Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 14:41:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxAgGex2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 49 14 1452 842 133 Max 71 50 15 1455 860 134 Sum 2555 1789 515 52329 30553 4799 bravais-lattice index = 14 lattice parameter (alat) = 11.8514 a.u. unit-cell volume = 724.9637 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.851441 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.748264 celldm(5)= -0.748264 celldm(6)= 0.496528 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.496528 0.868021 0.000000 ) a(3) = ( -0.748264 -0.434010 0.501733 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.572023 0.996546 ) b(2) = ( 0.000000 1.152046 0.996546 ) b(3) = ( 0.000000 0.000000 1.993092 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Sr 10.00 87.62000 Sr( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0000000 0.0000000 0.0199309), wk = 0.0030581 k( 3) = ( 0.0000000 0.0000000 0.0398618), wk = 0.0030581 k( 4) = ( 0.0000000 0.0000000 0.0597928), wk = 0.0030581 k( 5) = ( 0.0000000 0.0000000 0.0797237), wk = 0.0030581 k( 6) = ( 0.0000000 0.0000000 0.0996546), wk = 0.0030581 k( 7) = ( 0.0000000 0.0000000 0.1195855), wk = 0.0030581 k( 8) = ( 0.0000000 0.0000000 0.1395164), wk = 0.0030581 k( 9) = ( 0.0000000 0.0000000 0.1594473), wk = 0.0030581 k( 10) = ( 0.0000000 0.0000000 0.1793783), wk = 0.0030581 k( 11) = ( 0.0000000 0.0000000 0.1993092), wk = 0.0030581 k( 12) = ( 0.0000000 0.0000000 0.2192401), wk = 0.0030581 k( 13) = ( 0.0000000 0.0000000 0.2391710), wk = 0.0030581 k( 14) = ( 0.0000000 0.0000000 0.2591019), wk = 0.0030581 k( 15) = ( 0.0000000 0.0000000 0.2790329), wk = 0.0030581 k( 16) = ( 0.0000000 0.0000000 0.2989638), wk = 0.0030581 k( 17) = ( 0.0000000 0.0000000 0.3188947), wk = 0.0030581 k( 18) = ( 0.0000000 0.0000000 0.3388256), wk = 0.0030581 k( 19) = ( 0.0000000 0.0000000 0.3587565), wk = 0.0030581 k( 20) = ( 0.0000000 0.0000000 0.3786875), wk = 0.0030581 k( 21) = ( 0.0000000 0.0000000 0.3986184), wk = 0.0030581 k( 22) = ( 0.0000000 0.0000000 0.4185493), wk = 0.0030581 k( 23) = ( 0.0000000 0.0000000 0.4384802), wk = 0.0030581 k( 24) = ( 0.0000000 0.0000000 0.4584111), wk = 0.0030581 k( 25) = ( 0.0000000 0.0000000 0.4783420), wk = 0.0030581 k( 26) = ( 0.0000000 0.0000000 0.4982730), wk = 0.0030581 k( 27) = ( 0.0000000 0.0000000 0.5182039), wk = 0.0030581 k( 28) = ( 0.0000000 0.0000000 0.5381348), wk = 0.0030581 k( 29) = ( 0.0000000 0.0000000 0.5580657), wk = 0.0030581 k( 30) = ( 0.0000000 0.0000000 0.5779966), wk = 0.0030581 k( 31) = ( 0.0000000 0.0000000 0.5979276), wk = 0.0030581 k( 32) = ( 0.0000000 0.0000000 0.6178585), wk = 0.0030581 k( 33) = ( 0.0000000 0.0000000 0.6377894), wk = 0.0030581 k( 34) = ( 0.0000000 0.0000000 0.6577203), wk = 0.0030581 k( 35) = ( 0.0000000 0.0000000 0.6776512), wk = 0.0030581 k( 36) = ( 0.0000000 0.0000000 0.6975821), wk = 0.0030581 k( 37) = ( 0.0000000 0.0000000 0.7175131), wk = 0.0030581 k( 38) = ( 0.0000000 0.0000000 0.7374440), wk = 0.0030581 k( 39) = ( 0.0000000 0.0000000 0.7573749), wk = 0.0030581 k( 40) = ( 0.0000000 0.0000000 0.7773058), wk = 0.0030581 k( 41) = ( 0.0000000 0.0000000 0.7972367), wk = 0.0030581 k( 42) = ( 0.0000000 0.0000000 0.8171677), wk = 0.0030581 k( 43) = ( 0.0000000 0.0000000 0.8370986), wk = 0.0030581 k( 44) = ( 0.0000000 0.0000000 0.8570295), wk = 0.0030581 k( 45) = ( 0.0000000 0.0000000 0.8769604), wk = 0.0030581 k( 46) = ( 0.0000000 0.0000000 0.8968913), wk = 0.0030581 k( 47) = ( 0.0000000 0.0000000 0.9168222), wk = 0.0030581 k( 48) = ( 0.0000000 0.0000000 0.9367532), wk = 0.0030581 k( 49) = ( 0.0000000 0.0000000 0.9566841), wk = 0.0030581 k( 50) = ( 0.0000000 0.0000000 0.9766150), wk = 0.0030581 k( 51) = ( 0.0000000 0.0000000 0.9965459), wk = 0.0030581 k( 52) = ( 0.0000000 0.0000000 0.9965459), wk = 0.0030581 k( 53) = ( -0.0093452 0.0161118 0.9965459), wk = 0.0030581 k( 54) = ( -0.0186904 0.0322235 0.9965459), wk = 0.0030581 k( 55) = ( -0.0280356 0.0483352 0.9965459), wk = 0.0030581 k( 56) = ( -0.0373807 0.0644470 0.9965459), wk = 0.0030581 k( 57) = ( -0.0467259 0.0805588 0.9965459), wk = 0.0030581 k( 58) = ( -0.0560711 0.0966705 0.9965459), wk = 0.0030581 k( 59) = ( -0.0654163 0.1127823 0.9965459), wk = 0.0030581 k( 60) = ( -0.0747615 0.1288940 0.9965459), wk = 0.0030581 k( 61) = ( -0.0841067 0.1450058 0.9965459), wk = 0.0030581 k( 62) = ( -0.0841067 0.1450058 0.9965459), wk = 0.0030581 k( 63) = ( -0.0910383 0.1569563 0.9827307), wk = 0.0030581 k( 64) = ( -0.0979698 0.1689067 0.9689155), wk = 0.0030581 k( 65) = ( -0.1049014 0.1808572 0.9551002), wk = 0.0030581 k( 66) = ( -0.1118329 0.1928077 0.9412850), wk = 0.0030581 k( 67) = ( -0.1187645 0.2047582 0.9274698), wk = 0.0030581 k( 68) = ( -0.1256960 0.2167087 0.9136546), wk = 0.0030581 k( 69) = ( -0.1326276 0.2286591 0.8998393), wk = 0.0030581 k( 70) = ( -0.1395591 0.2406096 0.8860241), wk = 0.0030581 k( 71) = ( -0.1464907 0.2525601 0.8722089), wk = 0.0030581 k( 72) = ( -0.1534222 0.2645106 0.8583937), wk = 0.0030581 k( 73) = ( -0.1603538 0.2764611 0.8445784), wk = 0.0030581 k( 74) = ( -0.1672853 0.2884115 0.8307632), wk = 0.0030581 k( 75) = ( -0.1742169 0.3003620 0.8169480), wk = 0.0030581 k( 76) = ( -0.1811485 0.3123125 0.8031328), wk = 0.0030581 k( 77) = ( -0.1880800 0.3242630 0.7893175), wk = 0.0030581 k( 78) = ( -0.1950116 0.3362135 0.7755023), wk = 0.0030581 k( 79) = ( -0.2019431 0.3481640 0.7616871), wk = 0.0030581 k( 80) = ( -0.2088747 0.3601144 0.7478719), wk = 0.0030581 k( 81) = ( -0.2158062 0.3720649 0.7340566), wk = 0.0030581 k( 82) = ( -0.2227378 0.3840154 0.7202414), wk = 0.0030581 k( 83) = ( -0.2296693 0.3959659 0.7064262), wk = 0.0030581 k( 84) = ( -0.2366009 0.4079164 0.6926110), wk = 0.0030581 k( 85) = ( -0.2435325 0.4198668 0.6787957), wk = 0.0030581 k( 86) = ( -0.2504640 0.4318173 0.6649805), wk = 0.0030581 k( 87) = ( -0.2573956 0.4437678 0.6511653), wk = 0.0030581 k( 88) = ( -0.2643271 0.4557183 0.6373501), wk = 0.0030581 k( 89) = ( -0.2712587 0.4676688 0.6235348), wk = 0.0030581 k( 90) = ( -0.2781902 0.4796193 0.6097196), wk = 0.0030581 k( 91) = ( -0.2851218 0.4915697 0.5959044), wk = 0.0030581 k( 92) = ( -0.2920533 0.5035202 0.5820891), wk = 0.0030581 k( 93) = ( -0.2920533 0.5035202 0.5820891), wk = 0.0030581 k( 94) = ( -0.2850997 0.4915316 0.5682299), wk = 0.0030581 k( 95) = ( -0.2781460 0.4795431 0.5543706), wk = 0.0030581 k( 96) = ( -0.2711924 0.4675545 0.5405113), wk = 0.0030581 k( 97) = ( -0.2642387 0.4555659 0.5266521), wk = 0.0030581 k( 98) = ( -0.2572851 0.4435773 0.5127928), wk = 0.0030581 k( 99) = ( -0.2503314 0.4315888 0.4989336), wk = 0.0030581 k( 100) = ( -0.2433778 0.4196002 0.4850743), wk = 0.0030581 k( 101) = ( -0.2364241 0.4076116 0.4712150), wk = 0.0030581 k( 102) = ( -0.2294705 0.3956230 0.4573558), wk = 0.0030581 k( 103) = ( -0.2225168 0.3836344 0.4434965), wk = 0.0030581 k( 104) = ( -0.2155632 0.3716459 0.4296372), wk = 0.0030581 k( 105) = ( -0.2086095 0.3596573 0.4157780), wk = 0.0030581 k( 106) = ( -0.2016559 0.3476687 0.4019187), wk = 0.0030581 k( 107) = ( -0.1947022 0.3356801 0.3880594), wk = 0.0030581 k( 108) = ( -0.1877486 0.3236916 0.3742002), wk = 0.0030581 k( 109) = ( -0.1807949 0.3117030 0.3603409), wk = 0.0030581 k( 110) = ( -0.1738413 0.2997144 0.3464816), wk = 0.0030581 k( 111) = ( -0.1668876 0.2877258 0.3326224), wk = 0.0030581 k( 112) = ( -0.1599340 0.2757373 0.3187631), wk = 0.0030581 k( 113) = ( -0.1529803 0.2637487 0.3049038), wk = 0.0030581 k( 114) = ( -0.1460267 0.2517601 0.2910446), wk = 0.0030581 k( 115) = ( -0.1390730 0.2397715 0.2771853), wk = 0.0030581 k( 116) = ( -0.1321194 0.2277830 0.2633260), wk = 0.0030581 k( 117) = ( -0.1251657 0.2157944 0.2494668), wk = 0.0030581 k( 118) = ( -0.1182121 0.2038058 0.2356075), wk = 0.0030581 k( 119) = ( -0.1112584 0.1918172 0.2217482), wk = 0.0030581 k( 120) = ( -0.1043048 0.1798287 0.2078890), wk = 0.0030581 k( 121) = ( -0.0973511 0.1678401 0.1940297), wk = 0.0030581 k( 122) = ( -0.0903975 0.1558515 0.1801704), wk = 0.0030581 k( 123) = ( -0.0834438 0.1438629 0.1663112), wk = 0.0030581 k( 124) = ( -0.0764902 0.1318743 0.1524519), wk = 0.0030581 k( 125) = ( -0.0695365 0.1198858 0.1385927), wk = 0.0030581 k( 126) = ( -0.0625829 0.1078972 0.1247334), wk = 0.0030581 k( 127) = ( -0.0556292 0.0959086 0.1108741), wk = 0.0030581 k( 128) = ( -0.0486756 0.0839200 0.0970149), wk = 0.0030581 k( 129) = ( -0.0417219 0.0719315 0.0831556), wk = 0.0030581 k( 130) = ( -0.0347683 0.0599429 0.0692963), wk = 0.0030581 k( 131) = ( -0.0278146 0.0479543 0.0554371), wk = 0.0030581 k( 132) = ( -0.0208609 0.0359657 0.0415778), wk = 0.0030581 k( 133) = ( -0.0139073 0.0239771 0.0277185), wk = 0.0030581 k( 134) = ( -0.0069536 0.0119886 0.0138593), wk = 0.0030581 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 137) = ( 0.0172414 0.0100004 -0.0000000), wk = 0.0030581 k( 138) = ( 0.0344828 0.0200008 -0.0000000), wk = 0.0030581 k( 139) = ( 0.0517241 0.0300012 -0.0000000), wk = 0.0030581 k( 140) = ( 0.0689655 0.0400016 -0.0000000), wk = 0.0030581 k( 141) = ( 0.0862069 0.0500020 -0.0000000), wk = 0.0030581 k( 142) = ( 0.1034483 0.0600024 -0.0000000), wk = 0.0030581 k( 143) = ( 0.1206897 0.0700028 -0.0000000), wk = 0.0030581 k( 144) = ( 0.1379310 0.0800032 -0.0000000), wk = 0.0030581 k( 145) = ( 0.1551724 0.0900036 -0.0000000), wk = 0.0030581 k( 146) = ( 0.1724138 0.1000040 -0.0000000), wk = 0.0030581 k( 147) = ( 0.1896552 0.1100044 -0.0000000), wk = 0.0030581 k( 148) = ( 0.2068966 0.1200048 -0.0000000), wk = 0.0030581 k( 149) = ( 0.2241379 0.1300052 -0.0000000), wk = 0.0030581 k( 150) = ( 0.2413793 0.1400056 -0.0000000), wk = 0.0030581 k( 151) = ( 0.2586207 0.1500060 -0.0000000), wk = 0.0030581 k( 152) = ( 0.2758621 0.1600064 -0.0000000), wk = 0.0030581 k( 153) = ( 0.2931034 0.1700068 -0.0000000), wk = 0.0030581 k( 154) = ( 0.3103448 0.1800072 -0.0000000), wk = 0.0030581 k( 155) = ( 0.3275862 0.1900076 -0.0000000), wk = 0.0030581 k( 156) = ( 0.3448276 0.2000080 -0.0000000), wk = 0.0030581 k( 157) = ( 0.3620690 0.2100084 -0.0000000), wk = 0.0030581 k( 158) = ( 0.3793103 0.2200087 -0.0000000), wk = 0.0030581 k( 159) = ( 0.3965517 0.2300091 -0.0000000), wk = 0.0030581 k( 160) = ( 0.4137931 0.2400095 -0.0000000), wk = 0.0030581 k( 161) = ( 0.4310345 0.2500099 -0.0000000), wk = 0.0030581 k( 162) = ( 0.4482759 0.2600103 -0.0000000), wk = 0.0030581 k( 163) = ( 0.4655172 0.2700107 -0.0000000), wk = 0.0030581 k( 164) = ( 0.4827586 0.2800111 -0.0000000), wk = 0.0030581 k( 165) = ( 0.5000000 0.2900115 -0.0000000), wk = 0.0030581 k( 166) = ( 0.5000000 0.2900115 -0.0000000), wk = 0.0030581 k( 167) = ( 0.4930684 0.3019620 0.0138152), wk = 0.0030581 k( 168) = ( 0.4861369 0.3139125 0.0276305), wk = 0.0030581 k( 169) = ( 0.4792053 0.3258630 0.0414457), wk = 0.0030581 k( 170) = ( 0.4722738 0.3378135 0.0552609), wk = 0.0030581 k( 171) = ( 0.4653422 0.3497640 0.0690761), wk = 0.0030581 k( 172) = ( 0.4584107 0.3617144 0.0828914), wk = 0.0030581 k( 173) = ( 0.4514791 0.3736649 0.0967066), wk = 0.0030581 k( 174) = ( 0.4445476 0.3856154 0.1105218), wk = 0.0030581 k( 175) = ( 0.4376160 0.3975659 0.1243370), wk = 0.0030581 k( 176) = ( 0.4306844 0.4095164 0.1381523), wk = 0.0030581 k( 177) = ( 0.4237529 0.4214668 0.1519675), wk = 0.0030581 k( 178) = ( 0.4168213 0.4334173 0.1657827), wk = 0.0030581 k( 179) = ( 0.4098898 0.4453678 0.1795979), wk = 0.0030581 k( 180) = ( 0.4029582 0.4573183 0.1934132), wk = 0.0030581 k( 181) = ( 0.3960267 0.4692688 0.2072284), wk = 0.0030581 k( 182) = ( 0.3890951 0.4812192 0.2210436), wk = 0.0030581 k( 183) = ( 0.3821636 0.4931697 0.2348588), wk = 0.0030581 k( 184) = ( 0.3752320 0.5051202 0.2486741), wk = 0.0030581 k( 185) = ( 0.3683005 0.5170707 0.2624893), wk = 0.0030581 k( 186) = ( 0.3613689 0.5290212 0.2763045), wk = 0.0030581 k( 187) = ( 0.3544373 0.5409717 0.2901198), wk = 0.0030581 k( 188) = ( 0.3475058 0.5529221 0.3039350), wk = 0.0030581 k( 189) = ( 0.3405742 0.5648726 0.3177502), wk = 0.0030581 k( 190) = ( 0.3336427 0.5768231 0.3315654), wk = 0.0030581 k( 191) = ( 0.3267111 0.5887736 0.3453807), wk = 0.0030581 k( 192) = ( 0.3197796 0.6007241 0.3591959), wk = 0.0030581 k( 193) = ( 0.3128480 0.6126745 0.3730111), wk = 0.0030581 k( 194) = ( 0.3059165 0.6246250 0.3868263), wk = 0.0030581 k( 195) = ( 0.2989849 0.6365755 0.4006416), wk = 0.0030581 k( 196) = ( 0.2920533 0.6485260 0.4144568), wk = 0.0030581 k( 197) = ( 0.2920533 0.6485260 0.4144568), wk = 0.0030581 k( 198) = ( 0.2738000 0.6439946 0.4196953), wk = 0.0030581 k( 199) = ( 0.2555467 0.6394631 0.4249338), wk = 0.0030581 k( 200) = ( 0.2372933 0.6349317 0.4301723), wk = 0.0030581 k( 201) = ( 0.2190400 0.6304003 0.4354108), wk = 0.0030581 k( 202) = ( 0.2007867 0.6258688 0.4406493), wk = 0.0030581 k( 203) = ( 0.1825333 0.6213374 0.4458879), wk = 0.0030581 k( 204) = ( 0.1642800 0.6168060 0.4511264), wk = 0.0030581 k( 205) = ( 0.1460267 0.6122746 0.4563649), wk = 0.0030581 k( 206) = ( 0.1277733 0.6077431 0.4616034), wk = 0.0030581 k( 207) = ( 0.1095200 0.6032117 0.4668419), wk = 0.0030581 k( 208) = ( 0.0912667 0.5986803 0.4720804), wk = 0.0030581 k( 209) = ( 0.0730133 0.5941488 0.4773189), wk = 0.0030581 k( 210) = ( 0.0547600 0.5896174 0.4825574), wk = 0.0030581 k( 211) = ( 0.0365067 0.5850860 0.4877959), wk = 0.0030581 k( 212) = ( 0.0182533 0.5805545 0.4930345), wk = 0.0030581 k( 213) = ( 0.0000000 0.5760231 0.4982730), wk = 0.0030581 k( 214) = ( 0.0000000 0.5760231 0.4982730), wk = 0.0030581 k( 215) = ( 0.0069444 0.5640504 0.5121139), wk = 0.0030581 k( 216) = ( 0.0138889 0.5520777 0.5259548), wk = 0.0030581 k( 217) = ( 0.0208333 0.5401050 0.5397957), wk = 0.0030581 k( 218) = ( 0.0277778 0.5281323 0.5536366), wk = 0.0030581 k( 219) = ( 0.0347222 0.5161596 0.5674775), wk = 0.0030581 k( 220) = ( 0.0416667 0.5041869 0.5813185), wk = 0.0030581 k( 221) = ( 0.0486111 0.4922142 0.5951594), wk = 0.0030581 k( 222) = ( 0.0555556 0.4802415 0.6090003), wk = 0.0030581 k( 223) = ( 0.0625000 0.4682688 0.6228412), wk = 0.0030581 k( 224) = ( 0.0694444 0.4562961 0.6366821), wk = 0.0030581 k( 225) = ( 0.0763889 0.4443234 0.6505230), wk = 0.0030581 k( 226) = ( 0.0833333 0.4323507 0.6643639), wk = 0.0030581 k( 227) = ( 0.0902778 0.4203780 0.6782049), wk = 0.0030581 k( 228) = ( 0.0972222 0.4084053 0.6920458), wk = 0.0030581 k( 229) = ( 0.1041667 0.3964325 0.7058867), wk = 0.0030581 k( 230) = ( 0.1111111 0.3844598 0.7197276), wk = 0.0030581 k( 231) = ( 0.1180556 0.3724871 0.7335685), wk = 0.0030581 k( 232) = ( 0.1250000 0.3605144 0.7474094), wk = 0.0030581 k( 233) = ( 0.1319444 0.3485417 0.7612503), wk = 0.0030581 k( 234) = ( 0.1388889 0.3365690 0.7750913), wk = 0.0030581 k( 235) = ( 0.1458333 0.3245963 0.7889322), wk = 0.0030581 k( 236) = ( 0.1527778 0.3126236 0.8027731), wk = 0.0030581 k( 237) = ( 0.1597222 0.3006509 0.8166140), wk = 0.0030581 k( 238) = ( 0.1666667 0.2886782 0.8304549), wk = 0.0030581 k( 239) = ( 0.1736111 0.2767055 0.8442958), wk = 0.0030581 k( 240) = ( 0.1805556 0.2647328 0.8581368), wk = 0.0030581 k( 241) = ( 0.1875000 0.2527601 0.8719777), wk = 0.0030581 k( 242) = ( 0.1944444 0.2407874 0.8858186), wk = 0.0030581 k( 243) = ( 0.2013889 0.2288147 0.8996595), wk = 0.0030581 k( 244) = ( 0.2083333 0.2168420 0.9135004), wk = 0.0030581 k( 245) = ( 0.2152778 0.2048693 0.9273413), wk = 0.0030581 k( 246) = ( 0.2222222 0.1928966 0.9411823), wk = 0.0030581 k( 247) = ( 0.2291667 0.1809239 0.9550232), wk = 0.0030581 k( 248) = ( 0.2361111 0.1689512 0.9688641), wk = 0.0030581 k( 249) = ( 0.2430556 0.1569785 0.9827050), wk = 0.0030581 k( 250) = ( 0.2500000 0.1450058 0.9965459), wk = 0.0030581 k( 251) = ( 0.2500000 0.1450058 0.9965459), wk = 0.0030581 k( 252) = ( 0.2647059 0.1535355 0.9866852), wk = 0.0030581 k( 253) = ( 0.2794118 0.1620653 0.9768245), wk = 0.0030581 k( 254) = ( 0.2941177 0.1705950 0.9669638), wk = 0.0030581 k( 255) = ( 0.3088235 0.1791248 0.9571030), wk = 0.0030581 k( 256) = ( 0.3235294 0.1876545 0.9472423), wk = 0.0030581 k( 257) = ( 0.3382353 0.1961843 0.9373815), wk = 0.0030581 k( 258) = ( 0.3529412 0.2047140 0.9275208), wk = 0.0030581 k( 259) = ( 0.3676471 0.2132438 0.9176601), wk = 0.0030581 k( 260) = ( 0.3823529 0.2217735 0.9077994), wk = 0.0030581 k( 261) = ( 0.3970588 0.2303033 0.8979386), wk = 0.0030581 k( 262) = ( 0.4117647 0.2388330 0.8880779), wk = 0.0030581 k( 263) = ( 0.4264706 0.2473628 0.8782172), wk = 0.0030581 k( 264) = ( 0.4411765 0.2558925 0.8683565), wk = 0.0030581 k( 265) = ( 0.4558823 0.2644223 0.8584957), wk = 0.0030581 k( 266) = ( 0.4705882 0.2729520 0.8486350), wk = 0.0030581 k( 267) = ( 0.4852941 0.2814818 0.8387743), wk = 0.0030581 k( 268) = ( 0.5000000 0.2900115 0.8289136), wk = 0.0030581 k( 269) = ( 0.5000000 0.2900115 0.8289136), wk = 0.0030581 k( 270) = ( 0.5000000 0.2900115 0.8091775), wk = 0.0030581 k( 271) = ( 0.5000000 0.2900115 0.7894415), wk = 0.0030581 k( 272) = ( 0.5000000 0.2900115 0.7697054), wk = 0.0030581 k( 273) = ( 0.5000000 0.2900115 0.7499694), wk = 0.0030581 k( 274) = ( 0.5000000 0.2900115 0.7302334), wk = 0.0030581 k( 275) = ( 0.5000000 0.2900115 0.7104973), wk = 0.0030581 k( 276) = ( 0.5000000 0.2900115 0.6907613), wk = 0.0030581 k( 277) = ( 0.5000000 0.2900115 0.6710253), wk = 0.0030581 k( 278) = ( 0.5000000 0.2900115 0.6512892), wk = 0.0030581 k( 279) = ( 0.5000000 0.2900115 0.6315532), wk = 0.0030581 k( 280) = ( 0.5000000 0.2900115 0.6118172), wk = 0.0030581 k( 281) = ( 0.5000000 0.2900115 0.5920811), wk = 0.0030581 k( 282) = ( 0.5000000 0.2900115 0.5723451), wk = 0.0030581 k( 283) = ( 0.5000000 0.2900115 0.5526090), wk = 0.0030581 k( 284) = ( 0.5000000 0.2900115 0.5328730), wk = 0.0030581 k( 285) = ( 0.5000000 0.2900115 0.5131370), wk = 0.0030581 k( 286) = ( 0.5000000 0.2900115 0.4934009), wk = 0.0030581 k( 287) = ( 0.5000000 0.2900115 0.4736649), wk = 0.0030581 k( 288) = ( 0.5000000 0.2900115 0.4539289), wk = 0.0030581 k( 289) = ( 0.5000000 0.2900115 0.4341928), wk = 0.0030581 k( 290) = ( 0.5000000 0.2900115 0.4144568), wk = 0.0030581 k( 291) = ( 0.5000000 0.2900115 0.3947207), wk = 0.0030581 k( 292) = ( 0.5000000 0.2900115 0.3749847), wk = 0.0030581 k( 293) = ( 0.5000000 0.2900115 0.3552487), wk = 0.0030581 k( 294) = ( 0.5000000 0.2900115 0.3355126), wk = 0.0030581 k( 295) = ( 0.5000000 0.2900115 0.3157766), wk = 0.0030581 k( 296) = ( 0.5000000 0.2900115 0.2960405), wk = 0.0030581 k( 297) = ( 0.5000000 0.2900115 0.2763045), wk = 0.0030581 k( 298) = ( 0.5000000 0.2900115 0.2565685), wk = 0.0030581 k( 299) = ( 0.5000000 0.2900115 0.2368324), wk = 0.0030581 k( 300) = ( 0.5000000 0.2900115 0.2170964), wk = 0.0030581 k( 301) = ( 0.5000000 0.2900115 0.1973604), wk = 0.0030581 k( 302) = ( 0.5000000 0.2900115 0.1776243), wk = 0.0030581 k( 303) = ( 0.5000000 0.2900115 0.1578883), wk = 0.0030581 k( 304) = ( 0.5000000 0.2900115 0.1381523), wk = 0.0030581 k( 305) = ( 0.5000000 0.2900115 0.1184162), wk = 0.0030581 k( 306) = ( 0.5000000 0.2900115 0.0986802), wk = 0.0030581 k( 307) = ( 0.5000000 0.2900115 0.0789442), wk = 0.0030581 k( 308) = ( 0.5000000 0.2900115 0.0592081), wk = 0.0030581 k( 309) = ( 0.5000000 0.2900115 0.0394721), wk = 0.0030581 k( 310) = ( 0.5000000 0.2900115 0.0197360), wk = 0.0030581 k( 311) = ( 0.5000000 0.2900115 -0.0000000), wk = 0.0030581 k( 312) = ( 0.0000000 0.0000000 0.9965459), wk = 0.0030581 k( 313) = ( 0.0166667 0.0096671 0.9965459), wk = 0.0030581 k( 314) = ( 0.0333333 0.0193341 0.9965459), wk = 0.0030581 k( 315) = ( 0.0500000 0.0290012 0.9965459), wk = 0.0030581 k( 316) = ( 0.0666667 0.0386682 0.9965459), wk = 0.0030581 k( 317) = ( 0.0833333 0.0483353 0.9965459), wk = 0.0030581 k( 318) = ( 0.1000000 0.0580023 0.9965459), wk = 0.0030581 k( 319) = ( 0.1166667 0.0676694 0.9965459), wk = 0.0030581 k( 320) = ( 0.1333333 0.0773364 0.9965459), wk = 0.0030581 k( 321) = ( 0.1500000 0.0870035 0.9965459), wk = 0.0030581 k( 322) = ( 0.1666667 0.0966705 0.9965459), wk = 0.0030581 k( 323) = ( 0.1833333 0.1063376 0.9965459), wk = 0.0030581 k( 324) = ( 0.2000000 0.1160046 0.9965459), wk = 0.0030581 k( 325) = ( 0.2166667 0.1256717 0.9965459), wk = 0.0030581 k( 326) = ( 0.2333333 0.1353387 0.9965459), wk = 0.0030581 k( 327) = ( 0.2500000 0.1450058 0.9965459), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0030581 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030581 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0030581 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030581 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030581 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030581 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0030581 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030581 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0030581 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030581 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0030581 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030581 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0030581 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030581 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030581 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030581 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0030581 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030581 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0030581 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030581 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0030581 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030581 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0030581 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030581 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030581 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030581 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0030581 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030581 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0030581 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030581 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0030581 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030581 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0030581 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030581 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030581 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030581 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0030581 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030581 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0030581 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030581 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0030581 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030581 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0030581 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030581 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030581 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030581 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0030581 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030581 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0030581 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 53) = ( -0.0093452 0.0093452 0.5000000), wk = 0.0030581 k( 54) = ( -0.0186904 0.0186904 0.5000000), wk = 0.0030581 k( 55) = ( -0.0280356 0.0280356 0.5000000), wk = 0.0030581 k( 56) = ( -0.0373807 0.0373807 0.5000000), wk = 0.0030581 k( 57) = ( -0.0467259 0.0467259 0.5000000), wk = 0.0030581 k( 58) = ( -0.0560711 0.0560711 0.5000000), wk = 0.0030581 k( 59) = ( -0.0654163 0.0654163 0.5000000), wk = 0.0030581 k( 60) = ( -0.0747615 0.0747615 0.5000000), wk = 0.0030581 k( 61) = ( -0.0841067 0.0841067 0.5000000), wk = 0.0030581 k( 62) = ( -0.0841067 0.0841067 0.5000000), wk = 0.0030581 k( 63) = ( -0.0910383 0.0910382 0.4930684), wk = 0.0030581 k( 64) = ( -0.0979698 0.0979698 0.4861369), wk = 0.0030581 k( 65) = ( -0.1049014 0.1049014 0.4792053), wk = 0.0030581 k( 66) = ( -0.1118329 0.1118329 0.4722738), wk = 0.0030581 k( 67) = ( -0.1187645 0.1187645 0.4653422), wk = 0.0030581 k( 68) = ( -0.1256960 0.1256960 0.4584107), wk = 0.0030581 k( 69) = ( -0.1326276 0.1326276 0.4514791), wk = 0.0030581 k( 70) = ( -0.1395591 0.1395591 0.4445476), wk = 0.0030581 k( 71) = ( -0.1464907 0.1464907 0.4376160), wk = 0.0030581 k( 72) = ( -0.1534222 0.1534222 0.4306844), wk = 0.0030581 k( 73) = ( -0.1603538 0.1603538 0.4237529), wk = 0.0030581 k( 74) = ( -0.1672853 0.1672853 0.4168213), wk = 0.0030581 k( 75) = ( -0.1742169 0.1742169 0.4098898), wk = 0.0030581 k( 76) = ( -0.1811485 0.1811485 0.4029582), wk = 0.0030581 k( 77) = ( -0.1880800 0.1880800 0.3960267), wk = 0.0030581 k( 78) = ( -0.1950116 0.1950116 0.3890951), wk = 0.0030581 k( 79) = ( -0.2019431 0.2019431 0.3821636), wk = 0.0030581 k( 80) = ( -0.2088747 0.2088747 0.3752320), wk = 0.0030581 k( 81) = ( -0.2158062 0.2158062 0.3683005), wk = 0.0030581 k( 82) = ( -0.2227378 0.2227378 0.3613689), wk = 0.0030581 k( 83) = ( -0.2296693 0.2296693 0.3544373), wk = 0.0030581 k( 84) = ( -0.2366009 0.2366009 0.3475058), wk = 0.0030581 k( 85) = ( -0.2435325 0.2435325 0.3405742), wk = 0.0030581 k( 86) = ( -0.2504640 0.2504640 0.3336427), wk = 0.0030581 k( 87) = ( -0.2573956 0.2573956 0.3267111), wk = 0.0030581 k( 88) = ( -0.2643271 0.2643271 0.3197796), wk = 0.0030581 k( 89) = ( -0.2712587 0.2712587 0.3128480), wk = 0.0030581 k( 90) = ( -0.2781902 0.2781902 0.3059165), wk = 0.0030581 k( 91) = ( -0.2851218 0.2851218 0.2989849), wk = 0.0030581 k( 92) = ( -0.2920533 0.2920533 0.2920533), wk = 0.0030581 k( 93) = ( -0.2920533 0.2920533 0.2920533), wk = 0.0030581 k( 94) = ( -0.2850997 0.2850997 0.2850997), wk = 0.0030581 k( 95) = ( -0.2781460 0.2781460 0.2781460), wk = 0.0030581 k( 96) = ( -0.2711924 0.2711924 0.2711924), wk = 0.0030581 k( 97) = ( -0.2642387 0.2642387 0.2642387), wk = 0.0030581 k( 98) = ( -0.2572851 0.2572851 0.2572851), wk = 0.0030581 k( 99) = ( -0.2503314 0.2503314 0.2503314), wk = 0.0030581 k( 100) = ( -0.2433778 0.2433778 0.2433778), wk = 0.0030581 k( 101) = ( -0.2364241 0.2364241 0.2364241), wk = 0.0030581 k( 102) = ( -0.2294705 0.2294705 0.2294705), wk = 0.0030581 k( 103) = ( -0.2225168 0.2225168 0.2225168), wk = 0.0030581 k( 104) = ( -0.2155632 0.2155632 0.2155632), wk = 0.0030581 k( 105) = ( -0.2086095 0.2086095 0.2086095), wk = 0.0030581 k( 106) = ( -0.2016559 0.2016559 0.2016559), wk = 0.0030581 k( 107) = ( -0.1947022 0.1947022 0.1947022), wk = 0.0030581 k( 108) = ( -0.1877486 0.1877486 0.1877486), wk = 0.0030581 k( 109) = ( -0.1807949 0.1807949 0.1807949), wk = 0.0030581 k( 110) = ( -0.1738413 0.1738413 0.1738413), wk = 0.0030581 k( 111) = ( -0.1668876 0.1668876 0.1668876), wk = 0.0030581 k( 112) = ( -0.1599340 0.1599340 0.1599340), wk = 0.0030581 k( 113) = ( -0.1529803 0.1529803 0.1529803), wk = 0.0030581 k( 114) = ( -0.1460267 0.1460267 0.1460267), wk = 0.0030581 k( 115) = ( -0.1390730 0.1390730 0.1390730), wk = 0.0030581 k( 116) = ( -0.1321194 0.1321194 0.1321194), wk = 0.0030581 k( 117) = ( -0.1251657 0.1251657 0.1251657), wk = 0.0030581 k( 118) = ( -0.1182121 0.1182121 0.1182121), wk = 0.0030581 k( 119) = ( -0.1112584 0.1112584 0.1112584), wk = 0.0030581 k( 120) = ( -0.1043048 0.1043048 0.1043048), wk = 0.0030581 k( 121) = ( -0.0973511 0.0973511 0.0973511), wk = 0.0030581 k( 122) = ( -0.0903975 0.0903975 0.0903975), wk = 0.0030581 k( 123) = ( -0.0834438 0.0834438 0.0834438), wk = 0.0030581 k( 124) = ( -0.0764902 0.0764902 0.0764902), wk = 0.0030581 k( 125) = ( -0.0695365 0.0695365 0.0695365), wk = 0.0030581 k( 126) = ( -0.0625829 0.0625829 0.0625829), wk = 0.0030581 k( 127) = ( -0.0556292 0.0556292 0.0556292), wk = 0.0030581 k( 128) = ( -0.0486756 0.0486756 0.0486756), wk = 0.0030581 k( 129) = ( -0.0417219 0.0417219 0.0417219), wk = 0.0030581 k( 130) = ( -0.0347683 0.0347683 0.0347683), wk = 0.0030581 k( 131) = ( -0.0278146 0.0278146 0.0278146), wk = 0.0030581 k( 132) = ( -0.0208609 0.0208609 0.0208610), wk = 0.0030581 k( 133) = ( -0.0139073 0.0139073 0.0139073), wk = 0.0030581 k( 134) = ( -0.0069536 0.0069536 0.0069536), wk = 0.0030581 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 137) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0030581 k( 138) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0030581 k( 139) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0030581 k( 140) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0030581 k( 141) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0030581 k( 142) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0030581 k( 143) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0030581 k( 144) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0030581 k( 145) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0030581 k( 146) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0030581 k( 147) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0030581 k( 148) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0030581 k( 149) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0030581 k( 150) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0030581 k( 151) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0030581 k( 152) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0030581 k( 153) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0030581 k( 154) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0030581 k( 155) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0030581 k( 156) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0030581 k( 157) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0030581 k( 158) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0030581 k( 159) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0030581 k( 160) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0030581 k( 161) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0030581 k( 162) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0030581 k( 163) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0030581 k( 164) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0030581 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 k( 167) = ( 0.4930684 0.5069316 -0.4930684), wk = 0.0030581 k( 168) = ( 0.4861369 0.5138631 -0.4861369), wk = 0.0030581 k( 169) = ( 0.4792053 0.5207947 -0.4792053), wk = 0.0030581 k( 170) = ( 0.4722738 0.5277262 -0.4722738), wk = 0.0030581 k( 171) = ( 0.4653422 0.5346578 -0.4653422), wk = 0.0030581 k( 172) = ( 0.4584107 0.5415893 -0.4584107), wk = 0.0030581 k( 173) = ( 0.4514791 0.5485209 -0.4514791), wk = 0.0030581 k( 174) = ( 0.4445476 0.5554524 -0.4445476), wk = 0.0030581 k( 175) = ( 0.4376160 0.5623840 -0.4376160), wk = 0.0030581 k( 176) = ( 0.4306844 0.5693156 -0.4306845), wk = 0.0030581 k( 177) = ( 0.4237529 0.5762471 -0.4237529), wk = 0.0030581 k( 178) = ( 0.4168213 0.5831787 -0.4168213), wk = 0.0030581 k( 179) = ( 0.4098898 0.5901102 -0.4098898), wk = 0.0030581 k( 180) = ( 0.4029582 0.5970418 -0.4029582), wk = 0.0030581 k( 181) = ( 0.3960267 0.6039733 -0.3960267), wk = 0.0030581 k( 182) = ( 0.3890951 0.6109049 -0.3890951), wk = 0.0030581 k( 183) = ( 0.3821636 0.6178364 -0.3821636), wk = 0.0030581 k( 184) = ( 0.3752320 0.6247680 -0.3752320), wk = 0.0030581 k( 185) = ( 0.3683005 0.6316995 -0.3683005), wk = 0.0030581 k( 186) = ( 0.3613689 0.6386311 -0.3613689), wk = 0.0030581 k( 187) = ( 0.3544373 0.6455627 -0.3544373), wk = 0.0030581 k( 188) = ( 0.3475058 0.6524942 -0.3475058), wk = 0.0030581 k( 189) = ( 0.3405742 0.6594258 -0.3405742), wk = 0.0030581 k( 190) = ( 0.3336427 0.6663573 -0.3336427), wk = 0.0030581 k( 191) = ( 0.3267111 0.6732889 -0.3267111), wk = 0.0030581 k( 192) = ( 0.3197796 0.6802204 -0.3197796), wk = 0.0030581 k( 193) = ( 0.3128480 0.6871520 -0.3128480), wk = 0.0030581 k( 194) = ( 0.3059165 0.6940835 -0.3059165), wk = 0.0030581 k( 195) = ( 0.2989849 0.7010151 -0.2989849), wk = 0.0030581 k( 196) = ( 0.2920533 0.7079467 -0.2920533), wk = 0.0030581 k( 197) = ( 0.2920533 0.7079467 -0.2920533), wk = 0.0030581 k( 198) = ( 0.2738000 0.6949500 -0.2738000), wk = 0.0030581 k( 199) = ( 0.2555467 0.6819533 -0.2555467), wk = 0.0030581 k( 200) = ( 0.2372933 0.6689567 -0.2372933), wk = 0.0030581 k( 201) = ( 0.2190400 0.6559600 -0.2190400), wk = 0.0030581 k( 202) = ( 0.2007867 0.6429633 -0.2007867), wk = 0.0030581 k( 203) = ( 0.1825333 0.6299667 -0.1825333), wk = 0.0030581 k( 204) = ( 0.1642800 0.6169700 -0.1642800), wk = 0.0030581 k( 205) = ( 0.1460267 0.6039733 -0.1460267), wk = 0.0030581 k( 206) = ( 0.1277733 0.5909767 -0.1277733), wk = 0.0030581 k( 207) = ( 0.1095200 0.5779800 -0.1095200), wk = 0.0030581 k( 208) = ( 0.0912667 0.5649833 -0.0912667), wk = 0.0030581 k( 209) = ( 0.0730133 0.5519867 -0.0730133), wk = 0.0030581 k( 210) = ( 0.0547600 0.5389900 -0.0547600), wk = 0.0030581 k( 211) = ( 0.0365067 0.5259933 -0.0365067), wk = 0.0030581 k( 212) = ( 0.0182533 0.5129967 -0.0182533), wk = 0.0030581 k( 213) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030581 k( 214) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030581 k( 215) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030581 k( 216) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030581 k( 217) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030581 k( 218) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030581 k( 219) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030581 k( 220) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030581 k( 221) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030581 k( 222) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030581 k( 223) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030581 k( 224) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030581 k( 225) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030581 k( 226) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030581 k( 227) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030581 k( 228) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030581 k( 229) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030581 k( 230) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030581 k( 231) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030581 k( 232) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030581 k( 233) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030581 k( 234) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030581 k( 235) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030581 k( 236) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030581 k( 237) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030581 k( 238) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030581 k( 239) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030581 k( 240) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030581 k( 241) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030581 k( 242) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030581 k( 243) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030581 k( 244) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030581 k( 245) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030581 k( 246) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030581 k( 247) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030581 k( 248) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030581 k( 249) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030581 k( 250) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 251) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 252) = ( 0.2647059 0.2647059 0.2303467), wk = 0.0030581 k( 253) = ( 0.2794118 0.2794118 0.2106933), wk = 0.0030581 k( 254) = ( 0.2941177 0.2941177 0.1910400), wk = 0.0030581 k( 255) = ( 0.3088235 0.3088235 0.1713867), wk = 0.0030581 k( 256) = ( 0.3235294 0.3235294 0.1517333), wk = 0.0030581 k( 257) = ( 0.3382353 0.3382353 0.1320800), wk = 0.0030581 k( 258) = ( 0.3529412 0.3529412 0.1124267), wk = 0.0030581 k( 259) = ( 0.3676471 0.3676471 0.0927733), wk = 0.0030581 k( 260) = ( 0.3823529 0.3823529 0.0731200), wk = 0.0030581 k( 261) = ( 0.3970588 0.3970588 0.0534667), wk = 0.0030581 k( 262) = ( 0.4117647 0.4117647 0.0338133), wk = 0.0030581 k( 263) = ( 0.4264706 0.4264706 0.0141600), wk = 0.0030581 k( 264) = ( 0.4411765 0.4411765 -0.0054934), wk = 0.0030581 k( 265) = ( 0.4558823 0.4558823 -0.0251467), wk = 0.0030581 k( 266) = ( 0.4705882 0.4705882 -0.0448000), wk = 0.0030581 k( 267) = ( 0.4852941 0.4852941 -0.0644534), wk = 0.0030581 k( 268) = ( 0.5000000 0.5000000 -0.0841067), wk = 0.0030581 k( 269) = ( 0.5000000 0.5000000 -0.0841067), wk = 0.0030581 k( 270) = ( 0.5000000 0.5000000 -0.0940089), wk = 0.0030581 k( 271) = ( 0.5000000 0.5000000 -0.1039111), wk = 0.0030581 k( 272) = ( 0.5000000 0.5000000 -0.1138134), wk = 0.0030581 k( 273) = ( 0.5000000 0.5000000 -0.1237156), wk = 0.0030581 k( 274) = ( 0.5000000 0.5000000 -0.1336178), wk = 0.0030581 k( 275) = ( 0.5000000 0.5000000 -0.1435200), wk = 0.0030581 k( 276) = ( 0.5000000 0.5000000 -0.1534222), wk = 0.0030581 k( 277) = ( 0.5000000 0.5000000 -0.1633245), wk = 0.0030581 k( 278) = ( 0.5000000 0.5000000 -0.1732267), wk = 0.0030581 k( 279) = ( 0.5000000 0.5000000 -0.1831289), wk = 0.0030581 k( 280) = ( 0.5000000 0.5000000 -0.1930311), wk = 0.0030581 k( 281) = ( 0.5000000 0.5000000 -0.2029334), wk = 0.0030581 k( 282) = ( 0.5000000 0.5000000 -0.2128356), wk = 0.0030581 k( 283) = ( 0.5000000 0.5000000 -0.2227378), wk = 0.0030581 k( 284) = ( 0.5000000 0.5000000 -0.2326400), wk = 0.0030581 k( 285) = ( 0.5000000 0.5000000 -0.2425422), wk = 0.0030581 k( 286) = ( 0.5000000 0.5000000 -0.2524445), wk = 0.0030581 k( 287) = ( 0.5000000 0.5000000 -0.2623467), wk = 0.0030581 k( 288) = ( 0.5000000 0.5000000 -0.2722489), wk = 0.0030581 k( 289) = ( 0.5000000 0.5000000 -0.2821511), wk = 0.0030581 k( 290) = ( 0.5000000 0.5000000 -0.2920534), wk = 0.0030581 k( 291) = ( 0.5000000 0.5000000 -0.3019556), wk = 0.0030581 k( 292) = ( 0.5000000 0.5000000 -0.3118578), wk = 0.0030581 k( 293) = ( 0.5000000 0.5000000 -0.3217600), wk = 0.0030581 k( 294) = ( 0.5000000 0.5000000 -0.3316622), wk = 0.0030581 k( 295) = ( 0.5000000 0.5000000 -0.3415645), wk = 0.0030581 k( 296) = ( 0.5000000 0.5000000 -0.3514667), wk = 0.0030581 k( 297) = ( 0.5000000 0.5000000 -0.3613689), wk = 0.0030581 k( 298) = ( 0.5000000 0.5000000 -0.3712711), wk = 0.0030581 k( 299) = ( 0.5000000 0.5000000 -0.3811733), wk = 0.0030581 k( 300) = ( 0.5000000 0.5000000 -0.3910756), wk = 0.0030581 k( 301) = ( 0.5000000 0.5000000 -0.4009778), wk = 0.0030581 k( 302) = ( 0.5000000 0.5000000 -0.4108800), wk = 0.0030581 k( 303) = ( 0.5000000 0.5000000 -0.4207822), wk = 0.0030581 k( 304) = ( 0.5000000 0.5000000 -0.4306845), wk = 0.0030581 k( 305) = ( 0.5000000 0.5000000 -0.4405867), wk = 0.0030581 k( 306) = ( 0.5000000 0.5000000 -0.4504889), wk = 0.0030581 k( 307) = ( 0.5000000 0.5000000 -0.4603911), wk = 0.0030581 k( 308) = ( 0.5000000 0.5000000 -0.4702933), wk = 0.0030581 k( 309) = ( 0.5000000 0.5000000 -0.4801956), wk = 0.0030581 k( 310) = ( 0.5000000 0.5000000 -0.4900978), wk = 0.0030581 k( 311) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 313) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030581 k( 314) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030581 k( 315) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030581 k( 316) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030581 k( 317) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030581 k( 318) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030581 k( 319) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030581 k( 320) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030581 k( 321) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030581 k( 322) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030581 k( 323) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030581 k( 324) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030581 k( 325) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030581 k( 326) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030581 k( 327) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 Dense grid: 52329 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 30553 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 222, 48) NL pseudopotentials 0.22 Mb ( 111, 130) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1454) G-vector shells 0.01 Mb ( 679) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 222, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) The potential is recalculated from file : ./SrxAgGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.9 secs Computing kpt #: 24 total cpu time spent up to now is 15.5 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.3 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 19.9 secs Computing kpt #: 33 total cpu time spent up to now is 20.4 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.9 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.9 secs Computing kpt #: 41 total cpu time spent up to now is 24.4 secs Computing kpt #: 42 total cpu time spent up to now is 24.9 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.6 secs Computing kpt #: 50 total cpu time spent up to now is 29.1 secs Computing kpt #: 51 total cpu time spent up to now is 29.6 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 30.6 secs Computing kpt #: 54 total cpu time spent up to now is 31.1 secs Computing kpt #: 55 total cpu time spent up to now is 31.6 secs Computing kpt #: 56 total cpu time spent up to now is 32.1 secs Computing kpt #: 57 total cpu time spent up to now is 32.6 secs Computing kpt #: 58 total cpu time spent up to now is 33.1 secs Computing kpt #: 59 total cpu time spent up to now is 33.7 secs Computing kpt #: 60 total cpu time spent up to now is 34.4 secs Computing kpt #: 61 total cpu time spent up to now is 35.0 secs Computing kpt #: 62 total cpu time spent up to now is 35.5 secs Computing kpt #: 63 total cpu time spent up to now is 36.0 secs Computing kpt #: 64 total cpu time spent up to now is 36.6 secs Computing kpt #: 65 total cpu time spent up to now is 37.1 secs Computing kpt #: 66 total cpu time spent up to now is 37.6 secs Computing kpt #: 67 total cpu time spent up to now is 38.2 secs Computing kpt #: 68 total cpu time spent up to now is 38.7 secs Computing kpt #: 69 total cpu time spent up to now is 39.2 secs Computing kpt #: 70 total cpu time spent up to now is 39.8 secs Computing kpt #: 71 total cpu time spent up to now is 40.3 secs Computing kpt #: 72 total cpu time spent up to now is 40.8 secs Computing kpt #: 73 total cpu time spent up to now is 41.3 secs Computing kpt #: 74 total cpu time spent up to now is 41.9 secs Computing kpt #: 75 total cpu time spent up to now is 42.4 secs Computing kpt #: 76 total cpu time spent up to now is 42.9 secs Computing kpt #: 77 total cpu time spent up to now is 43.4 secs Computing kpt #: 78 total cpu time spent up to now is 44.0 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.0 secs Computing kpt #: 81 total cpu time spent up to now is 45.5 secs Computing kpt #: 82 total cpu time spent up to now is 46.1 secs Computing kpt #: 83 total cpu time spent up to now is 46.6 secs Computing kpt #: 84 total cpu time spent up to now is 47.1 secs Computing kpt #: 85 total cpu time spent up to now is 47.7 secs Computing kpt #: 86 total cpu time spent up to now is 48.2 secs Computing kpt #: 87 total cpu time spent up to now is 48.8 secs Computing kpt #: 88 total cpu time spent up to now is 49.4 secs Computing kpt #: 89 total cpu time spent up to now is 49.9 secs Computing kpt #: 90 total cpu time spent up to now is 50.5 secs Computing kpt #: 91 total cpu time spent up to now is 51.1 secs Computing kpt #: 92 total cpu time spent up to now is 51.7 secs Computing kpt #: 93 total cpu time spent up to now is 52.2 secs Computing kpt #: 94 total cpu time spent up to now is 52.8 secs Computing kpt #: 95 total cpu time spent up to now is 53.4 secs Computing kpt #: 96 total cpu time spent up to now is 53.9 secs Computing kpt #: 97 total cpu time spent up to now is 54.5 secs Computing kpt #: 98 total cpu time spent up to now is 55.1 secs Computing kpt #: 99 total cpu time spent up to now is 55.6 secs Computing kpt #: 100 total cpu time spent up to now is 56.2 secs Computing kpt #: 101 total cpu time spent up to now is 56.8 secs Computing kpt #: 102 total cpu time spent up to now is 57.4 secs Computing kpt #: 103 total cpu time spent up to now is 57.9 secs Computing kpt #: 104 total cpu time spent up to now is 58.5 secs Computing kpt #: 105 total cpu time spent up to now is 59.1 secs Computing kpt #: 106 total cpu time spent up to now is 59.6 secs Computing kpt #: 107 total cpu time spent up to now is 60.2 secs Computing kpt #: 108 total cpu time spent up to now is 60.8 secs Computing kpt #: 109 total cpu time spent up to now is 61.4 secs Computing kpt #: 110 total cpu time spent up to now is 62.0 secs Computing kpt #: 111 total cpu time spent up to now is 62.6 secs Computing kpt #: 112 total cpu time spent up to now is 63.2 secs Computing kpt #: 113 total cpu time spent up to now is 63.8 secs Computing kpt #: 114 total cpu time spent up to now is 64.4 secs Computing kpt #: 115 total cpu time spent up to now is 64.9 secs Computing kpt #: 116 total cpu time spent up to now is 65.5 secs Computing kpt #: 117 total cpu time spent up to now is 66.1 secs Computing kpt #: 118 total cpu time spent up to now is 66.7 secs Computing kpt #: 119 total cpu time spent up to now is 67.2 secs Computing kpt #: 120 total cpu time spent up to now is 67.8 secs Computing kpt #: 121 total cpu time spent up to now is 68.3 secs Computing kpt #: 122 total cpu time spent up to now is 69.1 secs Computing kpt #: 123 total cpu time spent up to now is 69.8 secs Computing kpt #: 124 total cpu time spent up to now is 70.5 secs Computing kpt #: 125 total cpu time spent up to now is 71.0 secs Computing kpt #: 126 total cpu time spent up to now is 71.5 secs Computing kpt #: 127 total cpu time spent up to now is 72.1 secs Computing kpt #: 128 total cpu time spent up to now is 72.6 secs Computing kpt #: 129 total cpu time spent up to now is 73.1 secs Computing kpt #: 130 total cpu time spent up to now is 73.6 secs Computing kpt #: 131 total cpu time spent up to now is 74.1 secs Computing kpt #: 132 total cpu time spent up to now is 74.6 secs Computing kpt #: 133 total cpu time spent up to now is 75.2 secs Computing kpt #: 134 total cpu time spent up to now is 75.7 secs Computing kpt #: 135 total cpu time spent up to now is 76.2 secs Computing kpt #: 136 total cpu time spent up to now is 76.7 secs Computing kpt #: 137 total cpu time spent up to now is 77.2 secs Computing kpt #: 138 total cpu time spent up to now is 77.8 secs Computing kpt #: 139 total cpu time spent up to now is 78.3 secs Computing kpt #: 140 total cpu time spent up to now is 78.9 secs Computing kpt #: 141 total cpu time spent up to now is 79.5 secs Computing kpt #: 142 total cpu time spent up to now is 80.0 secs Computing kpt #: 143 total cpu time spent up to now is 80.6 secs Computing kpt #: 144 total cpu time spent up to now is 81.1 secs Computing kpt #: 145 total cpu time spent up to now is 81.7 secs Computing kpt #: 146 total cpu time spent up to now is 82.3 secs Computing kpt #: 147 total cpu time spent up to now is 82.8 secs Computing kpt #: 148 total cpu time spent up to now is 83.4 secs Computing kpt #: 149 total cpu time spent up to now is 84.1 secs Computing kpt #: 150 total cpu time spent up to now is 84.7 secs Computing kpt #: 151 total cpu time spent up to now is 85.2 secs Computing kpt #: 152 total cpu time spent up to now is 85.8 secs Computing kpt #: 153 total cpu time spent up to now is 86.4 secs Computing kpt #: 154 total cpu time spent up to now is 86.9 secs Computing kpt #: 155 total cpu time spent up to now is 87.4 secs Computing kpt #: 156 total cpu time spent up to now is 88.0 secs Computing kpt #: 157 total cpu time spent up to now is 88.5 secs Computing kpt #: 158 total cpu time spent up to now is 89.0 secs Computing kpt #: 159 total cpu time spent up to now is 89.5 secs Computing kpt #: 160 total cpu time spent up to now is 90.0 secs Computing kpt #: 161 total cpu time spent up to now is 90.6 secs Computing kpt #: 162 total cpu time spent up to now is 91.1 secs Computing kpt #: 163 total cpu time spent up to now is 91.6 secs Computing kpt #: 164 total cpu time spent up to now is 92.1 secs Computing kpt #: 165 total cpu time spent up to now is 92.6 secs Computing kpt #: 166 total cpu time spent up to now is 93.1 secs Computing kpt #: 167 total cpu time spent up to now is 93.7 secs Computing kpt #: 168 total cpu time spent up to now is 94.2 secs Computing kpt #: 169 total cpu time spent up to now is 94.7 secs Computing kpt #: 170 total cpu time spent up to now is 95.2 secs Computing kpt #: 171 total cpu time spent up to now is 95.7 secs Computing kpt #: 172 total cpu time spent up to now is 96.3 secs Computing kpt #: 173 total cpu time spent up to now is 96.8 secs Computing kpt #: 174 total cpu time spent up to now is 97.3 secs Computing kpt #: 175 total cpu time spent up to now is 97.9 secs Computing kpt #: 176 total cpu time spent up to now is 98.4 secs Computing kpt #: 177 total cpu time spent up to now is 99.0 secs Computing kpt #: 178 total cpu time spent up to now is 99.6 secs Computing kpt #: 179 total cpu time spent up to now is 100.2 secs Computing kpt #: 180 total cpu time spent up to now is 100.7 secs Computing kpt #: 181 total cpu time spent up to now is 101.3 secs Computing kpt #: 182 total cpu time spent up to now is 101.8 secs Computing kpt #: 183 total cpu time spent up to now is 102.4 secs Computing kpt #: 184 total cpu time spent up to now is 102.9 secs Computing kpt #: 185 total cpu time spent up to now is 103.5 secs Computing kpt #: 186 total cpu time spent up to now is 104.1 secs Computing kpt #: 187 total cpu time spent up to now is 104.6 secs Computing kpt #: 188 total cpu time spent up to now is 105.1 secs Computing kpt #: 189 total cpu time spent up to now is 105.7 secs Computing kpt #: 190 total cpu time spent up to now is 106.2 secs Computing kpt #: 191 total cpu time spent up to now is 106.8 secs Computing kpt #: 192 total cpu time spent up to now is 107.3 secs Computing kpt #: 193 total cpu time spent up to now is 107.9 secs Computing kpt #: 194 total cpu time spent up to now is 108.5 secs Computing kpt #: 195 total cpu time spent up to now is 109.0 secs Computing kpt #: 196 total cpu time spent up to now is 109.6 secs Computing kpt #: 197 total cpu time spent up to now is 110.2 secs Computing kpt #: 198 total cpu time spent up to now is 110.7 secs Computing kpt #: 199 total cpu time spent up to now is 111.3 secs Computing kpt #: 200 total cpu time spent up to now is 111.9 secs Computing kpt #: 201 total cpu time spent up to now is 112.4 secs Computing kpt #: 202 total cpu time spent up to now is 113.0 secs Computing kpt #: 203 total cpu time spent up to now is 113.5 secs Computing kpt #: 204 total cpu time spent up to now is 114.1 secs Computing kpt #: 205 total cpu time spent up to now is 114.6 secs Computing kpt #: 206 total cpu time spent up to now is 115.1 secs Computing kpt #: 207 total cpu time spent up to now is 115.6 secs Computing kpt #: 208 total cpu time spent up to now is 116.2 secs Computing kpt #: 209 total cpu time spent up to now is 116.7 secs Computing kpt #: 210 total cpu time spent up to now is 117.2 secs Computing kpt #: 211 total cpu time spent up to now is 117.7 secs Computing kpt #: 212 total cpu time spent up to now is 118.2 secs Computing kpt #: 213 total cpu time spent up to now is 118.8 secs Computing kpt #: 214 total cpu time spent up to now is 119.3 secs Computing kpt #: 215 total cpu time spent up to now is 119.8 secs Computing kpt #: 216 total cpu time spent up to now is 120.3 secs Computing kpt #: 217 total cpu time spent up to now is 120.9 secs Computing kpt #: 218 total cpu time spent up to now is 121.4 secs Computing kpt #: 219 total cpu time spent up to now is 121.9 secs Computing kpt #: 220 total cpu time spent up to now is 122.5 secs Computing kpt #: 221 total cpu time spent up to now is 123.0 secs Computing kpt #: 222 total cpu time spent up to now is 123.6 secs Computing kpt #: 223 total cpu time spent up to now is 124.2 secs Computing kpt #: 224 total cpu time spent up to now is 124.8 secs Computing kpt #: 225 total cpu time spent up to now is 125.3 secs Computing kpt #: 226 total cpu time spent up to now is 125.9 secs Computing kpt #: 227 total cpu time spent up to now is 126.4 secs Computing kpt #: 228 total cpu time spent up to now is 127.0 secs Computing kpt #: 229 total cpu time spent up to now is 127.6 secs Computing kpt #: 230 total cpu time spent up to now is 128.2 secs Computing kpt #: 231 total cpu time spent up to now is 128.7 secs Computing kpt #: 232 total cpu time spent up to now is 129.3 secs Computing kpt #: 233 total cpu time spent up to now is 129.9 secs Computing kpt #: 234 total cpu time spent up to now is 130.4 secs Computing kpt #: 235 total cpu time spent up to now is 131.0 secs Computing kpt #: 236 total cpu time spent up to now is 131.6 secs Computing kpt #: 237 total cpu time spent up to now is 132.1 secs Computing kpt #: 238 total cpu time spent up to now is 132.7 secs Computing kpt #: 239 total cpu time spent up to now is 133.3 secs Computing kpt #: 240 total cpu time spent up to now is 133.9 secs Computing kpt #: 241 total cpu time spent up to now is 134.4 secs Computing kpt #: 242 total cpu time spent up to now is 135.1 secs Computing kpt #: 243 total cpu time spent up to now is 135.8 secs Computing kpt #: 244 total cpu time spent up to now is 136.4 secs Computing kpt #: 245 total cpu time spent up to now is 137.0 secs Computing kpt #: 246 total cpu time spent up to now is 137.7 secs Computing kpt #: 247 total cpu time spent up to now is 138.3 secs Computing kpt #: 248 total cpu time spent up to now is 139.0 secs Computing kpt #: 249 total cpu time spent up to now is 139.7 secs Computing kpt #: 250 total cpu time spent up to now is 140.6 secs Computing kpt #: 251 total cpu time spent up to now is 141.5 secs Computing kpt #: 252 total cpu time spent up to now is 142.2 secs Computing kpt #: 253 total cpu time spent up to now is 142.8 secs Computing kpt #: 254 total cpu time spent up to now is 143.5 secs Computing kpt #: 255 total cpu time spent up to now is 144.1 secs Computing kpt #: 256 total cpu time spent up to now is 144.7 secs Computing kpt #: 257 total cpu time spent up to now is 145.2 secs Computing kpt #: 258 total cpu time spent up to now is 145.7 secs Computing kpt #: 259 total cpu time spent up to now is 146.3 secs Computing kpt #: 260 total cpu time spent up to now is 146.8 secs Computing kpt #: 261 total cpu time spent up to now is 147.3 secs Computing kpt #: 262 total cpu time spent up to now is 147.9 secs Computing kpt #: 263 total cpu time spent up to now is 148.4 secs Computing kpt #: 264 total cpu time spent up to now is 148.9 secs Computing kpt #: 265 total cpu time spent up to now is 149.5 secs Computing kpt #: 266 total cpu time spent up to now is 150.0 secs Computing kpt #: 267 total cpu time spent up to now is 150.5 secs Computing kpt #: 268 total cpu time spent up to now is 151.1 secs Computing kpt #: 269 total cpu time spent up to now is 151.6 secs Computing kpt #: 270 total cpu time spent up to now is 152.1 secs Computing kpt #: 271 total cpu time spent up to now is 152.7 secs Computing kpt #: 272 total cpu time spent up to now is 153.2 secs Computing kpt #: 273 total cpu time spent up to now is 153.8 secs Computing kpt #: 274 total cpu time spent up to now is 154.3 secs Computing kpt #: 275 total cpu time spent up to now is 154.8 secs Computing kpt #: 276 total cpu time spent up to now is 155.4 secs Computing kpt #: 277 total cpu time spent up to now is 155.9 secs Computing kpt #: 278 total cpu time spent up to now is 156.5 secs Computing kpt #: 279 total cpu time spent up to now is 157.0 secs Computing kpt #: 280 total cpu time spent up to now is 157.6 secs Computing kpt #: 281 total cpu time spent up to now is 158.1 secs Computing kpt #: 282 total cpu time spent up to now is 158.7 secs Computing kpt #: 283 total cpu time spent up to now is 159.2 secs Computing kpt #: 284 total cpu time spent up to now is 159.8 secs Computing kpt #: 285 total cpu time spent up to now is 160.4 secs Computing kpt #: 286 total cpu time spent up to now is 160.9 secs Computing kpt #: 287 total cpu time spent up to now is 161.5 secs Computing kpt #: 288 total cpu time spent up to now is 162.0 secs Computing kpt #: 289 total cpu time spent up to now is 162.6 secs Computing kpt #: 290 total cpu time spent up to now is 163.1 secs Computing kpt #: 291 total cpu time spent up to now is 163.7 secs Computing kpt #: 292 total cpu time spent up to now is 164.2 secs Computing kpt #: 293 total cpu time spent up to now is 164.8 secs Computing kpt #: 294 total cpu time spent up to now is 165.4 secs Computing kpt #: 295 total cpu time spent up to now is 165.9 secs Computing kpt #: 296 total cpu time spent up to now is 166.5 secs Computing kpt #: 297 total cpu time spent up to now is 167.1 secs Computing kpt #: 298 total cpu time spent up to now is 167.7 secs Computing kpt #: 299 total cpu time spent up to now is 168.2 secs Computing kpt #: 300 total cpu time spent up to now is 168.8 secs Computing kpt #: 301 total cpu time spent up to now is 169.4 secs Computing kpt #: 302 total cpu time spent up to now is 170.0 secs Computing kpt #: 303 total cpu time spent up to now is 170.5 secs Computing kpt #: 304 total cpu time spent up to now is 171.1 secs Computing kpt #: 305 total cpu time spent up to now is 171.6 secs Computing kpt #: 306 total cpu time spent up to now is 172.2 secs Computing kpt #: 307 total cpu time spent up to now is 172.7 secs Computing kpt #: 308 total cpu time spent up to now is 173.2 secs Computing kpt #: 309 total cpu time spent up to now is 173.7 secs Computing kpt #: 310 total cpu time spent up to now is 174.2 secs Computing kpt #: 311 total cpu time spent up to now is 174.7 secs Computing kpt #: 312 total cpu time spent up to now is 175.2 secs Computing kpt #: 313 total cpu time spent up to now is 175.7 secs Computing kpt #: 314 total cpu time spent up to now is 176.3 secs Computing kpt #: 315 total cpu time spent up to now is 176.8 secs Computing kpt #: 316 total cpu time spent up to now is 177.3 secs Computing kpt #: 317 total cpu time spent up to now is 177.8 secs Computing kpt #: 318 total cpu time spent up to now is 178.3 secs Computing kpt #: 319 total cpu time spent up to now is 178.9 secs Computing kpt #: 320 total cpu time spent up to now is 179.4 secs Computing kpt #: 321 total cpu time spent up to now is 179.9 secs Computing kpt #: 322 total cpu time spent up to now is 180.5 secs Computing kpt #: 323 total cpu time spent up to now is 181.1 secs Computing kpt #: 324 total cpu time spent up to now is 181.7 secs Computing kpt #: 325 total cpu time spent up to now is 182.4 secs Computing kpt #: 326 total cpu time spent up to now is 183.1 secs Computing kpt #: 327 total cpu time spent up to now is 183.9 secs ethr = 2.50E-08, avg # of iterations = 16.6 total cpu time spent up to now is 183.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4842 -7.4842 -7.4424 -7.4424 -1.0714 -1.0714 1.5042 1.5042 3.3585 3.3585 3.7614 3.7614 3.7830 3.7830 3.9704 3.9704 4.6786 4.6786 4.8829 4.8829 5.0102 5.0102 5.1021 5.1021 5.2953 5.2953 5.7915 5.7915 5.9351 5.9351 8.5104 8.5104 8.5738 8.5738 10.0224 10.0224 10.1330 10.1330 10.2916 10.2916 12.0053 12.0053 12.4132 12.4132 k = 0.0000 0.0000 0.0199 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4843 -7.4843 -7.4425 -7.4425 -1.0702 -1.0702 1.5043 1.5043 3.3596 3.3596 3.7605 3.7605 3.7844 3.7844 3.9705 3.9705 4.6772 4.6772 4.8800 4.8800 5.0099 5.0099 5.1059 5.1059 5.2955 5.2955 5.7896 5.7896 5.9349 5.9349 8.5085 8.5085 8.5713 8.5713 9.9992 9.9992 10.1036 10.1036 10.3370 10.3370 12.0144 12.0144 12.4215 12.4215 k = 0.0000 0.0000 0.0399 ( 3787 PWs) bands (ev): -25.7745 -25.7745 -8.6013 -8.6013 -7.4844 -7.4844 -7.4429 -7.4429 -1.0667 -1.0667 1.5049 1.5049 3.3627 3.3627 3.7582 3.7582 3.7883 3.7883 3.9708 3.9708 4.6727 4.6727 4.8721 4.8721 5.0089 5.0089 5.1164 5.1164 5.2960 5.2960 5.7840 5.7840 5.9341 5.9341 8.5020 8.5020 8.5646 8.5646 9.9363 9.9363 10.0565 10.0565 10.4260 10.4260 12.0406 12.0406 12.4464 12.4464 k = 0.0000 0.0000 0.0598 ( 3787 PWs) bands (ev): -25.7745 -25.7745 -8.6015 -8.6015 -7.4845 -7.4845 -7.4434 -7.4434 -1.0609 -1.0609 1.5058 1.5058 3.3681 3.3681 3.7553 3.7553 3.7938 3.7938 3.9714 3.9714 4.6653 4.6653 4.8614 4.8614 5.0073 5.0073 5.1312 5.1312 5.2975 5.2975 5.7747 5.7747 5.9328 5.9328 8.4894 8.4894 8.5558 8.5558 9.8541 9.8541 10.0043 10.0043 10.5277 10.5277 12.0816 12.0816 12.4874 12.4874 k = 0.0000 0.0000 0.0797 ( 3795 PWs) bands (ev): -25.7744 -25.7744 -8.6019 -8.6019 -7.4847 -7.4847 -7.4442 -7.4442 -1.0528 -1.0528 1.5071 1.5071 3.3754 3.3754 3.7521 3.7521 3.8005 3.8005 3.9724 3.9724 4.6545 4.6545 4.8498 4.8498 5.0051 5.0051 5.1475 5.1475 5.3006 5.3006 5.7619 5.7619 5.9308 5.9308 8.4688 8.4688 8.5473 8.5473 9.7662 9.7662 9.9428 9.9428 10.6353 10.6353 12.1340 12.1340 12.5438 12.5438 k = 0.0000 0.0000 0.0997 ( 3799 PWs) bands (ev): -25.7744 -25.7744 -8.6023 -8.6023 -7.4849 -7.4849 -7.4453 -7.4453 -1.0425 -1.0425 1.5087 1.5087 3.3847 3.3847 3.7489 3.7489 3.8083 3.8083 3.9738 3.9738 4.6406 4.6406 4.8390 4.8390 5.0023 5.0023 5.1626 5.1626 5.3063 5.3063 5.7457 5.7457 5.9282 5.9282 8.4401 8.4401 8.5400 8.5400 9.6773 9.6773 9.8725 9.8725 10.7471 10.7471 12.1941 12.1941 12.6147 12.6147 k = 0.0000 0.0000 0.1196 ( 3791 PWs) bands (ev): -25.7743 -25.7743 -8.6028 -8.6028 -7.4852 -7.4852 -7.4465 -7.4465 -1.0299 -1.0299 1.5107 1.5107 3.3959 3.3959 3.7456 3.7456 3.8172 3.8172 3.9759 3.9759 4.6240 4.6240 4.8297 4.8297 4.9989 4.9989 5.1743 5.1743 5.3158 5.3158 5.7264 5.7264 5.9249 5.9249 8.4044 8.4044 8.5337 8.5337 9.5891 9.5891 9.7952 9.7952 10.8621 10.8621 12.2581 12.2581 12.6991 12.6991 k = 0.0000 0.0000 0.1395 ( 3787 PWs) bands (ev): -25.7742 -25.7742 -8.6034 -8.6034 -7.4855 -7.4855 -7.4479 -7.4479 -1.0153 -1.0153 1.5131 1.5131 3.4087 3.4087 3.7421 3.7421 3.8270 3.8270 3.9787 3.9787 4.6050 4.6050 4.8223 4.8223 4.9949 4.9949 5.1811 5.1811 5.3293 5.3293 5.7043 5.7043 5.9208 5.9208 8.3634 8.3634 8.5278 8.5278 9.5022 9.5022 9.7132 9.7132 10.9800 10.9800 12.3230 12.3230 12.7959 12.7959 k = 0.0000 0.0000 0.1594 ( 3787 PWs) bands (ev): -25.7741 -25.7741 -8.6041 -8.6041 -7.4859 -7.4859 -7.4495 -7.4495 -0.9986 -0.9986 1.5157 1.5157 3.4230 3.4230 3.7385 3.7385 3.8379 3.8379 3.9823 3.9823 4.5843 4.5843 4.8165 4.8165 4.9902 4.9902 5.1828 5.1828 5.3461 5.3461 5.6799 5.6799 5.9157 5.9157 8.3184 8.3184 8.5217 8.5217 9.4170 9.4170 9.6285 9.6285 11.1006 11.1006 12.3864 12.3864 12.9039 12.9039 k = 0.0000 0.0000 0.1794 ( 3791 PWs) bands (ev): -25.7740 -25.7740 -8.6049 -8.6049 -7.4864 -7.4864 -7.4513 -7.4513 -0.9799 -0.9799 1.5187 1.5187 3.4386 3.4386 3.7347 3.7347 3.8497 3.8497 3.9870 3.9870 4.5626 4.5626 4.8122 4.8122 4.9850 4.9850 5.1804 5.1804 5.3642 5.3642 5.6542 5.6542 5.9098 5.9098 8.2706 8.2706 8.5153 8.5153 9.3335 9.3335 9.5428 9.5428 11.2238 11.2238 12.4464 12.4464 13.0221 13.0221 k = 0.0000 0.0000 0.1993 ( 3781 PWs) bands (ev): -25.7739 -25.7739 -8.6058 -8.6058 -7.4868 -7.4868 -7.4533 -7.4533 -0.9595 -0.9595 1.5219 1.5219 3.4551 3.4551 3.7310 3.7310 3.8628 3.8628 3.9928 3.9928 4.5407 4.5407 4.8090 4.8090 4.9793 4.9793 5.1746 5.1746 5.3813 5.3813 5.6285 5.6285 5.9028 5.9028 8.2209 8.2209 8.5083 8.5083 9.2519 9.2519 9.4575 9.4575 11.3493 11.3493 12.5020 12.5020 13.1421 13.1421 k = 0.0000 0.0000 0.2192 ( 3785 PWs) bands (ev): -25.7738 -25.7738 -8.6067 -8.6067 -7.4873 -7.4873 -7.4554 -7.4554 -0.9373 -0.9373 1.5255 1.5255 3.4721 3.4721 3.7275 3.7275 3.8769 3.8769 3.9997 3.9997 4.5189 4.5189 4.8067 4.8067 4.9729 4.9729 5.1662 5.1662 5.3940 5.3940 5.6053 5.6053 5.8948 5.8948 8.1703 8.1703 8.5007 8.5007 9.1723 9.1723 9.3737 9.3737 11.4772 11.4772 12.5527 12.5527 13.1312 13.1312 k = 0.0000 0.0000 0.2392 ( 3789 PWs) bands (ev): -25.7736 -25.7736 -8.6077 -8.6077 -7.4879 -7.4879 -7.4576 -7.4576 -0.9135 -0.9135 1.5293 1.5293 3.4890 3.4890 3.7245 3.7245 3.8921 3.8921 4.0078 4.0078 4.4977 4.4977 4.8049 4.8049 4.9661 4.9661 5.1555 5.1555 5.3982 5.3982 5.5886 5.5886 5.8856 5.8856 8.1195 8.1195 8.4923 8.4923 9.0945 9.0945 9.2923 9.2923 11.6073 11.6073 12.5985 12.5985 13.1226 13.1226 k = 0.0000 0.0000 0.2591 ( 3797 PWs) bands (ev): -25.7735 -25.7735 -8.6087 -8.6087 -7.4885 -7.4885 -7.4599 -7.4599 -0.8882 -0.8882 1.5334 1.5334 3.5054 3.5054 3.7225 3.7225 3.9085 3.9085 4.0171 4.0171 4.4776 4.4776 4.8035 4.8035 4.9587 4.9587 5.1430 5.1430 5.3903 5.3903 5.5817 5.5817 5.8752 5.8752 8.0689 8.0689 8.4833 8.4833 9.0185 9.0185 9.2139 9.2139 11.7394 11.7394 12.6396 12.6396 13.1167 13.1167 k = 0.0000 0.0000 0.2790 ( 3809 PWs) bands (ev): -25.7733 -25.7733 -8.6098 -8.6098 -7.4892 -7.4892 -7.4624 -7.4624 -0.8617 -0.8617 1.5377 1.5377 3.5203 3.5203 3.7221 3.7221 3.9261 3.9261 4.0275 4.0275 4.4590 4.4590 4.8022 4.8022 4.9506 4.9506 5.1288 5.1288 5.3699 5.3699 5.5851 5.5851 5.8637 5.8637 8.0191 8.0191 8.4735 8.4735 8.9444 8.9444 9.1392 9.1392 11.8736 11.8736 12.6765 12.6765 13.1139 13.1139 k = 0.0000 0.0000 0.2990 ( 3813 PWs) bands (ev): -25.7732 -25.7732 -8.6110 -8.6110 -7.4898 -7.4898 -7.4648 -7.4648 -0.8340 -0.8340 1.5422 1.5422 3.5329 3.5329 3.7241 3.7241 3.9448 3.9448 4.0392 4.0392 4.4422 4.4422 4.8008 4.8008 4.9420 4.9420 5.1128 5.1128 5.3406 5.3406 5.5957 5.5957 5.8510 5.8510 7.9705 7.9705 8.4630 8.4630 8.8721 8.8721 9.0685 9.0685 12.0096 12.0096 12.7095 12.7095 13.1145 13.1145 k = 0.0000 0.0000 0.3189 ( 3817 PWs) bands (ev): -25.7730 -25.7730 -8.6122 -8.6122 -7.4906 -7.4906 -7.4674 -7.4674 -0.8053 -0.8053 1.5469 1.5469 3.5425 3.5425 3.7290 3.7290 3.9644 3.9644 4.0521 4.0521 4.4276 4.4276 4.7991 4.7991 4.9327 4.9327 5.0950 5.0950 5.3065 5.3065 5.6100 5.6100 5.8372 5.8372 7.9233 7.9233 8.4518 8.4518 8.8015 8.8015 9.0021 9.0021 12.1473 12.1473 12.7391 12.7391 13.1186 13.1186 k = 0.0000 0.0000 0.3388 ( 3821 PWs) bands (ev): -25.7728 -25.7728 -8.6134 -8.6134 -7.4913 -7.4913 -7.4699 -7.4699 -0.7758 -0.7758 1.5518 1.5518 3.5486 3.5486 3.7373 3.7373 3.9845 3.9845 4.0662 4.0662 4.4155 4.4155 4.7968 4.7968 4.9226 4.9226 5.0752 5.0752 5.2708 5.2708 5.6256 5.6256 5.8223 5.8223 7.8779 7.8779 8.4401 8.4401 8.7326 8.7326 8.9402 8.9402 12.2864 12.2864 12.7658 12.7658 13.1261 13.1261 k = 0.0000 0.0000 0.3588 ( 3815 PWs) bands (ev): -25.7726 -25.7726 -8.6147 -8.6147 -7.4921 -7.4921 -7.4725 -7.4725 -0.7456 -0.7456 1.5568 1.5568 3.5514 3.5514 3.7487 3.7487 4.0047 4.0047 4.0819 4.0819 4.4063 4.4063 4.7934 4.7934 4.9114 4.9114 5.0534 5.0534 5.2359 5.2359 5.6410 5.6410 5.8064 5.8064 7.8342 7.8342 8.4278 8.4278 8.6654 8.6654 8.8828 8.8828 12.4269 12.4269 12.7899 12.7899 13.1367 13.1367 k = 0.0000 0.0000 0.3787 ( 3815 PWs) bands (ev): -25.7725 -25.7725 -8.6159 -8.6159 -7.4930 -7.4930 -7.4750 -7.4750 -0.7150 -0.7150 1.5620 1.5620 3.5513 3.5513 3.7629 3.7629 4.0239 4.0239 4.0996 4.0996 4.4004 4.4004 4.7881 4.7881 4.8989 4.8989 5.0301 5.0301 5.2035 5.2035 5.6553 5.6553 5.7899 5.7899 7.7925 7.7925 8.4152 8.4152 8.5997 8.5997 8.8298 8.8298 12.5681 12.5681 12.8119 12.8119 13.1498 13.1498 k = 0.0000 0.0000 0.3986 ( 3819 PWs) bands (ev): -25.7723 -25.7723 -8.6172 -8.6172 -7.4940 -7.4940 -7.4775 -7.4775 -0.6842 -0.6842 1.5672 1.5672 3.5491 3.5491 3.7790 3.7790 4.0413 4.0413 4.1196 4.1196 4.3981 4.3981 4.7800 4.7800 4.8849 4.8849 5.0063 5.0063 5.1747 5.1747 5.6676 5.6676 5.7729 5.7729 7.7528 7.7528 8.4023 8.4023 8.5357 8.5357 8.7811 8.7811 12.7086 12.7086 12.8332 12.8332 13.1640 13.1640 k = 0.0000 0.0000 0.4185 ( 3819 PWs) bands (ev): -25.7721 -25.7721 -8.6185 -8.6185 -7.4950 -7.4950 -7.4799 -7.4799 -0.6533 -0.6533 1.5726 1.5726 3.5456 3.5456 3.7964 3.7964 4.0560 4.0560 4.1420 4.1420 4.3997 4.3997 4.7673 4.7673 4.8699 4.8699 4.9838 4.9838 5.1499 5.1499 5.6773 5.6773 5.7562 5.7562 7.7150 7.7150 8.3889 8.3889 8.4736 8.4736 8.7365 8.7365 12.8268 12.8268 12.8754 12.8754 13.1776 13.1776 k = 0.0000 0.0000 0.4385 ( 3823 PWs) bands (ev): -25.7719 -25.7719 -8.6198 -8.6198 -7.4961 -7.4961 -7.4821 -7.4821 -0.6225 -0.6225 1.5780 1.5780 3.5414 3.5414 3.8146 3.8146 4.0680 4.0680 4.1665 4.1665 4.4054 4.4054 4.7481 4.7481 4.8553 4.8553 4.9642 4.9642 5.1288 5.1288 5.6830 5.6830 5.7410 5.7410 7.6793 7.6793 8.3742 8.3742 8.4145 8.4145 8.6954 8.6954 12.8565 12.8565 13.0044 13.0044 13.1873 13.1873 k = 0.0000 0.0000 0.4584 ( 3819 PWs) bands (ev): -25.7717 -25.7717 -8.6211 -8.6211 -7.4974 -7.4974 -7.4842 -7.4842 -0.5921 -0.5921 1.5834 1.5834 3.5370 3.5370 3.8332 3.8332 4.0772 4.0772 4.1920 4.1920 4.4154 4.4154 4.7213 4.7213 4.8428 4.8428 4.9483 4.9483 5.1111 5.1111 5.6824 5.6824 5.7297 5.7297 7.6454 7.6454 8.3436 8.3436 8.3730 8.3730 8.6575 8.6575 12.8711 12.8711 13.1453 13.1453 13.1894 13.1894 k = 0.0000 0.0000 0.4783 ( 3815 PWs) bands (ev): -25.7714 -25.7714 -8.6224 -8.6224 -7.4988 -7.4988 -7.4861 -7.4861 -0.5621 -0.5621 1.5888 1.5888 3.5329 3.5329 3.8519 3.8519 4.0841 4.0841 4.2178 4.2178 4.4293 4.4293 4.6881 4.6881 4.8327 4.8327 4.9357 4.9357 5.0964 5.0964 5.6741 5.6741 5.7238 5.7238 7.6135 7.6135 8.2893 8.2893 8.3573 8.3573 8.6221 8.6221 12.8825 12.8825 13.1736 13.1736 13.2898 13.2898 k = 0.0000 0.0000 0.4983 ( 3819 PWs) bands (ev): -25.7712 -25.7712 -8.6237 -8.6237 -7.5003 -7.5003 -7.4878 -7.4878 -0.5329 -0.5329 1.5942 1.5942 3.5294 3.5294 3.8707 3.8707 4.0888 4.0888 4.2425 4.2425 4.4467 4.4467 4.6512 4.6512 4.8247 4.8247 4.9258 4.9258 5.0843 5.0843 5.6607 5.6607 5.7211 5.7211 7.5834 7.5834 8.2330 8.2330 8.3458 8.3458 8.5887 8.5887 12.8912 12.8912 13.1394 13.1394 13.4311 13.4311 k = 0.0000 0.0000 0.5182 ( 3817 PWs) bands (ev): -25.7710 -25.7710 -8.6250 -8.6250 -7.5020 -7.5020 -7.4893 -7.4893 -0.5044 -0.5044 1.5996 1.5996 3.5268 3.5268 3.8893 3.8893 4.0917 4.0917 4.2654 4.2654 4.4666 4.4666 4.6136 4.6136 4.8182 4.8182 4.9182 4.9182 5.0745 5.0745 5.6456 5.6456 5.7184 5.7184 7.5551 7.5551 8.1774 8.1774 8.3359 8.3359 8.5564 8.5564 12.8968 12.8968 13.0819 13.0819 13.4351 13.4351 k = 0.0000 0.0000 0.5381 ( 3823 PWs) bands (ev): -25.7708 -25.7708 -8.6262 -8.6262 -7.5037 -7.5037 -7.4906 -7.4906 -0.4770 -0.4770 1.6049 1.6049 3.5253 3.5253 3.9078 3.9078 4.0927 4.0927 4.2852 4.2852 4.4869 4.4869 4.5790 4.5790 4.8127 4.8127 4.9125 4.9125 5.0670 5.0670 5.6307 5.6307 5.7142 5.7142 7.5284 7.5284 8.1231 8.1231 8.3275 8.3275 8.5246 8.5246 12.8981 12.8981 13.0039 13.0039 13.3011 13.3011 k = 0.0000 0.0000 0.5581 ( 3825 PWs) bands (ev): -25.7706 -25.7706 -8.6274 -8.6274 -7.5056 -7.5056 -7.4917 -7.4917 -0.4508 -0.4508 1.6101 1.6101 3.5250 3.5250 3.9260 3.9260 4.0917 4.0917 4.3008 4.3008 4.5015 4.5015 4.5552 4.5552 4.8083 4.8083 4.9084 4.9084 5.0616 5.0616 5.6174 5.6174 5.7081 5.7081 7.5034 7.5034 8.0700 8.0700 8.3205 8.3205 8.4924 8.4924 12.8914 12.8914 12.9113 12.9113 13.1822 13.1822 k = 0.0000 0.0000 0.5780 ( 3819 PWs) bands (ev): -25.7704 -25.7704 -8.6285 -8.6285 -7.5075 -7.5075 -7.4926 -7.4926 -0.4258 -0.4258 1.6152 1.6152 3.5261 3.5261 3.9441 3.9441 4.0883 4.0883 4.3109 4.3109 4.4973 4.4973 4.5566 4.5566 4.8049 4.8049 4.9060 4.9060 5.0583 5.0583 5.6064 5.6064 5.6998 5.6998 7.4800 7.4800 8.0182 8.0182 8.3152 8.3152 8.4589 8.4589 12.8087 12.8087 12.8698 12.8698 13.0877 13.0877 k = 0.0000 0.0000 0.5979 ( 3821 PWs) bands (ev): -25.7702 -25.7702 -8.6297 -8.6297 -7.5094 -7.5094 -7.4935 -7.4935 -0.4022 -0.4022 1.6202 1.6202 3.5285 3.5285 3.9618 3.9618 4.0819 4.0819 4.3146 4.3146 4.4855 4.4855 4.5728 4.5728 4.8027 4.8027 4.9051 4.9051 5.0569 5.0569 5.5985 5.5985 5.6895 5.6895 7.4580 7.4580 7.9679 7.9679 8.3116 8.3116 8.4232 8.4232 12.7016 12.7016 12.8216 12.8216 13.0292 13.0292 k = 0.0000 0.0000 0.6179 ( 3825 PWs) bands (ev): -25.7700 -25.7700 -8.6308 -8.6308 -7.5113 -7.5113 -7.4942 -7.4942 -0.3801 -0.3801 1.6250 1.6250 3.5324 3.5324 3.9790 3.9790 4.0719 4.0719 4.3127 4.3127 4.4792 4.4792 4.5900 4.5900 4.8019 4.8019 4.9060 4.9060 5.0573 5.0573 5.5942 5.5942 5.6775 5.6775 7.4374 7.4374 7.9189 7.9189 8.3098 8.3098 8.3845 8.3845 12.5924 12.5924 12.7526 12.7526 13.0025 13.0025 k = 0.0000 0.0000 0.6378 ( 3823 PWs) bands (ev): -25.7698 -25.7698 -8.6318 -8.6318 -7.5131 -7.5131 -7.4948 -7.4948 -0.3595 -0.3595 1.6297 1.6297 3.5377 3.5377 3.9948 3.9948 4.0585 4.0585 4.3084 4.3084 4.4792 4.4792 4.6044 4.6044 4.8023 4.8023 4.9087 4.9087 5.0592 5.0592 5.5936 5.5936 5.6651 5.6651 7.4182 7.4182 7.8714 7.8714 8.3096 8.3096 8.3424 8.3424 12.4831 12.4831 12.6797 12.6797 12.9915 12.9915 k = 0.0000 0.0000 0.6577 ( 3825 PWs) bands (ev): -25.7697 -25.7697 -8.6328 -8.6328 -7.5149 -7.5149 -7.4954 -7.4954 -0.3404 -0.3404 1.6342 1.6342 3.5442 3.5442 4.0052 4.0052 4.0456 4.0456 4.3050 4.3050 4.4831 4.4831 4.6148 4.6148 4.8036 4.8036 4.9133 4.9133 5.0621 5.0621 5.5944 5.5944 5.6557 5.6557 7.4003 7.4003 7.8254 7.8254 8.2938 8.2938 8.3132 8.3132 12.3750 12.3750 12.6130 12.6130 12.9867 12.9867 k = 0.0000 0.0000 0.6777 ( 3825 PWs) bands (ev): -25.7695 -25.7695 -8.6337 -8.6337 -7.5166 -7.5166 -7.4959 -7.4959 -0.3230 -0.3230 1.6385 1.6385 3.5519 3.5519 3.9977 3.9977 4.0467 4.0467 4.3046 4.3046 4.4888 4.4888 4.6213 4.6213 4.8050 4.8050 4.9197 4.9197 5.0656 5.0656 5.5900 5.5900 5.6566 5.6566 7.3836 7.3836 7.7811 7.7811 8.2425 8.2425 8.3162 8.3162 12.2692 12.2692 12.5567 12.5567 12.9845 12.9845 k = 0.0000 0.0000 0.6976 ( 3819 PWs) bands (ev): -25.7693 -25.7693 -8.6346 -8.6346 -7.5182 -7.5182 -7.4963 -7.4963 -0.3071 -0.3071 1.6425 1.6425 3.5607 3.5607 3.9750 3.9750 4.0601 4.0601 4.3078 4.3078 4.4947 4.4947 4.6243 4.6243 4.8060 4.8060 4.9280 4.9280 5.0690 5.0690 5.5763 5.5763 5.6731 5.6731 7.3682 7.3682 7.7384 7.7384 8.1851 8.1851 8.3216 8.3216 12.1664 12.1664 12.5126 12.5126 12.9834 12.9834 k = 0.0000 0.0000 0.7175 ( 3831 PWs) bands (ev): -25.7692 -25.7692 -8.6355 -8.6355 -7.5198 -7.5198 -7.4967 -7.4967 -0.2927 -0.2927 1.6464 1.6464 3.5703 3.5703 3.9475 3.9475 4.0765 4.0765 4.3144 4.3144 4.4999 4.4999 4.6245 4.6245 4.8058 4.8058 4.9380 4.9380 5.0720 5.0720 5.5561 5.5561 5.7026 5.7026 7.3539 7.3539 7.6975 7.6975 8.1220 8.1220 8.3287 8.3287 12.0673 12.0673 12.4812 12.4812 12.9829 12.9829 k = 0.0000 0.0000 0.7374 ( 3831 PWs) bands (ev): -25.7690 -25.7690 -8.6362 -8.6362 -7.5212 -7.5212 -7.4970 -7.4970 -0.2799 -0.2799 1.6500 1.6500 3.5806 3.5806 3.9184 3.9184 4.0938 4.0938 4.3239 4.3239 4.5041 4.5041 4.6228 4.6228 4.8042 4.8042 4.9495 4.9495 5.0741 5.0741 5.5326 5.5326 5.7424 5.7424 7.3407 7.3407 7.6585 7.6585 8.0531 8.0531 8.3372 8.3372 11.9723 11.9723 12.4627 12.4627 12.9827 12.9827 k = 0.0000 0.0000 0.7574 ( 3831 PWs) bands (ev): -25.7689 -25.7689 -8.6370 -8.6370 -7.5226 -7.5226 -7.4973 -7.4973 -0.2685 -0.2685 1.6534 1.6534 3.5913 3.5913 3.8894 3.8894 4.1115 4.1115 4.3357 4.3357 4.5071 4.5071 4.6195 4.6195 4.8010 4.8010 4.9622 4.9622 5.0753 5.0753 5.5071 5.5071 5.7909 5.7909 7.3286 7.3286 7.6215 7.6215 7.9786 7.9786 8.3469 8.3469 11.8821 11.8821 12.4568 12.4568 12.9827 12.9827 k = 0.0000 0.0000 0.7773 ( 3835 PWs) bands (ev): -25.7687 -25.7687 -8.6376 -8.6376 -7.5238 -7.5238 -7.4976 -7.4976 -0.2585 -0.2585 1.6565 1.6565 3.6021 3.6021 3.8610 3.8610 4.1294 4.1294 4.3493 4.3493 4.5089 4.5089 4.6154 4.6154 4.7964 4.7964 4.9758 4.9758 5.0755 5.0755 5.4805 5.4805 5.8472 5.8472 7.3176 7.3176 7.5866 7.5866 7.8989 7.8989 8.3577 8.3577 11.7970 11.7970 12.4628 12.4628 12.9828 12.9828 k = 0.0000 0.0000 0.7972 ( 3835 PWs) bands (ev): -25.7686 -25.7686 -8.6383 -8.6383 -7.5250 -7.5250 -7.4978 -7.4978 -0.2497 -0.2497 1.6594 1.6594 3.6130 3.6130 3.8340 3.8340 4.1473 4.1473 4.3643 4.3643 4.5094 4.5094 4.6106 4.6106 4.7906 4.7906 4.9901 4.9901 5.0750 5.0750 5.4533 5.4533 5.9102 5.9102 7.3076 7.3076 7.5538 7.5538 7.8144 7.8144 8.3690 8.3690 11.7175 11.7175 12.4797 12.4797 12.9832 12.9832 k = 0.0000 0.0000 0.8172 ( 3827 PWs) bands (ev): -25.7685 -25.7685 -8.6388 -8.6388 -7.5260 -7.5260 -7.4980 -7.4980 -0.2422 -0.2422 1.6619 1.6619 3.6235 3.6235 3.8089 3.8089 4.1651 4.1651 4.3800 4.3800 4.5091 4.5091 4.6054 4.6054 4.7839 4.7839 5.0046 5.0046 5.0739 5.0739 5.4261 5.4261 5.9792 5.9792 7.2986 7.2986 7.5234 7.5234 7.7258 7.7258 8.3808 8.3808 11.6439 11.6439 12.5064 12.5064 12.9839 12.9839 k = 0.0000 0.0000 0.8371 ( 3826 PWs) bands (ev): -25.7684 -25.7684 -8.6393 -8.6393 -7.5269 -7.5269 -7.4982 -7.4982 -0.2358 -0.2358 1.6643 1.6643 3.6336 3.6336 3.7857 3.7857 4.1827 4.1827 4.3960 4.3960 4.5080 4.5080 4.6000 4.6000 4.7767 4.7767 5.0191 5.0191 5.0722 5.0722 5.3995 5.3995 6.0535 6.0535 7.2907 7.2907 7.4950 7.4950 7.6340 7.6340 8.3926 8.3926 11.5767 11.5767 12.5412 12.5412 12.9851 12.9851 k = 0.0000 0.0000 0.8570 ( 3834 PWs) bands (ev): -25.7683 -25.7683 -8.6398 -8.6398 -7.5277 -7.5277 -7.4983 -7.4983 -0.2304 -0.2304 1.6664 1.6664 3.6430 3.6430 3.7648 3.7648 4.1999 4.1999 4.4115 4.4115 4.5065 4.5065 4.5945 4.5945 4.7692 4.7692 5.0330 5.0330 5.0702 5.0702 5.3738 5.3738 6.1323 6.1323 7.2836 7.2836 7.4674 7.4674 7.5413 7.5413 8.4041 8.4041 11.5162 11.5162 12.5822 12.5822 12.9868 12.9868 k = 0.0000 0.0000 0.8770 ( 3836 PWs) bands (ev): -25.7682 -25.7682 -8.6401 -8.6401 -7.5284 -7.5284 -7.4985 -7.4985 -0.2259 -0.2259 1.6682 1.6682 3.6514 3.6514 3.7464 3.7464 4.2164 4.2164 4.4257 4.4257 4.5054 4.5054 4.5889 4.5889 4.7620 4.7620 5.0464 5.0464 5.0679 5.0679 5.3497 5.3497 6.2150 6.2150 7.2776 7.2776 7.4230 7.4230 7.4661 7.4661 8.4150 8.4150 11.4629 11.4629 12.6270 12.6270 12.9895 12.9895 k = 0.0000 0.0000 0.8969 ( 3844 PWs) bands (ev): -25.7682 -25.7682 -8.6405 -8.6405 -7.5290 -7.5290 -7.4986 -7.4986 -0.2223 -0.2223 1.6697 1.6697 3.6588 3.6588 3.7307 3.7307 4.2319 4.2319 4.4373 4.4373 4.5056 4.5056 4.5832 4.5832 4.7553 4.7553 5.0586 5.0586 5.0656 5.0656 5.3277 5.3277 6.3008 6.3008 7.2725 7.2725 7.3341 7.3341 7.4373 7.4373 8.4249 8.4249 11.4171 11.4171 12.6727 12.6727 12.9934 12.9934 k = 0.0000 0.0000 0.9168 ( 3840 PWs) bands (ev): -25.7681 -25.7681 -8.6407 -8.6407 -7.5295 -7.5295 -7.4986 -7.4986 -0.2195 -0.2195 1.6709 1.6709 3.6651 3.6651 3.7177 3.7177 4.2458 4.2458 4.4453 4.4453 4.5083 4.5083 4.5775 4.5775 4.7494 4.7494 5.0630 5.0630 5.0698 5.0698 5.3084 5.3084 6.3888 6.3888 7.2368 7.2368 7.2683 7.2683 7.4199 7.4199 8.4335 8.4335 11.3791 11.3791 12.7161 12.7161 12.9986 12.9986 k = 0.0000 0.0000 0.9368 ( 3840 PWs) bands (ev): -25.7680 -25.7680 -8.6409 -8.6409 -7.5299 -7.5299 -7.4987 -7.4987 -0.2173 -0.2173 1.6719 1.6719 3.6701 3.6701 3.7075 3.7075 4.2577 4.2577 4.4493 4.4493 4.5136 4.5136 4.5718 4.5718 4.7446 4.7446 5.0610 5.0610 5.0790 5.0790 5.2924 5.2924 6.4773 6.4773 7.1400 7.1400 7.2651 7.2651 7.4071 7.4071 8.4405 8.4405 11.3492 11.3492 12.7535 12.7535 13.0052 13.0052 k = 0.0000 0.0000 0.9567 ( 3824 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5302 -7.5302 -7.4987 -7.4987 -0.2158 -0.2158 1.6726 1.6726 3.6737 3.6737 3.7002 3.7002 4.2670 4.2670 4.4504 4.4504 4.5203 4.5203 4.5663 4.5663 4.7410 4.7410 5.0593 5.0593 5.0862 5.0862 5.2804 5.2804 6.5632 6.5632 7.0479 7.0479 7.2628 7.2628 7.3980 7.3980 8.4456 8.4456 11.3277 11.3277 12.7820 12.7820 13.0123 13.0123 k = 0.0000 0.0000 0.9766 ( 3816 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4987 -7.4987 -0.2149 -0.2149 1.6730 1.6730 3.6759 3.6759 3.6958 3.6958 4.2729 4.2729 4.4503 4.4503 4.5264 4.5264 4.5616 4.5616 4.7389 4.7389 5.0582 5.0582 5.0907 5.0907 5.2729 5.2729 6.6372 6.6372 6.9701 6.9701 7.2614 7.2614 7.3925 7.3925 8.4488 8.4488 11.3147 11.3147 12.7995 12.7995 13.0180 13.0180 k = 0.0000 0.0000 0.9965 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6732 1.6732 3.6767 3.6767 3.6943 3.6943 4.2749 4.2749 4.4501 4.4501 4.5290 4.5290 4.5596 4.5596 4.7381 4.7381 5.0578 5.0578 5.0922 5.0922 5.2703 5.2703 6.6715 6.6715 6.9345 6.9345 7.2610 7.2610 7.3907 7.3907 8.4499 8.4499 11.3104 11.3104 12.8054 12.8054 13.0202 13.0202 k = 0.0000 0.0000 0.9965 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6732 1.6732 3.6767 3.6767 3.6943 3.6943 4.2749 4.2749 4.4501 4.4501 4.5290 4.5290 4.5596 4.5596 4.7381 4.7381 5.0578 5.0578 5.0922 5.0922 5.2703 5.2703 6.6715 6.6715 6.9345 6.9345 7.2610 7.2610 7.3907 7.3907 8.4499 8.4499 11.3104 11.3104 12.8054 12.8054 13.0202 13.0202 k =-0.0093 0.0161 0.9965 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4988 -7.4988 -0.2144 -0.2144 1.6719 1.6719 3.6778 3.6778 3.6944 3.6944 4.2749 4.2749 4.4499 4.4499 4.5277 4.5277 4.5601 4.5601 4.7383 4.7383 5.0567 5.0567 5.0921 5.0921 5.2682 5.2682 6.6699 6.6699 6.9346 6.9346 7.2655 7.2655 7.3929 7.3929 8.4523 8.4523 11.3106 11.3106 12.8084 12.8084 13.0200 13.0200 k =-0.0187 0.0322 0.9965 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5302 -7.5302 -7.4988 -7.4988 -0.2138 -0.2138 1.6679 1.6679 3.6815 3.6815 3.6947 3.6947 4.2750 4.2750 4.4495 4.4495 4.5241 4.5241 4.5613 4.5613 4.7388 4.7388 5.0535 5.0535 5.0917 5.0917 5.2620 5.2620 6.6650 6.6650 6.9352 6.9352 7.2790 7.2790 7.3993 7.3993 8.4595 8.4595 11.3112 11.3112 12.8174 12.8174 13.0195 13.0195 k =-0.0280 0.0483 0.9965 ( 3832 PWs) bands (ev): -25.7680 -25.7680 -8.6410 -8.6410 -7.5299 -7.5299 -7.4988 -7.4988 -0.2128 -0.2128 1.6614 1.6614 3.6877 3.6877 3.6952 3.6952 4.2749 4.2749 4.4489 4.4489 4.5186 4.5186 4.5631 4.5631 4.7397 4.7397 5.0481 5.0481 5.0909 5.0909 5.2517 5.2517 6.6569 6.6569 6.9362 6.9362 7.3011 7.3011 7.4101 7.4101 8.4715 8.4715 11.3122 11.3122 12.8316 12.8316 13.0187 13.0187 k =-0.0374 0.0644 0.9965 ( 3836 PWs) bands (ev): -25.7681 -25.7681 -8.6408 -8.6408 -7.5295 -7.5295 -7.4989 -7.4989 -0.2114 -0.2114 1.6523 1.6523 3.6956 3.6956 3.6964 3.6964 4.2748 4.2748 4.4480 4.4480 4.5114 4.5114 4.5652 4.5652 4.7408 4.7408 5.0408 5.0408 5.0898 5.0898 5.2380 5.2380 6.6456 6.6456 6.9376 6.9376 7.3317 7.3317 7.4254 7.4254 8.4882 8.4882 11.3137 11.3137 12.8504 12.8504 13.0176 13.0176 k =-0.0467 0.0806 0.9965 ( 3840 PWs) bands (ev): -25.7681 -25.7681 -8.6406 -8.6406 -7.5290 -7.5290 -7.4989 -7.4989 -0.2096 -0.2096 1.6408 1.6408 3.6967 3.6967 3.7071 3.7071 4.2746 4.2746 4.4468 4.4468 4.5028 4.5028 4.5674 4.5674 4.7423 4.7423 5.0316 5.0316 5.0883 5.0883 5.2211 5.2211 6.6312 6.6312 6.9397 6.9397 7.3701 7.3701 7.4453 7.4453 8.5096 8.5096 11.3157 11.3157 12.8723 12.8723 13.0163 13.0163 k =-0.0561 0.0967 0.9965 ( 3848 PWs) bands (ev): -25.7682 -25.7682 -8.6403 -8.6403 -7.5284 -7.5284 -7.4990 -7.4990 -0.2076 -0.2076 1.6269 1.6269 3.6977 3.6977 3.7203 3.7203 4.2740 4.2740 4.4453 4.4453 4.4932 4.4932 4.5698 4.5698 4.7440 4.7440 5.0206 5.0206 5.0862 5.0862 5.2016 5.2016 6.6140 6.6140 6.9423 6.9423 7.4158 7.4158 7.4699 7.4699 8.5355 8.5355 11.3184 11.3184 12.8957 12.8957 13.0148 13.0148 k =-0.0654 0.1128 0.9965 ( 3848 PWs) bands (ev): -25.7683 -25.7683 -8.6400 -8.6400 -7.5277 -7.5277 -7.4990 -7.4990 -0.2053 -0.2053 1.6107 1.6107 3.6989 3.6989 3.7357 3.7357 4.2729 4.2729 4.4434 4.4434 4.4828 4.4828 4.5721 4.5721 4.7459 4.7459 5.0081 5.0081 5.0833 5.0833 5.1804 5.1804 6.5942 6.5942 6.9455 6.9455 7.4679 7.4679 7.4996 7.4996 8.5658 8.5658 11.3218 11.3218 12.9185 12.9185 13.0133 13.0133 k =-0.0748 0.1289 0.9965 ( 3846 PWs) bands (ev): -25.7683 -25.7683 -8.6397 -8.6397 -7.5269 -7.5269 -7.4991 -7.4991 -0.2028 -0.2028 1.5923 1.5923 3.7002 3.7002 3.7532 3.7532 4.2713 4.2713 4.4410 4.4410 4.4722 4.4722 4.5743 4.5743 4.7480 4.7480 4.9942 4.9942 5.0791 5.0791 5.1586 5.1586 6.5723 6.5723 6.9494 6.9494 7.5227 7.5227 7.5374 7.5374 8.6003 8.6003 11.3260 11.3260 12.9383 12.9383 13.0118 13.0118 k =-0.0841 0.1450 0.9965 ( 3846 PWs) bands (ev): -25.7684 -25.7684 -8.6393 -8.6393 -7.5260 -7.5260 -7.4992 -7.4992 -0.2002 -0.2002 1.5719 1.5719 3.7015 3.7015 3.7727 3.7727 4.2690 4.2690 4.4376 4.4376 4.4619 4.4619 4.5764 4.5764 4.7502 4.7502 4.9792 4.9792 5.0724 5.0724 5.1378 5.1378 6.5487 6.5487 6.9540 6.9540 7.5671 7.5671 7.5959 7.5959 8.6391 8.6391 11.3313 11.3313 12.9523 12.9523 13.0104 13.0104 k =-0.0841 0.1450 0.9965 ( 3846 PWs) bands (ev): -25.7684 -25.7684 -8.6393 -8.6393 -7.5260 -7.5260 -7.4992 -7.4992 -0.2002 -0.2002 1.5719 1.5719 3.7015 3.7015 3.7727 3.7727 4.2690 4.2690 4.4376 4.4376 4.4619 4.4619 4.5764 4.5764 4.7502 4.7502 4.9792 4.9792 5.0724 5.0724 5.1378 5.1378 6.5487 6.5487 6.9540 6.9540 7.5671 7.5671 7.5959 7.5959 8.6391 8.6391 11.3313 11.3313 12.9523 12.9523 13.0104 13.0104 k =-0.0910 0.1570 0.9827 ( 3843 PWs) bands (ev): -25.7685 -25.7685 -8.6389 -8.6389 -7.5252 -7.5252 -7.4992 -7.4992 -0.1984 -0.1984 1.5555 1.5555 3.7033 3.7033 3.7879 3.7879 4.2662 4.2662 4.4322 4.4322 4.4565 4.4565 4.5775 4.5775 4.7522 4.7522 4.9678 4.9678 5.0642 5.0642 5.1252 5.1252 6.5202 6.5202 6.9680 6.9680 7.6002 7.6002 7.6466 7.6466 8.6704 8.6704 11.3378 11.3378 12.9545 12.9545 13.0080 13.0080 k =-0.0980 0.1689 0.9689 ( 3842 PWs) bands (ev): -25.7686 -25.7686 -8.6385 -8.6385 -7.5245 -7.5245 -7.4992 -7.4992 -0.1967 -0.1967 1.5382 1.5382 3.7063 3.7063 3.8032 3.8032 4.2623 4.2623 4.4226 4.4226 4.4546 4.4546 4.5779 4.5779 4.7547 4.7547 4.9568 4.9568 5.0526 5.0526 5.1158 5.1158 6.4753 6.4753 6.9979 6.9979 7.6380 7.6380 7.6998 7.6998 8.7044 8.7044 11.3490 11.3490 12.9473 12.9473 13.0005 13.0005 k =-0.1049 0.1809 0.9551 ( 3836 PWs) bands (ev): -25.7687 -25.7687 -8.6381 -8.6381 -7.5238 -7.5238 -7.4989 -7.4989 -0.1951 -0.1951 1.5200 1.5200 3.7107 3.7107 3.8185 3.8185 4.2576 4.2576 4.4106 4.4106 4.4543 4.4543 4.5775 4.5775 4.7576 4.7576 4.9463 4.9463 5.0390 5.0390 5.1084 5.1084 6.4206 6.4206 7.0374 7.0374 7.6806 7.6806 7.7542 7.7542 8.7417 8.7417 11.3648 11.3648 12.9327 12.9327 12.9863 12.9863 k =-0.1118 0.1928 0.9413 ( 3834 PWs) bands (ev): -25.7688 -25.7688 -8.6377 -8.6377 -7.5232 -7.5232 -7.4985 -7.4985 -0.1937 -0.1937 1.5012 1.5012 3.7164 3.7164 3.8338 3.8338 4.2525 4.2525 4.3978 4.3978 4.4542 4.4542 4.5763 4.5763 4.7606 4.7606 4.9366 4.9366 5.0243 5.0243 5.1018 5.1018 6.3604 6.3604 7.0824 7.0824 7.7280 7.7280 7.8090 7.8090 8.7829 8.7829 11.3851 11.3851 12.9113 12.9113 12.9658 12.9658 k =-0.1188 0.2048 0.9275 ( 3832 PWs) bands (ev): -25.7689 -25.7689 -8.6372 -8.6372 -7.5227 -7.5227 -7.4979 -7.4979 -0.1925 -0.1925 1.4817 1.4817 3.7232 3.7232 3.8487 3.8487 4.2472 4.2472 4.3848 4.3848 4.4535 4.4535 4.5743 4.5743 4.7636 4.7636 4.9277 4.9277 5.0095 5.0095 5.0951 5.0951 6.2973 6.2973 7.1306 7.1306 7.7797 7.7797 7.8632 7.8632 8.8287 8.8287 11.4099 11.4099 12.8832 12.8832 12.9408 12.9408 k =-0.1257 0.2167 0.9137 ( 3828 PWs) bands (ev): -25.7690 -25.7690 -8.6367 -8.6367 -7.5224 -7.5224 -7.4970 -7.4970 -0.1914 -0.1914 1.4618 1.4618 3.7312 3.7312 3.8633 3.8633 4.2419 4.2419 4.3722 4.3722 4.4521 4.4521 4.5718 4.5718 4.7661 4.7661 4.9196 4.9196 4.9948 4.9948 5.0879 5.0879 6.2330 6.2330 7.1809 7.1809 7.8351 7.8351 7.9160 7.9160 8.8801 8.8801 11.4389 11.4389 12.8486 12.8486 12.9129 12.9129 k =-0.1326 0.2287 0.8998 ( 3830 PWs) bands (ev): -25.7691 -25.7691 -8.6361 -8.6361 -7.5223 -7.5223 -7.4959 -7.4959 -0.1904 -0.1904 1.4416 1.4416 3.7402 3.7402 3.8772 3.8772 4.2368 4.2368 4.3605 4.3605 4.4499 4.4499 4.5689 4.5689 4.7679 4.7679 4.9126 4.9126 4.9805 4.9805 5.0802 5.0802 6.1683 6.1683 7.2326 7.2326 7.8935 7.8935 7.9667 7.9667 8.9377 8.9377 11.4722 11.4722 12.8086 12.8086 12.8829 12.8829 k =-0.1396 0.2406 0.8860 ( 3824 PWs) bands (ev): -25.7693 -25.7693 -8.6356 -8.6356 -7.5223 -7.5223 -7.4945 -7.4945 -0.1896 -0.1896 1.4211 1.4211 3.7502 3.7502 3.8905 3.8905 4.2317 4.2317 4.3500 4.3500 4.4469 4.4469 4.5658 4.5658 4.7688 4.7688 4.9064 4.9064 4.9665 4.9665 5.0719 5.0719 6.1038 6.1038 7.2856 7.2856 7.9538 7.9538 8.0148 8.0148 9.0021 9.0021 11.5095 11.5095 12.7650 12.7650 12.8509 12.8509 k =-0.1465 0.2526 0.8722 ( 3822 PWs) bands (ev): -25.7694 -25.7694 -8.6350 -8.6350 -7.5226 -7.5226 -7.4928 -7.4928 -0.1889 -0.1889 1.4007 1.4007 3.7611 3.7611 3.9029 3.9029 4.2266 4.2266 4.3411 4.3411 4.4431 4.4431 4.5626 4.5626 4.7684 4.7684 4.9012 4.9012 4.9530 4.9530 5.0632 5.0632 6.0400 6.0400 7.3400 7.3400 8.0146 8.0146 8.0604 8.0604 9.0739 9.0739 11.5508 11.5508 12.7193 12.7193 12.8168 12.8168 k =-0.1534 0.2645 0.8584 ( 3818 PWs) bands (ev): -25.7695 -25.7695 -8.6344 -8.6344 -7.5230 -7.5230 -7.4909 -7.4909 -0.1883 -0.1883 1.3803 1.3803 3.7728 3.7728 3.9144 3.9144 4.2213 4.2213 4.3341 4.3341 4.4389 4.4389 4.5594 4.5594 4.7666 4.7666 4.8967 4.8967 4.9397 4.9397 5.0541 5.0541 5.9773 5.9773 7.3957 7.3957 8.0719 8.0719 8.1066 8.1066 9.1532 9.1532 11.5959 11.5959 12.6729 12.6729 12.7803 12.7803 k =-0.1604 0.2765 0.8446 ( 3818 PWs) bands (ev): -25.7697 -25.7697 -8.6339 -8.6339 -7.5236 -7.5236 -7.4889 -7.4889 -0.1878 -0.1878 1.3601 1.3601 3.7852 3.7852 3.9248 3.9248 4.2156 4.2156 4.3294 4.3294 4.4345 4.4345 4.5564 4.5564 4.7635 4.7635 4.8927 4.8927 4.9265 4.9265 5.0452 5.0452 5.9157 5.9157 7.4528 7.4528 8.1182 8.1182 8.1598 8.1598 9.2400 9.2400 11.6446 11.6446 12.6267 12.6267 12.7416 12.7416 k =-0.1673 0.2884 0.8308 ( 3815 PWs) bands (ev): -25.7698 -25.7698 -8.6333 -8.6333 -7.5243 -7.5243 -7.4867 -7.4867 -0.1874 -0.1874 1.3402 1.3402 3.7983 3.7983 3.9343 3.9343 4.2093 4.2093 4.3268 4.3268 4.4302 4.4302 4.5535 4.5535 4.7591 4.7591 4.8891 4.8891 4.9133 4.9133 5.0365 5.0365 5.8554 5.8554 7.5114 7.5114 8.1534 8.1534 8.2196 8.2196 9.3343 9.3343 11.6968 11.6968 12.5816 12.5816 12.7007 12.7007 k =-0.1742 0.3004 0.8169 ( 3824 PWs) bands (ev): -25.7699 -25.7699 -8.6328 -8.6328 -7.5251 -7.5251 -7.4844 -7.4844 -0.1871 -0.1871 1.3207 1.3207 3.8118 3.8118 3.9427 3.9427 4.2026 4.2026 4.3260 4.3260 4.4263 4.4263 4.5508 4.5508 4.7538 4.7538 4.8853 4.8853 4.9001 4.9001 5.0286 5.0286 5.7966 5.7966 7.5715 7.5715 8.1824 8.1824 8.2807 8.2807 9.4355 9.4355 11.7522 11.7522 12.5383 12.5383 12.6575 12.6575 k =-0.1811 0.3123 0.8031 ( 3828 PWs) bands (ev): -25.7701 -25.7701 -8.6322 -8.6322 -7.5259 -7.5259 -7.4821 -7.4821 -0.1869 -0.1869 1.3017 1.3017 3.8257 3.8257 3.9504 3.9504 4.1956 4.1956 4.3264 4.3264 4.4234 4.4234 4.5485 4.5485 4.7479 4.7479 4.8802 4.8802 4.8876 4.8876 5.0217 5.0217 5.7394 5.7394 7.6329 7.6329 8.2070 8.2070 8.3407 8.3407 9.5434 9.5434 11.8108 11.8108 12.4971 12.4971 12.6123 12.6123 k =-0.1881 0.3243 0.7893 ( 3824 PWs) bands (ev): -25.7702 -25.7702 -8.6317 -8.6317 -7.5267 -7.5267 -7.4797 -7.4797 -0.1868 -0.1868 1.2834 1.2834 3.8397 3.8397 3.9574 3.9574 4.1884 4.1884 4.3274 4.3274 4.4216 4.4216 4.5465 4.5465 4.7418 4.7418 4.8694 4.8694 4.8799 4.8799 5.0159 5.0159 5.6839 5.6839 7.6956 7.6956 8.2282 8.2282 8.3984 8.3984 9.6573 9.6573 11.8723 11.8723 12.4584 12.4584 12.5653 12.5653 k =-0.1950 0.3362 0.7755 ( 3828 PWs) bands (ev): -25.7703 -25.7703 -8.6312 -8.6312 -7.5276 -7.5276 -7.4773 -7.4773 -0.1867 -0.1867 1.2658 1.2658 3.8538 3.8538 3.9639 3.9639 4.1813 4.1813 4.3281 4.3281 4.4213 4.4213 4.5450 4.5450 4.7359 4.7359 4.8549 4.8549 4.8750 4.8750 5.0114 5.0114 5.6299 5.6299 7.7595 7.7595 8.2464 8.2464 8.4529 8.4529 9.7768 9.7768 11.9365 11.9365 12.4225 12.4225 12.5168 12.5168 k =-0.2019 0.3482 0.7617 ( 3820 PWs) bands (ev): -25.7705 -25.7705 -8.6307 -8.6307 -7.5285 -7.5285 -7.4750 -7.4750 -0.1867 -0.1867 1.2490 1.2490 3.8675 3.8675 3.9704 3.9704 4.1745 4.1745 4.3280 4.3280 4.4222 4.4222 4.5442 4.5442 4.7306 4.7306 4.8397 4.8397 4.8701 4.8701 5.0082 5.0082 5.5778 5.5778 7.8244 7.8244 8.2621 8.2621 8.5036 8.5036 9.9014 9.9014 12.0030 12.0030 12.3895 12.3895 12.4672 12.4672 k =-0.2089 0.3601 0.7479 ( 3816 PWs) bands (ev): -25.7706 -25.7706 -8.6302 -8.6302 -7.5294 -7.5294 -7.4727 -7.4727 -0.1867 -0.1867 1.2332 1.2332 3.8807 3.8807 3.9770 3.9770 4.1681 4.1681 4.3269 4.3269 4.4239 4.4239 4.5443 4.5443 4.7262 4.7262 4.8243 4.8243 4.8651 4.8651 5.0059 5.0059 5.5273 5.5273 7.8900 7.8900 8.2757 8.2757 8.5497 8.5497 10.0305 10.0305 12.0715 12.0715 12.3593 12.3593 12.4172 12.4172 k =-0.2158 0.3721 0.7341 ( 3810 PWs) bands (ev): -25.7707 -25.7707 -8.6298 -8.6298 -7.5302 -7.5302 -7.4705 -7.4705 -0.1868 -0.1868 1.2183 1.2183 3.8929 3.8929 3.9843 3.9843 4.1621 4.1621 4.3247 4.3247 4.4256 4.4256 4.5456 4.5456 4.7228 4.7228 4.8094 4.8094 4.8601 4.8601 5.0045 5.0045 5.4786 5.4786 7.9559 7.9559 8.2875 8.2875 8.5906 8.5906 10.1637 10.1637 12.1412 12.1412 12.3318 12.3318 12.3681 12.3681 k =-0.2227 0.3840 0.7202 ( 3806 PWs) bands (ev): -25.7708 -25.7708 -8.6294 -8.6294 -7.5310 -7.5310 -7.4684 -7.4684 -0.1869 -0.1869 1.2045 1.2045 3.9037 3.9037 3.9924 3.9924 4.1568 4.1568 4.3216 4.3216 4.4265 4.4265 4.5481 4.5481 4.7200 4.7200 4.7961 4.7961 4.8552 4.8552 5.0036 5.0036 5.4317 5.4317 8.0219 8.0219 8.2977 8.2977 8.6259 8.6259 10.3005 10.3005 12.2091 12.2091 12.3063 12.3063 12.3239 12.3239 k =-0.2297 0.3960 0.7064 ( 3804 PWs) bands (ev): -25.7709 -25.7709 -8.6290 -8.6290 -7.5318 -7.5318 -7.4664 -7.4664 -0.1870 -0.1870 1.1918 1.1918 3.9129 3.9129 4.0016 4.0016 4.1520 4.1520 4.3178 4.3178 4.4262 4.4262 4.5516 4.5516 4.7169 4.7169 4.7857 4.7857 4.8506 4.8506 5.0032 5.0032 5.3868 5.3868 8.0874 8.0874 8.3065 8.3065 8.6549 8.6549 10.4402 10.4402 12.2420 12.2420 12.2917 12.2917 12.3085 12.3085 k =-0.2366 0.4079 0.6926 ( 3800 PWs) bands (ev): -25.7710 -25.7710 -8.6287 -8.6287 -7.5325 -7.5325 -7.4646 -7.4646 -0.1871 -0.1871 1.1802 1.1802 3.9204 3.9204 4.0119 4.0119 4.1479 4.1479 4.3136 4.3136 4.4245 4.4245 4.5558 4.5558 4.7121 4.7121 4.7802 4.7802 4.8466 4.8466 5.0029 5.0029 5.3437 5.3437 8.1519 8.1519 8.3142 8.3142 8.6774 8.6774 10.5822 10.5822 12.2079 12.2079 12.2728 12.2728 12.3690 12.3690 k =-0.2435 0.4199 0.6788 ( 3798 PWs) bands (ev): -25.7711 -25.7711 -8.6284 -8.6284 -7.5331 -7.5331 -7.4630 -7.4630 -0.1873 -0.1873 1.1699 1.1699 3.9263 3.9263 4.0232 4.0232 4.1442 4.1442 4.3091 4.3091 4.4217 4.4217 4.5603 4.5603 4.7046 4.7046 4.7804 4.7804 4.8437 4.8437 5.0028 5.0028 5.3029 5.3029 8.2147 8.2147 8.3213 8.3213 8.6929 8.6929 10.7257 10.7257 12.1665 12.1665 12.2570 12.2570 12.4366 12.4366 k =-0.2505 0.4318 0.6650 ( 3806 PWs) bands (ev): -25.7712 -25.7712 -8.6281 -8.6281 -7.5337 -7.5337 -7.4615 -7.4615 -0.1874 -0.1874 1.1609 1.1609 3.9308 3.9308 4.0349 4.0349 4.1410 4.1410 4.3044 4.3044 4.4182 4.4182 4.5648 4.5648 4.6951 4.6951 4.7853 4.7853 4.8423 4.8423 5.0024 5.0024 5.2644 5.2644 8.2738 8.2738 8.3291 8.3291 8.7015 8.7015 10.8697 10.8697 12.1273 12.1273 12.2440 12.2440 12.4978 12.4978 k =-0.2574 0.4438 0.6512 ( 3804 PWs) bands (ev): -25.7712 -25.7712 -8.6279 -8.6279 -7.5342 -7.5342 -7.4602 -7.4602 -0.1875 -0.1875 1.1532 1.1532 3.9341 3.9341 4.0466 4.0466 4.1382 4.1382 4.2998 4.2998 4.4143 4.4143 4.5689 4.5689 4.6848 4.6848 4.7923 4.7923 4.8437 4.8437 5.0019 5.0019 5.2289 5.2289 8.3164 8.3164 8.3498 8.3498 8.7030 8.7030 11.0125 11.0125 12.0924 12.0924 12.2335 12.2335 12.5401 12.5401 k =-0.2643 0.4557 0.6374 ( 3802 PWs) bands (ev): -25.7713 -25.7713 -8.6277 -8.6277 -7.5346 -7.5346 -7.4592 -7.4592 -0.1876 -0.1876 1.1469 1.1469 3.9365 3.9365 4.0577 4.0577 4.1356 4.1356 4.2953 4.2953 4.4105 4.4105 4.5726 4.5726 4.6750 4.6750 4.7986 4.7986 4.8490 4.8490 5.0009 5.0009 5.1968 5.1968 8.3277 8.3277 8.3976 8.3976 8.6977 8.6977 11.1517 11.1517 12.0628 12.0628 12.2252 12.2252 12.5410 12.5410 k =-0.2713 0.4677 0.6235 ( 3808 PWs) bands (ev): -25.7713 -25.7713 -8.6276 -8.6276 -7.5349 -7.5349 -7.4584 -7.4584 -0.1877 -0.1877 1.1419 1.1419 3.9381 3.9381 4.0676 4.0676 4.1333 4.1333 4.2914 4.2914 4.4072 4.4072 4.5758 4.5758 4.6664 4.6664 4.8025 4.8025 4.8580 4.8580 4.9993 4.9993 5.1693 5.1693 8.3319 8.3319 8.4472 8.4472 8.6863 8.6863 11.2828 11.2828 12.0394 12.0394 12.2191 12.2191 12.4867 12.4867 k =-0.2782 0.4796 0.6097 ( 3812 PWs) bands (ev): -25.7713 -25.7713 -8.6275 -8.6275 -7.5352 -7.5352 -7.4578 -7.4578 -0.1878 -0.1878 1.1383 1.1383 3.9392 3.9392 4.0756 4.0756 4.1313 4.1313 4.2883 4.2883 4.4047 4.4047 4.5783 4.5783 4.6596 4.6596 4.8043 4.8043 4.8687 4.8687 4.9972 4.9972 5.1478 5.1478 8.3343 8.3343 8.4915 8.4915 8.6700 8.6700 11.3977 11.3977 12.0230 12.0230 12.2150 12.2150 12.4037 12.4037 k =-0.2851 0.4916 0.5959 ( 3808 PWs) bands (ev): -25.7714 -25.7714 -8.6274 -8.6274 -7.5353 -7.5353 -7.4574 -7.4574 -0.1878 -0.1878 1.1362 1.1362 3.9398 3.9398 4.0808 4.0808 4.1299 4.1299 4.2863 4.2863 4.4031 4.4031 4.5800 4.5800 4.6553 4.6553 4.8050 4.8050 4.8774 4.8774 4.9952 4.9952 5.1338 5.1338 8.3357 8.3357 8.5258 8.5258 8.6528 8.6528 11.4814 11.4814 12.0139 12.0139 12.2130 12.2130 12.3307 12.3307 k =-0.2921 0.5035 0.5821 ( 3805 PWs) bands (ev): -25.7714 -25.7714 -8.6274 -8.6274 -7.5354 -7.5354 -7.4573 -7.4573 -0.1878 -0.1878 1.1354 1.1354 3.9400 3.9400 4.0824 4.0824 4.1295 4.1295 4.2856 4.2856 4.4026 4.4026 4.5807 4.5807 4.6537 4.6537 4.8053 4.8053 4.8811 4.8811 4.9942 4.9942 5.1287 5.1287 8.3361 8.3361 8.5396 8.5396 8.6446 8.6446 11.5134 11.5134 12.0112 12.0112 12.2127 12.2127 12.3008 12.3008 k =-0.2921 0.5035 0.5821 ( 3805 PWs) bands (ev): -25.7714 -25.7714 -8.6274 -8.6274 -7.5354 -7.5354 -7.4573 -7.4573 -0.1878 -0.1878 1.1354 1.1354 3.9400 3.9400 4.0824 4.0824 4.1295 4.1295 4.2856 4.2856 4.4026 4.4026 4.5807 4.5807 4.6537 4.6537 4.8053 4.8053 4.8811 4.8811 4.9942 4.9942 5.1287 5.1287 8.3361 8.3361 8.5396 8.5396 8.6446 8.6446 11.5134 11.5134 12.0112 12.0112 12.2127 12.2127 12.3008 12.3008 k =-0.2851 0.4915 0.5682 ( 3807 PWs) bands (ev): -25.7713 -25.7713 -8.6279 -8.6279 -7.5366 -7.5366 -7.4570 -7.4570 -0.1902 -0.1902 1.1649 1.1649 3.9532 3.9532 4.0966 4.0966 4.1407 4.1407 4.2910 4.2910 4.4108 4.4108 4.5642 4.5642 4.6597 4.6597 4.8000 4.8000 4.8577 4.8577 4.9740 4.9740 5.1190 5.1190 8.2441 8.2441 8.4792 8.4792 8.6665 8.6665 11.4283 11.4283 12.0894 12.0894 12.2606 12.2606 12.3044 12.3044 k =-0.2781 0.4795 0.5544 ( 3811 PWs) bands (ev): -25.7713 -25.7713 -8.6283 -8.6283 -7.5376 -7.5376 -7.4567 -7.4567 -0.1948 -0.1948 1.1937 1.1937 3.9641 3.9641 4.1019 4.1019 4.1561 4.1561 4.2947 4.2947 4.4091 4.4091 4.5576 4.5576 4.6672 4.6672 4.7932 4.7932 4.8401 4.8401 4.9520 4.9520 5.1238 5.1238 8.1540 8.1540 8.4209 8.4209 8.6891 8.6891 11.3396 11.3396 12.1687 12.1687 12.3005 12.3005 12.3137 12.3137 k =-0.2712 0.4676 0.5405 ( 3815 PWs) bands (ev): -25.7712 -25.7712 -8.6286 -8.6286 -7.5384 -7.5384 -7.4565 -7.4565 -0.2017 -0.2017 1.2218 1.2218 3.9722 3.9722 4.1011 4.1011 4.1717 4.1717 4.2962 4.2962 4.3995 4.3995 4.5601 4.5601 4.6755 4.6755 4.7817 4.7817 4.8342 4.8342 4.9325 4.9325 5.1376 5.1376 8.0662 8.0662 8.3652 8.3652 8.7123 8.7123 11.2484 11.2484 12.2487 12.2487 12.3014 12.3014 12.3595 12.3595 k =-0.2642 0.4556 0.5267 ( 3819 PWs) bands (ev): -25.7712 -25.7712 -8.6288 -8.6288 -7.5390 -7.5390 -7.4563 -7.4563 -0.2109 -0.2109 1.2490 1.2490 3.9769 3.9769 4.0974 4.0974 4.1825 4.1825 4.2952 4.2952 4.3883 4.3883 4.5673 4.5673 4.6828 4.6828 4.7682 4.7682 4.8391 4.8391 4.9192 4.9192 5.1574 5.1574 7.9806 7.9806 8.3125 8.3125 8.7363 8.7363 11.1551 11.1551 12.2984 12.2984 12.3294 12.3294 12.4059 12.4059 k =-0.2573 0.4436 0.5128 ( 3815 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5393 -7.5393 -7.4561 -7.4561 -0.2224 -0.2224 1.2753 1.2753 3.9780 3.9780 4.0924 4.0924 4.1842 4.1842 4.2920 4.2920 4.3819 4.3819 4.5745 4.5745 4.6875 4.6875 4.7591 4.7591 4.8478 4.8478 4.9172 4.9172 5.1812 5.1812 7.8974 7.8974 8.2631 8.2631 8.7613 8.7613 11.0605 11.0605 12.2956 12.2956 12.4091 12.4091 12.4495 12.4495 k =-0.2503 0.4316 0.4989 ( 3819 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4560 -7.4560 -0.2362 -0.2362 1.3006 1.3006 3.9750 3.9750 4.0871 4.0871 4.1756 4.1756 4.2863 4.2863 4.3839 4.3839 4.5781 4.5781 4.6906 4.6906 4.7563 4.7563 4.8532 4.8532 4.9323 4.9323 5.2083 5.2083 7.8169 7.8169 8.2174 8.2174 8.7872 8.7872 10.9648 10.9648 12.2932 12.2932 12.4796 12.4796 12.4972 12.4972 k =-0.2434 0.4196 0.4851 ( 3819 PWs) bands (ev): -25.7712 -25.7712 -8.6288 -8.6288 -7.5391 -7.5391 -7.4559 -7.4559 -0.2524 -0.2524 1.3247 1.3247 3.9681 3.9681 4.0814 4.0814 4.1592 4.1592 4.2772 4.2772 4.3942 4.3942 4.5758 4.5758 4.6962 4.6962 4.7579 4.7579 4.8560 4.8560 4.9629 4.9629 5.2378 5.2378 7.7393 7.7393 8.1758 8.1758 8.8141 8.8141 10.8686 10.8686 12.2917 12.2917 12.5144 12.5144 12.5731 12.5731 k =-0.2364 0.4076 0.4712 ( 3823 PWs) bands (ev): -25.7712 -25.7712 -8.6286 -8.6286 -7.5387 -7.5387 -7.4559 -7.4559 -0.2707 -0.2707 1.3476 1.3476 3.9579 3.9579 4.0746 4.0746 4.1390 4.1390 4.2649 4.2649 4.4100 4.4100 4.5677 4.5677 4.7063 4.7063 4.7615 4.7615 4.8603 4.8603 5.0037 5.0037 5.2693 5.2693 7.6648 7.6648 8.1386 8.1386 8.8422 8.8422 10.7721 10.7721 12.2917 12.2917 12.5362 12.5362 12.6521 12.6521 k =-0.2295 0.3956 0.4574 ( 3821 PWs) bands (ev): -25.7712 -25.7712 -8.6283 -8.6283 -7.5380 -7.5380 -7.4558 -7.4558 -0.2912 -0.2912 1.3692 1.3692 3.9451 3.9451 4.0654 4.0654 4.1182 4.1182 4.2503 4.2503 4.4284 4.4284 4.5563 4.5563 4.7201 4.7201 4.7662 4.7662 4.8685 4.8685 5.0509 5.0509 5.3025 5.3025 7.5936 7.5936 8.1060 8.1060 8.8716 8.8716 10.6756 10.6756 12.2935 12.2935 12.5469 12.5469 12.7305 12.7305 k =-0.2225 0.3836 0.4435 ( 3829 PWs) bands (ev): -25.7713 -25.7713 -8.6278 -8.6278 -7.5370 -7.5370 -7.4559 -7.4559 -0.3138 -0.3138 1.3894 1.3894 3.9306 3.9306 4.0521 4.0521 4.0993 4.0993 4.2342 4.2342 4.4470 4.4470 4.5441 4.5441 4.7359 4.7359 4.7722 4.7722 4.8810 4.8810 5.1026 5.1026 5.3369 5.3369 7.5261 7.5261 8.0784 8.0784 8.9021 8.9021 10.5792 10.5792 12.2972 12.2972 12.5453 12.5453 12.8076 12.8076 k =-0.2156 0.3716 0.4296 ( 3819 PWs) bands (ev): -25.7713 -25.7713 -8.6273 -8.6273 -7.5358 -7.5358 -7.4559 -7.4559 -0.3382 -0.3382 1.4082 1.4082 3.9152 3.9152 4.0340 4.0340 4.0834 4.0834 4.2176 4.2176 4.4632 4.4632 4.5341 4.5341 4.7524 4.7524 4.7803 4.7803 4.8976 4.8976 5.1574 5.1574 5.3723 5.3723 7.4627 7.4627 8.0560 8.0560 8.9340 8.9340 10.4833 10.4833 12.3031 12.3031 12.5307 12.5307 12.8829 12.8829 k =-0.2086 0.3597 0.4158 ( 3823 PWs) bands (ev): -25.7714 -25.7714 -8.6267 -8.6267 -7.5343 -7.5343 -7.4560 -7.4560 -0.3643 -0.3643 1.4256 1.4256 3.8995 3.8995 4.0120 4.0120 4.0693 4.0693 4.2010 4.2010 4.4732 4.4732 4.5300 4.5300 4.7684 4.7684 4.7911 4.7911 4.9176 4.9176 5.2140 5.2140 5.4083 5.4083 7.4038 7.4038 8.0392 8.0392 8.9673 8.9673 10.3880 10.3880 12.3112 12.3112 12.5031 12.5031 12.9560 12.9560 k =-0.2017 0.3477 0.4019 ( 3823 PWs) bands (ev): -25.7715 -25.7715 -8.6260 -8.6260 -7.5326 -7.5326 -7.4561 -7.4561 -0.3920 -0.3920 1.4415 1.4415 3.8840 3.8840 3.9877 3.9877 4.0557 4.0557 4.1849 4.1849 4.4738 4.4738 4.5353 4.5353 4.7836 4.7836 4.8048 4.8048 4.9409 4.9409 5.2715 5.2715 5.4446 5.4446 7.3501 7.3501 8.0281 8.0281 9.0019 9.0019 10.2934 10.2934 12.3215 12.3215 12.4632 12.4632 13.0264 13.0264 k =-0.1947 0.3357 0.3881 ( 3827 PWs) bands (ev): -25.7716 -25.7716 -8.6252 -8.6252 -7.5307 -7.5307 -7.4563 -7.4563 -0.4212 -0.4212 1.4559 1.4559 3.8690 3.8690 3.9618 3.9618 4.0418 4.0418 4.1695 4.1695 4.4680 4.4680 4.5471 4.5471 4.7982 4.7982 4.8210 4.8210 4.9667 4.9667 5.3288 5.3288 5.4809 5.4809 7.3022 7.3022 8.0232 8.0232 9.0379 9.0379 10.1997 10.1997 12.3342 12.3342 12.4122 12.4122 13.0935 13.0935 k =-0.1877 0.3237 0.3742 ( 3817 PWs) bands (ev): -25.7717 -25.7717 -8.6243 -8.6243 -7.5286 -7.5286 -7.4564 -7.4564 -0.4515 -0.4515 1.4689 1.4689 3.8548 3.8548 3.9347 3.9347 4.0275 4.0275 4.1549 4.1549 4.4603 4.4603 4.5612 4.5612 4.8125 4.8125 4.8392 4.8392 4.9948 4.9948 5.3848 5.3848 5.5170 5.5170 7.2608 7.2608 8.0245 8.0245 9.0752 9.0752 10.1071 10.1071 12.3480 12.3480 12.3531 12.3531 13.1567 13.1567 k =-0.1808 0.3117 0.3603 ( 3815 PWs) bands (ev): -25.7718 -25.7718 -8.6233 -8.6233 -7.5264 -7.5264 -7.4566 -7.4566 -0.4828 -0.4828 1.4804 1.4804 3.8415 3.8415 3.9065 3.9065 4.0131 4.0131 4.1409 4.1409 4.4529 4.4529 4.5758 4.5758 4.8264 4.8264 4.8591 4.8591 5.0247 5.0247 5.4380 5.4380 5.5527 5.5527 7.2270 7.2270 8.0323 8.0323 9.1139 9.1139 10.0156 10.0156 12.2837 12.2837 12.3667 12.3667 13.2153 13.2153 k =-0.1738 0.2997 0.3465 ( 3815 PWs) bands (ev): -25.7719 -25.7719 -8.6223 -8.6223 -7.5239 -7.5239 -7.4568 -7.4568 -0.5149 -0.5149 1.4904 1.4904 3.8291 3.8291 3.8774 3.8774 3.9988 3.9988 4.1275 4.1275 4.4465 4.4465 4.5902 4.5902 4.8398 4.8398 4.8805 4.8805 5.0560 5.0560 5.4872 5.4872 5.5878 5.5878 7.2017 7.2017 8.0468 8.0468 9.1539 9.1539 9.9254 9.9254 12.2098 12.2098 12.3862 12.3862 13.2685 13.2685 k =-0.1669 0.2877 0.3326 ( 3811 PWs) bands (ev): -25.7720 -25.7720 -8.6212 -8.6212 -7.5213 -7.5213 -7.4570 -7.4570 -0.5476 -0.5476 1.4991 1.4991 3.8176 3.8176 3.8477 3.8477 3.9849 3.9849 4.1145 4.1145 4.4418 4.4418 4.6044 4.6044 4.8526 4.8526 4.9031 4.9031 5.0885 5.0885 5.5309 5.5309 5.6222 5.6222 7.1859 7.1859 8.0682 8.0682 9.1952 9.1952 9.8366 9.8366 12.1315 12.1315 12.4079 12.4079 13.3155 13.3155 k =-0.1599 0.2757 0.3188 ( 3805 PWs) bands (ev): -25.7722 -25.7722 -8.6201 -8.6201 -7.5187 -7.5187 -7.4571 -7.4571 -0.5807 -0.5807 1.5064 1.5064 3.8059 3.8059 3.8188 3.8188 3.9716 3.9716 4.1019 4.1019 4.4388 4.4388 4.6182 4.6182 4.8649 4.8649 4.9264 4.9264 5.1220 5.1220 5.5679 5.5679 5.6559 5.6559 7.1806 7.1806 8.0965 8.0965 9.2377 9.2377 9.7494 9.7494 12.0502 12.0502 12.4316 12.4316 13.3550 13.3550 k =-0.1530 0.2637 0.3049 ( 3809 PWs) bands (ev): -25.7723 -25.7723 -8.6190 -8.6190 -7.5159 -7.5159 -7.4573 -7.4573 -0.6140 -0.6140 1.5125 1.5125 3.7836 3.7836 3.8011 3.8011 3.9589 3.9589 4.0895 4.0895 4.4377 4.4377 4.6317 4.6317 4.8766 4.8766 4.9499 4.9499 5.1561 5.1561 5.5975 5.5975 5.6882 5.6882 7.1866 7.1866 8.1318 8.1318 9.2813 9.2813 9.6638 9.6638 11.9671 11.9671 12.4573 12.4573 13.3858 13.3858 k =-0.1460 0.2518 0.2910 ( 3805 PWs) bands (ev): -25.7724 -25.7724 -8.6178 -8.6178 -7.5130 -7.5130 -7.4573 -7.4573 -0.6472 -0.6472 1.5173 1.5173 3.7535 3.7535 3.7920 3.7920 3.9469 3.9469 4.0775 4.0775 4.4386 4.4386 4.6449 4.6449 4.8878 4.8878 4.9734 4.9734 5.1907 5.1907 5.6194 5.6194 5.7186 5.7186 7.2044 7.2044 8.1741 8.1741 9.3258 9.3258 9.5801 9.5801 11.8831 11.8831 12.4848 12.4848 13.4063 13.4063 k =-0.1391 0.2398 0.2772 ( 3807 PWs) bands (ev): -25.7726 -25.7726 -8.6166 -8.6166 -7.5102 -7.5102 -7.4574 -7.4574 -0.6803 -0.6803 1.5211 1.5211 3.7228 3.7228 3.7845 3.7845 3.9356 3.9356 4.0659 4.0659 4.4414 4.4414 4.6579 4.6579 4.8986 4.8986 4.9966 4.9966 5.2254 5.2254 5.6339 5.6339 5.7466 5.7466 7.2341 7.2341 8.2233 8.2233 9.3710 9.3710 9.4986 9.4986 11.7990 11.7990 12.5139 12.5139 13.4148 13.4148 k =-0.1321 0.2278 0.2633 ( 3805 PWs) bands (ev): -25.7727 -25.7727 -8.6154 -8.6154 -7.5073 -7.5073 -7.4573 -7.4573 -0.7129 -0.7129 1.5238 1.5238 3.6923 3.6923 3.7779 3.7779 3.9249 3.9249 4.0547 4.0547 4.4463 4.4463 4.6706 4.6706 4.9089 4.9089 5.0192 5.0192 5.2600 5.2600 5.6413 5.6413 5.7719 5.7719 7.2753 7.2753 8.2794 8.2794 9.4071 9.4071 9.4291 9.4291 11.7154 11.7154 12.5444 12.5444 13.4095 13.4095 k =-0.1252 0.2158 0.2495 ( 3805 PWs) bands (ev): -25.7729 -25.7729 -8.6142 -8.6142 -7.5045 -7.5045 -7.4572 -7.4572 -0.7450 -0.7450 1.5256 1.5256 3.6623 3.6623 3.7722 3.7722 3.9148 3.9148 4.0439 4.0439 4.4530 4.4530 4.6831 4.6831 4.9187 4.9187 5.0411 5.0411 5.2940 5.2940 5.6423 5.6423 5.7946 5.7946 7.3273 7.3273 8.3422 8.3422 9.3391 9.3391 9.4664 9.4664 11.6328 11.6328 12.5760 12.5760 13.3886 13.3886 k =-0.1182 0.2038 0.2356 ( 3801 PWs) bands (ev): -25.7730 -25.7730 -8.6130 -8.6130 -7.5018 -7.5018 -7.4569 -7.4569 -0.7763 -0.7763 1.5265 1.5265 3.6330 3.6330 3.7672 3.7672 3.9052 3.9052 4.0338 4.0338 4.4617 4.4617 4.6954 4.6954 4.9281 4.9281 5.0620 5.0620 5.3267 5.3267 5.6380 5.6380 5.8149 5.8149 7.3890 7.3890 8.4114 8.4114 9.2642 9.2642 9.5134 9.5134 11.5515 11.5515 12.6083 12.6083 13.3510 13.3510 k =-0.1113 0.1918 0.2217 ( 3805 PWs) bands (ev): -25.7732 -25.7732 -8.6118 -8.6118 -7.4993 -7.4993 -7.4566 -7.4566 -0.8068 -0.8068 1.5268 1.5268 3.6045 3.6045 3.7627 3.7627 3.8959 3.8959 4.0243 4.0243 4.4721 4.4721 4.7073 4.7073 4.9371 4.9371 5.0819 5.0819 5.3574 5.3574 5.6300 5.6300 5.8329 5.8329 7.4589 7.4589 8.4868 8.4868 9.1916 9.1916 9.5610 9.5610 11.4719 11.4719 12.6409 12.6409 13.2962 13.2962 k =-0.1043 0.1798 0.2079 ( 3801 PWs) bands (ev): -25.7733 -25.7733 -8.6107 -8.6107 -7.4969 -7.4969 -7.4560 -7.4560 -0.8361 -0.8361 1.5264 1.5264 3.5770 3.5770 3.7590 3.7590 3.8869 3.8869 4.0156 4.0156 4.4841 4.4841 4.7191 4.7191 4.9455 4.9455 5.1005 5.1005 5.3845 5.3845 5.6203 5.6203 5.8488 5.8488 7.5358 7.5358 8.5680 8.5680 9.1216 9.1216 9.6086 9.6086 11.3940 11.3940 12.6733 12.6733 13.2254 13.2254 k =-0.0974 0.1678 0.1940 ( 3797 PWs) bands (ev): -25.7734 -25.7734 -8.6096 -8.6096 -7.4947 -7.4947 -7.4554 -7.4554 -0.8642 -0.8642 1.5254 1.5254 3.5507 3.5507 3.7558 3.7558 3.8782 3.8782 4.0078 4.0078 4.4977 4.4977 4.7306 4.7306 4.9536 4.9536 5.1178 5.1178 5.4058 5.4058 5.6121 5.6121 5.8629 5.8629 7.6182 7.6182 8.6546 8.6546 9.0545 9.0545 9.6561 9.6561 11.3178 11.3178 12.7044 12.7044 13.1405 13.1405 k =-0.0904 0.1559 0.1802 ( 3803 PWs) bands (ev): -25.7736 -25.7736 -8.6085 -8.6085 -7.4927 -7.4927 -7.4545 -7.4545 -0.8910 -0.8910 1.5241 1.5241 3.5257 3.5257 3.7531 3.7531 3.8696 3.8696 4.0008 4.0008 4.5125 4.5125 4.7419 4.7419 4.9611 4.9611 5.1335 5.1335 5.4180 5.4180 5.6090 5.6090 5.8753 5.8753 7.7047 7.7047 8.7461 8.7461 8.9907 8.9907 9.7030 9.7030 11.2434 11.2434 12.7333 12.7333 13.0444 13.0444 k =-0.0834 0.1439 0.1663 ( 3795 PWs) bands (ev): -25.7737 -25.7737 -8.6075 -8.6075 -7.4910 -7.4910 -7.4535 -7.4535 -0.9163 -0.9163 1.5224 1.5224 3.5022 3.5022 3.7511 3.7511 3.8611 3.8611 3.9947 3.9947 4.5284 4.5284 4.7531 4.7531 4.9682 4.9682 5.1476 5.1476 5.4191 5.4191 5.6140 5.6140 5.8861 5.8861 7.7938 7.7938 8.8409 8.8409 8.9317 8.9317 9.7490 9.7490 11.1706 11.1706 12.7578 12.7578 12.9405 12.9405 k =-0.0765 0.1319 0.1525 ( 3793 PWs) bands (ev): -25.7738 -25.7738 -8.6065 -8.6065 -7.4895 -7.4895 -7.4524 -7.4524 -0.9400 -0.9400 1.5205 1.5205 3.4801 3.4801 3.7495 3.7495 3.8527 3.8527 3.9895 3.9895 4.5453 4.5453 4.7642 4.7642 4.9747 4.9747 5.1598 5.1598 5.4097 5.4097 5.6272 5.6272 5.8955 5.8955 7.8842 7.8842 8.8682 8.8682 8.9479 8.9479 9.7937 9.7937 11.0989 11.0989 12.7731 12.7731 12.8344 12.8344 k =-0.0695 0.1199 0.1386 ( 3787 PWs) bands (ev): -25.7739 -25.7739 -8.6056 -8.6056 -7.4883 -7.4883 -7.4512 -7.4512 -0.9620 -0.9620 1.5184 1.5184 3.4597 3.4597 3.7485 3.7485 3.8444 3.8444 3.9851 3.9851 4.5627 4.5627 4.7753 4.7753 4.9808 4.9808 5.1698 5.1698 5.3930 5.3930 5.6458 5.6458 5.9036 5.9036 7.9744 7.9744 8.8169 8.8169 9.0502 9.0502 9.8369 9.8369 11.0281 11.0281 12.7133 12.7133 12.7910 12.7910 k =-0.0626 0.1079 0.1247 ( 3781 PWs) bands (ev): -25.7741 -25.7741 -8.6048 -8.6048 -7.4873 -7.4873 -7.4499 -7.4499 -0.9822 -0.9822 1.5162 1.5162 3.4409 3.4409 3.7480 3.7480 3.8362 3.8362 3.9815 3.9815 4.5803 4.5803 4.7865 4.7865 4.9863 4.9863 5.1769 5.1769 5.3727 5.3727 5.6672 5.6672 5.9105 5.9105 8.0630 8.0630 8.7679 8.7679 9.1575 9.1575 9.8779 9.8779 10.9575 10.9575 12.6042 12.6042 12.7822 12.7822 k =-0.0556 0.0959 0.1109 ( 3779 PWs) bands (ev): -25.7742 -25.7742 -8.6040 -8.6040 -7.4865 -7.4865 -7.4486 -7.4486 -1.0005 -1.0005 1.5141 1.5141 3.4240 3.4240 3.7481 3.7481 3.8281 3.8281 3.9786 3.9786 4.5977 4.5977 4.7980 4.7980 4.9912 4.9912 5.1805 5.1805 5.3518 5.3518 5.6892 5.6892 5.9164 5.9164 8.1485 8.1485 8.7230 8.7230 9.2676 9.2676 9.9165 9.9165 10.8865 10.8865 12.4963 12.4963 12.7558 12.7558 k =-0.0487 0.0839 0.0970 ( 3789 PWs) bands (ev): -25.7742 -25.7742 -8.6034 -8.6034 -7.4858 -7.4858 -7.4474 -7.4474 -1.0168 -1.0168 1.5120 1.5120 3.4088 3.4088 3.7487 3.7487 3.8203 3.8203 3.9762 3.9762 4.6145 4.6145 4.8100 4.8100 4.9956 4.9956 5.1795 5.1795 5.3327 5.3327 5.7105 5.7105 5.9212 5.9212 8.2294 8.2294 8.6827 8.6827 9.3797 9.3797 9.9522 9.9522 10.8143 10.8143 12.3937 12.3937 12.7108 12.7108 k =-0.0417 0.0719 0.0832 ( 3793 PWs) bands (ev): -25.7743 -25.7743 -8.6028 -8.6028 -7.4854 -7.4854 -7.4462 -7.4462 -1.0311 -1.0311 1.5101 1.5101 3.3956 3.3956 3.7498 3.7498 3.8128 3.8128 3.9744 3.9744 4.6302 4.6302 4.8225 4.8225 4.9995 4.9995 5.1732 5.1732 5.3175 5.3175 5.7304 5.7304 5.9253 5.9253 8.3039 8.3039 8.6474 8.6474 9.4928 9.4928 9.9846 9.9846 10.7401 10.7401 12.2988 12.2988 12.6531 12.6531 k =-0.0348 0.0599 0.0693 ( 3793 PWs) bands (ev): -25.7744 -25.7744 -8.6022 -8.6022 -7.4850 -7.4850 -7.4451 -7.4451 -1.0433 -1.0433 1.5084 1.5084 3.3843 3.3843 3.7514 3.7514 3.8057 3.8057 3.9730 3.9730 4.6442 4.6442 4.8354 4.8354 5.0027 5.0027 5.1618 5.1618 5.3070 5.3070 5.7481 5.7481 5.9285 5.9285 8.3702 8.3702 8.6176 8.6176 9.6060 9.6060 10.0133 10.0133 10.6631 10.6631 12.2141 12.2141 12.5914 12.5914 k =-0.0278 0.0480 0.0554 ( 3791 PWs) bands (ev): -25.7744 -25.7744 -8.6018 -8.6018 -7.4847 -7.4847 -7.4442 -7.4442 -1.0534 -1.0534 1.5069 1.5069 3.3751 3.3751 3.7535 3.7535 3.7990 3.7990 3.9719 3.9719 4.6563 4.6563 4.8486 4.8486 5.0054 5.0054 5.1467 5.1467 5.3008 5.3008 5.7632 5.7632 5.9310 5.9310 8.4262 8.4262 8.5940 8.5940 9.7179 9.7179 10.0382 10.0382 10.5828 10.5828 12.1416 12.1416 12.5329 12.5329 k =-0.0209 0.0360 0.0416 ( 3791 PWs) bands (ev): -25.7745 -25.7745 -8.6015 -8.6015 -7.4845 -7.4845 -7.4434 -7.4434 -1.0613 -1.0613 1.5057 1.5057 3.3678 3.3678 3.7559 3.7559 3.7930 3.7930 3.9712 3.9712 4.6660 4.6660 4.8613 4.8613 5.0075 5.0075 5.1305 5.1305 5.2975 5.2975 5.7754 5.7754 5.9328 5.9328 8.4693 8.4693 8.5778 8.5778 9.8259 9.8259 10.0597 10.0597 10.4993 10.4993 12.0831 12.0831 12.4829 12.4829 k =-0.0139 0.0240 0.0277 ( 3779 PWs) bands (ev): -25.7745 -25.7745 -8.6013 -8.6013 -7.4844 -7.4844 -7.4428 -7.4428 -1.0669 -1.0669 1.5049 1.5049 3.3626 3.3626 3.7584 3.7584 3.7880 3.7880 3.9708 3.9708 4.6730 4.6730 4.8724 4.8724 5.0090 5.0090 5.1160 5.1160 5.2961 5.2961 5.7843 5.7843 5.9341 5.9341 8.4966 8.4966 8.5708 8.5708 9.9246 9.9246 10.0802 10.0802 10.4142 10.4142 12.0403 12.0403 12.4449 12.4449 k =-0.0070 0.0120 0.0139 ( 3773 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4843 -7.4843 -7.4425 -7.4425 -1.0703 -1.0703 1.5043 1.5043 3.3595 3.3595 3.7606 3.7606 3.7844 3.7844 3.9705 3.9705 4.6772 4.6772 4.8802 4.8802 5.0099 5.0099 5.1058 5.1058 5.2955 5.2955 5.7897 5.7897 5.9349 5.9349 8.5080 8.5080 8.5720 8.5720 9.9978 9.9978 10.1078 10.1078 10.3344 10.3344 12.0141 12.0141 12.4212 12.4212 k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4842 -7.4842 -7.4424 -7.4424 -1.0714 -1.0714 1.5042 1.5042 3.3585 3.3585 3.7614 3.7614 3.7830 3.7830 3.9704 3.9704 4.6786 4.6786 4.8829 4.8829 5.0102 5.0102 5.1021 5.1021 5.2953 5.2953 5.7915 5.7915 5.9351 5.9351 8.5104 8.5104 8.5738 8.5738 10.0224 10.0224 10.1330 10.1330 10.2916 10.2916 12.0053 12.0053 12.4132 12.4132 k = 0.0000 0.0000 0.0000 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4842 -7.4842 -7.4424 -7.4424 -1.0714 -1.0714 1.5042 1.5042 3.3585 3.3585 3.7614 3.7614 3.7830 3.7830 3.9704 3.9704 4.6786 4.6786 4.8829 4.8829 5.0102 5.0102 5.1021 5.1021 5.2953 5.2953 5.7915 5.7915 5.9351 5.9351 8.5104 8.5104 8.5738 8.5738 10.0224 10.0224 10.1330 10.1330 10.2916 10.2916 12.0053 12.0053 12.4132 12.4132 k = 0.0172 0.0100-0.0000 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4843 -7.4843 -7.4424 -7.4424 -1.0702 -1.0702 1.5015 1.5015 3.3592 3.3592 3.7614 3.7614 3.7830 3.7830 3.9704 3.9704 4.6776 4.6776 4.8828 4.8828 5.0099 5.0099 5.0958 5.0958 5.2953 5.2953 5.7888 5.7888 5.9489 5.9489 8.5081 8.5081 8.5709 8.5709 10.0281 10.0281 10.1380 10.1380 10.2915 10.2915 12.0015 12.0015 12.4169 12.4169 k = 0.0345 0.0200-0.0000 ( 3767 PWs) bands (ev): -25.7745 -25.7745 -8.6011 -8.6011 -7.4844 -7.4844 -7.4424 -7.4424 -1.0665 -1.0665 1.4935 1.4935 3.3611 3.3611 3.7615 3.7615 3.7830 3.7830 3.9705 3.9705 4.6746 4.6746 4.8826 4.8826 5.0089 5.0089 5.0778 5.0778 5.2953 5.2953 5.7830 5.7830 5.9869 5.9869 8.5014 8.5014 8.5622 8.5622 10.0451 10.0451 10.1526 10.1526 10.2912 10.2912 11.9902 11.9902 12.4281 12.4281 k = 0.0517 0.0300-0.0000 ( 3775 PWs) bands (ev): -25.7745 -25.7745 -8.6012 -8.6012 -7.4846 -7.4846 -7.4424 -7.4424 -1.0603 -1.0603 1.4803 1.4803 3.3643 3.3643 3.7615 3.7615 3.7829 3.7829 3.9705 3.9705 4.6694 4.6694 4.8821 4.8821 5.0072 5.0072 5.0510 5.0510 5.2952 5.2952 5.7773 5.7773 6.0436 6.0436 8.4906 8.4906 8.5482 8.5482 10.0728 10.0728 10.1762 10.1762 10.2911 10.2911 11.9720 11.9720 12.4466 12.4466 k = 0.0690 0.0400-0.0000 ( 3814 PWs) bands (ev): -25.7745 -25.7745 -8.6013 -8.6013 -7.4848 -7.4848 -7.4424 -7.4424 -1.0517 -1.0517 1.4621 1.4621 3.3685 3.3685 3.7615 3.7615 3.7829 3.7829 3.9707 3.9707 4.6613 4.6613 4.8811 4.8811 5.0048 5.0048 5.0186 5.0186 5.2950 5.2950 5.7727 5.7727 6.1147 6.1147 8.4761 8.4761 8.5295 8.5295 10.1107 10.1107 10.2072 10.2072 10.2923 10.2923 11.9480 11.9480 12.4725 12.4725 k = 0.0862 0.0500-0.0000 ( 3814 PWs) bands (ev): -25.7745 -25.7745 -8.6014 -8.6014 -7.4852 -7.4852 -7.4423 -7.4423 -1.0407 -1.0407 1.4391 1.4391 3.3737 3.3737 3.7615 3.7615 3.7829 3.7829 3.9710 3.9710 4.6503 4.6503 4.8802 4.8802 4.9840 4.9840 5.0020 5.0020 5.2948 5.2948 5.7693 5.7693 6.1976 6.1976 8.4585 8.4585 8.5071 8.5071 10.1578 10.1578 10.2403 10.2403 10.2996 10.2996 11.9193 11.9193 12.5056 12.5056 k = 0.1034 0.0600-0.0000 ( 3814 PWs) bands (ev): -25.7745 -25.7745 -8.6015 -8.6015 -7.4855 -7.4855 -7.4423 -7.4423 -1.0274 -1.0274 1.4117 1.4117 3.3797 3.3797 3.7616 3.7616 3.7829 3.7829 3.9713 3.9713 4.6357 4.6357 4.8791 4.8791 4.9498 4.9498 4.9986 4.9986 5.2946 5.2946 5.7668 5.7668 6.2903 6.2903 8.4384 8.4384 8.4817 8.4817 10.2131 10.2131 10.2605 10.2605 10.3275 10.3275 11.8869 11.8869 12.5458 12.5458 k = 0.1207 0.0700-0.0000 ( 3814 PWs) bands (ev): -25.7745 -25.7745 -8.6017 -8.6017 -7.4860 -7.4860 -7.4423 -7.4423 -1.0117 -1.0117 1.3803 1.3803 3.3860 3.3860 3.7616 3.7616 3.7829 3.7829 3.9718 3.9718 4.6171 4.6171 4.8778 4.8778 4.9181 4.9181 4.9946 4.9946 5.2944 5.2944 5.7650 5.7650 6.3913 6.3913 8.4163 8.4163 8.4541 8.4541 10.2649 10.2649 10.2760 10.2760 10.3779 10.3779 11.8519 11.8519 12.5930 12.5930 k = 0.1379 0.0800-0.0000 ( 3814 PWs) bands (ev): -25.7745 -25.7745 -8.6018 -8.6018 -7.4865 -7.4865 -7.4422 -7.4422 -0.9938 -0.9938 1.3452 1.3452 3.3927 3.3927 3.7617 3.7617 3.7829 3.7829 3.9724 3.9724 4.5941 4.5941 4.8764 4.8764 4.8903 4.8903 4.9902 4.9902 5.2941 5.2941 5.7636 5.7636 6.4997 6.4997 8.3929 8.3929 8.4250 8.4250 10.2641 10.2641 10.3452 10.3452 10.4398 10.4398 11.8152 11.8152 12.6469 12.6469 k = 0.1552 0.0900-0.0000 ( 3806 PWs) bands (ev): -25.7745 -25.7745 -8.6020 -8.6020 -7.4870 -7.4870 -7.4422 -7.4422 -0.9737 -0.9737 1.3067 1.3067 3.3994 3.3994 3.7618 3.7618 3.7830 3.7830 3.9731 3.9731 4.5672 4.5672 4.8669 4.8669 4.8748 4.8748 4.9854 4.9854 5.2938 5.2938 5.7625 5.7625 6.6147 6.6147 8.3688 8.3688 8.3953 8.3953 10.2616 10.2616 10.4202 10.4202 10.5092 10.5092 11.7777 11.7777 12.7075 12.7075 k = 0.1724 0.1000-0.0000 ( 3798 PWs) bands (ev): -25.7745 -25.7745 -8.6022 -8.6022 -7.4876 -7.4876 -7.4422 -7.4422 -0.9516 -0.9516 1.2654 1.2654 3.4059 3.4059 3.7619 3.7619 3.7830 3.7830 3.9739 3.9739 4.5370 4.5370 4.8480 4.8480 4.8731 4.8731 4.9802 4.9802 5.2936 5.2936 5.7616 5.7616 6.7356 6.7356 8.3442 8.3442 8.3653 8.3653 10.2583 10.2583 10.5002 10.5002 10.5845 10.5845 11.7400 11.7400 12.7745 12.7745 k = 0.1897 0.1100-0.0000 ( 3798 PWs) bands (ev): -25.7745 -25.7745 -8.6024 -8.6024 -7.4882 -7.4882 -7.4421 -7.4421 -0.9274 -0.9274 1.2215 1.2215 3.4120 3.4120 3.7621 3.7621 3.7830 3.7830 3.9749 3.9749 4.5044 4.5044 4.8328 4.8328 4.8712 4.8712 4.9748 4.9748 5.2933 5.2933 5.7609 5.7609 6.8621 6.8621 8.3197 8.3197 8.3357 8.3357 10.2546 10.2546 10.5845 10.5845 10.6647 10.6647 11.7025 11.7025 12.8478 12.8478 k = 0.2069 0.1200-0.0000 ( 3802 PWs) bands (ev): -25.7745 -25.7745 -8.6026 -8.6026 -7.4888 -7.4888 -7.4421 -7.4421 -0.9014 -0.9014 1.1756 1.1756 3.4175 3.4175 3.7623 3.7623 3.7830 3.7830 3.9760 3.9760 4.4707 4.4707 4.8206 4.8206 4.8691 4.8691 4.9691 4.9691 5.2929 5.2929 5.7602 5.7602 6.9937 6.9937 8.2954 8.2954 8.3068 8.3068 10.2507 10.2507 10.6725 10.6725 10.7491 10.7491 11.6658 11.6658 12.9272 12.9272 k = 0.2241 0.1300-0.0000 ( 3806 PWs) bands (ev): -25.7745 -25.7745 -8.6028 -8.6028 -7.4895 -7.4895 -7.4420 -7.4420 -0.8737 -0.8737 1.1280 1.1280 3.4223 3.4223 3.7625 3.7625 3.7829 3.7829 3.9774 3.9774 4.4367 4.4367 4.8107 4.8107 4.8670 4.8670 4.9633 4.9633 5.2925 5.2925 5.7597 5.7597 7.1302 7.1302 8.2714 8.2714 8.2792 8.2792 10.2467 10.2467 10.7636 10.7636 10.8372 10.8372 11.6300 11.6300 13.0124 13.0124 k = 0.2414 0.1400-0.0000 ( 3794 PWs) bands (ev): -25.7745 -25.7745 -8.6031 -8.6031 -7.4901 -7.4901 -7.4420 -7.4420 -0.8444 -0.8444 1.0790 1.0790 3.4263 3.4263 3.7627 3.7627 3.7830 3.7830 3.9790 3.9790 4.4032 4.4032 4.8027 4.8027 4.8648 4.8648 4.9575 4.9575 5.2921 5.2921 5.7593 5.7593 7.2711 7.2711 8.2474 8.2474 8.2538 8.2538 10.2428 10.2428 10.8572 10.8572 10.9283 10.9283 11.5955 11.5955 13.1032 13.1032 k = 0.2586 0.1500-0.0000 ( 3794 PWs) bands (ev): -25.7745 -25.7745 -8.6033 -8.6033 -7.4908 -7.4908 -7.4419 -7.4419 -0.8137 -0.8137 1.0291 1.0291 3.4295 3.4295 3.7630 3.7630 3.7829 3.7829 3.9808 3.9808 4.3708 4.3708 4.7960 4.7960 4.8626 4.8626 4.9516 4.9516 5.2917 5.2917 5.7588 5.7588 7.4163 7.4163 8.2232 8.2232 8.2311 8.2311 10.2389 10.2389 10.9527 10.9527 11.0218 11.0218 11.5624 11.5624 13.0863 13.0863 k = 0.2759 0.1600-0.0000 ( 3806 PWs) bands (ev): -25.7745 -25.7745 -8.6035 -8.6035 -7.4915 -7.4915 -7.4419 -7.4419 -0.7818 -0.7818 0.9788 0.9788 3.4317 3.4317 3.7632 3.7632 3.7828 3.7828 3.9828 3.9828 4.3398 4.3398 4.7903 4.7903 4.8604 4.8604 4.9456 4.9456 5.2913 5.2913 5.7584 5.7584 7.5655 7.5655 8.1996 8.1996 8.2105 8.2105 10.2352 10.2352 11.0495 11.0495 11.1172 11.1172 11.5307 11.5307 12.9180 12.9180 k = 0.2931 0.1700-0.0000 ( 3822 PWs) bands (ev): -25.7745 -25.7745 -8.6038 -8.6038 -7.4921 -7.4921 -7.4418 -7.4418 -0.7489 -0.7489 0.9283 0.9283 3.4331 3.4331 3.7635 3.7635 3.7827 3.7827 3.9850 3.9850 4.3106 4.3106 4.7853 4.7853 4.8581 4.8581 4.9398 4.9398 5.2909 5.2909 5.7581 5.7581 7.7181 7.7181 8.1773 8.1773 8.1915 8.1915 10.2316 10.2316 11.1469 11.1469 11.2137 11.2137 11.5004 11.5004 12.7335 12.7335 k = 0.3103 0.1800-0.0000 ( 3818 PWs) bands (ev): -25.7745 -25.7745 -8.6040 -8.6040 -7.4928 -7.4928 -7.4418 -7.4418 -0.7154 -0.7154 0.8781 0.8781 3.4336 3.4336 3.7638 3.7638 3.7826 3.7826 3.9876 3.9876 4.2834 4.2834 4.7811 4.7811 4.8559 4.8559 4.9342 4.9342 5.2906 5.2906 5.7578 5.7578 7.8740 7.8740 8.1566 8.1566 8.1741 8.1741 10.2282 10.2282 11.2441 11.2441 11.3107 11.3107 11.4713 11.4713 12.5403 12.5403 k = 0.3276 0.1900-0.0000 ( 3818 PWs) bands (ev): -25.7744 -25.7744 -8.6042 -8.6042 -7.4934 -7.4934 -7.4418 -7.4418 -0.6815 -0.6815 0.8287 0.8287 3.4333 3.4333 3.7641 3.7641 3.7826 3.7826 3.9905 3.9905 4.2582 4.2582 4.7773 4.7773 4.8539 4.8539 4.9288 4.9288 5.2903 5.2903 5.7575 5.7575 8.0324 8.0324 8.1377 8.1377 8.1582 8.1582 10.2251 10.2251 11.3401 11.3401 11.4074 11.4074 11.4430 11.4430 12.3438 12.3438 k = 0.3448 0.2000-0.0000 ( 3818 PWs) bands (ev): -25.7744 -25.7744 -8.6044 -8.6044 -7.4939 -7.4939 -7.4417 -7.4417 -0.6477 -0.6477 0.7806 0.7806 3.4324 3.4324 3.7644 3.7644 3.7825 3.7825 3.9936 3.9936 4.2352 4.2352 4.7740 4.7740 4.8519 4.8519 4.9236 4.9236 5.2899 5.2899 5.7573 5.7573 8.1197 8.1197 8.1439 8.1439 8.1941 8.1941 10.2222 10.2222 11.4131 11.4131 11.4350 11.4350 11.5027 11.5027 12.1485 12.1485 k = 0.3621 0.2100-0.0000 ( 3814 PWs) bands (ev): -25.7744 -25.7744 -8.6046 -8.6046 -7.4945 -7.4945 -7.4417 -7.4417 -0.6144 -0.6144 0.7343 0.7343 3.4310 3.4310 3.7647 3.7647 3.7825 3.7825 3.9970 3.9970 4.2143 4.2143 4.7711 4.7711 4.8500 4.8500 4.9190 4.9190 5.2896 5.2896 5.7571 5.7571 8.1046 8.1046 8.1311 8.1311 8.3559 8.3559 10.2196 10.2196 11.3827 11.3827 11.5233 11.5233 11.5956 11.5956 11.9603 11.9603 k = 0.3793 0.2200-0.0000 ( 3822 PWs) bands (ev): -25.7744 -25.7744 -8.6047 -8.6047 -7.4949 -7.4949 -7.4416 -7.4416 -0.5821 -0.5821 0.6904 0.6904 3.4292 3.4292 3.7649 3.7649 3.7824 3.7824 4.0005 4.0005 4.1956 4.1956 4.7685 4.7685 4.8483 4.8483 4.9146 4.9146 5.2892 5.2892 5.7569 5.7569 8.0910 8.0910 8.1198 8.1198 8.5183 8.5183 10.2173 10.2173 11.3438 11.3438 11.6000 11.6000 11.6847 11.6847 11.7930 11.7930 k = 0.3966 0.2300-0.0000 ( 3822 PWs) bands (ev): -25.7744 -25.7744 -8.6049 -8.6049 -7.4954 -7.4954 -7.4416 -7.4416 -0.5516 -0.5516 0.6497 0.6497 3.4272 3.4272 3.7652 3.7652 3.7823 3.7823 4.0042 4.0042 4.1790 4.1790 4.7663 4.7663 4.8468 4.8468 4.9108 4.9108 5.2890 5.2890 5.7567 5.7567 8.0792 8.0792 8.1101 8.1101 8.6795 8.6795 10.2152 10.2152 11.2850 11.2850 11.5936 11.5936 11.7303 11.7303 11.7686 11.7686 k = 0.4138 0.2400-0.0000 ( 3814 PWs) bands (ev): -25.7744 -25.7744 -8.6050 -8.6050 -7.4957 -7.4957 -7.4416 -7.4416 -0.5235 -0.5235 0.6129 0.6129 3.4252 3.4252 3.7655 3.7655 3.7823 3.7823 4.0079 4.0079 4.1646 4.1646 4.7644 4.7644 4.8455 4.8455 4.9074 4.9074 5.2888 5.2888 5.7566 5.7566 8.0692 8.0692 8.1019 8.1019 8.8372 8.8372 10.2135 10.2135 11.1893 11.1893 11.5082 11.5082 11.7864 11.7864 11.8451 11.8451 k = 0.4310 0.2500-0.0000 ( 3830 PWs) bands (ev): -25.7744 -25.7744 -8.6051 -8.6051 -7.4961 -7.4961 -7.4416 -7.4416 -0.4988 -0.4988 0.5810 0.5810 3.4232 3.4232 3.7657 3.7657 3.7822 3.7822 4.0113 4.0113 4.1524 4.1524 4.7629 4.7629 4.8444 4.8444 4.9046 4.9046 5.2886 5.2886 5.7564 5.7564 8.0611 8.0611 8.0952 8.0952 8.9876 8.9876 10.2121 10.2121 11.0615 11.0615 11.4549 11.4549 11.8475 11.8475 11.9123 11.9123 k = 0.4483 0.2600-0.0000 ( 3830 PWs) bands (ev): -25.7744 -25.7744 -8.6052 -8.6052 -7.4963 -7.4963 -7.4415 -7.4415 -0.4782 -0.4782 0.5548 0.5548 3.4215 3.4215 3.7659 3.7659 3.7821 3.7821 4.0145 4.0145 4.1427 4.1427 4.7618 4.7618 4.8436 4.8436 4.9024 4.9024 5.2884 5.2884 5.7563 5.7563 8.0548 8.0548 8.0900 8.0900 9.1248 9.1248 10.2109 10.2109 10.9275 10.9275 11.4260 11.4260 11.8995 11.8995 11.9680 11.9680 k = 0.4655 0.2700-0.0000 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6053 -8.6053 -7.4965 -7.4965 -7.4415 -7.4415 -0.4628 -0.4628 0.5354 0.5354 3.4202 3.4202 3.7660 3.7660 3.7820 3.7820 4.0170 4.0170 4.1355 4.1355 4.7609 4.7609 4.8430 4.8430 4.9007 4.9007 5.2883 5.2883 5.7562 5.7562 8.0503 8.0503 8.0863 8.0863 9.2396 9.2396 10.2101 10.2101 10.8100 10.8100 11.4098 11.4098 11.9388 11.9388 12.0098 12.0098 k = 0.4828 0.2800-0.0000 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6053 -8.6053 -7.4966 -7.4966 -7.4415 -7.4415 -0.4531 -0.4531 0.5233 0.5233 3.4194 3.4194 3.7660 3.7660 3.7820 3.7820 4.0187 4.0187 4.1310 4.1310 4.7604 4.7604 4.8427 4.8427 4.8997 4.8997 5.2883 5.2883 5.7562 5.7562 8.0476 8.0476 8.0841 8.0841 9.3185 9.3185 10.2097 10.2097 10.7281 10.7281 11.4014 11.4014 11.9633 11.9633 12.0358 12.0358 k = 0.5000 0.2900-0.0000 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6053 -8.6053 -7.4966 -7.4966 -7.4415 -7.4415 -0.4498 -0.4498 0.5192 0.5192 3.4192 3.4192 3.7660 3.7660 3.7820 3.7820 4.0193 4.0193 4.1294 4.1294 4.7602 4.7602 4.8426 4.8426 4.8995 4.8995 5.2882 5.2882 5.7562 5.7562 8.0467 8.0467 8.0833 8.0833 9.3470 9.3470 10.2095 10.2095 10.6983 10.6983 11.3988 11.3988 11.9716 11.9716 12.0447 12.0447 k = 0.5000 0.2900-0.0000 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6053 -8.6053 -7.4966 -7.4966 -7.4415 -7.4415 -0.4498 -0.4498 0.5192 0.5192 3.4192 3.4192 3.7660 3.7660 3.7820 3.7820 4.0193 4.0193 4.1294 4.1294 4.7602 4.7602 4.8426 4.8426 4.8995 4.8995 5.2882 5.2882 5.7562 5.7562 8.0467 8.0467 8.0833 8.0833 9.3470 9.3470 10.2095 10.2095 10.6983 10.6983 11.3988 11.3988 11.9716 11.9716 12.0447 12.0447 k = 0.4931 0.3020 0.0138 ( 3828 PWs) bands (ev): -25.7744 -25.7744 -8.6054 -8.6054 -7.4966 -7.4966 -7.4416 -7.4416 -0.4492 -0.4492 0.5201 0.5201 3.4200 3.4200 3.7657 3.7657 3.7832 3.7832 4.0194 4.0194 4.1301 4.1301 4.7601 4.7601 4.8421 4.8421 4.8995 4.8995 5.2877 5.2877 5.7543 5.7543 8.0397 8.0397 8.0792 8.0792 9.3475 9.3475 10.2175 10.2175 10.6945 10.6945 11.4063 11.4063 11.9704 11.9704 12.0434 12.0434 k = 0.4861 0.3139 0.0276 ( 3828 PWs) bands (ev): -25.7744 -25.7744 -8.6055 -8.6055 -7.4967 -7.4967 -7.4420 -7.4420 -0.4473 -0.4473 0.5227 0.5227 3.4226 3.4226 3.7649 3.7649 3.7863 3.7863 4.0199 4.0199 4.1320 4.1320 4.7596 4.7596 4.8405 4.8405 4.8996 4.8996 5.2859 5.2859 5.7487 5.7487 8.0097 8.0097 8.0767 8.0767 9.3490 9.3490 10.2406 10.2406 10.6830 10.6830 11.4287 11.4287 11.9666 11.9666 12.0404 12.0404 k = 0.4792 0.3259 0.0414 ( 3820 PWs) bands (ev): -25.7743 -25.7743 -8.6057 -8.6057 -7.4967 -7.4967 -7.4425 -7.4425 -0.4441 -0.4441 0.5271 0.5271 3.4271 3.4271 3.7641 3.7641 3.7910 3.7910 4.0208 4.0208 4.1350 4.1350 4.7588 4.7588 4.8381 4.8381 4.8998 4.8998 5.2829 5.2829 5.7395 5.7395 7.9534 7.9534 8.0814 8.0814 9.3511 9.3511 10.2765 10.2765 10.6638 10.6638 11.4661 11.4661 11.9596 11.9596 12.0371 12.0371 k = 0.4723 0.3378 0.0553 ( 3808 PWs) bands (ev): -25.7743 -25.7743 -8.6060 -8.6060 -7.4968 -7.4968 -7.4432 -7.4432 -0.4397 -0.4397 0.5332 0.5332 3.4331 3.4331 3.7638 3.7638 3.7966 3.7966 4.0220 4.0220 4.1393 4.1393 4.7577 4.7577 4.8348 4.8348 4.8999 4.8999 5.2788 5.2788 5.7267 5.7267 7.8767 7.8767 8.0905 8.0905 9.3536 9.3536 10.3222 10.3222 10.6366 10.6366 11.5184 11.5184 11.9490 11.9490 12.0351 12.0351 k = 0.4653 0.3498 0.0691 ( 3812 PWs) bands (ev): -25.7742 -25.7742 -8.6063 -8.6063 -7.4970 -7.4970 -7.4442 -7.4442 -0.4340 -0.4340 0.5410 0.5410 3.4408 3.4408 3.7641 3.7641 3.8032 3.8032 4.0238 4.0238 4.1444 4.1444 4.7563 4.7563 4.8308 4.8308 4.8998 4.8998 5.2734 5.2734 5.7106 5.7106 7.7840 7.7840 8.1027 8.1027 9.3560 9.3560 10.3743 10.3743 10.6012 10.6012 11.5851 11.5851 11.9358 11.9358 12.0352 12.0352 k = 0.4584 0.3617 0.0829 ( 3809 PWs) bands (ev): -25.7742 -25.7742 -8.6068 -8.6068 -7.4971 -7.4971 -7.4453 -7.4453 -0.4273 -0.4273 0.5505 0.5505 3.4502 3.4502 3.7652 3.7652 3.8106 3.8106 4.0263 4.0263 4.1504 4.1504 4.7546 4.7546 4.8262 4.8262 4.8994 4.8994 5.2668 5.2668 5.6915 5.6915 7.6790 7.6790 8.1175 8.1175 9.3581 9.3581 10.4300 10.4300 10.5578 10.5578 11.6655 11.6655 11.9216 11.9216 12.0375 12.0375 k = 0.4515 0.3737 0.0967 ( 3813 PWs) bands (ev): -25.7741 -25.7741 -8.6073 -8.6073 -7.4974 -7.4974 -7.4465 -7.4465 -0.4194 -0.4194 0.5617 0.5617 3.4612 3.4612 3.7670 3.7670 3.8187 3.8187 4.0295 4.0295 4.1572 4.1572 4.7525 4.7525 4.8212 4.8212 4.8987 4.8987 5.2591 5.2591 5.6694 5.6694 7.5648 7.5648 8.1346 8.1346 9.3595 9.3595 10.4834 10.4834 10.5102 10.5102 11.7577 11.7577 11.9087 11.9087 12.0416 12.0416 k = 0.4445 0.3856 0.1105 ( 3805 PWs) bands (ev): -25.7740 -25.7740 -8.6079 -8.6079 -7.4978 -7.4978 -7.4478 -7.4478 -0.4105 -0.4105 0.5745 0.5745 3.4738 3.4738 3.7697 3.7697 3.8276 3.8276 4.0335 4.0335 4.1646 4.1646 4.7501 4.7501 4.8159 4.8159 4.8975 4.8975 5.2503 5.2503 5.6447 5.6447 7.4436 7.4436 8.1535 8.1535 9.3599 9.3599 10.4438 10.4438 10.5481 10.5481 11.8551 11.8551 11.9035 11.9035 12.0472 12.0472 k = 0.4376 0.3976 0.1243 ( 3815 PWs) bands (ev): -25.7739 -25.7739 -8.6085 -8.6085 -7.4982 -7.4982 -7.4492 -7.4492 -0.4006 -0.4006 0.5888 0.5888 3.4879 3.4879 3.7732 3.7732 3.8371 3.8371 4.0384 4.0384 4.1725 4.1725 4.7472 4.7472 4.8104 4.8104 4.8957 4.8957 5.2403 5.2403 5.6176 5.6176 7.3177 7.3177 8.1739 8.1739 9.3588 9.3588 10.3768 10.3768 10.6055 10.6055 11.8823 11.8823 11.9791 11.9791 12.0549 12.0549 k = 0.4307 0.4095 0.1382 ( 3811 PWs) bands (ev): -25.7738 -25.7738 -8.6092 -8.6092 -7.4988 -7.4988 -7.4506 -7.4506 -0.3898 -0.3898 0.6048 0.6048 3.5036 3.5036 3.7776 3.7776 3.8475 3.8475 4.0443 4.0443 4.1809 4.1809 4.7439 4.7439 4.8050 4.8050 4.8934 4.8934 5.2293 5.2293 5.5886 5.5886 7.1884 7.1884 8.1956 8.1956 9.3558 9.3558 10.3024 10.3024 10.6630 10.6630 11.8798 11.8798 12.0547 12.0547 12.1019 12.1019 k = 0.4238 0.4215 0.1520 ( 3813 PWs) bands (ev): -25.7737 -25.7737 -8.6100 -8.6100 -7.4996 -7.4996 -7.4520 -7.4520 -0.3783 -0.3783 0.6222 0.6222 3.5206 3.5206 3.7829 3.7829 3.8585 3.8585 4.0513 4.0513 4.1896 4.1896 4.7399 4.7399 4.7999 4.7999 4.8905 4.8905 5.2171 5.2171 5.5577 5.5577 7.0572 7.0572 8.2183 8.2183 9.3505 9.3505 10.2218 10.2218 10.7204 10.7204 11.8801 11.8801 12.0650 12.0650 12.2144 12.2144 k = 0.4168 0.4334 0.1658 ( 3809 PWs) bands (ev): -25.7736 -25.7736 -8.6109 -8.6109 -7.5005 -7.5005 -7.4533 -7.4533 -0.3660 -0.3660 0.6411 0.6411 3.5390 3.5390 3.7892 3.7892 3.8702 3.8702 4.0593 4.0593 4.1984 4.1984 4.7352 4.7352 4.7953 4.7953 4.8868 4.8868 5.2039 5.2039 5.5253 5.5253 6.9251 6.9251 8.2418 8.2418 9.3424 9.3424 10.1357 10.1357 10.7778 10.7778 11.8843 11.8843 12.0728 12.0728 12.3073 12.3073 k = 0.4099 0.4454 0.1796 ( 3809 PWs) bands (ev): -25.7735 -25.7735 -8.6117 -8.6117 -7.5016 -7.5016 -7.4546 -7.4546 -0.3532 -0.3532 0.6614 0.6614 3.5586 3.5586 3.7964 3.7964 3.8826 3.8826 4.0684 4.0684 4.2074 4.2074 4.7297 4.7297 4.7914 4.7914 4.8824 4.8824 5.1897 5.1897 5.4918 5.4918 6.7929 6.7929 8.2656 8.2656 9.3309 9.3309 10.0450 10.0450 10.8355 10.8355 11.8926 11.8926 12.0798 12.0798 12.3226 12.3226 k = 0.4030 0.4573 0.1934 ( 3809 PWs) bands (ev): -25.7733 -25.7733 -8.6127 -8.6127 -7.5030 -7.5030 -7.4557 -7.4557 -0.3399 -0.3399 0.6830 0.6830 3.5794 3.5794 3.8046 3.8046 3.8958 3.8958 4.0787 4.0787 4.2165 4.2165 4.7233 4.7233 4.7882 4.7882 4.8773 4.8773 5.1746 5.1746 5.4572 5.4572 6.6615 6.6615 8.2898 8.2898 9.3155 9.3155 9.9504 9.9504 10.8939 10.8939 11.9048 11.9048 12.0860 12.0860 12.2714 12.2714 k = 0.3960 0.4693 0.2072 ( 3801 PWs) bands (ev): -25.7732 -25.7732 -8.6136 -8.6136 -7.5045 -7.5045 -7.4567 -7.4567 -0.3263 -0.3263 0.7058 0.7058 3.6014 3.6014 3.8138 3.8138 3.9096 3.9096 4.0901 4.0901 4.2255 4.2255 4.7162 4.7162 4.7857 4.7857 4.8715 4.8715 5.1586 5.1586 5.4220 5.4220 6.5314 6.5314 8.3140 8.3140 9.2958 9.2958 9.8529 9.8529 10.9531 10.9531 11.9206 11.9206 12.0909 12.0909 12.2079 12.2079 k = 0.3891 0.4812 0.2210 ( 3807 PWs) bands (ev): -25.7731 -25.7731 -8.6146 -8.6146 -7.5062 -7.5062 -7.4575 -7.4575 -0.3125 -0.3125 0.7298 0.7298 3.6243 3.6243 3.8240 3.8240 3.9241 3.9241 4.1026 4.1026 4.2343 4.2343 4.7085 4.7085 4.7838 4.7838 4.8650 4.8650 5.1417 5.1417 5.3863 5.3863 6.4032 6.4032 8.3381 8.3381 9.2715 9.2715 9.7530 9.7530 11.0135 11.0135 11.9393 11.9393 12.0936 12.0936 12.1487 12.1487 k = 0.3822 0.4932 0.2349 ( 3811 PWs) bands (ev): -25.7729 -25.7729 -8.6157 -8.6157 -7.5081 -7.5081 -7.4582 -7.4582 -0.2986 -0.2986 0.7550 0.7550 3.6480 3.6480 3.8353 3.8353 3.9392 3.9392 4.1162 4.1162 4.2430 4.2430 4.7004 4.7004 4.7821 4.7821 4.8580 4.8580 5.1241 5.1241 5.3504 5.3504 6.2775 6.2775 8.3619 8.3619 9.2422 9.2422 9.6513 9.6513 11.0750 11.0750 11.9599 11.9599 12.0876 12.0876 12.1045 12.1045 k = 0.3752 0.5051 0.2487 ( 3823 PWs) bands (ev): -25.7728 -25.7728 -8.6167 -8.6167 -7.5102 -7.5102 -7.4587 -7.4587 -0.2849 -0.2849 0.7811 0.7811 3.6724 3.6724 3.8476 3.8476 3.9549 3.9549 4.1308 4.1308 4.2515 4.2515 4.6921 4.6921 4.7801 4.7801 4.8508 4.8508 5.1060 5.1060 5.3143 5.3143 6.1547 6.1547 8.3855 8.3855 9.2079 9.2079 9.5485 9.5485 11.1380 11.1380 11.9799 11.9799 12.0551 12.0551 12.0964 12.0964 k = 0.3683 0.5171 0.2625 ( 3825 PWs) bands (ev): -25.7726 -25.7726 -8.6177 -8.6177 -7.5124 -7.5124 -7.4590 -7.4590 -0.2714 -0.2714 0.8081 0.8081 3.6974 3.6974 3.8611 3.8611 3.9712 3.9712 4.1465 4.1465 4.2596 4.2596 4.6839 4.6839 4.7772 4.7772 4.8439 4.8439 5.0874 5.0874 5.2786 5.2786 6.0353 6.0353 8.4086 8.4086 9.1685 9.1685 9.4450 9.4450 11.2023 11.2023 11.9891 11.9891 12.0373 12.0373 12.0923 12.0923 k = 0.3614 0.5290 0.2763 ( 3825 PWs) bands (ev): -25.7725 -25.7725 -8.6188 -8.6188 -7.5147 -7.5147 -7.4592 -7.4592 -0.2583 -0.2583 0.8360 0.8360 3.7227 3.7227 3.8758 3.8758 3.9880 3.9880 4.1630 4.1630 4.2676 4.2676 4.6759 4.6759 4.7724 4.7724 4.8381 4.8381 5.0686 5.0686 5.2434 5.2434 5.9196 5.9196 8.4313 8.4313 9.1241 9.1241 9.3413 9.3413 11.2680 11.2680 11.9793 11.9793 12.0422 12.0422 12.0913 12.0913 k = 0.3544 0.5410 0.2901 ( 3823 PWs) bands (ev): -25.7724 -25.7724 -8.6198 -8.6198 -7.5170 -7.5170 -7.4593 -7.4593 -0.2459 -0.2459 0.8646 0.8646 3.7482 3.7482 3.8916 3.8916 4.0052 4.0052 4.1801 4.1801 4.2755 4.2755 4.6684 4.6684 4.7647 4.7647 4.8340 4.8340 5.0499 5.0499 5.2088 5.2088 5.8083 5.8083 8.4536 8.4536 9.0750 9.0750 9.2378 9.2378 11.3351 11.3351 11.9681 11.9681 12.0395 12.0395 12.1043 12.1043 k = 0.3475 0.5529 0.3039 ( 3829 PWs) bands (ev): -25.7722 -25.7722 -8.6209 -8.6209 -7.5194 -7.5194 -7.4592 -7.4592 -0.2341 -0.2341 0.8938 0.8938 3.7735 3.7735 3.9087 3.9087 4.0225 4.0225 4.1976 4.1976 4.2835 4.2835 4.6617 4.6617 4.7536 4.7536 4.8316 4.8316 5.0313 5.0313 5.1751 5.1751 5.7017 5.7017 8.4755 8.4755 9.0215 9.0215 9.1351 9.1351 11.4035 11.4035 11.9612 11.9612 12.0235 12.0235 12.1296 12.1296 k = 0.3406 0.5649 0.3178 ( 3833 PWs) bands (ev): -25.7721 -25.7721 -8.6219 -8.6219 -7.5218 -7.5218 -7.4591 -7.4591 -0.2233 -0.2233 0.9235 0.9235 3.7984 3.7984 3.9272 3.9272 4.0397 4.0397 4.2147 4.2147 4.2922 4.2922 4.6558 4.6558 4.7392 4.7392 4.8304 4.8304 5.0133 5.0133 5.1427 5.1427 5.6006 5.6006 8.4970 8.4970 8.9631 8.9631 9.0344 9.0344 11.4730 11.4730 11.9519 11.9519 12.0074 12.0074 12.1588 12.1588 k = 0.3336 0.5768 0.3316 ( 3833 PWs) bands (ev): -25.7720 -25.7720 -8.6228 -8.6228 -7.5241 -7.5241 -7.4590 -7.4590 -0.2137 -0.2137 0.9536 0.9536 3.8227 3.8227 3.9470 3.9470 4.0566 4.0566 4.2308 4.2308 4.3023 4.3023 4.6511 4.6511 4.7219 4.7219 4.8297 4.8297 4.9962 4.9962 5.1119 5.1119 5.5054 5.5054 8.5182 8.5182 8.8966 8.8966 8.9398 8.9398 11.5432 11.5432 11.9251 11.9251 12.0081 12.0081 12.1885 12.1885 k = 0.3267 0.5888 0.3454 ( 3829 PWs) bands (ev): -25.7718 -25.7718 -8.6237 -8.6237 -7.5263 -7.5263 -7.4587 -7.4587 -0.2053 -0.2053 0.9840 0.9840 3.8459 3.8459 3.9683 3.9683 4.0727 4.0727 4.2449 4.2449 4.3150 4.3150 4.6476 4.6476 4.7019 4.7019 4.8285 4.8285 4.9800 4.9800 5.0835 5.0835 5.4169 5.4169 8.5392 8.5392 8.8131 8.8131 8.8611 8.8611 11.6131 11.6131 11.8826 11.8826 12.0250 12.0250 12.2169 12.2169 k = 0.3198 0.6007 0.3592 ( 3817 PWs) bands (ev): -25.7717 -25.7717 -8.6246 -8.6246 -7.5284 -7.5284 -7.4585 -7.4585 -0.1983 -0.1983 1.0145 1.0145 3.8680 3.8680 3.9908 3.9908 4.0876 4.0876 4.2562 4.2562 4.3308 4.3308 4.6454 4.6454 4.6798 4.6798 4.8261 4.8261 4.9641 4.9641 5.0584 5.0584 5.3362 5.3362 8.5601 8.5601 8.7181 8.7181 8.7937 8.7937 11.6784 11.6784 11.8349 11.8349 12.0515 12.0515 12.2425 12.2425 k = 0.3128 0.6127 0.3730 ( 3813 PWs) bands (ev): -25.7716 -25.7716 -8.6254 -8.6254 -7.5304 -7.5304 -7.4582 -7.4582 -0.1929 -0.1929 1.0450 1.0450 3.8885 3.8885 4.0143 4.0143 4.1008 4.1008 4.2652 4.2652 4.3490 4.3490 4.6434 4.6434 4.6568 4.6568 4.8221 4.8221 4.9472 4.9472 5.0380 5.0380 5.2645 5.2645 8.5809 8.5809 8.6212 8.6212 8.7288 8.7288 11.7093 11.7093 11.8145 11.8145 12.0850 12.0850 12.2643 12.2643 k = 0.3059 0.6246 0.3868 ( 3809 PWs) bands (ev): -25.7715 -25.7715 -8.6262 -8.6262 -7.5322 -7.5322 -7.4579 -7.4579 -0.1893 -0.1893 1.0754 1.0754 3.9075 3.9075 4.0382 4.0382 4.1119 4.1119 4.2727 4.2727 4.3685 4.3685 4.6279 4.6279 4.6478 4.6478 4.8168 4.8168 4.9277 4.9277 5.0225 5.0225 5.2038 5.2038 8.5248 8.5248 8.6019 8.6019 8.6648 8.6648 11.6645 11.6645 11.8640 11.8640 12.1238 12.1238 12.2814 12.2814 k = 0.2990 0.6366 0.4006 ( 3817 PWs) bands (ev): -25.7715 -25.7715 -8.6268 -8.6268 -7.5339 -7.5339 -7.4576 -7.4576 -0.1875 -0.1875 1.1056 1.1056 3.9246 3.9246 4.0616 4.0616 4.1210 4.1210 4.2794 4.2794 4.3873 4.3873 4.6032 4.6032 4.6496 4.6496 4.8109 4.8109 4.9052 4.9052 5.0095 5.0095 5.1572 5.1572 8.4296 8.4296 8.6014 8.6014 8.6232 8.6232 11.5932 11.5932 11.9353 11.9353 12.1667 12.1667 12.2935 12.2935 k = 0.2921 0.6485 0.4145 ( 3805 PWs) bands (ev): -25.7714 -25.7714 -8.6274 -8.6274 -7.5354 -7.5354 -7.4573 -7.4573 -0.1878 -0.1878 1.1354 1.1354 3.9400 3.9400 4.0824 4.0824 4.1295 4.1295 4.2856 4.2856 4.4026 4.4026 4.5807 4.5807 4.6537 4.6537 4.8053 4.8053 4.8811 4.8811 4.9942 4.9942 5.1287 5.1287 8.3361 8.3361 8.5396 8.5396 8.6446 8.6446 11.5134 11.5134 12.0112 12.0112 12.2127 12.2127 12.3008 12.3008 k = 0.2921 0.6485 0.4145 ( 3805 PWs) bands (ev): -25.7714 -25.7714 -8.6274 -8.6274 -7.5354 -7.5354 -7.4573 -7.4573 -0.1878 -0.1878 1.1354 1.1354 3.9400 3.9400 4.0824 4.0824 4.1295 4.1295 4.2856 4.2856 4.4026 4.4026 4.5807 4.5807 4.6537 4.6537 4.8053 4.8053 4.8811 4.8811 4.9942 4.9942 5.1287 5.1287 8.3361 8.3361 8.5396 8.5396 8.6446 8.6446 11.5134 11.5134 12.0112 12.0112 12.2127 12.2127 12.3008 12.3008 k = 0.2738 0.6440 0.4197 ( 3809 PWs) bands (ev): -25.7713 -25.7713 -8.6276 -8.6276 -7.5359 -7.5359 -7.4572 -7.4572 -0.1889 -0.1889 1.1472 1.1472 3.9454 3.9454 4.0880 4.0880 4.1335 4.1335 4.2876 4.2876 4.4065 4.4065 4.5717 4.5717 4.6563 4.6563 4.8030 4.8030 4.8732 4.8732 4.9871 4.9871 5.1266 5.1266 8.2404 8.2404 8.5783 8.5783 8.6532 8.6532 11.4806 11.4806 12.0307 12.0307 12.1975 12.1975 12.3205 12.3205 k = 0.2555 0.6395 0.4249 ( 3807 PWs) bands (ev): -25.7713 -25.7713 -8.6278 -8.6278 -7.5363 -7.5363 -7.4570 -7.4570 -0.1909 -0.1909 1.1598 1.1598 3.9510 3.9510 4.0908 4.0908 4.1388 4.1388 4.2893 4.2893 4.4089 4.4089 4.5610 4.5610 4.6595 4.6595 4.8001 4.8001 4.8676 4.8676 4.9792 4.9792 5.1347 5.1347 8.0992 8.0992 8.6606 8.6606 8.6675 8.6675 11.4459 11.4459 12.0164 12.0164 12.1695 12.1695 12.3415 12.3415 k = 0.2373 0.6349 0.4302 ( 3800 PWs) bands (ev): -25.7713 -25.7713 -8.6279 -8.6279 -7.5367 -7.5367 -7.4569 -7.4569 -0.1938 -0.1938 1.1729 1.1729 3.9565 3.9565 4.0909 4.0909 4.1453 4.1453 4.2907 4.2907 4.4099 4.4099 4.5494 4.5494 4.6628 4.6628 4.7968 4.7968 4.8639 4.8639 4.9707 4.9707 5.1530 5.1530 7.9515 7.9515 8.6719 8.6719 8.7629 8.7629 11.4104 11.4104 11.9532 11.9532 12.1688 12.1688 12.3537 12.3537 k = 0.2190 0.6304 0.4354 ( 3804 PWs) bands (ev): -25.7713 -25.7713 -8.6281 -8.6281 -7.5371 -7.5371 -7.4568 -7.4568 -0.1973 -0.1973 1.1863 1.1863 3.9621 3.9621 4.0888 4.0888 4.1524 4.1524 4.2917 4.2917 4.4096 4.4096 4.5375 4.5375 4.6658 4.6658 4.7932 4.7932 4.8611 4.8611 4.9620 4.9620 5.1808 5.1808 7.8042 7.8042 8.6818 8.6818 8.8630 8.8630 11.3750 11.3750 11.8608 11.8608 12.1826 12.1826 12.3634 12.3634 k = 0.2008 0.6259 0.4406 ( 3815 PWs) bands (ev): -25.7713 -25.7713 -8.6282 -8.6282 -7.5375 -7.5375 -7.4567 -7.4567 -0.2012 -0.2012 1.1996 1.1996 3.9676 3.9676 4.0852 4.0852 4.1595 4.1595 4.2923 4.2923 4.4085 4.4085 4.5260 4.5260 4.6685 4.6685 4.7897 4.7897 4.8587 4.8587 4.9534 4.9534 5.2172 5.2172 7.6591 7.6591 8.6919 8.6919 8.9644 8.9644 11.3404 11.3404 11.7559 11.7559 12.1973 12.1973 12.3760 12.3760 k = 0.1825 0.6213 0.4459 ( 3823 PWs) bands (ev): -25.7712 -25.7712 -8.6284 -8.6284 -7.5378 -7.5378 -7.4566 -7.4566 -0.2053 -0.2053 1.2126 1.2126 3.9731 3.9731 4.0805 4.0805 4.1663 4.1663 4.2927 4.2927 4.4070 4.4070 4.5150 4.5150 4.6712 4.6712 4.7864 4.7864 4.8563 4.8563 4.9451 4.9451 5.2612 5.2612 7.5172 7.5172 8.7018 8.7018 9.0663 9.0663 11.3071 11.3071 11.6458 11.6458 12.2082 12.2082 12.3941 12.3941 k = 0.1643 0.6168 0.4511 ( 3825 PWs) bands (ev): -25.7712 -25.7712 -8.6285 -8.6285 -7.5381 -7.5381 -7.4565 -7.4565 -0.2095 -0.2095 1.2250 1.2250 3.9785 3.9785 4.0751 4.0751 4.1724 4.1724 4.2929 4.2929 4.4054 4.4054 4.5050 4.5050 4.6737 4.6737 4.7834 4.7834 4.8540 4.8540 4.9372 4.9372 5.3117 5.3117 7.3792 7.3792 8.7115 8.7115 9.1681 9.1681 11.2753 11.2753 11.5343 11.5343 12.2143 12.2143 12.4179 12.4179 k = 0.1460 0.6123 0.4564 ( 3825 PWs) bands (ev): -25.7712 -25.7712 -8.6286 -8.6286 -7.5384 -7.5384 -7.4564 -7.4564 -0.2136 -0.2136 1.2367 1.2367 3.9838 3.9838 4.0692 4.0692 4.1777 4.1777 4.2930 4.2930 4.4039 4.4039 4.4958 4.4958 4.6763 4.6763 4.7805 4.7805 4.8518 4.8518 4.9300 4.9300 5.3676 5.3676 7.2458 7.2458 8.7207 8.7207 9.2691 9.2691 11.2445 11.2445 11.4242 11.4242 12.2164 12.2164 12.4457 12.4457 k = 0.1278 0.6077 0.4616 ( 3822 PWs) bands (ev): -25.7712 -25.7712 -8.6287 -8.6287 -7.5386 -7.5386 -7.4563 -7.4563 -0.2175 -0.2175 1.2474 1.2474 3.9890 3.9890 4.0630 4.0630 4.1820 4.1820 4.2932 4.2932 4.4027 4.4027 4.4877 4.4877 4.6788 4.6788 4.7778 4.7778 4.8498 4.8498 4.9233 4.9233 5.4279 5.4279 7.1177 7.1177 8.7293 8.7293 9.3685 9.3685 11.2120 11.2120 11.3204 11.3204 12.2161 12.2161 12.4756 12.4756 k = 0.1095 0.6032 0.4668 ( 3821 PWs) bands (ev): -25.7712 -25.7712 -8.6287 -8.6287 -7.5389 -7.5389 -7.4562 -7.4562 -0.2211 -0.2211 1.2571 1.2571 3.9940 3.9940 4.0569 4.0569 4.1853 4.1853 4.2936 4.2936 4.4017 4.4017 4.4805 4.4805 4.6812 4.6812 4.7752 4.7752 4.8482 4.8482 4.9173 4.9173 5.4912 5.4912 6.9960 6.9960 8.7371 8.7371 9.4653 9.4653 11.1631 11.1631 11.2394 11.2394 12.2144 12.2144 12.5056 12.5056 k = 0.0913 0.5987 0.4721 ( 3825 PWs) bands (ev): -25.7712 -25.7712 -8.6288 -8.6288 -7.5390 -7.5390 -7.4561 -7.4561 -0.2243 -0.2243 1.2654 1.2654 3.9989 3.9989 4.0507 4.0507 4.1876 4.1876 4.2943 4.2943 4.4010 4.4010 4.4744 4.4744 4.6836 4.6836 4.7727 4.7727 4.8471 4.8471 4.9119 4.9119 5.5561 5.5561 6.8819 6.8819 8.7439 8.7439 9.5581 9.5581 11.0814 11.0814 11.1996 11.1996 12.2121 12.2121 12.5340 12.5340 k = 0.0730 0.5941 0.4773 ( 3825 PWs) bands (ev): -25.7712 -25.7712 -8.6288 -8.6288 -7.5392 -7.5392 -7.4560 -7.4560 -0.2271 -0.2271 1.2724 1.2724 4.0036 4.0036 4.0448 4.0448 4.1891 4.1891 4.2952 4.2952 4.4005 4.4005 4.4693 4.4693 4.6857 4.6857 4.7705 4.7705 4.8463 4.8463 4.9074 4.9074 5.6203 5.6203 6.7776 6.7776 8.7498 8.7498 9.6445 9.6445 10.9927 10.9927 11.1780 11.1780 12.2098 12.2098 12.5595 12.5595 k = 0.0548 0.5896 0.4826 ( 3831 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5393 -7.5393 -7.4560 -7.4560 -0.2292 -0.2292 1.2779 1.2779 4.0082 4.0082 4.0391 4.0391 4.1900 4.1900 4.2962 4.2962 4.4000 4.4000 4.4654 4.4654 4.6875 4.6875 4.7685 4.7685 4.8459 4.8459 4.9036 4.9036 5.6805 5.6805 6.6863 6.6863 8.7544 8.7544 9.7211 9.7211 10.9120 10.9120 11.1632 11.1632 12.2077 12.2077 12.5809 12.5809 k = 0.0365 0.5851 0.4878 ( 3830 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4560 -7.4560 -0.2308 -0.2308 1.2819 1.2819 4.0127 4.0127 4.0339 4.0339 4.1904 4.1904 4.2971 4.2971 4.3997 4.3997 4.4625 4.4625 4.6888 4.6888 4.7670 4.7670 4.8457 4.8457 4.9009 4.9009 5.7318 5.7318 6.6128 6.6128 8.7578 8.7578 9.7832 9.7832 10.8465 10.8465 11.1531 11.1531 12.2061 12.2061 12.5969 12.5969 k = 0.0183 0.5806 0.4930 ( 3825 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4559 -7.4559 -0.2318 -0.2318 1.2844 1.2844 4.0168 4.0168 4.0293 4.0293 4.1907 4.1907 4.2977 4.2977 4.3995 4.3995 4.4609 4.4609 4.6897 4.6897 4.7660 4.7660 4.8457 4.8457 4.8992 4.8992 5.7674 5.7674 6.5639 6.5639 8.7598 8.7598 9.8245 9.8245 10.8029 10.8029 11.1471 11.1471 12.2051 12.2051 12.6069 12.6069 k = 0.0000 0.5760 0.4983 ( 3826 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4559 -7.4559 -0.2321 -0.2321 1.2852 1.2852 4.0192 4.0192 4.0268 4.0268 4.1907 4.1907 4.2980 4.2980 4.3995 4.3995 4.4603 4.4603 4.6900 4.6900 4.7657 4.7657 4.8457 4.8457 4.8986 4.8986 5.7803 5.7803 6.5466 6.5466 8.7605 8.7605 9.8391 9.8391 10.7876 10.7876 11.1452 11.1452 12.2047 12.2047 12.6103 12.6103 k = 0.0000 0.5760 0.4983 ( 3826 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4559 -7.4559 -0.2321 -0.2321 1.2852 1.2852 4.0192 4.0192 4.0268 4.0268 4.1907 4.1907 4.2980 4.2980 4.3995 4.3995 4.4603 4.4603 4.6900 4.6900 4.7657 4.7657 4.8457 4.8457 4.8986 4.8986 5.7803 5.7803 6.5466 6.5466 8.7605 8.7605 9.8391 9.8391 10.7876 10.7876 11.1452 11.1452 12.2047 12.2047 12.6103 12.6103 k = 0.0069 0.5641 0.5121 ( 3828 PWs) bands (ev): -25.7712 -25.7712 -8.6289 -8.6289 -7.5394 -7.5394 -7.4560 -7.4560 -0.2321 -0.2321 1.2859 1.2859 4.0139 4.0139 4.0314 4.0314 4.1880 4.1880 4.3001 4.3001 4.3991 4.3991 4.4609 4.4609 4.6895 4.6895 4.7647 4.7647 4.8484 4.8484 4.8999 4.8999 5.7811 5.7811 6.5475 6.5475 8.7568 8.7568 9.8355 9.8355 10.7871 10.7871 11.1168 11.1168 12.2361 12.2361 12.6126 12.6126 k = 0.0139 0.5521 0.5260 ( 3832 PWs) bands (ev): -25.7711 -25.7711 -8.6290 -8.6290 -7.5392 -7.5392 -7.4564 -7.4564 -0.2320 -0.2320 1.2879 1.2879 4.0054 4.0054 4.0376 4.0376 4.1808 4.1808 4.3056 4.3056 4.3979 4.3979 4.4626 4.4626 4.6880 4.6880 4.7621 4.7621 4.8558 4.8558 4.9036 4.9036 5.7835 5.7835 6.5504 6.5504 8.7457 8.7457 9.8246 9.8246 10.7845 10.7845 11.0416 11.0416 12.3213 12.3213 12.6196 12.6196 k = 0.0208 0.5401 0.5398 ( 3830 PWs) bands (ev): -25.7711 -25.7711 -8.6291 -8.6291 -7.5390 -7.5390 -7.4570 -7.4570 -0.2318 -0.2318 1.2914 1.2914 3.9962 3.9962 4.0427 4.0427 4.1710 4.1710 4.3127 4.3127 4.3963 4.3963 4.4655 4.4655 4.6860 4.6860 4.7589 4.7589 4.8670 4.8670 4.9094 4.9094 5.7874 5.7874 6.5551 6.5551 8.7275 8.7275 9.8065 9.8065 10.7722 10.7722 10.9444 10.9444 12.4430 12.4430 12.6321 12.6321 k = 0.0278 0.5281 0.5536 ( 3832 PWs) bands (ev): -25.7711 -25.7711 -8.6292 -8.6292 -7.5387 -7.5387 -7.4578 -7.4578 -0.2315 -0.2315 1.2962 1.2962 3.9864 3.9864 4.0460 4.0460 4.1606 4.1606 4.3198 4.3198 4.3944 4.3944 4.4693 4.4693 4.6842 4.6842 4.7563 4.7563 4.8807 4.8807 4.9168 4.9168 5.7931 5.7931 6.5618 6.5618 8.7026 8.7026 9.7813 9.7813 10.7186 10.7186 10.8707 10.8707 12.5850 12.5850 12.6528 12.6528 k = 0.0347 0.5162 0.5675 ( 3828 PWs) bands (ev): -25.7710 -25.7710 -8.6294 -8.6294 -7.5383 -7.5383 -7.4588 -7.4588 -0.2311 -0.2311 1.3023 1.3023 3.9762 3.9762 4.0466 4.0466 4.1514 4.1514 4.3256 4.3256 4.3924 4.3924 4.4740 4.4740 4.6832 4.6832 4.7547 4.7547 4.8961 4.8961 4.9253 4.9253 5.8005 5.8005 6.5703 6.5703 8.6715 8.6715 9.7492 9.7492 10.6031 10.6031 10.8498 10.8498 12.6694 12.6694 12.7508 12.7508 k = 0.0417 0.5042 0.5813 ( 3820 PWs) bands (ev): -25.7710 -25.7710 -8.6296 -8.6296 -7.5378 -7.5378 -7.4600 -7.4600 -0.2307 -0.2307 1.3097 1.3097 3.9655 3.9655 4.0436 4.0436 4.1449 4.1449 4.3296 4.3296 4.3905 4.3905 4.4796 4.4796 4.6834 4.6834 4.7548 4.7548 4.9125 4.9125 4.9346 4.9346 5.8098 5.8098 6.5807 6.5807 8.6349 8.6349 9.7104 9.7104 10.4626 10.4626 10.8501 10.8501 12.7024 12.7024 12.9148 12.9148 k = 0.0486 0.4922 0.5952 ( 3814 PWs) bands (ev): -25.7709 -25.7709 -8.6299 -8.6299 -7.5373 -7.5373 -7.4615 -7.4615 -0.2302 -0.2302 1.3184 1.3184 3.9543 3.9543 4.0366 4.0366 4.1419 4.1419 4.3316 4.3316 4.3890 4.3890 4.4856 4.4856 4.6850 4.6850 4.7568 4.7568 4.9287 4.9287 4.9449 4.9449 5.8210 5.8210 6.5931 6.5931 8.5935 8.5935 9.6653 9.6653 10.3145 10.3145 10.8568 10.8568 12.7402 12.7402 13.0848 13.0848 k = 0.0556 0.4802 0.6090 ( 3816 PWs) bands (ev): -25.7708 -25.7708 -8.6301 -8.6301 -7.5366 -7.5366 -7.4631 -7.4631 -0.2296 -0.2296 1.3282 1.3282 3.9426 3.9426 4.0260 4.0260 4.1422 4.1422 4.3316 4.3316 4.3878 4.3878 4.4920 4.4920 4.6882 4.6882 4.7609 4.7609 4.9427 4.9427 4.9574 4.9574 5.8342 5.8342 6.6072 6.6072 8.5478 8.5478 9.6143 9.6143 10.1640 10.1640 10.8666 10.8666 12.7841 12.7841 13.2147 13.2147 k = 0.0625 0.4683 0.6228 ( 3818 PWs) bands (ev): -25.7707 -25.7707 -8.6305 -8.6305 -7.5359 -7.5359 -7.4648 -7.4648 -0.2290 -0.2290 1.3391 1.3391 3.9305 3.9305 4.0127 4.0127 4.1450 4.1450 4.3300 4.3300 4.3872 4.3872 4.4983 4.4983 4.6928 4.6928 4.7671 4.7671 4.9531 4.9531 4.9732 4.9732 5.8495 5.8495 6.6232 6.6232 8.4985 8.4985 9.5578 9.5578 10.0135 10.0135 10.8781 10.8781 12.8336 12.8336 13.2788 13.2788 k = 0.0694 0.4563 0.6367 ( 3818 PWs) bands (ev): -25.7706 -25.7706 -8.6308 -8.6308 -7.5352 -7.5352 -7.4668 -7.4668 -0.2283 -0.2283 1.3511 1.3511 3.9180 3.9180 3.9976 3.9976 4.1495 4.1495 4.3274 4.3274 4.3872 4.3872 4.5044 4.5044 4.6988 4.6988 4.7753 4.7753 4.9609 4.9609 4.9907 4.9907 5.8670 5.8670 6.6410 6.6410 8.4463 8.4463 9.4964 9.4964 9.8643 9.8643 10.8907 10.8907 12.8881 12.8881 13.3452 13.3452 k = 0.0764 0.4443 0.6505 ( 3824 PWs) bands (ev): -25.7705 -25.7705 -8.6312 -8.6312 -7.5344 -7.5344 -7.4688 -7.4688 -0.2276 -0.2276 1.3641 1.3641 3.9051 3.9051 3.9814 3.9814 4.1551 4.1551 4.3241 4.3241 4.3881 4.3881 4.5101 4.5101 4.7059 4.7059 4.7855 4.7855 4.9672 4.9672 5.0085 5.0085 5.8866 5.8866 6.6606 6.6606 8.3918 8.3918 9.4306 9.4306 9.7173 9.7173 10.9037 10.9037 12.9469 12.9469 13.4133 13.4133 k = 0.0833 0.4324 0.6644 ( 3828 PWs) bands (ev): -25.7704 -25.7704 -8.6316 -8.6316 -7.5336 -7.5336 -7.4710 -7.4710 -0.2269 -0.2269 1.3779 1.3779 3.8920 3.8920 3.9646 3.9646 4.1613 4.1613 4.3206 4.3206 4.3898 4.3898 4.5154 4.5154 4.7136 4.7136 4.7973 4.7973 4.9723 4.9723 5.0263 5.0263 5.9085 5.9085 6.6817 6.6817 8.3354 8.3354 9.3610 9.3610 9.5732 9.5732 10.9169 10.9169 13.0090 13.0090 13.4827 13.4827 k = 0.0903 0.4204 0.6782 ( 3820 PWs) bands (ev): -25.7703 -25.7703 -8.6320 -8.6320 -7.5328 -7.5328 -7.4732 -7.4732 -0.2261 -0.2261 1.3925 1.3925 3.8787 3.8787 3.9476 3.9476 4.1680 4.1680 4.3173 4.3173 4.3924 4.3924 4.5204 4.5204 4.7218 4.7218 4.8106 4.8106 4.9764 4.9764 5.0436 5.0436 5.9326 5.9326 6.7045 6.7045 8.2776 8.2776 9.2881 9.2881 9.4326 9.4326 10.9295 10.9295 13.0737 13.0737 13.5529 13.5529 k = 0.0972 0.4084 0.6920 ( 3818 PWs) bands (ev): -25.7701 -25.7701 -8.6325 -8.6325 -7.5319 -7.5319 -7.4754 -7.4754 -0.2253 -0.2253 1.4078 1.4078 3.8653 3.8653 3.9303 3.9303 4.1749 4.1749 4.3145 4.3145 4.3959 4.3959 4.5252 4.5252 4.7300 4.7300 4.8251 4.8251 4.9796 4.9796 5.0602 5.0602 5.9589 5.9589 6.7286 6.7286 8.2189 8.2189 9.2123 9.2123 9.2962 9.2962 10.9412 10.9412 13.1400 13.1400 13.6234 13.6234 k = 0.1042 0.3964 0.7059 ( 3820 PWs) bands (ev): -25.7700 -25.7700 -8.6330 -8.6330 -7.5311 -7.5311 -7.4778 -7.4778 -0.2245 -0.2245 1.4237 1.4237 3.8518 3.8518 3.9130 3.9130 4.1820 4.1820 4.3125 4.3125 4.4003 4.4003 4.5297 4.5297 4.7378 4.7378 4.8404 4.8404 4.9822 4.9822 5.0761 5.0761 5.9872 5.9872 6.7540 6.7540 8.1597 8.1597 9.1322 9.1322 9.1663 9.1663 10.9513 10.9513 13.2070 13.2070 13.6941 13.6941 k = 0.1111 0.3845 0.7197 ( 3822 PWs) bands (ev): -25.7699 -25.7699 -8.6335 -8.6335 -7.5302 -7.5302 -7.4801 -7.4801 -0.2237 -0.2237 1.4400 1.4400 3.8384 3.8384 3.8959 3.8959 4.1892 4.1892 4.3116 4.3116 4.4056 4.4056 4.5341 4.5341 4.7450 4.7450 4.8563 4.8563 4.9845 4.9845 5.0909 5.0909 6.0177 6.0177 6.7804 6.7804 8.1001 8.1001 9.0293 9.0293 9.0626 9.0626 10.9594 10.9594 13.2741 13.2741 13.7642 13.7642 k = 0.1181 0.3725 0.7336 ( 3822 PWs) bands (ev): -25.7697 -25.7697 -8.6340 -8.6340 -7.5294 -7.5294 -7.4823 -7.4823 -0.2229 -0.2229 1.4566 1.4566 3.8251 3.8251 3.8789 3.8789 4.1965 4.1965 4.3119 4.3119 4.4115 4.4115 4.5386 4.5386 4.7512 4.7512 4.8726 4.8726 4.9865 4.9865 5.1046 5.1046 6.0501 6.0501 6.8075 6.8075 8.0406 8.0406 8.9091 8.9091 8.9803 8.9803 10.9648 10.9648 13.3404 13.3404 13.7591 13.7591 k = 0.1250 0.3605 0.7474 ( 3826 PWs) bands (ev): -25.7696 -25.7696 -8.6345 -8.6345 -7.5287 -7.5287 -7.4846 -7.4846 -0.2222 -0.2222 1.4735 1.4735 3.8120 3.8120 3.8622 3.8622 4.2039 4.2039 4.3136 4.3136 4.4179 4.4179 4.5430 4.5430 4.7563 4.7563 4.8890 4.8890 4.9887 4.9887 5.1170 5.1170 6.0845 6.0845 6.8351 6.8351 7.9813 7.9813 8.7925 8.7925 8.8996 8.8996 10.9669 10.9669 13.4053 13.4053 13.6896 13.6896 k = 0.1319 0.3485 0.7613 ( 3828 PWs) bands (ev): -25.7694 -25.7694 -8.6351 -8.6351 -7.5280 -7.5280 -7.4867 -7.4867 -0.2214 -0.2214 1.4905 1.4905 3.7992 3.7992 3.8460 3.8460 4.2113 4.2113 4.3168 4.3168 4.4248 4.4248 4.5476 4.5476 4.7599 4.7599 4.9053 4.9053 4.9912 4.9912 5.1280 5.1280 6.1207 6.1207 6.8627 6.8627 7.9223 7.9223 8.6817 8.6817 8.8193 8.8193 10.9653 10.9653 13.4682 13.4682 13.6275 13.6275 k = 0.1389 0.3366 0.7751 ( 3830 PWs) bands (ev): -25.7693 -25.7693 -8.6356 -8.6356 -7.5275 -7.5275 -7.4887 -7.4887 -0.2206 -0.2206 1.5074 1.5074 3.7868 3.7868 3.8301 3.8301 4.2188 4.2188 4.3217 4.3217 4.4319 4.4319 4.5522 4.5522 4.7620 4.7620 4.9215 4.9215 4.9941 4.9941 5.1376 5.1376 6.1587 6.1587 6.8899 6.8899 7.8639 7.8639 8.5774 8.5774 8.7398 8.7398 10.9595 10.9595 13.5282 13.5282 13.5758 13.5758 k = 0.1458 0.3246 0.7889 ( 3828 PWs) bands (ev): -25.7692 -25.7692 -8.6362 -8.6362 -7.5270 -7.5270 -7.4906 -7.4906 -0.2199 -0.2199 1.5241 1.5241 3.7748 3.7748 3.8149 3.8149 4.2263 4.2263 4.3281 4.3281 4.4391 4.4391 4.5569 4.5569 4.7626 4.7626 4.9374 4.9374 4.9976 4.9976 5.1456 5.1456 6.1984 6.1984 6.9162 6.9162 7.8061 7.8061 8.4802 8.4802 8.6614 8.6614 10.9493 10.9493 13.5316 13.5316 13.5889 13.5889 k = 0.1528 0.3126 0.8028 ( 3828 PWs) bands (ev): -25.7690 -25.7690 -8.6367 -8.6367 -7.5267 -7.5267 -7.4923 -7.4923 -0.2192 -0.2192 1.5405 1.5405 3.7633 3.7633 3.8002 3.8002 4.2338 4.2338 4.3363 4.3363 4.4461 4.4461 4.5617 4.5617 4.7617 4.7617 4.9529 4.9529 5.0015 5.0015 5.1520 5.1520 6.2397 6.2397 6.9410 6.9410 7.7488 7.7488 8.3907 8.3907 8.5847 8.5847 10.9346 10.9346 13.5016 13.5016 13.6442 13.6442 k = 0.1597 0.3007 0.8166 ( 3816 PWs) bands (ev): -25.7689 -25.7689 -8.6372 -8.6372 -7.5265 -7.5265 -7.4938 -7.4938 -0.2186 -0.2186 1.5565 1.5565 3.7523 3.7523 3.7864 3.7864 4.2414 4.2414 4.3460 4.3460 4.4529 4.4529 4.5665 4.5665 4.7595 4.7595 4.9678 4.9678 5.0060 5.0060 5.1568 5.1568 6.2825 6.2825 6.9638 6.9638 7.6923 7.6923 8.3095 8.3095 8.5101 8.5101 10.9155 10.9155 13.4828 13.4828 13.6975 13.6975 k = 0.1667 0.2887 0.8305 ( 3812 PWs) bands (ev): -25.7688 -25.7688 -8.6377 -8.6377 -7.5264 -7.5264 -7.4950 -7.4950 -0.2180 -0.2180 1.5719 1.5719 3.7419 3.7419 3.7733 3.7733 4.2490 4.2490 4.3571 4.3571 4.4592 4.4592 4.5713 4.5713 4.7562 4.7562 4.9821 4.9821 5.0107 5.0107 5.1599 5.1599 6.3269 6.3269 6.9837 6.9837 7.6362 7.6362 8.2371 8.2371 8.4382 8.4382 10.8925 10.8925 13.4757 13.4757 13.7484 13.7484 k = 0.1736 0.2767 0.8443 ( 3816 PWs) bands (ev): -25.7687 -25.7687 -8.6382 -8.6382 -7.5265 -7.5265 -7.4961 -7.4961 -0.2174 -0.2174 1.5866 1.5866 3.7320 3.7320 3.7610 3.7610 4.2565 4.2565 4.3695 4.3695 4.4650 4.4650 4.5758 4.5758 4.7520 4.7520 4.9954 4.9954 5.0158 5.0158 5.1615 5.1615 6.3726 6.3726 7.0004 7.0004 7.5807 7.5807 8.1740 8.1740 8.3695 8.3695 10.8660 10.8660 13.4801 13.4801 13.7972 13.7972 k = 0.1806 0.2647 0.8581 ( 3814 PWs) bands (ev): -25.7686 -25.7686 -8.6387 -8.6387 -7.5267 -7.5267 -7.4970 -7.4970 -0.2169 -0.2169 1.6004 1.6004 3.7228 3.7228 3.7497 3.7497 4.2640 4.2640 4.3830 4.3830 4.4702 4.4702 4.5801 4.5801 4.7473 4.7473 5.0072 5.0072 5.0215 5.0215 5.1617 5.1617 6.4198 6.4198 7.0134 7.0134 7.5254 7.5254 8.1203 8.1203 8.3045 8.3045 10.8369 10.8369 13.4957 13.4957 13.8438 13.8438 k = 0.1875 0.2528 0.8720 ( 3810 PWs) bands (ev): -25.7685 -25.7685 -8.6391 -8.6391 -7.5271 -7.5271 -7.4976 -7.4976 -0.2164 -0.2164 1.6134 1.6134 3.7143 3.7143 3.7394 3.7394 4.2714 4.2714 4.3972 4.3972 4.4750 4.4750 4.5840 4.5840 4.7424 4.7424 5.0161 5.0161 5.0290 5.0290 5.1605 5.1605 6.4682 6.4682 7.0224 7.0224 7.4704 7.4704 8.0761 8.0761 8.2438 8.2438 10.8061 10.8061 13.5220 13.5220 13.8884 13.8884 k = 0.1944 0.2408 0.8858 ( 3812 PWs) bands (ev): -25.7684 -25.7684 -8.6395 -8.6395 -7.5275 -7.5275 -7.4981 -7.4981 -0.2160 -0.2160 1.6252 1.6252 3.7065 3.7065 3.7301 3.7301 4.2786 4.2786 4.4115 4.4115 4.4796 4.4796 4.5871 4.5871 4.7374 4.7374 5.0216 5.0216 5.0385 5.0385 5.1582 5.1582 6.5179 6.5179 7.0276 7.0276 7.4154 7.4154 8.0410 8.0410 8.1879 8.1879 10.7746 10.7746 13.5583 13.5583 13.9310 13.9310 k = 0.2014 0.2288 0.8997 ( 3818 PWs) bands (ev): -25.7683 -25.7683 -8.6399 -8.6399 -7.5280 -7.5280 -7.4984 -7.4984 -0.2156 -0.2156 1.6359 1.6359 3.6994 3.6994 3.7219 3.7219 4.2855 4.2855 4.4253 4.4253 4.4844 4.4844 4.5894 4.5894 4.7325 4.7325 5.0251 5.0251 5.0487 5.0487 5.1550 5.1550 6.5687 6.5687 7.0293 7.0293 7.3604 7.3604 8.0143 8.0143 8.1373 8.1373 10.7435 10.7435 13.6039 13.6039 13.9715 13.9715 k = 0.2083 0.2168 0.9135 ( 3820 PWs) bands (ev): -25.7682 -25.7682 -8.6402 -8.6402 -7.5285 -7.5285 -7.4987 -7.4987 -0.2153 -0.2153 1.6454 1.6454 3.6932 3.6932 3.7147 3.7147 4.2920 4.2920 4.4375 4.4375 4.4903 4.4903 4.5905 4.5905 4.7281 4.7281 5.0273 5.0273 5.0585 5.0585 5.1512 5.1512 6.6204 6.6204 7.0281 7.0281 7.3053 7.3053 7.9950 7.9950 8.0926 8.0926 10.7139 10.7139 13.6582 13.6582 14.0097 14.0097 k = 0.2153 0.2049 0.9273 ( 3814 PWs) bands (ev): -25.7681 -25.7681 -8.6405 -8.6405 -7.5290 -7.5290 -7.4988 -7.4988 -0.2150 -0.2150 1.6536 1.6536 3.6878 3.6878 3.7087 3.7087 4.2980 4.2980 4.4469 4.4469 4.4983 4.4983 4.5903 4.5903 4.7243 4.7243 5.0286 5.0286 5.0676 5.0676 5.1469 5.1469 6.6730 6.6730 7.0248 7.0248 7.2502 7.2502 7.9817 7.9817 8.0541 8.0541 10.6869 10.6869 13.7203 13.7203 14.0451 14.0451 k = 0.2222 0.1929 0.9412 ( 3814 PWs) bands (ev): -25.7681 -25.7681 -8.6407 -8.6407 -7.5294 -7.5294 -7.4989 -7.4989 -0.2148 -0.2148 1.6604 1.6604 3.6833 3.6833 3.7038 3.7038 4.3033 4.3033 4.4530 4.4530 4.5084 4.5084 4.5885 4.5885 4.7211 4.7211 5.0291 5.0291 5.0759 5.0759 5.1425 5.1425 6.7261 6.7261 7.0204 7.0204 7.1953 7.1953 7.9732 7.9732 8.0221 8.0221 10.6632 10.6632 13.7897 13.7897 14.0770 14.0770 k = 0.2292 0.1809 0.9550 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6409 -8.6409 -7.5297 -7.5297 -7.4989 -7.4989 -0.2146 -0.2146 1.6657 1.6657 3.6797 3.6797 3.7000 3.7000 4.3076 4.3076 4.4565 4.4565 4.5200 4.5200 4.5851 4.5851 4.7187 4.7187 5.0292 5.0292 5.0830 5.0830 5.1383 5.1383 6.7792 6.7792 7.0155 7.0155 7.1413 7.1413 7.9680 7.9680 7.9971 7.9971 10.6439 10.6439 13.8656 13.8656 14.1041 14.1041 k = 0.2361 0.1690 0.9689 ( 3824 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5300 -7.5300 -7.4989 -7.4989 -0.2145 -0.2145 1.6695 1.6695 3.6771 3.6771 3.6973 3.6973 4.3109 4.3109 4.4582 4.4582 4.5315 4.5315 4.5803 4.5803 4.7169 4.7169 5.0290 5.0290 5.0888 5.0888 5.1346 5.1346 6.8311 6.8311 7.0100 7.0100 7.0901 7.0901 7.9651 7.9651 7.9791 7.9791 10.6296 10.6296 13.9472 13.9472 14.1253 14.1253 k = 0.2431 0.1570 0.9827 ( 3826 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6719 1.6719 3.6756 3.6756 3.6956 3.6956 4.3129 4.3129 4.4590 4.4590 4.5411 4.5411 4.5750 4.5750 4.7159 4.7159 5.0287 5.0287 5.0927 5.0927 5.1319 5.1319 6.8780 6.8780 7.0014 7.0014 7.0488 7.0488 7.9632 7.9632 7.9687 7.9687 10.6208 10.6208 14.0336 14.0336 14.1387 14.1387 k = 0.2500 0.1450 0.9965 ( 3824 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6726 1.6726 3.6750 3.6750 3.6951 3.6951 4.3136 4.3136 4.4592 4.4592 4.5454 4.5454 4.5722 4.5722 4.7156 4.7156 5.0287 5.0287 5.0941 5.0941 5.1308 5.1308 6.9023 6.9023 6.9910 6.9910 7.0338 7.0338 7.9620 7.9620 7.9659 7.9659 10.6179 10.6179 14.1106 14.1106 14.1365 14.1365 k = 0.2500 0.1450 0.9965 ( 3824 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6726 1.6726 3.6750 3.6750 3.6951 3.6951 4.3136 4.3136 4.4592 4.4592 4.5454 4.5454 4.5722 4.5722 4.7156 4.7156 5.0287 5.0287 5.0941 5.0941 5.1308 5.1308 6.9023 6.9023 6.9910 6.9910 7.0338 7.0338 7.9620 7.9620 7.9659 7.9659 10.6179 10.6179 14.1106 14.1106 14.1365 14.1365 k = 0.2647 0.1535 0.9867 ( 3822 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6724 1.6724 3.6753 3.6753 3.6951 3.6951 4.3132 4.3132 4.4591 4.4591 4.5440 4.5440 4.5728 4.5728 4.7160 4.7160 5.0293 5.0293 5.0936 5.0936 5.1320 5.1320 6.8947 6.8947 6.9911 6.9911 7.0401 7.0401 7.9196 7.9196 8.0095 8.0095 10.6231 10.6231 14.0352 14.0352 14.0865 14.0865 k = 0.2794 0.1621 0.9768 ( 3822 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5302 -7.5302 -7.4989 -7.4989 -0.2143 -0.2143 1.6717 1.6717 3.6759 3.6759 3.6955 3.6955 4.3119 4.3119 4.4588 4.4588 4.5404 4.5404 4.5740 4.5740 4.7172 4.7172 5.0307 5.0307 5.0924 5.0924 5.1351 5.1351 6.8791 6.8791 6.9876 6.9876 7.0560 7.0560 7.8790 7.8790 8.0539 8.0539 10.6383 10.6383 13.9280 13.9280 14.0429 14.0429 k = 0.2941 0.1706 0.9670 ( 3821 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5301 -7.5301 -7.4989 -7.4989 -0.2143 -0.2143 1.6704 1.6704 3.6768 3.6768 3.6961 3.6961 4.3099 4.3099 4.4581 4.4581 4.5358 4.5358 4.5750 4.5750 4.7189 4.7189 5.0325 5.0325 5.0909 5.0909 5.1397 5.1397 6.8611 6.8611 6.9820 6.9820 7.0741 7.0741 7.8411 7.8411 8.0990 8.0990 10.6631 10.6631 13.8240 13.8240 13.9846 13.9846 k = 0.3088 0.1791 0.9571 ( 3821 PWs) bands (ev): -25.7680 -25.7680 -8.6411 -8.6411 -7.5300 -7.5300 -7.4989 -7.4989 -0.2141 -0.2141 1.6684 1.6684 3.6779 3.6779 3.6972 3.6972 4.3073 4.3073 4.4571 4.4571 4.5308 4.5308 4.5755 4.5755 4.7211 4.7211 5.0342 5.0342 5.0894 5.0894 5.1454 5.1454 6.8424 6.8424 6.9759 6.9759 7.0911 7.0911 7.8066 7.8066 8.1445 8.1445 10.6968 10.6968 13.7240 13.7240 13.9130 13.9130 k = 0.3235 0.1877 0.9472 ( 3821 PWs) bands (ev): -25.7680 -25.7680 -8.6410 -8.6410 -7.5298 -7.5298 -7.4990 -7.4990 -0.2138 -0.2138 1.6658 1.6658 3.6794 3.6794 3.6988 3.6988 4.3043 4.3043 4.4558 4.4558 4.5259 4.5259 4.5754 4.5754 4.7235 4.7235 5.0355 5.0355 5.0879 5.0879 5.1520 5.1520 6.8233 6.8233 6.9702 6.9702 7.1064 7.1064 7.7760 7.7760 8.1903 8.1903 10.7386 10.7386 13.6286 13.6286 13.8299 13.8299 k = 0.3382 0.1962 0.9374 ( 3817 PWs) bands (ev): -25.7680 -25.7680 -8.6409 -8.6409 -7.5297 -7.5297 -7.4990 -7.4990 -0.2134 -0.2134 1.6623 1.6623 3.6810 3.6810 3.7010 3.7010 4.3009 4.3009 4.4541 4.4541 4.5212 4.5212 4.5749 4.5749 4.7260 4.7260 5.0359 5.0359 5.0866 5.0866 5.1589 5.1589 6.8034 6.8034 6.9650 6.9650 7.1210 7.1210 7.7496 7.7496 8.2360 8.2360 10.7873 10.7873 13.5383 13.5383 13.7379 13.7379 k = 0.3529 0.2047 0.9275 ( 3823 PWs) bands (ev): -25.7681 -25.7681 -8.6408 -8.6408 -7.5295 -7.5295 -7.4990 -7.4990 -0.2129 -0.2129 1.6580 1.6580 3.6827 3.6827 3.7039 3.7039 4.2973 4.2973 4.4522 4.4522 4.5167 4.5167 4.5741 4.5741 4.7286 4.7286 5.0352 5.0352 5.0854 5.0854 5.1655 5.1655 6.7822 6.7822 6.9605 6.9605 7.1364 7.1364 7.7270 7.7270 8.2814 8.2814 10.8421 10.8421 13.4536 13.4536 13.6399 13.6399 k = 0.3676 0.2132 0.9177 ( 3827 PWs) bands (ev): -25.7681 -25.7681 -8.6407 -8.6407 -7.5293 -7.5293 -7.4990 -7.4990 -0.2121 -0.2121 1.6528 1.6528 3.6844 3.6844 3.7076 3.7076 4.2937 4.2937 4.4502 4.4502 4.5124 4.5124 4.5732 4.5732 4.7312 4.7312 5.0335 5.0335 5.0844 5.0844 5.1714 5.1714 6.7593 6.7593 6.9567 6.9567 7.1543 7.1543 7.7079 7.7079 8.3262 8.3262 10.9015 10.9015 13.3750 13.3750 13.5390 13.5390 k = 0.3824 0.2218 0.9078 ( 3833 PWs) bands (ev): -25.7681 -25.7681 -8.6406 -8.6406 -7.5290 -7.5290 -7.4990 -7.4990 -0.2113 -0.2113 1.6467 1.6467 3.6860 3.6860 3.7122 3.7122 4.2900 4.2900 4.4481 4.4481 4.5080 4.5080 4.5724 4.5724 4.7338 4.7338 5.0307 5.0307 5.0835 5.0835 5.1758 5.1758 6.7345 6.7345 6.9537 6.9537 7.1764 7.1764 7.6916 7.6916 8.3700 8.3700 10.9641 10.9641 13.3030 13.3030 13.4380 13.4380 k = 0.3971 0.2303 0.8979 ( 3829 PWs) bands (ev): -25.7681 -25.7681 -8.6405 -8.6405 -7.5287 -7.5287 -7.4990 -7.4990 -0.2102 -0.2102 1.6398 1.6398 3.6877 3.6877 3.7176 3.7176 4.2866 4.2866 4.4461 4.4461 4.5035 4.5035 4.5718 4.5718 4.7364 4.7364 5.0270 5.0270 5.0827 5.0827 5.1785 5.1785 6.7082 6.7082 6.9514 6.9514 7.2039 7.2039 7.6774 7.6774 8.4126 8.4126 11.0283 11.0283 13.2379 13.2379 13.3398 13.3398 k = 0.4118 0.2388 0.8881 ( 3831 PWs) bands (ev): -25.7682 -25.7682 -8.6404 -8.6404 -7.5284 -7.5284 -7.4991 -7.4991 -0.2090 -0.2090 1.6320 1.6320 3.6893 3.6893 3.7239 3.7239 4.2833 4.2833 4.4444 4.4444 4.4987 4.4987 4.5716 4.5716 4.7389 4.7389 5.0224 5.0224 5.0819 5.0819 5.1790 5.1790 6.6809 6.6809 6.9498 6.9498 7.2377 7.2377 7.6644 7.6644 8.4534 8.4534 11.0922 11.0922 13.1801 13.1801 13.2471 13.2471 k = 0.4265 0.2474 0.8782 ( 3835 PWs) bands (ev): -25.7682 -25.7682 -8.6402 -8.6402 -7.5281 -7.5281 -7.4991 -7.4991 -0.2077 -0.2077 1.6234 1.6234 3.6910 3.6910 3.7309 3.7309 4.2804 4.2804 4.4429 4.4429 4.4933 4.4933 4.5717 4.5717 4.7413 4.7413 5.0169 5.0169 5.0810 5.0810 5.1771 5.1771 6.6535 6.6535 6.9488 6.9488 7.2783 7.2783 7.6519 7.6519 8.4923 8.4923 11.1535 11.1535 13.1296 13.1296 13.1631 13.1631 k = 0.4412 0.2559 0.8684 ( 3837 PWs) bands (ev): -25.7682 -25.7682 -8.6401 -8.6401 -7.5277 -7.5277 -7.4991 -7.4991 -0.2062 -0.2062 1.6140 1.6140 3.6925 3.6925 3.7387 3.7387 4.2778 4.2778 4.4417 4.4417 4.4875 4.4875 4.5723 4.5723 4.7437 4.7437 5.0108 5.0108 5.0800 5.0800 5.1729 5.1729 6.6270 6.6270 6.9486 6.9486 7.3258 7.3258 7.6394 7.6394 8.5287 8.5287 11.2097 11.2097 13.0814 13.0814 13.0958 13.0958 k = 0.4559 0.2644 0.8585 ( 3839 PWs) bands (ev): -25.7683 -25.7683 -8.6399 -8.6399 -7.5273 -7.5273 -7.4992 -7.4992 -0.2047 -0.2047 1.6040 1.6040 3.6940 3.6940 3.7472 3.7472 4.2755 4.2755 4.4409 4.4409 4.4812 4.4812 4.5731 4.5731 4.7458 4.7458 5.0041 5.0041 5.0786 5.0786 5.1664 5.1664 6.6022 6.6022 6.9489 6.9489 7.3800 7.3800 7.6263 7.6263 8.5624 8.5624 11.2581 11.2581 13.0255 13.0255 13.0585 13.0585 k = 0.4706 0.2730 0.8486 ( 3847 PWs) bands (ev): -25.7683 -25.7683 -8.6397 -8.6397 -7.5269 -7.5269 -7.4992 -7.4992 -0.2031 -0.2031 1.5935 1.5935 3.6954 3.6954 3.7563 3.7563 4.2735 4.2735 4.4402 4.4402 4.4745 4.4745 4.5740 4.5740 4.7478 4.7478 4.9968 4.9968 5.0768 5.0768 5.1580 5.1580 6.5799 6.5799 6.9499 6.9499 7.4405 7.4405 7.6124 7.6124 8.5929 8.5929 11.2959 11.2959 12.9823 12.9823 13.0339 13.0339 k = 0.4853 0.2815 0.8388 ( 3848 PWs) bands (ev): -25.7684 -25.7684 -8.6395 -8.6395 -7.5264 -7.5264 -7.4992 -7.4992 -0.2016 -0.2016 1.5825 1.5825 3.6966 3.6966 3.7662 3.7662 4.2718 4.2718 4.4396 4.4396 4.4679 4.4679 4.5752 4.5752 4.7495 4.7495 4.9891 4.9891 5.0742 5.0742 5.1482 5.1482 6.5610 6.5610 6.9515 6.9515 7.5063 7.5063 7.5979 7.5979 8.6201 8.6201 11.3207 11.3207 12.9576 12.9576 13.0189 13.0189 k = 0.5000 0.2900 0.8289 ( 3846 PWs) bands (ev): -25.7684 -25.7684 -8.6393 -8.6393 -7.5259 -7.5259 -7.4993 -7.4993 -0.2001 -0.2001 1.5713 1.5713 3.6975 3.6975 3.7766 3.7766 4.2702 4.2702 4.4381 4.4381 4.4620 4.4620 4.5762 4.5762 4.7509 4.7509 4.9810 4.9810 5.0706 5.0706 5.1378 5.1378 6.5459 6.5459 6.9538 6.9538 7.5641 7.5641 7.5954 7.5954 8.6436 8.6436 11.3312 11.3312 12.9529 12.9529 13.0134 13.0134 k = 0.5000 0.2900 0.8289 ( 3846 PWs) bands (ev): -25.7684 -25.7684 -8.6393 -8.6393 -7.5259 -7.5259 -7.4993 -7.4993 -0.2001 -0.2001 1.5713 1.5713 3.6975 3.6975 3.7766 3.7766 4.2702 4.2702 4.4381 4.4381 4.4620 4.4620 4.5762 4.5762 4.7509 4.7509 4.9810 4.9810 5.0706 5.0706 5.1378 5.1378 6.5459 6.5459 6.9538 6.9538 7.5641 7.5641 7.5954 7.5954 8.6436 8.6436 11.3312 11.3312 12.9529 12.9529 13.0134 13.0134 k = 0.5000 0.2900 0.8092 ( 3842 PWs) bands (ev): -25.7685 -25.7685 -8.6388 -8.6388 -7.5249 -7.5249 -7.4993 -7.4993 -0.1973 -0.1973 1.5476 1.5476 3.6991 3.6991 3.7991 3.7991 4.2668 4.2668 4.4323 4.4323 4.4530 4.4530 4.5782 4.5782 4.7533 4.7533 4.9640 4.9640 5.0591 5.0591 5.1193 5.1193 6.5195 6.5195 6.9595 6.9595 7.6099 7.6099 7.6692 7.6692 8.6889 8.6889 11.3379 11.3379 12.9590 12.9590 13.0121 13.0121 k = 0.5000 0.2900 0.7894 ( 3834 PWs) bands (ev): -25.7686 -25.7686 -8.6383 -8.6383 -7.5237 -7.5237 -7.4994 -7.4994 -0.1944 -0.1944 1.5219 1.5219 3.7007 3.7007 3.8232 3.8232 4.2623 4.2623 4.4235 4.4235 4.4466 4.4466 4.5795 4.5795 4.7557 4.7557 4.9462 4.9462 5.0417 5.0417 5.1068 5.1068 6.4926 6.4926 6.9660 6.9660 7.6596 7.6596 7.7490 7.7490 8.7386 8.7386 11.3460 11.3460 12.9538 12.9538 13.0108 13.0108 k = 0.5000 0.2900 0.7697 ( 3822 PWs) bands (ev): -25.7688 -25.7688 -8.6377 -8.6377 -7.5224 -7.5224 -7.4994 -7.4994 -0.1918 -0.1918 1.4944 1.4944 3.7025 3.7025 3.8485 3.8485 4.2569 4.2569 4.4129 4.4129 4.4422 4.4422 4.5802 4.5802 4.7579 4.7579 4.9277 4.9277 5.0198 5.0198 5.0993 5.0993 6.4659 6.4659 6.9732 6.9732 7.7134 7.7134 7.8338 7.8338 8.7924 8.7924 11.3558 11.3558 12.9361 12.9361 13.0099 13.0099 k = 0.5000 0.2900 0.7500 ( 3822 PWs) bands (ev): -25.7689 -25.7689 -8.6370 -8.6370 -7.5210 -7.5210 -7.4994 -7.4994 -0.1893 -0.1893 1.4652 1.4652 3.7042 3.7042 3.8744 3.8744 4.2507 4.2507 4.4015 4.4015 4.4384 4.4384 4.5799 4.5799 4.7598 4.7598 4.9086 4.9086 4.9967 4.9967 5.0949 5.0949 6.4403 6.4403 6.9813 6.9813 7.7711 7.7711 7.9229 7.9229 8.8501 8.8501 11.3674 11.3674 12.9058 12.9058 13.0093 13.0093 k = 0.5000 0.2900 0.7302 ( 3818 PWs) bands (ev): -25.7690 -25.7690 -8.6364 -8.6364 -7.5195 -7.5195 -7.4994 -7.4994 -0.1871 -0.1871 1.4346 1.4346 3.7060 3.7060 3.9002 3.9002 4.2445 4.2445 4.3899 4.3899 4.4347 4.4347 4.5784 4.5784 4.7612 4.7612 4.8891 4.8891 4.9745 4.9745 5.0920 5.0920 6.4166 6.4166 6.9902 6.9902 7.8324 7.8324 8.0159 8.0159 8.9116 8.9116 11.3812 11.3812 12.8641 12.8641 13.0094 13.0094 k = 0.5000 0.2900 0.7105 ( 3812 PWs) bands (ev): -25.7692 -25.7692 -8.6356 -8.6356 -7.5179 -7.5179 -7.4994 -7.4994 -0.1854 -0.1854 1.4028 1.4028 3.7077 3.7077 3.9247 3.9247 4.2391 4.2391 4.3783 4.3783 4.4310 4.4310 4.5754 4.5754 4.7621 4.7621 4.8692 4.8692 4.9549 4.9549 5.0901 5.0901 6.3955 6.3955 7.0000 7.0000 7.8970 7.8970 8.1123 8.1123 8.9766 8.9766 11.3973 11.3973 12.8127 12.8127 13.0102 13.0102 k = 0.5000 0.2900 0.6908 ( 3816 PWs) bands (ev): -25.7693 -25.7693 -8.6348 -8.6348 -7.5162 -7.5162 -7.4994 -7.4994 -0.1842 -0.1842 1.3698 1.3698 3.7095 3.7095 3.9463 3.9463 4.2356 4.2356 4.3665 4.3665 4.4271 4.4271 4.5707 4.5707 4.7624 4.7624 4.8494 4.8494 4.9388 4.9388 5.0890 5.0890 6.3778 6.3778 7.0106 7.0106 7.9646 7.9646 8.2114 8.2114 9.0451 9.0451 11.4159 11.4159 12.7537 12.7537 13.0117 13.0117 k = 0.5000 0.2900 0.6710 ( 3812 PWs) bands (ev): -25.7695 -25.7695 -8.6340 -8.6340 -7.5144 -7.5144 -7.4993 -7.4993 -0.1836 -0.1836 1.3360 1.3360 3.7112 3.7112 3.9634 3.9634 4.2354 4.2354 4.3541 4.3541 4.4233 4.4233 4.5642 4.5642 4.7621 4.7621 4.8301 4.8301 4.9265 4.9265 5.0885 5.0885 6.3641 6.3641 7.0222 7.0222 8.0348 8.0348 8.3130 8.3130 9.1168 9.1168 11.4374 11.4374 12.6892 12.6892 13.0139 13.0139 k = 0.5000 0.2900 0.6513 ( 3816 PWs) bands (ev): -25.7697 -25.7697 -8.6332 -8.6332 -7.5126 -7.5126 -7.4991 -7.4991 -0.1836 -0.1836 1.3014 1.3014 3.7129 3.7129 3.9741 3.9741 4.2394 4.2394 4.3411 4.3411 4.4199 4.4199 4.5562 4.5562 4.7612 4.7612 4.8120 4.8120 4.9179 4.9179 5.0887 5.0887 6.3552 6.3552 7.0347 7.0347 8.1073 8.1073 8.4164 8.4164 9.1915 9.1915 11.4621 11.4621 12.6210 12.6210 13.0167 13.0167 k = 0.5000 0.2900 0.6316 ( 3808 PWs) bands (ev): -25.7699 -25.7699 -8.6322 -8.6322 -7.5107 -7.5107 -7.4989 -7.4989 -0.1845 -0.1845 1.2662 1.2662 3.7145 3.7145 3.9777 3.9777 4.2473 4.2473 4.3270 4.3270 4.4174 4.4174 4.5475 4.5475 4.7602 4.7602 4.7957 4.7957 4.9128 4.9128 5.0897 5.0897 6.3513 6.3513 7.0482 7.0482 8.1817 8.1817 8.5212 8.5212 9.2692 9.2692 11.4902 11.4902 12.5506 12.5506 13.0197 13.0197 k = 0.5000 0.2900 0.6118 ( 3812 PWs) bands (ev): -25.7700 -25.7700 -8.6313 -8.6313 -7.5089 -7.5089 -7.4985 -7.4985 -0.1862 -0.1862 1.2306 1.2306 3.7161 3.7161 3.9742 3.9742 4.2570 4.2570 4.3119 4.3119 4.4157 4.4157 4.5397 4.5397 4.7591 4.7591 4.7816 4.7816 4.9105 4.9105 5.0914 5.0914 6.3531 6.3531 7.0628 7.0628 8.2577 8.2577 8.6269 8.6269 9.3497 9.3497 11.5221 11.5221 12.4795 12.4795 13.0226 13.0226 k = 0.5000 0.2900 0.5921 ( 3816 PWs) bands (ev): -25.7702 -25.7702 -8.6303 -8.6303 -7.5071 -7.5071 -7.4980 -7.4980 -0.1887 -0.1887 1.1948 1.1948 3.7177 3.7177 3.9648 3.9648 4.2646 4.2646 4.2968 4.2968 4.4140 4.4140 4.5359 4.5359 4.7582 4.7582 4.7698 4.7698 4.9105 4.9105 5.0940 5.0940 6.3608 6.3608 7.0784 7.0784 8.3348 8.3348 8.7330 8.7330 9.4327 9.4327 11.5580 11.5580 12.4088 12.4088 13.0244 13.0244 k = 0.5000 0.2900 0.5723 ( 3830 PWs) bands (ev): -25.7704 -25.7704 -8.6293 -8.6293 -7.5055 -7.5055 -7.4972 -7.4972 -0.1923 -0.1923 1.1589 1.1589 3.7191 3.7191 3.9508 3.9508 4.2625 4.2625 4.2866 4.2866 4.4094 4.4094 4.5402 4.5402 4.7569 4.7569 4.7613 4.7613 4.9126 4.9126 5.0976 5.0976 6.3746 6.3746 7.0951 7.0951 8.4127 8.4127 8.8390 8.8390 9.5183 9.5183 11.5982 11.5982 12.3397 12.3397 13.0233 13.0233 k = 0.5000 0.2900 0.5526 ( 3832 PWs) bands (ev): -25.7706 -25.7706 -8.6283 -8.6283 -7.5042 -7.5042 -7.4960 -7.4960 -0.1967 -0.1967 1.1230 1.1230 3.7205 3.7205 3.9334 3.9334 4.2470 4.2470 4.2842 4.2842 4.3998 4.3998 4.5552 4.5552 4.7507 4.7507 4.7606 4.7606 4.9164 4.9164 5.1023 5.1023 6.3945 6.3945 7.1131 7.1131 8.4909 8.4909 8.9444 8.9444 9.6062 9.6062 11.6430 11.6430 12.2731 12.2731 13.0157 13.0157 k = 0.5000 0.2900 0.5329 ( 3840 PWs) bands (ev): -25.7708 -25.7708 -8.6272 -8.6272 -7.5031 -7.5031 -7.4944 -7.4944 -0.2022 -0.2022 1.0873 1.0873 3.7217 3.7217 3.9136 3.9136 4.2264 4.2264 4.2819 4.2819 4.3851 4.3851 4.5792 4.5792 4.7441 4.7441 4.7633 4.7633 4.9216 4.9216 5.1083 5.1083 6.4207 6.4207 7.1324 7.1324 8.5689 8.5689 9.0487 9.0487 9.6963 9.6963 11.6926 11.6926 12.2099 12.2099 12.9949 12.9949 k = 0.5000 0.2900 0.5131 ( 3838 PWs) bands (ev): -25.7710 -25.7710 -8.6261 -8.6261 -7.5024 -7.5024 -7.4925 -7.4925 -0.2086 -0.2086 1.0519 1.0519 3.7228 3.7228 3.8922 3.8922 4.2037 4.2037 4.2774 4.2774 4.3672 4.3672 4.6087 4.6087 4.7386 4.7386 4.7686 4.7686 4.9285 4.9285 5.1157 5.1157 6.4530 6.4530 7.1530 7.1530 8.6463 8.6463 9.1516 9.1516 9.7885 9.7885 11.7473 11.7473 12.1509 12.1509 12.9503 12.9503 k = 0.5000 0.2900 0.4934 ( 3836 PWs) bands (ev): -25.7712 -25.7712 -8.6250 -8.6250 -7.5018 -7.5018 -7.4902 -7.4902 -0.2160 -0.2160 1.0169 1.0169 3.7236 3.7236 3.8695 3.8695 4.1799 4.1799 4.2706 4.2706 4.3479 4.3479 4.6395 4.6395 4.7340 4.7340 4.7769 4.7769 4.9372 4.9372 5.1246 5.1246 6.4912 6.4912 7.1751 7.1751 8.7223 8.7223 9.2524 9.2524 9.8827 9.8827 11.8068 11.8068 12.0973 12.0973 12.8735 12.8735 k = 0.5000 0.2900 0.4737 ( 3828 PWs) bands (ev): -25.7714 -25.7714 -8.6238 -8.6238 -7.5014 -7.5014 -7.4878 -7.4878 -0.2243 -0.2243 0.9824 0.9824 3.7239 3.7239 3.8464 3.8464 4.1554 4.1554 4.2615 4.2615 4.3286 4.3286 4.6679 4.6679 4.7302 4.7302 4.7893 4.7893 4.9483 4.9483 5.1354 5.1354 6.5351 6.5351 7.1987 7.1987 8.7965 8.7965 9.3508 9.3508 9.9787 9.9787 11.8708 11.8708 12.0502 12.0502 12.7677 12.7677 k = 0.5000 0.2900 0.4539 ( 3824 PWs) bands (ev): -25.7716 -25.7716 -8.6227 -8.6227 -7.5010 -7.5010 -7.4852 -7.4852 -0.2336 -0.2336 0.9486 0.9486 3.7235 3.7235 3.8234 3.8234 4.1307 4.1307 4.2500 4.2500 4.3107 4.3107 4.6913 4.6913 4.7272 4.7272 4.8056 4.8056 4.9626 4.9626 5.1482 5.1482 6.5846 6.5846 7.2240 7.2240 8.8683 8.8683 9.4465 9.4465 10.0763 10.0763 11.9351 11.9351 12.0142 12.0142 12.6433 12.6433 k = 0.5000 0.2900 0.4342 ( 3824 PWs) bands (ev): -25.7718 -25.7718 -8.6215 -8.6215 -7.5007 -7.5007 -7.4826 -7.4826 -0.2436 -0.2436 0.9156 0.9156 3.7214 3.7214 3.8014 3.8014 4.1059 4.1059 4.2359 4.2359 4.2949 4.2949 4.7089 4.7089 4.7251 4.7251 4.8242 4.8242 4.9812 4.9812 5.1634 5.1634 6.6392 6.6392 7.2509 7.2509 8.9368 8.9368 9.5391 9.5391 10.1755 10.1755 11.9571 11.9571 12.0325 12.0325 12.5088 12.5088 k = 0.5000 0.2900 0.4145 ( 3824 PWs) bands (ev): -25.7720 -25.7720 -8.6204 -8.6204 -7.5004 -7.5004 -7.4799 -7.4799 -0.2543 -0.2543 0.8834 0.8834 3.7164 3.7164 3.7822 3.7822 4.0812 4.0812 4.2195 4.2195 4.2814 4.2814 4.7219 4.7219 4.7238 4.7238 4.8419 4.8419 5.0042 5.0042 5.1815 5.1815 6.6986 6.6986 7.2797 7.2797 9.0016 9.0016 9.6284 9.6284 10.2761 10.2761 11.9363 11.9363 12.1053 12.1053 12.3695 12.3695 k = 0.5000 0.2900 0.3947 ( 3828 PWs) bands (ev): -25.7722 -25.7722 -8.6193 -8.6193 -7.5001 -7.5001 -7.4772 -7.4772 -0.2657 -0.2657 0.8521 0.8521 3.7062 3.7062 3.7682 3.7682 4.0570 4.0570 4.2015 4.2015 4.2696 4.2696 4.7230 4.7230 4.7323 4.7323 4.8567 4.8567 5.0310 5.0310 5.2031 5.2031 6.7625 6.7625 7.3105 7.3105 9.0619 9.0619 9.7142 9.7142 10.3780 10.3780 11.9180 11.9180 12.1838 12.1838 12.2309 12.2309 k = 0.5000 0.2900 0.3750 ( 3812 PWs) bands (ev): -25.7724 -25.7724 -8.6181 -8.6181 -7.4998 -7.4998 -7.4744 -7.4744 -0.2777 -0.2777 0.8218 0.8218 3.6901 3.6901 3.7602 3.7602 4.0333 4.0333 4.1830 4.1830 4.2592 4.2592 4.7231 4.7231 4.7409 4.7409 4.8681 4.8681 5.0593 5.0593 5.2290 5.2290 6.8305 6.8305 7.3432 7.3432 9.1172 9.1172 9.7965 9.7965 10.4809 10.4809 11.9063 11.9063 12.0851 12.0851 12.2723 12.2723 k = 0.5000 0.2900 0.3552 ( 3812 PWs) bands (ev): -25.7726 -25.7726 -8.6170 -8.6170 -7.4996 -7.4996 -7.4717 -7.4717 -0.2900 -0.2900 0.7927 0.7927 3.6700 3.6700 3.7565 3.7565 4.0103 4.0103 4.1644 4.1644 4.2495 4.2495 4.7240 4.7240 4.7485 4.7485 4.8765 4.8765 5.0868 5.0868 5.2595 5.2595 6.9022 6.9022 7.3780 7.3780 9.1670 9.1670 9.8753 9.8753 10.5846 10.5846 11.8933 11.8933 11.9538 11.9538 12.3550 12.3550 k = 0.5000 0.2900 0.3355 ( 3816 PWs) bands (ev): -25.7727 -25.7727 -8.6159 -8.6159 -7.4993 -7.4993 -7.4690 -7.4690 -0.3027 -0.3027 0.7647 0.7647 3.6481 3.6481 3.7551 3.7551 3.9880 3.9880 4.1464 4.1464 4.2402 4.2402 4.7254 4.7254 4.7556 4.7556 4.8828 4.8828 5.1121 5.1121 5.2944 5.2944 6.9771 6.9771 7.4149 7.4149 9.2109 9.2109 9.9505 9.9505 10.6889 10.6889 11.7920 11.7920 11.9193 11.9193 12.4326 12.4326 k = 0.5000 0.2900 0.3158 ( 3820 PWs) bands (ev): -25.7729 -25.7729 -8.6149 -8.6149 -7.4991 -7.4991 -7.4664 -7.4664 -0.3156 -0.3156 0.7380 0.7380 3.6256 3.6256 3.7549 3.7549 3.9667 3.9667 4.1291 4.1291 4.2312 4.2312 4.7274 4.7274 4.7624 4.7624 4.8874 4.8874 5.1346 5.1346 5.3327 5.3327 7.0549 7.0549 7.4540 7.4540 9.2487 9.2487 10.0223 10.0223 10.7936 10.7936 11.6553 11.6553 11.9284 11.9284 12.4982 12.4982 k = 0.5000 0.2900 0.2960 ( 3820 PWs) bands (ev): -25.7731 -25.7731 -8.6138 -8.6138 -7.4988 -7.4988 -7.4637 -7.4637 -0.3286 -0.3286 0.7126 0.7126 3.6034 3.6034 3.7553 3.7553 3.9464 3.9464 4.1129 4.1129 4.2224 4.2224 4.7299 4.7299 4.7691 4.7691 4.8909 4.8909 5.1547 5.1547 5.3732 5.3732 7.1350 7.1350 7.4952 7.4952 9.2805 9.2805 10.0909 10.0909 10.8984 10.8984 11.5188 11.5188 11.9442 11.9442 12.5431 12.5431 k = 0.5000 0.2900 0.2763 ( 3816 PWs) bands (ev): -25.7732 -25.7732 -8.6128 -8.6128 -7.4986 -7.4986 -7.4612 -7.4612 -0.3414 -0.3414 0.6885 0.6885 3.5817 3.5817 3.7559 3.7559 3.9271 3.9271 4.0980 4.0980 4.2136 4.2136 4.7327 4.7327 4.7757 4.7757 4.8935 4.8935 5.1725 5.1725 5.4148 5.4148 7.2168 7.2168 7.5385 7.5385 9.3063 9.3063 10.1563 10.1563 11.0028 11.0028 11.3846 11.3846 11.9611 11.9611 12.5599 12.5599 k = 0.5000 0.2900 0.2566 ( 3814 PWs) bands (ev): -25.7734 -25.7734 -8.6119 -8.6119 -7.4983 -7.4983 -7.4588 -7.4588 -0.3541 -0.3541 0.6659 0.6659 3.5609 3.5609 3.7567 3.7567 3.9089 3.9089 4.0843 4.0843 4.2049 4.2049 4.7356 4.7356 4.7823 4.7823 4.8956 4.8956 5.1887 5.1887 5.4562 5.4562 7.2997 7.2997 7.5838 7.5838 9.3265 9.3265 10.2187 10.2187 11.1064 11.1064 11.2537 11.2537 11.9735 11.9735 12.5479 12.5479 k = 0.5000 0.2900 0.2368 ( 3804 PWs) bands (ev): -25.7735 -25.7735 -8.6110 -8.6110 -7.4981 -7.4981 -7.4564 -7.4564 -0.3665 -0.3665 0.6448 0.6448 3.5411 3.5411 3.7574 3.7574 3.8918 3.8918 4.0721 4.0721 4.1964 4.1964 4.7387 4.7387 4.7890 4.7890 4.8971 4.8971 5.2034 5.2034 5.4966 5.4966 7.3832 7.3832 7.6307 7.6307 9.3416 9.3416 10.2781 10.2781 11.1255 11.1255 11.2099 11.2099 11.9740 11.9740 12.5132 12.5132 k = 0.5000 0.2900 0.2171 ( 3806 PWs) bands (ev): -25.7737 -25.7737 -8.6101 -8.6101 -7.4979 -7.4979 -7.4542 -7.4542 -0.3784 -0.3784 0.6251 0.6251 3.5225 3.5225 3.7581 3.7581 3.8759 3.8759 4.0612 4.0612 4.1879 4.1879 4.7418 4.7418 4.7955 4.7955 4.8983 4.8983 5.2168 5.2168 5.5352 5.5352 7.4663 7.4663 7.6790 7.6790 9.3521 9.3521 10.3347 10.3347 11.0031 11.0031 11.3102 11.3102 11.9558 11.9558 12.4642 12.4642 k = 0.5000 0.2900 0.1974 ( 3808 PWs) bands (ev): -25.7738 -25.7738 -8.6093 -8.6093 -7.4977 -7.4977 -7.4522 -7.4522 -0.3897 -0.3897 0.6071 0.6071 3.5052 3.5052 3.7588 3.7588 3.8611 3.8611 4.0518 4.0518 4.1797 4.1797 4.7447 4.7447 4.8020 4.8020 4.8991 4.8991 5.2290 5.2290 5.5717 5.5717 7.5483 7.5483 7.7284 7.7284 9.3589 9.3589 10.3883 10.3883 10.8854 10.8854 11.4083 11.4083 11.9165 11.9165 12.4075 12.4075 k = 0.5000 0.2900 0.1776 ( 3818 PWs) bands (ev): -25.7739 -25.7739 -8.6086 -8.6086 -7.4975 -7.4975 -7.4502 -7.4502 -0.4003 -0.4003 0.5906 0.5906 3.4893 3.4893 3.7593 3.7593 3.8475 3.8475 4.0438 4.0438 4.1717 4.1717 4.7475 4.7475 4.8083 4.8083 4.8997 4.8997 5.2400 5.2400 5.6054 5.6054 7.6282 7.6282 7.7781 7.7781 9.3624 9.3624 10.4390 10.4390 10.7736 10.7736 11.5030 11.5030 11.8594 11.8594 12.3477 12.3477 k = 0.5000 0.2900 0.1579 ( 3814 PWs) bands (ev): -25.7740 -25.7740 -8.6079 -8.6079 -7.4973 -7.4973 -7.4485 -7.4485 -0.4101 -0.4101 0.5758 0.5758 3.4749 3.4749 3.7599 3.7599 3.8352 3.8352 4.0373 4.0373 4.1641 4.1641 4.7501 4.7501 4.8145 4.8145 4.9001 4.9001 5.2500 5.2500 5.6362 5.6362 7.7049 7.7049 7.8276 7.8276 9.3634 9.3634 10.4862 10.4862 10.6688 10.6688 11.5928 11.5928 11.7916 11.7916 12.2880 12.2880 k = 0.5000 0.2900 0.1382 ( 3804 PWs) bands (ev): -25.7741 -25.7741 -8.6073 -8.6073 -7.4972 -7.4972 -7.4469 -7.4469 -0.4190 -0.4190 0.5626 0.5626 3.4621 3.4621 3.7604 3.7604 3.8241 3.8241 4.0320 4.0320 4.1569 4.1569 4.7525 4.7525 4.8203 4.8203 4.9003 4.9003 5.2589 5.2589 5.6638 5.6638 7.7772 7.7772 7.8761 7.8761 9.3625 9.3625 10.5274 10.5274 10.5744 10.5744 11.6709 11.6709 11.7252 11.7252 12.2308 12.2308 k = 0.5000 0.2900 0.1184 ( 3804 PWs) bands (ev): -25.7742 -25.7742 -8.6068 -8.6068 -7.4970 -7.4970 -7.4455 -7.4455 -0.4269 -0.4269 0.5512 0.5512 3.4509 3.4509 3.7610 3.7610 3.8142 3.8142 4.0278 4.0278 4.1503 4.1503 4.7545 4.7545 4.8256 4.8256 4.9003 4.9003 5.2666 5.2666 5.6881 5.6881 7.8436 7.8436 7.9224 7.9224 9.3603 9.3603 10.4798 10.4798 10.5737 10.5737 11.6397 11.6397 11.7618 11.7618 12.1778 12.1778 k = 0.5000 0.2900 0.0987 ( 3796 PWs) bands (ev): -25.7742 -25.7742 -8.6063 -8.6063 -7.4969 -7.4969 -7.4443 -7.4443 -0.4338 -0.4338 0.5415 0.5415 3.4413 3.4413 3.7617 3.7617 3.8054 3.8054 4.0247 4.0247 4.1444 4.1444 4.7563 4.7563 4.8305 4.8305 4.9002 4.9002 5.2733 5.2733 5.7087 5.7087 7.9028 7.9028 7.9656 7.9656 9.3575 9.3575 10.4024 10.4024 10.6087 10.6087 11.5736 11.5736 11.8296 11.8296 12.1307 12.1307 k = 0.5000 0.2900 0.0789 ( 3804 PWs) bands (ev): -25.7743 -25.7743 -8.6060 -8.6060 -7.4968 -7.4968 -7.4433 -7.4433 -0.4395 -0.4395 0.5335 0.5335 3.4334 3.4334 3.7626 3.7626 3.7979 3.7979 4.0225 4.0225 4.1393 4.1393 4.7577 4.7577 4.8346 4.8346 4.9000 4.9000 5.2787 5.2787 5.7257 5.7257 7.9533 7.9533 8.0042 8.0042 9.3543 9.3543 10.3357 10.3357 10.6394 10.6394 11.5143 11.5143 11.8880 11.8880 12.0912 12.0912 k = 0.5000 0.2900 0.0592 ( 3824 PWs) bands (ev): -25.7743 -25.7743 -8.6057 -8.6057 -7.4967 -7.4967 -7.4425 -7.4425 -0.4440 -0.4440 0.5272 0.5272 3.4271 3.4271 3.7635 3.7635 3.7915 3.7915 4.0209 4.0209 4.1351 4.1351 4.7588 4.7588 4.8380 4.8380 4.8998 4.8998 5.2829 5.2829 5.7390 5.7390 7.9937 7.9937 8.0369 8.0369 9.3514 9.3514 10.2818 10.2818 10.6644 10.6644 11.4654 11.4654 11.9330 11.9330 12.0618 12.0618 k = 0.5000 0.2900 0.0395 ( 3830 PWs) bands (ev): -25.7744 -25.7744 -8.6055 -8.6055 -7.4967 -7.4967 -7.4420 -7.4420 -0.4472 -0.4472 0.5228 0.5228 3.4227 3.4227 3.7646 3.7646 3.7866 3.7866 4.0200 4.0200 4.1320 4.1320 4.7596 4.7596 4.8405 4.8405 4.8996 4.8996 5.2859 5.2859 5.7485 5.7485 8.0230 8.0230 8.0620 8.0620 9.3491 9.3491 10.2420 10.2420 10.6830 10.6830 11.4289 11.4289 11.9606 11.9606 12.0459 12.0459 k = 0.5000 0.2900 0.0197 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6054 -8.6054 -7.4966 -7.4966 -7.4416 -7.4416 -0.4492 -0.4492 0.5201 0.5201 3.4201 3.4201 3.7656 3.7656 3.7832 3.7832 4.0194 4.0194 4.1301 4.1301 4.7601 4.7601 4.8420 4.8420 4.8995 4.8995 5.2876 5.2876 5.7543 5.7543 8.0407 8.0407 8.0779 8.0779 9.3475 9.3475 10.2177 10.2177 10.6944 10.6944 11.4064 11.4064 11.9703 11.9703 12.0434 12.0434 k = 0.5000 0.2900-0.0000 ( 3834 PWs) bands (ev): -25.7744 -25.7744 -8.6053 -8.6053 -7.4966 -7.4966 -7.4415 -7.4415 -0.4498 -0.4498 0.5192 0.5192 3.4192 3.4192 3.7660 3.7660 3.7820 3.7820 4.0193 4.0193 4.1294 4.1294 4.7602 4.7602 4.8426 4.8426 4.8995 4.8995 5.2882 5.2882 5.7562 5.7562 8.0467 8.0467 8.0833 8.0833 9.3470 9.3470 10.2095 10.2095 10.6983 10.6983 11.3988 11.3988 11.9716 11.9716 12.0447 12.0447 k = 0.0000 0.0000 0.9965 ( 3820 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6732 1.6732 3.6767 3.6767 3.6943 3.6943 4.2749 4.2749 4.4501 4.4501 4.5290 4.5290 4.5596 4.5596 4.7381 4.7381 5.0578 5.0578 5.0922 5.0922 5.2703 5.2703 6.6715 6.6715 6.9345 6.9345 7.2610 7.2610 7.3907 7.3907 8.4499 8.4499 11.3104 11.3104 12.8054 12.8054 13.0202 13.0202 k = 0.0167 0.0097 0.9965 ( 3816 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6732 1.6732 3.6766 3.6766 3.6944 3.6944 4.2753 4.2753 4.4502 4.4502 4.5289 4.5289 4.5598 4.5598 4.7380 4.7380 5.0577 5.0577 5.0923 5.0923 5.2685 5.2685 6.6742 6.6742 6.9348 6.9348 7.2546 7.2546 7.3988 7.3988 8.4470 8.4470 11.2989 11.2989 12.8214 12.8214 13.0262 13.0262 k = 0.0333 0.0193 0.9965 ( 3818 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6732 1.6732 3.6766 3.6766 3.6944 3.6944 4.2765 4.2765 4.4505 4.4505 4.5289 4.5289 4.5603 4.5603 4.7375 4.7375 5.0573 5.0573 5.0923 5.0923 5.2631 5.2631 6.6819 6.6819 6.9357 6.9357 7.2387 7.2387 7.4195 7.4195 8.4383 8.4383 11.2661 11.2661 12.8677 12.8677 13.0439 13.0439 k = 0.0500 0.0290 0.9965 ( 3818 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6731 1.6731 3.6764 3.6764 3.6945 3.6945 4.2786 4.2786 4.4510 4.4510 4.5289 4.5289 4.5612 4.5612 4.7368 4.7368 5.0566 5.0566 5.0923 5.0923 5.2545 5.2545 6.6943 6.6943 6.9372 6.9372 7.2187 7.2187 7.4478 7.4478 8.4240 8.4240 11.2161 11.2161 12.9400 12.9400 13.0733 13.0733 k = 0.0667 0.0387 0.9965 ( 3834 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6731 1.6731 3.6762 3.6762 3.6946 3.6946 4.2812 4.2812 4.4516 4.4516 4.5290 4.5290 4.5622 4.5622 4.7357 4.7357 5.0556 5.0556 5.0923 5.0923 5.2432 5.2432 6.7108 6.7108 6.9394 6.9394 7.1973 7.1973 7.4807 7.4807 8.4044 8.4044 11.1541 11.1541 13.0330 13.0330 13.1141 13.1141 k = 0.0833 0.0483 0.9965 ( 3838 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2146 -0.2146 1.6731 1.6731 3.6760 3.6760 3.6947 3.6947 4.2844 4.2844 4.4524 4.4524 4.5294 4.5294 4.5634 4.5634 4.7344 4.7344 5.0542 5.0542 5.0924 5.0924 5.2299 5.2299 6.7306 6.7306 6.9421 6.9421 7.1759 7.1759 7.5166 7.5166 8.3797 8.3797 11.0851 11.0851 13.1405 13.1405 13.1668 13.1668 k = 0.1000 0.0580 0.9965 ( 3834 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5304 -7.5304 -7.4988 -7.4988 -0.2145 -0.2145 1.6730 1.6730 3.6758 3.6758 3.6948 3.6948 4.2881 4.2881 4.4533 4.4533 4.5300 4.5300 4.5647 4.5647 4.7328 4.7328 5.0525 5.0525 5.0925 5.0925 5.2153 5.2153 6.7529 6.7529 6.9455 6.9455 7.1552 7.1552 7.5550 7.5550 8.3505 8.3505 11.0132 11.0132 13.2257 13.2257 13.2632 13.2632 k = 0.1167 0.0677 0.9965 ( 3832 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4988 -7.4988 -0.2145 -0.2145 1.6730 1.6730 3.6756 3.6756 3.6950 3.6950 4.2921 4.2921 4.4542 4.4542 4.5311 4.5311 4.5660 4.5660 4.7309 4.7309 5.0503 5.0503 5.0928 5.0928 5.2001 5.2001 6.7765 6.7765 6.9495 6.9495 7.1355 7.1355 7.5955 7.5955 8.3172 8.3172 10.9419 10.9419 13.2981 13.2981 13.3892 13.3892 k = 0.1333 0.0773 0.9965 ( 3828 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4988 -7.4988 -0.2145 -0.2145 1.6729 1.6729 3.6754 3.6754 3.6951 3.6951 4.2962 4.2962 4.4552 4.4552 4.5326 4.5326 4.5674 4.5674 4.7288 4.7288 5.0476 5.0476 5.0930 5.0930 5.1853 5.1853 6.8005 6.8005 6.9542 6.9542 7.1169 7.1169 7.6377 7.6377 8.2803 8.2803 10.8736 10.8736 13.3791 13.3791 13.5189 13.5189 k = 0.1500 0.0870 0.9965 ( 3828 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4988 -7.4988 -0.2145 -0.2145 1.6729 1.6729 3.6752 3.6752 3.6952 3.6952 4.3001 4.3001 4.4562 4.4562 4.5345 4.5345 4.5686 4.5686 4.7264 4.7264 5.0445 5.0445 5.0933 5.0933 5.1714 5.1714 6.8239 6.8239 6.9594 6.9594 7.0995 7.0995 7.6815 7.6815 8.2403 8.2403 10.8106 10.8106 13.4686 13.4686 13.6479 13.6479 k = 0.1667 0.0967 0.9965 ( 3836 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4989 -7.4989 -0.2144 -0.2144 1.6728 1.6728 3.6750 3.6750 3.6953 3.6953 4.3038 4.3038 4.4570 4.4570 4.5367 4.5367 4.5697 4.5697 4.7238 4.7238 5.0410 5.0410 5.0935 5.0935 5.1590 5.1590 6.8456 6.8456 6.9651 6.9651 7.0834 7.0834 7.7267 7.7267 8.1977 8.1977 10.7546 10.7546 13.5658 13.5658 13.7717 13.7717 k = 0.1833 0.1063 0.9965 ( 3836 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4989 -7.4989 -0.2144 -0.2144 1.6728 1.6728 3.6749 3.6749 3.6953 3.6953 4.3071 4.3071 4.4577 4.4577 4.5392 4.5392 4.5706 4.5706 4.7213 4.7213 5.0374 5.0374 5.0938 5.0938 5.1488 5.1488 6.8648 6.8648 6.9713 6.9713 7.0688 7.0688 7.7730 7.7730 8.1529 8.1529 10.7068 10.7068 13.6701 13.6701 13.8847 13.8847 k = 0.2000 0.1160 0.9965 ( 3830 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4989 -7.4989 -0.2144 -0.2144 1.6727 1.6727 3.6749 3.6749 3.6953 3.6953 4.3098 4.3098 4.4584 4.4584 4.5416 4.5416 4.5713 4.5713 4.7190 4.7190 5.0340 5.0340 5.0941 5.0941 5.1408 5.1408 6.8807 6.8807 6.9777 6.9777 7.0557 7.0557 7.8203 7.8203 8.1066 8.1066 10.6686 10.6686 13.7807 13.7807 13.9803 13.9803 k = 0.2167 0.1257 0.9965 ( 3816 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5303 -7.5303 -7.4989 -7.4989 -0.2144 -0.2144 1.6727 1.6727 3.6749 3.6749 3.6953 3.6953 4.3119 4.3119 4.4588 4.4588 4.5436 4.5436 4.5718 4.5718 4.7172 4.7172 5.0312 5.0312 5.0943 5.0943 5.1352 5.1352 6.8926 6.8926 6.9839 6.9839 7.0448 7.0448 7.8684 7.8684 8.0591 8.0591 10.6406 10.6406 13.8968 13.8968 14.0523 14.0523 k = 0.2333 0.1353 0.9965 ( 3822 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6727 1.6727 3.6749 3.6749 3.6952 3.6952 4.3131 4.3131 4.4591 4.4591 4.5449 4.5449 4.5721 4.5721 4.7160 4.7160 5.0293 5.0293 5.0943 5.0943 5.1319 5.1319 6.8999 6.8999 6.9889 6.9889 7.0369 7.0369 7.9170 7.9170 8.0107 8.0107 10.6236 10.6236 14.0174 14.0174 14.0962 14.0962 k = 0.2500 0.1450 0.9965 ( 3824 PWs) bands (ev): -25.7680 -25.7680 -8.6412 -8.6412 -7.5302 -7.5302 -7.4989 -7.4989 -0.2144 -0.2144 1.6726 1.6726 3.6750 3.6750 3.6951 3.6951 4.3136 4.3136 4.4592 4.4592 4.5454 4.5454 4.5722 4.5722 4.7156 4.7156 5.0287 5.0287 5.0941 5.0941 5.1308 5.1308 6.9023 6.9023 6.9910 6.9910 7.0338 7.0338 7.9620 7.9620 7.9659 7.9659 10.6179 10.6179 14.1106 14.1106 14.1365 14.1365 Writing output data file SrxAgGex2.save init_run : 0.36s CPU 0.52s WALL ( 1 calls) electrons : 178.79s CPU 181.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 178.78s CPU 181.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 327 calls) cegterg : 159.84s CPU 161.79s WALL ( 346 calls) Called by sum_band: Called by *egterg: h_psi : 118.28s CPU 119.80s WALL ( 6102 calls) s_psi : 3.92s CPU 3.93s WALL ( 6102 calls) g_psi : 0.22s CPU 0.19s WALL ( 5429 calls) cdiaghg : 42.03s CPU 42.55s WALL ( 5756 calls) cegterg:over : 4.39s CPU 4.47s WALL ( 5429 calls) cegterg:upda : 3.85s CPU 3.84s WALL ( 5429 calls) cegterg:last : 2.00s CPU 1.99s WALL ( 1007 calls) cdiaghg:chol : 2.42s CPU 2.41s WALL ( 5756 calls) cdiaghg:inve : 1.52s CPU 1.61s WALL ( 5756 calls) cdiaghg:para : 2.54s CPU 2.55s WALL ( 11512 calls) Called by h_psi: h_psi:vloc : 109.38s CPU 110.74s WALL ( 6102 calls) h_psi:vnl : 8.72s CPU 8.89s WALL ( 6102 calls) add_vuspsi : 4.67s CPU 4.56s WALL ( 6102 calls) General routines calbec : 4.03s CPU 4.31s WALL ( 6102 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.10s CPU 104.72s WALL ( 690864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.19s WALL ( 654 calls) Parallel routines fft_scatter : 34.24s CPU 35.32s WALL ( 690887 calls) PWSCF : 3m13.87s CPU 3m33.53s WALL This run was terminated on: 14:45:24 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=