 -0.1748511), wk = 0.0040984 k( 35) = ( 0.5282242 0.3051026 -0.1548239), wk = 0.0040984 k( 36) = ( 0.5352802 0.3091782 -0.1347967), wk = 0.0040984 k( 37) = ( 0.5423362 0.3132538 -0.1147695), wk = 0.0040984 k( 38) = ( 0.5493923 0.3173294 -0.0947423), wk = 0.0040984 k( 39) = ( 0.5564483 0.3214049 -0.0747151), wk = 0.0040984 k( 40) = ( 0.5635044 0.3254805 -0.0546879), wk = 0.0040984 k( 41) = ( 0.5705604 0.3295561 -0.0346607), wk = 0.0040984 k( 42) = ( 0.5776164 0.3336316 -0.0146335), wk = 0.0040984 k( 43) = ( 0.5846725 0.3377072 0.0053938), wk = 0.0040984 k( 44) = ( 0.5917285 0.3417828 0.0254210), wk = 0.0040984 k( 45) = ( 0.5987846 0.3458584 0.0454482), wk = 0.0040984 k( 46) = ( 0.6058406 0.3499339 0.0654754), wk = 0.0040984 k( 47) = ( 0.6128967 0.3540095 0.0855026), wk = 0.0040984 k( 48) = ( 0.6199527 0.3580851 0.1055298), wk = 0.0040984 k( 49) = ( 0.6199527 0.3580851 0.1055298), wk = 0.0040984 k( 50) = ( 0.6107256 0.3527555 0.1236016), wk = 0.0040984 k( 51) = ( 0.6014984 0.3474259 0.1416733), wk = 0.0040984 k( 52) = ( 0.5922713 0.3420963 0.1597451), wk = 0.0040984 k( 53) = ( 0.5830442 0.3367667 0.1778168), wk = 0.0040984 k( 54) = ( 0.5738171 0.3314371 0.1958886), wk = 0.0040984 k( 55) = ( 0.5645899 0.3261075 0.2139603), wk = 0.0040984 k( 56) = ( 0.5553628 0.3207779 0.2320321), wk = 0.0040984 k( 57) = ( 0.5461356 0.3154483 0.2501038), wk = 0.0040984 k( 58) = ( 0.5369085 0.3101187 0.2681756), wk = 0.0040984 k( 59) = ( 0.5276814 0.3047891 0.2862473), wk = 0.0040984 k( 60) = ( 0.5184543 0.2994595 0.3043191), wk = 0.0040984 k( 61) = ( 0.5092271 0.2941299 0.3223908), wk = 0.0040984 k( 62) = ( 0.5000000 0.2888003 0.3404626), wk = 0.0040984 k( 63) = ( 0.5000000 0.2888003 0.3404626), wk = 0.0040984 k( 64) = ( 0.5104962 0.2706282 0.3404626), wk = 0.0040984 k( 65) = ( 0.5209924 0.2524561 0.3404626), wk = 0.0040984 k( 66) = ( 0.5314887 0.2342840 0.3404626), wk = 0.0040984 k( 67) = ( 0.5419849 0.2161119 0.3404626), wk = 0.0040984 k( 68) = ( 0.5524811 0.1979398 0.3404626), wk = 0.0040984 k( 69) = ( 0.5629773 0.1797677 0.3404626), wk = 0.0040984 k( 70) = ( 0.5734735 0.1615956 0.3404626), wk = 0.0040984 k( 71) = ( 0.5839698 0.1434235 0.3404626), wk = 0.0040984 k( 72) = ( 0.5944660 0.1252514 0.3404626), wk = 0.0040984 k( 73) = ( 0.6049622 0.1070793 0.3404626), wk = 0.0040984 k( 74) = ( 0.6154584 0.0889072 0.3404626), wk = 0.0040984 k( 75) = ( 0.6259546 0.0707351 0.3404626), wk = 0.0040984 k( 76) = ( 0.6364509 0.0525630 0.3404626), wk = 0.0040984 k( 77) = ( 0.6469471 0.0343909 0.3404626), wk = 0.0040984 k( 78) = ( 0.6574433 0.0162188 0.3404626), wk = 0.0040984 k( 79) = ( 0.6679395 -0.0019533 0.3404626), wk = 0.0040984 k( 80) = ( 0.6784357 -0.0201254 0.3404626), wk = 0.0040984 k( 81) = ( 0.6889320 -0.0382976 0.3404626), wk = 0.0040984 k( 82) = ( 0.6994282 -0.0564697 0.3404626), wk = 0.0040984 k( 83) = ( 0.7099244 -0.0746418 0.3404626), wk = 0.0040984 k( 84) = ( 0.7204206 -0.0928139 0.3404626), wk = 0.0040984 k( 85) = ( 0.2795794 -0.4840358 0.5753953), wk = 0.0040984 k( 86) = ( 0.2688263 -0.4654190 0.5753953), wk = 0.0040984 k( 87) = ( 0.2580733 -0.4468023 0.5753953), wk = 0.0040984 k( 88) = ( 0.2473202 -0.4281855 0.5753953), wk = 0.0040984 k( 89) = ( 0.2365672 -0.4095687 0.5753953), wk = 0.0040984 k( 90) = ( 0.2258141 -0.3909520 0.5753953), wk = 0.0040984 k( 91) = ( 0.2150611 -0.3723352 0.5753953), wk = 0.0040984 k( 92) = ( 0.2043080 -0.3537184 0.5753953), wk = 0.0040984 k( 93) = ( 0.1935550 -0.3351017 0.5753953), wk = 0.0040984 k( 94) = ( 0.1828019 -0.3164849 0.5753953), wk = 0.0040984 k( 95) = ( 0.1720489 -0.2978682 0.5753953), wk = 0.0040984 k( 96) = ( 0.1612958 -0.2792514 0.5753953), wk = 0.0040984 k( 97) = ( 0.1505427 -0.2606346 0.5753953), wk = 0.0040984 k( 98) = ( 0.1397897 -0.2420179 0.5753953), wk = 0.0040984 k( 99) = ( 0.1290366 -0.2234011 0.5753953), wk = 0.0040984 k( 100) = ( 0.1182836 -0.2047844 0.5753953), wk = 0.0040984 k( 101) = ( 0.1075305 -0.1861676 0.5753953), wk = 0.0040984 k( 102) = ( 0.0967775 -0.1675508 0.5753953), wk = 0.0040984 k( 103) = ( 0.0860244 -0.1489341 0.5753953), wk = 0.0040984 k( 104) = ( 0.0752714 -0.1303173 0.5753953), wk = 0.0040984 k( 105) = ( 0.0645183 -0.1117006 0.5753953), wk = 0.0040984 k( 106) = ( 0.0537653 -0.0930838 0.5753953), wk = 0.0040984 k( 107) = ( 0.0430122 -0.0744670 0.5753953), wk = 0.0040984 k( 108) = ( 0.0322592 -0.0558503 0.5753953), wk = 0.0040984 k( 109) = ( 0.0215061 -0.0372335 0.5753953), wk = 0.0040984 k( 110) = ( 0.0107531 -0.0186168 0.5753953), wk = 0.0040984 k( 111) = ( 0.0000000 0.0000000 0.5753953), wk = 0.0040984 k( 112) = ( 0.0000000 0.0000000 0.5753953), wk = 0.0040984 k( 113) = ( 0.0180975 0.0104531 0.5753953), wk = 0.0040984 k( 114) = ( 0.0361950 0.0209062 0.5753953), wk = 0.0040984 k( 115) = ( 0.0542925 0.0313594 0.5753953), wk = 0.0040984 k( 116) = ( 0.0723900 0.0418125 0.5753953), wk = 0.0040984 k( 117) = ( 0.0904874 0.0522656 0.5753953), wk = 0.0040984 k( 118) = ( 0.1085849 0.0627187 0.5753953), wk = 0.0040984 k( 119) = ( 0.1266824 0.0731719 0.5753953), wk = 0.0040984 k( 120) = ( 0.1447799 0.0836250 0.5753953), wk = 0.0040984 k( 121) = ( 0.1628774 0.0940781 0.5753953), wk = 0.0040984 k( 122) = ( 0.1809749 0.1045312 0.5753953), wk = 0.0040984 k( 123) = ( 0.1990724 0.1149843 0.5753953), wk = 0.0040984 k( 124) = ( 0.2171699 0.1254375 0.5753953), wk = 0.0040984 k( 125) = ( 0.2352674 0.1358906 0.5753953), wk = 0.0040984 k( 126) = ( 0.2533649 0.1463437 0.5753953), wk = 0.0040984 k( 127) = ( 0.2714624 0.1567968 0.5753953), wk = 0.0040984 k( 128) = ( 0.2895599 0.1672500 0.5753953), wk = 0.0040984 k( 129) = ( 0.3076573 0.1777031 0.5753953), wk = 0.0040984 k( 130) = ( 0.3257548 0.1881562 0.5753953), wk = 0.0040984 k( 131) = ( 0.3438523 0.1986093 0.5753953), wk = 0.0040984 k( 132) = ( 0.3619498 0.2090625 0.5753953), wk = 0.0040984 k( 133) = ( 0.3800473 0.2195156 0.5753953), wk = 0.0040984 k( 134) = ( 0.5000000 0.2888003 -0.2349328), wk = 0.0040984 k( 135) = ( 0.5109134 0.2699060 -0.2349328), wk = 0.0040984 k( 136) = ( 0.5218267 0.2510117 -0.2349328), wk = 0.0040984 k( 137) = ( 0.5327401 0.2321174 -0.2349328), wk = 0.0040984 k( 138) = ( 0.5436534 0.2132231 -0.2349328), wk = 0.0040984 k( 139) = ( 0.5545668 0.1943288 -0.2349328), wk = 0.0040984 k( 140) = ( 0.5654802 0.1754345 -0.2349328), wk = 0.0040984 k( 141) = ( 0.5763935 0.1565402 -0.2349328), wk = 0.0040984 k( 142) = ( 0.5873069 0.1376459 -0.2349328), wk = 0.0040984 k( 143) = ( 0.5982202 0.1187516 -0.2349328), wk = 0.0040984 k( 144) = ( 0.6091336 0.0998573 -0.2349328), wk = 0.0040984 k( 145) = ( 0.6200470 0.0809630 -0.2349328), wk = 0.0040984 k( 146) = ( 0.6309603 0.0620687 -0.2349328), wk = 0.0040984 k( 147) = ( 0.6418737 0.0431744 -0.2349328), wk = 0.0040984 k( 148) = ( 0.6527870 0.0242801 -0.2349328), wk = 0.0040984 k( 149) = ( 0.3472130 -0.6011298 0.0000000), wk = 0.0040984 k( 150) = ( 0.3363626 -0.5823445 0.0000000), wk = 0.0040984 k( 151) = ( 0.3255122 -0.5635592 0.0000000), wk = 0.0040984 k( 152) = ( 0.3146618 -0.5447739 0.0000000), wk = 0.0040984 k( 153) = ( 0.3038113 -0.5259886 0.0000000), wk = 0.0040984 k( 154) = ( 0.2929609 -0.5072033 0.0000000), wk = 0.0040984 k( 155) = ( 0.2821105 -0.4884179 0.0000000), wk = 0.0040984 k( 156) = ( 0.2712601 -0.4696326 0.0000000), wk = 0.0040984 k( 157) = ( 0.2604097 -0.4508473 0.0000000), wk = 0.0040984 k( 158) = ( 0.2495593 -0.4320620 0.0000000), wk = 0.0040984 k( 159) = ( 0.2387089 -0.4132767 0.0000000), wk = 0.0040984 k( 160) = ( 0.2278585 -0.3944914 0.0000000), wk = 0.0040984 k( 161) = ( 0.2170081 -0.3757061 0.0000000), wk = 0.0040984 k( 162) = ( 0.2061577 -0.3569208 0.0000000), wk = 0.0040984 k( 163) = ( 0.1953073 -0.3381355 0.0000000), wk = 0.0040984 k( 164) = ( 0.1844569 -0.3193502 0.0000000), wk = 0.0040984 k( 165) = ( 0.1736065 -0.3005649 0.0000000), wk = 0.0040984 k( 166) = ( 0.1627561 -0.2817796 0.0000000), wk = 0.0040984 k( 167) = ( 0.1519057 -0.2629943 0.0000000), wk = 0.0040984 k( 168) = ( 0.1410553 -0.2442090 0.0000000), wk = 0.0040984 k( 169) = ( 0.1302049 -0.2254237 0.0000000), wk = 0.0040984 k( 170) = ( 0.1193545 -0.2066384 0.0000000), wk = 0.0040984 k( 171) = ( 0.1085041 -0.1878531 0.0000000), wk = 0.0040984 k( 172) = ( 0.0976536 -0.1690678 0.0000000), wk = 0.0040984 k( 173) = ( 0.0868032 -0.1502824 0.0000000), wk = 0.0040984 k( 174) = ( 0.0759528 -0.1314971 0.0000000), wk = 0.0040984 k( 175) = ( 0.0651024 -0.1127118 0.0000000), wk = 0.0040984 k( 176) = ( 0.0542520 -0.0939265 0.0000000), wk = 0.0040984 k( 177) = ( 0.0434016 -0.0751412 0.0000000), wk = 0.0040984 k( 178) = ( 0.0325512 -0.0563559 0.0000000), wk = 0.0040984 k( 179) = ( 0.0217008 -0.0375706 0.0000000), wk = 0.0040984 k( 180) = ( 0.0108504 -0.0187853 0.0000000), wk = 0.0040984 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 183) = ( 0.0185185 -0.0106824 -0.0043506), wk = 0.0040984 k( 184) = ( 0.0370370 -0.0213648 -0.0087012), wk = 0.0040984 k( 185) = ( 0.0555556 -0.0320472 -0.0130518), wk = 0.0040984 k( 186) = ( 0.0740741 -0.0427296 -0.0174024), wk = 0.0040984 k( 187) = ( 0.0925926 -0.0534120 -0.0217530), wk = 0.0040984 k( 188) = ( 0.1111111 -0.0640944 -0.0261036), wk = 0.0040984 k( 189) = ( 0.1296296 -0.0747768 -0.0304542), wk = 0.0040984 k( 190) = ( 0.1481482 -0.0854592 -0.0348049), wk = 0.0040984 k( 191) = ( 0.1666667 -0.0961416 -0.0391555), wk = 0.0040984 k( 192) = ( 0.1851852 -0.1068240 -0.0435061), wk = 0.0040984 k( 193) = ( 0.2037037 -0.1175064 -0.0478567), wk = 0.0040984 k( 194) = ( 0.2222222 -0.1281888 -0.0522073), wk = 0.0040984 k( 195) = ( 0.2407407 -0.1388712 -0.0565579), wk = 0.0040984 k( 196) = ( 0.2592593 -0.1495536 -0.0609085), wk = 0.0040984 k( 197) = ( 0.2777778 -0.1602360 -0.0652591), wk = 0.0040984 k( 198) = ( 0.2962963 -0.1709184 -0.0696097), wk = 0.0040984 k( 199) = ( 0.3148148 -0.1816008 -0.0739603), wk = 0.0040984 k( 200) = ( 0.3333333 -0.1922832 -0.0783109), wk = 0.0040984 k( 201) = ( 0.3518519 -0.2029656 -0.0826615), wk = 0.0040984 k( 202) = ( 0.3703704 -0.2136480 -0.0870121), wk = 0.0040984 k( 203) = ( 0.3888889 -0.2243304 -0.0913627), wk = 0.0040984 k( 204) = ( 0.4074074 -0.2350128 -0.0957133), wk = 0.0040984 k( 205) = ( 0.4259259 -0.2456952 -0.1000640), wk = 0.0040984 k( 206) = ( 0.4444444 -0.2563776 -0.1044146), wk = 0.0040984 k( 207) = ( 0.4629630 -0.2670600 -0.1087652), wk = 0.0040984 k( 208) = ( 0.4814815 -0.2777424 -0.1131158), wk = 0.0040984 k( 209) = ( 0.5000000 -0.2884248 -0.1174664), wk = 0.0040984 k( 210) = ( 0.5000000 -0.2884248 0.4579289), wk = 0.0040984 k( 211) = ( 0.4852941 -0.2799417 0.4444605), wk = 0.0040984 k( 212) = ( 0.4705882 -0.2714587 0.4309920), wk = 0.0040984 k( 213) = ( 0.4558823 -0.2629756 0.4175235), wk = 0.0040984 k( 214) = ( 0.4411765 -0.2544925 0.4040550), wk = 0.0040984 k( 215) = ( 0.4264706 -0.2460094 0.3905865), wk = 0.0040984 k( 216) = ( 0.4117647 -0.2375263 0.3771180), wk = 0.0040984 k( 217) = ( 0.3970588 -0.2290432 0.3636495), wk = 0.0040984 k( 218) = ( 0.3823529 -0.2205602 0.3501810), wk = 0.0040984 k( 219) = ( 0.3676471 -0.2120771 0.3367125), wk = 0.0040984 k( 220) = ( 0.3529412 -0.2035940 0.3232440), wk = 0.0040984 k( 221) = ( 0.3382353 -0.1951109 0.3097755), wk = 0.0040984 k( 222) = ( 0.3235294 -0.1866278 0.2963070), wk = 0.0040984 k( 223) = ( 0.3088235 -0.1781447 0.2828385), wk = 0.0040984 k( 224) = ( 0.2941177 -0.1696617 0.2693700), wk = 0.0040984 k( 225) = ( 0.2794118 -0.1611786 0.2559015), wk = 0.0040984 k( 226) = ( 0.2647059 -0.1526955 0.2424330), wk = 0.0040984 k( 227) = ( 0.2500000 -0.1442124 0.2289645), wk = 0.0040984 k( 228) = ( 0.2352941 -0.1357293 0.2154960), wk = 0.0040984 k( 229) = ( 0.2205882 -0.1272462 0.2020275), wk = 0.0040984 k( 230) = ( 0.2058823 -0.1187632 0.1885590), wk = 0.0040984 k( 231) = ( 0.1911765 -0.1102801 0.1750905), wk = 0.0040984 k( 232) = ( 0.1764706 -0.1017970 0.1616220), wk = 0.0040984 k( 233) = ( 0.1617647 -0.0933139 0.1481535), wk = 0.0040984 k( 234) = ( 0.1470588 -0.0848308 0.1346850), wk = 0.0040984 k( 235) = ( 0.1323529 -0.0763477 0.1212165), wk = 0.0040984 k( 236) = ( 0.1176471 -0.0678647 0.1077480), wk = 0.0040984 k( 237) = ( 0.1029412 -0.0593816 0.0942795), wk = 0.0040984 k( 238) = ( 0.0882353 -0.0508985 0.0808110), wk = 0.0040984 k( 239) = ( 0.0735294 -0.0424154 0.0673425), wk = 0.0040984 k( 240) = ( 0.0588235 -0.0339323 0.0538740), wk = 0.0040984 k( 241) = ( 0.0441177 -0.0254492 0.0404055), wk = 0.0040984 k( 242) = ( 0.0294118 -0.0169662 0.0269370), wk = 0.0040984 k( 243) = ( 0.0147059 -0.0084831 0.0134685), wk = 0.0040984 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 2) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0040984 k( 3) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0040984 k( 4) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0040984 k( 5) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0040984 k( 6) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0040984 k( 7) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0040984 k( 8) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0040984 k( 9) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0040984 k( 10) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0040984 k( 11) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0040984 k( 12) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0040984 k( 13) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0040984 k( 14) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0040984 k( 15) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0040984 k( 16) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0040984 k( 17) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0040984 k( 18) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0040984 k( 19) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0040984 k( 20) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0040984 k( 21) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0040984 k( 22) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0040984 k( 23) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0040984 k( 24) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0040984 k( 25) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0040984 k( 26) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0040984 k( 27) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0040984 k( 28) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0040984 k( 29) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0040984 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040984 k( 31) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040984 k( 32) = ( 0.5070560 0.5070560 0.0202840), wk = 0.0040984 k( 33) = ( 0.5141121 0.5141121 0.0405679), wk = 0.0040984 k( 34) = ( 0.5211681 0.5211681 0.0608519), wk = 0.0040984 k( 35) = ( 0.5282242 0.5282242 0.0811359), wk = 0.0040984 k( 36) = ( 0.5352802 0.5352802 0.1014198), wk = 0.0040984 k( 37) = ( 0.5423362 0.5423362 0.1217038), wk = 0.0040984 k( 38) = ( 0.5493923 0.5493923 0.1419878), wk = 0.0040984 k( 39) = ( 0.5564483 0.5564483 0.1622717), wk = 0.0040984 k( 40) = ( 0.5635044 0.5635044 0.1825557), wk = 0.0040984 k( 41) = ( 0.5705604 0.5705604 0.2028397), wk = 0.0040984 k( 42) = ( 0.5776164 0.5776164 0.2231236), wk = 0.0040984 k( 43) = ( 0.5846725 0.5846725 0.2434076), wk = 0.0040984 k( 44) = ( 0.5917285 0.5917285 0.2636916), wk = 0.0040984 k( 45) = ( 0.5987846 0.5987846 0.2839755), wk = 0.0040984 k( 46) = ( 0.6058406 0.6058406 0.3042595), wk = 0.0040984 k( 47) = ( 0.6128967 0.6128967 0.3245435), wk = 0.0040984 k( 48) = ( 0.6199527 0.6199527 0.3448274), wk = 0.0040984 k( 49) = ( 0.6199527 0.6199527 0.3448274), wk = 0.0040984 k( 50) = ( 0.6107256 0.6107256 0.3567638), wk = 0.0040984 k( 51) = ( 0.6014984 0.6014984 0.3687001), wk = 0.0040984 k( 52) = ( 0.5922713 0.5922713 0.3806365), wk = 0.0040984 k( 53) = ( 0.5830442 0.5830442 0.3925728), wk = 0.0040984 k( 54) = ( 0.5738171 0.5738170 0.4045092), wk = 0.0040984 k( 55) = ( 0.5645899 0.5645899 0.4164455), wk = 0.0040984 k( 56) = ( 0.5553628 0.5553628 0.4283819), wk = 0.0040984 k( 57) = ( 0.5461356 0.5461356 0.4403182), wk = 0.0040984 k( 58) = ( 0.5369085 0.5369085 0.4522546), wk = 0.0040984 k( 59) = ( 0.5276814 0.5276814 0.4641909), wk = 0.0040984 k( 60) = ( 0.5184543 0.5184543 0.4761273), wk = 0.0040984 k( 61) = ( 0.5092271 0.5092271 0.4880636), wk = 0.0040984 k( 62) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040984 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040984 k( 64) = ( 0.5104962 0.4895038 0.5000000), wk = 0.0040984 k( 65) = ( 0.5209924 0.4790076 0.5000000), wk = 0.0040984 k( 66) = ( 0.5314887 0.4685113 0.5000000), wk = 0.0040984 k( 67) = ( 0.5419849 0.4580151 0.5000000), wk = 0.0040984 k( 68) = ( 0.5524811 0.4475189 0.5000000), wk = 0.0040984 k( 69) = ( 0.5629773 0.4370227 0.5000000), wk = 0.0040984 k( 70) = ( 0.5734735 0.4265265 0.5000000), wk = 0.0040984 k( 71) = ( 0.5839698 0.4160302 0.5000000), wk = 0.0040984 k( 72) = ( 0.5944660 0.4055340 0.5000000), wk = 0.0040984 k( 73) = ( 0.6049622 0.3950378 0.5000000), wk = 0.0040984 k( 74) = ( 0.6154584 0.3845416 0.5000000), wk = 0.0040984 k( 75) = ( 0.6259546 0.3740454 0.5000000), wk = 0.0040984 k( 76) = ( 0.6364509 0.3635491 0.5000000), wk = 0.0040984 k( 77) = ( 0.6469471 0.3530529 0.5000000), wk = 0.0040984 k( 78) = ( 0.6574433 0.3425567 0.5000000), wk = 0.0040984 k( 79) = ( 0.6679395 0.3320605 0.5000000), wk = 0.0040984 k( 80) = ( 0.6784357 0.3215643 0.5000000), wk = 0.0040984 k( 81) = ( 0.6889320 0.3110680 0.5000000), wk = 0.0040984 k( 82) = ( 0.6994282 0.3005718 0.5000000), wk = 0.0040984 k( 83) = ( 0.7099244 0.2900756 0.5000000), wk = 0.0040984 k( 84) = ( 0.7204206 0.2795794 0.5000000), wk = 0.0040984 k( 85) = ( 0.2795794 -0.2795794 0.5000000), wk = 0.0040984 k( 86) = ( 0.2688263 -0.2688263 0.5000000), wk = 0.0040984 k( 87) = ( 0.2580733 -0.2580733 0.5000000), wk = 0.0040984 k( 88) = ( 0.2473202 -0.2473202 0.5000000), wk = 0.0040984 k( 89) = ( 0.2365672 -0.2365672 0.5000000), wk = 0.0040984 k( 90) = ( 0.2258141 -0.2258141 0.5000000), wk = 0.0040984 k( 91) = ( 0.2150611 -0.2150611 0.5000000), wk = 0.0040984 k( 92) = ( 0.2043080 -0.2043080 0.5000000), wk = 0.0040984 k( 93) = ( 0.1935550 -0.1935550 0.5000000), wk = 0.0040984 k( 94) = ( 0.1828019 -0.1828019 0.5000000), wk = 0.0040984 k( 95) = ( 0.1720489 -0.1720488 0.5000000), wk = 0.0040984 k( 96) = ( 0.1612958 -0.1612958 0.5000000), wk = 0.0040984 k( 97) = ( 0.1505427 -0.1505427 0.5000000), wk = 0.0040984 k( 98) = ( 0.1397897 -0.1397897 0.5000000), wk = 0.0040984 k( 99) = ( 0.1290366 -0.1290366 0.5000000), wk = 0.0040984 k( 100) = ( 0.1182836 -0.1182836 0.5000000), wk = 0.0040984 k( 101) = ( 0.1075305 -0.1075305 0.5000000), wk = 0.0040984 k( 102) = ( 0.0967775 -0.0967775 0.5000000), wk = 0.0040984 k( 103) = ( 0.0860244 -0.0860244 0.5000000), wk = 0.0040984 k( 104) = ( 0.0752714 -0.0752714 0.5000000), wk = 0.0040984 k( 105) = ( 0.0645183 -0.0645183 0.5000000), wk = 0.0040984 k( 106) = ( 0.0537653 -0.0537653 0.5000000), wk = 0.0040984 k( 107) = ( 0.0430122 -0.0430122 0.5000000), wk = 0.0040984 k( 108) = ( 0.0322592 -0.0322592 0.5000000), wk = 0.0040984 k( 109) = ( 0.0215061 -0.0215061 0.5000000), wk = 0.0040984 k( 110) = ( 0.0107531 -0.0107530 0.5000000), wk = 0.0040984 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040984 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040984 k( 113) = ( 0.0180975 0.0180975 0.5073892), wk = 0.0040984 k( 114) = ( 0.0361950 0.0361950 0.5147783), wk = 0.0040984 k( 115) = ( 0.0542925 0.0542925 0.5221675), wk = 0.0040984 k( 116) = ( 0.0723900 0.0723900 0.5295567), wk = 0.0040984 k( 117) = ( 0.0904874 0.0904874 0.5369458), wk = 0.0040984 k( 118) = ( 0.1085849 0.1085849 0.5443350), wk = 0.0040984 k( 119) = ( 0.1266824 0.1266824 0.5517242), wk = 0.0040984 k( 120) = ( 0.1447799 0.1447799 0.5591133), wk = 0.0040984 k( 121) = ( 0.1628774 0.1628774 0.5665025), wk = 0.0040984 k( 122) = ( 0.1809749 0.1809749 0.5738917), wk = 0.0040984 k( 123) = ( 0.1990724 0.1990724 0.5812809), wk = 0.0040984 k( 124) = ( 0.2171699 0.2171699 0.5886700), wk = 0.0040984 k( 125) = ( 0.2352674 0.2352674 0.5960592), wk = 0.0040984 k( 126) = ( 0.2533649 0.2533649 0.6034484), wk = 0.0040984 k( 127) = ( 0.2714624 0.2714624 0.6108375), wk = 0.0040984 k( 128) = ( 0.2895599 0.2895598 0.6182267), wk = 0.0040984 k( 129) = ( 0.3076573 0.3076573 0.6256159), wk = 0.0040984 k( 130) = ( 0.3257548 0.3257548 0.6330050), wk = 0.0040984 k( 131) = ( 0.3438523 0.3438523 0.6403942), wk = 0.0040984 k( 132) = ( 0.3619498 0.3619498 0.6477834), wk = 0.0040984 k( 133) = ( 0.3800473 0.3800473 0.6551725), wk = 0.0040984 k( 134) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040984 k( 135) = ( 0.5109134 0.4890866 0.0000000), wk = 0.0040984 k( 136) = ( 0.5218267 0.4781733 0.0000000), wk = 0.0040984 k( 137) = ( 0.5327401 0.4672599 0.0000000), wk = 0.0040984 k( 138) = ( 0.5436534 0.4563466 0.0000000), wk = 0.0040984 k( 139) = ( 0.5545668 0.4454332 0.0000000), wk = 0.0040984 k( 140) = ( 0.5654802 0.4345198 0.0000000), wk = 0.0040984 k( 141) = ( 0.5763935 0.4236065 0.0000000), wk = 0.0040984 k( 142) = ( 0.5873069 0.4126931 0.0000000), wk = 0.0040984 k( 143) = ( 0.5982202 0.4017798 -0.0000000), wk = 0.0040984 k( 144) = ( 0.6091336 0.3908664 0.0000000), wk = 0.0040984 k( 145) = ( 0.6200470 0.3799530 0.0000000), wk = 0.0040984 k( 146) = ( 0.6309603 0.3690397 0.0000000), wk = 0.0040984 k( 147) = ( 0.6418737 0.3581263 0.0000000), wk = 0.0040984 k( 148) = ( 0.6527870 0.3472130 0.0000000), wk = 0.0040984 k( 149) = ( 0.3472130 -0.3472130 0.0000000), wk = 0.0040984 k( 150) = ( 0.3363626 -0.3363626 0.0000000), wk = 0.0040984 k( 151) = ( 0.3255122 -0.3255121 0.0000000), wk = 0.0040984 k( 152) = ( 0.3146618 -0.3146617 0.0000000), wk = 0.0040984 k( 153) = ( 0.3038113 -0.3038113 0.0000000), wk = 0.0040984 k( 154) = ( 0.2929609 -0.2929609 0.0000000), wk = 0.0040984 k( 155) = ( 0.2821105 -0.2821105 0.0000000), wk = 0.0040984 k( 156) = ( 0.2712601 -0.2712601 0.0000000), wk = 0.0040984 k( 157) = ( 0.2604097 -0.2604097 0.0000000), wk = 0.0040984 k( 158) = ( 0.2495593 -0.2495593 0.0000000), wk = 0.0040984 k( 159) = ( 0.2387089 -0.2387089 0.0000000), wk = 0.0040984 k( 160) = ( 0.2278585 -0.2278585 0.0000000), wk = 0.0040984 k( 161) = ( 0.2170081 -0.2170081 0.0000000), wk = 0.0040984 k( 162) = ( 0.2061577 -0.2061577 0.0000000), wk = 0.0040984 k( 163) = ( 0.1953073 -0.1953073 0.0000000), wk = 0.0040984 k( 164) = ( 0.1844569 -0.1844569 0.0000000), wk = 0.0040984 k( 165) = ( 0.1736065 -0.1736065 0.0000000), wk = 0.0040984 k( 166) = ( 0.1627561 -0.1627561 0.0000000), wk = 0.0040984 k( 167) = ( 0.1519057 -0.1519057 0.0000000), wk = 0.0040984 k( 168) = ( 0.1410553 -0.1410553 0.0000000), wk = 0.0040984 k( 169) = ( 0.1302049 -0.1302049 0.0000000), wk = 0.0040984 k( 170) = ( 0.1193545 -0.1193545 0.0000000), wk = 0.0040984 k( 171) = ( 0.1085041 -0.1085040 0.0000000), wk = 0.0040984 k( 172) = ( 0.0976536 -0.0976537 -0.0000000), wk = 0.0040984 k( 173) = ( 0.0868032 -0.0868032 0.0000000), wk = 0.0040984 k( 174) = ( 0.0759528 -0.0759528 0.0000000), wk = 0.0040984 k( 175) = ( 0.0651024 -0.0651024 0.0000000), wk = 0.0040984 k( 176) = ( 0.0542520 -0.0542520 0.0000000), wk = 0.0040984 k( 177) = ( 0.0434016 -0.0434016 0.0000000), wk = 0.0040984 k( 178) = ( 0.0325512 -0.0325512 0.0000000), wk = 0.0040984 k( 179) = ( 0.0217008 -0.0217008 0.0000000), wk = 0.0040984 k( 180) = ( 0.0108504 -0.0108504 0.0000000), wk = 0.0040984 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 183) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0040984 k( 184) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0040984 k( 185) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0040984 k( 186) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0040984 k( 187) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0040984 k( 188) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0040984 k( 189) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0040984 k( 190) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0040984 k( 191) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0040984 k( 192) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0040984 k( 193) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0040984 k( 194) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0040984 k( 195) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0040984 k( 196) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0040984 k( 197) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0040984 k( 198) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0040984 k( 199) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0040984 k( 200) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0040984 k( 201) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0040984 k( 202) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0040984 k( 203) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0040984 k( 204) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0040984 k( 205) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0040984 k( 206) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0040984 k( 207) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0040984 k( 208) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0040984 k( 209) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040984 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040984 k( 211) = ( 0.4852941 0.0000000 0.4852941), wk = 0.0040984 k( 212) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0040984 k( 213) = ( 0.4558823 0.0000000 0.4558823), wk = 0.0040984 k( 214) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0040984 k( 215) = ( 0.4264706 0.0000000 0.4264706), wk = 0.0040984 k( 216) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0040984 k( 217) = ( 0.3970588 -0.0000000 0.3970588), wk = 0.0040984 k( 218) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0040984 k( 219) = ( 0.3676471 0.0000000 0.3676471), wk = 0.0040984 k( 220) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0040984 k( 221) = ( 0.3382353 0.0000000 0.3382353), wk = 0.0040984 k( 222) = ( 0.3235294 0.0000000 0.3235294), wk = 0.0040984 k( 223) = ( 0.3088235 0.0000000 0.3088235), wk = 0.0040984 k( 224) = ( 0.2941177 0.0000000 0.2941176), wk = 0.0040984 k( 225) = ( 0.2794118 0.0000000 0.2794118), wk = 0.0040984 k( 226) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0040984 k( 227) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0040984 k( 228) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0040984 k( 229) = ( 0.2205882 0.0000000 0.2205882), wk = 0.0040984 k( 230) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0040984 k( 231) = ( 0.1911765 0.0000000 0.1911765), wk = 0.0040984 k( 232) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0040984 k( 233) = ( 0.1617647 0.0000000 0.1617647), wk = 0.0040984 k( 234) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0040984 k( 235) = ( 0.1323529 0.0000000 0.1323529), wk = 0.0040984 k( 236) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0040984 k( 237) = ( 0.1029412 0.0000000 0.1029412), wk = 0.0040984 k( 238) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0040984 k( 239) = ( 0.0735294 0.0000000 0.0735294), wk = 0.0040984 k( 240) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0040984 k( 241) = ( 0.0441177 0.0000000 0.0441177), wk = 0.0040984 k( 242) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0040984 k( 243) = ( 0.0147059 0.0000000 0.0147059), wk = 0.0040984 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 Dense grid: 165399 G-vectors FFT dimensions: ( 75, 75, 72) Smooth grid: 79067 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 286, 76) NL pseudopotentials 0.40 Mb ( 143, 184) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.02 Mb ( 2299) G-vector shells 0.02 Mb ( 2259) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 286, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.43 Mb ( 184, 2, 76) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./H4C4BrN.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.9 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.1 secs Computing kpt #: 9 total cpu time spent up to now is 16.7 secs Computing kpt #: 10 total cpu time spent up to now is 18.2 secs Computing kpt #: 11 total cpu time spent up to now is 19.8 secs Computing kpt #: 12 total cpu time spent up to now is 21.3 secs Computing kpt #: 13 total cpu time spent up to now is 22.8 secs Computing kpt #: 14 total cpu time spent up to now is 24.3 secs Computing kpt #: 15 total cpu time spent up to now is 25.9 secs Computing kpt #: 16 total cpu time spent up to now is 27.4 secs Computing kpt #: 17 total cpu time spent up to now is 28.9 secs Computing kpt #: 18 total cpu time spent up to now is 30.2 secs Computing kpt #: 19 total cpu time spent up to now is 31.8 secs Computing kpt #: 20 total cpu time spent up to now is 33.3 secs Computing kpt #: 21 total cpu time spent up to now is 34.7 secs Computing kpt #: 22 total cpu time spent up to now is 36.3 secs Computing kpt #: 23 total cpu time spent up to now is 37.8 secs Computing kpt #: 24 total cpu time spent up to now is 39.4 secs Computing kpt #: 25 total cpu time spent up to now is 41.0 secs Computing kpt #: 26 total cpu time spent up to now is 42.6 secs Computing kpt #: 27 total cpu time spent up to now is 44.2 secs Computing kpt #: 28 total cpu time spent up to now is 45.8 secs Computing kpt #: 29 total cpu time spent up to now is 47.4 secs Computing kpt #: 30 total cpu time spent up to now is 48.9 secs Computing kpt #: 31 total cpu time spent up to now is 50.4 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.3 secs Computing kpt #: 34 total cpu time spent up to now is 54.8 secs Computing kpt #: 35 total cpu time spent up to now is 56.2 secs Computing kpt #: 36 total cpu time spent up to now is 57.7 secs Computing kpt #: 37 total cpu time spent up to now is 59.1 secs Computing kpt #: 38 total cpu time spent up to now is 60.7 secs Computing kpt #: 39 total cpu time spent up to now is 62.1 secs Computing kpt #: 40 total cpu time spent up to now is 63.7 secs Computing kpt #: 41 total cpu time spent up to now is 65.0 secs Computing kpt #: 42 total cpu time spent up to now is 66.5 secs Computing kpt #: 43 total cpu time spent up to now is 68.0 secs Computing kpt #: 44 total cpu time spent up to now is 69.5 secs Computing kpt #: 45 total cpu time spent up to now is 71.0 secs Computing kpt #: 46 total cpu time spent up to now is 72.4 secs Computing kpt #: 47 total cpu time spent up to now is 73.7 secs Computing kpt #: 48 total cpu time spent up to now is 75.0 secs Computing kpt #: 49 total cpu time spent up to now is 76.4 secs Computing kpt #: 50 total cpu time spent up to now is 77.7 secs Computing kpt #: 51 total cpu time spent up to now is 79.1 secs Computing kpt #: 52 total cpu time spent up to now is 80.5 secs Computing kpt #: 53 total cpu time spent up to now is 81.8 secs Computing kpt #: 54 total cpu time spent up to now is 83.0 secs Computing kpt #: 55 total cpu time spent up to now is 84.4 secs Computing kpt #: 56 total cpu time spent up to now is 85.7 secs Computing kpt #: 57 total cpu time spent up to now is 87.0 secs Computing kpt #: 58 total cpu time spent up to now is 88.2 secs Computing kpt #: 59 total cpu time spent up to now is 89.4 secs Computing kpt #: 60 total cpu time spent up to now is 90.6 secs Computing kpt #: 61 total cpu time spent up to now is 91.9 secs Computing kpt #: 62 total cpu time spent up to now is 93.1 secs Computing kpt #: 63 total cpu time spent up to now is 94.4 secs Computing kpt #: 64 total cpu time spent up to now is 95.7 secs Computing kpt #: 65 total cpu time spent up to now is 97.0 secs Computing kpt #: 66 total cpu time spent up to now is 98.2 secs Computing kpt #: 67 total cpu time spent up to now is 99.5 secs Computing kpt #: 68 total cpu time spent up to now is 100.7 secs Computing kpt #: 69 total cpu time spent up to now is 101.9 secs Computing kpt #: 70 total cpu time spent up to now is 103.2 secs Computing kpt #: 71 total cpu time spent up to now is 104.5 secs Computing kpt #: 72 total cpu time spent up to now is 105.8 secs Computing kpt #: 73 total cpu time spent up to now is 107.1 secs Computing kpt #: 74 total cpu time spent up to now is 108.4 secs Computing kpt #: 75 total cpu time spent up to now is 109.7 secs Computing kpt #: 76 total cpu time spent up to now is 111.0 secs Computing kpt #: 77 total cpu time spent up to now is 112.3 secs Computing kpt #: 78 total cpu time spent up to now is 113.6 secs Computing kpt #: 79 total cpu time spent up to now is 115.2 secs Computing kpt #: 80 total cpu time spent up to now is 116.4 secs Computing kpt #: 81 total cpu time spent up to now is 117.7 secs Computing kpt #: 82 total cpu time spent up to now is 119.0 secs Computing kpt #: 83 total cpu time spent up to now is 120.3 secs Computing kpt #: 84 total cpu time spent up to now is 121.5 secs Computing kpt #: 85 total cpu time spent up to now is 122.7 secs Computing kpt #: 86 total cpu time spent up to now is 124.0 secs Computing kpt #: 87 total cpu time spent up to now is 125.2 secs Computing kpt #: 88 total cpu time spent up to now is 126.5 secs Computing kpt #: 89 total cpu time spent up to now is 127.7 secs Computing kpt #: 90 total cpu time spent up to now is 128.9 secs Computing kpt #: 91 total cpu time spent up to now is 130.2 secs Computing kpt #: 92 total cpu time spent up to now is 131.5 secs Computing kpt #: 93 total cpu time spent up to now is 132.9 secs Computing kpt #: 94 total cpu time spent up to now is 134.2 secs Computing kpt #: 95 total cpu time spent up to now is 135.5 secs Computing kpt #: 96 total cpu time spent up to now is 136.8 secs Computing kpt #: 97 total cpu time spent up to now is 138.1 secs Computing kpt #: 98 total cpu time spent up to now is 139.4 secs Computing kpt #: 99 total cpu time spent up to now is 140.8 secs Computing kpt #: 100 total cpu time spent up to now is 142.5 secs Computing kpt #: 101 total cpu time spent up to now is 144.3 secs Computing kpt #: 102 total cpu time spent up to now is 145.7 secs Computing kpt #: 103 total cpu time spent up to now is 147.0 secs Computing kpt #: 104 total cpu time spent up to now is 148.4 secs Computing kpt #: 105 total cpu time spent up to now is 149.7 secs Computing kpt #: 106 total cpu time spent up to now is 151.1 secs Computing kpt #: 107 total cpu time spent up to now is 152.4 secs Computing kpt #: 108 total cpu time spent up to now is 153.9 secs Computing kpt #: 109 total cpu time spent up to now is 155.6 secs Computing kpt #: 110 total cpu time spent up to now is 157.1 secs Computing kpt #: 111 total cpu time spent up to now is 158.6 secs Computing kpt #: 112 total cpu time spent up to now is 160.2 secs Computing kpt #: 113 total cpu time spent up to now is 161.7 secs Computing kpt #: 114 total cpu time spent up to now is 163.2 secs Computing kpt #: 115 total cpu time spent up to now is 164.6 secs Computing kpt #: 116 total cpu time spent up to now is 166.2 secs Computing kpt #: 117 total cpu time spent up to now is 167.7 secs Computing kpt #: 118 total cpu time spent up to now is 169.4 secs Computing kpt #: 119 total cpu time spent up to now is 170.8 secs Computing kpt #: 120 total cpu time spent up to now is 172.2 secs Computing kpt #: 121 total cpu time spent up to now is 173.6 secs Computing kpt #: 122 total cpu time spent up to now is 174.9 secs Computing kpt #: 123 total cpu time spent up to now is 176.3 secs Computing kpt #: 124 total cpu time spent up to now is 177.7 secs Computing kpt #: 125 total cpu time spent up to now is 179.0 secs Computing kpt #: 126 total cpu time spent up to now is 180.3 secs Computing kpt #: 127 total cpu time spent up to now is 181.6 secs Computing kpt #: 128 total cpu time spent up to now is 182.9 secs Computing kpt #: 129 total cpu time spent up to now is 184.3 secs Computing kpt #: 130 total cpu time spent up to now is 185.6 secs Computing kpt #: 131 total cpu time spent up to now is 186.9 secs Computing kpt #: 132 total cpu time spent up to now is 188.2 secs Computing kpt #: 133 total cpu time spent up to now is 189.6 secs Computing kpt #: 134 total cpu time spent up to now is 191.1 secs Computing kpt #: 135 total cpu time spent up to now is 192.6 secs Computing kpt #: 136 total cpu time spent up to now is 194.1 secs Computing kpt #: 137 total cpu time spent up to now is 195.6 secs Computing kpt #: 138 total cpu time spent up to now is 197.1 secs Computing kpt #: 139 total cpu time spent up to now is 198.6 secs Computing kpt #: 140 total cpu time spent up to now is 200.1 secs Computing kpt #: 141 total cpu time spent up to now is 201.7 secs Computing kpt #: 142 total cpu time spent up to now is 203.3 secs Computing kpt #: 143 total cpu time spent up to now is 204.8 secs Computing kpt #: 144 total cpu time spent up to now is 206.4 secs Computing kpt #: 145 total cpu time spent up to now is 208.0 secs Computing kpt #: 146 total cpu time spent up to now is 209.6 secs Computing kpt #: 147 total cpu time spent up to now is 211.1 secs Computing kpt #: 148 total cpu time spent up to now is 212.6 secs Computing kpt #: 149 total cpu time spent up to now is 214.1 secs Computing kpt #: 150 total cpu time spent up to now is 215.8 secs Computing kpt #: 151 total cpu time spent up to now is 217.5 secs Computing kpt #: 152 total cpu time spent up to now is 219.1 secs Computing kpt #: 153 total cpu time spent up to now is 220.6 secs Computing kpt #: 154 total cpu time spent up to now is 222.3 secs Computing kpt #: 155 total cpu time spent up to now is 223.9 secs Computing kpt #: 156 total cpu time spent up to now is 225.6 secs Computing kpt #: 157 total cpu time spent up to now is 227.2 secs Computing kpt #: 158 total cpu time spent up to now is 228.7 secs Computing kpt #: 159 total cpu time spent up to now is 230.3 secs Computing kpt #: 160 total cpu time spent up to now is 231.9 secs Computing kpt #: 161 total cpu time spent up to now is 233.6 secs Computing kpt #: 162 total cpu time spent up to now is 235.4 secs Computing kpt #: 163 total cpu time spent up to now is 237.1 secs Computing kpt #: 164 total cpu time spent up to now is 238.8 secs Computing kpt #: 165 total cpu time spent up to now is 240.6 secs Computing kpt #: 166 total cpu time spent up to now is 242.3 secs Computing kpt #: 167 total cpu time spent up to now is 244.0 secs Computing kpt #: 168 total cpu time spent up to now is 245.6 secs Computing kpt #: 169 total cpu time spent up to now is 247.4 secs Computing kpt #: 170 total cpu time spent up to now is 249.3 secs Computing kpt #: 171 total cpu time spent up to now is 251.1 secs Computing kpt #: 172 total cpu time spent up to now is 252.8 secs Computing kpt #: 173 total cpu time spent up to now is 254.5 secs Computing kpt #: 174 total cpu time spent up to now is 256.1 secs Computing kpt #: 175 total cpu time spent up to now is 257.9 secs Computing kpt #: 176 total cpu time spent up to now is 259.5 secs Computing kpt #: 177 total cpu time spent up to now is 261.3 secs Computing kpt #: 178 total cpu time spent up to now is 263.0 secs Computing kpt #: 179 total cpu time spent up to now is 264.8 secs Computing kpt #: 180 total cpu time spent up to now is 266.6 secs Computing kpt #: 181 total cpu time spent up to now is 268.2 secs Computing kpt #: 182 total cpu time spent up to now is 269.9 secs Computing kpt #: 183 total cpu time spent up to now is 271.8 secs Computing kpt #: 184 total cpu time spent up to now is 273.5 secs Computing kpt #: 185 total cpu time spent up to now is 275.1 secs Computing kpt #: 186 total cpu time spent up to now is 276.8 secs Computing kpt #: 187 total cpu time spent up to now is 278.4 secs Computing kpt #: 188 total cpu time spent up to now is 280.1 secs Computing kpt #: 189 total cpu time spent up to now is 281.8 secs Computing kpt #: 190 total cpu time spent up to now is 283.7 secs Computing kpt #: 191 total cpu time spent up to now is 285.2 secs Computing kpt #: 192 total cpu time spent up to now is 286.9 secs Computing kpt #: 193 total cpu time spent up to now is 288.7 secs Computing kpt #: 194 total cpu time spent up to now is 290.6 secs Computing kpt #: 195 total cpu time spent up to now is 292.2 secs Computing kpt #: 196 total cpu time spent up to now is 294.0 secs Computing kpt #: 197 total cpu time spent up to now is 295.6 secs Computing kpt #: 198 total cpu time spent up to now is 297.3 secs Computing kpt #: 199 total cpu time spent up to now is 299.3 secs Computing kpt #: 200 total cpu time spent up to now is 301.1 secs Computing kpt #: 201 total cpu time spent up to now is 302.9 secs Computing kpt #: 202 total cpu time spent up to now is 304.6 secs Computing kpt #: 203 total cpu time spent up to now is 306.2 secs Computing kpt #: 204 total cpu time spent up to now is 308.0 secs Computing kpt #: 205 total cpu time spent up to now is 309.7 secs Computing kpt #: 206 total cpu time spent up to now is 311.3 secs Computing kpt #: 207 total cpu time spent up to now is 313.0 secs Computing kpt #: 208 total cpu time spent up to now is 314.6 secs Computing kpt #: 209 total cpu time spent up to now is 316.2 secs Computing kpt #: 210 total cpu time spent up to now is 317.6 secs Computing kpt #: 211 total cpu time spent up to now is 319.0 secs Computing kpt #: 212 total cpu time spent up to now is 320.3 secs Computing kpt #: 213 total cpu time spent up to now is 321.7 secs Computing kpt #: 214 total cpu time spent up to now is 322.9 secs Computing kpt #: 215 total cpu time spent up to now is 324.2 secs Computing kpt #: 216 total cpu time spent up to now is 325.5 secs Computing kpt #: 217 total cpu time spent up to now is 326.8 secs Computing kpt #: 218 total cpu time spent up to now is 328.3 secs Computing kpt #: 219 total cpu time spent up to now is 329.9 secs Computing kpt #: 220 total cpu time spent up to now is 331.3 secs Computing kpt #: 221 total cpu time spent up to now is 332.8 secs Computing kpt #: 222 total cpu time spent up to now is 334.3 secs Computing kpt #: 223 total cpu time spent up to now is 335.7 secs Computing kpt #: 224 total cpu time spent up to now is 337.0 secs Computing kpt #: 225 total cpu time spent up to now is 338.4 secs Computing kpt #: 226 total cpu time spent up to now is 339.9 secs Computing kpt #: 227 total cpu time spent up to now is 341.3 secs Computing kpt #: 228 total cpu time spent up to now is 342.7 secs Computing kpt #: 229 total cpu time spent up to now is 344.1 secs Computing kpt #: 230 total cpu time spent up to now is 345.7 secs Computing kpt #: 231 total cpu time spent up to now is 347.3 secs Computing kpt #: 232 total cpu time spent up to now is 348.7 secs Computing kpt #: 233 total cpu time spent up to now is 350.3 secs Computing kpt #: 234 total cpu time spent up to now is 351.8 secs Computing kpt #: 235 total cpu time spent up to now is 353.4 secs Computing kpt #: 236 total cpu time spent up to now is 355.1 secs Computing kpt #: 237 total cpu time spent up to now is 356.6 secs Computing kpt #: 238 total cpu time spent up to now is 358.3 secs Computing kpt #: 239 total cpu time spent up to now is 360.2 secs Computing kpt #: 240 total cpu time spent up to now is 361.9 secs Computing kpt #: 241 total cpu time spent up to now is 363.6 secs Computing kpt #: 242 total cpu time spent up to now is 365.3 secs Computing kpt #: 243 total cpu time spent up to now is 367.2 secs Computing kpt #: 244 total cpu time spent up to now is 368.8 secs ethr = 1.56E-08, avg # of iterations = 21.1 total cpu time spent up to now is 368.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9873 PWs) bands (ev): -16.7769 -16.7769 -16.5486 -16.5486 -15.6950 -15.6950 -14.7675 -14.7675 -13.4203 -13.4203 -12.7863 -12.7863 -12.0504 -12.0504 -9.8953 -9.8953 -9.5203 -9.5203 -8.9261 -8.9261 -6.9199 -6.9199 -5.7261 -5.7261 -5.1159 -5.1159 -4.9129 -4.9129 -4.5785 -4.5785 -4.5324 -4.5324 -3.5367 -3.5367 -3.3852 -3.3852 -3.1122 -3.1122 -2.7084 -2.7084 -2.7063 -2.7063 -2.4524 -2.4524 -2.2859 -2.2859 -1.9962 -1.9962 -1.7013 -1.7013 -1.5825 -1.5825 -1.4237 -1.4237 -1.2622 -1.2622 -0.8642 -0.8642 -0.5439 -0.5439 -0.2555 -0.2555 0.0959 0.0959 4.2419 4.2419 4.5227 4.5227 5.7954 5.7954 6.3235 6.3235 6.4801 6.4801 7.1773 7.1773 k = 0.0172 0.0100-0.0081 ( 9882 PWs) bands (ev): -16.7767 -16.7767 -16.5487 -16.5487 -15.6950 -15.6950 -14.7678 -14.7678 -13.4202 -13.4202 -12.7864 -12.7864 -12.0503 -12.0503 -9.8951 -9.8951 -9.5202 -9.5202 -8.9259 -8.9259 -6.9200 -6.9200 -5.7267 -5.7267 -5.1154 -5.1154 -4.9138 -4.9138 -4.5786 -4.5786 -4.5320 -4.5320 -3.5365 -3.5365 -3.3855 -3.3855 -3.1132 -3.1132 -2.7090 -2.7090 -2.7050 -2.7050 -2.4520 -2.4520 -2.2858 -2.2858 -1.9958 -1.9958 -1.7014 -1.7014 -1.5843 -1.5843 -1.4231 -1.4231 -1.2611 -1.2611 -0.8636 -0.8636 -0.5442 -0.5442 -0.2552 -0.2552 0.0959 0.0959 4.2417 4.2417 4.5228 4.5228 5.7970 5.7970 6.3244 6.3244 6.4810 6.4810 7.1775 7.1775 k = 0.0345 0.0199-0.0162 ( 9888 PWs) bands (ev): -16.7761 -16.7761 -16.5491 -16.5491 -15.6951 -15.6951 -14.7685 -14.7685 -13.4199 -13.4199 -12.7865 -12.7865 -12.0499 -12.0499 -9.8944 -9.8944 -9.5201 -9.5201 -8.9255 -8.9255 -6.9202 -6.9202 -5.7287 -5.7287 -5.1140 -5.1140 -4.9164 -4.9164 -4.5790 -4.5790 -4.5308 -4.5308 -3.5361 -3.5361 -3.3866 -3.3866 -3.1161 -3.1161 -2.7110 -2.7110 -2.7013 -2.7013 -2.4509 -2.4509 -2.2856 -2.2856 -1.9944 -1.9944 -1.7015 -1.7015 -1.5894 -1.5894 -1.4217 -1.4217 -1.2580 -1.2580 -0.8619 -0.8619 -0.5451 -0.5451 -0.2543 -0.2543 0.0959 0.0959 4.2412 4.2412 4.5229 4.5229 5.8017 5.8017 6.3273 6.3273 6.4836 6.4836 7.1781 7.1781 k = 0.0517 0.0299-0.0243 ( 9898 PWs) bands (ev): -16.7753 -16.7753 -16.5497 -16.5497 -15.6952 -15.6952 -14.7696 -14.7696 -13.4194 -13.4194 -12.7866 -12.7866 -12.0494 -12.0494 -9.8932 -9.8932 -9.5198 -9.5198 -8.9248 -8.9248 -6.9206 -6.9206 -5.7319 -5.7319 -5.1117 -5.1117 -4.9207 -4.9207 -4.5796 -4.5796 -4.5288 -4.5288 -3.5355 -3.5355 -3.3884 -3.3884 -3.1209 -3.1209 -2.7142 -2.7142 -2.6951 -2.6951 -2.4490 -2.4490 -2.2852 -2.2852 -1.9923 -1.9923 -1.7018 -1.7018 -1.5975 -1.5975 -1.4195 -1.4195 -1.2529 -1.2529 -0.8590 -0.8590 -0.5464 -0.5464 -0.2528 -0.2528 0.0960 0.0960 4.2403 4.2403 4.5231 4.5231 5.8096 5.8096 6.3319 6.3319 6.4879 6.4879 7.1792 7.1792 k = 0.0690 0.0398-0.0324 ( 9907 PWs) bands (ev): -16.7740 -16.7740 -16.5505 -16.5505 -15.6954 -15.6954 -14.7712 -14.7712 -13.4188 -13.4188 -12.7868 -12.7868 -12.0486 -12.0486 -9.8916 -9.8916 -9.5195 -9.5195 -8.9238 -8.9238 -6.9212 -6.9212 -5.7363 -5.7363 -5.1085 -5.1085 -4.9267 -4.9267 -4.5804 -4.5804 -4.5261 -4.5261 -3.5346 -3.5346 -3.3907 -3.3907 -3.1275 -3.1275 -2.7186 -2.7186 -2.6866 -2.6866 -2.4464 -2.4464 -2.2846 -2.2846 -1.9893 -1.9893 -1.7021 -1.7021 -1.6083 -1.6083 -1.4169 -1.4169 -1.2459 -1.2459 -0.8551 -0.8551 -0.5482 -0.5482 -0.2508 -0.2508 0.0962 0.0962 4.2391 4.2391 4.5233 4.5233 5.8204 5.8204 6.3385 6.3385 6.4939 6.4939 7.1810 7.1810 k = 0.0862 0.0498-0.0405 ( 9906 PWs) bands (ev): -16.7724 -16.7724 -16.5515 -16.5515 -15.6957 -15.6957 -14.7731 -14.7731 -13.4180 -13.4180 -12.7870 -12.7870 -12.0476 -12.0476 -9.8896 -9.8896 -9.5190 -9.5190 -8.9225 -8.9225 -6.9219 -6.9219 -5.7418 -5.7418 -5.1043 -5.1043 -4.9342 -4.9342 -4.5815 -4.5815 -4.5227 -4.5227 -3.5334 -3.5334 -3.3935 -3.3935 -3.1358 -3.1358 -2.7241 -2.7241 -2.6760 -2.6760 -2.4431 -2.4431 -2.2840 -2.2840 -1.9857 -1.9857 -1.7025 -1.7025 -1.6213 -1.6213 -1.4143 -1.4143 -1.2371 -1.2371 -0.8501 -0.8501 -0.5503 -0.5503 -0.2483 -0.2483 0.0963 0.0963 4.2376 4.2376 4.5236 4.5236 5.8342 5.8342 6.3468 6.3468 6.5014 6.5014 7.1836 7.1836 k = 0.1034 0.0598-0.0486 ( 9916 PWs) bands (ev): -16.7705 -16.7705 -16.5528 -16.5528 -15.6960 -15.6960 -14.7755 -14.7755 -13.4170 -13.4170 -12.7872 -12.7872 -12.0464 -12.0464 -9.8871 -9.8871 -9.5185 -9.5185 -8.9209 -8.9209 -6.9228 -6.9228 -5.7482 -5.7482 -5.0993 -5.0993 -4.9432 -4.9432 -4.5829 -4.5829 -4.5189 -4.5189 -3.5320 -3.5320 -3.3965 -3.3965 -3.1456 -3.1456 -2.7307 -2.7307 -2.6634 -2.6634 -2.4391 -2.4391 -2.2832 -2.2832 -1.9814 -1.9814 -1.7031 -1.7031 -1.6361 -1.6361 -1.4119 -1.4119 -1.2268 -1.2268 -0.8442 -0.8442 -0.5526 -0.5526 -0.2455 -0.2455 0.0965 0.0965 4.2360 4.2360 4.5239 4.5239 5.8507 5.8507 6.3570 6.3570 6.5105 6.5105 7.1871 7.1871 k = 0.1207 0.0697-0.0567 ( 9919 PWs) bands (ev): -16.7682 -16.7682 -16.5543 -16.5543 -15.6963 -15.6963 -14.7782 -14.7782 -13.4159 -13.4159 -12.7875 -12.7875 -12.0450 -12.0450 -9.8843 -9.8843 -9.5178 -9.5178 -8.9192 -8.9192 -6.9238 -6.9238 -5.7555 -5.7555 -5.0935 -5.0935 -4.9536 -4.9536 -4.5846 -4.5846 -4.5147 -4.5147 -3.5304 -3.5304 -3.3996 -3.3996 -3.1567 -3.1567 -2.7382 -2.7382 -2.6491 -2.6491 -2.4344 -2.4344 -2.2823 -2.2823 -1.9766 -1.9766 -1.7038 -1.7038 -1.6525 -1.6525 -1.4100 -1.4100 -1.2151 -1.2151 -0.8375 -0.8375 -0.5548 -0.5548 -0.2425 -0.2425 0.0967 0.0967 4.2341 4.2341 4.5241 4.5241 5.8700 5.8700 6.3689 6.3689 6.5210 6.5210 7.1914 7.1914 k = 0.1379 0.0797-0.0648 ( 9917 PWs) bands (ev): -16.7656 -16.7656 -16.5560 -16.5560 -15.6967 -15.6967 -14.7813 -14.7813 -13.4146 -13.4146 -12.7879 -12.7879 -12.0435 -12.0435 -9.8811 -9.8811 -9.5171 -9.5171 -8.9172 -8.9172 -6.9250 -6.9250 -5.7634 -5.7634 -5.0869 -5.0869 -4.9653 -4.9653 -4.5865 -4.5865 -4.5103 -4.5103 -3.5285 -3.5285 -3.4027 -3.4027 -3.1691 -3.1691 -2.7466 -2.7466 -2.6334 -2.6334 -2.4290 -2.4290 -2.2814 -2.2814 -1.9714 -1.9714 -1.7046 -1.7046 -1.6700 -1.6700 -1.4086 -1.4086 -1.2022 -1.2022 -0.8300 -0.8300 -0.5569 -0.5569 -0.2394 -0.2394 0.0968 0.0968 4.2322 4.2322 4.5243 4.5243 5.8917 5.8917 6.3826 6.3826 6.5328 6.5328 7.1966 7.1966 k = 0.1552 0.0896-0.0729 ( 9920 PWs) bands (ev): -16.7627 -16.7627 -16.5580 -16.5580 -15.6971 -15.6971 -14.7846 -14.7846 -13.4133 -13.4133 -12.7882 -12.7882 -12.0418 -12.0418 -9.8776 -9.8776 -9.5163 -9.5163 -8.9150 -8.9150 -6.9263 -6.9263 -5.7718 -5.7718 -5.0796 -5.0796 -4.9781 -4.9781 -4.5888 -4.5888 -4.5057 -4.5057 -3.5265 -3.5265 -3.4056 -3.4056 -3.1824 -3.1824 -2.7557 -2.7557 -2.6166 -2.6166 -2.4229 -2.4229 -2.2803 -2.2803 -1.9658 -1.9658 -1.7057 -1.7057 -1.6884 -1.6884 -1.4079 -1.4079 -1.1883 -1.1883 -0.8219 -0.8219 -0.5587 -0.5587 -0.2362 -0.2362 0.0969 0.0969 4.2302 4.2302 4.5243 4.5243 5.9156 5.9156 6.3979 6.3979 6.5458 6.5458 7.2026 7.2026 k = 0.1724 0.0996-0.0810 ( 9925 PWs) bands (ev): -16.7596 -16.7596 -16.5602 -16.5602 -15.6976 -15.6976 -14.7882 -14.7882 -13.4119 -13.4119 -12.7886 -12.7886 -12.0399 -12.0399 -9.8739 -9.8739 -9.5155 -9.5155 -8.9126 -8.9126 -6.9278 -6.9278 -5.7805 -5.7805 -5.0715 -5.0715 -4.9919 -4.9919 -4.5914 -4.5914 -4.5013 -4.5013 -3.5243 -3.5243 -3.4082 -3.4082 -3.1965 -3.1965 -2.7653 -2.7653 -2.5990 -2.5990 -2.4160 -2.4160 -2.2790 -2.2790 -1.9601 -1.9601 -1.7093 -1.7093 -1.7052 -1.7052 -1.4080 -1.4080 -1.1738 -1.1738 -0.8132 -0.8132 -0.5600 -0.5600 -0.2331 -0.2331 0.0970 0.0970 4.2282 4.2282 4.5241 4.5241 5.9416 5.9416 6.4148 6.4148 6.5598 6.5598 7.2093 7.2093 k = 0.1897 0.1095-0.0891 ( 9913 PWs) bands (ev): -16.7561 -16.7561 -16.5625 -16.5625 -15.6981 -15.6981 -14.7919 -14.7919 -13.4104 -13.4104 -12.7891 -12.7891 -12.0379 -12.0379 -9.8699 -9.8699 -9.5146 -9.5146 -8.9101 -8.9101 -6.9293 -6.9293 -5.7894 -5.7894 -5.0628 -5.0628 -5.0064 -5.0064 -4.5942 -4.5942 -4.4969 -4.4969 -3.5219 -3.5219 -3.4102 -3.4102 -3.2112 -3.2112 -2.7755 -2.7755 -2.5809 -2.5809 -2.4081 -2.4081 -2.2777 -2.2777 -1.9543 -1.9543 -1.7279 -1.7279 -1.7078 -1.7078 -1.4088 -1.4088 -1.1589 -1.1589 -0.8041 -0.8041 -0.5606 -0.5606 -0.2301 -0.2301 0.0971 0.0971 4.2263 4.2263 4.5238 4.5238 5.9693 5.9693 6.4332 6.4332 6.5747 6.5747 7.2165 7.2165 k = 0.2069 0.1195-0.0972 ( 9899 PWs) bands (ev): -16.7524 -16.7524 -16.5651 -16.5651 -15.6986 -15.6986 -14.7959 -14.7959 -13.4088 -13.4088 -12.7895 -12.7895 -12.0359 -12.0359 -9.8658 -9.8658 -9.5137 -9.5137 -8.9074 -8.9074 -6.9310 -6.9310 -5.7984 -5.7984 -5.0537 -5.0537 -5.0215 -5.0215 -4.5974 -4.5974 -4.4929 -4.4929 -3.5194 -3.5194 -3.4118 -3.4118 -3.2264 -3.2264 -2.7861 -2.7861 -2.5629 -2.5629 -2.3993 -2.3993 -2.2761 -2.2761 -1.9485 -1.9485 -1.7479 -1.7479 -1.7096 -1.7096 -1.4103 -1.4103 -1.1438 -1.1438 -0.7947 -0.7947 -0.5604 -0.5604 -0.2273 -0.2273 0.0971 0.0971 4.2246 4.2246 4.5232 4.5232 5.9986 5.9986 6.4530 6.4530 6.5902 6.5902 7.2239 7.2239 k = 0.2241 0.1295-0.1053 ( 9901 PWs) bands (ev): -16.7485 -16.7485 -16.5679 -16.5679 -15.6991 -15.6991 -14.7999 -14.7999 -13.4072 -13.4072 -12.7900 -12.7900 -12.0338 -12.0338 -9.8615 -9.8615 -9.5128 -9.5128 -8.9047 -8.9047 -6.9328 -6.9328 -5.8072 -5.8072 -5.0450 -5.0450 -5.0361 -5.0361 -4.6009 -4.6009 -4.4892 -4.4892 -3.5168 -3.5168 -3.4128 -3.4128 -3.2417 -3.2417 -2.7968 -2.7968 -2.5453 -2.5453 -2.3891 -2.3891 -2.2744 -2.2744 -1.9428 -1.9428 -1.7681 -1.7681 -1.7116 -1.7116 -1.4125 -1.4125 -1.1289 -1.1289 -0.7849 -0.7849 -0.5594 -0.5594 -0.2249 -0.2249 0.0970 0.0970 4.2232 4.2232 4.5223 4.5223 6.0290 6.0290 6.4742 6.4742 6.6063 6.6063 7.2312 7.2312 k = 0.2414 0.1394-0.1134 ( 9900 PWs) bands (ev): -16.7444 -16.7444 -16.5708 -16.5708 -15.6996 -15.6996 -14.8040 -14.8040 -13.4056 -13.4056 -12.7904 -12.7904 -12.0316 -12.0316 -9.8571 -9.8571 -9.5118 -9.5118 -8.9019 -8.9019 -6.9347 -6.9347 -5.8159 -5.8159 -5.0542 -5.0542 -5.0328 -5.0328 -4.6046 -4.6046 -4.4859 -4.4859 -3.5141 -3.5141 -3.4131 -3.4131 -3.2571 -3.2571 -2.8078 -2.8078 -2.5286 -2.5286 -2.3775 -2.3775 -2.2726 -2.2726 -1.9373 -1.9373 -1.7883 -1.7883 -1.7141 -1.7141 -1.4153 -1.4153 -1.1143 -1.1143 -0.7748 -0.7748 -0.5576 -0.5576 -0.2229 -0.2229 0.0968 0.0968 4.2220 4.2220 4.5212 4.5212 6.0603 6.0603 6.4965 6.4965 6.6228 6.6228 7.2380 7.2380 k = 0.2586 0.1494-0.1215 ( 9900 PWs) bands (ev): -16.7400 -16.7400 -16.5739 -16.5739 -15.7002 -15.7002 -14.8081 -14.8081 -13.4041 -13.4041 -12.7909 -12.7909 -12.0294 -12.0294 -9.8527 -9.8527 -9.5108 -9.5108 -8.8991 -8.8991 -6.9367 -6.9367 -5.8242 -5.8242 -5.0700 -5.0700 -5.0225 -5.0225 -4.6087 -4.6087 -4.4831 -4.4831 -3.5114 -3.5114 -3.4129 -3.4129 -3.2723 -3.2723 -2.8187 -2.8187 -2.5133 -2.5133 -2.3643 -2.3643 -2.2704 -2.2704 -1.9320 -1.9320 -1.8084 -1.8084 -1.7169 -1.7169 -1.4186 -1.4186 -1.1005 -1.1005 -0.7644 -0.7644 -0.5548 -0.5548 -0.2213 -0.2213 0.0966 0.0966 4.2211 4.2211 4.5197 4.5197 6.0922 6.0922 6.5199 6.5199 6.6394 6.6394 7.2436 7.2436 k = 0.2759 0.1593-0.1296 ( 9901 PWs) bands (ev): -16.7355 -16.7355 -16.5772 -16.5772 -15.7007 -15.7007 -14.8122 -14.8122 -13.4025 -13.4025 -12.7913 -12.7913 -12.0272 -12.0272 -9.8484 -9.8484 -9.5098 -9.5098 -8.8963 -8.8963 -6.9386 -6.9386 -5.8321 -5.8321 -5.0860 -5.0860 -5.0117 -5.0117 -4.6130 -4.6130 -4.4807 -4.4807 -3.5086 -3.5086 -3.4120 -3.4120 -3.2873 -3.2873 -2.8295 -2.8295 -2.4996 -2.4996 -2.3494 -2.3494 -2.2681 -2.2681 -1.9271 -1.9271 -1.8281 -1.8281 -1.7203 -1.7203 -1.4224 -1.4224 -1.0876 -1.0876 -0.7537 -0.7537 -0.5512 -0.5512 -0.2201 -0.2201 0.0962 0.0962 4.2205 4.2205 4.5179 4.5179 6.1242 6.1242 6.5443 6.5443 6.6559 6.6559 7.2475 7.2475 k = 0.2931 0.1693-0.1377 ( 9899 PWs) bands (ev): -16.7309 -16.7309 -16.5807 -16.5807 -15.7012 -15.7012 -14.8162 -14.8162 -13.4010 -13.4010 -12.7918 -12.7918 -12.0250 -12.0250 -9.8441 -9.8441 -9.5089 -9.5089 -8.8935 -8.8935 -6.9406 -6.9406 -5.8395 -5.8395 -5.1018 -5.1018 -5.0007 -5.0007 -4.6176 -4.6176 -4.4788 -4.4788 -3.5058 -3.5058 -3.4106 -3.4106 -3.3017 -3.3017 -2.8401 -2.8401 -2.4878 -2.4878 -2.3328 -2.3328 -2.2655 -2.2655 -1.9227 -1.9227 -1.8472 -1.8472 -1.7240 -1.7240 -1.4266 -1.4266 -1.0757 -1.0757 -0.7428 -0.7428 -0.5469 -0.5469 -0.2194 -0.2194 0.0958 0.0958 4.2203 4.2203 4.5157 4.5157 6.1560 6.1560 6.5694 6.5694 6.6722 6.6722 7.2490 7.2490 k = 0.3103 0.1793-0.1458 ( 9890 PWs) bands (ev): -16.7263 -16.7263 -16.5842 -16.5842 -15.7017 -15.7017 -14.8200 -14.8200 -13.3995 -13.3995 -12.7922 -12.7922 -12.0229 -12.0229 -9.8399 -9.8399 -9.5080 -9.5080 -8.8909 -8.8909 -6.9426 -6.9426 -5.8463 -5.8463 -5.1172 -5.1172 -4.9897 -4.9897 -4.6223 -4.6223 -4.4774 -4.4774 -3.5031 -3.5031 -3.4088 -3.4088 -3.3155 -3.3155 -2.8503 -2.8503 -2.4777 -2.4777 -2.3149 -2.3149 -2.2627 -2.2627 -1.9188 -1.9188 -1.8656 -1.8656 -1.7283 -1.7283 -1.4310 -1.4310 -1.0651 -1.0651 -0.7315 -0.7315 -0.5421 -0.5421 -0.2191 -0.2191 0.0954 0.0954 4.2204 4.2204 4.5133 4.5133 6.1872 6.1872 6.5951 6.5951 6.6881 6.6881 7.2476 7.2476 k = 0.3276 0.1892-0.1539 ( 9879 PWs) bands (ev): -16.7215 -16.7215 -16.5878 -16.5878 -15.7022 -15.7022 -14.8237 -14.8237 -13.3982 -13.3982 -12.7927 -12.7927 -12.0209 -12.0209 -9.8359 -9.8359 -9.5071 -9.5071 -8.8883 -8.8883 -6.9446 -6.9446 -5.8526 -5.8526 -5.1320 -5.1320 -4.9788 -4.9788 -4.6272 -4.6272 -4.4763 -4.4763 -3.5005 -3.5005 -3.4066 -3.4066 -3.3286 -3.3286 -2.8601 -2.8601 -2.4693 -2.4693 -2.2961 -2.2961 -2.2596 -2.2596 -1.9160 -1.9160 -1.8828 -1.8828 -1.7329 -1.7329 -1.4355 -1.4355 -1.0558 -1.0558 -0.7199 -0.7199 -0.5370 -0.5370 -0.2193 -0.2193 0.0948 0.0948 4.2209 4.2209 4.5107 4.5107 6.2174 6.2174 6.6213 6.6213 6.7034 6.7034 7.2427 7.2427 k = 0.3448 0.1992-0.1620 ( 9884 PWs) bands (ev): -16.7168 -16.7168 -16.5915 -16.5915 -15.7027 -15.7027 -14.8271 -14.8271 -13.3969 -13.3969 -12.7931 -12.7931 -12.0190 -12.0190 -9.8322 -9.8322 -9.5063 -9.5063 -8.8858 -8.8858 -6.9465 -6.9465 -5.8582 -5.8582 -5.1460 -5.1460 -4.9681 -4.9681 -4.6321 -4.6321 -4.4756 -4.4756 -3.4980 -3.4980 -3.4042 -3.4042 -3.3407 -3.3407 -2.8694 -2.8694 -2.4624 -2.4624 -2.2767 -2.2767 -2.2563 -2.2563 -1.9156 -1.9156 -1.8972 -1.8972 -1.7379 -1.7379 -1.4400 -1.4400 -1.0479 -1.0479 -0.7082 -0.7082 -0.5317 -0.5317 -0.2199 -0.2199 0.0942 0.0942 4.2217 4.2217 4.5078 4.5078 6.2462 6.2462 6.6478 6.6478 6.7179 6.7179 7.2343 7.2343 k = 0.3621 0.2091-0.1701 ( 9874 PWs) bands (ev): -16.7121 -16.7121 -16.5952 -16.5952 -15.7032 -15.7032 -14.8303 -14.8303 -13.3957 -13.3957 -12.7934 -12.7934 -12.0172 -12.0172 -9.8287 -9.8287 -9.5055 -9.5055 -8.8836 -8.8836 -6.9483 -6.9483 -5.8631 -5.8631 -5.1591 -5.1591 -4.9578 -4.9578 -4.6371 -4.6371 -4.4752 -4.4752 -3.4956 -3.4956 -3.4017 -3.4017 -3.3519 -3.3519 -2.8779 -2.8779 -2.4567 -2.4567 -2.2579 -2.2579 -2.2523 -2.2523 -1.9227 -1.9227 -1.9035 -1.9035 -1.7431 -1.7431 -1.4444 -1.4444 -1.0412 -1.0412 -0.6966 -0.6966 -0.5266 -0.5266 -0.2208 -0.2208 0.0936 0.0936 4.2228 4.2228 4.5048 4.5048 6.2733 6.2733 6.6743 6.6743 6.7314 6.7314 7.2223 7.2223 k = 0.3793 0.2191-0.1782 ( 9863 PWs) bands (ev): -16.7076 -16.7076 -16.5989 -16.5989 -15.7036 -15.7036 -14.8333 -14.8333 -13.3946 -13.3946 -12.7938 -12.7938 -12.0155 -12.0155 -9.8255 -9.8255 -9.5048 -9.5048 -8.8815 -8.8815 -6.9499 -6.9499 -5.8675 -5.8675 -5.1710 -5.1710 -4.9480 -4.9480 -4.6420 -4.6420 -4.4751 -4.4751 -3.4934 -3.4934 -3.3992 -3.3992 -3.3618 -3.3618 -2.8858 -2.8858 -2.4520 -2.4520 -2.2499 -2.2499 -2.2379 -2.2379 -1.9352 -1.9352 -1.9038 -1.9038 -1.7484 -1.7484 -1.4486 -1.4486 -1.0357 -1.0357 -0.6852 -0.6852 -0.5217 -0.5217 -0.2220 -0.2220 0.0930 0.0930 4.2240 4.2240 4.5018 4.5018 6.2983 6.2983 6.7007 6.7007 6.7438 6.7438 7.2071 7.2071 k = 0.3966 0.2290-0.1863 ( 9859 PWs) bands (ev): -16.7032 -16.7032 -16.6025 -16.6025 -15.7039 -15.7039 -14.8359 -14.8359 -13.3937 -13.3937 -12.7941 -12.7941 -12.0141 -12.0141 -9.8226 -9.8226 -9.5041 -9.5041 -8.8796 -8.8796 -6.9515 -6.9515 -5.8712 -5.8712 -5.1817 -5.1817 -4.9389 -4.9389 -4.6467 -4.6467 -4.4751 -4.4751 -3.4915 -3.4915 -3.3970 -3.3970 -3.3705 -3.3705 -2.8928 -2.8928 -2.4483 -2.4483 -2.2464 -2.2464 -2.2201 -2.2201 -1.9479 -1.9479 -1.9032 -1.9032 -1.7536 -1.7536 -1.4525 -1.4525 -1.0313 -1.0313 -0.6743 -0.6743 -0.5173 -0.5173 -0.2233 -0.2233 0.0924 0.0924 4.2254 4.2254 4.4989 4.4989 6.3207 6.3207 6.7266 6.7266 6.7549 6.7549 7.1893 7.1893 k = 0.4138 0.2390-0.1944 ( 9854 PWs) bands (ev): -16.6992 -16.6992 -16.6058 -16.6058 -15.7042 -15.7042 -14.8381 -14.8381 -13.3928 -13.3928 -12.7943 -12.7943 -12.0128 -12.0128 -9.8202 -9.8202 -9.5036 -9.5036 -8.8780 -8.8780 -6.9528 -6.9528 -5.8742 -5.8742 -5.1911 -5.1911 -4.9307 -4.9307 -4.6510 -4.6510 -4.4752 -4.4752 -3.4897 -3.4897 -3.3953 -3.3953 -3.3776 -3.3776 -2.8988 -2.8988 -2.4453 -2.4453 -2.2431 -2.2431 -2.2037 -2.2037 -1.9594 -1.9594 -1.9028 -1.9028 -1.7585 -1.7585 -1.4559 -1.4559 -1.0278 -1.0278 -0.6643 -0.6643 -0.5135 -0.5135 -0.2246 -0.2246 0.0919 0.0919 4.2267 4.2267 4.4962 4.4962 6.3403 6.3403 6.7514 6.7514 6.7647 6.7647 7.1699 7.1699 k = 0.4310 0.2490-0.2025 ( 9856 PWs) bands (ev): -16.6956 -16.6956 -16.6089 -16.6089 -15.7045 -15.7045 -14.8400 -14.8400 -13.3922 -13.3922 -12.7945 -12.7945 -12.0117 -12.0117 -9.8181 -9.8181 -9.5031 -9.5031 -8.8767 -8.8767 -6.9539 -6.9539 -5.8767 -5.8767 -5.1989 -5.1989 -4.9237 -4.9237 -4.6548 -4.6548 -4.4754 -4.4754 -3.4883 -3.4883 -3.3946 -3.3946 -3.3825 -3.3825 -2.9039 -2.9039 -2.4430 -2.4430 -2.2401 -2.2401 -2.1892 -2.1892 -1.9692 -1.9692 -1.9028 -1.9028 -1.7629 -1.7629 -1.4589 -1.4589 -1.0252 -1.0252 -0.6554 -0.6554 -0.5103 -0.5103 -0.2259 -0.2259 0.0914 0.0914 4.2280 4.2280 4.4937 4.4937 6.3568 6.3568 6.7712 6.7712 6.7764 6.7764 7.1501 7.1501 k = 0.4483 0.2589-0.2106 ( 9847 PWs) bands (ev): -16.6925 -16.6925 -16.6114 -16.6114 -15.7047 -15.7047 -14.8415 -14.8415 -13.3916 -13.3916 -12.7947 -12.7947 -12.0109 -12.0109 -9.8165 -9.8165 -9.5028 -9.5028 -8.8756 -8.8756 -6.9548 -6.9548 -5.8786 -5.8786 -5.2050 -5.2050 -4.9179 -4.9179 -4.6580 -4.6580 -4.4756 -4.4756 -3.4871 -3.4871 -3.3957 -3.3957 -3.3848 -3.3848 -2.9079 -2.9079 -2.4413 -2.4413 -2.2375 -2.2375 -2.1773 -2.1773 -1.9772 -1.9772 -1.9030 -1.9030 -1.7666 -1.7666 -1.4612 -1.4612 -1.0233 -1.0233 -0.6481 -0.6481 -0.5079 -0.5079 -0.2271 -0.2271 0.0909 0.0909 4.2292 4.2292 4.4917 4.4917 6.3700 6.3700 6.7785 6.7785 6.7963 6.7963 7.1315 7.1315 k = 0.4655 0.2689-0.2187 ( 9856 PWs) bands (ev): -16.6902 -16.6902 -16.6135 -16.6135 -15.7049 -15.7049 -14.8425 -14.8425 -13.3912 -13.3912 -12.7948 -12.7948 -12.0103 -12.0103 -9.8153 -9.8153 -9.5025 -9.5025 -8.8748 -8.8748 -6.9555 -6.9555 -5.8800 -5.8800 -5.2095 -5.2095 -4.9137 -4.9137 -4.6605 -4.6605 -4.4758 -4.4758 -3.4863 -3.4863 -3.3977 -3.3977 -3.3852 -3.3852 -2.9108 -2.9108 -2.4401 -2.4401 -2.2356 -2.2356 -2.1683 -2.1683 -1.9830 -1.9830 -1.9034 -1.9034 -1.7694 -1.7694 -1.4630 -1.4630 -1.0220 -1.0220 -0.6425 -0.6425 -0.5062 -0.5062 -0.2280 -0.2280 0.0906 0.0906 4.2301 4.2301 4.4901 4.4901 6.3795 6.3795 6.7832 6.7832 6.8131 6.8131 7.1157 7.1157 k = 0.4828 0.2788-0.2268 ( 9863 PWs) bands (ev): -16.6887 -16.6887 -16.6147 -16.6147 -15.7049 -15.7049 -14.8432 -14.8432 -13.3910 -13.3910 -12.7949 -12.7949 -12.0099 -12.0099 -9.8146 -9.8146 -9.5023 -9.5023 -8.8744 -8.8744 -6.9559 -6.9559 -5.8808 -5.8808 -5.2122 -5.2122 -4.9111 -4.9111 -4.6620 -4.6620 -4.4759 -4.4759 -3.4858 -3.4858 -3.3992 -3.3992 -3.3850 -3.3850 -2.9125 -2.9125 -2.4394 -2.4394 -2.2344 -2.2344 -2.1627 -2.1627 -1.9865 -1.9865 -1.9037 -1.9037 -1.7711 -1.7711 -1.4640 -1.4640 -1.0212 -1.0212 -0.6391 -0.6391 -0.5052 -0.5052 -0.2285 -0.2285 0.0904 0.0904 4.2306 4.2306 4.4892 4.4892 6.3852 6.3852 6.7860 6.7860 6.8243 6.8243 7.1051 7.1051 k = 0.5000 0.2888-0.2349 ( 9864 PWs) bands (ev): -16.6882 -16.6882 -16.6152 -16.6152 -15.7050 -15.7050 -14.8434 -14.8434 -13.3909 -13.3909 -12.7949 -12.7949 -12.0098 -12.0098 -9.8143 -9.8143 -9.5023 -9.5023 -8.8742 -8.8742 -6.9560 -6.9560 -5.8810 -5.8810 -5.2131 -5.2131 -4.9102 -4.9102 -4.6625 -4.6625 -4.4760 -4.4760 -3.4856 -3.4856 -3.3998 -3.3998 -3.3849 -3.3849 -2.9131 -2.9131 -2.4392 -2.4392 -2.2340 -2.2340 -2.1608 -2.1608 -1.9877 -1.9877 -1.9038 -1.9038 -1.7717 -1.7717 -1.4644 -1.4644 -1.0210 -1.0210 -0.6380 -0.6380 -0.5049 -0.5049 -0.2287 -0.2287 0.0904 0.0904 4.2308 4.2308 4.4889 4.4889 6.3872 6.3872 6.7870 6.7870 6.8282 6.8282 7.1012 7.1012 k = 0.5000 0.2888-0.2349 ( 9864 PWs) bands (ev): -16.6882 -16.6882 -16.6152 -16.6152 -15.7050 -15.7050 -14.8434 -14.8434 -13.3909 -13.3909 -12.7949 -12.7949 -12.0098 -12.0098 -9.8143 -9.8143 -9.5023 -9.5023 -8.8742 -8.8742 -6.9560 -6.9560 -5.8810 -5.8810 -5.2131 -5.2131 -4.9102 -4.9102 -4.6625 -4.6625 -4.4760 -4.4760 -3.4856 -3.4856 -3.3998 -3.3998 -3.3849 -3.3849 -2.9131 -2.9131 -2.4392 -2.4392 -2.2340 -2.2340 -2.1608 -2.1608 -1.9877 -1.9877 -1.9038 -1.9038 -1.7717 -1.7717 -1.4644 -1.4644 -1.0210 -1.0210 -0.6380 -0.6380 -0.5049 -0.5049 -0.2287 -0.2287 0.0904 0.0904 4.2308 4.2308 4.4889 4.4889 6.3872 6.3872 6.7870 6.7870 6.8282 6.8282 7.1012 7.1012 k = 0.5071 0.2929-0.2149 ( 9859 PWs) bands (ev): -16.6882 -16.6882 -16.6151 -16.6151 -15.7050 -15.7050 -14.8436 -14.8436 -13.3911 -13.3911 -12.7949 -12.7949 -12.0097 -12.0097 -9.8141 -9.8141 -9.5024 -9.5024 -8.8744 -8.8744 -6.9561 -6.9561 -5.8813 -5.8813 -5.2118 -5.2118 -4.9104 -4.9104 -4.6621 -4.6621 -4.4754 -4.4754 -3.4854 -3.4854 -3.4177 -3.4177 -3.3664 -3.3664 -2.9130 -2.9130 -2.4392 -2.4392 -2.2340 -2.2340 -2.1606 -2.1606 -1.9882 -1.9882 -1.9060 -1.9060 -1.7707 -1.7707 -1.4639 -1.4639 -1.0236 -1.0236 -0.6386 -0.6386 -0.5053 -0.5053 -0.2289 -0.2289 0.0906 0.0906 4.2333 4.2333 4.4903 4.4903 6.3875 6.3875 6.7865 6.7865 6.8278 6.8278 7.1002 7.1002 k = 0.5141 0.2970-0.1949 ( 9845 PWs) bands (ev): -16.6882 -16.6882 -16.6148 -16.6148 -15.7050 -15.7050 -14.8442 -14.8442 -13.3914 -13.3914 -12.7948 -12.7948 -12.0094 -12.0094 -9.8132 -9.8132 -9.5028 -9.5028 -8.8751 -8.8751 -6.9562 -6.9562 -5.8820 -5.8820 -5.2077 -5.2077 -4.9111 -4.9111 -4.6611 -4.6611 -4.4737 -4.4737 -3.4849 -3.4849 -3.4407 -3.4407 -3.3415 -3.3415 -2.9125 -2.9125 -2.4391 -2.4391 -2.2343 -2.2343 -2.1600 -2.1600 -1.9895 -1.9895 -1.9124 -1.9124 -1.7681 -1.7681 -1.4622 -1.4622 -1.0313 -1.0313 -0.6407 -0.6407 -0.5066 -0.5066 -0.2293 -0.2293 0.0911 0.0911 4.2408 4.2408 4.4948 4.4948 6.3883 6.3883 6.7849 6.7849 6.8266 6.8266 7.0972 7.0972 k = 0.5212 0.3010-0.1749 ( 9853 PWs) bands (ev): -16.6881 -16.6881 -16.6143 -16.6143 -15.7051 -15.7051 -14.8453 -14.8453 -13.3920 -13.3920 -12.7947 -12.7947 -12.0088 -12.0088 -9.8118 -9.8118 -9.5034 -9.5034 -8.8761 -8.8761 -6.9565 -6.9565 -5.8831 -5.8831 -5.2010 -5.2010 -4.9123 -4.9123 -4.6595 -4.6595 -4.4709 -4.4709 -3.4848 -3.4848 -3.4626 -3.4626 -3.3158 -3.3158 -2.9116 -2.9116 -2.4391 -2.4391 -2.2348 -2.2348 -2.1589 -2.1589 -1.9917 -1.9917 -1.9225 -1.9225 -1.7642 -1.7642 -1.4596 -1.4596 -1.0440 -1.0440 -0.6441 -0.6441 -0.5088 -0.5088 -0.2299 -0.2299 0.0921 0.0921 4.2531 4.2531 4.5023 4.5023 6.3896 6.3896 6.7823 6.7823 6.8246 6.8246 7.0918 7.0918 k = 0.5282 0.3051-0.1548 ( 9847 PWs) bands (ev): -16.6880 -16.6880 -16.6136 -16.6136 -15.7051 -15.7051 -14.8467 -14.8467 -13.3927 -13.3927 -12.7945 -12.7945 -12.0081 -12.0081 -9.8099 -9.8099 -9.5042 -9.5042 -8.8776 -8.8776 -6.9569 -6.9569 -5.8845 -5.8845 -5.1919 -5.1919 -4.9138 -4.9138 -4.6573 -4.6573 -4.4670 -4.4670 -3.4916 -3.4916 -3.4765 -3.4765 -3.2898 -3.2898 -2.9105 -2.9105 -2.4389 -2.4389 -2.2355 -2.2355 -2.1575 -2.1575 -1.9946 -1.9946 -1.9355 -1.9355 -1.7596 -1.7596 -1.4561 -1.4561 -1.0615 -1.0615 -0.6488 -0.6488 -0.5119 -0.5119 -0.2307 -0.2307 0.0934 0.0934 4.2700 4.2700 4.5127 4.5127 6.3914 6.3914 6.7788 6.7788 6.8218 6.8218 7.0839 7.0839 k = 0.5353 0.3092-0.1348 ( 9852 PWs) bands (ev): -16.6878 -16.6878 -16.6127 -16.6127 -15.7052 -15.7052 -14.8484 -14.8484 -13.3937 -13.3937 -12.7942 -12.7942 -12.0072 -12.0072 -9.8075 -9.8075 -9.5053 -9.5053 -8.8795 -8.8795 -6.9573 -6.9573 -5.8860 -5.8860 -5.1806 -5.1806 -4.9158 -4.9158 -4.6544 -4.6544 -4.4620 -4.4620 -3.5108 -3.5108 -3.4769 -3.4769 -3.2634 -3.2634 -2.9090 -2.9090 -2.4387 -2.4387 -2.2364 -2.2364 -2.1556 -2.1556 -1.9982 -1.9982 -1.9507 -1.9507 -1.7547 -1.7547 -1.4519 -1.4519 -1.0835 -1.0835 -0.6547 -0.6547 -0.5160 -0.5160 -0.2317 -0.2317 0.0950 0.0950 4.2912 4.2912 4.5260 4.5260 6.3934 6.3934 6.7745 6.7745 6.8182 6.8182 7.0730 7.0730 k = 0.5423 0.3133-0.1148 ( 9862 PWs) bands (ev): -16.6877 -16.6877 -16.6117 -16.6117 -15.7053 -15.7053 -14.8505 -14.8505 -13.3949 -13.3949 -12.7939 -12.7939 -12.0062 -12.0062 -9.8047 -9.8047 -9.5065 -9.5065 -8.8817 -8.8817 -6.9579 -6.9579 -5.8876 -5.8876 -5.1673 -5.1673 -4.9182 -4.9182 -4.6511 -4.6511 -4.4558 -4.4558 -3.5315 -3.5315 -3.4748 -3.4748 -3.2369 -3.2369 -2.9072 -2.9072 -2.4385 -2.4385 -2.2375 -2.2375 -2.1533 -2.1533 -2.0026 -2.0026 -1.9675 -1.9675 -1.7499 -1.7499 -1.4470 -1.4470 -1.1097 -1.1097 -0.6618 -0.6618 -0.5213 -0.5213 -0.2328 -0.2328 0.0969 0.0969 4.3163 4.3163 4.5422 4.5422 6.3955 6.3955 6.7695 6.7695 6.8135 6.8135 7.0587 7.0587 k = 0.5494 0.3173-0.0947 ( 9858 PWs) bands (ev): -16.6875 -16.6875 -16.6105 -16.6105 -15.7055 -15.7055 -14.8528 -14.8528 -13.3963 -13.3963 -12.7935 -12.7935 -12.0049 -12.0049 -9.8014 -9.8014 -9.5079 -9.5079 -8.8843 -8.8843 -6.9586 -6.9586 -5.8891 -5.8891 -5.1522 -5.1522 -4.9208 -4.9208 -4.6474 -4.6474 -4.4486 -4.4486 -3.5520 -3.5520 -3.4718 -3.4718 -3.2104 -3.2104 -2.9051 -2.9051 -2.4381 -2.4381 -2.2390 -2.2390 -2.1507 -2.1507 -2.0082 -2.0082 -1.9845 -1.9845 -1.7453 -1.7453 -1.4417 -1.4417 -1.1397 -1.1397 -0.6699 -0.6699 -0.5278 -0.5278 -0.2339 -0.2339 0.0990 0.0990 4.3448 4.3448 4.5612 4.5612 6.3977 6.3977 6.7639 6.7639 6.8077 6.8077 7.0411 7.0411 k = 0.5564 0.3214-0.0747 ( 9848 PWs) bands (ev): -16.6874 -16.6874 -16.6091 -16.6091 -15.7057 -15.7057 -14.8553 -14.8553 -13.3979 -13.3979 -12.7932 -12.7932 -12.0036 -12.0036 -9.7979 -9.7979 -9.5095 -9.5095 -8.8873 -8.8873 -6.9594 -6.9594 -5.8902 -5.8902 -5.1357 -5.1357 -4.9238 -4.9238 -4.6432 -4.6432 -4.4404 -4.4404 -3.5718 -3.5718 -3.4684 -3.4684 -3.1840 -3.1840 -2.9027 -2.9027 -2.4376 -2.4376 -2.2407 -2.2407 -2.1476 -2.1476 -2.0178 -2.0178 -1.9986 -1.9986 -1.7412 -1.7412 -1.4361 -1.4361 -1.1730 -1.1730 -0.6791 -0.6791 -0.5355 -0.5355 -0.2349 -0.2349 0.1014 0.1014 4.3764 4.3764 4.5829 4.5829 6.3995 6.3995 6.7579 6.7579 6.8004 6.8004 7.0202 7.0202 k = 0.5635 0.3255-0.0547 ( 9856 PWs) bands (ev): -16.6873 -16.6873 -16.6076 -16.6076 -15.7059 -15.7059 -14.8580 -14.8580 -13.3996 -13.3996 -12.7927 -12.7927 -12.0022 -12.0022 -9.7941 -9.7941 -9.5113 -9.5113 -8.8905 -8.8905 -6.9602 -6.9602 -5.8910 -5.8910 -5.1180 -5.1180 -4.9270 -4.9270 -4.6388 -4.6388 -4.4312 -4.4312 -3.5911 -3.5911 -3.4646 -3.4646 -3.1579 -3.1579 -2.9000 -2.9000 -2.4371 -2.4371 -2.2427 -2.2427 -2.1443 -2.1443 -2.0340 -2.0340 -2.0066 -2.0066 -1.7374 -1.7374 -1.4306 -1.4306 -1.2089 -1.2089 -0.6892 -0.6892 -0.5445 -0.5445 -0.2359 -0.2359 0.1039 0.1039 4.4105 4.4105 4.6071 4.6071 6.4009 6.4009 6.7518 6.7518 6.7910 6.7910 6.9966 6.9966 k = 0.5706 0.3296-0.0347 ( 9858 PWs) bands (ev): -16.6873 -16.6873 -16.6059 -16.6059 -15.7061 -15.7061 -14.8607 -14.8607 -13.4015 -13.4015 -12.7923 -12.7923 -12.0007 -12.0007 -9.7901 -9.7901 -9.5131 -9.5131 -8.8940 -8.8940 -6.9612 -6.9612 -5.8913 -5.8913 -5.0994 -5.0994 -4.9304 -4.9304 -4.6341 -4.6341 -4.4211 -4.4211 -3.6097 -3.6097 -3.4606 -3.4606 -3.1323 -3.1323 -2.8971 -2.8971 -2.4364 -2.4364 -2.2450 -2.2450 -2.1407 -2.1407 -2.0533 -2.0533 -2.0112 -2.0112 -1.7341 -1.7341 -1.4254 -1.4254 -1.2467 -1.2467 -0.7001 -0.7001 -0.5548 -0.5548 -0.2368 -0.2368 0.1066 0.1066 4.4465 4.4465 4.6337 4.6337 6.4015 6.4015 6.7457 6.7457 6.7788 6.7788 6.9712 6.9712 k = 0.5776 0.3336-0.0146 ( 9870 PWs) bands (ev): -16.6873 -16.6873 -16.6042 -16.6042 -15.7063 -15.7063 -14.8634 -14.8634 -13.4035 -13.4035 -12.7918 -12.7918 -11.9992 -11.9992 -9.7859 -9.7859 -9.5151 -9.5151 -8.8976 -8.8976 -6.9622 -6.9622 -5.8909 -5.8909 -5.0802 -5.0802 -4.9341 -4.9341 -4.6292 -4.6292 -4.4101 -4.4101 -3.6277 -3.6277 -3.4563 -3.4563 -3.1074 -3.1074 -2.8938 -2.8938 -2.4357 -2.4357 -2.2478 -2.2478 -2.1373 -2.1373 -2.0730 -2.0730 -2.0142 -2.0142 -1.7313 -1.7313 -1.4210 -1.4210 -1.2855 -1.2855 -0.7117 -0.7117 -0.5663 -0.5663 -0.2377 -0.2377 0.1093 0.1093 4.4840 4.4840 4.6625 4.6625 6.4012 6.4012 6.7398 6.7398 6.7630 6.7630 6.9452 6.9452 k = 0.5847 0.3377 0.0054 ( 9869 PWs) bands (ev): -16.6875 -16.6875 -16.6023 -16.6023 -15.7066 -15.7066 -14.8660 -14.8660 -13.4057 -13.4057 -12.7913 -12.7913 -11.9977 -11.9977 -9.7818 -9.7818 -9.5171 -9.5171 -8.9015 -8.9015 -6.9632 -6.9632 -5.8899 -5.8899 -5.0607 -5.0607 -4.9379 -4.9379 -4.6241 -4.6241 -4.3985 -4.3985 -3.6450 -3.6450 -3.4518 -3.4518 -3.0832 -3.0832 -2.8904 -2.8904 -2.4350 -2.4350 -2.2509 -2.2509 -2.1351 -2.1351 -2.0913 -2.0913 -2.0163 -2.0163 -1.7291 -1.7291 -1.4186 -1.4186 -1.3235 -1.3235 -0.7240 -0.7240 -0.5789 -0.5789 -0.2384 -0.2384 0.1120 0.1120 4.5226 4.5226 4.6931 4.6931 6.3995 6.3995 6.7340 6.7340 6.7431 6.7431 6.9197 6.9197 k = 0.5917 0.3418 0.0254 ( 9881 PWs) bands (ev): -16.6877 -16.6877 -16.6003 -16.6003 -15.7069 -15.7069 -14.8685 -14.8685 -13.4079 -13.4079 -12.7907 -12.7907 -11.9962 -11.9962 -9.7777 -9.7777 -9.5192 -9.5192 -8.9054 -8.9054 -6.9643 -6.9643 -5.8881 -5.8881 -5.0410 -5.0410 -4.9419 -4.9419 -4.6190 -4.6190 -4.3863 -4.3863 -3.6617 -3.6617 -3.4473 -3.4473 -3.0601 -3.0601 -2.8867 -2.8867 -2.4343 -2.4343 -2.2544 -2.2544 -2.1376 -2.1376 -2.1040 -2.1040 -2.0173 -2.0173 -1.7273 -1.7273 -1.4218 -1.4218 -1.3567 -1.3567 -0.7368 -0.7368 -0.5924 -0.5924 -0.2391 -0.2391 0.1145 0.1145 4.5617 4.5617 4.7252 4.7252 6.3964 6.3964 6.7166 6.7166 6.7306 6.7306 6.8954 6.8954 k = 0.5988 0.3459 0.0454 ( 9891 PWs) bands (ev): -16.6880 -16.6880 -16.5983 -16.5983 -15.7072 -15.7072 -14.8708 -14.8708 -13.4102 -13.4102 -12.7902 -12.7902 -11.9948 -11.9948 -9.7737 -9.7737 -9.5213 -9.5213 -8.9094 -8.9094 -6.9655 -6.9655 -5.8855 -5.8855 -5.0213 -5.0213 -4.9459 -4.9459 -4.6139 -4.6139 -4.3738 -4.3738 -3.6777 -3.6777 -3.4428 -3.4428 -3.0382 -3.0382 -2.8827 -2.8827 -2.4338 -2.4338 -2.2582 -2.2582 -2.1489 -2.1489 -2.1068 -2.1068 -2.0172 -2.0172 -1.7261 -1.7261 -1.4391 -1.4391 -1.3758 -1.3758 -0.7502 -0.7502 -0.6067 -0.6067 -0.2398 -0.2398 0.1170 0.1170 4.6010 4.6010 4.7582 4.7582 6.3917 6.3917 6.6870 6.6870 6.7264 6.7264 6.8722 6.8722 k = 0.6058 0.3499 0.0655 ( 9904 PWs) bands (ev): -16.6885 -16.6885 -16.5962 -16.5962 -15.7075 -15.7075 -14.8729 -14.8729 -13.4126 -13.4126 -12.7897 -12.7897 -11.9935 -11.9935 -9.7700 -9.7700 -9.5234 -9.5234 -8.9135 -8.9135 -6.9666 -6.9666 -5.8821 -5.8821 -5.0019 -5.0019 -4.9501 -4.9501 -4.6087 -4.6087 -4.3610 -4.3610 -3.6930 -3.6930 -3.4384 -3.4384 -3.0176 -3.0176 -2.8786 -2.8786 -2.4333 -2.4333 -2.2624 -2.2624 -2.1650 -2.1650 -2.1034 -2.1034 -2.0161 -2.0161 -1.7255 -1.7255 -1.4703 -1.4703 -1.3806 -1.3806 -0.7638 -0.7638 -0.6214 -0.6214 -0.2406 -0.2406 0.1192 0.1192 4.6401 4.6401 4.7916 4.7916 6.3851 6.3851 6.6535 6.6535 6.7235 6.7235 6.8494 6.8494 k = 0.6129 0.3540 0.0855 ( 9898 PWs) bands (ev): -16.6891 -16.6891 -16.5940 -16.5940 -15.7078 -15.7078 -14.8746 -14.8746 -13.4149 -13.4149 -12.7892 -12.7892 -11.9923 -11.9923 -9.7666 -9.7666 -9.5254 -9.5254 -8.9174 -8.9174 -6.9678 -6.9678 -5.8780 -5.8780 -4.9829 -4.9829 -4.9544 -4.9544 -4.6037 -4.6037 -4.3484 -4.3484 -3.7076 -3.7076 -3.4341 -3.4341 -2.9985 -2.9985 -2.8742 -2.8742 -2.4331 -2.4331 -2.2669 -2.2669 -2.1817 -2.1817 -2.0978 -2.0978 -2.0139 -2.0139 -1.7256 -1.7256 -1.5058 -1.5058 -1.3799 -1.3799 -0.7778 -0.7778 -0.6364 -0.6364 -0.2415 -0.2415 0.1212 0.1212 4.6788 4.6788 4.8247 4.8247 6.3768 6.3768 6.6173 6.6173 6.7215 6.7215 6.8261 6.8261 k = 0.6200 0.3581 0.1055 ( 9897 PWs) bands (ev): -16.6899 -16.6899 -16.5919 -16.5919 -15.7082 -15.7082 -14.8759 -14.8759 -13.4173 -13.4173 -12.7887 -12.7887 -11.9913 -11.9913 -9.7636 -9.7636 -9.5274 -9.5274 -8.9213 -8.9213 -6.9689 -6.9689 -5.8732 -5.8732 -4.9645 -4.9645 -4.9588 -4.9588 -4.5987 -4.5987 -4.3360 -4.3360 -3.7217 -3.7217 -3.4300 -3.4300 -2.9811 -2.9811 -2.8697 -2.8697 -2.4331 -2.4331 -2.2716 -2.2716 -2.1977 -2.1977 -2.0914 -2.0914 -2.0105 -2.0105 -1.7266 -1.7266 -1.5407 -1.5407 -1.3779 -1.3779 -0.7918 -0.7918 -0.6512 -0.6512 -0.2426 -0.2426 0.1229 0.1229 4.7165 4.7165 4.8570 4.8570 6.3668 6.3668 6.5799 6.5799 6.7204 6.7204 6.8017 6.8017 k = 0.6200 0.3581 0.1055 ( 9897 PWs) bands (ev): -16.6899 -16.6899 -16.5919 -16.5919 -15.7082 -15.7082 -14.8759 -14.8759 -13.4173 -13.4173 -12.7887 -12.7887 -11.9913 -11.9913 -9.7636 -9.7636 -9.5274 -9.5274 -8.9213 -8.9213 -6.9689 -6.9689 -5.8732 -5.8732 -4.9645 -4.9645 -4.9588 -4.9588 -4.5987 -4.5987 -4.3360 -4.3360 -3.7217 -3.7217 -3.4300 -3.4300 -2.9811 -2.9811 -2.8697 -2.8697 -2.4331 -2.4331 -2.2716 -2.2716 -2.1977 -2.1977 -2.0914 -2.0914 -2.0105 -2.0105 -1.7266 -1.7266 -1.5407 -1.5407 -1.3779 -1.3779 -0.7918 -0.7918 -0.6512 -0.6512 -0.2426 -0.2426 0.1229 0.1229 4.7165 4.7165 4.8570 4.8570 6.3668 6.3668 6.5799 6.5799 6.7204 6.7204 6.8017 6.8017 k = 0.6107 0.3528 0.1236 ( 9900 PWs) bands (ev): -16.6885 -16.6885 -16.5925 -16.5925 -15.7101 -15.7101 -14.8733 -14.8733 -13.4201 -13.4201 -12.7884 -12.7884 -11.9922 -11.9922 -9.7616 -9.7616 -9.5295 -9.5295 -8.9228 -8.9228 -6.9753 -6.9753 -5.8614 -5.8614 -4.9562 -4.9562 -4.9384 -4.9384 -4.5926 -4.5926 -4.3311 -4.3311 -3.7477 -3.7477 -3.4261 -3.4261 -2.9800 -2.9800 -2.8699 -2.8699 -2.4267 -2.4267 -2.2720 -2.2720 -2.1995 -2.1995 -2.0783 -2.0783 -2.0155 -2.0155 -1.7274 -1.7274 -1.5678 -1.5678 -1.3736 -1.3736 -0.8058 -0.8058 -0.6690 -0.6690 -0.2572 -0.2572 0.1228 0.1228 4.7563 4.7563 4.8834 4.8834 6.3822 6.3822 6.5595 6.5595 6.7252 6.7252 6.7861 6.7861 k = 0.6015 0.3474 0.1417 ( 9909 PWs) bands (ev): -16.6873 -16.6873 -16.5929 -16.5929 -15.7119 -15.7119 -14.8705 -14.8705 -13.4230 -13.4230 -12.7881 -12.7881 -11.9932 -11.9932 -9.7599 -9.7599 -9.5315 -9.5315 -8.9242 -8.9242 -6.9815 -6.9815 -5.8489 -5.8489 -4.9539 -4.9539 -4.9127 -4.9127 -4.5865 -4.5865 -4.3265 -4.3265 -3.7734 -3.7734 -3.4223 -3.4223 -2.9791 -2.9791 -2.8698 -2.8698 -2.4209 -2.4209 -2.2723 -2.2723 -2.2014 -2.2014 -2.0653 -2.0653 -2.0201 -2.0201 -1.7289 -1.7289 -1.5935 -1.5935 -1.3691 -1.3691 -0.8199 -0.8199 -0.6863 -0.6863 -0.2718 -0.2718 0.1225 0.1225 4.7957 4.7957 4.9094 4.9094 6.3967 6.3967 6.5352 6.5352 6.7294 6.7294 6.7723 6.7723 k = 0.5923 0.3421 0.1597 ( 9903 PWs) bands (ev): -16.6862 -16.6862 -16.5933 -16.5933 -15.7137 -15.7137 -14.8677 -14.8677 -13.4258 -13.4258 -12.7878 -12.7878 -11.9943 -11.9943 -9.7585 -9.7585 -9.5335 -9.5335 -8.9256 -8.9256 -6.9876 -6.9876 -5.8360 -5.8360 -4.9518 -4.9518 -4.8878 -4.8878 -4.5804 -4.5804 -4.3221 -4.3221 -3.7984 -3.7984 -3.4186 -3.4186 -2.9782 -2.9782 -2.8695 -2.8695 -2.4159 -2.4159 -2.2726 -2.2726 -2.2032 -2.2032 -2.0526 -2.0526 -2.0242 -2.0242 -1.7315 -1.7315 -1.6170 -1.6170 -1.3646 -1.3646 -0.8340 -0.8340 -0.7030 -0.7030 -0.2861 -0.2861 0.1221 0.1221 4.8341 4.8341 4.9349 4.9349 6.4102 6.4102 6.5079 6.5079 6.7331 6.7331 6.7595 6.7595 k = 0.5830 0.3368 0.1778 ( 9901 PWs) bands (ev): -16.6853 -16.6853 -16.5936 -16.5936 -15.7154 -15.7154 -14.8648 -14.8648 -13.4286 -13.4286 -12.7875 -12.7875 -11.9953 -11.9953 -9.7572 -9.7572 -9.5354 -9.5354 -8.9269 -8.9269 -6.9933 -6.9933 -5.8230 -5.8230 -4.9501 -4.9501 -4.8639 -4.8639 -4.5745 -4.5745 -4.3181 -4.3181 -3.8224 -3.8224 -3.4153 -3.4153 -2.9775 -2.9775 -2.8690 -2.8690 -2.4114 -2.4114 -2.2729 -2.2729 -2.2048 -2.2048 -2.0409 -2.0409 -2.0276 -2.0276 -1.7354 -1.7354 -1.6375 -1.6375 -1.3601 -1.3601 -0.8477 -0.8477 -0.7188 -0.7188 -0.2999 -0.2999 0.1214 0.1214 4.8711 4.8711 4.9597 4.9597 6.4227 6.4227 6.4790 6.4790 6.7363 6.7363 6.7474 6.7474 k = 0.5738 0.3314 0.1959 ( 9908 PWs) bands (ev): -16.6846 -16.6846 -16.5939 -16.5939 -15.7170 -15.7170 -14.8620 -14.8620 -13.4312 -13.4312 -12.7872 -12.7872 -11.9963 -11.9963 -9.7562 -9.7562 -9.5372 -9.5372 -8.9282 -8.9282 -6.9986 -6.9986 -5.8101 -5.8101 -4.9486 -4.9486 -4.8415 -4.8415 -4.5688 -4.5688 -4.3144 -4.3144 -3.8450 -3.8450 -3.4122 -3.4122 -2.9768 -2.9768 -2.8683 -2.8683 -2.4076 -2.4076 -2.2731 -2.2731 -2.2061 -2.2061 -2.0341 -2.0341 -2.0263 -2.0263 -1.7414 -1.7414 -1.6544 -1.6544 -1.3558 -1.3558 -0.8607 -0.8607 -0.7336 -0.7336 -0.3129 -0.3129 0.1206 0.1206 4.9061 4.9061 4.9836 4.9836 6.4335 6.4335 6.4498 6.4498 6.7355 6.7355 6.7393 6.7393 k = 0.5646 0.3261 0.2140 ( 9896 PWs) bands (ev): -16.6839 -16.6839 -16.5940 -16.5940 -15.7185 -15.7185 -14.8593 -14.8593 -13.4336 -13.4336 -12.7869 -12.7869 -11.9973 -11.9973 -9.7553 -9.7553 -9.5388 -9.5388 -8.9293 -8.9293 -7.0035 -7.0035 -5.7976 -5.7976 -4.9473 -4.9473 -4.8209 -4.8209 -4.5636 -4.5636 -4.3111 -4.3111 -3.8660 -3.8660 -3.4093 -3.4093 -2.9762 -2.9762 -2.8675 -2.8675 -2.4043 -2.4043 -2.2733 -2.2733 -2.2073 -2.2073 -2.0358 -2.0358 -2.0171 -2.0171 -1.7494 -1.7494 -1.6672 -1.6672 -1.3519 -1.3519 -0.8728 -0.8728 -0.7471 -0.7471 -0.3249 -0.3249 0.1198 0.1198 4.9384 4.9384 5.0065 5.0065 6.4191 6.4191 6.4450 6.4450 6.7242 6.7242 6.7415 6.7415 k = 0.5554 0.3208 0.2320 ( 9905 PWs) bands (ev): -16.6834 -16.6834 -16.5942 -16.5942 -15.7198 -15.7198 -14.8568 -14.8568 -13.4358 -13.4358 -12.7867 -12.7867 -11.9982 -11.9982 -9.7546 -9.7546 -9.5403 -9.5403 -8.9304 -8.9304 -7.0078 -7.0078 -5.7860 -5.7860 -4.9462 -4.9462 -4.8025 -4.8025 -4.5589 -4.5589 -4.3081 -4.3081 -3.8849 -3.8849 -3.4068 -3.4068 -2.9757 -2.9757 -2.8666 -2.8666 -2.4016 -2.4016 -2.2735 -2.2735 -2.2084 -2.2084 -2.0382 -2.0382 -2.0077 -2.0077 -1.7591 -1.7591 -1.6761 -1.6761 -1.3484 -1.3484 -0.8838 -0.8838 -0.7594 -0.7594 -0.3357 -0.3357 0.1188 0.1188 4.9672 4.9672 5.0284 5.0284 6.3912 6.3912 6.4537 6.4537 6.7132 6.7132 6.7434 6.7434 k = 0.5461 0.3154 0.2501 ( 9911 PWs) bands (ev): -16.6830 -16.6830 -16.5943 -16.5943 -15.7210 -15.7210 -14.8546 -14.8546 -13.4378 -13.4378 -12.7865 -12.7865 -11.9989 -11.9989 -9.7540 -9.7540 -9.5415 -9.5415 -8.9313 -8.9313 -7.0116 -7.0116 -5.7754 -5.7754 -4.9453 -4.9453 -4.7864 -4.7864 -4.5547 -4.5547 -4.3056 -4.3056 -3.9015 -3.9015 -3.4047 -3.4047 -2.9752 -2.9752 -2.8656 -2.8656 -2.3993 -2.3993 -2.2737 -2.2737 -2.2094 -2.2094 -2.0405 -2.0405 -1.9993 -1.9993 -1.7695 -1.7695 -1.6820 -1.6820 -1.3453 -1.3453 -0.8933 -0.8933 -0.7701 -0.7701 -0.3452 -0.3452 0.1180 0.1180 4.9916 4.9916 5.0490 5.0490 6.3653 6.3653 6.4614 6.4614 6.7031 6.7031 6.7449 6.7449 k = 0.5369 0.3101 0.2682 ( 9908 PWs) bands (ev): -16.6827 -16.6827 -16.5943 -16.5943 -15.7219 -15.7219 -14.8527 -14.8527 -13.4394 -13.4394 -12.7863 -12.7863 -11.9996 -11.9996 -9.7536 -9.7536 -9.5426 -9.5426 -8.9320 -8.9320 -7.0148 -7.0148 -5.7664 -5.7664 -4.9446 -4.9446 -4.7729 -4.7729 -4.5512 -4.5512 -4.3035 -4.3035 -3.9154 -3.9154 -3.4029 -3.4029 -2.9748 -2.9748 -2.8648 -2.8648 -2.3974 -2.3974 -2.2738 -2.2738 -2.2104 -2.2104 -2.0423 -2.0423 -1.9920 -1.9920 -1.7794 -1.7794 -1.6857 -1.6857 -1.3427 -1.3427 -0.9014 -0.9014 -0.7791 -0.7791 -0.3532 -0.3532 0.1171 0.1171 5.0114 5.0114 5.0678 5.0678 6.3425 6.3425 6.4677 6.4677 6.6941 6.6941 6.7460 6.7460 k = 0.5277 0.3048 0.2862 ( 9908 PWs) bands (ev): -16.6824 -16.6824 -16.5944 -16.5944 -15.7227 -15.7227 -14.8512 -14.8512 -13.4408 -13.4408 -12.7862 -12.7862 -12.0001 -12.0001 -9.7533 -9.7533 -9.5434 -9.5434 -8.9326 -8.9326 -7.0173 -7.0173 -5.7590 -5.7590 -4.9441 -4.9441 -4.7622 -4.7622 -4.5484 -4.5484 -4.3019 -4.3019 -3.9265 -3.9265 -3.4015 -3.4015 -2.9746 -2.9746 -2.8640 -2.8640 -2.3960 -2.3960 -2.2739 -2.2739 -2.2112 -2.2112 -2.0438 -2.0438 -1.9861 -1.9861 -1.7880 -1.7880 -1.6879 -1.6879 -1.3407 -1.3407 -0.9077 -0.9077 -0.7863 -0.7863 -0.3595 -0.3595 0.1164 0.1164 5.0264 5.0264 5.0840 5.0840 6.3236 6.3236 6.4728 6.4728 6.6866 6.6866 6.7469 6.7469 k = 0.5185 0.2995 0.3043 ( 9907 PWs) bands (ev): -16.6823 -16.6823 -16.5944 -16.5944 -15.7232 -15.7232 -14.8501 -14.8501 -13.4417 -13.4417 -12.7861 -12.7861 -12.0005 -12.0005 -9.7530 -9.7530 -9.5441 -9.5441 -8.9331 -8.9331 -7.0191 -7.0191 -5.7535 -5.7535 -4.9437 -4.9437 -4.7545 -4.7545 -4.5464 -4.5464 -4.3008 -4.3008 -3.9346 -3.9346 -3.4004 -3.4004 -2.9743 -2.9743 -2.8634 -2.8634 -2.3950 -2.3950 -2.2740 -2.2740 -2.2118 -2.2118 -2.0449 -2.0449 -1.9817 -1.9817 -1.7945 -1.7945 -1.6893 -1.6893 -1.3393 -1.3393 -0.9123 -0.9123 -0.7915 -0.7915 -0.3641 -0.3641 0.1159 0.1159 5.0369 5.0369 5.0965 5.0965 6.3095 6.3095 6.4764 6.4764 6.6809 6.6809 6.7475 6.7475 k = 0.5092 0.2941 0.3224 ( 9906 PWs) bands (ev): -16.6822 -16.6822 -16.5944 -16.5944 -15.7236 -15.7236 -14.8494 -14.8494 -13.4423 -13.4423 -12.7860 -12.7860 -12.0008 -12.0008 -9.7529 -9.7529 -9.5444 -9.5444 -8.9333 -8.9333 -7.0201 -7.0201 -5.7502 -5.7502 -4.9435 -4.9435 -4.7498 -4.7498 -4.5452 -4.5452 -4.3001 -4.3001 -3.9395 -3.9395 -3.3998 -3.3998 -2.9742 -2.9742 -2.8631 -2.8631 -2.3944 -2.3944 -2.2741 -2.2741 -2.2122 -2.2122 -2.0455 -2.0455 -1.9790 -1.9790 -1.7985 -1.7985 -1.6900 -1.6900 -1.3384 -1.3384 -0.9151 -0.9151 -0.7947 -0.7947 -0.3668 -0.3668 0.1156 0.1156 5.0432 5.0432 5.1043 5.1043 6.3008 6.3008 6.4785 6.4785 6.6775 6.6775 6.7478 6.7478 k = 0.5000 0.2888 0.3405 ( 9908 PWs) bands (ev): -16.6821 -16.6821 -16.5944 -16.5944 -15.7237 -15.7237 -14.8492 -14.8492 -13.4425 -13.4425 -12.7860 -12.7860 -12.0008 -12.0008 -9.7529 -9.7529 -9.5445 -9.5445 -8.9334 -8.9334 -7.0205 -7.0205 -5.7490 -5.7490 -4.9434 -4.9434 -4.7483 -4.7483 -4.5448 -4.5448 -4.2998 -4.2998 -3.9411 -3.9411 -3.3996 -3.3996 -2.9742 -2.9742 -2.8630 -2.8630 -2.3942 -2.3942 -2.2741 -2.2741 -2.2123 -2.2123 -2.0457 -2.0457 -1.9781 -1.9781 -1.7999 -1.7999 -1.6903 -1.6903 -1.3381 -1.3381 -0.9160 -0.9160 -0.7958 -0.7958 -0.3678 -0.3678 0.1155 0.1155 5.0452 5.0452 5.1070 5.1070 6.2978 6.2978 6.4793 6.4793 6.6763 6.6763 6.7479 6.7479 k = 0.5000 0.2888 0.3405 ( 9908 PWs) bands (ev): -16.6821 -16.6821 -16.5944 -16.5944 -15.7237 -15.7237 -14.8492 -14.8492 -13.4425 -13.4425 -12.7860 -12.7860 -12.0008 -12.0008 -9.7529 -9.7529 -9.5445 -9.5445 -8.9334 -8.9334 -7.0205 -7.0205 -5.7490 -5.7490 -4.9434 -4.9434 -4.7483 -4.7483 -4.5448 -4.5448 -4.2998 -4.2998 -3.9411 -3.9411 -3.3996 -3.3996 -2.9742 -2.9742 -2.8630 -2.8630 -2.3942 -2.3942 -2.2741 -2.2741 -2.2123 -2.2123 -2.0457 -2.0457 -1.9781 -1.9781 -1.7999 -1.7999 -1.6903 -1.6903 -1.3381 -1.3381 -0.9160 -0.9160 -0.7958 -0.7958 -0.3678 -0.3678 0.1155 0.1155 5.0452 5.0452 5.1070 5.1070 6.2978 6.2978 6.4793 6.4793 6.6763 6.6763 6.7479 6.7479 k = 0.5105 0.2706 0.3405 ( 9898 PWs) bands (ev): -16.6822 -16.6822 -16.5943 -16.5943 -15.7236 -15.7236 -14.8492 -14.8492 -13.4424 -13.4424 -12.7862 -12.7862 -12.0008 -12.0008 -9.7527 -9.7527 -9.5447 -9.5447 -8.9334 -8.9334 -7.0199 -7.0199 -5.7491 -5.7491 -4.9440 -4.9440 -4.7479 -4.7479 -4.5451 -4.5451 -4.2995 -4.2995 -3.9403 -3.9403 -3.4006 -3.4006 -2.9745 -2.9745 -2.8631 -2.8631 -2.3937 -2.3937 -2.2748 -2.2748 -2.2125 -2.2125 -2.0460 -2.0460 -1.9783 -1.9783 -1.7993 -1.7993 -1.6899 -1.6899 -1.3388 -1.3388 -0.9174 -0.9174 -0.7937 -0.7937 -0.3674 -0.3674 0.1151 0.1151 5.0451 5.0451 5.1070 5.1070 6.2986 6.2986 6.4788 6.4788 6.6763 6.6763 6.7468 6.7468 k = 0.5210 0.2525 0.3405 ( 9908 PWs) bands (ev): -16.6824 -16.6824 -16.5942 -16.5942 -15.7234 -15.7234 -14.8495 -14.8495 -13.4423 -13.4423 -12.7867 -12.7867 -12.0007 -12.0007 -9.7523 -9.7523 -9.5451 -9.5451 -8.9333 -8.9333 -7.0180 -7.0180 -5.7494 -5.7494 -4.9457 -4.9457 -4.7470 -4.7470 -4.5462 -4.5462 -4.2987 -4.2987 -3.9378 -3.9378 -3.4035 -3.4035 -2.9754 -2.9754 -2.8635 -2.8635 -2.3923 -2.3923 -2.2769 -2.2769 -2.2131 -2.2131 -2.0468 -2.0468 -1.9789 -1.9789 -1.7974 -1.7974 -1.6889 -1.6889 -1.3409 -1.3409 -0.9211 -0.9211 -0.7878 -0.7878 -0.3662 -0.3662 0.1140 0.1140 5.0447 5.0447 5.1070 5.1070 6.3008 6.3008 6.4774 6.4774 6.6763 6.6763 6.7436 6.7436 k = 0.5315 0.2343 0.3405 ( 9902 PWs) bands (ev): -16.6826 -16.6826 -16.5939 -16.5939 -15.7230 -15.7230 -14.8499 -14.8499 -13.4420 -13.4420 -12.7875 -12.7875 -12.0005 -12.0005 -9.7516 -9.7516 -9.5458 -9.5458 -8.9331 -8.9331 -7.0150 -7.0150 -5.7498 -5.7498 -4.9485 -4.9485 -4.7454 -4.7454 -4.5480 -4.5480 -4.2974 -4.2974 -3.9337 -3.9337 -3.4083 -3.4083 -2.9770 -2.9770 -2.8641 -2.8641 -2.3900 -2.3900 -2.2803 -2.2803 -2.2140 -2.2140 -2.0481 -2.0481 -1.9800 -1.9800 -1.7944 -1.7944 -1.6873 -1.6873 -1.3444 -1.3444 -0.9265 -0.9265 -0.7788 -0.7788 -0.3643 -0.3643 0.1121 0.1121 5.0440 5.0440 5.1070 5.1070 6.3045 6.3045 6.4751 6.4751 6.6760 6.6760 6.7383 6.7383 k = 0.5420 0.2161 0.3405 ( 9886 PWs) bands (ev): -16.6830 -16.6830 -16.5935 -16.5935 -15.7226 -15.7226 -14.8504 -14.8504 -13.4416 -13.4416 -12.7887 -12.7887 -12.0002 -12.0002 -9.7506 -9.7506 -9.5468 -9.5468 -8.9328 -8.9328 -7.0107 -7.0107 -5.7503 -5.7503 -4.9524 -4.9524 -4.7433 -4.7433 -4.5505 -4.5505 -4.2956 -4.2956 -3.9279 -3.9279 -3.4150 -3.4150 -2.9793 -2.9793 -2.8646 -2.8646 -2.3870 -2.3870 -2.2851 -2.2851 -2.2153 -2.2153 -2.0497 -2.0497 -1.9814 -1.9814 -1.7903 -1.7903 -1.6849 -1.6849 -1.3493 -1.3493 -0.9327 -0.9327 -0.7675 -0.7675 -0.3616 -0.3616 0.1095 0.1095 5.0430 5.0430 5.1069 5.1069 6.3095 6.3095 6.4719 6.4719 6.6753 6.6753 6.7314 6.7314 k = 0.5525 0.1979 0.3405 ( 9886 PWs) bands (ev): -16.6835 -16.6835 -16.5930 -16.5930 -15.7219 -15.7219 -14.8511 -14.8511 -13.4411 -13.4411 -12.7901 -12.7901 -11.9998 -11.9998 -9.7495 -9.7495 -9.5480 -9.5480 -8.9325 -8.9325 -7.0053 -7.0053 -5.7511 -5.7511 -4.9572 -4.9572 -4.7406 -4.7406 -4.5537 -4.5537 -4.2933 -4.2933 -3.9206 -3.9206 -3.4234 -3.4234 -2.9823 -2.9823 -2.8650 -2.8650 -2.3833 -2.3833 -2.2911 -2.2911 -2.2168 -2.2168 -2.0515 -2.0515 -1.9833 -1.9833 -1.7854 -1.7854 -1.6820 -1.6820 -1.3555 -1.3555 -0.9392 -0.9392 -0.7545 -0.7545 -0.3582 -0.3582 0.1062 0.1062 5.0418 5.0418 5.1067 5.1067 6.3159 6.3159 6.4681 6.4681 6.6734 6.6734 6.7235 6.7235 k = 0.5630 0.1798 0.3405 ( 9884 PWs) bands (ev): -16.6841 -16.6841 -16.5925 -16.5925 -15.7212 -15.7212 -14.8520 -14.8520 -13.4406 -13.4406 -12.7918 -12.7918 -11.9994 -11.9994 -9.7481 -9.7481 -9.5494 -9.5494 -8.9322 -8.9322 -6.9988 -6.9988 -5.7521 -5.7521 -4.9630 -4.9630 -4.7376 -4.7376 -4.5575 -4.5575 -4.2907 -4.2907 -3.9117 -3.9117 -3.4334 -3.4334 -2.9860 -2.9860 -2.8649 -2.8649 -2.3793 -2.3793 -2.2985 -2.2985 -2.2187 -2.2187 -2.0532 -2.0532 -1.9856 -1.9856 -1.7798 -1.7798 -1.6783 -1.6783 -1.3630 -1.3630 -0.9455 -0.9455 -0.7403 -0.7403 -0.3541 -0.3541 0.1024 0.1024 5.0402 5.0402 5.1063 5.1063 6.3236 6.3236 6.4636 6.4636 6.6692 6.6692 6.7157 6.7157 k = 0.5735 0.1616 0.3405 ( 9878 PWs) bands (ev): -16.6848 -16.6848 -16.5918 -16.5918 -15.7203 -15.7203 -14.8530 -14.8530 -13.4399 -13.4399 -12.7937 -12.7937 -11.9989 -11.9989 -9.7465 -9.7465 -9.5510 -9.5510 -8.9318 -8.9318 -6.9913 -6.9913 -5.7532 -5.7532 -4.9695 -4.9695 -4.7344 -4.7344 -4.5620 -4.5620 -4.2877 -4.2877 -3.9013 -3.9013 -3.4450 -3.4450 -2.9904 -2.9904 -2.8643 -2.8643 -2.3750 -2.3750 -2.3069 -2.3069 -2.2207 -2.2207 -2.0548 -2.0548 -1.9884 -1.9884 -1.7738 -1.7738 -1.6741 -1.6741 -1.3717 -1.3717 -0.9512 -0.9512 -0.7253 -0.7253 -0.3494 -0.3494 0.0979 0.0979 5.0383 5.0383 5.1057 5.1057 6.3323 6.3323 6.4587 6.4587 6.6614 6.6614 6.7095 6.7095 k = 0.5840 0.1434 0.3405 ( 9886 PWs) bands (ev): -16.6856 -16.6856 -16.5910 -16.5910 -15.7193 -15.7193 -14.8542 -14.8542 -13.4392 -13.4392 -12.7958 -12.7958 -11.9984 -11.9984 -9.7448 -9.7448 -9.5527 -9.5527 -8.9314 -8.9314 -6.9828 -6.9828 -5.7546 -5.7546 -4.9767 -4.9767 -4.7310 -4.7310 -4.5671 -4.5671 -4.2845 -4.2845 -3.8894 -3.8894 -3.4578 -3.4578 -2.9954 -2.9954 -2.8630 -2.8630 -2.3707 -2.3707 -2.3165 -2.3165 -2.2229 -2.2229 -2.0560 -2.0560 -1.9915 -1.9915 -1.7675 -1.7675 -1.6692 -1.6692 -1.3815 -1.3815 -0.9561 -0.9561 -0.7097 -0.7097 -0.3442 -0.3442 0.0930 0.0930 5.0361 5.0361 5.1049 5.1049 6.3419 6.3419 6.4534 6.4534 6.6491 6.6491 6.7056 6.7056 k = 0.5945 0.1253 0.3405 ( 9886 PWs) bands (ev): -16.6865 -16.6865 -16.5901 -16.5901 -15.7182 -15.7182 -14.8555 -14.8555 -13.4383 -13.4383 -12.7981 -12.7981 -11.9977 -11.9977 -9.7429 -9.7429 -9.5546 -9.5546 -8.9310 -8.9310 -6.9735 -6.9735 -5.7563 -5.7563 -4.9845 -4.9845 -4.7275 -4.7275 -4.5727 -4.5727 -4.2811 -4.2811 -3.8761 -3.8761 -3.4717 -3.4717 -3.0009 -3.0009 -2.8610 -2.8610 -2.3666 -2.3666 -2.3270 -2.3270 -2.2251 -2.2251 -2.0568 -2.0568 -1.9950 -1.9950 -1.7610 -1.7610 -1.6638 -1.6638 -1.3923 -1.3923 -0.9602 -0.9602 -0.6937 -0.6937 -0.3384 -0.3384 0.0877 0.0877 5.0335 5.0335 5.1037 5.1037 6.3521 6.3521 6.4482 6.4482 6.6330 6.6330 6.7035 6.7035 k = 0.6050 0.1071 0.3405 ( 9892 PWs) bands (ev): -16.6876 -16.6876 -16.5892 -16.5892 -15.7170 -15.7170 -14.8569 -14.8569 -13.4374 -13.4374 -12.8005 -12.8005 -11.9970 -11.9970 -9.7410 -9.7410 -9.5565 -9.5565 -8.9306 -8.9306 -6.9634 -6.9634 -5.7582 -5.7582 -4.9928 -4.9928 -4.7243 -4.7243 -4.5789 -4.5789 -4.2774 -4.2774 -3.8615 -3.8615 -3.4865 -3.4865 -3.0067 -3.0067 -2.8584 -2.8584 -2.3632 -2.3632 -2.3380 -2.3380 -2.2272 -2.2272 -2.0570 -2.0570 -1.9990 -1.9990 -1.7545 -1.7545 -1.6578 -1.6578 -1.4042 -1.4042 -0.9633 -0.9633 -0.6774 -0.6774 -0.3323 -0.3323 0.0820 0.0820 5.0305 5.0305 5.1020 5.1020 6.3627 6.3627 6.4432 6.4432 6.6139 6.6139 6.7024 6.7024 k = 0.6155 0.0889 0.3405 ( 9894 PWs) bands (ev): -16.6887 -16.6887 -16.5881 -16.5881 -15.7157 -15.7157 -14.8585 -14.8585 -13.4365 -13.4365 -12.8029 -12.8029 -11.9962 -11.9962 -9.7391 -9.7391 -9.5585 -9.5585 -8.9303 -8.9303 -6.9526 -6.9526 -5.7604 -5.7604 -5.0014 -5.0014 -4.7213 -4.7213 -4.5855 -4.5855 -4.2737 -4.2737 -3.8457 -3.8457 -3.5019 -3.5019 -3.0127 -3.0127 -2.8551 -2.8551 -2.3619 -2.3619 -2.3479 -2.3479 -2.2293 -2.2293 -2.0566 -2.0566 -2.0033 -2.0033 -1.7480 -1.7480 -1.6514 -1.6514 -1.4168 -1.4168 -0.9654 -0.9654 -0.6611 -0.6611 -0.3257 -0.3257 0.0762 0.0762 5.0270 5.0270 5.0999 5.0999 6.3729 6.3729 6.4392 6.4392 6.5924 6.5924 6.7017 6.7017 k = 0.6260 0.0707 0.3405 ( 9888 PWs) bands (ev): -16.6899 -16.6899 -16.5870 -16.5870 -15.7143 -15.7143 -14.8601 -14.8601 -13.4354 -13.4354 -12.8054 -12.8054 -11.9954 -11.9954 -9.7372 -9.7372 -9.5605 -9.5605 -8.9300 -8.9300 -6.9413 -6.9413 -5.7630 -5.7630 -5.0103 -5.0103 -4.7188 -4.7188 -4.5924 -4.5924 -4.2700 -4.2700 -3.8287 -3.8287 -3.5176 -3.5176 -3.0187 -3.0187 -2.8513 -2.8513 -2.3683 -2.3683 -2.3514 -2.3514 -2.2312 -2.2312 -2.0554 -2.0554 -2.0080 -2.0080 -1.7416 -1.7416 -1.6445 -1.6445 -1.4302 -1.4302 -0.9666 -0.9666 -0.6446 -0.6446 -0.3189 -0.3189 0.0702 0.0702 5.0232 5.0232 5.0972 5.0972 6.3817 6.3817 6.4370 6.4370 6.5690 6.5690 6.7009 6.7009 k = 0.6365 0.0526 0.3405 ( 9886 PWs) bands (ev): -16.6911 -16.6911 -16.5858 -16.5858 -15.7128 -15.7128 -14.8619 -14.8619 -13.4344 -13.4344 -12.8078 -12.8078 -11.9946 -11.9946 -9.7354 -9.7354 -9.5624 -9.5624 -8.9298 -8.9298 -6.9296 -6.9296 -5.7659 -5.7659 -5.0193 -5.0193 -4.7170 -4.7170 -4.5996 -4.5996 -4.2662 -4.2662 -3.8106 -3.8106 -3.5334 -3.5334 -3.0245 -3.0245 -2.8469 -2.8469 -2.3803 -2.3803 -2.3502 -2.3502 -2.2328 -2.2328 -2.0536 -2.0536 -2.0131 -2.0131 -1.7353 -1.7353 -1.6375 -1.6375 -1.4442 -1.4442 -0.9668 -0.9668 -0.6283 -0.6283 -0.3118 -0.3118 0.0642 0.0642 5.0189 5.0189 5.0938 5.0938 6.3877 6.3877 6.4382 6.4382 6.5440 6.5440 6.6998 6.6998 k = 0.6469 0.0344 0.3405 ( 9884 PWs) bands (ev): -16.6925 -16.6925 -16.5846 -16.5846 -15.7113 -15.7113 -14.8638 -14.8638 -13.4333 -13.4333 -12.8102 -12.8102 -11.9936 -11.9936 -9.7337 -9.7337 -9.5642 -9.5642 -8.9296 -8.9296 -6.9176 -6.9176 -5.7693 -5.7693 -5.0285 -5.0285 -4.7159 -4.7159 -4.6069 -4.6069 -4.2624 -4.2624 -3.7917 -3.7917 -3.5490 -3.5490 -3.0302 -3.0302 -2.8421 -2.8421 -2.3934 -2.3934 -2.3487 -2.3487 -2.2341 -2.2341 -2.0512 -2.0512 -2.0183 -2.0183 -1.7291 -1.7291 -1.6302 -1.6302 -1.4587 -1.4587 -0.9662 -0.9662 -0.6121 -0.6121 -0.3046 -0.3046 0.0584 0.0584 5.0142 5.0142 5.0898 5.0898 6.3897 6.3897 6.4437 6.4437 6.5177 6.5177 6.6981 6.6981 k = 0.6574 0.0162 0.3405 ( 9890 PWs) bands (ev): -16.6940 -16.6940 -16.5832 -16.5832 -15.7097 -15.7097 -14.8658 -14.8658 -13.4322 -13.4322 -12.8125 -12.8125 -11.9927 -11.9927 -9.7321 -9.7321 -9.5659 -9.5659 -8.9296 -8.9296 -6.9054 -6.9054 -5.7731 -5.7731 -5.0376 -5.0376 -4.7157 -4.7157 -4.6143 -4.6143 -4.2587 -4.2587 -3.7719 -3.7719 -3.5641 -3.5641 -3.0356 -3.0356 -2.8370 -2.8370 -2.4068 -2.4068 -2.3476 -2.3476 -2.2350 -2.2350 -2.0486 -2.0486 -2.0234 -2.0234 -1.7231 -1.7231 -1.6228 -1.6228 -1.4736 -1.4736 -0.9647 -0.9647 -0.5961 -0.5961 -0.2973 -0.2973 0.0529 0.0529 5.0091 5.0091 5.0850 5.0850 6.3884 6.3884 6.4526 6.4526 6.4903 6.4903 6.6958 6.6958 k = 0.6679-0.0020 0.3405 ( 9888 PWs) bands (ev): -16.6955 -16.6955 -16.5819 -16.5819 -15.7080 -15.7080 -14.8679 -14.8679 -13.4310 -13.4310 -12.8146 -12.8146 -11.9917 -11.9917 -9.7306 -9.7306 -9.5675 -9.5675 -8.9296 -8.9296 -6.8933 -6.8933 -5.7773 -5.7773 -5.0466 -5.0466 -4.7166 -4.7166 -4.6217 -4.6217 -4.2551 -4.2551 -3.7516 -3.7516 -3.5784 -3.5784 -3.0406 -3.0406 -2.8315 -2.8315 -2.4200 -2.4200 -2.3471 -2.3471 -2.2356 -2.2356 -2.0466 -2.0466 -2.0277 -2.0277 -1.7171 -1.7171 -1.6154 -1.6154 -1.4887 -1.4887 -0.9626 -0.9626 -0.5804 -0.5804 -0.2899 -0.2899 0.0478 0.0478 5.0034 5.0034 5.0793 5.0793 6.3853 6.3853 6.4596 6.4596 6.4660 6.4660 6.6928 6.6928 k = 0.6784-0.0201 0.3405 ( 9880 PWs) bands (ev): -16.6970 -16.6970 -16.5804 -16.5804 -15.7063 -15.7063 -14.8701 -14.8701 -13.4299 -13.4299 -12.8166 -12.8166 -11.9907 -11.9907 -9.7294 -9.7294 -9.5688 -9.5688 -8.9297 -8.9297 -6.8813 -6.8813 -5.7821 -5.7821 -5.0555 -5.0555 -4.7187 -4.7187 -4.6288 -4.6288 -4.2516 -4.2516 -3.7307 -3.7307 -3.5918 -3.5918 -3.0451 -3.0451 -2.8257 -2.8257 -2.4326 -2.4326 -2.3473 -2.3473 -2.2358 -2.2358 -2.0472 -2.0472 -2.0291 -2.0291 -1.7113 -1.7113 -1.6081 -1.6081 -1.5039 -1.5039 -0.9597 -0.9597 -0.5652 -0.5652 -0.2825 -0.2825 0.0432 0.0432 4.9974 4.9974 5.0729 5.0729 6.3814 6.3814 6.4323 6.4323 6.4762 6.4762 6.6888 6.6888 k = 0.6889-0.0383 0.3405 ( 9880 PWs) bands (ev): -16.6987 -16.6987 -16.5789 -16.5789 -15.7046 -15.7046 -14.8724 -14.8724 -13.4287 -13.4287 -12.8183 -12.8183 -11.9896 -11.9896 -9.7285 -9.7285 -9.5700 -9.5700 -8.9300 -8.9300 -6.8696 -6.8696 -5.7873 -5.7873 -5.0642 -5.0642 -4.7221 -4.7221 -4.6356 -4.6356 -4.2483 -4.2483 -3.7095 -3.7095 -3.6040 -3.6040 -3.0492 -3.0492 -2.8198 -2.8198 -2.4445 -2.4445 -2.3482 -2.3482 -2.2355 -2.2355 -2.0515 -2.0515 -2.0267 -2.0267 -1.7056 -1.7056 -1.6012 -1.6012 -1.5188 -1.5188 -0.9564 -0.9564 -0.5505 -0.5505 -0.2751 -0.2751 0.0393 0.0393 4.9909 4.9909 5.0654 5.0654 6.3773 6.3773 6.4026 6.4026 6.4885 6.4885 6.6840 6.6840 k = 0.6994-0.0565 0.3405 ( 9886 PWs) bands (ev): -16.7004 -16.7004 -16.5774 -16.5774 -15.7028 -15.7028 -14.8747 -14.8747 -13.4275 -13.4275 -12.8197 -12.8197 -11.9886 -11.9886 -9.7277 -9.7277 -9.5708 -9.5708 -8.9304 -8.9304 -6.8583 -6.8583 -5.7931 -5.7931 -5.0726 -5.0726 -4.7268 -4.7268 -4.6420 -4.6420 -4.2451 -4.2451 -3.6883 -3.6883 -3.6146 -3.6146 -3.0528 -3.0528 -2.8137 -2.8137 -2.4553 -2.4553 -2.3498 -2.3498 -2.2348 -2.2348 -2.0578 -2.0578 -2.0222 -2.0222 -1.7001 -1.7001 -1.5949 -1.5949 -1.5331 -1.5331 -0.9526 -0.9526 -0.5364 -0.5364 -0.2677 -0.2677 0.0362 0.0362 4.9839 4.9839 5.0571 5.0571 6.3714 6.3714 6.3742 6.3742 6.5007 6.5007 6.6783 6.6783 k = 0.7099-0.0746 0.3405 ( 9888 PWs) bands (ev): -16.7021 -16.7021 -16.5759 -16.5759 -15.7011 -15.7011 -14.8771 -14.8771 -13.4263 -13.4263 -12.8209 -12.8209 -11.9875 -11.9875 -9.7273 -9.7273 -9.5714 -9.5714 -8.9309 -8.9309 -6.8476 -6.8476 -5.7994 -5.7994 -5.0808 -5.0808 -4.7329 -4.7329 -4.6479 -4.6479 -4.2421 -4.2421 -3.6676 -3.6676 -3.6231 -3.6231 -3.0558 -3.0558 -2.8075 -2.8075 -2.4649 -2.4649 -2.3521 -2.3521 -2.2337 -2.2337 -2.0652 -2.0652 -2.0168 -2.0168 -1.6947 -1.6947 -1.5901 -1.5901 -1.5458 -1.5458 -0.9483 -0.9483 -0.5231 -0.5231 -0.2604 -0.2604 0.0340 0.0340 4.9765 4.9765 5.0478 5.0478 6.3415 6.3415 6.3698 6.3698 6.5126 6.5126 6.6716 6.6716 k = 0.7204-0.0928 0.3405 ( 9882 PWs) bands (ev): -16.7039 -16.7039 -16.5743 -16.5743 -15.6993 -15.6993 -14.8795 -14.8795 -13.4252 -13.4252 -12.8218 -12.8218 -11.9864 -11.9864 -9.7272 -9.7272 -9.5717 -9.5717 -8.9316 -8.9316 -6.8376 -6.8376 -5.8062 -5.8062 -5.0885 -5.0885 -4.7405 -4.7405 -4.6532 -4.6532 -4.2394 -4.2394 -3.6496 -3.6496 -3.6274 -3.6274 -3.0582 -3.0582 -2.8013 -2.8013 -2.4730 -2.4730 -2.3551 -2.3551 -2.2321 -2.2321 -2.0730 -2.0730 -2.0109 -2.0109 -1.6895 -1.6895 -1.5888 -1.5888 -1.5547 -1.5547 -0.9438 -0.9438 -0.5107 -0.5107 -0.2529 -0.2529 0.0328 0.0328 4.9688 4.9688 5.0376 5.0376 6.3108 6.3108 6.3666 6.3666 6.5241 6.5241 6.6640 6.6640 k = 0.2796-0.4840 0.5754 ( 9882 PWs) bands (ev): -16.7039 -16.7039 -16.5743 -16.5743 -15.6993 -15.6993 -14.8795 -14.8795 -13.4252 -13.4252 -12.8218 -12.8218 -11.9864 -11.9864 -9.7272 -9.7272 -9.5717 -9.5717 -8.9316 -8.9316 -6.8376 -6.8376 -5.8062 -5.8062 -5.0885 -5.0885 -4.7405 -4.7405 -4.6532 -4.6532 -4.2394 -4.2394 -3.6496 -3.6496 -3.6274 -3.6274 -3.0582 -3.0582 -2.8013 -2.8013 -2.4730 -2.4730 -2.3551 -2.3551 -2.2321 -2.2321 -2.0730 -2.0730 -2.0109 -2.0109 -1.6895 -1.6895 -1.5888 -1.5888 -1.5547 -1.5547 -0.9438 -0.9438 -0.5107 -0.5107 -0.2529 -0.2529 0.0328 0.0328 4.9688 4.9688 5.0376 5.0376 6.3108 6.3108 6.3666 6.3666 6.5241 6.5241 6.6640 6.6640 k = 0.2688-0.4654 0.5754 ( 9888 PWs) bands (ev): -16.7058 -16.7058 -16.5727 -16.5727 -15.6975 -15.6975 -14.8820 -14.8820 -13.4240 -13.4240 -12.8224 -12.8224 -11.9853 -11.9853 -9.7274 -9.7274 -9.5717 -9.5717 -8.9324 -8.9324 -6.8282 -6.8282 -5.8137 -5.8137 -5.0961 -5.0961 -4.7498 -4.7498 -4.6578 -4.6578 -4.2368 -4.2368 -3.6440 -3.6440 -3.6176 -3.6176 -3.0601 -3.0601 -2.7948 -2.7948 -2.4796 -2.4796 -2.3588 -2.3588 -2.2300 -2.2300 -2.0815 -2.0815 -2.0048 -2.0048 -1.6847 -1.6847 -1.5936 -1.5936 -1.5572 -1.5572 -0.9390 -0.9390 -0.4990 -0.4990 -0.2453 -0.2453 0.0326 0.0326 4.9604 4.9604 5.0261 5.0261 6.2791 6.2791 6.3638 6.3638 6.5352 6.5352 6.6553 6.6553 k = 0.2581-0.4468 0.5754 ( 9880 PWs) bands (ev): -16.7077 -16.7077 -16.5710 -16.5710 -15.6958 -15.6958 -14.8845 -14.8845 -13.4228 -13.4228 -12.8226 -12.8226 -11.9842 -11.9842 -9.7279 -9.7279 -9.5714 -9.5714 -8.9333 -8.9333 -6.8198 -6.8198 -5.8217 -5.8217 -5.1032 -5.1032 -4.7606 -4.7606 -4.6616 -4.6616 -4.2344 -4.2344 -3.6461 -3.6461 -3.5986 -3.5986 -3.0612 -3.0612 -2.7884 -2.7884 -2.4844 -2.4844 -2.3633 -2.3633 -2.2275 -2.2275 -2.0903 -2.0903 -1.9986 -1.9986 -1.6807 -1.6807 -1.6026 -1.6026 -1.5543 -1.5543 -0.9340 -0.9340 -0.4884 -0.4884 -0.2375 -0.2375 0.0335 0.0335 4.9517 4.9517 5.0136 5.0136 6.2476 6.2476 6.3616 6.3616 6.5457 6.5457 6.6457 6.6457 k = 0.2473-0.4282 0.5754 ( 9874 PWs) bands (ev): -16.7096 -16.7096 -16.5694 -16.5694 -15.6940 -15.6940 -14.8870 -14.8870 -13.4217 -13.4217 -12.8226 -12.8226 -11.9831 -11.9831 -9.7288 -9.7288 -9.5707 -9.5707 -8.9344 -8.9344 -6.8124 -6.8124 -5.8301 -5.8301 -5.1099 -5.1099 -4.7728 -4.7728 -4.6645 -4.6645 -4.2323 -4.2323 -3.6478 -3.6478 -3.5786 -3.5786 -3.0617 -3.0617 -2.7821 -2.7821 -2.4873 -2.4873 -2.3684 -2.3684 -2.2246 -2.2246 -2.0992 -2.0992 -1.9926 -1.9926 -1.6781 -1.6781 -1.6119 -1.6119 -1.5495 -1.5495 -0.9289 -0.9289 -0.4790 -0.4790 -0.2295 -0.2295 0.0355 0.0355 4.9427 4.9427 5.0001 5.0001 6.2163 6.2163 6.3601 6.3601 6.5552 6.5552 6.6353 6.6353 k = 0.2366-0.4096 0.5754 ( 9874 PWs) bands (ev): -16.7115 -16.7115 -16.5678 -16.5678 -15.6924 -15.6924 -14.8896 -14.8896 -13.4205 -13.4205 -12.8221 -12.8221 -11.9820 -11.9820 -9.7300 -9.7300 -9.5696 -9.5696 -8.9355 -8.9355 -6.8061 -6.8061 -5.8388 -5.8388 -5.1162 -5.1162 -4.7865 -4.7865 -4.6665 -4.6665 -4.2304 -4.2304 -3.6479 -3.6479 -3.5591 -3.5591 -3.0614 -3.0614 -2.7759 -2.7759 -2.4882 -2.4882 -2.3742 -2.3742 -2.2212 -2.2212 -2.1084 -2.1084 -1.9869 -1.9869 -1.6781 -1.6781 -1.6190 -1.6190 -1.5440 -1.5440 -0.9238 -0.9238 -0.4708 -0.4708 -0.2214 -0.2214 0.0386 0.0386 4.9334 4.9334 4.9857 4.9857 6.1853 6.1853 6.3593 6.3593 6.5639 6.5639 6.6243 6.6243 k = 0.2258-0.3910 0.5754 ( 9882 PWs) bands (ev): -16.7135 -16.7135 -16.5661 -16.5661 -15.6907 -15.6907 -14.8921 -14.8921 -13.4194 -13.4194 -12.8214 -12.8214 -11.9809 -11.9809 -9.7315 -9.7315 -9.5683 -9.5683 -8.9368 -8.9368 -6.8010 -6.8010 -5.8478 -5.8478 -5.1219 -5.1219 -4.8015 -4.8015 -4.6677 -4.6677 -4.2287 -4.2287 -3.6462 -3.6462 -3.5403 -3.5403 -3.0603 -3.0603 -2.7699 -2.7699 -2.4873 -2.4873 -2.3807 -2.3807 -2.2174 -2.2174 -2.1177 -2.1177 -1.9815 -1.9815 -1.6814 -1.6814 -1.6223 -1.6223 -1.5383 -1.5383 -0.9187 -0.9187 -0.4638 -0.4638 -0.2130 -0.2130 0.0428 0.0428 4.9238 4.9238 4.9705 4.9705 6.1547 6.1547 6.3592 6.3592 6.5716 6.5716 6.6127 6.6127 k = 0.2151-0.3723 0.5754 ( 9898 PWs) bands (ev): -16.7154 -16.7154 -16.5645 -16.5645 -15.6891 -15.6891 -14.8946 -14.8946 -13.4183 -13.4183 -12.8203 -12.8203 -11.9799 -11.9799 -9.7334 -9.7334 -9.5666 -9.5666 -8.9382 -8.9382 -6.7972 -6.7972 -5.8569 -5.8569 -5.1272 -5.1272 -4.8177 -4.8177 -4.6680 -4.6680 -4.2273 -4.2273 -3.6426 -3.6426 -3.5225 -3.5225 -3.0585 -3.0585 -2.7640 -2.7640 -2.4846 -2.4846 -2.3879 -2.3879 -2.2133 -2.2133 -2.1270 -2.1270 -1.9765 -1.9765 -1.6878 -1.6878 -1.6219 -1.6219 -1.5327 -1.5327 -0.9136 -0.9136 -0.4580 -0.4580 -0.2045 -0.2045 0.0480 0.0480 4.9141 4.9141 4.9545 4.9545 6.1248 6.1248 6.3599 6.3599 6.5782 6.5782 6.6006 6.6006 k = 0.2043-0.3537 0.5754 ( 9894 PWs) bands (ev): -16.7173 -16.7173 -16.5629 -16.5629 -15.6876 -15.6876 -14.8971 -14.8971 -13.4173 -13.4173 -12.8190 -12.8190 -11.9788 -11.9788 -9.7355 -9.7355 -9.5646 -9.5646 -8.9397 -8.9397 -6.7945 -6.7945 -5.8661 -5.8661 -5.1320 -5.1320 -4.8349 -4.8349 -4.6676 -4.6676 -4.2260 -4.2260 -3.6373 -3.6373 -3.5056 -3.5056 -3.0557 -3.0557 -2.7584 -2.7584 -2.4803 -2.4803 -2.3958 -2.3958 -2.2088 -2.2088 -2.1363 -2.1363 -1.9720 -1.9720 -1.6962 -1.6962 -1.6188 -1.6188 -1.5273 -1.5273 -0.9087 -0.9087 -0.4533 -0.4533 -0.1958 -0.1958 0.0541 0.0541 4.9041 4.9041 4.9378 4.9378 6.0955 6.0955 6.3614 6.3614 6.5832 6.5832 6.5886 6.5886 k = 0.1936-0.3351 0.5754 ( 9898 PWs) bands (ev): -16.7192 -16.7192 -16.5614 -16.5614 -15.6861 -15.6861 -14.8995 -14.8995 -13.4162 -13.4162 -12.8174 -12.8174 -11.9779 -11.9779 -9.7379 -9.7379 -9.5623 -9.5623 -8.9413 -8.9413 -6.7930 -6.7930 -5.8752 -5.8752 -5.1363 -5.1363 -4.8531 -4.8531 -4.6664 -4.6664 -4.2250 -4.2250 -3.6302 -3.6302 -3.4899 -3.4899 -3.0521 -3.0521 -2.7530 -2.7530 -2.4745 -2.4745 -2.4044 -2.4044 -2.2040 -2.2040 -2.1456 -2.1456 -1.9680 -1.9680 -1.7053 -1.7053 -1.6140 -1.6140 -1.5220 -1.5220 -0.9040 -0.9040 -0.4495 -0.4495 -0.1871 -0.1871 0.0610 0.0610 4.8941 4.8941 4.9205 4.9205 6.0670 6.0670 6.3636 6.3636 6.5751 6.5751 6.5883 6.5883 k = 0.1828-0.3165 0.5754 ( 9894 PWs) bands (ev): -16.7210 -16.7210 -16.5599 -16.5599 -15.6847 -15.6847 -14.9019 -14.9019 -13.4152 -13.4152 -12.8155 -12.8155 -11.9769 -11.9769 -9.7404 -9.7404 -9.5598 -9.5598 -8.9429 -8.9429 -6.7926 -6.7926 -5.8842 -5.8842 -5.1402 -5.1402 -4.8719 -4.8719 -4.6648 -4.6648 -4.2241 -4.2241 -3.6215 -3.6215 -3.4753 -3.4753 -3.0475 -3.0475 -2.7480 -2.7480 -2.4675 -2.4675 -2.4136 -2.4136 -2.1990 -2.1990 -2.1547 -2.1547 -1.9645 -1.9645 -1.7144 -1.7144 -1.6084 -1.6084 -1.5169 -1.5169 -0.8994 -0.8994 -0.4465 -0.4465 -0.1784 -0.1784 0.0686 0.0686 4.8839 4.8839 4.9028 4.9028 6.0394 6.0394 6.3666 6.3666 6.5625 6.5625 6.5911 6.5911 k = 0.1720-0.2979 0.5754 ( 9888 PWs) bands (ev): -16.7228 -16.7228 -16.5584 -16.5584 -15.6834 -15.6834 -14.9042 -14.9042 -13.4142 -13.4142 -12.8135 -12.8135 -11.9760 -11.9760 -9.7432 -9.7432 -9.5571 -9.5571 -8.9446 -8.9446 -6.7932 -6.7932 -5.8929 -5.8929 -5.1436 -5.1436 -4.8912 -4.8912 -4.6626 -4.6626 -4.2235 -4.2235 -3.6114 -3.6114 -3.4618 -3.4618 -3.0419 -3.0419 -2.7434 -2.7434 -2.4597 -2.4597 -2.4235 -2.4235 -2.1939 -2.1939 -2.1636 -2.1636 -1.9615 -1.9615 -1.7230 -1.7230 -1.6023 -1.6023 -1.5120 -1.5120 -0.8950 -0.8950 -0.4443 -0.4443 -0.1699 -0.1699 0.0767 0.0767 4.8736 4.8736 4.8850 4.8850 6.0129 6.0129 6.3703 6.3703 6.5498 6.5498 6.5927 6.5927 k = 0.1613-0.2793 0.5754 ( 9892 PWs) bands (ev): -16.7245 -16.7245 -16.5570 -16.5570 -15.6822 -15.6822 -14.9064 -14.9064 -13.4133 -13.4133 -12.8112 -12.8112 -11.9752 -11.9752 -9.7462 -9.7462 -9.5542 -9.5542 -8.9463 -8.9463 -6.7949 -6.7949 -5.9012 -5.9012 -5.1465 -5.1465 -4.9108 -4.9108 -4.6601 -4.6601 -4.2229 -4.2229 -3.6000 -3.6000 -3.4494 -3.4494 -3.0352 -3.0352 -2.7393 -2.7393 -2.4513 -2.4513 -2.4338 -2.4338 -2.1891 -2.1891 -2.1719 -2.1719 -1.9590 -1.9590 -1.7309 -1.7309 -1.5960 -1.5960 -1.5073 -1.5073 -0.8909 -0.8909 -0.4425 -0.4425 -0.1617 -0.1617 0.0853 0.0853 4.8622 4.8622 4.8682 4.8682 5.9874 5.9874 6.3748 6.3748 6.5372 6.5372 6.5929 6.5929 k = 0.1505-0.2606 0.5754 ( 9896 PWs) bands (ev): -16.7262 -16.7262 -16.5557 -16.5557 -15.6810 -15.6810 -14.9086 -14.9086 -13.4123 -13.4123 -12.8089 -12.8089 -11.9744 -11.9744 -9.7492 -9.7492 -9.5511 -9.5511 -8.9481 -8.9481 -6.7973 -6.7973 -5.9092 -5.9092 -5.1490 -5.1490 -4.9305 -4.9305 -4.6574 -4.6574 -4.2225 -4.2225 -3.5878 -3.5878 -3.4381 -3.4381 -3.0274 -3.0274 -2.7356 -2.7356 -2.4477 -2.4477 -2.4396 -2.4396 -2.1871 -2.1871 -2.1771 -2.1771 -1.9569 -1.9569 -1.7379 -1.7379 -1.5898 -1.5898 -1.5027 -1.5027 -0.8870 -0.8870 -0.4412 -0.4412 -0.1537 -0.1537 0.0942 0.0942 4.8464 4.8464 4.8558 4.8558 5.9631 5.9631 6.3800 6.3800 6.5249 6.5249 6.5916 6.5916 k = 0.1398-0.2420 0.5754 ( 9888 PWs) bands (ev): -16.7278 -16.7278 -16.5544 -16.5544 -15.6799 -15.6799 -14.9106 -14.9106 -13.4114 -13.4114 -12.8064 -12.8064 -11.9736 -11.9736 -9.7523 -9.7523 -9.5480 -9.5480 -8.9498 -8.9498 -6.8005 -6.8005 -5.9167 -5.9167 -5.1511 -5.1511 -4.9501 -4.9501 -4.6546 -4.6546 -4.2223 -4.2223 -3.5748 -3.5748 -3.4278 -3.4278 -3.0185 -3.0185 -2.7325 -2.7325 -2.4580 -2.4580 -2.4318 -2.4318 -2.1925 -2.1925 -2.1747 -2.1747 -1.9552 -1.9552 -1.7439 -1.7439 -1.5837 -1.5837 -1.4983 -1.4983 -0.8833 -0.8833 -0.4403 -0.4403 -0.1462 -0.1462 0.1034 0.1034 4.8287 4.8287 4.8458 4.8458 5.9401 5.9401 6.3859 6.3859 6.5131 6.5131 6.5891 6.5891 k = 0.1290-0.2234 0.5754 ( 9898 PWs) bands (ev): -16.7293 -16.7293 -16.5532 -16.5532 -15.6789 -15.6789 -14.9125 -14.9125 -13.4106 -13.4106 -12.8040 -12.8040 -11.9729 -11.9729 -9.7555 -9.7555 -9.5448 -9.5448 -8.9515 -8.9515 -6.8042 -6.8042 -5.9237 -5.9237 -5.1528 -5.1528 -4.9693 -4.9693 -4.6517 -4.6517 -4.2221 -4.2221 -3.5613 -3.5613 -3.4185 -3.4185 -3.0083 -3.0083 -2.7302 -2.7302 -2.4702 -2.4702 -2.4227 -2.4227 -2.2001 -2.2001 -2.1698 -2.1698 -1.9539 -1.9539 -1.7488 -1.7488 -1.5779 -1.5779 -1.4941 -1.4941 -0.8799 -0.8799 -0.4395 -0.4395 -0.1392 -0.1392 0.1125 0.1125 4.8109 4.8109 4.8365 4.8365 5.9184 5.9184 6.3924 6.3924 6.5017 6.5017 6.5854 6.5854 k = 0.1183-0.2048 0.5754 ( 9906 PWs) bands (ev): -16.7307 -16.7307 -16.5521 -16.5521 -15.6780 -15.6780 -14.9143 -14.9143 -13.4098 -13.4098 -12.8015 -12.8015 -11.9723 -11.9723 -9.7586 -9.7586 -9.5416 -9.5416 -8.9532 -8.9532 -6.8083 -6.8083 -5.9302 -5.9302 -5.1540 -5.1540 -4.9880 -4.9880 -4.6489 -4.6489 -4.2220 -4.2220 -3.5478 -3.5478 -3.4101 -3.4101 -2.9969 -2.9969 -2.7286 -2.7286 -2.4828 -2.4828 -2.4137 -2.4137 -2.2079 -2.2079 -2.1646 -2.1646 -1.9528 -1.9528 -1.7527 -1.7527 -1.5724 -1.5724 -1.4900 -1.4900 -0.8768 -0.8768 -0.4389 -0.4389 -0.1326 -0.1326 0.1216 0.1216 4.7935 4.7935 4.8275 4.8275 5.8982 5.8982 6.3994 6.3994 6.4909 6.4909 6.5806 6.5806 k = 0.1075-0.1862 0.5754 ( 9902 PWs) bands (ev): -16.7321 -16.7321 -16.5510 -16.5510 -15.6772 -15.6772 -14.9160 -14.9160 -13.4090 -13.4090 -12.7990 -12.7990 -11.9717 -11.9717 -9.7616 -9.7616 -9.5385 -9.5385 -8.9548 -8.9548 -6.8127 -6.8127 -5.9360 -5.9360 -5.1549 -5.1549 -5.0060 -5.0060 -4.6462 -4.6462 -4.2220 -4.2220 -3.5344 -3.5344 -3.4026 -3.4026 -2.9843 -2.9843 -2.7279 -2.7279 -2.4957 -2.4957 -2.4051 -2.4051 -2.2154 -2.2154 -2.1595 -2.1595 -1.9520 -1.9520 -1.7556 -1.7556 -1.5674 -1.5674 -1.4861 -1.4861 -0.8740 -0.8740 -0.4384 -0.4384 -0.1267 -0.1267 0.1304 0.1304 4.7768 4.7768 4.8191 4.8191 5.8795 5.8795 6.4069 6.4069 6.4807 6.4807 6.5751 6.5751 k = 0.0968-0.1676 0.5754 ( 9908 PWs) bands (ev): -16.7333 -16.7333 -16.5501 -16.5501 -15.6764 -15.6764 -14.9175 -14.9175 -13.4083 -13.4083 -12.7967 -12.7967 -11.9711 -11.9711 -9.7646 -9.7646 -9.5354 -9.5354 -8.9563 -8.9563 -6.8172 -6.8172 -5.9413 -5.9413 -5.1553 -5.1553 -5.0232 -5.0232 -4.6436 -4.6436 -4.2221 -4.2221 -3.5214 -3.5214 -3.3960 -3.3960 -2.9705 -2.9705 -2.7284 -2.7284 -2.5086 -2.5086 -2.3970 -2.3970 -2.2226 -2.2226 -2.1547 -2.1547 -1.9515 -1.9515 -1.7575 -1.7575 -1.5628 -1.5628 -1.4824 -1.4824 -0.8714 -0.8714 -0.4380 -0.4380 -0.1213 -0.1213 0.1388 0.1388 4.7610 4.7610 4.8112 4.8112 5.8623 5.8623 6.4146 6.4146 6.4714 6.4714 6.5691 6.5691 k = 0.0860-0.1489 0.5754 ( 9904 PWs) bands (ev): -16.7344 -16.7344 -16.5492 -16.5492 -15.6758 -15.6758 -14.9189 -14.9189 -13.4076 -13.4076 -12.7945 -12.7945 -11.9707 -11.9707 -9.7673 -9.7673 -9.5325 -9.5325 -8.9578 -8.9578 -6.8216 -6.8216 -5.9461 -5.9461 -5.1553 -5.1553 -5.0393 -5.0393 -4.6412 -4.6412 -4.2222 -4.2222 -3.5091 -3.5091 -3.3901 -3.3901 -2.9555 -2.9555 -2.7302 -2.7302 -2.5213 -2.5213 -2.3896 -2.3896 -2.2294 -2.2294 -2.1503 -2.1503 -1.9511 -1.9511 -1.7587 -1.7587 -1.5588 -1.5588 -1.4789 -1.4789 -0.8691 -0.8691 -0.4376 -0.4376 -0.1164 -0.1164 0.1468 0.1468 4.7462 4.7462 4.8040 4.8040 5.8468 5.8468 6.4223 6.4223 6.4628 6.4628 6.5629 6.5629 k = 0.0753-0.1303 0.5754 ( 9908 PWs) bands (ev): -16.7354 -16.7354 -16.5484 -16.5484 -15.6752 -15.6752 -14.9202 -14.9202 -13.4071 -13.4071 -12.7924 -12.7924 -11.9702 -11.9702 -9.7699 -9.7699 -9.5299 -9.5299 -8.9591 -8.9591 -6.8259 -6.8259 -5.9502 -5.9502 -5.1550 -5.1550 -5.0543 -5.0543 -4.6391 -4.6391 -4.2223 -4.2223 -3.4977 -3.4977 -3.3850 -3.3850 -2.9394 -2.9394 -2.7335 -2.7335 -2.5335 -2.5335 -2.3827 -2.3827 -2.2356 -2.2356 -2.1463 -2.1463 -1.9508 -1.9508 -1.7591 -1.7591 -1.5552 -1.5552 -1.4757 -1.4757 -0.8670 -0.8670 -0.4372 -0.4372 -0.1122 -0.1122 0.1541 0.1541 4.7326 4.7326 4.7973 4.7973 5.8330 5.8330 6.4299 6.4299 6.4552 6.4552 6.5569 6.5569 k = 0.0645-0.1117 0.5754 ( 9910 PWs) bands (ev): -16.7363 -16.7363 -16.5477 -16.5477 -15.6747 -15.6747 -14.9213 -14.9213 -13.4065 -13.4065 -12.7905 -12.7905 -11.9699 -11.9699 -9.7722 -9.7722 -9.5275 -9.5275 -8.9603 -8.9603 -6.8299 -6.8299 -5.9538 -5.9538 -5.1542 -5.1542 -5.0679 -5.0679 -4.6372 -4.6372 -4.2225 -4.2225 -3.4875 -3.4875 -3.3806 -3.3806 -2.9224 -2.9224 -2.7385 -2.7385 -2.5447 -2.5447 -2.3767 -2.3767 -2.2414 -2.2414 -2.1428 -2.1428 -1.9507 -1.9507 -1.7591 -1.7591 -1.5522 -1.5522 -1.4728 -1.4728 -0.8652 -0.8652 -0.4369 -0.4369 -0.1086 -0.1086 0.1607 0.1607 4.7205 4.7205 4.7915 4.7915 5.8209 5.8209 6.4369 6.4369 6.4486 6.4486 6.5515 6.5515 k = 0.0538-0.0931 0.5754 ( 9910 PWs) bands (ev): -16.7370 -16.7370 -16.5472 -16.5472 -15.6742 -15.6742 -14.9222 -14.9222 -13.4061 -13.4061 -12.7889 -12.7889 -11.9696 -11.9696 -9.7742 -9.7742 -9.5253 -9.5253 -8.9613 -8.9613 -6.8335 -6.8335 -5.9568 -5.9568 -5.1530 -5.1530 -5.0802 -5.0802 -4.6356 -4.6356 -4.2227 -4.2227 -3.4786 -3.4786 -3.3770 -3.3770 -2.9046 -2.9046 -2.7455 -2.7455 -2.5548 -2.5548 -2.3714 -2.3714 -2.2465 -2.2465 -2.1399 -2.1399 -1.9506 -1.9506 -1.7586 -1.7586 -1.5497 -1.5497 -1.4702 -1.4702 -0.8637 -0.8637 -0.4366 -0.4366 -0.1055 -0.1055 0.1664 0.1664 4.7100 4.7100 4.7864 4.7864 5.8106 5.8106 6.4410 6.4410 6.4453 6.4453 6.5470 6.5470 k = 0.0430-0.0745 0.5754 ( 9904 PWs) bands (ev): -16.7376 -16.7376 -16.5467 -16.5467 -15.6739 -15.6739 -14.9230 -14.9230 -13.4057 -13.4057 -12.7875 -12.7875 -11.9693 -11.9693 -9.7759 -9.7759 -9.5235 -9.5235 -8.9622 -8.9622 -6.8366 -6.8366 -5.9592 -5.9592 -5.1515 -5.1515 -5.0910 -5.0910 -4.6343 -4.6343 -4.2228 -4.2228 -3.4711 -3.4711 -3.3740 -3.3740 -2.8863 -2.8863 -2.7546 -2.7546 -2.5633 -2.5633 -2.3669 -2.3669 -2.2508 -2.2508 -2.1374 -2.1374 -1.9505 -1.9505 -1.7580 -1.7580 -1.5477 -1.5477 -1.4681 -1.4681 -0.8625 -0.8625 -0.4363 -0.4363 -0.1030 -0.1030 0.1713 0.1713 4.7011 4.7011 4.7822 4.7822 5.8021 5.8021 6.4373 6.4373 6.4496 6.4496 6.5436 6.5436 k = 0.0323-0.0559 0.5754 ( 9916 PWs) bands (ev): -16.7381 -16.7381 -16.5463 -16.5463 -15.6736 -15.6736 -14.9236 -14.9236 -13.4054 -13.4054 -12.7864 -12.7864 -11.9691 -11.9691 -9.7772 -9.7772 -9.5221 -9.5221 -8.9629 -8.9629 -6.8391 -6.8391 -5.9611 -5.9611 -5.1496 -5.1496 -5.1001 -5.1001 -4.6333 -4.6333 -4.2229 -4.2229 -3.4653 -3.4653 -3.3717 -3.3717 -2.8678 -2.8678 -2.7657 -2.7657 -2.5700 -2.5700 -2.3633 -2.3633 -2.2544 -2.2544 -2.1355 -2.1355 -1.9505 -1.9505 -1.7574 -1.7574 -1.5461 -1.5461 -1.4663 -1.4663 -0.8616 -0.8616 -0.4361 -0.4361 -0.1010 -0.1010 0.1751 0.1751 4.6941 4.6941 4.7788 4.7788 5.7954 5.7954 6.4337 6.4337 6.4537 6.4537 6.5413 6.5413 k = 0.0215-0.0372 0.5754 ( 9914 PWs) bands (ev): -16.7385 -16.7385 -16.5460 -16.5460 -15.6734 -15.6734 -14.9240 -14.9240 -13.4052 -13.4052 -12.7856 -12.7856 -11.9690 -11.9690 -9.7782 -9.7782 -9.5211 -9.5211 -8.9634 -8.9634 -6.8409 -6.8409 -5.9624 -5.9624 -5.1477 -5.1477 -5.1073 -5.1073 -4.6325 -4.6325 -4.2230 -4.2230 -3.4610 -3.4610 -3.3701 -3.3701 -2.8496 -2.8496 -2.7786 -2.7786 -2.5749 -2.5749 -2.3607 -2.3607 -2.2570 -2.2570 -2.1342 -2.1342 -1.9505 -1.9505 -1.7568 -1.7568 -1.5450 -1.5450 -1.4651 -1.4651 -0.8609 -0.8609 -0.4359 -0.4359 -0.0997 -0.0997 0.1779 0.1779 4.6891 4.6891 4.7764 4.7764 5.7907 5.7907 6.4311 6.4311 6.4566 6.4566 6.5400 6.5400 k = 0.0108-0.0186 0.5754 ( 9918 PWs) bands (ev): -16.7387 -16.7387 -16.5459 -16.5459 -15.6733 -15.6733 -14.9243 -14.9243 -13.4051 -13.4051 -12.7851 -12.7851 -11.9689 -11.9689 -9.7788 -9.7788 -9.5204 -9.5204 -8.9637 -8.9637 -6.8420 -6.8420 -5.9632 -5.9632 -5.1461 -5.1461 -5.1120 -5.1120 -4.6321 -4.6321 -4.2231 -4.2231 -3.4584 -3.4584 -3.3691 -3.3691 -2.8325 -2.8325 -2.7924 -2.7924 -2.5778 -2.5778 -2.3591 -2.3591 -2.2587 -2.2587 -2.1333 -2.1333 -1.9505 -1.9505 -1.7564 -1.7564 -1.5444 -1.5444 -1.4643 -1.4643 -0.8605 -0.8605 -0.4358 -0.4358 -0.0988 -0.0988 0.1796 0.1796 4.6860 4.6860 4.7749 4.7749 5.7878 5.7878 6.4295 6.4295 6.4582 6.4582 6.5395 6.5395 k = 0.0000 0.0000 0.5754 ( 9922 PWs) bands (ev): -16.7388 -16.7388 -16.5458 -16.5458 -15.6733 -15.6733 -14.9243 -14.9243 -13.4050 -13.4050 -12.7849 -12.7849 -11.9689 -11.9689 -9.7790 -9.7790 -9.5202 -9.5202 -8.9638 -8.9638 -6.8424 -6.8424 -5.9635 -5.9635 -5.1455 -5.1455 -5.1137 -5.1137 -4.6319 -4.6319 -4.2231 -4.2231 -3.4576 -3.4576 -3.3688 -3.3688 -2.8223 -2.8223 -2.8016 -2.8016 -2.5788 -2.5788 -2.3586 -2.3586 -2.2592 -2.2592 -2.1331 -2.1331 -1.9505 -1.9505 -1.7563 -1.7563 -1.5442 -1.5442 -1.4640 -1.4640 -0.8603 -0.8603 -0.4358 -0.4358 -0.0986 -0.0986 0.1802 0.1802 4.6849 4.6849 4.7744 4.7744 5.7869 5.7869 6.4289 6.4289 6.4588 6.4588 6.5393 6.5393 k = 0.0000 0.0000 0.5754 ( 9922 PWs) bands (ev): -16.7388 -16.7388 -16.5458 -16.5458 -15.6733 -15.6733 -14.9243 -14.9243 -13.4050 -13.4050 -12.7849 -12.7849 -11.9689 -11.9689 -9.7790 -9.7790 -9.5202 -9.5202 -8.9638 -8.9638 -6.8424 -6.8424 -5.9635 -5.9635 -5.1455 -5.1455 -5.1137 -5.1137 -4.6319 -4.6319 -4.2231 -4.2231 -3.4576 -3.4576 -3.3688 -3.3688 -2.8223 -2.8223 -2.8016 -2.8016 -2.5788 -2.5788 -2.3586 -2.3586 -2.2592 -2.2592 -2.1331 -2.1331 -1.9505 -1.9505 -1.7563 -1.7563 -1.5442 -1.5442 -1.4640 -1.4640 -0.8603 -0.8603 -0.4358 -0.4358 -0.0986 -0.0986 0.1802 0.1802 4.6849 4.6849 4.7744 4.7744 5.7869 5.7869 6.4289 6.4289 6.4588 6.4588 6.5393 6.5393 k = 0.0181 0.0105 0.5754 ( 9918 PWs) bands (ev): -16.7386 -16.7386 -16.5459 -16.5459 -15.6734 -15.6734 -14.9242 -14.9242 -13.4051 -13.4051 -12.7849 -12.7849 -11.9689 -11.9689 -9.7789 -9.7789 -9.5202 -9.5202 -8.9636 -8.9636 -6.8428 -6.8428 -5.9633 -5.9633 -5.1449 -5.1449 -5.1132 -5.1132 -4.6318 -4.6318 -4.2235 -4.2235 -3.4575 -3.4575 -3.3705 -3.3705 -2.8211 -2.8211 -2.8016 -2.8016 -2.5798 -2.5798 -2.3570 -2.3570 -2.2595 -2.2595 -2.1352 -2.1352 -1.9480 -1.9480 -1.7575 -1.7575 -1.5444 -1.5444 -1.4633 -1.4633 -0.8600 -0.8600 -0.4368 -0.4368 -0.0984 -0.0984 0.1797 0.1797 4.6844 4.6844 4.7754 4.7754 5.7888 5.7888 6.4239 6.4239 6.4656 6.4656 6.5401 6.5401 k = 0.0362 0.0209 0.5754 ( 9914 PWs) bands (ev): -16.7382 -16.7382 -16.5463 -16.5463 -15.6738 -15.6738 -14.9238 -14.9238 -13.4052 -13.4052 -12.7850 -12.7850 -11.9691 -11.9691 -9.7786 -9.7786 -9.5203 -9.5203 -8.9632 -8.9632 -6.8442 -6.8442 -5.9626 -5.9626 -5.1431 -5.1431 -5.1117 -5.1117 -4.6314 -4.6314 -4.2245 -4.2245 -3.4572 -3.4572 -3.3758 -3.3758 -2.8178 -2.8178 -2.8017 -2.8017 -2.5828 -2.5828 -2.3523 -2.3523 -2.2605 -2.2605 -2.1413 -2.1413 -1.9408 -1.9408 -1.7609 -1.7609 -1.5449 -1.5449 -1.4612 -1.4612 -0.8592 -0.8592 -0.4399 -0.4399 -0.0978 -0.0978 0.1783 0.1783 4.6828 4.6828 4.7780 4.7780 5.7945 5.7945 6.4149 6.4149 6.4800 6.4800 6.5425 6.5425 k = 0.0543 0.0314 0.5754 ( 9902 PWs) bands (ev): -16.7374 -16.7374 -16.5469 -16.5469 -15.6744 -15.6744 -14.9232 -14.9232 -13.4053 -13.4053 -12.7851 -12.7851 -11.9693 -11.9693 -9.7782 -9.7782 -9.5204 -9.5204 -8.9625 -8.9625 -6.8465 -6.8465 -5.9616 -5.9616 -5.1401 -5.1401 -5.1091 -5.1091 -4.6308 -4.6308 -4.2263 -4.2263 -3.4568 -3.4568 -3.3844 -3.3844 -2.8128 -2.8128 -2.8018 -2.8018 -2.5872 -2.5872 -2.3450 -2.3450 -2.2621 -2.2621 -2.1504 -2.1504 -1.9301 -1.9301 -1.7664 -1.7664 -1.5458 -1.5458 -1.4578 -1.4578 -0.8577 -0.8577 -0.4450 -0.4450 -0.0971 -0.0971 0.1761 0.1761 4.6805 4.6805 4.7822 4.7822 5.8039 5.8039 6.4065 6.4065 6.4972 6.4972 6.5464 6.5464 k = 0.0724 0.0418 0.5754 ( 9901 PWs) bands (ev): -16.7364 -16.7364 -16.5478 -16.5478 -15.6752 -15.6752 -14.9223 -14.9223 -13.4056 -13.4056 -12.7852 -12.7852 -11.9697 -11.9697 -9.7776 -9.7776 -9.5206 -9.5206 -8.9615 -8.9615 -6.8497 -6.8497 -5.9601 -5.9601 -5.1360 -5.1360 -5.1056 -5.1056 -4.6299 -4.6299 -4.2288 -4.2288 -3.4563 -3.4563 -3.3957 -3.3957 -2.8077 -2.8077 -2.8011 -2.8011 -2.5922 -2.5922 -2.3353 -2.3353 -2.2642 -2.2642 -2.1612 -2.1612 -1.9168 -1.9168 -1.7738 -1.7738 -1.5468 -1.5468 -1.4535 -1.4535 -0.8557 -0.8557 -0.4520 -0.4520 -0.0963 -0.0963 0.1731 0.1731 4.6778 4.6778 4.7875 4.7875 5.8170 5.8170 6.3998 6.3998 6.5160 6.5160 6.5519 6.5519 k = 0.0905 0.0523 0.5754 ( 9895 PWs) bands (ev): -16.7351 -16.7351 -16.5489 -16.5489 -15.6763 -15.6763 -14.9212 -14.9212 -13.4059 -13.4059 -12.7853 -12.7853 -11.9702 -11.9702 -9.7768 -9.7768 -9.5208 -9.5208 -8.9602 -8.9602 -6.8537 -6.8537 -5.9581 -5.9581 -5.1309 -5.1309 -5.1011 -5.1011 -4.6288 -4.6288 -4.2320 -4.2320 -3.4558 -3.4558 -3.4094 -3.4094 -2.8058 -2.8058 -2.7974 -2.7974 -2.5969 -2.5969 -2.3239 -2.3239 -2.2667 -2.2667 -2.1728 -2.1728 -1.9021 -1.9021 -1.7829 -1.7829 -1.5479 -1.5479 -1.4485 -1.4485 -0.8532 -0.8532 -0.4605 -0.4605 -0.0957 -0.0957 0.1695 0.1695 4.6749 4.6749 4.7936 4.7936 5.8337 5.8337 6.3953 6.3953 6.5358 6.5358 6.5587 6.5587 k = 0.1086 0.0627 0.5754 ( 9896 PWs) bands (ev): -16.7335 -16.7335 -16.5503 -16.5503 -15.6776 -15.6776 -14.9199 -14.9199 -13.4063 -13.4063 -12.7854 -12.7854 -11.9708 -11.9708 -9.7758 -9.7758 -9.5210 -9.5210 -8.9587 -8.9587 -6.8584 -6.8584 -5.9558 -5.9558 -5.1247 -5.1247 -5.0956 -5.0956 -4.6275 -4.6275 -4.2358 -4.2358 -3.4557 -3.4557 -3.4246 -3.4246 -2.8062 -2.8062 -2.7928 -2.7928 -2.6000 -2.6000 -2.3111 -2.3111 -2.2697 -2.2697 -2.1845 -2.1845 -1.8867 -1.8867 -1.7933 -1.7933 -1.5490 -1.5490 -1.4430 -1.4430 -0.8501 -0.8501 -0.4706 -0.4706 -0.0956 -0.0956 0.1653 0.1653 4.6723 4.6723 4.8001 4.8001 5.8537 5.8537 6.3931 6.3931 6.5559 6.5559 6.5669 6.5669 k = 0.1267 0.0732 0.5754 ( 9899 PWs) bands (ev): -16.7316 -16.7316 -16.5519 -16.5519 -15.6791 -15.6791 -14.9183 -14.9183 -13.4067 -13.4067 -12.7856 -12.7856 -11.9715 -11.9715 -9.7748 -9.7748 -9.5213 -9.5213 -8.9569 -8.9569 -6.8639 -6.8639 -5.9530 -5.9530 -5.1175 -5.1175 -5.0893 -5.0893 -4.6260 -4.6260 -4.2403 -4.2403 -3.4579 -3.4579 -3.4391 -3.4391 -2.8076 -2.8076 -2.7900 -2.7900 -2.6005 -2.6005 -2.2975 -2.2975 -2.2728 -2.2728 -2.1955 -2.1955 -1.8716 -1.8716 -1.8043 -1.8043 -1.5500 -1.5500 -1.4372 -1.4372 -0.8466 -0.8466 -0.4818 -0.4818 -0.0961 -0.0961 0.1608 0.1608 4.6700 4.6700 4.8070 4.8070 5.8770 5.8770 6.3932 6.3932 6.5742 6.5742 6.5784 6.5784 k = 0.1448 0.0836 0.5754 ( 9894 PWs) bands (ev): -16.7295 -16.7295 -16.5537 -16.5537 -15.6807 -15.6807 -14.9165 -14.9165 -13.4072 -13.4072 -12.7858 -12.7858 -11.9723 -11.9723 -9.7736 -9.7736 -9.5216 -9.5216 -8.9549 -8.9549 -6.8700 -6.8700 -5.9498 -5.9498 -5.1094 -5.1094 -5.0822 -5.0822 -4.6244 -4.6244 -4.2453 -4.2453 -3.4686 -3.4686 -3.4460 -3.4460 -2.8095 -2.8095 -2.7904 -2.7904 -2.5975 -2.5975 -2.2839 -2.2839 -2.2756 -2.2756 -2.2053 -2.2053 -1.8583 -1.8583 -1.8146 -1.8146 -1.5509 -1.5509 -1.4313 -1.4313 -0.8426 -0.8426 -0.4941 -0.4941 -0.0977 -0.0977 0.1562 0.1562 4.6683 4.6683 4.8139 4.8139 5.9033 5.9033 6.3957 6.3957 6.5855 6.5855 6.5978 6.5978 k = 0.1629 0.0941 0.5754 ( 9881 PWs) bands (ev): -16.7272 -16.7272 -16.5558 -16.5558 -15.6825 -15.6825 -14.9144 -14.9144 -13.4078 -13.4078 -12.7860 -12.7860 -11.9732 -11.9732 -9.7724 -9.7724 -9.5220 -9.5220 -8.9528 -8.9528 -6.8767 -6.8767 -5.9461 -5.9461 -5.1005 -5.1005 -5.0743 -5.0743 -4.6226 -4.6226 -4.2508 -4.2508 -3.4865 -3.4865 -3.4466 -3.4466 -2.8120 -2.8120 -2.7945 -2.7945 -2.5907 -2.5907 -2.2800 -2.2800 -2.2691 -2.2691 -2.2129 -2.2129 -1.8519 -1.8519 -1.8194 -1.8194 -1.5517 -1.5517 -1.4255 -1.4255 -0.8382 -0.8382 -0.5072 -0.5072 -0.1005 -0.1005 0.1516 0.1516 4.6673 4.6673 4.8207 4.8207 5.9324 5.9324 6.4006 6.4006 6.5966 6.5966 6.6180 6.6180 k = 0.1810 0.1045 0.5754 ( 9880 PWs) bands (ev): -16.7246 -16.7246 -16.5580 -16.5580 -15.6845 -15.6845 -14.9122 -14.9122 -13.4084 -13.4084 -12.7862 -12.7862 -11.9742 -11.9742 -9.7712 -9.7712 -9.5224 -9.5224 -8.9504 -8.9504 -6.8839 -6.8839 -5.9421 -5.9421 -5.0910 -5.0910 -5.0658 -5.0658 -4.6207 -4.6207 -4.2569 -4.2569 -3.5065 -3.5065 -3.4457 -3.4457 -2.8156 -2.8156 -2.8018 -2.8018 -2.5805 -2.5805 -2.2828 -2.2828 -2.2580 -2.2580 -2.2167 -2.2167 -1.8579 -1.8579 -1.8129 -1.8129 -1.5523 -1.5523 -1.4199 -1.4199 -0.8334 -0.8334 -0.5209 -0.5209 -0.1048 -0.1048 0.1471 0.1471 4.6671 4.6671 4.8272 4.8272 5.9640 5.9640 6.4076 6.4076 6.6082 6.6082 6.6378 6.6378 k = 0.1991 0.1150 0.5754 ( 9882 PWs) bands (ev): -16.7219 -16.7219 -16.5605 -16.5605 -15.6865 -15.6865 -14.9097 -14.9097 -13.4090 -13.4090 -12.7864 -12.7864 -11.9753 -11.9753 -9.7699 -9.7699 -9.5228 -9.5228 -8.9479 -8.9479 -6.8915 -6.8915 -5.9376 -5.9376 -5.0807 -5.0807 -5.0567 -5.0567 -4.6187 -4.6187 -4.2633 -4.2633 -3.5272 -3.5272 -3.4443 -3.4443 -2.8213 -2.8213 -2.8106 -2.8106 -2.5675 -2.5675 -2.2854 -2.2854 -2.2516 -2.2516 -2.2138 -2.2138 -1.8703 -1.8703 -1.8013 -1.8013 -1.5527 -1.5527 -1.4145 -1.4145 -0.8284 -0.8284 -0.5350 -0.5350 -0.1108 -0.1108 0.1431 0.1431 4.6677 4.6677 4.8334 4.8334 5.9978 5.9978 6.4168 6.4168 6.6201 6.6201 6.6571 6.6571 k = 0.2172 0.1254 0.5754 ( 9881 PWs) bands (ev): -16.7189 -16.7189 -16.5632 -16.5632 -15.6887 -15.6887 -14.9071 -14.9071 -13.4097 -13.4097 -12.7867 -12.7867 -11.9765 -11.9765 -9.7686 -9.7686 -9.5232 -9.5232 -8.9453 -8.9453 -6.8993 -6.8993 -5.9327 -5.9327 -5.0700 -5.0700 -5.0471 -5.0471 -4.6167 -4.6167 -4.2701 -4.2701 -3.5482 -3.5482 -3.4427 -3.4427 -2.8315 -2.8315 -2.8177 -2.8177 -2.5527 -2.5527 -2.2876 -2.2876 -2.2503 -2.2503 -2.2040 -2.2040 -1.8846 -1.8846 -1.7890 -1.7890 -1.5530 -1.5530 -1.4094 -1.4094 -0.8232 -0.8232 -0.5493 -0.5493 -0.1184 -0.1184 0.1395 0.1395 4.6692 4.6692 4.8391 4.8391 6.0335 6.0335 6.4280 6.4280 6.6323 6.6323 6.6758 6.6758 k = 0.2353 0.1359 0.5754 ( 9880 PWs) bands (ev): -16.7158 -16.7158 -16.5661 -16.5661 -15.6909 -15.6909 -14.9042 -14.9042 -13.4105 -13.4105 -12.7869 -12.7869 -11.9778 -11.9778 -9.7674 -9.7674 -9.5237 -9.5237 -8.9426 -8.9426 -6.9074 -6.9074 -5.9274 -5.9274 -5.0588 -5.0588 -5.0371 -5.0371 -4.6146 -4.6146 -4.2772 -4.2772 -3.5693 -3.5693 -3.4410 -3.4410 -2.8456 -2.8456 -2.8232 -2.8232 -2.5369 -2.5369 -2.2891 -2.2891 -2.2509 -2.2509 -2.1908 -2.1908 -1.8997 -1.8997 -1.7772 -1.7772 -1.5530 -1.5530 -1.4046 -1.4046 -0.8178 -0.8178 -0.5635 -0.5635 -0.1278 -0.1278 0.1364 0.1364 4.6716 4.6716 4.8443 4.8443 6.0707 6.0707 6.4408 6.4408 6.6444 6.6444 6.6939 6.6939 k = 0.2534 0.1463 0.5754 ( 9882 PWs) bands (ev): -16.7126 -16.7126 -16.5691 -16.5691 -15.6932 -15.6932 -14.9012 -14.9012 -13.4112 -13.4112 -12.7872 -12.7872 -11.9792 -11.9792 -9.7663 -9.7663 -9.5241 -9.5241 -8.9398 -8.9398 -6.9156 -6.9156 -5.9217 -5.9217 -5.0472 -5.0472 -5.0268 -5.0268 -4.6125 -4.6125 -4.2845 -4.2845 -3.5902 -3.5902 -3.4393 -3.4393 -2.8615 -2.8615 -2.8285 -2.8285 -2.5207 -2.5207 -2.2898 -2.2898 -2.2508 -2.2508 -2.1765 -2.1765 -1.9150 -1.9150 -1.7663 -1.7663 -1.5527 -1.5527 -1.4001 -1.4001 -0.8125 -0.8125 -0.5776 -0.5776 -0.1387 -0.1387 0.1337 0.1337 4.6748 4.6748 4.8488 4.8488 6.1091 6.1091 6.4553 6.4553 6.6562 6.6562 6.7112 6.7112 k = 0.2715 0.1568 0.5754 ( 9878 PWs) bands (ev): -16.7092 -16.7092 -16.5722 -16.5722 -15.6955 -15.6955 -14.8980 -14.8980 -13.4120 -13.4120 -12.7874 -12.7874 -11.9806 -11.9806 -9.7653 -9.7653 -9.5246 -9.5246 -8.9370 -8.9370 -6.9239 -6.9239 -5.9156 -5.9156 -5.0354 -5.0354 -5.0164 -5.0164 -4.6104 -4.6104 -4.2919 -4.2919 -3.6108 -3.6108 -3.4376 -3.4376 -2.8785 -2.8785 -2.8341 -2.8341 -2.5048 -2.5048 -2.2897 -2.2897 -2.2493 -2.2493 -2.1621 -2.1621 -1.9302 -1.9302 -1.7566 -1.7566 -1.5522 -1.5522 -1.3960 -1.3960 -0.8074 -0.8074 -0.5912 -0.5912 -0.1512 -0.1512 0.1316 0.1316 4.6789 4.6789 4.8527 4.8527 6.1481 6.1481 6.4710 6.4710 6.6676 6.6676 6.7278 6.7278 k = 0.2896 0.1672 0.5754 ( 9879 PWs) bands (ev): -16.7059 -16.7059 -16.5755 -16.5755 -15.6978 -15.6978 -14.8946 -14.8946 -13.4129 -13.4129 -12.7876 -12.7876 -11.9822 -11.9822 -9.7645 -9.7645 -9.5251 -9.5251 -8.9342 -8.9342 -6.9320 -6.9320 -5.9092 -5.9092 -5.0234 -5.0234 -5.0060 -5.0060 -4.6083 -4.6083 -4.2995 -4.2995 -3.6310 -3.6310 -3.4359 -3.4359 -2.8959 -2.8959 -2.8399 -2.8399 -2.4896 -2.4896 -2.2887 -2.2887 -2.2459 -2.2459 -2.1480 -2.1480 -1.9453 -1.9453 -1.7482 -1.7482 -1.5513 -1.5513 -1.3922 -1.3922 -0.8026 -0.8026 -0.6042 -0.6042 -0.1649 -0.1649 0.1298 0.1298 4.6837 4.6837 4.8557 4.8557 6.1873 6.1873 6.4879 6.4879 6.6785 6.6785 6.7435 6.7435 k = 0.3077 0.1777 0.5754 ( 9876 PWs) bands (ev): -16.7025 -16.7025 -16.5788 -16.5788 -15.7000 -15.7000 -14.8911 -14.8911 -13.4137 -13.4137 -12.7879 -12.7879 -11.9839 -11.9839 -9.7638 -9.7638 -9.5256 -9.5256 -8.9314 -8.9314 -6.9400 -6.9400 -5.9025 -5.9025 -5.0114 -5.0114 -4.9957 -4.9957 -4.6063 -4.6063 -4.3070 -4.3070 -3.6507 -3.6507 -3.4344 -3.4344 -2.9134 -2.9134 -2.8460 -2.8460 -2.4755 -2.4755 -2.2867 -2.2867 -2.2403 -2.2403 -2.1346 -2.1346 -1.9599 -1.9599 -1.7411 -1.7411 -1.5501 -1.5501 -1.3888 -1.3888 -0.7983 -0.7983 -0.6164 -0.6164 -0.1796 -0.1796 0.1282 0.1282 4.6893 4.6893 4.8580 4.8580 6.2262 6.2262 6.5055 6.5055 6.6885 6.6885 6.7581 6.7581 k = 0.3258 0.1882 0.5754 ( 9883 PWs) bands (ev): -16.6991 -16.6991 -16.5822 -16.5822 -15.7022 -15.7022 -14.8875 -14.8875 -13.4146 -13.4146 -12.7881 -12.7881 -11.9856 -11.9856 -9.7633 -9.7633 -9.5260 -9.5260 -8.9287 -8.9287 -6.9478 -6.9478 -5.8956 -5.8956 -4.9994 -4.9994 -4.9857 -4.9857 -4.6044 -4.6044 -4.3145 -4.3145 -3.6696 -3.6696 -3.4330 -3.4330 -2.9309 -2.9309 -2.8522 -2.8522 -2.4627 -2.4627 -2.2839 -2.2839 -2.2326 -2.2326 -2.1220 -2.1220 -1.9739 -1.9739 -1.7353 -1.7353 -1.5485 -1.5485 -1.3856 -1.3856 -0.7949 -0.7949 -0.6274 -0.6274 -0.1950 -0.1950 0.1269 0.1269 4.6955 4.6955 4.8592 4.8592 6.2643 6.2643 6.5238 6.5238 6.6977 6.6977 6.7715 6.7715 k = 0.3439 0.1986 0.5754 ( 9875 PWs) bands (ev): -16.6958 -16.6958 -16.5855 -16.5855 -15.7043 -15.7043 -14.8837 -14.8837 -13.4155 -13.4155 -12.7883 -12.7883 -11.9874 -11.9874 -9.7631 -9.7631 -9.5265 -9.5265 -8.9261 -8.9261 -6.9552 -6.9552 -5.8883 -5.8883 -4.9876 -4.9876 -4.9761 -4.9761 -4.6024 -4.6024 -4.3219 -4.3219 -3.6879 -3.6879 -3.4318 -3.4318 -2.9481 -2.9481 -2.8583 -2.8583 -2.4514 -2.4514 -2.2804 -2.2804 -2.2228 -2.2228 -2.1105 -2.1105 -1.9872 -1.9872 -1.7310 -1.7310 -1.5464 -1.5464 -1.3828 -1.3828 -0.7925 -0.7925 -0.6370 -0.6370 -0.2109 -0.2109 0.1256 0.1256 4.7022 4.7022 4.8596 4.8596 6.3009 6.3009 6.5424 6.5424 6.7061 6.7061 6.7834 6.7834 k = 0.3619 0.2091 0.5754 ( 9889 PWs) bands (ev): -16.6928 -16.6928 -16.5888 -16.5888 -15.7063 -15.7063 -14.8798 -14.8798 -13.4164 -13.4164 -12.7885 -12.7885 -11.9893 -11.9893 -9.7632 -9.7632 -9.5269 -9.5269 -8.9236 -8.9236 -6.9623 -6.9623 -5.8808 -5.8808 -4.9759 -4.9759 -4.9671 -4.9671 -4.6006 -4.6006 -4.3291 -4.3291 -3.7053 -3.7053 -3.4308 -3.4308 -2.9649 -2.9649 -2.8642 -2.8642 -2.4416 -2.4416 -2.2762 -2.2762 -2.2111 -2.2111 -2.1003 -2.1003 -1.9995 -1.9995 -1.7281 -1.7281 -1.5438 -1.5438 -1.3802 -1.3802 -0.7914 -0.7914 -0.6450 -0.6450 -0.2269 -0.2269 0.1243 0.1243 4.7092 4.7092 4.8588 4.8588 6.3353 6.3353 6.5612 6.5612 6.7136 6.7136 6.7936 6.7936 k = 0.3800 0.2195 0.5754 ( 9897 PWs) bands (ev): -16.6899 -16.6899 -16.5919 -16.5919 -15.7082 -15.7082 -14.8759 -14.8759 -13.4173 -13.4173 -12.7887 -12.7887 -11.9913 -11.9913 -9.7636 -9.7636 -9.5274 -9.5274 -8.9213 -8.9213 -6.9689 -6.9689 -5.8732 -5.8732 -4.9645 -4.9645 -4.9588 -4.9588 -4.5987 -4.5987 -4.3360 -4.3360 -3.7217 -3.7217 -3.4300 -3.4300 -2.9811 -2.9811 -2.8697 -2.8697 -2.4331 -2.4331 -2.2716 -2.2716 -2.1977 -2.1977 -2.0914 -2.0914 -2.0105 -2.0105 -1.7266 -1.7266 -1.5407 -1.5407 -1.3779 -1.3779 -0.7918 -0.7918 -0.6512 -0.6512 -0.2426 -0.2426 0.1229 0.1229 4.7165 4.7165 4.8570 4.8570 6.3668 6.3668 6.5799 6.5799 6.7204 6.7204 6.8017 6.8017 k = 0.5000 0.2888-0.2349 ( 9864 PWs) bands (ev): -16.6882 -16.6882 -16.6152 -16.6152 -15.7050 -15.7050 -14.8434 -14.8434 -13.3909 -13.3909 -12.7949 -12.7949 -12.0098 -12.0098 -9.8143 -9.8143 -9.5023 -9.5023 -8.8742 -8.8742 -6.9560 -6.9560 -5.8810 -5.8810 -5.2131 -5.2131 -4.9102 -4.9102 -4.6625 -4.6625 -4.4760 -4.4760 -3.4856 -3.4856 -3.3998 -3.3998 -3.3849 -3.3849 -2.9131 -2.9131 -2.4392 -2.4392 -2.2340 -2.2340 -2.1608 -2.1608 -1.9877 -1.9877 -1.9038 -1.9038 -1.7717 -1.7717 -1.4644 -1.4644 -1.0210 -1.0210 -0.6380 -0.6380 -0.5049 -0.5049 -0.2287 -0.2287 0.0904 0.0904 4.2308 4.2308 4.4889 4.4889 6.3872 6.3872 6.7870 6.7870 6.8282 6.8282 7.1012 7.1012 k = 0.5109 0.2699-0.2349 ( 9858 PWs) bands (ev): -16.6883 -16.6883 -16.6151 -16.6151 -15.7049 -15.7049 -14.8433 -14.8433 -13.3910 -13.3910 -12.7951 -12.7951 -12.0098 -12.0098 -9.8143 -9.8143 -9.5025 -9.5025 -8.8742 -8.8742 -6.9554 -6.9554 -5.8808 -5.8808 -5.2125 -5.2125 -4.9105 -4.9105 -4.6625 -4.6625 -4.4757 -4.4757 -3.4881 -3.4881 -3.3979 -3.3979 -3.3844 -3.3844 -2.9142 -2.9142 -2.4389 -2.4389 -2.2364 -2.2364 -2.1596 -2.1596 -1.9874 -1.9874 -1.9033 -1.9033 -1.7718 -1.7718 -1.4647 -1.4647 -1.0209 -1.0209 -0.6380 -0.6380 -0.5049 -0.5049 -0.2291 -0.2291 0.0901 0.0901 4.2310 4.2310 4.4893 4.4893 6.3865 6.3865 6.7853 6.7853 6.8291 6.8291 7.1036 7.1036 k = 0.5218 0.2510-0.2349 ( 9870 PWs) bands (ev): -16.6886 -16.6886 -16.6149 -16.6149 -15.7048 -15.7048 -14.8430 -14.8430 -13.3911 -13.3911 -12.7955 -12.7955 -12.0100 -12.0100 -9.8141 -9.8141 -9.5031 -9.5031 -8.8742 -8.8742 -6.9535 -6.9535 -5.8802 -5.8802 -5.2105 -5.2105 -4.9114 -4.9114 -4.6628 -4.6628 -4.4749 -4.4749 -3.4950 -3.4950 -3.3929 -3.3929 -3.3829 -3.3829 -2.9173 -2.9173 -2.4380 -2.4380 -2.2435 -2.2435 -2.1564 -2.1564 -1.9863 -1.9863 -1.9017 -1.9017 -1.7720 -1.7720 -1.4657 -1.4657 -1.0208 -1.0208 -0.6380 -0.6380 -0.5049 -0.5049 -0.2302 -0.2302 0.0893 0.0893 4.2316 4.2316 4.4904 4.4904 6.3847 6.3847 6.7804 6.7804 6.8315 6.8315 7.1106 7.1106 k = 0.5327 0.2321-0.2349 ( 9864 PWs) bands (ev): -16.6891 -16.6891 -16.6145 -16.6145 -15.7047 -15.7047 -14.8426 -14.8426 -13.3913 -13.3913 -12.7963 -12.7963 -12.0101 -12.0101 -9.8138 -9.8138 -9.5041 -9.5041 -8.8742 -8.8742 -6.9505 -6.9505 -5.8791 -5.8791 -5.2072 -5.2072 -4.9128 -4.9128 -4.6631 -4.6631 -4.4735 -4.4735 -3.5050 -3.5050 -3.3865 -3.3865 -3.3799 -3.3799 -2.9223 -2.9223 -2.4367 -2.4367 -2.2540 -2.2540 -2.1522 -2.1522 -1.9846 -1.9846 -1.8991 -1.8991 -1.7724 -1.7724 -1.4672 -1.4672 -1.0205 -1.0205 -0.6381 -0.6381 -0.5051 -0.5051 -0.2320 -0.2320 0.0880 0.0880 4.2326 4.2326 4.4924 4.4924 6.3816 6.3816 6.7724 6.7724 6.8355 6.8355 7.1223 7.1223 k = 0.5437 0.2132-0.2349 ( 9862 PWs) bands (ev): -16.6898 -16.6898 -16.6139 -16.6139 -15.7044 -15.7044 -14.8419 -14.8419 -13.3915 -13.3915 -12.7973 -12.7973 -12.0104 -12.0104 -9.8133 -9.8133 -9.5056 -9.5056 -8.8741 -8.8741 -6.9463 -6.9463 -5.8776 -5.8776 -5.2028 -5.2028 -4.9146 -4.9146 -4.6636 -4.6636 -4.4716 -4.4716 -3.5172 -3.5172 -3.3811 -3.3811 -3.3741 -3.3741 -2.9289 -2.9289 -2.4350 -2.4350 -2.2673 -2.2673 -2.1478 -2.1478 -1.9821 -1.9821 -1.8955 -1.8955 -1.7729 -1.7729 -1.4694 -1.4694 -1.0202 -1.0202 -0.6382 -0.6382 -0.5053 -0.5053 -0.2345 -0.2345 0.0862 0.0862 4.2339 4.2339 4.4951 4.4951 6.3774 6.3774 6.7614 6.7614 6.8409 6.8409 7.1382 7.1382 k = 0.5546 0.1943-0.2349 ( 9870 PWs) bands (ev): -16.6907 -16.6907 -16.6132 -16.6132 -15.7042 -15.7042 -14.8411 -14.8411 -13.3918 -13.3918 -12.7986 -12.7986 -12.0108 -12.0108 -9.8128 -9.8128 -9.5073 -9.5073 -8.8741 -8.8741 -6.9410 -6.9410 -5.8757 -5.8757 -5.1972 -5.1972 -4.9169 -4.9169 -4.6642 -4.6642 -4.4693 -4.4693 -3.5309 -3.5309 -3.3768 -3.3768 -3.3659 -3.3659 -2.9368 -2.9368 -2.4330 -2.4330 -2.2827 -2.2827 -2.1436 -2.1436 -1.9789 -1.9789 -1.8911 -1.8911 -1.7736 -1.7736 -1.4722 -1.4722 -1.0198 -1.0198 -0.6384 -0.6384 -0.5057 -0.5057 -0.2375 -0.2375 0.0840 0.0840 4.2356 4.2356 4.4984 4.4984 6.3724 6.3724 6.7476 6.7476 6.8476 6.8476 7.1582 7.1582 k = 0.5655 0.1754-0.2349 ( 9874 PWs) bands (ev): -16.6918 -16.6918 -16.6124 -16.6124 -15.7038 -15.7038 -14.8401 -14.8401 -13.3922 -13.3922 -12.8001 -12.8001 -12.0112 -12.0112 -9.8122 -9.8122 -9.5094 -9.5094 -8.8741 -8.8741 -6.9347 -6.9347 -5.8733 -5.8733 -5.1907 -5.1907 -4.9195 -4.9195 -4.6650 -4.6650 -4.4666 -4.4666 -3.5456 -3.5456 -3.3723 -3.3723 -3.3571 -3.3571 -2.9456 -2.9456 -2.4310 -2.4310 -2.2997 -2.2997 -2.1399 -2.1399 -1.9751 -1.9751 -1.8859 -1.8859 -1.7744 -1.7744 -1.4756 -1.4756 -1.0193 -1.0193 -0.6386 -0.6386 -0.5063 -0.5063 -0.2409 -0.2409 0.0814 0.0814 4.2376 4.2376 4.5024 4.5024 6.3666 6.3666 6.7311 6.7311 6.8554 6.8554 7.1820 7.1820 k = 0.5764 0.1565-0.2349 ( 9880 PWs) bands (ev): -16.6931 -16.6931 -16.6114 -16.6114 -15.7034 -15.7034 -14.8390 -14.8390 -13.3926 -13.3926 -12.8019 -12.8019 -12.0117 -12.0117 -9.8115 -9.8115 -9.5118 -9.5118 -8.8742 -8.8742 -6.9276 -6.9276 -5.8705 -5.8705 -5.1834 -5.1834 -4.9222 -4.9222 -4.6660 -4.6660 -4.4635 -4.4635 -3.5610 -3.5610 -3.3674 -3.3674 -3.3484 -3.3484 -2.9549 -2.9549 -2.4290 -2.4290 -2.3182 -2.3182 -2.1370 -2.1370 -1.9708 -1.9708 -1.8798 -1.8798 -1.7752 -1.7752 -1.4796 -1.4796 -1.0189 -1.0189 -0.6389 -0.6389 -0.5074 -0.5074 -0.2447 -0.2447 0.0784 0.0784 4.2398 4.2398 4.5069 4.5069 6.3603 6.3603 6.7122 6.7122 6.8644 6.8644 7.2090 7.2090 k = 0.5873 0.1376-0.2349 ( 9880 PWs) bands (ev): -16.6945 -16.6945 -16.6103 -16.6103 -15.7030 -15.7030 -14.8376 -14.8376 -13.3931 -13.3931 -12.8038 -12.8038 -12.0123 -12.0123 -9.8108 -9.8108 -9.5144 -9.5144 -8.8743 -8.8743 -6.9196 -6.9196 -5.8672 -5.8672 -5.1754 -5.1754 -4.9250 -4.9250 -4.6672 -4.6672 -4.4601 -4.4601 -3.5769 -3.5769 -3.3620 -3.3620 -3.3399 -3.3399 -2.9644 -2.9644 -2.4272 -2.4272 -2.3379 -2.3379 -2.1348 -2.1348 -1.9661 -1.9661 -1.8731 -1.8731 -1.7760 -1.7760 -1.4840 -1.4840 -1.0184 -1.0184 -0.6393 -0.6393 -0.5088 -0.5088 -0.2485 -0.2485 0.0752 0.0752 4.2422 4.2422 4.5119 4.5119 6.3535 6.3535 6.6910 6.6910 6.8743 6.8743 7.2386 7.2386 k = 0.5982 0.1188-0.2349 ( 9880 PWs) bands (ev): -16.6962 -16.6962 -16.6090 -16.6090 -15.7025 -15.7025 -14.8362 -14.8362 -13.3936 -13.3936 -12.8059 -12.8059 -12.0129 -12.0129 -9.8102 -9.8102 -9.5171 -9.5171 -8.8744 -8.8744 -6.9110 -6.9110 -5.8635 -5.8635 -5.1671 -5.1671 -4.9276 -4.9276 -4.6686 -4.6686 -4.4564 -4.4564 -3.5931 -3.5931 -3.3561 -3.3561 -3.3319 -3.3319 -2.9737 -2.9737 -2.4257 -2.4257 -2.3585 -2.3585 -2.1333 -2.1333 -1.9611 -1.9611 -1.8655 -1.8655 -1.7768 -1.7768 -1.4890 -1.4890 -1.0181 -1.0181 -0.6397 -0.6397 -0.5109 -0.5109 -0.2522 -0.2522 0.0718 0.0718 4.2447 4.2447 4.5173 4.5173 6.3466 6.3466 6.6677 6.6677 6.8850 6.8850 7.2701 7.2701 k = 0.6091 0.0999-0.2349 ( 9888 PWs) bands (ev): -16.6980 -16.6980 -16.6077 -16.6077 -15.7020 -15.7020 -14.8345 -14.8345 -13.3942 -13.3942 -12.8081 -12.8081 -12.0137 -12.0137 -9.8095 -9.8095 -9.5201 -9.5201 -8.8746 -8.8746 -6.9019 -6.9019 -5.8593 -5.8593 -5.1586 -5.1586 -4.9299 -4.9299 -4.6701 -4.6701 -4.4526 -4.4526 -3.6094 -3.6094 -3.3498 -3.3498 -3.3243 -3.3243 -2.9825 -2.9825 -2.4244 -2.4244 -2.3798 -2.3798 -2.1327 -2.1327 -1.9560 -1.9560 -1.8572 -1.8572 -1.7775 -1.7775 -1.4945 -1.4945 -1.0179 -1.0179 -0.6403 -0.6403 -0.5137 -0.5137 -0.2557 -0.2557 0.0682 0.0682 4.2474 4.2474 4.5230 4.5230 6.3397 6.3397 6.6425 6.6425 6.8965 6.8965 7.3024 7.3024 k = 0.6200 0.0810-0.2349 ( 9890 PWs) bands (ev): -16.6999 -16.6999 -16.6062 -16.6062 -15.7014 -15.7014 -14.8328 -14.8328 -13.3948 -13.3948 -12.8103 -12.8103 -12.0145 -12.0145 -9.8090 -9.8090 -9.5231 -9.5231 -8.8748 -8.8748 -6.8924 -6.8924 -5.8548 -5.8548 -5.1502 -5.1502 -4.9319 -4.9319 -4.6718 -4.6718 -4.4486 -4.4486 -3.6256 -3.6256 -3.3432 -3.3432 -3.3174 -3.3174 -2.9904 -2.9904 -2.4235 -2.4235 -2.4015 -2.4015 -2.1328 -2.1328 -1.9511 -1.9511 -1.8480 -1.8480 -1.7782 -1.7782 -1.5005 -1.5005 -1.0179 -1.0179 -0.6410 -0.6410 -0.5172 -0.5172 -0.2586 -0.2586 0.0645 0.0645 4.2500 4.2500 4.5288 4.5288 6.3330 6.3330 6.6156 6.6156 6.9088 6.9088 7.3342 7.3342 k = 0.6310 0.0621-0.2349 ( 9888 PWs) bands (ev): -16.7020 -16.7020 -16.6045 -16.6045 -15.7009 -15.7009 -14.8309 -14.8309 -13.3954 -13.3954 -12.8126 -12.8126 -12.0154 -12.0154 -9.8085 -9.8085 -9.5261 -9.5261 -8.8752 -8.8752 -6.8828 -6.8828 -5.8497 -5.8497 -5.1421 -5.1421 -4.9332 -4.9332 -4.6737 -4.6737 -4.4446 -4.4446 -3.6414 -3.6414 -3.3365 -3.3365 -3.3109 -3.3109 -2.9974 -2.9974 -2.4256 -2.4256 -2.4208 -2.4208 -2.1337 -2.1337 -1.9465 -1.9465 -1.8380 -1.8380 -1.7786 -1.7786 -1.5068 -1.5068 -1.0182 -1.0182 -0.6418 -0.6418 -0.5216 -0.5216 -0.2609 -0.2609 0.0607 0.0607 4.2527 4.2527 4.5348 4.5348 6.3265 6.3265 6.5873 6.5873 6.9217 6.9217 7.3639 7.3639 k = 0.6419 0.0432-0.2349 ( 9882 PWs) bands (ev): -16.7042 -16.7042 -16.6028 -16.6028 -15.7003 -15.7003 -14.8289 -14.8289 -13.3961 -13.3961 -12.8149 -12.8149 -12.0163 -12.0163 -9.8083 -9.8083 -9.5292 -9.5292 -8.8756 -8.8756 -6.8731 -6.8731 -5.8443 -5.8443 -5.1346 -5.1346 -4.9338 -4.9338 -4.6757 -4.6757 -4.4405 -4.4405 -3.6567 -3.6567 -3.3298 -3.3298 -3.3050 -3.3050 -3.0033 -3.0033 -2.4459 -2.4459 -2.4221 -2.4221 -2.1353 -2.1353 -1.9424 -1.9424 -1.8271 -1.8271 -1.7789 -1.7789 -1.5136 -1.5136 -1.0188 -1.0188 -0.6429 -0.6429 -0.5268 -0.5268 -0.2624 -0.2624 0.0568 0.0568 4.2553 4.2553 4.5408 4.5408 6.3206 6.3206 6.5576 6.5576 6.9353 6.9353 7.3897 7.3897 k = 0.6528 0.0243-0.2349 ( 9886 PWs) bands (ev): -16.7066 -16.7066 -16.6010 -16.6010 -15.6997 -15.6997 -14.8268 -14.8268 -13.3967 -13.3967 -12.8171 -12.8171 -12.0173 -12.0173 -9.8081 -9.8081 -9.5321 -9.5321 -8.8762 -8.8762 -6.8637 -6.8637 -5.8386 -5.8386 -5.1278 -5.1278 -4.9336 -4.9336 -4.6778 -4.6778 -4.4366 -4.4366 -3.6712 -3.6712 -3.3231 -3.3231 -3.2996 -3.2996 -3.0080 -3.0080 -2.4672 -2.4672 -2.4221 -2.4221 -2.1375 -2.1375 -1.9390 -1.9390 -1.8154 -1.8154 -1.7790 -1.7790 -1.5207 -1.5207 -1.0199 -1.0199 -0.6443 -0.6443 -0.5328 -0.5328 -0.2629 -0.2629 0.0530 0.0530 4.2578 4.2578 4.5466 4.5466 6.3152 6.3152 6.5269 6.5269 6.9494 6.9494 7.4098 7.4098 k = 0.3472-0.6011 0.0000 ( 9886 PWs) bands (ev): -16.7066 -16.7066 -16.6010 -16.6010 -15.6997 -15.6997 -14.8268 -14.8268 -13.3967 -13.3967 -12.8171 -12.8171 -12.0173 -12.0173 -9.8081 -9.8081 -9.5321 -9.5321 -8.8762 -8.8762 -6.8637 -6.8637 -5.8386 -5.8386 -5.1278 -5.1278 -4.9336 -4.9336 -4.6778 -4.6778 -4.4366 -4.4366 -3.6712 -3.6712 -3.3231 -3.3231 -3.2996 -3.2996 -3.0080 -3.0080 -2.4672 -2.4672 -2.4221 -2.4221 -2.1375 -2.1375 -1.9390 -1.9390 -1.8154 -1.8154 -1.7790 -1.7790 -1.5207 -1.5207 -1.0199 -1.0199 -0.6443 -0.6443 -0.5328 -0.5328 -0.2629 -0.2629 0.0530 0.0530 4.2578 4.2578 4.5466 4.5466 6.3152 6.3152 6.5269 6.5269 6.9494 6.9494 7.4098 7.4098 k = 0.3364-0.5823 0.0000 ( 9890 PWs) bands (ev): -16.7091 -16.7091 -16.5991 -16.5991 -15.6992 -15.6992 -14.8245 -14.8245 -13.3974 -13.3974 -12.8192 -12.8192 -12.0184 -12.0184 -9.8082 -9.8082 -9.5350 -9.5350 -8.8768 -8.8768 -6.8546 -6.8546 -5.8325 -5.8325 -5.1221 -5.1221 -4.9325 -4.9325 -4.6799 -4.6799 -4.4328 -4.4328 -3.6846 -3.6846 -3.3168 -3.3168 -3.2946 -3.2946 -3.0115 -3.0115 -2.4877 -2.4877 -2.4224 -2.4224 -2.1403 -2.1403 -1.9362 -1.9362 -1.8031 -1.8031 -1.7786 -1.7786 -1.5280 -1.5280 -1.0213 -1.0213 -0.6460 -0.6460 -0.5393 -0.5393 -0.2625 -0.2625 0.0492 0.0492 4.2601 4.2601 4.5523 4.5523 6.3105 6.3105 6.4954 6.4954 6.9640 6.9640 7.4173 7.4173 k = 0.3255-0.5636 0.0000 ( 9896 PWs) bands (ev): -16.7117 -16.7117 -16.5971 -16.5971 -15.6986 -15.6986 -14.8222 -14.8222 -13.3982 -13.3982 -12.8211 -12.8211 -12.0195 -12.0195 -9.8086 -9.8086 -9.5377 -9.5377 -8.8776 -8.8776 -6.8461 -6.8461 -5.8261 -5.8261 -5.1174 -5.1174 -4.9305 -4.9305 -4.6819 -4.6819 -4.4292 -4.4292 -3.6968 -3.6968 -3.3110 -3.3110 -3.2900 -3.2900 -3.0138 -3.0138 -2.5071 -2.5071 -2.4230 -2.4230 -2.1437 -2.1437 -1.9341 -1.9341 -1.7909 -1.7909 -1.7771 -1.7771 -1.5356 -1.5356 -1.0234 -1.0234 -0.6483 -0.6483 -0.5462 -0.5462 -0.2612 -0.2612 0.0454 0.0454 4.2622 4.2622 4.5577 4.5577 6.3066 6.3066 6.4632 6.4632 6.9792 6.9792 7.3977 7.3977 k = 0.3147-0.5448 0.0000 ( 9889 PWs) bands (ev): -16.7144 -16.7144 -16.5951 -16.5951 -15.6980 -15.6980 -14.8199 -14.8199 -13.3989 -13.3989 -12.8229 -12.8229 -12.0207 -12.0207 -9.8091 -9.8091 -9.5401 -9.5401 -8.8785 -8.8785 -6.8383 -6.8383 -5.8195 -5.8195 -5.1137 -5.1137 -4.9277 -4.9277 -4.6838 -4.6838 -4.4260 -4.4260 -3.7075 -3.7075 -3.3058 -3.3058 -3.2856 -3.2856 -3.0150 -3.0150 -2.5251 -2.5251 -2.4238 -2.4238 -2.1476 -2.1476 -1.9328 -1.9328 -1.7823 -1.7823 -1.7712 -1.7712 -1.5434 -1.5434 -1.0260 -1.0260 -0.6513 -0.6513 -0.5532 -0.5532 -0.2589 -0.2589 0.0417 0.0417 4.2640 4.2640 4.5628 4.5628 6.3036 6.3036 6.4304 6.4304 6.9949 6.9949 7.3698 7.3698 k = 0.3038-0.5260 0.0000 ( 9893 PWs) bands (ev): -16.7172 -16.7172 -16.5929 -16.5929 -15.6975 -15.6975 -14.8174 -14.8174 -13.3997 -13.3997 -12.8244 -12.8244 -12.0219 -12.0219 -9.8100 -9.8100 -9.5424 -9.5424 -8.8796 -8.8796 -6.8312 -6.8312 -5.8127 -5.8127 -5.1111 -5.1111 -4.9243 -4.9243 -4.6855 -4.6855 -4.4231 -4.4231 -3.7167 -3.7167 -3.3014 -3.3014 -3.2813 -3.2813 -3.0151 -3.0151 -2.5412 -2.5412 -2.4249 -2.4249 -2.1519 -2.1519 -1.9321 -1.9321 -1.7794 -1.7794 -1.7586 -1.7586 -1.5512 -1.5512 -1.0292 -1.0292 -0.6552 -0.6552 -0.5599 -0.5599 -0.2559 -0.2559 0.0382 0.0382 4.2656 4.2656 4.5675 4.5675 6.3015 6.3015 6.3972 6.3972 7.0109 7.0109 7.3381 7.3381 k = 0.2930-0.5072 0.0000 ( 9905 PWs) bands (ev): -16.7200 -16.7200 -16.5908 -16.5908 -15.6970 -15.6970 -14.8149 -14.8149 -13.4004 -13.4004 -12.8257 -12.8257 -12.0232 -12.0232 -9.8112 -9.8112 -9.5444 -9.5444 -8.8808 -8.8808 -6.8252 -6.8252 -5.8059 -5.8059 -5.1094 -5.1094 -4.9203 -4.9203 -4.6867 -4.6867 -4.4208 -4.4208 -3.7242 -3.7242 -3.2980 -3.2980 -3.2771 -3.2771 -3.0144 -3.0144 -2.5553 -2.5553 -2.4262 -2.4262 -2.1568 -2.1568 -1.9321 -1.9321 -1.7778 -1.7778 -1.7441 -1.7441 -1.5592 -1.5592 -1.0332 -1.0332 -0.6602 -0.6602 -0.5659 -0.5659 -0.2521 -0.2521 0.0347 0.0347 4.2669 4.2669 4.5717 4.5717 6.3004 6.3004 6.3638 6.3638 7.0272 7.0272 7.3035 7.3035 k = 0.2821-0.4884 0.0000 ( 9917 PWs) bands (ev): -16.7230 -16.7230 -16.5886 -16.5886 -15.6965 -15.6965 -14.8124 -14.8124 -13.4012 -13.4012 -12.8268 -12.8268 -12.0245 -12.0245 -9.8127 -9.8127 -9.5461 -9.5461 -8.8821 -8.8821 -6.8202 -6.8202 -5.7990 -5.7990 -5.1084 -5.1084 -4.9161 -4.9161 -4.6876 -4.6876 -4.4190 -4.4190 -3.7298 -3.7298 -3.2957 -3.2957 -3.2728 -3.2728 -3.0128 -3.0128 -2.5670 -2.5670 -2.4278 -2.4278 -2.1619 -2.1619 -1.9327 -1.9327 -1.7761 -1.7761 -1.7289 -1.7289 -1.5670 -1.5670 -1.0378 -1.0378 -0.6665 -0.6665 -0.5710 -0.5710 -0.2479 -0.2479 0.0315 0.0315 4.2679 4.2679 4.5753 4.5753 6.3004 6.3004 6.3303 6.3303 7.0433 7.0433 7.2663 7.2663 k = 0.2713-0.4696 0.0000 ( 9919 PWs) bands (ev): -16.7259 -16.7259 -16.5863 -16.5863 -15.6961 -15.6961 -14.8098 -14.8098 -13.4020 -13.4020 -12.8275 -12.8275 -12.0259 -12.0259 -9.8145 -9.8145 -9.5475 -9.5475 -8.8835 -8.8835 -6.8163 -6.8163 -5.7921 -5.7921 -5.1081 -5.1081 -4.9119 -4.9119 -4.6878 -4.6878 -4.4179 -4.4179 -3.7335 -3.7335 -3.2945 -3.2945 -3.2683 -3.2683 -3.0105 -3.0105 -2.5761 -2.5761 -2.4297 -2.4297 -2.1675 -2.1675 -1.9339 -1.9339 -1.7743 -1.7743 -1.7134 -1.7134 -1.5747 -1.5747 -1.0431 -1.0431 -0.6741 -0.6741 -0.5750 -0.5750 -0.2433 -0.2433 0.0286 0.0286 4.2686 4.2686 4.5784 4.5784 6.2967 6.2967 6.3015 6.3015 7.0586 7.0586 7.2276 7.2276 k = 0.2604-0.4508 0.0000 ( 9923 PWs) bands (ev): -16.7289 -16.7289 -16.5841 -16.5841 -15.6957 -15.6957 -14.8072 -14.8072 -13.4029 -13.4029 -12.8279 -12.8279 -12.0272 -12.0272 -9.8167 -9.8167 -9.5485 -9.5485 -8.8851 -8.8851 -6.8137 -6.8137 -5.7854 -5.7854 -5.1083 -5.1083 -4.9077 -4.9077 -4.6874 -4.6874 -4.4175 -4.4175 -3.7352 -3.7352 -3.2947 -3.2947 -3.2634 -3.2634 -3.0076 -3.0076 -2.5825 -2.5825 -2.4319 -2.4319 -2.1733 -2.1733 -1.9355 -1.9355 -1.7721 -1.7721 -1.6977 -1.6977 -1.5821 -1.5821 -1.0492 -1.0492 -0.6828 -0.6828 -0.5778 -0.5778 -0.2384 -0.2384 0.0260 0.0260 4.2689 4.2689 4.5808 4.5808 6.2635 6.2635 6.3036 6.3036 7.0711 7.0711 7.1894 7.1894 k = 0.2496-0.4321 0.0000 ( 9925 PWs) bands (ev): -16.7319 -16.7319 -16.5818 -16.5818 -15.6953 -15.6953 -14.8046 -14.8046 -13.4037 -13.4037 -12.8280 -12.8280 -12.0286 -12.0286 -9.8192 -9.8192 -9.5492 -9.5492 -8.8868 -8.8868 -6.8123 -6.8123 -5.7790 -5.7790 -5.1088 -5.1088 -4.9037 -4.9037 -4.6862 -4.6862 -4.4180 -4.4180 -3.7349 -3.7349 -3.2961 -3.2961 -3.2582 -3.2582 -3.0042 -3.0042 -2.5863 -2.5863 -2.4344 -2.4344 -2.1793 -2.1793 -1.9375 -1.9375 -1.7697 -1.7697 -1.6821 -1.6821 -1.5891 -1.5891 -1.0559 -1.0559 -0.6926 -0.6926 -0.5795 -0.5795 -0.2336 -0.2336 0.0239 0.0239 4.2690 4.2690 4.5826 4.5826 6.2306 6.2306 6.3067 6.3067 7.0743 7.0743 7.1585 7.1585 k = 0.2387-0.4133 0.0000 ( 9921 PWs) bands (ev): -16.7350 -16.7350 -16.5796 -16.5796 -15.6950 -15.6950 -14.8021 -14.8021 -13.4046 -13.4046 -12.8277 -12.8277 -12.0301 -12.0301 -9.8220 -9.8220 -9.5496 -9.5496 -8.8886 -8.8886 -6.8121 -6.8121 -5.7728 -5.7728 -5.1095 -5.1095 -4.9001 -4.9001 -4.6842 -4.6842 -4.4194 -4.4194 -3.7328 -3.7328 -3.2987 -3.2987 -3.2525 -3.2525 -3.0003 -3.0003 -2.5875 -2.5875 -2.4374 -2.4374 -2.1855 -2.1855 -1.9399 -1.9399 -1.7670 -1.7670 -1.6665 -1.6665 -1.5956 -1.5956 -1.0633 -1.0633 -0.7031 -0.7031 -0.5802 -0.5802 -0.2289 -0.2289 0.0223 0.0223 4.2688 4.2688 4.5837 4.5837 6.1982 6.1982 6.3110 6.3110 7.0551 7.0551 7.1481 7.1481 k = 0.2279-0.3945 0.0000 ( 9923 PWs) bands (ev): -16.7380 -16.7380 -16.5773 -16.5773 -15.6948 -15.6948 -14.7995 -14.7995 -13.4055 -13.4055 -12.8271 -12.8271 -12.0315 -12.0315 -9.8251 -9.8251 -9.5496 -9.5496 -8.8905 -8.8905 -6.8131 -6.8131 -5.7670 -5.7670 -5.1104 -5.1104 -4.8970 -4.8970 -4.6814 -4.6814 -4.4217 -4.4217 -3.7287 -3.7287 -3.3023 -3.3023 -3.2464 -3.2464 -2.9959 -2.9959 -2.5862 -2.5862 -2.4408 -2.4408 -2.1919 -2.1919 -1.9426 -1.9426 -1.7640 -1.7640 -1.6512 -1.6512 -1.6014 -1.6014 -1.0714 -1.0714 -0.7142 -0.7142 -0.5802 -0.5802 -0.2246 -0.2246 0.0212 0.0212 4.2683 4.2683 4.5841 4.5841 6.1663 6.1663 6.3162 6.3162 7.0166 7.0166 7.1552 7.1552 k = 0.2170-0.3757 0.0000 ( 9901 PWs) bands (ev): -16.7410 -16.7410 -16.5751 -16.5751 -15.6945 -15.6945 -14.7970 -14.7970 -13.4064 -13.4064 -12.8261 -12.8261 -12.0329 -12.0329 -9.8285 -9.8285 -9.5493 -9.5493 -8.8925 -8.8925 -6.8154 -6.8154 -5.7616 -5.7616 -5.1114 -5.1114 -4.8944 -4.8944 -4.6778 -4.6778 -4.4250 -4.4250 -3.7228 -3.7228 -3.3068 -3.3068 -3.2397 -3.2397 -2.9912 -2.9912 -2.5827 -2.5827 -2.4446 -2.4446 -2.1983 -2.1983 -1.9456 -1.9456 -1.7607 -1.7607 -1.6365 -1.6365 -1.6059 -1.6059 -1.0801 -1.0801 -0.7256 -0.7256 -0.5795 -0.5795 -0.2208 -0.2208 0.0209 0.0209 4.2675 4.2675 4.5838 4.5838 6.1352 6.1352 6.3224 6.3224 6.9709 6.9709 7.1681 7.1681 k = 0.2062-0.3569 0.0000 ( 9903 PWs) bands (ev): -16.7439 -16.7439 -16.5729 -16.5729 -15.6943 -15.6943 -14.7945 -14.7945 -13.4073 -13.4073 -12.8248 -12.8248 -12.0343 -12.0343 -9.8322 -9.8322 -9.5487 -9.5487 -8.8946 -8.8946 -6.8187 -6.8187 -5.7566 -5.7566 -5.1123 -5.1123 -4.8924 -4.8924 -4.6734 -4.6734 -4.4291 -4.4291 -3.7153 -3.7153 -3.3120 -3.3120 -3.2324 -3.2324 -2.9860 -2.9860 -2.5773 -2.5773 -2.4490 -2.4490 -2.2048 -2.2048 -1.9487 -1.9487 -1.7572 -1.7572 -1.6243 -1.6243 -1.6075 -1.6075 -1.0893 -1.0893 -0.7372 -0.7372 -0.5783 -0.5783 -0.2177 -0.2177 0.0214 0.0214 4.2665 4.2665 4.5829 4.5829 6.1050 6.1050 6.3296 6.3296 6.9225 6.9225 7.1823 7.1823 k = 0.1953-0.3381 0.0000 ( 9889 PWs) bands (ev): -16.7468 -16.7468 -16.5707 -16.5707 -15.6942 -15.6942 -14.7920 -14.7920 -13.4082 -13.4082 -12.8232 -12.8232 -12.0357 -12.0357 -9.8361 -9.8361 -9.5478 -9.5478 -8.8968 -8.8968 -6.8230 -6.8230 -5.7521 -5.7521 -5.1132 -5.1132 -4.8909 -4.8909 -4.6682 -4.6682 -4.4341 -4.4341 -3.7063 -3.7063 -3.3177 -3.3177 -3.2247 -3.2247 -2.9803 -2.9803 -2.5703 -2.5703 -2.4541 -2.4541 -2.2114 -2.2114 -1.9521 -1.9521 -1.7535 -1.7535 -1.6201 -1.6201 -1.6004 -1.6004 -1.0991 -1.0991 -0.7487 -0.7487 -0.5767 -0.5767 -0.2153 -0.2153 0.0227 0.0227 4.2653 4.2653 4.5813 4.5813 6.0757 6.0757 6.3375 6.3375 6.8731 6.8731 7.1962 7.1962 k = 0.1845-0.3194 0.0000 ( 9893 PWs) bands (ev): -16.7497 -16.7497 -16.5686 -16.5686 -15.6941 -15.6941 -14.7897 -14.7897 -13.4092 -13.4092 -12.8213 -12.8213 -12.0371 -12.0371 -9.8403 -9.8403 -9.5466 -9.5466 -8.8990 -8.8990 -6.8282 -6.8282 -5.7481 -5.7481 -5.1140 -5.1140 -4.8901 -4.8901 -4.6625 -4.6625 -4.4399 -4.4399 -3.6960 -3.6960 -3.3237 -3.3237 -3.2165 -3.2165 -2.9741 -2.9741 -2.5620 -2.5620 -2.4598 -2.4598 -2.2178 -2.2178 -1.9555 -1.9555 -1.7496 -1.7496 -1.6211 -1.6211 -1.5876 -1.5876 -1.1092 -1.1092 -0.7601 -0.7601 -0.5748 -0.5748 -0.2139 -0.2139 0.0248 0.0248 4.2639 4.2639 4.5791 4.5791 6.0474 6.0474 6.3462 6.3462 6.8237 6.8237 7.2090 7.2090 k = 0.1736-0.3006 0.0000 ( 9881 PWs) bands (ev): -16.7524 -16.7524 -16.5665 -16.5665 -15.6940 -15.6940 -14.7874 -14.7874 -13.4101 -13.4101 -12.8191 -12.8191 -12.0384 -12.0384 -9.8446 -9.8446 -9.5451 -9.5451 -8.9013 -8.9013 -6.8341 -6.8341 -5.7445 -5.7445 -5.1147 -5.1147 -4.8897 -4.8897 -4.6562 -4.6562 -4.4463 -4.4463 -3.6846 -3.6846 -3.3298 -3.3298 -3.2078 -3.2078 -2.9673 -2.9673 -2.5529 -2.5529 -2.4662 -2.4662 -2.2242 -2.2242 -1.9590 -1.9590 -1.7456 -1.7456 -1.6223 -1.6223 -1.5739 -1.5739 -1.1198 -1.1198 -0.7711 -0.7711 -0.5727 -0.5727 -0.2133 -0.2133 0.0279 0.0279 4.2623 4.2623 4.5763 4.5763 6.0203 6.0203 6.3555 6.3555 6.7747 6.7747 7.2203 7.2203 k = 0.1628-0.2818 0.0000 ( 9887 PWs) bands (ev): -16.7551 -16.7551 -16.5646 -16.5646 -15.6940 -15.6940 -14.7852 -14.7852 -13.4111 -13.4111 -12.8168 -12.8168 -12.0397 -12.0397 -9.8490 -9.8490 -9.5435 -9.5435 -8.9036 -8.9036 -6.8407 -6.8407 -5.7414 -5.7414 -5.1153 -5.1153 -4.8899 -4.8899 -4.6495 -4.6495 -4.4533 -4.4533 -3.6723 -3.6723 -3.3359 -3.3359 -3.1988 -3.1988 -2.9598 -2.9598 -2.5432 -2.5432 -2.4735 -2.4735 -2.2305 -2.2305 -1.9625 -1.9625 -1.7416 -1.7416 -1.6228 -1.6228 -1.5602 -1.5602 -1.1307 -1.1307 -0.7819 -0.7819 -0.5704 -0.5704 -0.2137 -0.2137 0.0317 0.0317 4.2607 4.2607 4.5730 4.5730 5.9944 5.9944 6.3654 6.3654 6.7267 6.7267 7.2296 7.2296 k = 0.1519-0.2630 0.0000 ( 9889 PWs) bands (ev): -16.7577 -16.7577 -16.5627 -16.5627 -15.6940 -15.6940 -14.7830 -14.7830 -13.4120 -13.4120 -12.8142 -12.8142 -12.0410 -12.0410 -9.8535 -9.8535 -9.5417 -9.5417 -8.9059 -8.9059 -6.8477 -6.8477 -5.7386 -5.7386 -5.1158 -5.1158 -4.8906 -4.8906 -4.6425 -4.6425 -4.4608 -4.4608 -3.6594 -3.6594 -3.3418 -3.3418 -3.1896 -3.1896 -2.9514 -2.9514 -2.5332 -2.5332 -2.4817 -2.4817 -2.2366 -2.2366 -1.9660 -1.9660 -1.7375 -1.7375 -1.6224 -1.6224 -1.5468 -1.5468 -1.1418 -1.1418 -0.7921 -0.7921 -0.5680 -0.5680 -0.2150 -0.2150 0.0362 0.0362 4.2589 4.2589 4.5693 4.5693 5.9698 5.9698 6.3756 6.3756 6.6801 6.6801 7.2366 7.2366 k = 0.1411-0.2442 0.0000 ( 9903 PWs) bands (ev): -16.7601 -16.7601 -16.5609 -16.5609 -15.6940 -15.6940 -14.7810 -14.7810 -13.4130 -13.4130 -12.8115 -12.8115 -12.0422 -12.0422 -9.8581 -9.8581 -9.5397 -9.5397 -8.9082 -8.9082 -6.8551 -6.8551 -5.7363 -5.7363 -5.1162 -5.1162 -4.8918 -4.8918 -4.6354 -4.6354 -4.4684 -4.4684 -3.6461 -3.6461 -3.3476 -3.3476 -3.1802 -3.1802 -2.9420 -2.9420 -2.5232 -2.5232 -2.4908 -2.4908 -2.2425 -2.2425 -1.9695 -1.9695 -1.7334 -1.7334 -1.6211 -1.6211 -1.5337 -1.5337 -1.1531 -1.1531 -0.8019 -0.8019 -0.5655 -0.5655 -0.2171 -0.2171 0.0413 0.0413 4.2571 4.2571 4.5653 4.5653 5.9467 5.9467 6.3861 6.3861 6.6353 6.6353 7.2411 7.2411 k = 0.1302-0.2254 0.0000 ( 9901 PWs) bands (ev): -16.7625 -16.7625 -16.5592 -16.5592 -15.6941 -15.6941 -14.7791 -14.7791 -13.4139 -13.4139 -12.8087 -12.8087 -12.0433 -12.0433 -9.8626 -9.8626 -9.5376 -9.5376 -8.9104 -8.9104 -6.8626 -6.8626 -5.7343 -5.7343 -5.1165 -5.1165 -4.8933 -4.8933 -4.6282 -4.6282 -4.4762 -4.4762 -3.6328 -3.6328 -3.3530 -3.3530 -3.1710 -3.1710 -2.9315 -2.9315 -2.5135 -2.5135 -2.5009 -2.5009 -2.2482 -2.2482 -1.9729 -1.9729 -1.7294 -1.7294 -1.6189 -1.6189 -1.5211 -1.5211 -1.1645 -1.1645 -0.8110 -0.8110 -0.5630 -0.5630 -0.2198 -0.2198 0.0468 0.0468 4.2553 4.2553 4.5609 4.5609 5.9249 5.9249 6.3968 6.3968 6.5925 6.5925 7.2430 7.2430 k = 0.1194-0.2066 0.0000 ( 9893 PWs) bands (ev): -16.7646 -16.7646 -16.5576 -16.5576 -15.6942 -15.6942 -14.7774 -14.7774 -13.4148 -13.4148 -12.8059 -12.8059 -12.0444 -12.0444 -9.8670 -9.8670 -9.5355 -9.5355 -8.9126 -8.9126 -6.8701 -6.8701 -5.7326 -5.7326 -5.1166 -5.1166 -4.8950 -4.8950 -4.6212 -4.6212 -4.4839 -4.4839 -3.6196 -3.6196 -3.3580 -3.3580 -3.1621 -3.1621 -2.9196 -2.9196 -2.5122 -2.5122 -2.5042 -2.5042 -2.2536 -2.2536 -1.9762 -1.9762 -1.7256 -1.7256 -1.6160 -1.6160 -1.5088 -1.5088 -1.1758 -1.1758 -0.8195 -0.8195 -0.5605 -0.5605 -0.2231 -0.2231 0.0527 0.0527 4.2535 4.2535 4.5564 4.5564 5.9048 5.9048 6.4074 6.4074 6.5522 6.5522 7.2423 7.2423 k = 0.1085-0.1879 0.0000 ( 9893 PWs) bands (ev): -16.7667 -16.7667 -16.5561 -16.5561 -15.6943 -15.6943 -14.7757 -14.7757 -13.4156 -13.4156 -12.8031 -12.8031 -12.0454 -12.0454 -9.8713 -9.8713 -9.5334 -9.5334 -8.9146 -8.9146 -6.8775 -6.8775 -5.7312 -5.7312 -5.1167 -5.1167 -4.8971 -4.8971 -4.6145 -4.6145 -4.4915 -4.4915 -3.6067 -3.6067 -3.3627 -3.3627 -3.1535 -3.1535 -2.9063 -2.9063 -2.5245 -2.5245 -2.4955 -2.4955 -2.2587 -2.2587 -1.9793 -1.9793 -1.7219 -1.7219 -1.6124 -1.6124 -1.4970 -1.4970 -1.1871 -1.1871 -0.8274 -0.8274 -0.5581 -0.5581 -0.2269 -0.2269 0.0587 0.0587 4.2518 4.2518 4.5518 4.5518 5.8862 5.8862 6.4179 6.4179 6.5145 6.5145 7.2392 7.2392 k = 0.0977-0.1691 0.0000 ( 9887 PWs) bands (ev): -16.7685 -16.7685 -16.5547 -16.5547 -15.6944 -15.6944 -14.7742 -14.7742 -13.4164 -13.4164 -12.8004 -12.8004 -12.0463 -12.0463 -9.8754 -9.8754 -9.5312 -9.5312 -8.9166 -8.9166 -6.8847 -6.8847 -5.7300 -5.7300 -5.1167 -5.1167 -4.8993 -4.8993 -4.6081 -4.6081 -4.4986 -4.4986 -3.5945 -3.5945 -3.3670 -3.3670 -3.1456 -3.1456 -2.8915 -2.8915 -2.5380 -2.5380 -2.4874 -2.4874 -2.2635 -2.2635 -1.9823 -1.9823 -1.7184 -1.7184 -1.6085 -1.6085 -1.4857 -1.4857 -1.1982 -1.1982 -0.8345 -0.8345 -0.5558 -0.5558 -0.2308 -0.2308 0.0646 0.0646 4.2501 4.2501 4.5472 4.5472 5.8692 5.8692 6.4279 6.4279 6.4797 6.4797 7.2340 7.2340 k = 0.0868-0.1503 0.0000 ( 9895 PWs) bands (ev): -16.7702 -16.7702 -16.5535 -16.5535 -15.6945 -15.6945 -14.7728 -14.7728 -13.4172 -13.4172 -12.7977 -12.7977 -12.0471 -12.0471 -9.8792 -9.8792 -9.5292 -9.5292 -8.9185 -8.9185 -6.8914 -6.8914 -5.7290 -5.7290 -5.1166 -5.1166 -4.9015 -4.9015 -4.6022 -4.6022 -4.5053 -4.5053 -3.5832 -3.5832 -3.3708 -3.3708 -3.1385 -3.1385 -2.8752 -2.8752 -2.5526 -2.5526 -2.4801 -2.4801 -2.2679 -2.2679 -1.9850 -1.9850 -1.7151 -1.7151 -1.6043 -1.6043 -1.4749 -1.4749 -1.2091 -1.2091 -0.8408 -0.8408 -0.5536 -0.5536 -0.2349 -0.2349 0.0703 0.0703 4.2485 4.2485 4.5428 4.5428 5.8539 5.8539 6.4368 6.4368 6.4489 6.4489 7.2270 7.2270 k = 0.0760-0.1315 0.0000 ( 9895 PWs) bands (ev): -16.7718 -16.7718 -16.5523 -16.5523 -15.6946 -15.6946 -14.7716 -14.7716 -13.4179 -13.4179 -12.7953 -12.7953 -12.0479 -12.0479 -9.8828 -9.8828 -9.5273 -9.5273 -8.9202 -8.9202 -6.8976 -6.8976 -5.7282 -5.7282 -5.1165 -5.1165 -4.9037 -4.9037 -4.5968 -4.5968 -4.5114 -4.5114 -3.5728 -3.5728 -3.3742 -3.3742 -3.1321 -3.1321 -2.8574 -2.8574 -2.5684 -2.5684 -2.4737 -2.4737 -2.2719 -2.2719 -1.9875 -1.9875 -1.7121 -1.7121 -1.6000 -1.6000 -1.4647 -1.4647 -1.2194 -1.2194 -0.8464 -0.8464 -0.5515 -0.5515 -0.2390 -0.2390 0.0758 0.0758 4.2470 4.2470 4.5386 4.5386 5.8403 5.8403 6.4189 6.4189 6.4473 6.4473 7.2190 7.2190 k = 0.0651-0.1127 0.0000 ( 9891 PWs) bands (ev): -16.7731 -16.7731 -16.5514 -16.5514 -15.6947 -15.6947 -14.7705 -14.7705 -13.4185 -13.4185 -12.7931 -12.7931 -12.0485 -12.0485 -9.8860 -9.8860 -9.5256 -9.5256 -8.9217 -8.9217 -6.9033 -6.9033 -5.7276 -5.7276 -5.1164 -5.1164 -4.9059 -4.9059 -4.5920 -4.5920 -4.5169 -4.5169 -3.5635 -3.5635 -3.3771 -3.3771 -3.1267 -3.1267 -2.8383 -2.8383 -2.5853 -2.5853 -2.4680 -2.4680 -2.2755 -2.2755 -1.9897 -1.9897 -1.7094 -1.7094 -1.5959 -1.5959 -1.4552 -1.4552 -1.2292 -1.2292 -0.8512 -0.8512 -0.5496 -0.5496 -0.2429 -0.2429 0.0808 0.0808 4.2457 4.2457 4.5347 4.5347 5.8285 5.8285 6.3941 6.3941 6.4553 6.4553 7.2103 7.2103 k = 0.0543-0.0939 0.0000 ( 9891 PWs) bands (ev): -16.7742 -16.7742 -16.5505 -16.5505 -15.6947 -15.6947 -14.7696 -14.7696 -13.4190 -13.4190 -12.7911 -12.7911 -12.0491 -12.0491 -9.8887 -9.8887 -9.5240 -9.5240 -8.9230 -8.9230 -6.9082 -6.9082 -5.7271 -5.7271 -5.1163 -5.1163 -4.9079 -4.9079 -4.5879 -4.5879 -4.5216 -4.5216 -3.5555 -3.5555 -3.3796 -3.3796 -3.1222 -3.1222 -2.8180 -2.8180 -2.6034 -2.6034 -2.4633 -2.4633 -2.2786 -2.2786 -1.9916 -1.9916 -1.7070 -1.7070 -1.5922 -1.5922 -1.4465 -1.4465 -1.2382 -1.2382 -0.8552 -0.8552 -0.5480 -0.5480 -0.2464 -0.2464 0.0852 0.0852 4.2446 4.2446 4.5312 4.5312 5.8184 5.8184 6.3728 6.3728 6.4625 6.4625 7.2017 7.2017 k = 0.0434-0.0751 0.0000 ( 9881 PWs) bands (ev): -16.7752 -16.7752 -16.5499 -16.5499 -15.6948 -15.6948 -14.7689 -14.7689 -13.4195 -13.4195 -12.7894 -12.7894 -12.0495 -12.0495 -9.8911 -9.8911 -9.5227 -9.5227 -8.9241 -8.9241 -6.9123 -6.9123 -5.7267 -5.7267 -5.1161 -5.1161 -4.9096 -4.9096 -4.5845 -4.5845 -4.5255 -4.5255 -3.5488 -3.5488 -3.3816 -3.3816 -3.1185 -3.1185 -2.7967 -2.7967 -2.6225 -2.6225 -2.4594 -2.4594 -2.2811 -2.2811 -1.9933 -1.9933 -1.7050 -1.7050 -1.5889 -1.5889 -1.4389 -1.4389 -1.2462 -1.2462 -0.8585 -0.8585 -0.5466 -0.5466 -0.2495 -0.2495 0.0889 0.0889 4.2436 4.2436 4.5283 4.5283 5.8102 5.8102 6.3552 6.3552 6.4687 6.4687 7.1937 7.1937 k = 0.0326-0.0564 0.0000 ( 9879 PWs) bands (ev): -16.7759 -16.7759 -16.5493 -16.5493 -15.6949 -15.6949 -14.7683 -14.7683 -13.4198 -13.4198 -12.7881 -12.7881 -12.0499 -12.0499 -9.8929 -9.8929 -9.5217 -9.5217 -8.9250 -8.9250 -6.9156 -6.9156 -5.7264 -5.7264 -5.1160 -5.1160 -4.9110 -4.9110 -4.5819 -4.5819 -4.5285 -4.5285 -3.5435 -3.5435 -3.3831 -3.3831 -3.1157 -3.1157 -2.7747 -2.7747 -2.6426 -2.6426 -2.4563 -2.4563 -2.2832 -2.2832 -1.9945 -1.9945 -1.7034 -1.7034 -1.5862 -1.5862 -1.4326 -1.4326 -1.2528 -1.2528 -0.8610 -0.8610 -0.5454 -0.5454 -0.2521 -0.2521 0.0919 0.0919 4.2429 4.2429 4.5259 4.5259 5.8037 5.8037 6.3414 6.3414 6.4736 6.4736 7.1869 7.1869 k = 0.0217-0.0376 0.0000 ( 9881 PWs) bands (ev): -16.7764 -16.7764 -16.5489 -16.5489 -15.6949 -15.6949 -14.7679 -14.7679 -13.4201 -13.4201 -12.7871 -12.7871 -12.0502 -12.0502 -9.8943 -9.8943 -9.5209 -9.5209 -8.9256 -8.9256 -6.9180 -6.9180 -5.7262 -5.7262 -5.1159 -5.1159 -4.9120 -4.9120 -4.5800 -4.5800 -4.5307 -4.5307 -3.5397 -3.5397 -3.3843 -3.3843 -3.1137 -3.1137 -2.7524 -2.7524 -2.6635 -2.6635 -2.4542 -2.4542 -2.2847 -2.2847 -1.9955 -1.9955 -1.7023 -1.7023 -1.5842 -1.5842 -1.4277 -1.4277 -1.2579 -1.2579 -0.8628 -0.8628 -0.5446 -0.5446 -0.2539 -0.2539 0.0941 0.0941 4.2423 4.2423 4.5241 4.5241 5.7991 5.7991 6.3315 6.3315 6.4772 6.4772 7.1817 7.1817 k = 0.0109-0.0188 0.0000 ( 9877 PWs) bands (ev): -16.7768 -16.7768 -16.5487 -16.5487 -15.6949 -15.6949 -14.7676 -14.7676 -13.4202 -13.4202 -12.7865 -12.7865 -12.0503 -12.0503 -9.8951 -9.8951 -9.5204 -9.5204 -8.9260 -8.9260 -6.9194 -6.9194 -5.7261 -5.7261 -5.1159 -5.1159 -4.9127 -4.9127 -4.5789 -4.5789 -4.5320 -4.5320 -3.5374 -3.5374 -3.3849 -3.3849 -3.1126 -3.1126 -2.7298 -2.7298 -2.6851 -2.6851 -2.4529 -2.4529 -2.2856 -2.2856 -1.9960 -1.9960 -1.7015 -1.7015 -1.5830 -1.5830 -1.4247 -1.4247 -1.2611 -1.2611 -0.8639 -0.8639 -0.5441 -0.5441 -0.2551 -0.2551 0.0954 0.0954 4.2420 4.2420 4.5231 4.5231 5.7964 5.7964 6.3255 6.3255 6.4794 6.4794 7.1784 7.1784 k = 0.0000 0.0000 0.0000 ( 9873 PWs) bands (ev): -16.7769 -16.7769 -16.5486 -16.5486 -15.6950 -15.6950 -14.7675 -14.7675 -13.4203 -13.4203 -12.7863 -12.7863 -12.0504 -12.0504 -9.8953 -9.8953 -9.5203 -9.5203 -8.9261 -8.9261 -6.9199 -6.9199 -5.7261 -5.7261 -5.1159 -5.1159 -4.9129 -4.9129 -4.5785 -4.5785 -4.5324 -4.5324 -3.5367 -3.5367 -3.3852 -3.3852 -3.1122 -3.1122 -2.7084 -2.7084 -2.7063 -2.7063 -2.4524 -2.4524 -2.2859 -2.2859 -1.9962 -1.9962 -1.7013 -1.7013 -1.5825 -1.5825 -1.4237 -1.4237 -1.2622 -1.2622 -0.8642 -0.8642 -0.5439 -0.5439 -0.2555 -0.2555 0.0959 0.0959 4.2419 4.2419 4.5227 4.5227 5.7954 5.7954 6.3235 6.3235 6.4801 6.4801 7.1773 7.1773 k = 0.0000 0.0000 0.0000 ( 9873 PWs) bands (ev): -16.7769 -16.7769 -16.5486 -16.5486 -15.6950 -15.6950 -14.7675 -14.7675 -13.4203 -13.4203 -12.7863 -12.7863 -12.0504 -12.0504 -9.8953 -9.8953 -9.5203 -9.5203 -8.9261 -8.9261 -6.9199 -6.9199 -5.7261 -5.7261 -5.1159 -5.1159 -4.9129 -4.9129 -4.5785 -4.5785 -4.5324 -4.5324 -3.5367 -3.5367 -3.3852 -3.3852 -3.1122 -3.1122 -2.7084 -2.7084 -2.7063 -2.7063 -2.4524 -2.4524 -2.2859 -2.2859 -1.9962 -1.9962 -1.7013 -1.7013 -1.5825 -1.5825 -1.4237 -1.4237 -1.2622 -1.2622 -0.8642 -0.8642 -0.5439 -0.5439 -0.2555 -0.2555 0.0959 0.0959 4.2419 4.2419 4.5227 4.5227 5.7954 5.7954 6.3235 6.3235 6.4801 6.4801 7.1773 7.1773 k = 0.0185-0.0107-0.0044 ( 9878 PWs) bands (ev): -16.7767 -16.7767 -16.5487 -16.5487 -15.6950 -15.6950 -14.7677 -14.7677 -13.4202 -13.4202 -12.7865 -12.7865 -12.0503 -12.0503 -9.8951 -9.8951 -9.5204 -9.5204 -8.9260 -8.9260 -6.9196 -6.9196 -5.7263 -5.7263 -5.1157 -5.1157 -4.9130 -4.9130 -4.5788 -4.5788 -4.5320 -4.5320 -3.5372 -3.5372 -3.3851 -3.3851 -3.1128 -3.1128 -2.7264 -2.7264 -2.6883 -2.6883 -2.4526 -2.4526 -2.2856 -2.2856 -1.9959 -1.9959 -1.7015 -1.7015 -1.5834 -1.5834 -1.4243 -1.4243 -1.2611 -1.2611 -0.8638 -0.8638 -0.5441 -0.5441 -0.2551 -0.2551 0.0955 0.0955 4.2419 4.2419 4.5230 4.5230 5.7966 5.7966 6.3252 6.3252 6.4798 6.4798 7.1782 7.1782 k = 0.0370-0.0214-0.0087 ( 9879 PWs) bands (ev): -16.7763 -16.7763 -16.5490 -16.5490 -15.6950 -15.6950 -14.7681 -14.7681 -13.4200 -13.4200 -12.7870 -12.7870 -12.0501 -12.0501 -9.8943 -9.8943 -9.5207 -9.5207 -8.9256 -8.9256 -6.9186 -6.9186 -5.7269 -5.7269 -5.1154 -5.1154 -4.9133 -4.9133 -4.5797 -4.5797 -4.5307 -4.5307 -3.5387 -3.5387 -3.3849 -3.3849 -3.1144 -3.1144 -2.7454 -2.7454 -2.6695 -2.6695 -2.4532 -2.4532 -2.2849 -2.2849 -1.9951 -1.9951 -1.7021 -1.7021 -1.5857 -1.5857 -1.4260 -1.4260 -1.2579 -1.2579 -0.8625 -0.8625 -0.5447 -0.5447 -0.2540 -0.2540 0.0946 0.0946 4.2420 4.2420 4.5238 4.5238 5.7999 5.7999 6.3304 6.3304 6.4790 6.4790 7.1807 7.1807 k = 0.0556-0.0320-0.0131 ( 9878 PWs) bands (ev): -16.7757 -16.7757 -16.5494 -16.5494 -15.6950 -15.6950 -14.7687 -14.7687 -13.4197 -13.4197 -12.7877 -12.7877 -12.0497 -12.0497 -9.8930 -9.8930 -9.5212 -9.5212 -8.9249 -8.9249 -6.9170 -6.9170 -5.7280 -5.7280 -5.1148 -5.1148 -4.9137 -4.9137 -4.5813 -4.5813 -4.5285 -4.5285 -3.5413 -3.5413 -3.3846 -3.3846 -3.1172 -3.1172 -2.7641 -2.7641 -2.6510 -2.6510 -2.4542 -2.4542 -2.2838 -2.2838 -1.9938 -1.9938 -1.7030 -1.7030 -1.5897 -1.5897 -1.4288 -1.4288 -1.2528 -1.2528 -0.8604 -0.8604 -0.5457 -0.5457 -0.2522 -0.2522 0.0930 0.0930 4.2422 4.2422 4.5251 4.5251 5.8055 5.8055 6.3389 6.3389 6.4776 6.4776 7.1848 7.1848 k = 0.0741-0.0427-0.0174 ( 9886 PWs) bands (ev): -16.7748 -16.7748 -16.5501 -16.5501 -15.6950 -15.6950 -14.7695 -14.7695 -13.4192 -13.4192 -12.7887 -12.7887 -12.0492 -12.0492 -9.8912 -9.8912 -9.5218 -9.5218 -8.9240 -8.9240 -6.9147 -6.9147 -5.7295 -5.7295 -5.1139 -5.1139 -4.9144 -4.9144 -4.5835 -4.5835 -4.5254 -4.5254 -3.5449 -3.5449 -3.3842 -3.3842 -3.1212 -3.1212 -2.7825 -2.7825 -2.6331 -2.6331 -2.4554 -2.4554 -2.2822 -2.2822 -1.9920 -1.9920 -1.7042 -1.7042 -1.5950 -1.5950 -1.4324 -1.4324 -1.2460 -1.2460 -0.8574 -0.8574 -0.5469 -0.5469 -0.2498 -0.2498 0.0908 0.0908 4.2423 4.2423 4.5270 4.5270 5.8133 5.8133 6.3508 6.3508 6.4757 6.4757 7.1903 7.1903 k = 0.0926-0.0534-0.0218 ( 9887 PWs) bands (ev): -16.7737 -16.7737 -16.5508 -16.5508 -15.6950 -15.6950 -14.7706 -14.7706 -13.4187 -13.4187 -12.7901 -12.7901 -12.0486 -12.0486 -9.8889 -9.8889 -9.5227 -9.5227 -8.9228 -8.9228 -6.9118 -6.9118 -5.7313 -5.7313 -5.1128 -5.1128 -4.9153 -4.9153 -4.5864 -4.5864 -4.5216 -4.5216 -3.5495 -3.5495 -3.3835 -3.3835 -3.1261 -3.1261 -2.8002 -2.8002 -2.6158 -2.6158 -2.4568 -2.4568 -2.2803 -2.2803 -1.9898 -1.9898 -1.7058 -1.7058 -1.6017 -1.6017 -1.4367 -1.4367 -1.2380 -1.2380 -0.8536 -0.8536 -0.5482 -0.5482 -0.2469 -0.2469 0.0880 0.0880 4.2426 4.2426 4.5292 4.5292 5.8232 5.8232 6.3659 6.3659 6.4734 6.4734 7.1969 7.1969 k = 0.1111-0.0641-0.0261 ( 9893 PWs) bands (ev): -16.7723 -16.7723 -16.5518 -16.5518 -15.6950 -15.6950 -14.7719 -14.7719 -13.4180 -13.4180 -12.7916 -12.7916 -12.0478 -12.0478 -9.8862 -9.8862 -9.5237 -9.5237 -8.9214 -8.9214 -6.9084 -6.9084 -5.7334 -5.7334 -5.1115 -5.1115 -4.9164 -4.9164 -4.5900 -4.5900 -4.5169 -4.5169 -3.5550 -3.5550 -3.3825 -3.3825 -3.1321 -3.1321 -2.8173 -2.8173 -2.5995 -2.5995 -2.4581 -2.4581 -2.2781 -2.2781 -1.9871 -1.9871 -1.7076 -1.7076 -1.6095 -1.6095 -1.4416 -1.4416 -1.2290 -1.2290 -0.8489 -0.8489 -0.5496 -0.5496 -0.2435 -0.2435 0.0846 0.0846 4.2429 4.2429 4.5319 4.5319 5.8351 5.8351 6.3840 6.3840 6.4708 6.4708 7.2044 7.2044 k = 0.1296-0.0748-0.0305 ( 9892 PWs) bands (ev): -16.7707 -16.7707 -16.5529 -16.5529 -15.6950 -15.6950 -14.7734 -14.7734 -13.4173 -13.4173 -12.7935 -12.7935 -12.0469 -12.0469 -9.8831 -9.8831 -9.5248 -9.5248 -8.9198 -8.9198 -6.9044 -6.9044 -5.7358 -5.7358 -5.1098 -5.1098 -4.9177 -4.9177 -4.5941 -4.5941 -4.5116 -4.5116 -3.5615 -3.5615 -3.3813 -3.3813 -3.1390 -3.1390 -2.8337 -2.8337 -2.5845 -2.5845 -2.4592 -2.4592 -2.2757 -2.2757 -1.9840 -1.9840 -1.7098 -1.7098 -1.6182 -1.6182 -1.4469 -1.4469 -1.2194 -1.2194 -0.8435 -0.8435 -0.5509 -0.5509 -0.2399 -0.2399 0.0806 0.0806 4.2432 4.2432 4.5349 4.5349 5.8490 5.8490 6.4046 6.4046 6.4684 6.4684 7.2123 7.2123 k = 0.1481-0.0855-0.0348 ( 9895 PWs) bands (ev): -16.7690 -16.7690 -16.5542 -16.5542 -15.6950 -15.6950 -14.7751 -14.7751 -13.4164 -13.4164 -12.7955 -12.7955 -12.0459 -12.0459 -9.8797 -9.8797 -9.5261 -9.5261 -8.9180 -8.9180 -6.8999 -6.8999 -5.7385 -5.7385 -5.1080 -5.1080 -4.9193 -4.9193 -4.5988 -4.5988 -4.5056 -4.5056 -3.5688 -3.5688 -3.3797 -3.3797 -3.1467 -3.1467 -2.8492 -2.8492 -2.5711 -2.5711 -2.4596 -2.4596 -2.2731 -2.2731 -1.9805 -1.9805 -1.7121 -1.7121 -1.6277 -1.6277 -1.4526 -1.4526 -1.2094 -1.2094 -0.8373 -0.8373 -0.5519 -0.5519 -0.2361 -0.2361 0.0761 0.0761 4.2436 4.2436 4.5381 4.5381 5.8647 5.8647 6.4263 6.4263 6.4674 6.4674 7.2204 7.2204 k = 0.1667-0.0961-0.0392 ( 9898 PWs) bands (ev): -16.7670 -16.7670 -16.5556 -16.5556 -15.6950 -15.6950 -14.7769 -14.7769 -13.4155 -13.4155 -12.7977 -12.7977 -12.0448 -12.0448 -9.8760 -9.8760 -9.5274 -9.5274 -8.9161 -8.9161 -6.8949 -6.8949 -5.7413 -5.7413 -5.1058 -5.1058 -4.9211 -4.9211 -4.6041 -4.6041 -4.4992 -4.4992 -3.5770 -3.5770 -3.3777 -3.3777 -3.1551 -3.1551 -2.8637 -2.8637 -2.5599 -2.5599 -2.4589 -2.4589 -2.2705 -2.2705 -1.9767 -1.9767 -1.7146 -1.7146 -1.6376 -1.6376 -1.4587 -1.4587 -1.1993 -1.1993 -0.8305 -0.8305 -0.5525 -0.5525 -0.2321 -0.2321 0.0711 0.0711 4.2440 4.2440 4.5416 4.5416 5.8820 5.8820 6.4424 6.4424 6.4744 6.4744 7.2283 7.2283 k = 0.1852-0.1068-0.0435 ( 9905 PWs) bands (ev): -16.7648 -16.7648 -16.5571 -16.5571 -15.6951 -15.6951 -14.7789 -14.7789 -13.4145 -13.4145 -12.8002 -12.8002 -12.0435 -12.0435 -9.8721 -9.8721 -9.5289 -9.5289 -8.9140 -8.9140 -6.8896 -6.8896 -5.7443 -5.7443 -5.1034 -5.1034 -4.9232 -4.9232 -4.6097 -4.6097 -4.4925 -4.4925 -3.5859 -3.5859 -3.3753 -3.3753 -3.1640 -3.1640 -2.8774 -2.8774 -2.5515 -2.5515 -2.4564 -2.4564 -2.2679 -2.2679 -1.9726 -1.9726 -1.7173 -1.7173 -1.6477 -1.6477 -1.4652 -1.4652 -1.1892 -1.1892 -0.8231 -0.8231 -0.5526 -0.5526 -0.2281 -0.2281 0.0656 0.0656 4.2445 4.2445 4.5451 4.5451 5.9010 5.9010 6.4454 6.4454 6.4969 6.4969 7.2357 7.2357 k = 0.2037-0.1175-0.0479 ( 9903 PWs) bands (ev): -16.7625 -16.7625 -16.5588 -16.5588 -15.6951 -15.6951 -14.7809 -14.7809 -13.4135 -13.4135 -12.8027 -12.8027 -12.0421 -12.0421 -9.8681 -9.8681 -9.5304 -9.5304 -8.9118 -8.9118 -6.8839 -6.8839 -5.7473 -5.7473 -5.1008 -5.1008 -4.9255 -4.9255 -4.6158 -4.6158 -4.4855 -4.4855 -3.5954 -3.5954 -3.3724 -3.3724 -3.1731 -3.1731 -2.8901 -2.8901 -2.5465 -2.5465 -2.4517 -2.4517 -2.2654 -2.2654 -1.9684 -1.9684 -1.7202 -1.7202 -1.6577 -1.6577 -1.4721 -1.4721 -1.1794 -1.1794 -0.8152 -0.8152 -0.5520 -0.5520 -0.2242 -0.2242 0.0597 0.0597 4.2450 4.2450 4.5488 4.5488 5.9212 5.9212 6.4424 6.4424 6.5273 6.5273 7.2422 7.2422 k = 0.2222-0.1282-0.0522 ( 9900 PWs) bands (ev): -16.7601 -16.7601 -16.5606 -16.5606 -15.6951 -15.6951 -14.7830 -14.7830 -13.4124 -13.4124 -12.8053 -12.8053 -12.0407 -12.0407 -9.8639 -9.8639 -9.5319 -9.5319 -8.9096 -8.9096 -6.8779 -6.8779 -5.7503 -5.7503 -5.0979 -5.0979 -4.9281 -4.9281 -4.6221 -4.6221 -4.4784 -4.4784 -3.6055 -3.6055 -3.3690 -3.3690 -3.1823 -3.1823 -2.9019 -2.9019 -2.5449 -2.5449 -2.4447 -2.4447 -2.2630 -2.2630 -1.9639 -1.9639 -1.7232 -1.7232 -1.6674 -1.6674 -1.4793 -1.4793 -1.1700 -1.1700 -0.8071 -0.8071 -0.5506 -0.5506 -0.2205 -0.2205 0.0534 0.0534 4.2455 4.2455 4.5523 4.5523 5.9426 5.9426 6.4378 6.4378 6.5614 6.5614 7.2476 7.2476 k = 0.2407-0.1389-0.0566 ( 9889 PWs) bands (ev): -16.7576 -16.7576 -16.5624 -16.5624 -15.6951 -15.6951 -14.7852 -14.7852 -13.4113 -13.4113 -12.8081 -12.8081 -12.0392 -12.0392 -9.8597 -9.8597 -9.5334 -9.5334 -8.9073 -8.9073 -6.8718 -6.8718 -5.7533 -5.7533 -5.0948 -5.0948 -4.9309 -4.9309 -4.6286 -4.6286 -4.4713 -4.4713 -3.6160 -3.6160 -3.3651 -3.3651 -3.1913 -3.1913 -2.9129 -2.9129 -2.5463 -2.5463 -2.4359 -2.4359 -2.2608 -2.2608 -1.9594 -1.9594 -1.7264 -1.7264 -1.6765 -1.6765 -1.4870 -1.4870 -1.1610 -1.1610 -0.7988 -0.7988 -0.5484 -0.5484 -0.2168 -0.2168 0.0467 0.0467 4.2461 4.2461 4.5558 4.5558 5.9650 5.9650 6.4324 6.4324 6.5978 6.5978 7.2514 7.2514 k = 0.2593-0.1496-0.0609 ( 9886 PWs) bands (ev): -16.7550 -16.7550 -16.5643 -16.5643 -15.6952 -15.6952 -14.7873 -14.7873 -13.4102 -13.4102 -12.8108 -12.8108 -12.0377 -12.0377 -9.8556 -9.8556 -9.5349 -9.5349 -8.9050 -8.9050 -6.8655 -6.8655 -5.7563 -5.7563 -5.0915 -5.0915 -4.9340 -4.9340 -4.6353 -4.6353 -4.4643 -4.4643 -3.6268 -3.6268 -3.3607 -3.3607 -3.2001 -3.2001 -2.9230 -2.9230 -2.5502 -2.5502 -2.4259 -2.4259 -2.2589 -2.2589 -1.9548 -1.9548 -1.7296 -1.7296 -1.6847 -1.6847 -1.4950 -1.4950 -1.1526 -1.1526 -0.7907 -0.7907 -0.5453 -0.5453 -0.2134 -0.2134 0.0398 0.0398 4.2467 4.2467 4.5592 4.5592 5.9881 5.9881 6.4266 6.4266 6.6361 6.6361 7.2534 7.2534 k = 0.2778-0.1602-0.0653 ( 9884 PWs) bands (ev): -16.7524 -16.7524 -16.5663 -16.5663 -15.6952 -15.6952 -14.7895 -14.7895 -13.4091 -13.4091 -12.8136 -12.8136 -12.0361 -12.0361 -9.8515 -9.8515 -9.5364 -9.5364 -8.9028 -8.9028 -6.8591 -6.8591 -5.7591 -5.7591 -5.0880 -5.0880 -4.9373 -4.9373 -4.6420 -4.6420 -4.4576 -4.4576 -3.6378 -3.6378 -3.3558 -3.3558 -3.2084 -3.2084 -2.9322 -2.9322 -2.5560 -2.5560 -2.4151 -2.4151 -2.2572 -2.2572 -1.9502 -1.9502 -1.7329 -1.7329 -1.6920 -1.6920 -1.5033 -1.5033 -1.1449 -1.1449 -0.7828 -0.7828 -0.5412 -0.5412 -0.2102 -0.2102 0.0325 0.0325 4.2474 4.2474 4.5623 4.5623 6.0117 6.0117 6.4203 6.4203 6.6757 6.6757 7.2536 7.2536 k = 0.2963-0.1709-0.0696 ( 9889 PWs) bands (ev): -16.7498 -16.7498 -16.5682 -16.5682 -15.6952 -15.6952 -14.7916 -14.7916 -13.4080 -13.4080 -12.8163 -12.8163 -12.0345 -12.0345 -9.8476 -9.8476 -9.5378 -9.5378 -8.9005 -8.9005 -6.8529 -6.8529 -5.7618 -5.7618 -5.0844 -5.0844 -4.9408 -4.9408 -4.6486 -4.6486 -4.4511 -4.4511 -3.6487 -3.6487 -3.3506 -3.3506 -3.2162 -3.2162 -2.9407 -2.9407 -2.5633 -2.5633 -2.4041 -2.4041 -2.2560 -2.2560 -1.9457 -1.9457 -1.7363 -1.7363 -1.6981 -1.6981 -1.5119 -1.5119 -1.1377 -1.1377 -0.7754 -0.7754 -0.5363 -0.5363 -0.2072 -0.2072 0.0252 0.0252 4.2481 4.2481 4.5652 4.5652 6.0355 6.0355 6.4137 6.4137 6.7164 6.7164 7.2517 7.2517 k = 0.3148-0.1816-0.0740 ( 9886 PWs) bands (ev): -16.7471 -16.7471 -16.5702 -16.5702 -15.6952 -15.6952 -14.7936 -14.7936 -13.4070 -13.4070 -12.8189 -12.8189 -12.0330 -12.0330 -9.8438 -9.8438 -9.5391 -9.5391 -8.8984 -8.8984 -6.8467 -6.8467 -5.7644 -5.7644 -5.0806 -5.0806 -4.9444 -4.9444 -4.6551 -4.6551 -4.4451 -4.4451 -3.6594 -3.6594 -3.3450 -3.3450 -3.2234 -3.2234 -2.9483 -2.9483 -2.5715 -2.5715 -2.3932 -2.3932 -2.2551 -2.2551 -1.9413 -1.9413 -1.7394 -1.7394 -1.7031 -1.7031 -1.5206 -1.5206 -1.1312 -1.1312 -0.7686 -0.7686 -0.5305 -0.5305 -0.2044 -0.2044 0.0177 0.0177 4.2487 4.2487 4.5679 4.5679 6.0593 6.0593 6.4068 6.4068 6.7575 6.7575 7.2480 7.2480 k = 0.3333-0.1923-0.0783 ( 9889 PWs) bands (ev): -16.7446 -16.7446 -16.5721 -16.5721 -15.6952 -15.6952 -14.7955 -14.7955 -13.4060 -13.4060 -12.8215 -12.8215 -12.0315 -12.0315 -9.8403 -9.8403 -9.5404 -9.5404 -8.8964 -8.8964 -6.8408 -6.8408 -5.7667 -5.7667 -5.0768 -5.0768 -4.9481 -4.9481 -4.6613 -4.6613 -4.4394 -4.4394 -3.6698 -3.6698 -3.3392 -3.3392 -3.2298 -3.2298 -2.9550 -2.9550 -2.5804 -2.5804 -2.3826 -2.3826 -2.2546 -2.2546 -1.9371 -1.9371 -1.7424 -1.7424 -1.7070 -1.7070 -1.5295 -1.5295 -1.1254 -1.1254 -0.7624 -0.7624 -0.5242 -0.5242 -0.2018 -0.2018 0.0102 0.0102 4.2494 4.2494 4.5702 4.5702 6.0830 6.0830 6.3995 6.3995 6.7987 6.7987 7.2423 7.2423 k = 0.3519-0.2030-0.0827 ( 9887 PWs) bands (ev): -16.7422 -16.7422 -16.5740 -16.5740 -15.6952 -15.6952 -14.7973 -14.7973 -13.4051 -13.4051 -12.8238 -12.8238 -12.0300 -12.0300 -9.8370 -9.8370 -9.5415 -9.5415 -8.8945 -8.8945 -6.8352 -6.8352 -5.7688 -5.7688 -5.0729 -5.0729 -4.9519 -4.9519 -4.6671 -4.6671 -4.4343 -4.4343 -3.6796 -3.6796 -3.3333 -3.3333 -3.2355 -3.2355 -2.9610 -2.9610 -2.5897 -2.5897 -2.3725 -2.3725 -2.2545 -2.2545 -1.9332 -1.9332 -1.7450 -1.7450 -1.7099 -1.7099 -1.5384 -1.5384 -1.1202 -1.1202 -0.7570 -0.7570 -0.5174 -0.5174 -0.1994 -0.1994 0.0029 0.0029 4.2501 4.2501 4.5723 4.5723 6.1061 6.1061 6.3919 6.3919 6.8395 6.8395 7.2349 7.2349 k = 0.3704-0.2136-0.0870 ( 9890 PWs) bands (ev): -16.7399 -16.7399 -16.5757 -16.5757 -15.6953 -15.6953 -14.7989 -14.7989 -13.4043 -13.4043 -12.8260 -12.8260 -12.0287 -12.0287 -9.8341 -9.8341 -9.5426 -9.5426 -8.8928 -8.8928 -6.8300 -6.8300 -5.7707 -5.7707 -5.0691 -5.0691 -4.9557 -4.9557 -4.6726 -4.6726 -4.4297 -4.4297 -3.6887 -3.6887 -3.3274 -3.3274 -3.2406 -3.2406 -2.9661 -2.9661 -2.5991 -2.5991 -2.3630 -2.3630 -2.2548 -2.2548 -1.9295 -1.9295 -1.7473 -1.7473 -1.7118 -1.7118 -1.5471 -1.5471 -1.1157 -1.1157 -0.7523 -0.7523 -0.5104 -0.5104 -0.1971 -0.1971 -0.0042 -0.0042 4.2508 4.2508 4.5740 4.5740 6.1284 6.1284 6.3840 6.3840 6.8793 6.8793 7.2258 7.2258 k = 0.3889-0.2243-0.0914 ( 9897 PWs) bands (ev): -16.7378 -16.7378 -16.5774 -16.5774 -15.6953 -15.6953 -14.8004 -14.8004 -13.4035 -13.4035 -12.8280 -12.8280 -12.0275 -12.0275 -9.8315 -9.8315 -9.5435 -9.5435 -8.8912 -8.8912 -6.8254 -6.8254 -5.7724 -5.7724 -5.0655 -5.0655 -4.9594 -4.9594 -4.6775 -4.6775 -4.4257 -4.4257 -3.6969 -3.6969 -3.3218 -3.3218 -3.2450 -3.2450 -2.9703 -2.9703 -2.6081 -2.6081 -2.3543 -2.3543 -2.2554 -2.2554 -1.9263 -1.9263 -1.7492 -1.7492 -1.7128 -1.7128 -1.5554 -1.5554 -1.1118 -1.1118 -0.7484 -0.7484 -0.5036 -0.5036 -0.1950 -0.1950 -0.0110 -0.0110 4.2515 4.2515 4.5755 4.5755 6.1497 6.1497 6.3758 6.3758 6.9177 6.9177 7.2152 7.2152 k = 0.4074-0.2350-0.0957 ( 9896 PWs) bands (ev): -16.7360 -16.7360 -16.5788 -16.5788 -15.6953 -15.6953 -14.8016 -14.8016 -13.4029 -13.4029 -12.8297 -12.8297 -12.0264 -12.0264 -9.8293 -9.8293 -9.5442 -9.5442 -8.8899 -8.8899 -6.8213 -6.8213 -5.7738 -5.7738 -5.0620 -5.0620 -4.9628 -4.9628 -4.6818 -4.6818 -4.4223 -4.4223 -3.7041 -3.7041 -3.3166 -3.3166 -3.2487 -3.2487 -2.9738 -2.9738 -2.6166 -2.6166 -2.3465 -2.3465 -2.2563 -2.2563 -1.9235 -1.9235 -1.7507 -1.7507 -1.7131 -1.7131 -1.5632 -1.5632 -1.1085 -1.1085 -0.7451 -0.7451 -0.4971 -0.4971 -0.1932 -0.1932 -0.0171 -0.0171 4.2520 4.2520 4.5767 4.5767 6.1696 6.1696 6.3674 6.3674 6.9541 6.9541 7.2031 7.2031 k = 0.4259-0.2457-0.1001 ( 9889 PWs) bands (ev): -16.7344 -16.7344 -16.5800 -16.5800 -15.6953 -15.6953 -14.8027 -14.8027 -13.4023 -13.4023 -12.8311 -12.8311 -12.0255 -12.0255 -9.8274 -9.8274 -9.5449 -9.5449 -8.8887 -8.8887 -6.8178 -6.8178 -5.7750 -5.7750 -5.0589 -5.0589 -4.9659 -4.9659 -4.6854 -4.6854 -4.4195 -4.4195 -3.7102 -3.7102 -3.3119 -3.3119 -3.2518 -3.2518 -2.9765 -2.9765 -2.6241 -2.6241 -2.3397 -2.3397 -2.2574 -2.2574 -1.9211 -1.9211 -1.7518 -1.7518 -1.7128 -1.7128 -1.5702 -1.5702 -1.1058 -1.1058 -0.7426 -0.7426 -0.4914 -0.4914 -0.1915 -0.1915 -0.0225 -0.0225 4.2525 4.2525 4.5777 4.5777 6.1877 6.1877 6.3590 6.3590 6.9880 6.9880 7.1898 7.1898 k = 0.4444-0.2564-0.1044 ( 9889 PWs) bands (ev): -16.7332 -16.7332 -16.5810 -16.5810 -15.6953 -15.6953 -14.8035 -14.8035 -13.4019 -13.4019 -12.8323 -12.8323 -12.0248 -12.0248 -9.8259 -9.8259 -9.5454 -9.5454 -8.8878 -8.8878 -6.8150 -6.8150 -5.7759 -5.7759 -5.0563 -5.0563 -4.9686 -4.9686 -4.6883 -4.6883 -4.4173 -4.4173 -3.7151 -3.7151 -3.3079 -3.3079 -3.2543 -3.2543 -2.9785 -2.9785 -2.6304 -2.6304 -2.3341 -2.3341 -2.2585 -2.2585 -1.9192 -1.9192 -1.7527 -1.7527 -1.7122 -1.7122 -1.5761 -1.5761 -1.1038 -1.1038 -0.7406 -0.7406 -0.4866 -0.4866 -0.1901 -0.1901 -0.0270 -0.0270 4.2530 4.2530 4.5784 4.5784 6.2035 6.2035 6.3511 6.3511 7.0190 7.0190 7.1753 7.1753 k = 0.4630-0.2671-0.1088 ( 9887 PWs) bands (ev): -16.7322 -16.7322 -16.5818 -16.5818 -15.6953 -15.6953 -14.8041 -14.8041 -13.4016 -13.4016 -12.8331 -12.8331 -12.0243 -12.0243 -9.8249 -9.8249 -9.5457 -9.5457 -8.8872 -8.8872 -6.8130 -6.8130 -5.7765 -5.7765 -5.0543 -5.0543 -4.9706 -4.9706 -4.6904 -4.6904 -4.4158 -4.4158 -3.7186 -3.7186 -3.3049 -3.3049 -3.2562 -3.2562 -2.9799 -2.9799 -2.6350 -2.6350 -2.3299 -2.3299 -2.2595 -2.2595 -1.9179 -1.9179 -1.7534 -1.7534 -1.7115 -1.7115 -1.5806 -1.5806 -1.1023 -1.1023 -0.7393 -0.7393 -0.4830 -0.4830 -0.1891 -0.1891 -0.0303 -0.0303 4.2533 4.2533 4.5788 4.5788 6.2161 6.2161 6.3441 6.3441 7.0460 7.0460 7.1602 7.1602 k = 0.4815-0.2777-0.1131 ( 9884 PWs) bands (ev): -16.7317 -16.7317 -16.5822 -16.5822 -15.6953 -15.6953 -14.8045 -14.8045 -13.4014 -13.4014 -12.8336 -12.8336 -12.0240 -12.0240 -9.8243 -9.8243 -9.5459 -9.5459 -8.8868 -8.8868 -6.8118 -6.8118 -5.7769 -5.7769 -5.0530 -5.0530 -4.9719 -4.9719 -4.6917 -4.6917 -4.4148 -4.4148 -3.7207 -3.7207 -3.3030 -3.3030 -3.2573 -3.2573 -2.9807 -2.9807 -2.6380 -2.6380 -2.3273 -2.3273 -2.2601 -2.2601 -1.9170 -1.9170 -1.7537 -1.7537 -1.7109 -1.7109 -1.5834 -1.5834 -1.1014 -1.1014 -0.7384 -0.7384 -0.4808 -0.4808 -0.1884 -0.1884 -0.0324 -0.0324 4.2535 4.2535 4.5791 4.5791 6.2244 6.2244 6.3392 6.3392 7.0670 7.0670 7.1465 7.1465 k = 0.5000-0.2884-0.1175 ( 9882 PWs) bands (ev): -16.7315 -16.7315 -16.5823 -16.5823 -15.6953 -15.6953 -14.8046 -14.8046 -13.4013 -13.4013 -12.8338 -12.8338 -12.0239 -12.0239 -9.8240 -9.8240 -9.5460 -9.5460 -8.8867 -8.8867 -6.8114 -6.8114 -5.7770 -5.7770 -5.0526 -5.0526 -4.9723 -4.9723 -4.6922 -4.6922 -4.4145 -4.4145 -3.7214 -3.7214 -3.3024 -3.3024 -3.2577 -3.2577 -2.9810 -2.9810 -2.6389 -2.6389 -2.3265 -2.3265 -2.2604 -2.2604 -1.9168 -1.9168 -1.7539 -1.7539 -1.7107 -1.7107 -1.5844 -1.5844 -1.1011 -1.1011 -0.7382 -0.7382 -0.4800 -0.4800 -0.1882 -0.1882 -0.0331 -0.0331 4.2535 4.2535 4.5792 4.5792 6.2274 6.2274 6.3374 6.3374 7.0760 7.0760 7.1400 7.1400 k = 0.5000-0.2884 0.4579 ( 9868 PWs) bands (ev): -16.7091 -16.7091 -16.5700 -16.5700 -15.6942 -15.6942 -14.8869 -14.8869 -13.4200 -13.4200 -12.8259 -12.8259 -11.9811 -11.9811 -9.7338 -9.7338 -9.5664 -9.5664 -8.9340 -8.9340 -6.8141 -6.8141 -5.8336 -5.8336 -5.0588 -5.0588 -4.8114 -4.8114 -4.6635 -4.6635 -4.2387 -4.2387 -3.7431 -3.7431 -3.5087 -3.5087 -2.9112 -2.9112 -2.9111 -2.9111 -2.5375 -2.5375 -2.3420 -2.3420 -2.2188 -2.2188 -2.0884 -2.0884 -1.8284 -1.8284 -1.7682 -1.7682 -1.7135 -1.7135 -1.5078 -1.5078 -0.8196 -0.8196 -0.7005 -0.7005 -0.1792 -0.1792 0.0921 0.0921 4.9626 4.9626 4.9765 4.9765 6.2139 6.2139 6.3359 6.3359 6.5748 6.5748 6.7097 6.7097 k = 0.4853-0.2799 0.4445 ( 9880 PWs) bands (ev): -16.7092 -16.7092 -16.5699 -16.5699 -15.6942 -15.6942 -14.8867 -14.8867 -13.4200 -13.4200 -12.8258 -12.8258 -11.9813 -11.9813 -9.7341 -9.7341 -9.5663 -9.5663 -8.9340 -8.9340 -6.8143 -6.8143 -5.8334 -5.8334 -5.0590 -5.0590 -4.8114 -4.8114 -4.6633 -4.6633 -4.2393 -4.2393 -3.7429 -3.7429 -3.5089 -3.5089 -2.9120 -2.9120 -2.9104 -2.9104 -2.5371 -2.5371 -2.3420 -2.3420 -2.2184 -2.2184 -2.0891 -2.0891 -1.8293 -1.8293 -1.7679 -1.7679 -1.7120 -1.7120 -1.5070 -1.5070 -0.8197 -0.8197 -0.7003 -0.7003 -0.1792 -0.1792 0.0918 0.0918 4.9595 4.9595 4.9767 4.9767 6.2124 6.2124 6.3370 6.3370 6.5758 6.5758 6.7093 6.7093 k = 0.4706-0.2715 0.4310 ( 9877 PWs) bands (ev): -16.7097 -16.7097 -16.5697 -16.5697 -15.6942 -15.6942 -14.8859 -14.8859 -13.4200 -13.4200 -12.8256 -12.8256 -11.9817 -11.9817 -9.7351 -9.7351 -9.5661 -9.5661 -8.9339 -8.9339 -6.8150 -6.8150 -5.8329 -5.8329 -5.0595 -5.0595 -4.8114 -4.8114 -4.6626 -4.6626 -4.2411 -4.2411 -3.7422 -3.7422 -3.5097 -3.5097 -2.9130 -2.9130 -2.9097 -2.9097 -2.5358 -2.5358 -2.3417 -2.3417 -2.2173 -2.2173 -2.0908 -2.0908 -1.8319 -1.8319 -1.7670 -1.7670 -1.7075 -1.7075 -1.5045 -1.5045 -0.8199 -0.8199 -0.6996 -0.6996 -0.1791 -0.1791 0.0910 0.0910 4.9516 4.9516 4.9761 4.9761 6.2079 6.2079 6.3404 6.3404 6.5788 6.5788 6.7081 6.7081 k = 0.4559-0.2630 0.4175 ( 9871 PWs) bands (ev): -16.7105 -16.7105 -16.5694 -16.5694 -15.6942 -15.6942 -14.8846 -14.8846 -13.4200 -13.4200 -12.8251 -12.8251 -11.9824 -11.9824 -9.7368 -9.7368 -9.5657 -9.5657 -8.9338 -8.9338 -6.8162 -6.8162 -5.8321 -5.8321 -5.0602 -5.0602 -4.8115 -4.8115 -4.6616 -4.6616 -4.2440 -4.2440 -3.7411 -3.7411 -3.5110 -3.5110 -2.9142 -2.9142 -2.9091 -2.9091 -2.5338 -2.5338 -2.3413 -2.3413 -2.2157 -2.2157 -2.0935 -2.0935 -1.8359 -1.8359 -1.7654 -1.7654 -1.7003 -1.7003 -1.5004 -1.5004 -0.8203 -0.8203 -0.6986 -0.6986 -0.1789 -0.1789 0.0897 0.0897 4.9402 4.9402 4.9736 4.9736 6.2008 6.2008 6.3457 6.3457 6.5837 6.5837 6.7058 6.7058 k = 0.4412-0.2545 0.4041 ( 9871 PWs) bands (ev): -16.7116 -16.7116 -16.5690 -16.5690 -15.6943 -15.6943 -14.8828 -14.8828 -13.4200 -13.4200 -12.8246 -12.8246 -11.9834 -11.9834 -9.7391 -9.7391 -9.5652 -9.5652 -8.9336 -8.9336 -6.8178 -6.8178 -5.8309 -5.8309 -5.0613 -5.0613 -4.8117 -4.8117 -4.6601 -4.6601 -4.2481 -4.2481 -3.7395 -3.7395 -3.5126 -3.5126 -2.9156 -2.9156 -2.9084 -2.9084 -2.5312 -2.5312 -2.3408 -2.3408 -2.2138 -2.2138 -2.0966 -2.0966 -1.8411 -1.8411 -1.7632 -1.7632 -1.6910 -1.6910 -1.4947 -1.4947 -0.8209 -0.8209 -0.6971 -0.6971 -0.1787 -0.1787 0.0880 0.0880 4.9258 4.9258 4.9687 4.9687 6.1912 6.1912 6.3526 6.3526 6.5906 6.5906 6.7024 6.7024 k = 0.4265-0.2460 0.3906 ( 9864 PWs) bands (ev): -16.7130 -16.7130 -16.5685 -16.5685 -15.6944 -15.6944 -14.8805 -14.8805 -13.4200 -13.4200 -12.8238 -12.8238 -11.9847 -11.9847 -9.7420 -9.7420 -9.5645 -9.5645 -8.9334 -8.9334 -6.8198 -6.8198 -5.8293 -5.8293 -5.0627 -5.0627 -4.8120 -4.8120 -4.6583 -4.6583 -4.2533 -4.2533 -3.7373 -3.7373 -3.5146 -3.5146 -2.9172 -2.9172 -2.9077 -2.9077 -2.5281 -2.5281 -2.3400 -2.3400 -2.2122 -2.2122 -2.0994 -2.0994 -1.8471 -1.8471 -1.7604 -1.7604 -1.6800 -1.6800 -1.4875 -1.4875 -0.8217 -0.8217 -0.6952 -0.6952 -0.1786 -0.1786 0.0859 0.0859 4.9086 4.9086 4.9616 4.9616 6.1796 6.1796 6.3608 6.3608 6.5995 6.5995 6.6975 6.6975 k = 0.4118-0.2375 0.3771 ( 9867 PWs) bands (ev): -16.7147 -16.7147 -16.5679 -16.5679 -15.6944 -15.6944 -14.8777 -14.8777 -13.4200 -13.4200 -12.8229 -12.8229 -11.9863 -11.9863 -9.7456 -9.7456 -9.5636 -9.5636 -8.9331 -8.9331 -6.8223 -6.8223 -5.8275 -5.8275 -5.0644 -5.0644 -4.8124 -4.8124 -4.6561 -4.6561 -4.2597 -4.2597 -3.7344 -3.7344 -3.5167 -3.5167 -2.9192 -2.9192 -2.9069 -2.9069 -2.5247 -2.5247 -2.3392 -2.3392 -2.2116 -2.2116 -2.1011 -2.1011 -1.8537 -1.8537 -1.7571 -1.7571 -1.6676 -1.6676 -1.4788 -1.4788 -0.8226 -0.8226 -0.6929 -0.6929 -0.1785 -0.1785 0.0834 0.0834 4.8888 4.8888 4.9522 4.9522 6.1661 6.1661 6.3699 6.3699 6.6099 6.6099 6.6910 6.6910 k = 0.3971-0.2290 0.3636 ( 9875 PWs) bands (ev): -16.7166 -16.7166 -16.5673 -16.5673 -15.6945 -15.6945 -14.8746 -14.8746 -13.4201 -13.4201 -12.8219 -12.8219 -11.9881 -11.9881 -9.7498 -9.7498 -9.5625 -9.5625 -8.9328 -8.9328 -6.8252 -6.8252 -5.8253 -5.8253 -5.0663 -5.0663 -4.8131 -4.8131 -4.6535 -4.6535 -4.2671 -4.2671 -3.7308 -3.7308 -3.5190 -3.5190 -2.9215 -2.9215 -2.9060 -2.9060 -2.5211 -2.5211 -2.3382 -2.3382 -2.2125 -2.2125 -2.1008 -2.1008 -1.8607 -1.8607 -1.7534 -1.7534 -1.6542 -1.6542 -1.4686 -1.4686 -0.8236 -0.8236 -0.6903 -0.6903 -0.1787 -0.1787 0.0808 0.0808 4.8668 4.8668 4.9407 4.9407 6.1511 6.1511 6.3795 6.3795 6.6215 6.6215 6.6833 6.6833 k = 0.3824-0.2206 0.3502 ( 9877 PWs) bands (ev): -16.7188 -16.7188 -16.5665 -16.5665 -15.6946 -15.6946 -14.8710 -14.8710 -13.4201 -13.4201 -12.8208 -12.8208 -11.9901 -11.9901 -9.7545 -9.7545 -9.5613 -9.5613 -8.9325 -8.9325 -6.8284 -6.8284 -5.8228 -5.8228 -5.0684 -5.0684 -4.8140 -4.8140 -4.6507 -4.6507 -4.2756 -4.2756 -3.7264 -3.7264 -3.5213 -3.5213 -2.9242 -2.9242 -2.9049 -2.9049 -2.5175 -2.5175 -2.3372 -2.3372 -2.2157 -2.2157 -2.0979 -2.0979 -1.8679 -1.8679 -1.7492 -1.7492 -1.6402 -1.6402 -1.4570 -1.4570 -0.8248 -0.8248 -0.6873 -0.6873 -0.1790 -0.1790 0.0780 0.0780 4.8426 4.8426 4.9274 4.9274 6.1348 6.1348 6.3895 6.3895 6.6321 6.6321 6.6764 6.6764 k = 0.3676-0.2121 0.3367 ( 9879 PWs) bands (ev): -16.7212 -16.7212 -16.5657 -16.5657 -15.6947 -15.6947 -14.8670 -14.8670 -13.4201 -13.4201 -12.8195 -12.8195 -11.9924 -11.9924 -9.7597 -9.7597 -9.5600 -9.5600 -8.9322 -8.9322 -6.8319 -6.8319 -5.8200 -5.8200 -5.0708 -5.0708 -4.8152 -4.8152 -4.6475 -4.6475 -4.2851 -4.2851 -3.7210 -3.7210 -3.5236 -3.5236 -2.9274 -2.9274 -2.9035 -2.9035 -2.5140 -2.5140 -2.3362 -2.3362 -2.2212 -2.2212 -2.0919 -2.0919 -1.8751 -1.8751 -1.7446 -1.7446 -1.6257 -1.6257 -1.4442 -1.4442 -0.8261 -0.8261 -0.6840 -0.6840 -0.1797 -0.1797 0.0753 0.0753 4.8167 4.8167 4.9123 4.9123 6.1174 6.1174 6.3996 6.3996 6.6353 6.6353 6.6767 6.6767 k = 0.3529-0.2036 0.3232 ( 9878 PWs) bands (ev): -16.7238 -16.7238 -16.5648 -16.5648 -15.6948 -15.6948 -14.8627 -14.8627 -13.4201 -13.4201 -12.8181 -12.8181 -11.9949 -11.9949 -9.7655 -9.7655 -9.5585 -9.5585 -8.9318 -8.9318 -6.8358 -6.8358 -5.8168 -5.8168 -5.0733 -5.0733 -4.8168 -4.8168 -4.6441 -4.6441 -4.2955 -4.2955 -3.7147 -3.7147 -3.5256 -3.5256 -2.9310 -2.9310 -2.9019 -2.9019 -2.5108 -2.5108 -2.3356 -2.3356 -2.2287 -2.2287 -2.0832 -2.0832 -1.8822 -1.8822 -1.7396 -1.7396 -1.6112 -1.6112 -1.4303 -1.4303 -0.8275 -0.8275 -0.6805 -0.6805 -0.1807 -0.1807 0.0726 0.0726 4.7891 4.7891 4.8957 4.8957 6.0992 6.0992 6.4093 6.4093 6.6268 6.6268 6.6889 6.6889 k = 0.3382-0.1951 0.3098 ( 9875 PWs) bands (ev): -16.7265 -16.7265 -16.5639 -16.5639 -15.6949 -15.6949 -14.8580 -14.8580 -13.4201 -13.4201 -12.8166 -12.8166 -11.9975 -11.9975 -9.7716 -9.7716 -9.5568 -9.5568 -8.9314 -8.9314 -6.8399 -6.8399 -5.8134 -5.8134 -5.0759 -5.0759 -4.8188 -4.8188 -4.6406 -4.6406 -4.3067 -4.3067 -3.7074 -3.7074 -3.5275 -3.5275 -2.9352 -2.9352 -2.8999 -2.8999 -2.5080 -2.5080 -2.3354 -2.3354 -2.2377 -2.2377 -2.0721 -2.0721 -1.8890 -1.8890 -1.7342 -1.7342 -1.5969 -1.5969 -1.4154 -1.4154 -0.8289 -0.8289 -0.6768 -0.6768 -0.1822 -0.1822 0.0702 0.0702 4.7602 4.7602 4.8778 4.8778 6.0803 6.0803 6.4186 6.4186 6.6120 6.6120 6.7077 6.7077 k = 0.3235-0.1866 0.2963 ( 9878 PWs) bands (ev): -16.7293 -16.7293 -16.5630 -16.5630 -15.6950 -15.6950 -14.8531 -14.8531 -13.4202 -13.4202 -12.8150 -12.8150 -12.0003 -12.0003 -9.7781 -9.7781 -9.5551 -9.5551 -8.9310 -8.9310 -6.8442 -6.8442 -5.8096 -5.8096 -5.0787 -5.0787 -4.8211 -4.8211 -4.6368 -4.6368 -4.3187 -4.3187 -3.6989 -3.6989 -3.5290 -3.5290 -2.9400 -2.9400 -2.8975 -2.8975 -2.5056 -2.5056 -2.3362 -2.3362 -2.2474 -2.2474 -2.0592 -2.0592 -1.8954 -1.8954 -1.7283 -1.7283 -1.5829 -1.5829 -1.3997 -1.3997 -0.8303 -0.8303 -0.6728 -0.6728 -0.1842 -0.1842 0.0682 0.0682 4.7301 4.7301 4.8588 4.8588 6.0611 6.0611 6.4272 6.4272 6.5946 6.5946 6.7298 6.7298 k = 0.3088-0.1781 0.2828 ( 9879 PWs) bands (ev): -16.7323 -16.7323 -16.5620 -16.5620 -15.6950 -15.6950 -14.8481 -14.8481 -13.4202 -13.4202 -12.8133 -12.8133 -12.0032 -12.0032 -9.7850 -9.7850 -9.5532 -9.5532 -8.9306 -8.9306 -6.8488 -6.8488 -5.8056 -5.8056 -5.0815 -5.0815 -4.8239 -4.8239 -4.6329 -4.6329 -4.3312 -4.3312 -3.6893 -3.6893 -3.5302 -3.5302 -2.9453 -2.9453 -2.8947 -2.8947 -2.5036 -2.5036 -2.3382 -2.3382 -2.2569 -2.2569 -2.0450 -2.0450 -1.9011 -1.9011 -1.7219 -1.7219 -1.5693 -1.5693 -1.3835 -1.3835 -0.8316 -0.8316 -0.6687 -0.6687 -0.1867 -0.1867 0.0666 0.0666 4.6993 4.6993 4.8388 4.8388 6.0417 6.0417 6.4349 6.4349 6.5760 6.5760 6.7542 6.7542 k = 0.2941-0.1697 0.2694 ( 9877 PWs) bands (ev): -16.7353 -16.7353 -16.5610 -16.5610 -15.6951 -15.6951 -14.8428 -14.8428 -13.4202 -13.4202 -12.8116 -12.8116 -12.0063 -12.0063 -9.7921 -9.7921 -9.5512 -9.5512 -8.9303 -8.9303 -6.8534 -6.8534 -5.8014 -5.8014 -5.0844 -5.0844 -4.8272 -4.8272 -4.6290 -4.6290 -4.3444 -4.3444 -3.6787 -3.6787 -3.5311 -3.5311 -2.9511 -2.9511 -2.8915 -2.8915 -2.5023 -2.5023 -2.3421 -2.3421 -2.2655 -2.2655 -2.0301 -2.0301 -1.9058 -1.9058 -1.7150 -1.7150 -1.5564 -1.5564 -1.3670 -1.3670 -0.8329 -0.8329 -0.6644 -0.6644 -0.1898 -0.1898 0.0654 0.0654 4.6678 4.6678 4.8182 4.8182 6.0222 6.0222 6.4416 6.4416 6.5570 6.5570 6.7802 6.7802 k = 0.2794-0.1612 0.2559 ( 9876 PWs) bands (ev): -16.7384 -16.7384 -16.5600 -16.5600 -15.6952 -15.6952 -14.8374 -14.8374 -13.4202 -13.4202 -12.8098 -12.8098 -12.0094 -12.0094 -9.7994 -9.7994 -9.5491 -9.5491 -8.9299 -8.9299 -6.8582 -6.8582 -5.7969 -5.7969 -5.0873 -5.0873 -4.8309 -4.8309 -4.6250 -4.6250 -4.3579 -4.3579 -3.6670 -3.6670 -3.5315 -3.5315 -2.9575 -2.9575 -2.8877 -2.8877 -2.5015 -2.5015 -2.3483 -2.3483 -2.2724 -2.2724 -2.0154 -2.0154 -1.9091 -1.9091 -1.7077 -1.7077 -1.5442 -1.5442 -1.3506 -1.3506 -0.8341 -0.8341 -0.6598 -0.6598 -0.1933 -0.1933 0.0648 0.0648 4.6360 4.6360 4.7970 4.7970 6.0030 6.0030 6.4470 6.4470 6.5383 6.5383 6.8077 6.8077 k = 0.2647-0.1527 0.2424 ( 9880 PWs) bands (ev): -16.7416 -16.7416 -16.5591 -16.5591 -15.6952 -15.6952 -14.8319 -14.8319 -13.4202 -13.4202 -12.8080 -12.8080 -12.0125 -12.0125 -9.8068 -9.8068 -9.5470 -9.5470 -8.9295 -8.9295 -6.8631 -6.8631 -5.7922 -5.7922 -5.0902 -5.0902 -4.8350 -4.8350 -4.6210 -4.6210 -4.3716 -4.3716 -3.6543 -3.6543 -3.5315 -3.5315 -2.9645 -2.9645 -2.8835 -2.8835 -2.5014 -2.5014 -2.3570 -2.3570 -2.2773 -2.2773 -2.0018 -2.0018 -1.9101 -1.9101 -1.6999 -1.6999 -1.5326 -1.5326 -1.3346 -1.3346 -0.8352 -0.8352 -0.6551 -0.6551 -0.1973 -0.1973 0.0648 0.0648 4.6040 4.6040 4.7755 4.7755 5.9840 5.9840 6.4508 6.4508 6.5204 6.5204 6.8362 6.8362 k = 0.2500-0.1442 0.2290 ( 9889 PWs) bands (ev): -16.7447 -16.7447 -16.5581 -16.5581 -15.6953 -15.6953 -14.8264 -14.8264 -13.4202 -13.4202 -12.8062 -12.8062 -12.0157 -12.0157 -9.8143 -9.8143 -9.5448 -9.5448 -8.9291 -8.9291 -6.8679 -6.8679 -5.7874 -5.7874 -5.0930 -5.0930 -4.8395 -4.8395 -4.6170 -4.6170 -4.3855 -4.3855 -3.6409 -3.6409 -3.5310 -3.5310 -2.9721 -2.9721 -2.8788 -2.8788 -2.5021 -2.5021 -2.3676 -2.3676 -2.2804 -2.2804 -1.9907 -1.9907 -1.9078 -1.9078 -1.6916 -1.6916 -1.5218 -1.5218 -1.3193 -1.3193 -0.8363 -0.8363 -0.6500 -0.6500 -0.2016 -0.2016 0.0653 0.0653 4.5722 4.5722 4.7539 4.7539 5.9655 5.9655 6.4524 6.4524 6.5044 6.5044 6.8655 6.8655 k = 0.2353-0.1357 0.2155 ( 9891 PWs) bands (ev): -16.7478 -16.7478 -16.5572 -16.5572 -15.6953 -15.6953 -14.8209 -14.8209 -13.4203 -13.4203 -12.8044 -12.8044 -12.0189 -12.0189 -9.8218 -9.8218 -9.5426 -9.5426 -8.9288 -8.9288 -6.8728 -6.8728 -5.7824 -5.7824 -5.0957 -5.0957 -4.8444 -4.8444 -4.6131 -4.6131 -4.3994 -4.3994 -3.6268 -3.6268 -3.5299 -3.5299 -2.9801 -2.9801 -2.8735 -2.8735 -2.5037 -2.5037 -2.3795 -2.3795 -2.2822 -2.2822 -1.9830 -1.9830 -1.9012 -1.9012 -1.6831 -1.6831 -1.5117 -1.5117 -1.3050 -1.3050 -0.8374 -0.8374 -0.6445 -0.6445 -0.2062 -0.2062 0.0662 0.0662 4.5407 4.5407 4.7323 4.7323 5.9476 5.9476 6.4501 6.4501 6.4920 6.4920 6.8953 6.8953 k = 0.2206-0.1272 0.2020 ( 9895 PWs) bands (ev): -16.7508 -16.7508 -16.5562 -16.5562 -15.6953 -15.6953 -14.8155 -14.8155 -13.4203 -13.4203 -12.8025 -12.8025 -12.0221 -12.0221 -9.8292 -9.8292 -9.5404 -9.5404 -8.9285 -8.9285 -6.8776 -6.8776 -5.7774 -5.7774 -5.0984 -5.0984 -4.8496 -4.8496 -4.6092 -4.6092 -4.4131 -4.4131 -3.6124 -3.6124 -3.5280 -3.5280 -2.9887 -2.9887 -2.8676 -2.8676 -2.5066 -2.5066 -2.3919 -2.3919 -2.2831 -2.2831 -1.9791 -1.9791 -1.8902 -1.8902 -1.6742 -1.6742 -1.5024 -1.5024 -1.2919 -1.2919 -0.8385 -0.8385 -0.6386 -0.6386 -0.2110 -0.2110 0.0677 0.0677 4.5098 4.5098 4.7109 4.7109 5.9304 5.9304 6.4427 6.4427 6.4849 6.4849 6.9251 6.9251 k = 0.2059-0.1188 0.1886 ( 9892 PWs) bands (ev): -16.7537 -16.7537 -16.5553 -16.5553 -15.6953 -15.6953 -14.8101 -14.8101 -13.4203 -13.4203 -12.8008 -12.8008 -12.0252 -12.0252 -9.8365 -9.8365 -9.5383 -9.5383 -8.9282 -8.9282 -6.8823 -6.8823 -5.7723 -5.7723 -5.1008 -5.1008 -4.8551 -4.8551 -4.6056 -4.6056 -4.4266 -4.4266 -3.5981 -3.5981 -3.5250 -3.5250 -2.9977 -2.9977 -2.8612 -2.8612 -2.5109 -2.5109 -2.4040 -2.4040 -2.2834 -2.2834 -1.9780 -1.9780 -1.8760 -1.8760 -1.6651 -1.6651 -1.4937 -1.4937 -1.2804 -1.2804 -0.8397 -0.8397 -0.6322 -0.6322 -0.2159 -0.2159 0.0695 0.0695 4.4797 4.4797 4.6900 4.6900 5.9139 5.9139 6.4312 6.4312 6.4821 6.4821 6.9546 6.9546 k = 0.1912-0.1103 0.1751 ( 9900 PWs) bands (ev): -16.7566 -16.7566 -16.5545 -16.5545 -15.6953 -15.6953 -14.8050 -14.8050 -13.4203 -13.4203 -12.7990 -12.7990 -12.0283 -12.0283 -9.8436 -9.8436 -9.5361 -9.5361 -8.9279 -8.9279 -6.8869 -6.8869 -5.7672 -5.7672 -5.1032 -5.1032 -4.8607 -4.8607 -4.6020 -4.6020 -4.4397 -4.4397 -3.5846 -3.5846 -3.5205 -3.5205 -3.0071 -3.0071 -2.8542 -2.8542 -2.5171 -2.5171 -2.4151 -2.4151 -2.2835 -2.2835 -1.9788 -1.9788 -1.8597 -1.8597 -1.6560 -1.6560 -1.4856 -1.4856 -1.2706 -1.2706 -0.8411 -0.8411 -0.6253 -0.6253 -0.2207 -0.2207 0.0717 0.0717 4.4506 4.4506 4.6697 4.6697 5.8983 5.8983 6.4182 6.4182 6.4813 6.4813 6.9834 6.9834 k = 0.1765-0.1018 0.1616 ( 9904 PWs) bands (ev): -16.7593 -16.7593 -16.5537 -16.5537 -15.6953 -15.6953 -14.8000 -14.8000 -13.4203 -13.4203 -12.7974 -12.7974 -12.0312 -12.0312 -9.8505 -9.8505 -9.5341 -9.5341 -8.9276 -8.9276 -6.8913 -6.8913 -5.7622 -5.7622 -5.1053 -5.1053 -4.8665 -4.8665 -4.5987 -4.5987 -4.4522 -4.4522 -3.5727 -3.5727 -3.5139 -3.5139 -3.0169 -3.0169 -2.8466 -2.8466 -2.5254 -2.5254 -2.4246 -2.4246 -2.2835 -2.2835 -1.9804 -1.9804 -1.8423 -1.8423 -1.6468 -1.6468 -1.4781 -1.4781 -1.2626 -1.2626 -0.8427 -0.8427 -0.6179 -0.6179 -0.2254 -0.2254 0.0741 0.0741 4.4226 4.4226 4.6501 4.6501 5.8836 5.8836 6.4051 6.4051 6.4813 6.4813 7.0113 7.0113 k = 0.1618-0.0933 0.1482 ( 9905 PWs) bands (ev): -16.7619 -16.7619 -16.5529 -16.5529 -15.6953 -15.6953 -14.7952 -14.7952 -13.4203 -13.4203 -12.7958 -12.7958 -12.0340 -12.0340 -9.8570 -9.8570 -9.5321 -9.5321 -8.9274 -8.9274 -6.8955 -6.8955 -5.7573 -5.7573 -5.1072 -5.1072 -4.8723 -4.8723 -4.5955 -4.5955 -4.4642 -4.4642 -3.5631 -3.5631 -3.5045 -3.5045 -3.0270 -3.0270 -2.8384 -2.8384 -2.5358 -2.5358 -2.4324 -2.4324 -2.2834 -2.2834 -1.9824 -1.9824 -1.8246 -1.8246 -1.6379 -1.6379 -1.4711 -1.4711 -1.2564 -1.2564 -0.8445 -0.8445 -0.6099 -0.6099 -0.2300 -0.2300 0.0767 0.0767 4.3961 4.3961 4.6315 4.6315 5.8700 5.8700 6.3925 6.3925 6.4813 6.4813 7.0377 7.0377 k = 0.1471-0.0848 0.1347 ( 9902 PWs) bands (ev): -16.7644 -16.7644 -16.5522 -16.5522 -15.6952 -15.6952 -14.7908 -14.7908 -13.4203 -13.4203 -12.7942 -12.7942 -12.0366 -12.0366 -9.8632 -9.8632 -9.5302 -9.5302 -8.9271 -8.9271 -6.8994 -6.8994 -5.7525 -5.7525 -5.1090 -5.1090 -4.8780 -4.8780 -4.5926 -4.5926 -4.4754 -4.4754 -3.5560 -3.5560 -3.4927 -3.4927 -3.0373 -3.0373 -2.8295 -2.8295 -2.5482 -2.5482 -2.4384 -2.4384 -2.2834 -2.2834 -1.9846 -1.9846 -1.8070 -1.8070 -1.6292 -1.6292 -1.4646 -1.4646 -1.2520 -1.2520 -0.8466 -0.8466 -0.6016 -0.6016 -0.2342 -0.2342 0.0793 0.0793 4.3711 4.3711 4.6139 4.6139 5.8573 5.8573 6.3807 6.3807 6.4814 6.4814 7.0624 7.0624 k = 0.1324-0.0763 0.1212 ( 9906 PWs) bands (ev): -16.7666 -16.7666 -16.5516 -16.5516 -15.6952 -15.6952 -14.7866 -14.7866 -13.4203 -13.4203 -12.7928 -12.7928 -12.0391 -12.0391 -9.8690 -9.8690 -9.5284 -9.5284 -8.9269 -8.9269 -6.9031 -6.9031 -5.7480 -5.7480 -5.1105 -5.1105 -4.8836 -4.8836 -4.5899 -4.5899 -4.4858 -4.4858 -3.5508 -3.5508 -3.4789 -3.4789 -3.0476 -3.0476 -2.8201 -2.8201 -2.5622 -2.5622 -2.4428 -2.4428 -2.2835 -2.2835 -1.9867 -1.9867 -1.7898 -1.7898 -1.6209 -1.6209 -1.4585 -1.4585 -1.2494 -1.2494 -0.8489 -0.8489 -0.5932 -0.5932 -0.2382 -0.2382 0.0819 0.0819 4.3479 4.3479 4.5975 4.5975 5.8458 5.8458 6.3699 6.3699 6.4814 6.4814 7.0851 7.0851 k = 0.1176-0.0679 0.1077 ( 9911 PWs) bands (ev): -16.7687 -16.7687 -16.5510 -16.5510 -15.6952 -15.6952 -14.7828 -14.7828 -13.4203 -13.4203 -12.7915 -12.7915 -12.0413 -12.0413 -9.8743 -9.8743 -9.5268 -9.5268 -8.9268 -8.9268 -6.9065 -6.9065 -5.7438 -5.7438 -5.1118 -5.1118 -4.8890 -4.8890 -4.5875 -4.5875 -4.4953 -4.4953 -3.5471 -3.5471 -3.4642 -3.4642 -3.0580 -3.0580 -2.8101 -2.8101 -2.5774 -2.5774 -2.4460 -2.4460 -2.2837 -2.2837 -1.9886 -1.9886 -1.7735 -1.7735 -1.6132 -1.6132 -1.4528 -1.4528 -1.2483 -1.2483 -0.8513 -0.8513 -0.5847 -0.5847 -0.2417 -0.2417 0.0845 0.0845 4.3266 4.3266 4.5825 4.5825 5.8354 5.8354 6.3602 6.3602 6.4813 6.4813 7.1054 7.1054 k = 0.1029-0.0594 0.0943 ( 9907 PWs) bands (ev): -16.7706 -16.7706 -16.5504 -16.5504 -15.6951 -15.6951 -14.7793 -14.7793 -13.4203 -13.4203 -12.7904 -12.7904 -12.0434 -12.0434 -9.8790 -9.8790 -9.5253 -9.5253 -8.9266 -8.9266 -6.9095 -6.9095 -5.7399 -5.7399 -5.1129 -5.1129 -4.8941 -4.8941 -4.5854 -4.5854 -4.5038 -4.5038 -3.5443 -3.5443 -3.4492 -3.4492 -3.0682 -3.0682 -2.7994 -2.7994 -2.5935 -2.5935 -2.4482 -2.4482 -2.2840 -2.2840 -1.9904 -1.9904 -1.7581 -1.7581 -1.6062 -1.6062 -1.4473 -1.4473 -1.2487 -1.2487 -0.8538 -0.8538 -0.5765 -0.5765 -0.2449 -0.2449 0.0869 0.0869 4.3074 4.3074 4.5690 4.5690 5.8261 5.8261 6.3516 6.3516 6.4812 6.4812 7.1233 7.1233 k = 0.0882-0.0509 0.0808 ( 9907 PWs) bands (ev): -16.7722 -16.7722 -16.5500 -16.5500 -15.6951 -15.6951 -14.7763 -14.7763 -13.4203 -13.4203 -12.7893 -12.7893 -12.0452 -12.0452 -9.8833 -9.8833 -9.5240 -9.5240 -8.9265 -8.9265 -6.9122 -6.9122 -5.7364 -5.7364 -5.1138 -5.1138 -4.8987 -4.8987 -4.5835 -4.5835 -4.5113 -4.5113 -3.5421 -3.5421 -3.4347 -3.4347 -3.0780 -3.0780 -2.7881 -2.7881 -2.6099 -2.6099 -2.4498 -2.4498 -2.2843 -2.2843 -1.9920 -1.9920 -1.7442 -1.7442 -1.5999 -1.5999 -1.4421 -1.4421 -1.2501 -1.2501 -0.8562 -0.8562 -0.5687 -0.5687 -0.2477 -0.2477 0.0891 0.0891 4.2905 4.2905 4.5570 4.5570 5.8181 5.8181 6.3442 6.3442 6.4810 6.4810 7.1385 7.1385 k = 0.0735-0.0424 0.0673 ( 9907 PWs) bands (ev): -16.7736 -16.7736 -16.5496 -16.5496 -15.6951 -15.6951 -14.7736 -14.7736 -13.4203 -13.4203 -12.7884 -12.7884 -12.0468 -12.0468 -9.8869 -9.8869 -9.5229 -9.5229 -8.9264 -8.9264 -6.9145 -6.9145 -5.7333 -5.7333 -5.1145 -5.1145 -4.9028 -4.9028 -4.5820 -4.5820 -4.5177 -4.5177 -3.5403 -3.5403 -3.4212 -3.4212 -3.0872 -3.0872 -2.7761 -2.7761 -2.6266 -2.6266 -2.4508 -2.4508 -2.2847 -2.2847 -1.9933 -1.9933 -1.7318 -1.7318 -1.5946 -1.5946 -1.4373 -1.4373 -1.2524 -1.2524 -0.8584 -0.8584 -0.5617 -0.5617 -0.2501 -0.2501 0.0911 0.0911 4.2759 4.2759 4.5467 4.5467 5.8112 5.8112 6.3379 6.3379 6.4808 6.4808 7.1510 7.1510 k = 0.0588-0.0339 0.0539 ( 9894 PWs) bands (ev): -16.7748 -16.7748 -16.5492 -16.5492 -15.6950 -15.6950 -14.7715 -14.7715 -13.4203 -13.4203 -12.7877 -12.7877 -12.0480 -12.0480 -9.8899 -9.8899 -9.5220 -9.5220 -8.9263 -8.9263 -6.9164 -6.9164 -5.7308 -5.7308 -5.1150 -5.1150 -4.9063 -4.9063 -4.5807 -4.5807 -4.5230 -4.5230 -3.5390 -3.5390 -3.4092 -3.4092 -3.0954 -3.0954 -2.7636 -2.7636 -2.6433 -2.6433 -2.4515 -2.4515 -2.2851 -2.2851 -1.9943 -1.9943 -1.7212 -1.7212 -1.5902 -1.5902 -1.4329 -1.4329 -1.2551 -1.2551 -0.8604 -0.8604 -0.5556 -0.5556 -0.2520 -0.2520 0.0927 0.0927 4.2638 4.2638 4.5382 4.5382 5.8055 5.8055 6.3327 6.3327 6.4806 6.4806 7.1609 7.1609 k = 0.0441-0.0254 0.0404 ( 9892 PWs) bands (ev): -16.7757 -16.7757 -16.5490 -16.5490 -15.6950 -15.6950 -14.7698 -14.7698 -13.4203 -13.4203 -12.7871 -12.7871 -12.0491 -12.0491 -9.8923 -9.8923 -9.5212 -9.5212 -8.9262 -8.9262 -6.9180 -6.9180 -5.7287 -5.7287 -5.1154 -5.1154 -4.9091 -4.9091 -4.5797 -4.5797 -4.5271 -4.5271 -3.5380 -3.5380 -3.3991 -3.3991 -3.1024 -3.1024 -2.7504 -2.7504 -2.6598 -2.6598 -2.4520 -2.4520 -2.2854 -2.2854 -1.9952 -1.9952 -1.7127 -1.7127 -1.5869 -1.5869 -1.4291 -1.4291 -1.2578 -1.2578 -0.8620 -0.8620 -0.5506 -0.5506 -0.2535 -0.2535 0.0941 0.0941 4.2543 4.2543 4.5314 4.5314 5.8011 5.8011 6.3287 6.3287 6.4804 6.4804 7.1683 7.1683 k = 0.0294-0.0170 0.0269 ( 9893 PWs) bands (ev): -16.7763 -16.7763 -16.5488 -16.5488 -15.6950 -15.6950 -14.7685 -14.7685 -13.4203 -13.4203 -12.7867 -12.7867 -12.0498 -12.0498 -9.8940 -9.8940 -9.5207 -9.5207 -8.9261 -8.9261 -6.9190 -6.9190 -5.7273 -5.7273 -5.1157 -5.1157 -4.9112 -4.9112 -4.5790 -4.5790 -4.5301 -4.5301 -3.5372 -3.5372 -3.3915 -3.3915 -3.1077 -3.1077 -2.7366 -2.7366 -2.6760 -2.6760 -2.4522 -2.4522 -2.2856 -2.2856 -1.9957 -1.9957 -1.7064 -1.7064 -1.5845 -1.5845 -1.4262 -1.4262 -1.2601 -1.2601 -0.8632 -0.8632 -0.5469 -0.5469 -0.2546 -0.2546 0.0951 0.0951 4.2474 4.2474 4.5266 4.5266 5.7980 5.7980 6.3258 6.3258 6.4802 6.4802 7.1734 7.1734 k = 0.0147-0.0085 0.0135 ( 9876 PWs) bands (ev): -16.7767 -16.7767 -16.5487 -16.5487 -15.6950 -15.6950 -14.7678 -14.7678 -13.4203 -13.4203 -12.7864 -12.7864 -12.0502 -12.0502 -9.8950 -9.8950 -9.5204 -9.5204 -8.9261 -8.9261 -6.9197 -6.9197 -5.7264 -5.7264 -5.1158 -5.1158 -4.9125 -4.9125 -4.5786 -4.5786 -4.5318 -4.5318 -3.5368 -3.5368 -3.3868 -3.3868 -3.1110 -3.1110 -2.7223 -2.7223 -2.6919 -2.6919 -2.4524 -2.4524 -2.2858 -2.2858 -1.9961 -1.9961 -1.7026 -1.7026 -1.5830 -1.5830 -1.4243 -1.4243 -1.2616 -1.2616 -0.8640 -0.8640 -0.5447 -0.5447 -0.2553 -0.2553 0.0957 0.0957 4.2433 4.2433 4.5237 4.5237 5.7961 5.7961 6.3241 6.3241 6.4801 6.4801 7.1763 7.1763 k = 0.0000 0.0000 0.0000 ( 9873 PWs) bands (ev): -16.7769 -16.7769 -16.5486 -16.5486 -15.6950 -15.6950 -14.7675 -14.7675 -13.4203 -13.4203 -12.7863 -12.7863 -12.0504 -12.0504 -9.8953 -9.8953 -9.5203 -9.5203 -8.9261 -8.9261 -6.9199 -6.9199 -5.7261 -5.7261 -5.1159 -5.1159 -4.9129 -4.9129 -4.5785 -4.5785 -4.5324 -4.5324 -3.5367 -3.5367 -3.3852 -3.3852 -3.1122 -3.1122 -2.7084 -2.7084 -2.7063 -2.7063 -2.4524 -2.4524 -2.2859 -2.2859 -1.9962 -1.9962 -1.7013 -1.7013 -1.5825 -1.5825 -1.4237 -1.4237 -1.2622 -1.2622 -0.8642 -0.8642 -0.5439 -0.5439 -0.2555 -0.2555 0.0959 0.0959 4.2419 4.2419 4.5227 4.5227 5.7954 5.7954 6.3235 6.3235 6.4801 6.4801 7.1773 7.1773 Writing output data file H4C4BrN.save init_run : 0.25s CPU 0.40s WALL ( 1 calls) electrons : 363.32s CPU 367.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 363.31s CPU 367.10s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 244 calls) cegterg : 330.61s CPU 333.64s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 193.57s CPU 196.68s WALL ( 5778 calls) s_psi : 5.88s CPU 5.81s WALL ( 5778 calls) g_psi : 0.33s CPU 0.30s WALL ( 5149 calls) cdiaghg : 123.14s CPU 123.43s WALL ( 5393 calls) cegterg:over : 15.27s CPU 15.32s WALL ( 5149 calls) cegterg:upda : 10.15s CPU 10.04s WALL ( 5149 calls) cegterg:last : 5.64s CPU 5.67s WALL ( 873 calls) cdiaghg:chol : 4.96s CPU 4.84s WALL ( 5393 calls) cdiaghg:inve : 3.55s CPU 3.60s WALL ( 5393 calls) cdiaghg:para : 7.38s CPU 7.67s WALL ( 10786 calls) Called by h_psi: h_psi:vloc : 177.94s CPU 180.73s WALL ( 5778 calls) h_psi:vnl : 15.33s CPU 15.62s WALL ( 5778 calls) add_vuspsi : 6.32s CPU 6.35s WALL ( 5778 calls) General routines calbec : 9.00s CPU 9.25s WALL ( 5778 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 172.38s CPU 175.21s WALL ( 889264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.25s WALL ( 488 calls) Parallel routines fft_scatter : 117.76s CPU 120.07s WALL ( 889287 calls) PWSCF : 6m53.58s CPU 7m18.71s WALL This run was terminated on: 4:35:54 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=