Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:50:14 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: ./SrxFeAsx2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 49 14 1285 737 122 Max 72 50 15 1286 757 124 Sum 2563 1793 539 46261 26983 4419 bravais-lattice index = 14 lattice parameter (alat) = 12.8055 a.u. unit-cell volume = 642.4864 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 12.805548 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.832314 celldm(5)= -0.832314 celldm(6)= 0.664629 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.664629 0.747174 0.000000 ) a(3) = ( -0.832314 -0.373587 0.409494 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.889524 1.221018 ) b(2) = ( 0.000000 1.338377 1.221018 ) b(3) = ( 0.000000 0.000000 2.442036 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Sr 10.00 87.62000 Sr( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0214214), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0428427), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0642641), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0856855), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.1071069), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.1285282), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1499496), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1713710), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1927924), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.2142137), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.2356351), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.2570565), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.2784778), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.2998992), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.3213206), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.3427420), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.3641633), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.3855847), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.4070061), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.4284275), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.4498488), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.4712702), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.4926916), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.5141129), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.5355343), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.5569557), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.5783771), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.5997984), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.6212198), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.6426412), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.6640625), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.6854839), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.7069053), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.7283266), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.7497480), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.7711694), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.7925908), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.8140121), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.8354335), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.8568549), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.8782763), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.8996976), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.9211190), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.9425404), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.9639617), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.9853831), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 1.0068045), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 1.0282259), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 1.0496472), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 1.0710686), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 1.0924900), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 1.1139114), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 1.1353327), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 1.1567541), wk = 0.0028571 k( 56) = ( 0.0000000 0.0000000 1.1781755), wk = 0.0028571 k( 57) = ( 0.0000000 0.0000000 1.1995968), wk = 0.0028571 k( 58) = ( 0.0000000 0.0000000 1.2210182), wk = 0.0028571 k( 59) = ( 0.0000000 0.0000000 1.2210182), wk = 0.0028571 k( 60) = ( -0.0083945 0.0187022 1.2210182), wk = 0.0028571 k( 61) = ( -0.0167891 0.0374044 1.2210182), wk = 0.0028571 k( 62) = ( -0.0251836 0.0561066 1.2210182), wk = 0.0028571 k( 63) = ( -0.0335782 0.0748088 1.2210182), wk = 0.0028571 k( 64) = ( -0.0419727 0.0935111 1.2210182), wk = 0.0028571 k( 65) = ( -0.0503673 0.1122133 1.2210182), wk = 0.0028571 k( 66) = ( -0.0503673 0.1122133 1.2210182), wk = 0.0028571 k( 67) = ( -0.0566122 0.1261263 1.2057679), wk = 0.0028571 k( 68) = ( -0.0628571 0.1400393 1.1905177), wk = 0.0028571 k( 69) = ( -0.0691020 0.1539523 1.1752674), wk = 0.0028571 k( 70) = ( -0.0753469 0.1678653 1.1600171), wk = 0.0028571 k( 71) = ( -0.0815918 0.1817783 1.1447669), wk = 0.0028571 k( 72) = ( -0.0878367 0.1956913 1.1295166), wk = 0.0028571 k( 73) = ( -0.0940815 0.2096044 1.1142663), wk = 0.0028571 k( 74) = ( -0.1003264 0.2235174 1.0990161), wk = 0.0028571 k( 75) = ( -0.1065713 0.2374304 1.0837658), wk = 0.0028571 k( 76) = ( -0.1128163 0.2513434 1.0685155), wk = 0.0028571 k( 77) = ( -0.1190612 0.2652564 1.0532652), wk = 0.0028571 k( 78) = ( -0.1253061 0.2791694 1.0380150), wk = 0.0028571 k( 79) = ( -0.1315509 0.2930825 1.0227647), wk = 0.0028571 k( 80) = ( -0.1377958 0.3069955 1.0075144), wk = 0.0028571 k( 81) = ( -0.1440407 0.3209085 0.9922641), wk = 0.0028571 k( 82) = ( -0.1502856 0.3348215 0.9770139), wk = 0.0028571 k( 83) = ( -0.1565305 0.3487345 0.9617636), wk = 0.0028571 k( 84) = ( -0.1627754 0.3626475 0.9465133), wk = 0.0028571 k( 85) = ( -0.1690203 0.3765605 0.9312631), wk = 0.0028571 k( 86) = ( -0.1752652 0.3904736 0.9160128), wk = 0.0028571 k( 87) = ( -0.1815101 0.4043866 0.9007625), wk = 0.0028571 k( 88) = ( -0.1877550 0.4182996 0.8855123), wk = 0.0028571 k( 89) = ( -0.1939999 0.4322126 0.8702620), wk = 0.0028571 k( 90) = ( -0.2002448 0.4461256 0.8550117), wk = 0.0028571 k( 91) = ( -0.2064897 0.4600387 0.8397614), wk = 0.0028571 k( 92) = ( -0.2127346 0.4739517 0.8245112), wk = 0.0028571 k( 93) = ( -0.2189795 0.4878647 0.8092609), wk = 0.0028571 k( 94) = ( -0.2252244 0.5017777 0.7940106), wk = 0.0028571 k( 95) = ( -0.2314693 0.5156907 0.7787603), wk = 0.0028571 k( 96) = ( -0.2377142 0.5296037 0.7635101), wk = 0.0028571 k( 97) = ( -0.2439591 0.5435167 0.7482598), wk = 0.0028571 k( 98) = ( -0.2502040 0.5574298 0.7330095), wk = 0.0028571 k( 99) = ( -0.2564489 0.5713428 0.7177593), wk = 0.0028571 k( 100) = ( -0.2626938 0.5852558 0.7025090), wk = 0.0028571 k( 101) = ( -0.2689387 0.5991688 0.6872587), wk = 0.0028571 k( 102) = ( -0.2751836 0.6130818 0.6720085), wk = 0.0028571 k( 103) = ( -0.2751836 0.6130818 0.6720085), wk = 0.0028571 k( 104) = ( -0.2690684 0.5994578 0.6570749), wk = 0.0028571 k( 105) = ( -0.2629533 0.5858338 0.6421414), wk = 0.0028571 k( 106) = ( -0.2568380 0.5722097 0.6272079), wk = 0.0028571 k( 107) = ( -0.2507229 0.5585857 0.6122744), wk = 0.0028571 k( 108) = ( -0.2446077 0.5449616 0.5973408), wk = 0.0028571 k( 109) = ( -0.2384925 0.5313376 0.5824073), wk = 0.0028571 k( 110) = ( -0.2323773 0.5177135 0.5674738), wk = 0.0028571 k( 111) = ( -0.2262621 0.5040895 0.5525403), wk = 0.0028571 k( 112) = ( -0.2201469 0.4904655 0.5376068), wk = 0.0028571 k( 113) = ( -0.2140317 0.4768414 0.5226732), wk = 0.0028571 k( 114) = ( -0.2079165 0.4632174 0.5077397), wk = 0.0028571 k( 115) = ( -0.2018013 0.4495933 0.4928062), wk = 0.0028571 k( 116) = ( -0.1956861 0.4359693 0.4778727), wk = 0.0028571 k( 117) = ( -0.1895709 0.4223452 0.4629391), wk = 0.0028571 k( 118) = ( -0.1834558 0.4087212 0.4480056), wk = 0.0028571 k( 119) = ( -0.1773406 0.3950972 0.4330721), wk = 0.0028571 k( 120) = ( -0.1712254 0.3814731 0.4181386), wk = 0.0028571 k( 121) = ( -0.1651102 0.3678491 0.4032051), wk = 0.0028571 k( 122) = ( -0.1589950 0.3542251 0.3882716), wk = 0.0028571 k( 123) = ( -0.1528798 0.3406010 0.3733380), wk = 0.0028571 k( 124) = ( -0.1467646 0.3269770 0.3584045), wk = 0.0028571 k( 125) = ( -0.1406494 0.3133529 0.3434710), wk = 0.0028571 k( 126) = ( -0.1345342 0.2997289 0.3285375), wk = 0.0028571 k( 127) = ( -0.1284190 0.2861049 0.3136040), wk = 0.0028571 k( 128) = ( -0.1223038 0.2724808 0.2986704), wk = 0.0028571 k( 129) = ( -0.1161886 0.2588568 0.2837369), wk = 0.0028571 k( 130) = ( -0.1100735 0.2452327 0.2688034), wk = 0.0028571 k( 131) = ( -0.1039583 0.2316087 0.2538699), wk = 0.0028571 k( 132) = ( -0.0978431 0.2179847 0.2389363), wk = 0.0028571 k( 133) = ( -0.0917279 0.2043606 0.2240028), wk = 0.0028571 k( 134) = ( -0.0856127 0.1907366 0.2090693), wk = 0.0028571 k( 135) = ( -0.0794975 0.1771125 0.1941358), wk = 0.0028571 k( 136) = ( -0.0733823 0.1634885 0.1792023), wk = 0.0028571 k( 137) = ( -0.0672671 0.1498644 0.1642687), wk = 0.0028571 k( 138) = ( -0.0611519 0.1362404 0.1493352), wk = 0.0028571 k( 139) = ( -0.0550367 0.1226164 0.1344017), wk = 0.0028571 k( 140) = ( -0.0489215 0.1089923 0.1194682), wk = 0.0028571 k( 141) = ( -0.0428063 0.0953683 0.1045346), wk = 0.0028571 k( 142) = ( -0.0366911 0.0817442 0.0896011), wk = 0.0028571 k( 143) = ( -0.0305760 0.0681202 0.0746676), wk = 0.0028571 k( 144) = ( -0.0244608 0.0544962 0.0597341), wk = 0.0028571 k( 145) = ( -0.0183456 0.0408721 0.0448006), wk = 0.0028571 k( 146) = ( -0.0122304 0.0272481 0.0298670), wk = 0.0028571 k( 147) = ( -0.0061152 0.0136240 0.0149335), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 150) = ( 0.0192308 0.0086318 -0.0000000), wk = 0.0028571 k( 151) = ( 0.0384615 0.0172636 -0.0000000), wk = 0.0028571 k( 152) = ( 0.0576923 0.0258954 -0.0000000), wk = 0.0028571 k( 153) = ( 0.0769231 0.0345272 -0.0000000), wk = 0.0028571 k( 154) = ( 0.0961538 0.0431589 -0.0000000), wk = 0.0028571 k( 155) = ( 0.1153846 0.0517907 -0.0000000), wk = 0.0028571 k( 156) = ( 0.1346154 0.0604225 -0.0000000), wk = 0.0028571 k( 157) = ( 0.1538461 0.0690543 -0.0000000), wk = 0.0028571 k( 158) = ( 0.1730769 0.0776861 -0.0000000), wk = 0.0028571 k( 159) = ( 0.1923077 0.0863179 -0.0000000), wk = 0.0028571 k( 160) = ( 0.2115385 0.0949497 -0.0000000), wk = 0.0028571 k( 161) = ( 0.2307692 0.1035815 -0.0000000), wk = 0.0028571 k( 162) = ( 0.2500000 0.1122133 -0.0000000), wk = 0.0028571 k( 163) = ( 0.2692308 0.1208450 -0.0000000), wk = 0.0028571 k( 164) = ( 0.2884615 0.1294768 -0.0000000), wk = 0.0028571 k( 165) = ( 0.3076923 0.1381086 -0.0000000), wk = 0.0028571 k( 166) = ( 0.3269231 0.1467404 -0.0000000), wk = 0.0028571 k( 167) = ( 0.3461538 0.1553722 -0.0000000), wk = 0.0028571 k( 168) = ( 0.3653846 0.1640040 -0.0000000), wk = 0.0028571 k( 169) = ( 0.3846154 0.1726358 -0.0000000), wk = 0.0028571 k( 170) = ( 0.4038462 0.1812676 -0.0000000), wk = 0.0028571 k( 171) = ( 0.4230769 0.1898994 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4423077 0.1985311 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4615385 0.2071629 -0.0000000), wk = 0.0028571 k( 174) = ( 0.4807692 0.2157947 -0.0000000), wk = 0.0028571 k( 175) = ( 0.5000000 0.2244265 -0.0000000), wk = 0.0028571 k( 176) = ( 0.5000000 0.2244265 -0.0000000), wk = 0.0028571 k( 177) = ( 0.4937551 0.2383395 0.0152503), wk = 0.0028571 k( 178) = ( 0.4875102 0.2522525 0.0305005), wk = 0.0028571 k( 179) = ( 0.4812653 0.2661656 0.0457508), wk = 0.0028571 k( 180) = ( 0.4750204 0.2800786 0.0610011), wk = 0.0028571 k( 181) = ( 0.4687755 0.2939916 0.0762514), wk = 0.0028571 k( 182) = ( 0.4625306 0.3079046 0.0915016), wk = 0.0028571 k( 183) = ( 0.4562857 0.3218176 0.1067519), wk = 0.0028571 k( 184) = ( 0.4500408 0.3357306 0.1220022), wk = 0.0028571 k( 185) = ( 0.4437959 0.3496436 0.1372524), wk = 0.0028571 k( 186) = ( 0.4375510 0.3635567 0.1525027), wk = 0.0028571 k( 187) = ( 0.4313061 0.3774697 0.1677530), wk = 0.0028571 k( 188) = ( 0.4250612 0.3913827 0.1830033), wk = 0.0028571 k( 189) = ( 0.4188163 0.4052957 0.1982535), wk = 0.0028571 k( 190) = ( 0.4125714 0.4192087 0.2135038), wk = 0.0028571 k( 191) = ( 0.4063265 0.4331218 0.2287541), wk = 0.0028571 k( 192) = ( 0.4000816 0.4470348 0.2440043), wk = 0.0028571 k( 193) = ( 0.3938367 0.4609478 0.2592546), wk = 0.0028571 k( 194) = ( 0.3875918 0.4748608 0.2745049), wk = 0.0028571 k( 195) = ( 0.3813469 0.4887738 0.2897551), wk = 0.0028571 k( 196) = ( 0.3751020 0.5026868 0.3050054), wk = 0.0028571 k( 197) = ( 0.3688571 0.5165998 0.3202557), wk = 0.0028571 k( 198) = ( 0.3626122 0.5305129 0.3355060), wk = 0.0028571 k( 199) = ( 0.3563673 0.5444259 0.3507562), wk = 0.0028571 k( 200) = ( 0.3501224 0.5583389 0.3660065), wk = 0.0028571 k( 201) = ( 0.3438775 0.5722519 0.3812568), wk = 0.0028571 k( 202) = ( 0.3376326 0.5861649 0.3965071), wk = 0.0028571 k( 203) = ( 0.3313877 0.6000779 0.4117573), wk = 0.0028571 k( 204) = ( 0.3251428 0.6139910 0.4270076), wk = 0.0028571 k( 205) = ( 0.3188979 0.6279040 0.4422579), wk = 0.0028571 k( 206) = ( 0.3126530 0.6418170 0.4575082), wk = 0.0028571 k( 207) = ( 0.3064081 0.6557300 0.4727584), wk = 0.0028571 k( 208) = ( 0.3001632 0.6696430 0.4880087), wk = 0.0028571 k( 209) = ( 0.2939183 0.6835560 0.5032589), wk = 0.0028571 k( 210) = ( 0.2876734 0.6974690 0.5185092), wk = 0.0028571 k( 211) = ( 0.2814285 0.7113821 0.5337595), wk = 0.0028571 k( 212) = ( 0.2751836 0.7252951 0.5490098), wk = 0.0028571 k( 213) = ( 0.2751836 0.7252951 0.5490098), wk = 0.0028571 k( 214) = ( 0.2555277 0.7212875 0.5534026), wk = 0.0028571 k( 215) = ( 0.2358717 0.7172799 0.5577954), wk = 0.0028571 k( 216) = ( 0.2162157 0.7132722 0.5621882), wk = 0.0028571 k( 217) = ( 0.1965597 0.7092646 0.5665810), wk = 0.0028571 k( 218) = ( 0.1769038 0.7052570 0.5709738), wk = 0.0028571 k( 219) = ( 0.1572478 0.7012494 0.5753666), wk = 0.0028571 k( 220) = ( 0.1375918 0.6972418 0.5797594), wk = 0.0028571 k( 221) = ( 0.1179358 0.6932341 0.5841522), wk = 0.0028571 k( 222) = ( 0.0982799 0.6892265 0.5885451), wk = 0.0028571 k( 223) = ( 0.0786239 0.6852189 0.5929379), wk = 0.0028571 k( 224) = ( 0.0589679 0.6812113 0.5973307), wk = 0.0028571 k( 225) = ( 0.0393119 0.6772037 0.6017235), wk = 0.0028571 k( 226) = ( 0.0196560 0.6731961 0.6061163), wk = 0.0028571 k( 227) = ( 0.0000000 0.6691885 0.6105091), wk = 0.0028571 k( 228) = ( 0.0000000 0.6691885 0.6105091), wk = 0.0028571 k( 229) = ( 0.0060976 0.6556037 0.6253996), wk = 0.0028571 k( 230) = ( 0.0121951 0.6420189 0.6402900), wk = 0.0028571 k( 231) = ( 0.0182927 0.6284342 0.6551805), wk = 0.0028571 k( 232) = ( 0.0243902 0.6148494 0.6700710), wk = 0.0028571 k( 233) = ( 0.0304878 0.6012647 0.6849614), wk = 0.0028571 k( 234) = ( 0.0365854 0.5876799 0.6998519), wk = 0.0028571 k( 235) = ( 0.0426829 0.5740951 0.7147424), wk = 0.0028571 k( 236) = ( 0.0487805 0.5605104 0.7296328), wk = 0.0028571 k( 237) = ( 0.0548780 0.5469256 0.7445233), wk = 0.0028571 k( 238) = ( 0.0609756 0.5333408 0.7594138), wk = 0.0028571 k( 239) = ( 0.0670732 0.5197561 0.7743042), wk = 0.0028571 k( 240) = ( 0.0731707 0.5061713 0.7891947), wk = 0.0028571 k( 241) = ( 0.0792683 0.4925866 0.8040852), wk = 0.0028571 k( 242) = ( 0.0853658 0.4790018 0.8189756), wk = 0.0028571 k( 243) = ( 0.0914634 0.4654170 0.8338661), wk = 0.0028571 k( 244) = ( 0.0975610 0.4518323 0.8487566), wk = 0.0028571 k( 245) = ( 0.1036585 0.4382475 0.8636470), wk = 0.0028571 k( 246) = ( 0.1097561 0.4246628 0.8785375), wk = 0.0028571 k( 247) = ( 0.1158537 0.4110780 0.8934280), wk = 0.0028571 k( 248) = ( 0.1219512 0.3974932 0.9083184), wk = 0.0028571 k( 249) = ( 0.1280488 0.3839085 0.9232089), wk = 0.0028571 k( 250) = ( 0.1341463 0.3703237 0.9380994), wk = 0.0028571 k( 251) = ( 0.1402439 0.3567390 0.9529898), wk = 0.0028571 k( 252) = ( 0.1463415 0.3431542 0.9678803), wk = 0.0028571 k( 253) = ( 0.1524390 0.3295694 0.9827707), wk = 0.0028571 k( 254) = ( 0.1585366 0.3159847 0.9976612), wk = 0.0028571 k( 255) = ( 0.1646342 0.3023999 1.0125517), wk = 0.0028571 k( 256) = ( 0.1707317 0.2888151 1.0274422), wk = 0.0028571 k( 257) = ( 0.1768293 0.2752304 1.0423326), wk = 0.0028571 k( 258) = ( 0.1829268 0.2616456 1.0572231), wk = 0.0028571 k( 259) = ( 0.1890244 0.2480609 1.0721136), wk = 0.0028571 k( 260) = ( 0.1951219 0.2344761 1.0870040), wk = 0.0028571 k( 261) = ( 0.2012195 0.2208913 1.1018945), wk = 0.0028571 k( 262) = ( 0.2073171 0.2073066 1.1167849), wk = 0.0028571 k( 263) = ( 0.2134146 0.1937218 1.1316754), wk = 0.0028571 k( 264) = ( 0.2195122 0.1801370 1.1465659), wk = 0.0028571 k( 265) = ( 0.2256098 0.1665523 1.1614564), wk = 0.0028571 k( 266) = ( 0.2317073 0.1529675 1.1763468), wk = 0.0028571 k( 267) = ( 0.2378049 0.1393828 1.1912373), wk = 0.0028571 k( 268) = ( 0.2439024 0.1257980 1.2061278), wk = 0.0028571 k( 269) = ( 0.2500000 0.1122133 1.2210182), wk = 0.0028571 k( 270) = ( 0.2500000 0.1122133 1.2210182), wk = 0.0028571 k( 271) = ( 0.2678571 0.1202285 1.2122326), wk = 0.0028571 k( 272) = ( 0.2857143 0.1282437 1.2034470), wk = 0.0028571 k( 273) = ( 0.3035714 0.1362590 1.1946614), wk = 0.0028571 k( 274) = ( 0.3214286 0.1442742 1.1858757), wk = 0.0028571 k( 275) = ( 0.3392857 0.1522894 1.1770901), wk = 0.0028571 k( 276) = ( 0.3571429 0.1603047 1.1683045), wk = 0.0028571 k( 277) = ( 0.3750000 0.1683199 1.1595189), wk = 0.0028571 k( 278) = ( 0.3928571 0.1763351 1.1507333), wk = 0.0028571 k( 279) = ( 0.4107143 0.1843503 1.1419476), wk = 0.0028571 k( 280) = ( 0.4285714 0.1923656 1.1331620), wk = 0.0028571 k( 281) = ( 0.4464286 0.2003808 1.1243764), wk = 0.0028571 k( 282) = ( 0.4642857 0.2083960 1.1155908), wk = 0.0028571 k( 283) = ( 0.4821429 0.2164113 1.1068052), wk = 0.0028571 k( 284) = ( 0.5000000 0.2244265 1.0980195), wk = 0.0028571 k( 285) = ( 0.5000000 0.2244265 1.0980195), wk = 0.0028571 k( 286) = ( 0.5000000 0.2244265 1.0764897), wk = 0.0028571 k( 287) = ( 0.5000000 0.2244265 1.0549600), wk = 0.0028571 k( 288) = ( 0.5000000 0.2244265 1.0334302), wk = 0.0028571 k( 289) = ( 0.5000000 0.2244265 1.0119004), wk = 0.0028571 k( 290) = ( 0.5000000 0.2244265 0.9903706), wk = 0.0028571 k( 291) = ( 0.5000000 0.2244265 0.9688408), wk = 0.0028571 k( 292) = ( 0.5000000 0.2244265 0.9473110), wk = 0.0028571 k( 293) = ( 0.5000000 0.2244265 0.9257812), wk = 0.0028571 k( 294) = ( 0.5000000 0.2244265 0.9042514), wk = 0.0028571 k( 295) = ( 0.5000000 0.2244265 0.8827216), wk = 0.0028571 k( 296) = ( 0.5000000 0.2244265 0.8611918), wk = 0.0028571 k( 297) = ( 0.5000000 0.2244265 0.8396620), wk = 0.0028571 k( 298) = ( 0.5000000 0.2244265 0.8181322), wk = 0.0028571 k( 299) = ( 0.5000000 0.2244265 0.7966024), wk = 0.0028571 k( 300) = ( 0.5000000 0.2244265 0.7750726), wk = 0.0028571 k( 301) = ( 0.5000000 0.2244265 0.7535428), wk = 0.0028571 k( 302) = ( 0.5000000 0.2244265 0.7320130), wk = 0.0028571 k( 303) = ( 0.5000000 0.2244265 0.7104832), wk = 0.0028571 k( 304) = ( 0.5000000 0.2244265 0.6889534), wk = 0.0028571 k( 305) = ( 0.5000000 0.2244265 0.6674236), wk = 0.0028571 k( 306) = ( 0.5000000 0.2244265 0.6458939), wk = 0.0028571 k( 307) = ( 0.5000000 0.2244265 0.6243641), wk = 0.0028571 k( 308) = ( 0.5000000 0.2244265 0.6028343), wk = 0.0028571 k( 309) = ( 0.5000000 0.2244265 0.5813045), wk = 0.0028571 k( 310) = ( 0.5000000 0.2244265 0.5597747), wk = 0.0028571 k( 311) = ( 0.5000000 0.2244265 0.5382449), wk = 0.0028571 k( 312) = ( 0.5000000 0.2244265 0.5167151), wk = 0.0028571 k( 313) = ( 0.5000000 0.2244265 0.4951853), wk = 0.0028571 k( 314) = ( 0.5000000 0.2244265 0.4736555), wk = 0.0028571 k( 315) = ( 0.5000000 0.2244265 0.4521257), wk = 0.0028571 k( 316) = ( 0.5000000 0.2244265 0.4305959), wk = 0.0028571 k( 317) = ( 0.5000000 0.2244265 0.4090661), wk = 0.0028571 k( 318) = ( 0.5000000 0.2244265 0.3875363), wk = 0.0028571 k( 319) = ( 0.5000000 0.2244265 0.3660065), wk = 0.0028571 k( 320) = ( 0.5000000 0.2244265 0.3444767), wk = 0.0028571 k( 321) = ( 0.5000000 0.2244265 0.3229469), wk = 0.0028571 k( 322) = ( 0.5000000 0.2244265 0.3014171), wk = 0.0028571 k( 323) = ( 0.5000000 0.2244265 0.2798873), wk = 0.0028571 k( 324) = ( 0.5000000 0.2244265 0.2583575), wk = 0.0028571 k( 325) = ( 0.5000000 0.2244265 0.2368277), wk = 0.0028571 k( 326) = ( 0.5000000 0.2244265 0.2152979), wk = 0.0028571 k( 327) = ( 0.5000000 0.2244265 0.1937681), wk = 0.0028571 k( 328) = ( 0.5000000 0.2244265 0.1722384), wk = 0.0028571 k( 329) = ( 0.5000000 0.2244265 0.1507086), wk = 0.0028571 k( 330) = ( 0.5000000 0.2244265 0.1291788), wk = 0.0028571 k( 331) = ( 0.5000000 0.2244265 0.1076490), wk = 0.0028571 k( 332) = ( 0.5000000 0.2244265 0.0861192), wk = 0.0028571 k( 333) = ( 0.5000000 0.2244265 0.0645894), wk = 0.0028571 k( 334) = ( 0.5000000 0.2244265 0.0430596), wk = 0.0028571 k( 335) = ( 0.5000000 0.2244265 0.0215298), wk = 0.0028571 k( 336) = ( 0.5000000 0.2244265 -0.0000000), wk = 0.0028571 k( 337) = ( 0.0000000 0.0000000 1.2210182), wk = 0.0028571 k( 338) = ( 0.0192308 0.0086318 1.2210182), wk = 0.0028571 k( 339) = ( 0.0384615 0.0172636 1.2210182), wk = 0.0028571 k( 340) = ( 0.0576923 0.0258954 1.2210182), wk = 0.0028571 k( 341) = ( 0.0769231 0.0345272 1.2210182), wk = 0.0028571 k( 342) = ( 0.0961538 0.0431589 1.2210182), wk = 0.0028571 k( 343) = ( 0.1153846 0.0517907 1.2210182), wk = 0.0028571 k( 344) = ( 0.1346154 0.0604225 1.2210182), wk = 0.0028571 k( 345) = ( 0.1538461 0.0690543 1.2210182), wk = 0.0028571 k( 346) = ( 0.1730769 0.0776861 1.2210182), wk = 0.0028571 k( 347) = ( 0.1923077 0.0863179 1.2210182), wk = 0.0028571 k( 348) = ( 0.2115385 0.0949497 1.2210182), wk = 0.0028571 k( 349) = ( 0.2307692 0.1035815 1.2210182), wk = 0.0028571 k( 350) = ( 0.2500000 0.1122133 1.2210182), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028571 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028571 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028571 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 60) = ( -0.0083945 0.0083945 0.5000000), wk = 0.0028571 k( 61) = ( -0.0167891 0.0167891 0.5000000), wk = 0.0028571 k( 62) = ( -0.0251836 0.0251836 0.5000000), wk = 0.0028571 k( 63) = ( -0.0335782 0.0335782 0.5000000), wk = 0.0028571 k( 64) = ( -0.0419727 0.0419727 0.5000000), wk = 0.0028571 k( 65) = ( -0.0503673 0.0503673 0.5000000), wk = 0.0028571 k( 66) = ( -0.0503673 0.0503673 0.5000000), wk = 0.0028571 k( 67) = ( -0.0566122 0.0566122 0.4937551), wk = 0.0028571 k( 68) = ( -0.0628571 0.0628571 0.4875102), wk = 0.0028571 k( 69) = ( -0.0691020 0.0691020 0.4812653), wk = 0.0028571 k( 70) = ( -0.0753469 0.0753469 0.4750204), wk = 0.0028571 k( 71) = ( -0.0815918 0.0815918 0.4687755), wk = 0.0028571 k( 72) = ( -0.0878367 0.0878367 0.4625306), wk = 0.0028571 k( 73) = ( -0.0940815 0.0940816 0.4562857), wk = 0.0028571 k( 74) = ( -0.1003264 0.1003264 0.4500408), wk = 0.0028571 k( 75) = ( -0.1065713 0.1065714 0.4437959), wk = 0.0028571 k( 76) = ( -0.1128163 0.1128162 0.4375510), wk = 0.0028571 k( 77) = ( -0.1190612 0.1190612 0.4313061), wk = 0.0028571 k( 78) = ( -0.1253061 0.1253061 0.4250612), wk = 0.0028571 k( 79) = ( -0.1315509 0.1315509 0.4188163), wk = 0.0028571 k( 80) = ( -0.1377958 0.1377959 0.4125714), wk = 0.0028571 k( 81) = ( -0.1440407 0.1440407 0.4063265), wk = 0.0028571 k( 82) = ( -0.1502856 0.1502857 0.4000816), wk = 0.0028571 k( 83) = ( -0.1565305 0.1565305 0.3938367), wk = 0.0028571 k( 84) = ( -0.1627754 0.1627754 0.3875918), wk = 0.0028571 k( 85) = ( -0.1690203 0.1690203 0.3813469), wk = 0.0028571 k( 86) = ( -0.1752652 0.1752652 0.3751020), wk = 0.0028571 k( 87) = ( -0.1815101 0.1815101 0.3688571), wk = 0.0028571 k( 88) = ( -0.1877550 0.1877550 0.3626122), wk = 0.0028571 k( 89) = ( -0.1939999 0.1939999 0.3563673), wk = 0.0028571 k( 90) = ( -0.2002448 0.2002448 0.3501224), wk = 0.0028571 k( 91) = ( -0.2064897 0.2064897 0.3438775), wk = 0.0028571 k( 92) = ( -0.2127346 0.2127346 0.3376326), wk = 0.0028571 k( 93) = ( -0.2189795 0.2189795 0.3313877), wk = 0.0028571 k( 94) = ( -0.2252244 0.2252244 0.3251428), wk = 0.0028571 k( 95) = ( -0.2314693 0.2314693 0.3188979), wk = 0.0028571 k( 96) = ( -0.2377142 0.2377142 0.3126530), wk = 0.0028571 k( 97) = ( -0.2439591 0.2439591 0.3064081), wk = 0.0028571 k( 98) = ( -0.2502040 0.2502040 0.3001632), wk = 0.0028571 k( 99) = ( -0.2564489 0.2564489 0.2939183), wk = 0.0028571 k( 100) = ( -0.2626938 0.2626938 0.2876734), wk = 0.0028571 k( 101) = ( -0.2689387 0.2689387 0.2814285), wk = 0.0028571 k( 102) = ( -0.2751836 0.2751836 0.2751836), wk = 0.0028571 k( 103) = ( -0.2751836 0.2751836 0.2751836), wk = 0.0028571 k( 104) = ( -0.2690684 0.2690684 0.2690684), wk = 0.0028571 k( 105) = ( -0.2629533 0.2629533 0.2629533), wk = 0.0028571 k( 106) = ( -0.2568380 0.2568381 0.2568380), wk = 0.0028571 k( 107) = ( -0.2507229 0.2507229 0.2507229), wk = 0.0028571 k( 108) = ( -0.2446077 0.2446077 0.2446077), wk = 0.0028571 k( 109) = ( -0.2384925 0.2384925 0.2384925), wk = 0.0028571 k( 110) = ( -0.2323773 0.2323773 0.2323773), wk = 0.0028571 k( 111) = ( -0.2262621 0.2262621 0.2262621), wk = 0.0028571 k( 112) = ( -0.2201469 0.2201469 0.2201469), wk = 0.0028571 k( 113) = ( -0.2140317 0.2140317 0.2140317), wk = 0.0028571 k( 114) = ( -0.2079165 0.2079165 0.2079165), wk = 0.0028571 k( 115) = ( -0.2018013 0.2018013 0.2018013), wk = 0.0028571 k( 116) = ( -0.1956861 0.1956861 0.1956861), wk = 0.0028571 k( 117) = ( -0.1895709 0.1895709 0.1895709), wk = 0.0028571 k( 118) = ( -0.1834558 0.1834558 0.1834558), wk = 0.0028571 k( 119) = ( -0.1773406 0.1773406 0.1773406), wk = 0.0028571 k( 120) = ( -0.1712254 0.1712254 0.1712254), wk = 0.0028571 k( 121) = ( -0.1651102 0.1651102 0.1651102), wk = 0.0028571 k( 122) = ( -0.1589950 0.1589950 0.1589950), wk = 0.0028571 k( 123) = ( -0.1528798 0.1528798 0.1528798), wk = 0.0028571 k( 124) = ( -0.1467646 0.1467646 0.1467646), wk = 0.0028571 k( 125) = ( -0.1406494 0.1406494 0.1406494), wk = 0.0028571 k( 126) = ( -0.1345342 0.1345342 0.1345342), wk = 0.0028571 k( 127) = ( -0.1284190 0.1284190 0.1284190), wk = 0.0028571 k( 128) = ( -0.1223038 0.1223038 0.1223038), wk = 0.0028571 k( 129) = ( -0.1161886 0.1161886 0.1161886), wk = 0.0028571 k( 130) = ( -0.1100735 0.1100735 0.1100735), wk = 0.0028571 k( 131) = ( -0.1039583 0.1039583 0.1039583), wk = 0.0028571 k( 132) = ( -0.0978431 0.0978431 0.0978431), wk = 0.0028571 k( 133) = ( -0.0917279 0.0917279 0.0917279), wk = 0.0028571 k( 134) = ( -0.0856127 0.0856127 0.0856127), wk = 0.0028571 k( 135) = ( -0.0794975 0.0794975 0.0794975), wk = 0.0028571 k( 136) = ( -0.0733823 0.0733823 0.0733823), wk = 0.0028571 k( 137) = ( -0.0672671 0.0672671 0.0672671), wk = 0.0028571 k( 138) = ( -0.0611519 0.0611519 0.0611519), wk = 0.0028571 k( 139) = ( -0.0550367 0.0550367 0.0550367), wk = 0.0028571 k( 140) = ( -0.0489215 0.0489215 0.0489215), wk = 0.0028571 k( 141) = ( -0.0428063 0.0428063 0.0428063), wk = 0.0028571 k( 142) = ( -0.0366911 0.0366912 0.0366911), wk = 0.0028571 k( 143) = ( -0.0305760 0.0305760 0.0305760), wk = 0.0028571 k( 144) = ( -0.0244608 0.0244608 0.0244608), wk = 0.0028571 k( 145) = ( -0.0183456 0.0183456 0.0183456), wk = 0.0028571 k( 146) = ( -0.0122304 0.0122304 0.0122304), wk = 0.0028571 k( 147) = ( -0.0061152 0.0061152 0.0061152), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 150) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0028571 k( 151) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0028571 k( 152) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0028571 k( 153) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0028571 k( 154) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0028571 k( 155) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0028571 k( 156) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0028571 k( 157) = ( 0.1538461 0.1538462 -0.1538461), wk = 0.0028571 k( 158) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0028571 k( 159) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0028571 k( 160) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0028571 k( 161) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0028571 k( 162) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028571 k( 163) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0028571 k( 164) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0028571 k( 165) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0028571 k( 166) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0028571 k( 167) = ( 0.3461538 0.3461539 -0.3461538), wk = 0.0028571 k( 168) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0028571 k( 169) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0028571 k( 170) = ( 0.4038462 0.4038462 -0.4038462), wk = 0.0028571 k( 171) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0028571 k( 172) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0028571 k( 173) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0028571 k( 174) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0028571 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 177) = ( 0.4937551 0.5062449 -0.4937551), wk = 0.0028571 k( 178) = ( 0.4875102 0.5124898 -0.4875102), wk = 0.0028571 k( 179) = ( 0.4812653 0.5187347 -0.4812653), wk = 0.0028571 k( 180) = ( 0.4750204 0.5249796 -0.4750204), wk = 0.0028571 k( 181) = ( 0.4687755 0.5312245 -0.4687755), wk = 0.0028571 k( 182) = ( 0.4625306 0.5374694 -0.4625306), wk = 0.0028571 k( 183) = ( 0.4562857 0.5437143 -0.4562857), wk = 0.0028571 k( 184) = ( 0.4500408 0.5499592 -0.4500408), wk = 0.0028571 k( 185) = ( 0.4437959 0.5562041 -0.4437959), wk = 0.0028571 k( 186) = ( 0.4375510 0.5624490 -0.4375510), wk = 0.0028571 k( 187) = ( 0.4313061 0.5686939 -0.4313061), wk = 0.0028571 k( 188) = ( 0.4250612 0.5749388 -0.4250612), wk = 0.0028571 k( 189) = ( 0.4188163 0.5811837 -0.4188163), wk = 0.0028571 k( 190) = ( 0.4125714 0.5874286 -0.4125714), wk = 0.0028571 k( 191) = ( 0.4063265 0.5936735 -0.4063265), wk = 0.0028571 k( 192) = ( 0.4000816 0.5999184 -0.4000816), wk = 0.0028571 k( 193) = ( 0.3938367 0.6061633 -0.3938367), wk = 0.0028571 k( 194) = ( 0.3875918 0.6124082 -0.3875918), wk = 0.0028571 k( 195) = ( 0.3813469 0.6186531 -0.3813469), wk = 0.0028571 k( 196) = ( 0.3751020 0.6248980 -0.3751020), wk = 0.0028571 k( 197) = ( 0.3688571 0.6311429 -0.3688571), wk = 0.0028571 k( 198) = ( 0.3626122 0.6373878 -0.3626122), wk = 0.0028571 k( 199) = ( 0.3563673 0.6436327 -0.3563673), wk = 0.0028571 k( 200) = ( 0.3501224 0.6498776 -0.3501224), wk = 0.0028571 k( 201) = ( 0.3438775 0.6561225 -0.3438775), wk = 0.0028571 k( 202) = ( 0.3376326 0.6623674 -0.3376326), wk = 0.0028571 k( 203) = ( 0.3313877 0.6686123 -0.3313877), wk = 0.0028571 k( 204) = ( 0.3251428 0.6748572 -0.3251428), wk = 0.0028571 k( 205) = ( 0.3188979 0.6811021 -0.3188979), wk = 0.0028571 k( 206) = ( 0.3126530 0.6873470 -0.3126530), wk = 0.0028571 k( 207) = ( 0.3064081 0.6935919 -0.3064081), wk = 0.0028571 k( 208) = ( 0.3001632 0.6998368 -0.3001632), wk = 0.0028571 k( 209) = ( 0.2939183 0.7060817 -0.2939183), wk = 0.0028571 k( 210) = ( 0.2876734 0.7123266 -0.2876734), wk = 0.0028571 k( 211) = ( 0.2814285 0.7185715 -0.2814285), wk = 0.0028571 k( 212) = ( 0.2751836 0.7248164 -0.2751836), wk = 0.0028571 k( 213) = ( 0.2751836 0.7248164 -0.2751836), wk = 0.0028571 k( 214) = ( 0.2555277 0.7087581 -0.2555277), wk = 0.0028571 k( 215) = ( 0.2358717 0.6926998 -0.2358717), wk = 0.0028571 k( 216) = ( 0.2162157 0.6766414 -0.2162157), wk = 0.0028571 k( 217) = ( 0.1965597 0.6605831 -0.1965597), wk = 0.0028571 k( 218) = ( 0.1769038 0.6445248 -0.1769038), wk = 0.0028571 k( 219) = ( 0.1572478 0.6284665 -0.1572478), wk = 0.0028571 k( 220) = ( 0.1375918 0.6124082 -0.1375918), wk = 0.0028571 k( 221) = ( 0.1179358 0.5963499 -0.1179358), wk = 0.0028571 k( 222) = ( 0.0982799 0.5802916 -0.0982799), wk = 0.0028571 k( 223) = ( 0.0786239 0.5642333 -0.0786239), wk = 0.0028571 k( 224) = ( 0.0589679 0.5481749 -0.0589679), wk = 0.0028571 k( 225) = ( 0.0393119 0.5321166 -0.0393120), wk = 0.0028571 k( 226) = ( 0.0196560 0.5160583 -0.0196560), wk = 0.0028571 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 229) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0028571 k( 230) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0028571 k( 231) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0028571 k( 232) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0028571 k( 233) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0028571 k( 234) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0028571 k( 235) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0028571 k( 236) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0028571 k( 237) = ( 0.0548780 0.4451219 0.0548781), wk = 0.0028571 k( 238) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0028571 k( 239) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0028571 k( 240) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0028571 k( 241) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0028571 k( 242) = ( 0.0853658 0.4146341 0.0853658), wk = 0.0028571 k( 243) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0028571 k( 244) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0028571 k( 245) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0028571 k( 246) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0028571 k( 247) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0028571 k( 248) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0028571 k( 249) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0028571 k( 250) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0028571 k( 251) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0028571 k( 252) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0028571 k( 253) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0028571 k( 254) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0028571 k( 255) = ( 0.1646342 0.3353659 0.1646342), wk = 0.0028571 k( 256) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0028571 k( 257) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0028571 k( 258) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0028571 k( 259) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0028571 k( 260) = ( 0.1951219 0.3048781 0.1951220), wk = 0.0028571 k( 261) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0028571 k( 262) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0028571 k( 263) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0028571 k( 264) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0028571 k( 265) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0028571 k( 266) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0028571 k( 267) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0028571 k( 268) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0028571 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 271) = ( 0.2678571 0.2678571 0.2285452), wk = 0.0028571 k( 272) = ( 0.2857143 0.2857143 0.2070904), wk = 0.0028571 k( 273) = ( 0.3035714 0.3035714 0.1856356), wk = 0.0028571 k( 274) = ( 0.3214286 0.3214286 0.1641808), wk = 0.0028571 k( 275) = ( 0.3392857 0.3392857 0.1427260), wk = 0.0028571 k( 276) = ( 0.3571429 0.3571429 0.1212712), wk = 0.0028571 k( 277) = ( 0.3750000 0.3750000 0.0998164), wk = 0.0028571 k( 278) = ( 0.3928571 0.3928571 0.0783616), wk = 0.0028571 k( 279) = ( 0.4107143 0.4107143 0.0569068), wk = 0.0028571 k( 280) = ( 0.4285714 0.4285714 0.0354520), wk = 0.0028571 k( 281) = ( 0.4464286 0.4464286 0.0139971), wk = 0.0028571 k( 282) = ( 0.4642857 0.4642857 -0.0074576), wk = 0.0028571 k( 283) = ( 0.4821429 0.4821429 -0.0289125), wk = 0.0028571 k( 284) = ( 0.5000000 0.5000000 -0.0503673), wk = 0.0028571 k( 285) = ( 0.5000000 0.5000000 -0.0503673), wk = 0.0028571 k( 286) = ( 0.5000000 0.5000000 -0.0591836), wk = 0.0028571 k( 287) = ( 0.5000000 0.5000000 -0.0679999), wk = 0.0028571 k( 288) = ( 0.5000000 0.5000000 -0.0768162), wk = 0.0028571 k( 289) = ( 0.5000000 0.5000000 -0.0856326), wk = 0.0028571 k( 290) = ( 0.5000000 0.5000000 -0.0944489), wk = 0.0028571 k( 291) = ( 0.5000000 0.5000000 -0.1032652), wk = 0.0028571 k( 292) = ( 0.5000000 0.5000000 -0.1120816), wk = 0.0028571 k( 293) = ( 0.5000000 0.5000000 -0.1208979), wk = 0.0028571 k( 294) = ( 0.5000000 0.5000000 -0.1297142), wk = 0.0028571 k( 295) = ( 0.5000000 0.5000000 -0.1385305), wk = 0.0028571 k( 296) = ( 0.5000000 0.5000000 -0.1473469), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 -0.1561632), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 -0.1649795), wk = 0.0028571 k( 299) = ( 0.5000000 0.5000000 -0.1737959), wk = 0.0028571 k( 300) = ( 0.5000000 0.5000000 -0.1826122), wk = 0.0028571 k( 301) = ( 0.5000000 0.5000000 -0.1914285), wk = 0.0028571 k( 302) = ( 0.5000000 0.5000000 -0.2002448), wk = 0.0028571 k( 303) = ( 0.5000000 0.5000000 -0.2090612), wk = 0.0028571 k( 304) = ( 0.5000000 0.5000000 -0.2178775), wk = 0.0028571 k( 305) = ( 0.5000000 0.5000000 -0.2266938), wk = 0.0028571 k( 306) = ( 0.5000000 0.5000000 -0.2355102), wk = 0.0028571 k( 307) = ( 0.5000000 0.5000000 -0.2443265), wk = 0.0028571 k( 308) = ( 0.5000000 0.5000000 -0.2531428), wk = 0.0028571 k( 309) = ( 0.5000000 0.5000000 -0.2619591), wk = 0.0028571 k( 310) = ( 0.5000000 0.5000000 -0.2707755), wk = 0.0028571 k( 311) = ( 0.5000000 0.5000000 -0.2795918), wk = 0.0028571 k( 312) = ( 0.5000000 0.5000000 -0.2884081), wk = 0.0028571 k( 313) = ( 0.5000000 0.5000000 -0.2972245), wk = 0.0028571 k( 314) = ( 0.5000000 0.5000000 -0.3060408), wk = 0.0028571 k( 315) = ( 0.5000000 0.5000000 -0.3148571), wk = 0.0028571 k( 316) = ( 0.5000000 0.5000000 -0.3236734), wk = 0.0028571 k( 317) = ( 0.5000000 0.5000000 -0.3324898), wk = 0.0028571 k( 318) = ( 0.5000000 0.5000000 -0.3413061), wk = 0.0028571 k( 319) = ( 0.5000000 0.5000000 -0.3501224), wk = 0.0028571 k( 320) = ( 0.5000000 0.5000000 -0.3589388), wk = 0.0028571 k( 321) = ( 0.5000000 0.5000000 -0.3677551), wk = 0.0028571 k( 322) = ( 0.5000000 0.5000000 -0.3765714), wk = 0.0028571 k( 323) = ( 0.5000000 0.5000000 -0.3853877), wk = 0.0028571 k( 324) = ( 0.5000000 0.5000000 -0.3942041), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.4030204), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 -0.4118367), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.4206531), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 -0.4294694), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 -0.4382857), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 -0.4471020), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 -0.4559184), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 -0.4647347), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 -0.4735510), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 -0.4823673), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 -0.4911837), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 337) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 338) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028571 k( 339) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028571 k( 340) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028571 k( 341) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028571 k( 342) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0028571 k( 343) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028571 k( 344) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028571 k( 345) = ( 0.1538461 0.1538462 0.3461538), wk = 0.0028571 k( 346) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028571 k( 347) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028571 k( 348) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028571 k( 349) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028571 k( 350) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 Dense grid: 46261 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 26983 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 198, 44) NL pseudopotentials 0.20 Mb ( 99, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1286) G-vector shells 0.00 Mb ( 614) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 198, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) The potential is recalculated from file : ./SrxFeAsx2.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 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 9.0 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.6 secs Computing kpt #: 12 total cpu time spent up to now is 12.7 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.0 secs Computing kpt #: 18 total cpu time spent up to now is 16.6 secs Computing kpt #: 19 total cpu time spent up to now is 17.1 secs Computing kpt #: 20 total cpu time spent up to now is 17.7 secs Computing kpt #: 21 total cpu time spent up to now is 18.2 secs Computing kpt #: 22 total cpu time spent up to now is 18.7 secs Computing kpt #: 23 total cpu time spent up to now is 19.3 secs Computing kpt #: 24 total cpu time spent up to now is 19.8 secs Computing kpt #: 25 total cpu time spent up to now is 20.3 secs Computing kpt #: 26 total cpu time spent up to now is 20.8 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 21.9 secs Computing kpt #: 29 total cpu time spent up to now is 22.4 secs Computing kpt #: 30 total cpu time spent up to now is 22.9 secs Computing kpt #: 31 total cpu time spent up to now is 23.4 secs Computing kpt #: 32 total cpu time spent up to now is 24.0 secs Computing kpt #: 33 total cpu time spent up to now is 24.5 secs Computing kpt #: 34 total cpu time spent up to now is 25.0 secs Computing kpt #: 35 total cpu time spent up to now is 25.5 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.6 secs Computing kpt #: 38 total cpu time spent up to now is 27.1 secs Computing kpt #: 39 total cpu time spent up to now is 27.7 secs Computing kpt #: 40 total cpu time spent up to now is 28.2 secs Computing kpt #: 41 total cpu time spent up to now is 28.7 secs Computing kpt #: 42 total cpu time spent up to now is 29.2 secs Computing kpt #: 43 total cpu time spent up to now is 29.8 secs Computing kpt #: 44 total cpu time spent up to now is 30.3 secs Computing kpt #: 45 total cpu time spent up to now is 30.8 secs Computing kpt #: 46 total cpu time spent up to now is 31.3 secs Computing kpt #: 47 total cpu time spent up to now is 31.8 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 32.8 secs Computing kpt #: 50 total cpu time spent up to now is 33.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.8 secs Computing kpt #: 52 total cpu time spent up to now is 34.3 secs Computing kpt #: 53 total cpu time spent up to now is 34.8 secs Computing kpt #: 54 total cpu time spent up to now is 35.3 secs Computing kpt #: 55 total cpu time spent up to now is 35.7 secs Computing kpt #: 56 total cpu time spent up to now is 36.2 secs Computing kpt #: 57 total cpu time spent up to now is 36.7 secs Computing kpt #: 58 total cpu time spent up to now is 37.2 secs Computing kpt #: 59 total cpu time spent up to now is 37.6 secs Computing kpt #: 60 total cpu time spent up to now is 38.1 secs Computing kpt #: 61 total cpu time spent up to now is 38.6 secs Computing kpt #: 62 total cpu time spent up to now is 39.0 secs Computing kpt #: 63 total cpu time spent up to now is 39.5 secs Computing kpt #: 64 total cpu time spent up to now is 40.0 secs Computing kpt #: 65 total cpu time spent up to now is 40.5 secs Computing kpt #: 66 total cpu time spent up to now is 41.0 secs Computing kpt #: 67 total cpu time spent up to now is 41.5 secs Computing kpt #: 68 total cpu time spent up to now is 42.0 secs Computing kpt #: 69 total cpu time spent up to now is 42.5 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.5 secs Computing kpt #: 72 total cpu time spent up to now is 44.0 secs Computing kpt #: 73 total cpu time spent up to now is 44.5 secs Computing kpt #: 74 total cpu time spent up to now is 45.0 secs Computing kpt #: 75 total cpu time spent up to now is 45.5 secs Computing kpt #: 76 total cpu time spent up to now is 46.0 secs Computing kpt #: 77 total cpu time spent up to now is 46.6 secs Computing kpt #: 78 total cpu time spent up to now is 47.1 secs Computing kpt #: 79 total cpu time spent up to now is 47.6 secs Computing kpt #: 80 total cpu time spent up to now is 48.1 secs Computing kpt #: 81 total cpu time spent up to now is 48.6 secs Computing kpt #: 82 total cpu time spent up to now is 49.1 secs Computing kpt #: 83 total cpu time spent up to now is 49.7 secs Computing kpt #: 84 total cpu time spent up to now is 50.2 secs Computing kpt #: 85 total cpu time spent up to now is 50.7 secs Computing kpt #: 86 total cpu time spent up to now is 51.2 secs Computing kpt #: 87 total cpu time spent up to now is 51.8 secs Computing kpt #: 88 total cpu time spent up to now is 52.3 secs Computing kpt #: 89 total cpu time spent up to now is 52.9 secs Computing kpt #: 90 total cpu time spent up to now is 53.5 secs Computing kpt #: 91 total cpu time spent up to now is 54.0 secs Computing kpt #: 92 total cpu time spent up to now is 54.6 secs Computing kpt #: 93 total cpu time spent up to now is 55.2 secs Computing kpt #: 94 total cpu time spent up to now is 55.7 secs Computing kpt #: 95 total cpu time spent up to now is 56.4 secs Computing kpt #: 96 total cpu time spent up to now is 57.1 secs Computing kpt #: 97 total cpu time spent up to now is 57.9 secs Computing kpt #: 98 total cpu time spent up to now is 58.8 secs Computing kpt #: 99 total cpu time spent up to now is 59.7 secs Computing kpt #: 100 total cpu time spent up to now is 60.6 secs Computing kpt #: 101 total cpu time spent up to now is 61.4 secs Computing kpt #: 102 total cpu time spent up to now is 62.3 secs Computing kpt #: 103 total cpu time spent up to now is 63.2 secs Computing kpt #: 104 total cpu time spent up to now is 64.0 secs Computing kpt #: 105 total cpu time spent up to now is 64.9 secs Computing kpt #: 106 total cpu time spent up to now is 65.6 secs Computing kpt #: 107 total cpu time spent up to now is 66.2 secs Computing kpt #: 108 total cpu time spent up to now is 66.7 secs Computing kpt #: 109 total cpu time spent up to now is 67.3 secs Computing kpt #: 110 total cpu time spent up to now is 67.8 secs Computing kpt #: 111 total cpu time spent up to now is 68.3 secs Computing kpt #: 112 total cpu time spent up to now is 68.8 secs Computing kpt #: 113 total cpu time spent up to now is 69.3 secs Computing kpt #: 114 total cpu time spent up to now is 69.8 secs Computing kpt #: 115 total cpu time spent up to now is 70.4 secs Computing kpt #: 116 total cpu time spent up to now is 70.9 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 71.9 secs Computing kpt #: 119 total cpu time spent up to now is 72.4 secs Computing kpt #: 120 total cpu time spent up to now is 72.9 secs Computing kpt #: 121 total cpu time spent up to now is 73.4 secs Computing kpt #: 122 total cpu time spent up to now is 74.0 secs Computing kpt #: 123 total cpu time spent up to now is 74.5 secs Computing kpt #: 124 total cpu time spent up to now is 75.0 secs Computing kpt #: 125 total cpu time spent up to now is 75.5 secs Computing kpt #: 126 total cpu time spent up to now is 76.0 secs Computing kpt #: 127 total cpu time spent up to now is 76.7 secs Computing kpt #: 128 total cpu time spent up to now is 77.3 secs Computing kpt #: 129 total cpu time spent up to now is 78.2 secs Computing kpt #: 130 total cpu time spent up to now is 79.0 secs Computing kpt #: 131 total cpu time spent up to now is 79.9 secs Computing kpt #: 132 total cpu time spent up to now is 80.7 secs Computing kpt #: 133 total cpu time spent up to now is 81.5 secs Computing kpt #: 134 total cpu time spent up to now is 82.2 secs Computing kpt #: 135 total cpu time spent up to now is 83.0 secs Computing kpt #: 136 total cpu time spent up to now is 83.7 secs Computing kpt #: 137 total cpu time spent up to now is 84.4 secs Computing kpt #: 138 total cpu time spent up to now is 85.1 secs Computing kpt #: 139 total cpu time spent up to now is 85.8 secs Computing kpt #: 140 total cpu time spent up to now is 86.5 secs Computing kpt #: 141 total cpu time spent up to now is 87.1 secs Computing kpt #: 142 total cpu time spent up to now is 87.9 secs Computing kpt #: 143 total cpu time spent up to now is 90.5 secs Computing kpt #: 144 total cpu time spent up to now is 91.3 secs Computing kpt #: 145 total cpu time spent up to now is 92.0 secs Computing kpt #: 146 total cpu time spent up to now is 92.7 secs Computing kpt #: 147 total cpu time spent up to now is 93.4 secs Computing kpt #: 148 total cpu time spent up to now is 94.0 secs Computing kpt #: 149 total cpu time spent up to now is 94.7 secs Computing kpt #: 150 total cpu time spent up to now is 95.4 secs Computing kpt #: 151 total cpu time spent up to now is 96.0 secs Computing kpt #: 152 total cpu time spent up to now is 96.7 secs Computing kpt #: 153 total cpu time spent up to now is 97.4 secs Computing kpt #: 154 total cpu time spent up to now is 98.1 secs Computing kpt #: 155 total cpu time spent up to now is 98.8 secs Computing kpt #: 156 total cpu time spent up to now is 99.5 secs Computing kpt #: 157 total cpu time spent up to now is 100.2 secs Computing kpt #: 158 total cpu time spent up to now is 100.9 secs Computing kpt #: 159 total cpu time spent up to now is 101.4 secs Computing kpt #: 160 total cpu time spent up to now is 102.0 secs Computing kpt #: 161 total cpu time spent up to now is 102.6 secs Computing kpt #: 162 total cpu time spent up to now is 103.3 secs Computing kpt #: 163 total cpu time spent up to now is 103.9 secs Computing kpt #: 164 total cpu time spent up to now is 104.5 secs Computing kpt #: 165 total cpu time spent up to now is 105.2 secs Computing kpt #: 166 total cpu time spent up to now is 105.7 secs Computing kpt #: 167 total cpu time spent up to now is 106.2 secs Computing kpt #: 168 total cpu time spent up to now is 106.8 secs Computing kpt #: 169 total cpu time spent up to now is 107.3 secs Computing kpt #: 170 total cpu time spent up to now is 107.9 secs Computing kpt #: 171 total cpu time spent up to now is 108.4 secs Computing kpt #: 172 total cpu time spent up to now is 109.0 secs Computing kpt #: 173 total cpu time spent up to now is 109.5 secs Computing kpt #: 174 total cpu time spent up to now is 110.0 secs Computing kpt #: 175 total cpu time spent up to now is 110.6 secs Computing kpt #: 176 total cpu time spent up to now is 111.1 secs Computing kpt #: 177 total cpu time spent up to now is 111.6 secs Computing kpt #: 178 total cpu time spent up to now is 112.2 secs Computing kpt #: 179 total cpu time spent up to now is 112.7 secs Computing kpt #: 180 total cpu time spent up to now is 113.3 secs Computing kpt #: 181 total cpu time spent up to now is 113.8 secs Computing kpt #: 182 total cpu time spent up to now is 114.3 secs Computing kpt #: 183 total cpu time spent up to now is 114.9 secs Computing kpt #: 184 total cpu time spent up to now is 115.5 secs Computing kpt #: 185 total cpu time spent up to now is 116.1 secs Computing kpt #: 186 total cpu time spent up to now is 116.7 secs Computing kpt #: 187 total cpu time spent up to now is 117.4 secs Computing kpt #: 188 total cpu time spent up to now is 118.0 secs Computing kpt #: 189 total cpu time spent up to now is 118.6 secs Computing kpt #: 190 total cpu time spent up to now is 119.3 secs Computing kpt #: 191 total cpu time spent up to now is 119.9 secs Computing kpt #: 192 total cpu time spent up to now is 120.6 secs Computing kpt #: 193 total cpu time spent up to now is 121.2 secs Computing kpt #: 194 total cpu time spent up to now is 121.9 secs Computing kpt #: 195 total cpu time spent up to now is 122.5 secs Computing kpt #: 196 total cpu time spent up to now is 123.2 secs Computing kpt #: 197 total cpu time spent up to now is 123.8 secs Computing kpt #: 198 total cpu time spent up to now is 124.5 secs Computing kpt #: 199 total cpu time spent up to now is 125.1 secs Computing kpt #: 200 total cpu time spent up to now is 125.7 secs Computing kpt #: 201 total cpu time spent up to now is 126.4 secs Computing kpt #: 202 total cpu time spent up to now is 127.0 secs Computing kpt #: 203 total cpu time spent up to now is 127.7 secs Computing kpt #: 204 total cpu time spent up to now is 128.3 secs Computing kpt #: 205 total cpu time spent up to now is 128.9 secs Computing kpt #: 206 total cpu time spent up to now is 129.6 secs Computing kpt #: 207 total cpu time spent up to now is 130.1 secs Computing kpt #: 208 total cpu time spent up to now is 130.8 secs Computing kpt #: 209 total cpu time spent up to now is 131.4 secs Computing kpt #: 210 total cpu time spent up to now is 132.1 secs Computing kpt #: 211 total cpu time spent up to now is 132.9 secs Computing kpt #: 212 total cpu time spent up to now is 133.7 secs Computing kpt #: 213 total cpu time spent up to now is 134.5 secs Computing kpt #: 214 total cpu time spent up to now is 135.4 secs Computing kpt #: 215 total cpu time spent up to now is 136.3 secs Computing kpt #: 216 total cpu time spent up to now is 137.1 secs Computing kpt #: 217 total cpu time spent up to now is 137.8 secs Computing kpt #: 218 total cpu time spent up to now is 138.4 secs Computing kpt #: 219 total cpu time spent up to now is 139.0 secs Computing kpt #: 220 total cpu time spent up to now is 139.6 secs Computing kpt #: 221 total cpu time spent up to now is 140.2 secs Computing kpt #: 222 total cpu time spent up to now is 140.7 secs Computing kpt #: 223 total cpu time spent up to now is 141.3 secs Computing kpt #: 224 total cpu time spent up to now is 141.8 secs Computing kpt #: 225 total cpu time spent up to now is 142.3 secs Computing kpt #: 226 total cpu time spent up to now is 142.8 secs Computing kpt #: 227 total cpu time spent up to now is 143.3 secs Computing kpt #: 228 total cpu time spent up to now is 143.9 secs Computing kpt #: 229 total cpu time spent up to now is 144.4 secs Computing kpt #: 230 total cpu time spent up to now is 144.9 secs Computing kpt #: 231 total cpu time spent up to now is 145.4 secs Computing kpt #: 232 total cpu time spent up to now is 146.0 secs Computing kpt #: 233 total cpu time spent up to now is 146.6 secs Computing kpt #: 234 total cpu time spent up to now is 147.1 secs Computing kpt #: 235 total cpu time spent up to now is 147.7 secs Computing kpt #: 236 total cpu time spent up to now is 148.2 secs Computing kpt #: 237 total cpu time spent up to now is 148.8 secs Computing kpt #: 238 total cpu time spent up to now is 149.9 secs Computing kpt #: 239 total cpu time spent up to now is 150.5 secs Computing kpt #: 240 total cpu time spent up to now is 151.0 secs Computing kpt #: 241 total cpu time spent up to now is 151.6 secs Computing kpt #: 242 total cpu time spent up to now is 152.1 secs Computing kpt #: 243 total cpu time spent up to now is 152.7 secs Computing kpt #: 244 total cpu time spent up to now is 153.2 secs Computing kpt #: 245 total cpu time spent up to now is 153.8 secs Computing kpt #: 246 total cpu time spent up to now is 154.3 secs Computing kpt #: 247 total cpu time spent up to now is 154.8 secs Computing kpt #: 248 total cpu time spent up to now is 155.4 secs Computing kpt #: 249 total cpu time spent up to now is 155.9 secs Computing kpt #: 250 total cpu time spent up to now is 156.4 secs Computing kpt #: 251 total cpu time spent up to now is 156.9 secs Computing kpt #: 252 total cpu time spent up to now is 157.5 secs Computing kpt #: 253 total cpu time spent up to now is 158.0 secs Computing kpt #: 254 total cpu time spent up to now is 158.5 secs Computing kpt #: 255 total cpu time spent up to now is 159.0 secs Computing kpt #: 256 total cpu time spent up to now is 159.5 secs Computing kpt #: 257 total cpu time spent up to now is 160.0 secs Computing kpt #: 258 total cpu time spent up to now is 160.5 secs Computing kpt #: 259 total cpu time spent up to now is 161.0 secs Computing kpt #: 260 total cpu time spent up to now is 161.5 secs Computing kpt #: 261 total cpu time spent up to now is 162.0 secs Computing kpt #: 262 total cpu time spent up to now is 162.5 secs Computing kpt #: 263 total cpu time spent up to now is 163.0 secs Computing kpt #: 264 total cpu time spent up to now is 163.5 secs Computing kpt #: 265 total cpu time spent up to now is 164.0 secs Computing kpt #: 266 total cpu time spent up to now is 164.5 secs Computing kpt #: 267 total cpu time spent up to now is 165.0 secs Computing kpt #: 268 total cpu time spent up to now is 165.5 secs Computing kpt #: 269 total cpu time spent up to now is 166.0 secs Computing kpt #: 270 total cpu time spent up to now is 166.5 secs Computing kpt #: 271 total cpu time spent up to now is 166.9 secs Computing kpt #: 272 total cpu time spent up to now is 167.4 secs Computing kpt #: 273 total cpu time spent up to now is 167.9 secs Computing kpt #: 274 total cpu time spent up to now is 168.4 secs Computing kpt #: 275 total cpu time spent up to now is 168.9 secs Computing kpt #: 276 total cpu time spent up to now is 169.4 secs Computing kpt #: 277 total cpu time spent up to now is 169.8 secs Computing kpt #: 278 total cpu time spent up to now is 170.3 secs Computing kpt #: 279 total cpu time spent up to now is 170.8 secs Computing kpt #: 280 total cpu time spent up to now is 171.3 secs Computing kpt #: 281 total cpu time spent up to now is 171.8 secs Computing kpt #: 282 total cpu time spent up to now is 172.3 secs Computing kpt #: 283 total cpu time spent up to now is 172.8 secs Computing kpt #: 284 total cpu time spent up to now is 173.2 secs Computing kpt #: 285 total cpu time spent up to now is 173.7 secs Computing kpt #: 286 total cpu time spent up to now is 174.2 secs Computing kpt #: 287 total cpu time spent up to now is 174.7 secs Computing kpt #: 288 total cpu time spent up to now is 175.2 secs Computing kpt #: 289 total cpu time spent up to now is 175.7 secs Computing kpt #: 290 total cpu time spent up to now is 176.2 secs Computing kpt #: 291 total cpu time spent up to now is 176.7 secs Computing kpt #: 292 total cpu time spent up to now is 177.2 secs Computing kpt #: 293 total cpu time spent up to now is 177.7 secs Computing kpt #: 294 total cpu time spent up to now is 178.3 secs Computing kpt #: 295 total cpu time spent up to now is 178.8 secs Computing kpt #: 296 total cpu time spent up to now is 179.3 secs Computing kpt #: 297 total cpu time spent up to now is 179.8 secs Computing kpt #: 298 total cpu time spent up to now is 180.3 secs Computing kpt #: 299 total cpu time spent up to now is 180.8 secs Computing kpt #: 300 total cpu time spent up to now is 181.3 secs Computing kpt #: 301 total cpu time spent up to now is 181.8 secs Computing kpt #: 302 total cpu time spent up to now is 182.3 secs Computing kpt #: 303 total cpu time spent up to now is 182.8 secs Computing kpt #: 304 total cpu time spent up to now is 183.4 secs Computing kpt #: 305 total cpu time spent up to now is 183.9 secs Computing kpt #: 306 total cpu time spent up to now is 184.4 secs Computing kpt #: 307 total cpu time spent up to now is 185.0 secs Computing kpt #: 308 total cpu time spent up to now is 185.5 secs Computing kpt #: 309 total cpu time spent up to now is 186.0 secs Computing kpt #: 310 total cpu time spent up to now is 186.6 secs Computing kpt #: 311 total cpu time spent up to now is 187.1 secs Computing kpt #: 312 total cpu time spent up to now is 187.7 secs Computing kpt #: 313 total cpu time spent up to now is 188.3 secs Computing kpt #: 314 total cpu time spent up to now is 189.0 secs Computing kpt #: 315 total cpu time spent up to now is 189.6 secs Computing kpt #: 316 total cpu time spent up to now is 190.6 secs Computing kpt #: 317 total cpu time spent up to now is 191.4 secs Computing kpt #: 318 total cpu time spent up to now is 192.2 secs Computing kpt #: 319 total cpu time spent up to now is 192.8 secs Computing kpt #: 320 total cpu time spent up to now is 193.5 secs Computing kpt #: 321 total cpu time spent up to now is 194.1 secs Computing kpt #: 322 total cpu time spent up to now is 194.7 secs Computing kpt #: 323 total cpu time spent up to now is 195.2 secs Computing kpt #: 324 total cpu time spent up to now is 195.7 secs Computing kpt #: 325 total cpu time spent up to now is 196.4 secs Computing kpt #: 326 total cpu time spent up to now is 196.9 secs Computing kpt #: 327 total cpu time spent up to now is 197.4 secs Computing kpt #: 328 total cpu time spent up to now is 198.0 secs Computing kpt #: 329 total cpu time spent up to now is 198.5 secs Computing kpt #: 330 total cpu time spent up to now is 199.0 secs Computing kpt #: 331 total cpu time spent up to now is 199.6 secs Computing kpt #: 332 total cpu time spent up to now is 200.1 secs Computing kpt #: 333 total cpu time spent up to now is 200.7 secs Computing kpt #: 334 total cpu time spent up to now is 201.2 secs Computing kpt #: 335 total cpu time spent up to now is 201.8 secs Computing kpt #: 336 total cpu time spent up to now is 202.3 secs Computing kpt #: 337 total cpu time spent up to now is 202.8 secs Computing kpt #: 338 total cpu time spent up to now is 203.2 secs Computing kpt #: 339 total cpu time spent up to now is 203.7 secs Computing kpt #: 340 total cpu time spent up to now is 204.2 secs Computing kpt #: 341 total cpu time spent up to now is 204.6 secs Computing kpt #: 342 total cpu time spent up to now is 205.1 secs Computing kpt #: 343 total cpu time spent up to now is 205.6 secs Computing kpt #: 344 total cpu time spent up to now is 206.1 secs Computing kpt #: 345 total cpu time spent up to now is 206.6 secs Computing kpt #: 346 total cpu time spent up to now is 207.0 secs Computing kpt #: 347 total cpu time spent up to now is 207.5 secs Computing kpt #: 348 total cpu time spent up to now is 208.0 secs Computing kpt #: 349 total cpu time spent up to now is 208.5 secs Computing kpt #: 350 total cpu time spent up to now is 209.0 secs ethr = 2.78E-08, avg # of iterations = 18.6 total cpu time spent up to now is 209.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -25.9438 -25.9438 -8.7229 -8.7229 -7.5975 -7.5975 -7.5684 -7.5684 -2.5963 -2.5963 -0.9302 -0.9302 4.2407 4.2407 6.3321 6.3321 6.5700 6.5700 6.6395 6.6395 7.3187 7.3187 7.4385 7.4385 7.6548 7.6548 8.8592 8.8592 9.1049 9.1049 9.8190 9.8190 9.8247 9.8247 9.9045 9.9045 10.4938 10.4938 10.5295 10.5295 11.9608 11.9608 12.0784 12.0784 k = 0.0000 0.0000 0.0214 ( 3331 PWs) bands (ev): -25.9437 -25.9437 -8.7230 -8.7230 -7.5975 -7.5975 -7.5687 -7.5687 -2.5951 -2.5951 -0.9302 -0.9302 4.2422 4.2422 6.3324 6.3324 6.5687 6.5687 6.6382 6.6382 7.3170 7.3170 7.4368 7.4368 7.6556 7.6556 8.8595 8.8595 9.1052 9.1052 9.8179 9.8179 9.8232 9.8232 9.9032 9.9032 10.4944 10.4944 10.5279 10.5279 11.9463 11.9463 12.0593 12.0593 k = 0.0000 0.0000 0.0428 ( 3331 PWs) bands (ev): -25.9437 -25.9437 -8.7233 -8.7233 -7.5976 -7.5976 -7.5694 -7.5694 -2.5916 -2.5916 -0.9303 -0.9303 4.2467 4.2467 6.3334 6.3334 6.5643 6.5643 6.6346 6.6346 7.3115 7.3115 7.4318 7.4318 7.6579 7.6579 8.8606 8.8606 9.1061 9.1061 9.8142 9.8142 9.8191 9.8191 9.8991 9.8991 10.4961 10.4961 10.5234 10.5234 11.8969 11.8969 12.0474 12.0474 k = 0.0000 0.0000 0.0643 ( 3333 PWs) bands (ev): -25.9435 -25.9435 -8.7238 -8.7238 -7.5977 -7.5977 -7.5707 -7.5707 -2.5858 -2.5858 -0.9304 -0.9304 4.2542 4.2542 6.3351 6.3351 6.5561 6.5561 6.6297 6.6297 7.3011 7.3011 7.4249 7.4249 7.6615 7.6615 8.8622 8.8622 9.1076 9.1076 9.8071 9.8071 9.8130 9.8130 9.8925 9.8925 10.4987 10.4987 10.5164 10.5164 11.8251 11.8251 12.0569 12.0569 k = 0.0000 0.0000 0.0857 ( 3339 PWs) bands (ev): -25.9434 -25.9434 -8.7246 -8.7246 -7.5978 -7.5978 -7.5725 -7.5725 -2.5777 -2.5777 -0.9306 -0.9306 4.2646 4.2646 6.3373 6.3373 6.5431 6.5431 6.6246 6.6246 7.2843 7.2843 7.4178 7.4178 7.6667 7.6667 8.8646 8.8646 9.1096 9.1096 9.7962 9.7962 9.8054 9.8054 9.8835 9.8835 10.4989 10.4989 10.5101 10.5101 11.7459 11.7459 12.0785 12.0785 k = 0.0000 0.0000 0.1071 ( 3343 PWs) bands (ev): -25.9432 -25.9432 -8.7255 -8.7255 -7.5979 -7.5979 -7.5747 -7.5747 -2.5673 -2.5673 -0.9309 -0.9309 4.2780 4.2780 6.3400 6.3400 6.5246 6.5246 6.6205 6.6205 7.2601 7.2601 7.4119 7.4119 7.6733 7.6733 8.8675 8.8675 9.1119 9.1119 9.7815 9.7815 9.7963 9.7963 9.8726 9.8726 10.4896 10.4896 10.5121 10.5121 11.6648 11.6648 12.1082 12.1082 k = 0.0000 0.0000 0.1285 ( 3351 PWs) bands (ev): -25.9429 -25.9429 -8.7267 -8.7267 -7.5982 -7.5982 -7.5774 -7.5774 -2.5547 -2.5547 -0.9312 -0.9312 4.2942 4.2942 6.3428 6.3428 6.5009 6.5009 6.6175 6.6175 7.2279 7.2279 7.4081 7.4081 7.6810 7.6810 8.8710 8.8710 9.1145 9.1145 9.7632 9.7632 9.7856 9.7856 9.8599 9.8599 10.4755 10.4755 10.5177 10.5177 11.5838 11.5838 12.1442 12.1442 k = 0.0000 0.0000 0.1499 ( 3351 PWs) bands (ev): -25.9426 -25.9426 -8.7280 -8.7280 -7.5984 -7.5984 -7.5805 -7.5805 -2.5399 -2.5399 -0.9315 -0.9315 4.3132 4.3132 6.3452 6.3452 6.4731 6.4731 6.6155 6.6155 7.1884 7.1884 7.4062 7.4062 7.6900 7.6900 8.8749 8.8749 9.1174 9.1174 9.7416 9.7416 9.7731 9.7731 9.8457 9.8457 10.4592 10.4592 10.5247 10.5247 11.5038 11.5038 12.1851 12.1851 k = 0.0000 0.0000 0.1714 ( 3355 PWs) bands (ev): -25.9422 -25.9422 -8.7295 -8.7295 -7.5988 -7.5988 -7.5840 -7.5840 -2.5230 -2.5230 -0.9317 -0.9317 4.3348 4.3348 6.3456 6.3456 6.4434 6.4434 6.6143 6.6143 7.1422 7.1422 7.4059 7.4059 7.7000 7.7000 8.8792 8.8792 9.1201 9.1201 9.7169 9.7169 9.7589 9.7589 9.8302 9.8302 10.4415 10.4415 10.5325 10.5325 11.4255 11.4255 12.2293 12.2293 k = 0.0000 0.0000 0.1928 ( 3359 PWs) bands (ev): -25.9418 -25.9418 -8.7313 -8.7313 -7.5994 -7.5994 -7.5877 -7.5877 -2.5040 -2.5040 -0.9320 -0.9320 4.3589 4.3589 6.3397 6.3397 6.4166 6.4166 6.6137 6.6137 7.0902 7.0902 7.4068 7.4068 7.7110 7.7110 8.8838 8.8838 9.1228 9.1228 9.6893 9.6893 9.7431 9.7431 9.8135 9.8135 10.4229 10.4229 10.5408 10.5408 11.3490 11.3490 12.2738 12.2738 k = 0.0000 0.0000 0.2142 ( 3371 PWs) bands (ev): -25.9414 -25.9414 -8.7332 -8.7332 -7.6004 -7.6004 -7.5914 -7.5914 -2.4829 -2.4829 -0.9322 -0.9322 4.3855 4.3855 6.3192 6.3192 6.4015 6.4015 6.6135 6.6135 7.0333 7.0333 7.4086 7.4086 7.7229 7.7229 8.8885 8.8885 9.1251 9.1251 9.6591 9.6591 9.7257 9.7257 9.7957 9.7957 10.4035 10.4035 10.5493 10.5493 11.2749 11.2749 12.3113 12.3113 k = 0.0000 0.0000 0.2356 ( 3375 PWs) bands (ev): -25.9409 -25.9409 -8.7352 -8.7352 -7.6024 -7.6024 -7.5944 -7.5944 -2.4600 -2.4600 -0.9323 -0.9323 4.4143 4.4143 6.2839 6.2839 6.3990 6.3990 6.6136 6.6136 6.9721 6.9721 7.4110 7.4110 7.7356 7.7356 8.8932 8.8932 9.1271 9.1271 9.6266 9.6266 9.7070 9.7070 9.7769 9.7769 10.3836 10.3836 10.5582 10.5582 11.2033 11.2033 12.3305 12.3305 k = 0.0000 0.0000 0.2571 ( 3375 PWs) bands (ev): -25.9403 -25.9403 -8.7375 -8.7375 -7.6060 -7.6060 -7.5962 -7.5962 -2.4351 -2.4351 -0.9324 -0.9324 4.4451 4.4451 6.2405 6.2405 6.4027 6.4027 6.6140 6.6140 6.9073 6.9073 7.4139 7.4139 7.7490 7.7490 8.8977 8.8977 9.1284 9.1284 9.5924 9.5924 9.6871 9.6871 9.7573 9.7573 10.3634 10.3634 10.5671 10.5671 11.1344 11.1344 12.3305 12.3305 k = 0.0000 0.0000 0.2785 ( 3379 PWs) bands (ev): -25.9398 -25.9398 -8.7399 -8.7399 -7.6108 -7.6108 -7.5972 -7.5972 -2.4085 -2.4085 -0.9323 -0.9323 4.4778 4.4778 6.1929 6.1929 6.4093 6.4093 6.6148 6.6148 6.8394 6.8394 7.4170 7.4170 7.7630 7.7630 8.9018 8.9018 9.1290 9.1290 9.5563 9.5563 9.6663 9.6663 9.7370 9.7370 10.3432 10.3432 10.5759 10.5759 11.0686 11.0686 12.3194 12.3194 k = 0.0000 0.0000 0.2999 ( 3375 PWs) bands (ev): -25.9392 -25.9392 -8.7425 -8.7425 -7.6163 -7.6163 -7.5977 -7.5977 -2.3802 -2.3802 -0.9321 -0.9321 4.5120 4.5120 6.1430 6.1430 6.4173 6.4173 6.6156 6.6156 6.7690 6.7690 7.4202 7.4202 7.7775 7.7775 8.9054 8.9054 9.1285 9.1285 9.5191 9.5191 9.6447 9.6447 9.7163 9.7163 10.3229 10.3229 10.5845 10.5845 11.0062 11.0062 12.3021 12.3021 k = 0.0000 0.0000 0.3213 ( 3379 PWs) bands (ev): -25.9385 -25.9385 -8.7452 -8.7452 -7.6222 -7.6222 -7.5980 -7.5980 -2.3503 -2.3503 -0.9318 -0.9318 4.5475 4.5475 6.0919 6.0919 6.4262 6.4262 6.6167 6.6167 6.6967 6.6967 7.4236 7.4236 7.7924 7.7924 8.9081 8.9081 9.1268 9.1268 9.4806 9.4806 9.6227 9.6227 9.6952 9.6952 10.3027 10.3027 10.5926 10.5926 10.9473 10.9473 12.2805 12.2805 k = 0.0000 0.0000 0.3427 ( 3379 PWs) bands (ev): -25.9379 -25.9379 -8.7480 -8.7480 -7.6284 -7.6284 -7.5983 -7.5983 -2.3189 -2.3189 -0.9312 -0.9312 4.5838 4.5838 6.0403 6.0403 6.4353 6.4353 6.6179 6.6179 6.6231 6.6231 7.4270 7.4270 7.8077 7.8077 8.9099 8.9099 9.1236 9.1236 9.4415 9.4415 9.6007 9.6007 9.6739 9.6739 10.2826 10.2826 10.6003 10.6003 10.8924 10.8924 12.2555 12.2555 k = 0.0000 0.0000 0.3642 ( 3387 PWs) bands (ev): -25.9371 -25.9371 -8.7510 -8.7510 -7.6348 -7.6348 -7.5984 -7.5984 -2.2861 -2.2861 -0.9304 -0.9304 4.6206 4.6206 5.9890 5.9890 6.4437 6.4437 6.5494 6.5494 6.6194 6.6194 7.4303 7.4303 7.8233 7.8233 8.9103 8.9103 9.1185 9.1185 9.4017 9.4017 9.5788 9.5788 9.6525 9.6525 10.2625 10.2625 10.6072 10.6072 10.8418 10.8418 12.2275 12.2275 k = 0.0000 0.0000 0.3856 ( 3387 PWs) bands (ev): -25.9364 -25.9364 -8.7541 -8.7541 -7.6415 -7.6415 -7.5986 -7.5986 -2.2521 -2.2521 -0.9294 -0.9294 4.6573 4.6573 5.9388 5.9388 6.4416 6.4416 6.4856 6.4856 6.6210 6.6210 7.4336 7.4336 7.8391 7.8391 8.9093 8.9093 9.1113 9.1113 9.3616 9.3616 9.5576 9.5576 9.6314 9.6314 10.2427 10.2427 10.6132 10.6132 10.7960 10.7960 12.1966 12.1966 k = 0.0000 0.0000 0.4070 ( 3391 PWs) bands (ev): -25.9357 -25.9357 -8.7573 -8.7573 -7.6483 -7.6483 -7.5987 -7.5987 -2.2169 -2.2169 -0.9281 -0.9281 4.6934 4.6934 5.8906 5.8906 6.3853 6.3853 6.4757 6.4757 6.6229 6.6229 7.4368 7.4368 7.8550 7.8550 8.9065 8.9065 9.1017 9.1017 9.3211 9.3211 9.5374 9.5374 9.6105 9.6105 10.2229 10.2229 10.6179 10.6179 10.7555 10.7555 12.1628 12.1628 k = 0.0000 0.0000 0.4284 ( 3391 PWs) bands (ev): -25.9349 -25.9349 -8.7606 -8.7606 -7.6552 -7.6552 -7.5987 -7.5987 -2.1806 -2.1806 -0.9266 -0.9266 4.7280 4.7280 5.8451 5.8451 6.3104 6.3104 6.4841 6.4841 6.6249 6.6249 7.4401 7.4401 7.8709 7.8709 8.9018 8.9018 9.0893 9.0893 9.2806 9.2806 9.5185 9.5185 9.5903 9.5903 10.2033 10.2033 10.6205 10.6205 10.7215 10.7215 12.1261 12.1261 k = 0.0000 0.0000 0.4498 ( 3391 PWs) bands (ev): -25.9341 -25.9341 -8.7639 -8.7639 -7.6622 -7.6622 -7.5987 -7.5987 -2.1435 -2.1435 -0.9247 -0.9247 4.7604 4.7604 5.8035 5.8035 6.2336 6.2336 6.4942 6.4942 6.6272 6.6272 7.4433 7.4433 7.8867 7.8867 8.8950 8.8950 9.0740 9.0740 9.2403 9.2403 9.5011 9.5011 9.5709 9.5709 10.1837 10.1837 10.6193 10.6193 10.6955 10.6955 12.0861 12.0861 k = 0.0000 0.0000 0.4713 ( 3387 PWs) bands (ev): -25.9332 -25.9332 -8.7674 -8.7674 -7.6693 -7.6693 -7.5987 -7.5987 -2.1056 -2.1056 -0.9226 -0.9226 4.7896 4.7896 5.7666 5.7666 6.1567 6.1567 6.5047 6.5047 6.6297 6.6297 7.4466 7.4466 7.9024 7.9024 8.8859 8.8859 9.0558 9.0558 9.2002 9.2002 9.4851 9.4851 9.5527 9.5527 10.1643 10.1643 10.6128 10.6128 10.6796 10.6796 12.0425 12.0425 k = 0.0000 0.0000 0.4927 ( 3387 PWs) bands (ev): -25.9324 -25.9324 -8.7709 -8.7709 -7.6764 -7.6764 -7.5986 -7.5986 -2.0670 -2.0670 -0.9201 -0.9201 4.8145 4.8145 5.7357 5.7357 6.0800 6.0800 6.5151 6.5151 6.6323 6.6323 7.4502 7.4502 7.9178 7.9178 8.8745 8.8745 9.0346 9.0346 9.1604 9.1604 9.4703 9.4703 9.5360 9.5360 10.1448 10.1448 10.6017 10.6017 10.6729 10.6729 11.9949 11.9949 k = 0.0000 0.0000 0.5141 ( 3395 PWs) bands (ev): -25.9316 -25.9316 -8.7744 -8.7744 -7.6835 -7.6835 -7.5985 -7.5985 -2.0279 -2.0279 -0.9173 -0.9173 4.8341 4.8341 5.7117 5.7117 6.0040 6.0040 6.5251 6.5251 6.6351 6.6351 7.4540 7.4540 7.9328 7.9328 8.8607 8.8607 9.0106 9.0106 9.1210 9.1210 9.4564 9.4564 9.5212 9.5212 10.1254 10.1254 10.5898 10.5898 10.6715 10.6715 11.9427 11.9427 k = 0.0000 0.0000 0.5355 ( 3395 PWs) bands (ev): -25.9307 -25.9307 -8.7779 -8.7779 -7.6906 -7.6906 -7.5983 -7.5983 -1.9884 -1.9884 -0.9141 -0.9141 4.8477 4.8477 5.6952 5.6952 5.9291 5.9291 6.5346 6.5346 6.6382 6.6382 7.4582 7.4582 7.9473 7.9473 8.8446 8.8446 8.9842 8.9842 9.0823 9.0823 9.4428 9.4428 9.5089 9.5089 10.1059 10.1059 10.5800 10.5800 10.6725 10.6725 11.8855 11.8855 k = 0.0000 0.0000 0.5570 ( 3403 PWs) bands (ev): -25.9298 -25.9298 -8.7815 -8.7815 -7.6976 -7.6976 -7.5981 -7.5981 -1.9487 -1.9487 -0.9106 -0.9106 4.8546 4.8546 5.6865 5.6865 5.8560 5.8560 6.5434 6.5434 6.6413 6.6413 7.4631 7.4631 7.9612 7.9612 8.8263 8.8263 8.9556 8.9556 9.0441 9.0441 9.4291 9.4291 9.4992 9.4992 10.0864 10.0864 10.5736 10.5736 10.6744 10.6744 11.8229 11.8229 k = 0.0000 0.0000 0.5784 ( 3417 PWs) bands (ev): -25.9289 -25.9289 -8.7851 -8.7851 -7.7046 -7.7046 -7.5979 -7.5979 -1.9089 -1.9089 -0.9067 -0.9067 4.8548 4.8548 5.6834 5.6834 5.7869 5.7869 6.5514 6.5514 6.6445 6.6445 7.4687 7.4687 7.9743 7.9743 8.8060 8.8060 8.9250 8.9250 9.0066 9.0066 9.4152 9.4152 9.4923 9.4923 10.0668 10.0668 10.5709 10.5709 10.6768 10.6768 11.7547 11.7547 k = 0.0000 0.0000 0.5998 ( 3413 PWs) bands (ev): -25.9281 -25.9281 -8.7887 -8.7887 -7.7115 -7.7115 -7.5976 -7.5976 -1.8691 -1.8691 -0.9025 -0.9025 4.8489 4.8489 5.6724 5.6724 5.7350 5.7350 6.5586 6.5586 6.6476 6.6476 7.4754 7.4754 7.9866 7.9866 8.7839 8.7839 8.8932 8.8932 8.9700 8.9700 9.4013 9.4013 9.4879 9.4879 10.0473 10.0473 10.5719 10.5719 10.6792 10.6792 11.6807 11.6807 k = 0.0000 0.0000 0.6212 ( 3409 PWs) bands (ev): -25.9272 -25.9272 -8.7922 -8.7922 -7.7183 -7.7183 -7.5974 -7.5974 -1.8295 -1.8295 -0.8980 -0.8980 4.8378 4.8378 5.6229 5.6229 5.7300 5.7300 6.5649 6.5649 6.6507 6.6507 7.4833 7.4833 7.9980 7.9980 8.7602 8.7602 8.8603 8.8603 8.9341 8.9341 9.3874 9.3874 9.4855 9.4855 10.0276 10.0276 10.5762 10.5762 10.6816 10.6816 11.6011 11.6011 k = 0.0000 0.0000 0.6426 ( 3403 PWs) bands (ev): -25.9263 -25.9263 -8.7957 -8.7957 -7.7249 -7.7249 -7.5970 -7.5970 -1.7902 -1.7902 -0.8931 -0.8931 4.8226 4.8226 5.5582 5.5582 5.7474 5.7474 6.5702 6.5702 6.6535 6.6535 7.4925 7.4925 8.0084 8.0084 8.7351 8.7351 8.8266 8.8266 8.8994 8.8994 9.3739 9.3739 9.4848 9.4848 10.0079 10.0079 10.5834 10.5834 10.6838 10.6838 11.5160 11.5160 k = 0.0000 0.0000 0.6641 ( 3403 PWs) bands (ev): -25.9254 -25.9254 -8.7992 -8.7992 -7.7314 -7.7314 -7.5967 -7.5967 -1.7514 -1.7514 -0.8879 -0.8879 4.8046 4.8046 5.4922 5.4922 5.7722 5.7722 6.5746 6.5746 6.6559 6.6559 7.5033 7.5033 8.0175 8.0175 8.7091 8.7091 8.7925 8.7925 8.8655 8.8655 9.3607 9.3607 9.4855 9.4855 9.9880 9.9880 10.5930 10.5930 10.6859 10.6859 11.4259 11.4259 k = 0.0000 0.0000 0.6855 ( 3391 PWs) bands (ev): -25.9246 -25.9246 -8.8026 -8.8026 -7.7378 -7.7378 -7.5963 -7.5963 -1.7131 -1.7131 -0.8824 -0.8824 4.7849 4.7849 5.4272 5.4272 5.8010 5.8010 6.5780 6.5780 6.6578 6.6578 7.5160 7.5160 8.0255 8.0255 8.6823 8.6823 8.7581 8.7581 8.8326 8.8326 9.3483 9.3483 9.4872 9.4872 9.9680 9.9680 10.6044 10.6044 10.6881 10.6881 11.3314 11.3314 k = 0.0000 0.0000 0.7069 ( 3391 PWs) bands (ev): -25.9237 -25.9237 -8.8060 -8.8060 -7.7439 -7.7439 -7.5959 -7.5959 -1.6756 -1.6756 -0.8766 -0.8766 4.7647 4.7647 5.3636 5.3636 5.8321 5.8321 6.5804 6.5804 6.6592 6.6592 7.5305 7.5305 8.0321 8.0321 8.6549 8.6549 8.7238 8.7238 8.8009 8.8009 9.3365 9.3365 9.4898 9.4898 9.9479 9.9479 10.6169 10.6169 10.6902 10.6902 11.2332 11.2332 k = 0.0000 0.0000 0.7283 ( 3391 PWs) bands (ev): -25.9229 -25.9229 -8.8092 -8.8092 -7.7499 -7.7499 -7.5955 -7.5955 -1.6390 -1.6390 -0.8706 -0.8706 4.7446 4.7446 5.3019 5.3019 5.8643 5.8643 6.5819 6.5819 6.6600 6.6600 7.5471 7.5471 8.0373 8.0373 8.6273 8.6273 8.6897 8.6897 8.7703 8.7703 9.3256 9.3256 9.4930 9.4930 9.9277 9.9277 10.6297 10.6297 10.6924 10.6924 11.1319 11.1319 k = 0.0000 0.0000 0.7497 ( 3387 PWs) bands (ev): -25.9220 -25.9220 -8.8124 -8.8124 -7.7557 -7.7557 -7.5951 -7.5951 -1.6033 -1.6033 -0.8644 -0.8644 4.7254 4.7254 5.2421 5.2421 5.8967 5.8967 6.5823 6.5823 6.6604 6.6604 7.5658 7.5658 8.0411 8.0411 8.5995 8.5995 8.6561 8.6561 8.7410 8.7410 9.3156 9.3156 9.4966 9.4966 9.9074 9.9074 10.6421 10.6421 10.6948 10.6948 11.0284 11.0284 k = 0.0000 0.0000 0.7712 ( 3383 PWs) bands (ev): -25.9212 -25.9212 -8.8155 -8.8155 -7.7613 -7.7613 -7.5947 -7.5947 -1.5687 -1.5687 -0.8579 -0.8579 4.7077 4.7077 5.1845 5.1845 5.9285 5.9285 6.5815 6.5815 6.6604 6.6604 7.5867 7.5867 8.0435 8.0435 8.5719 8.5719 8.6231 8.6231 8.7130 8.7130 9.3065 9.3065 9.5007 9.5007 9.8871 9.8871 10.6532 10.6532 10.6974 10.6974 10.9236 10.9236 k = 0.0000 0.0000 0.7926 ( 3379 PWs) bands (ev): -25.9204 -25.9204 -8.8185 -8.8185 -7.7666 -7.7666 -7.5943 -7.5943 -1.5353 -1.5353 -0.8514 -0.8514 4.6918 4.6918 5.1290 5.1290 5.9591 5.9591 6.5796 6.5796 6.6601 6.6601 7.6098 7.6098 8.0443 8.0443 8.5445 8.5445 8.5908 8.5908 8.6864 8.6864 9.2985 9.2985 9.5051 9.5051 9.8667 9.8667 10.6622 10.6622 10.6995 10.6995 10.8191 10.8191 k = 0.0000 0.0000 0.8140 ( 3371 PWs) bands (ev): -25.9197 -25.9197 -8.8214 -8.8214 -7.7717 -7.7717 -7.5938 -7.5938 -1.5032 -1.5032 -0.8447 -0.8447 4.6781 4.6781 5.0758 5.0758 5.9879 5.9879 6.5765 6.5765 6.6597 6.6597 7.6350 7.6350 8.0438 8.0438 8.5177 8.5177 8.5595 8.5595 8.6612 8.6612 9.2915 9.2915 9.5097 9.5097 9.8463 9.8463 10.6665 10.6665 10.6876 10.6876 10.7313 10.7313 k = 0.0000 0.0000 0.8354 ( 3376 PWs) bands (ev): -25.9189 -25.9189 -8.8242 -8.8242 -7.7766 -7.7766 -7.5934 -7.5934 -1.4724 -1.4724 -0.8380 -0.8380 4.6667 4.6667 5.0250 5.0250 6.0145 6.0145 6.5722 6.5722 6.6593 6.6593 7.6622 7.6622 8.0418 8.0418 8.4914 8.4914 8.5291 8.5291 8.6374 8.6374 9.2854 9.2854 9.5143 9.5143 9.8259 9.8259 10.5937 10.5937 10.6758 10.6758 10.7184 10.7184 k = 0.0000 0.0000 0.8569 ( 3390 PWs) bands (ev): -25.9182 -25.9182 -8.8269 -8.8269 -7.7813 -7.7813 -7.5930 -7.5930 -1.4432 -1.4432 -0.8312 -0.8312 4.6579 4.6579 4.9765 4.9765 6.0387 6.0387 6.5668 6.5668 6.6590 6.6590 7.6914 7.6914 8.0384 8.0384 8.4658 8.4658 8.4999 8.4999 8.6153 8.6153 9.2803 9.2803 9.5191 9.5191 9.8055 9.8055 10.4895 10.4895 10.6784 10.6784 10.7210 10.7210 k = 0.0000 0.0000 0.8783 ( 3392 PWs) bands (ev): -25.9175 -25.9175 -8.8294 -8.8294 -7.7856 -7.7856 -7.5925 -7.5925 -1.4154 -1.4154 -0.8245 -0.8245 4.6516 4.6516 4.9306 4.9306 6.0601 6.0601 6.5603 6.5603 6.6589 6.6589 7.7224 7.7224 8.0337 8.0337 8.4413 8.4413 8.4719 8.4719 8.5949 8.5949 9.2763 9.2763 9.5237 9.5237 9.7853 9.7853 10.3843 10.3843 10.6803 10.6803 10.7239 10.7239 k = 0.0000 0.0000 0.8997 ( 3386 PWs) bands (ev): -25.9169 -25.9169 -8.8318 -8.8318 -7.7898 -7.7898 -7.5921 -7.5921 -1.3893 -1.3893 -0.8178 -0.8178 4.6478 4.6478 4.8873 4.8873 6.0786 6.0786 6.5531 6.5531 6.6590 6.6590 7.7552 7.7552 8.0278 8.0278 8.4178 8.4178 8.4452 8.4452 8.5763 8.5763 9.2733 9.2733 9.5284 9.5284 9.7653 9.7653 10.2800 10.2800 10.6816 10.6816 10.7258 10.7258 k = 0.0000 0.0000 0.9211 ( 3388 PWs) bands (ev): -25.9162 -25.9162 -8.8341 -8.8341 -7.7936 -7.7936 -7.5917 -7.5917 -1.3648 -1.3648 -0.8113 -0.8113 4.6465 4.6465 4.8466 4.8466 6.0941 6.0941 6.5451 6.5451 6.6591 6.6591 7.7892 7.7892 8.0207 8.0207 8.3956 8.3956 8.4200 8.4200 8.5596 8.5596 9.2713 9.2713 9.5328 9.5328 9.7455 9.7455 10.1772 10.1772 10.6825 10.6825 10.7262 10.7262 k = 0.0000 0.0000 0.9425 ( 3392 PWs) bands (ev): -25.9157 -25.9157 -8.8363 -8.8363 -7.7973 -7.7973 -7.5913 -7.5913 -1.3419 -1.3419 -0.8050 -0.8050 4.6474 4.6474 4.8085 4.8085 6.1066 6.1066 6.5368 6.5368 6.6595 6.6595 7.8244 7.8244 8.0124 8.0124 8.3748 8.3748 8.3964 8.3964 8.5450 8.5450 9.2701 9.2701 9.5372 9.5372 9.7260 9.7260 10.0764 10.0764 10.6831 10.6831 10.7254 10.7254 k = 0.0000 0.0000 0.9640 ( 3392 PWs) bands (ev): -25.9151 -25.9151 -8.8382 -8.8382 -7.8006 -7.8006 -7.5909 -7.5909 -1.3208 -1.3208 -0.7988 -0.7988 4.6504 4.6504 4.7733 4.7733 6.1161 6.1161 6.5281 6.5281 6.6599 6.6599 7.8603 7.8603 8.0033 8.0033 8.3555 8.3555 8.3745 8.3745 8.5326 8.5326 9.2699 9.2699 9.5414 9.5414 9.7069 9.7069 9.9779 9.9779 10.6835 10.6835 10.7233 10.7233 k = 0.0000 0.0000 0.9854 ( 3392 PWs) bands (ev): -25.9146 -25.9146 -8.8401 -8.8401 -7.8037 -7.8037 -7.5906 -7.5906 -1.3013 -1.3013 -0.7930 -0.7930 4.6550 4.6550 4.7411 4.7411 6.1229 6.1229 6.5194 6.5194 6.6604 6.6604 7.8963 7.8963 7.9935 7.9935 8.3375 8.3375 8.3546 8.3546 8.5227 8.5227 9.2705 9.2705 9.5453 9.5453 9.6882 9.6882 9.8822 9.8822 10.6838 10.6838 10.7203 10.7203 k = 0.0000 0.0000 1.0068 ( 3394 PWs) bands (ev): -25.9141 -25.9141 -8.8418 -8.8418 -7.8065 -7.8065 -7.5902 -7.5902 -1.2836 -1.2836 -0.7875 -0.7875 4.6603 4.6603 4.7124 4.7124 6.1271 6.1271 6.5108 6.5108 6.6609 6.6609 7.9314 7.9314 7.9840 7.9840 8.3208 8.3208 8.3369 8.3369 8.5157 8.5157 9.2719 9.2719 9.5490 9.5490 9.6697 9.6697 9.7900 9.7900 10.6839 10.6839 10.7167 10.7167 k = 0.0000 0.0000 1.0282 ( 3398 PWs) bands (ev): -25.9137 -25.9137 -8.8433 -8.8433 -7.8091 -7.8091 -7.5899 -7.5899 -1.2677 -1.2677 -0.7823 -0.7823 4.6628 4.6628 4.6905 4.6905 6.1290 6.1290 6.5025 6.5025 6.6614 6.6614 7.9585 7.9585 7.9813 7.9813 8.3053 8.3053 8.3217 8.3217 8.5117 8.5117 9.2739 9.2739 9.5524 9.5524 9.6500 9.6500 9.7032 9.7032 10.6839 10.6839 10.7126 10.7126 k = 0.0000 0.0000 1.0496 ( 3400 PWs) bands (ev): -25.9133 -25.9133 -8.8447 -8.8447 -7.8114 -7.8114 -7.5896 -7.5896 -1.2534 -1.2534 -0.7775 -0.7775 4.6514 4.6514 4.6863 4.6863 6.1291 6.1291 6.4946 6.4946 6.6619 6.6619 7.9561 7.9561 8.0065 8.0065 8.2907 8.2907 8.3091 8.3091 8.5113 8.5113 9.2765 9.2765 9.5556 9.5556 9.6060 9.6060 9.6455 9.6455 10.6840 10.6840 10.7084 10.7084 k = 0.0000 0.0000 1.0711 ( 3404 PWs) bands (ev): -25.9130 -25.9130 -8.8459 -8.8459 -7.8134 -7.8134 -7.5894 -7.5894 -1.2409 -1.2409 -0.7732 -0.7732 4.6325 4.6325 4.6927 4.6927 6.1276 6.1276 6.4874 6.4874 6.6624 6.6624 7.9464 7.9464 8.0370 8.0370 8.2774 8.2774 8.2987 8.2987 8.5146 8.5146 9.2794 9.2794 9.5293 9.5293 9.5584 9.5584 9.6260 9.6260 10.6840 10.6840 10.7043 10.7043 k = 0.0000 0.0000 1.0925 ( 3416 PWs) bands (ev): -25.9127 -25.9127 -8.8470 -8.8470 -7.8151 -7.8151 -7.5892 -7.5892 -1.2301 -1.2301 -0.7695 -0.7695 4.6146 4.6146 4.7010 4.7010 6.1251 6.1251 6.4808 6.4808 6.6628 6.6628 7.9364 7.9364 8.0652 8.0652 8.2656 8.2656 8.2903 8.2903 8.5217 8.5217 9.2825 9.2825 9.4545 9.4545 9.5609 9.5609 9.6115 9.6115 10.6839 10.6839 10.7003 10.7003 k = 0.0000 0.0000 1.1139 ( 3406 PWs) bands (ev): -25.9124 -25.9124 -8.8479 -8.8479 -7.8166 -7.8166 -7.5890 -7.5890 -1.2210 -1.2210 -0.7662 -0.7662 4.5991 4.5991 4.7093 4.7093 6.1219 6.1219 6.4750 6.4750 6.6632 6.6632 7.9271 7.9271 8.0899 8.0899 8.2555 8.2555 8.2837 8.2837 8.5325 8.5325 9.2857 9.2857 9.3856 9.3856 9.5630 9.5630 9.5991 9.5991 10.6840 10.6840 10.6968 10.6968 k = 0.0000 0.0000 1.1353 ( 3402 PWs) bands (ev): -25.9122 -25.9122 -8.8486 -8.8486 -7.8178 -7.8178 -7.5888 -7.5888 -1.2135 -1.2135 -0.7634 -0.7634 4.5862 4.5862 4.7169 4.7169 6.1186 6.1186 6.4701 6.4701 6.6636 6.6636 7.9191 7.9191 8.1102 8.1102 8.2470 8.2470 8.2786 8.2786 8.5460 8.5460 9.2881 9.2881 9.3248 9.3248 9.5647 9.5647 9.5886 9.5886 10.6841 10.6841 10.6938 10.6938 k = 0.0000 0.0000 1.1568 ( 3406 PWs) bands (ev): -25.9120 -25.9120 -8.8492 -8.8492 -7.8187 -7.8187 -7.5887 -7.5887 -1.2078 -1.2078 -0.7613 -0.7613 4.5762 4.5762 4.7234 4.7234 6.1155 6.1155 6.4663 6.4663 6.6638 6.6638 7.9125 7.9125 8.1259 8.1259 8.2402 8.2402 8.2748 8.2748 8.5608 8.5608 9.2697 9.2697 9.2938 9.2938 9.5661 9.5661 9.5801 9.5801 10.6844 10.6844 10.6912 10.6912 k = 0.0000 0.0000 1.1782 ( 3406 PWs) bands (ev): -25.9119 -25.9119 -8.8496 -8.8496 -7.8194 -7.8194 -7.5886 -7.5886 -1.2036 -1.2036 -0.7597 -0.7597 4.5690 4.5690 4.7283 4.7283 6.1130 6.1130 6.4634 6.4634 6.6640 6.6640 7.9076 7.9076 8.1370 8.1370 8.2354 8.2354 8.2722 8.2722 8.5744 8.5744 9.2308 9.2308 9.2948 9.2948 9.5670 9.5670 9.5739 9.5739 10.6847 10.6847 10.6891 10.6891 k = 0.0000 0.0000 1.1996 ( 3402 PWs) bands (ev): -25.9118 -25.9118 -8.8498 -8.8498 -7.8198 -7.8198 -7.5885 -7.5885 -1.2012 -1.2012 -0.7588 -0.7588 4.5646 4.5646 4.7313 4.7313 6.1114 6.1114 6.4617 6.4617 6.6642 6.6642 7.9046 7.9046 8.1436 8.1436 8.2325 8.2325 8.2707 8.2707 8.5842 8.5842 9.2054 9.2054 9.2960 9.2960 9.5675 9.5675 9.5703 9.5703 10.6853 10.6853 10.6875 10.6875 k = 0.0000 0.0000 1.2210 ( 3392 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2004 -1.2004 -0.7585 -0.7585 4.5632 4.5632 4.7324 4.7324 6.1108 6.1108 6.4612 6.4612 6.6642 6.6642 7.9036 7.9036 8.1458 8.1458 8.2315 8.2315 8.2703 8.2703 8.5878 8.5878 9.1967 9.1967 9.2965 9.2965 9.5674 9.5674 9.5693 9.5693 10.6859 10.6859 10.6868 10.6868 k = 0.0000 0.0000 1.2210 ( 3392 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2004 -1.2004 -0.7585 -0.7585 4.5632 4.5632 4.7324 4.7324 6.1108 6.1108 6.4612 6.4612 6.6642 6.6642 7.9036 7.9036 8.1458 8.1458 8.2315 8.2315 8.2703 8.2703 8.5878 8.5878 9.1967 9.1967 9.2965 9.2965 9.5674 9.5674 9.5693 9.5693 10.6859 10.6859 10.6868 10.6868 k =-0.0084 0.0187 1.2210 ( 3400 PWs) bands (ev): -25.9118 -25.9118 -8.8498 -8.8498 -7.8198 -7.8198 -7.5885 -7.5885 -1.2002 -1.2002 -0.7599 -0.7599 4.5651 4.5651 4.7336 4.7336 6.1105 6.1105 6.4614 6.4614 6.6629 6.6629 7.9043 7.9043 8.1411 8.1411 8.2299 8.2299 8.2710 8.2710 8.5927 8.5927 9.1968 9.1968 9.2979 9.2979 9.5670 9.5670 9.5703 9.5703 10.6863 10.6863 10.6871 10.6871 k =-0.0168 0.0374 1.2210 ( 3404 PWs) bands (ev): -25.9119 -25.9119 -8.8496 -8.8496 -7.8194 -7.8194 -7.5886 -7.5886 -1.1999 -1.1999 -0.7642 -0.7642 4.5707 4.5707 4.7373 4.7373 6.1096 6.1096 6.4620 6.4620 6.6591 6.6591 7.9061 7.9061 8.1269 8.1269 8.2263 8.2263 8.2732 8.2732 8.6066 8.6066 9.1972 9.1972 9.3025 9.3025 9.5664 9.5664 9.5728 9.5728 10.6864 10.6864 10.6900 10.6900 k =-0.0252 0.0561 1.2210 ( 3408 PWs) bands (ev): -25.9120 -25.9120 -8.8492 -8.8492 -7.8188 -7.8188 -7.5887 -7.5887 -1.1994 -1.1994 -0.7713 -0.7713 4.5799 4.5799 4.7434 4.7434 6.1079 6.1079 6.4630 6.4630 6.6530 6.6530 7.9092 7.9092 8.1030 8.1030 8.2228 8.2228 8.2769 8.2769 8.6275 8.6275 9.1978 9.1978 9.3100 9.3100 9.5655 9.5655 9.5768 9.5768 10.6863 10.6863 10.6950 10.6950 k =-0.0336 0.0748 1.2210 ( 3404 PWs) bands (ev): -25.9121 -25.9121 -8.8487 -8.8487 -7.8179 -7.8179 -7.5889 -7.5889 -1.1986 -1.1986 -0.7812 -0.7812 4.5928 4.5928 4.7520 4.7520 6.1054 6.1054 6.4644 6.4644 6.6450 6.6450 7.9134 7.9134 8.0707 8.0707 8.2205 8.2205 8.2821 8.2821 8.6533 8.6533 9.1987 9.1987 9.3206 9.3206 9.5644 9.5644 9.5824 9.5824 10.6861 10.6861 10.7021 10.7021 k =-0.0420 0.0935 1.2210 ( 3404 PWs) bands (ev): -25.9123 -25.9123 -8.8480 -8.8480 -7.8168 -7.8168 -7.5891 -7.5891 -1.1977 -1.1977 -0.7938 -0.7938 4.6092 4.6092 4.7629 4.7629 6.1017 6.1017 6.4662 6.4662 6.6354 6.6354 7.9186 7.9186 8.0320 8.0320 8.2193 8.2193 8.2887 8.2887 8.6822 8.6822 9.1999 9.1999 9.3341 9.3341 9.5630 9.5630 9.5896 9.5896 10.6859 10.6859 10.7110 10.7110 k =-0.0504 0.1122 1.2210 ( 3410 PWs) bands (ev): -25.9126 -25.9126 -8.8472 -8.8472 -7.8155 -7.8155 -7.5893 -7.5893 -1.1967 -1.1967 -0.8089 -0.8089 4.6289 4.6289 4.7763 4.7763 6.0968 6.0968 6.4682 6.4682 6.6249 6.6249 7.9245 7.9245 7.9888 7.9888 8.2189 8.2189 8.2966 8.2966 8.7130 8.7130 9.2014 9.2014 9.3504 9.3504 9.5614 9.5614 9.5983 9.5983 10.6856 10.6856 10.7217 10.7217 k =-0.0504 0.1122 1.2210 ( 3410 PWs) bands (ev): -25.9126 -25.9126 -8.8472 -8.8472 -7.8155 -7.8155 -7.5893 -7.5893 -1.1967 -1.1967 -0.8089 -0.8089 4.6289 4.6289 4.7763 4.7763 6.0968 6.0968 6.4682 6.4682 6.6249 6.6249 7.9245 7.9245 7.9888 7.9888 8.2189 8.2189 8.2966 8.2966 8.7130 8.7130 9.2014 9.2014 9.3504 9.3504 9.5614 9.5614 9.5983 9.5983 10.6856 10.6856 10.7217 10.7217 k =-0.0566 0.1261 1.2058 ( 3406 PWs) bands (ev): -25.9128 -25.9128 -8.8465 -8.8465 -7.8142 -7.8142 -7.5895 -7.5895 -1.1962 -1.1962 -0.8219 -0.8219 4.6463 4.6463 4.7871 4.7871 6.0925 6.0925 6.4702 6.4702 6.6168 6.6168 7.9285 7.9285 7.9554 7.9554 8.2190 8.2190 8.3038 8.3038 8.7352 8.7352 9.2063 9.2063 9.3639 9.3639 9.5607 9.5607 9.6063 9.6063 10.6855 10.6855 10.7310 10.7310 k =-0.0629 0.1400 1.1905 ( 3408 PWs) bands (ev): -25.9130 -25.9130 -8.8456 -8.8456 -7.8127 -7.8127 -7.5897 -7.5897 -1.1965 -1.1965 -0.8365 -0.8365 4.6666 4.6666 4.7977 4.7977 6.0884 6.0884 6.4730 6.4730 6.6086 6.6086 7.9114 7.9114 7.9420 7.9420 8.2194 8.2194 8.3122 8.3122 8.7552 8.7552 9.2174 9.2174 9.3774 9.3774 9.5618 9.5618 9.6161 9.6161 10.6859 10.6859 10.7415 10.7415 k =-0.0691 0.1540 1.1753 ( 3412 PWs) bands (ev): -25.9134 -25.9134 -8.8446 -8.8446 -7.8110 -7.8110 -7.5899 -7.5899 -1.1974 -1.1974 -0.8524 -0.8524 4.6895 4.6895 4.8077 4.8077 6.0848 6.0848 6.4764 6.4764 6.6008 6.6008 7.8733 7.8733 7.9493 7.9493 8.2201 8.2201 8.3218 8.3218 8.7736 8.7736 9.2329 9.2329 9.3902 9.3902 9.5650 9.5650 9.6283 9.6283 10.6868 10.6868 10.7536 10.7536 k =-0.0753 0.1679 1.1600 ( 3415 PWs) bands (ev): -25.9137 -25.9137 -8.8434 -8.8434 -7.8090 -7.8090 -7.5902 -7.5902 -1.1991 -1.1991 -0.8697 -0.8697 4.7148 4.7148 4.8169 4.8169 6.0817 6.0817 6.4806 6.4806 6.5933 6.5933 7.8326 7.8326 7.9594 7.9594 8.2211 8.2211 8.3326 8.3326 8.7911 8.7911 9.2509 9.2509 9.4017 9.4017 9.5709 9.5709 9.6434 9.6434 10.6883 10.6883 10.7671 10.7671 k =-0.0816 0.1818 1.1448 ( 3415 PWs) bands (ev): -25.9141 -25.9141 -8.8422 -8.8422 -7.8069 -7.8069 -7.5903 -7.5903 -1.2013 -1.2013 -0.8882 -0.8882 4.7422 4.7422 4.8249 4.8249 6.0796 6.0796 6.4854 6.4854 6.5865 6.5865 7.7910 7.7910 7.9713 7.9713 8.2224 8.2224 8.3445 8.3445 8.8086 8.8086 9.2694 9.2694 9.4110 9.4110 9.5799 9.5799 9.6621 9.6621 10.6905 10.6905 10.7823 10.7823 k =-0.0878 0.1957 1.1295 ( 3411 PWs) bands (ev): -25.9145 -25.9145 -8.8408 -8.8408 -7.8046 -7.8046 -7.5905 -7.5905 -1.2041 -1.2041 -0.9077 -0.9077 4.7712 4.7712 4.8317 4.8317 6.0787 6.0787 6.4910 6.4910 6.5805 6.5805 7.7489 7.7489 7.9847 7.9847 8.2241 8.2241 8.3577 8.3577 8.8265 8.8265 9.2867 9.2867 9.4178 9.4178 9.5922 9.5922 9.6850 9.6850 10.6936 10.6936 10.7991 10.7991 k =-0.0941 0.2096 1.1143 ( 3407 PWs) bands (ev): -25.9149 -25.9149 -8.8394 -8.8394 -7.8021 -7.8021 -7.5905 -7.5905 -1.2075 -1.2075 -0.9282 -0.9282 4.8012 4.8012 4.8371 4.8371 6.0793 6.0793 6.4971 6.4971 6.5755 6.5755 7.7070 7.7070 7.9994 7.9994 8.2263 8.2263 8.3721 8.3721 8.8452 8.8452 9.3016 9.3016 9.4219 9.4219 9.6075 9.6075 9.7122 9.7122 10.6975 10.6975 10.8179 10.8179 k =-0.1003 0.2235 1.0990 ( 3399 PWs) bands (ev): -25.9154 -25.9154 -8.8379 -8.8379 -7.7995 -7.7995 -7.5905 -7.5905 -1.2114 -1.2114 -0.9494 -0.9494 4.8282 4.8282 4.8449 4.8449 6.0816 6.0816 6.5038 6.5038 6.5717 6.5717 7.6656 7.6656 8.0156 8.0156 8.2291 8.2291 8.3877 8.3877 8.8650 8.8650 9.3134 9.3134 9.4233 9.4233 9.6255 9.6255 9.7440 9.7440 10.7023 10.7023 10.8387 10.8387 k =-0.1066 0.2374 1.0838 ( 3397 PWs) bands (ev): -25.9159 -25.9159 -8.8364 -8.8364 -7.7967 -7.7967 -7.5903 -7.5903 -1.2158 -1.2158 -0.9713 -0.9713 4.8359 4.8359 4.8703 4.8703 6.0857 6.0857 6.5109 6.5109 6.5692 6.5692 7.6250 7.6250 8.0331 8.0331 8.2325 8.2325 8.4045 8.4045 8.8857 8.8857 9.3218 9.3218 9.4224 9.4224 9.6452 9.6452 9.7801 9.7801 10.7081 10.7081 10.8615 10.8615 k =-0.1128 0.2513 1.0685 ( 3403 PWs) bands (ev): -25.9165 -25.9165 -8.8348 -8.8348 -7.7940 -7.7940 -7.5900 -7.5900 -1.2206 -1.2206 -0.9937 -0.9937 4.8350 4.8350 4.9026 4.9026 6.0918 6.0918 6.5183 6.5183 6.5685 6.5685 7.5856 7.5856 8.0517 8.0517 8.2365 8.2365 8.4224 8.4224 8.9075 8.9075 9.3269 9.3269 9.4194 9.4194 9.6661 9.6661 9.8203 9.8203 10.7149 10.7149 10.8865 10.8865 k =-0.1191 0.2653 1.0533 ( 3401 PWs) bands (ev): -25.9170 -25.9170 -8.8332 -8.8332 -7.7911 -7.7911 -7.5895 -7.5895 -1.2258 -1.2258 -1.0164 -1.0164 4.8308 4.8308 4.9357 4.9357 6.0999 6.0999 6.5258 6.5258 6.5697 6.5697 7.5476 7.5476 8.0717 8.0717 8.2414 8.2414 8.4416 8.4416 8.9300 8.9300 9.3290 9.3290 9.4148 9.4148 9.6874 9.6874 9.8642 9.8642 10.7226 10.7226 10.9137 10.9137 k =-0.1253 0.2792 1.0380 ( 3393 PWs) bands (ev): -25.9176 -25.9176 -8.8317 -8.8317 -7.7883 -7.7883 -7.5888 -7.5888 -1.2313 -1.2313 -1.0393 -1.0393 4.8240 4.8240 4.9688 4.9688 6.1098 6.1098 6.5330 6.5330 6.5734 6.5734 7.5112 7.5112 8.0927 8.0927 8.2470 8.2470 8.4618 8.4618 8.9532 8.9532 9.3285 9.3285 9.4087 9.4087 9.7088 9.7088 9.9116 9.9116 10.7312 10.7312 10.9433 10.9433 k =-0.1316 0.2931 1.0228 ( 3385 PWs) bands (ev): -25.9182 -25.9182 -8.8301 -8.8301 -7.7855 -7.7855 -7.5880 -7.5880 -1.2370 -1.2370 -1.0624 -1.0624 4.8147 4.8147 5.0015 5.0015 6.1213 6.1213 6.5400 6.5400 6.5797 6.5797 7.4765 7.4765 8.1149 8.1149 8.2535 8.2535 8.4831 8.4831 8.9768 8.9768 9.3256 9.3256 9.4013 9.4013 9.7298 9.7298 9.9622 9.9622 10.7406 10.7406 10.9749 10.9749 k =-0.1378 0.3070 1.0075 ( 3383 PWs) bands (ev): -25.9188 -25.9188 -8.8285 -8.8285 -7.7828 -7.7828 -7.5868 -7.5868 -1.2430 -1.2430 -1.0854 -1.0854 4.8032 4.8032 5.0332 5.0332 6.1341 6.1341 6.5471 6.5471 6.5884 6.5884 7.4437 7.4437 8.1381 8.1381 8.2608 8.2608 8.5054 8.5054 9.0004 9.0004 9.3207 9.3207 9.3926 9.3926 9.7502 9.7502 10.0158 10.0158 10.7505 10.7505 11.0088 11.0088 k =-0.1440 0.3209 0.9923 ( 3383 PWs) bands (ev): -25.9194 -25.9194 -8.8270 -8.8270 -7.7802 -7.7802 -7.5855 -7.5855 -1.2492 -1.2492 -1.1082 -1.1082 4.7896 4.7896 5.0638 5.0638 6.1477 6.1477 6.5548 6.5548 6.5993 6.5993 7.4127 7.4127 8.1622 8.1622 8.2689 8.2689 8.5286 8.5286 9.0239 9.0239 9.3140 9.3140 9.3830 9.3830 9.7699 9.7699 10.0724 10.0724 10.7606 10.7606 11.0447 11.0447 k =-0.1503 0.3348 0.9770 ( 3384 PWs) bands (ev): -25.9200 -25.9200 -8.8256 -8.8256 -7.7778 -7.7778 -7.5839 -7.5839 -1.2555 -1.2555 -1.1307 -1.1307 4.7742 4.7742 5.0930 5.0930 6.1617 6.1617 6.5636 6.5636 6.6120 6.6120 7.3837 7.3837 8.1872 8.1872 8.2780 8.2780 8.5526 8.5526 9.0467 9.0467 9.3058 9.3058 9.3725 9.3725 9.7888 9.7888 10.1321 10.1321 10.7707 10.7707 11.0826 11.0826 k =-0.1565 0.3487 0.9618 ( 3382 PWs) bands (ev): -25.9206 -25.9206 -8.8241 -8.8241 -7.7754 -7.7754 -7.5821 -7.5821 -1.2618 -1.2618 -1.1529 -1.1529 4.7573 4.7573 5.1205 5.1205 6.1756 6.1756 6.5740 6.5740 6.6261 6.6261 7.3565 7.3565 8.2130 8.2130 8.2881 8.2881 8.5771 8.5771 9.0686 9.0686 9.2962 9.2962 9.3613 9.3613 9.8070 9.8070 10.1949 10.1949 10.7803 10.7803 11.1223 11.1223 k =-0.1628 0.3626 0.9465 ( 3380 PWs) bands (ev): -25.9212 -25.9212 -8.8228 -8.8228 -7.7733 -7.7733 -7.5800 -7.5800 -1.2682 -1.2682 -1.1745 -1.1745 4.7392 4.7392 5.1462 5.1462 6.1888 6.1888 6.5863 6.5863 6.6416 6.6416 7.3311 7.3311 8.2393 8.2393 8.2993 8.2993 8.6021 8.6021 9.0891 9.0891 9.2855 9.2855 9.3497 9.3497 9.8246 9.8246 10.2609 10.2609 10.7890 10.7890 11.1637 11.1637 k =-0.1690 0.3766 0.9313 ( 3378 PWs) bands (ev): -25.9218 -25.9218 -8.8215 -8.8215 -7.7713 -7.7713 -7.5777 -7.5777 -1.2745 -1.2745 -1.1955 -1.1955 4.7202 4.7202 5.1698 5.1698 6.2010 6.2010 6.6006 6.6006 6.6581 6.6581 7.3075 7.3075 8.2659 8.2659 8.3117 8.3117 8.6272 8.6272 9.1077 9.1077 9.2737 9.2737 9.3380 9.3380 9.8419 9.8419 10.3302 10.3302 10.7965 10.7965 11.2066 11.2066 k =-0.1753 0.3905 0.9160 ( 3372 PWs) bands (ev): -25.9224 -25.9224 -8.8203 -8.8203 -7.7696 -7.7696 -7.5752 -7.5752 -1.2808 -1.2808 -1.2158 -1.2158 4.7006 4.7006 5.1915 5.1915 6.2119 6.2119 6.6169 6.6169 6.6757 6.6757 7.2854 7.2854 8.2920 8.2920 8.3261 8.3261 8.6523 8.6523 9.1238 9.1238 9.2612 9.2612 9.3268 9.3268 9.8591 9.8591 10.4030 10.4030 10.8025 10.8025 11.2508 11.2508 k =-0.1815 0.4044 0.9008 ( 3378 PWs) bands (ev): -25.9230 -25.9230 -8.8192 -8.8192 -7.7680 -7.7680 -7.5725 -7.5725 -1.2869 -1.2869 -1.2353 -1.2353 4.6807 4.6807 5.2110 5.2110 6.2213 6.2213 6.6351 6.6351 6.6941 6.6941 7.2648 7.2648 8.3158 8.3158 8.3438 8.3438 8.6771 8.6771 9.1365 9.1365 9.2478 9.2478 9.3168 9.3168 9.8765 9.8765 10.4791 10.4791 10.8065 10.8065 11.2959 11.2959 k =-0.1878 0.4183 0.8855 ( 3382 PWs) bands (ev): -25.9235 -25.9235 -8.8181 -8.8181 -7.7667 -7.7667 -7.5696 -7.5696 -1.2929 -1.2929 -1.2538 -1.2538 4.6608 4.6608 5.2284 5.2284 6.2292 6.2292 6.6548 6.6548 6.7134 6.7134 7.2454 7.2454 8.3357 8.3357 8.3666 8.3666 8.7012 8.7012 9.1450 9.1450 9.2336 9.2336 9.3089 9.3089 9.8943 9.8943 10.5584 10.5584 10.8086 10.8086 11.3419 11.3419 k =-0.1940 0.4322 0.8703 ( 3375 PWs) bands (ev): -25.9241 -25.9241 -8.8172 -8.8172 -7.7655 -7.7655 -7.5667 -7.5667 -1.2988 -1.2988 -1.2714 -1.2714 4.6412 4.6412 5.2438 5.2438 6.2355 6.2355 6.6757 6.6757 6.7333 6.7333 7.2272 7.2272 8.3525 8.3525 8.3935 8.3935 8.7244 8.7244 9.1487 9.1487 9.2185 9.2185 9.3042 9.3042 9.9129 9.9129 10.6406 10.6406 10.8089 10.8089 11.3886 11.3886 k =-0.2002 0.4461 0.8550 ( 3379 PWs) bands (ev): -25.9246 -25.9246 -8.8163 -8.8163 -7.7646 -7.7646 -7.5637 -7.5637 -1.3044 -1.3044 -1.2879 -1.2879 4.6221 4.6221 5.2572 5.2572 6.2405 6.2405 6.6973 6.6973 6.7537 6.7537 7.2099 7.2099 8.3679 8.3679 8.4221 8.4221 8.7463 8.7463 9.1474 9.1474 9.2024 9.2024 9.3029 9.3029 9.9325 9.9325 10.7243 10.7243 10.8082 10.8082 11.4356 11.4356 k =-0.2065 0.4600 0.8398 ( 3379 PWs) bands (ev): -25.9251 -25.9251 -8.8155 -8.8155 -7.7638 -7.7638 -7.5608 -7.5608 -1.3104 -1.3104 -1.3027 -1.3027 4.6037 4.6037 5.2688 5.2688 6.2443 6.2443 6.7192 6.7192 6.7746 6.7746 7.1933 7.1933 8.3829 8.3829 8.4517 8.4517 8.7668 8.7668 9.1416 9.1416 9.1853 9.1853 9.3049 9.3049 9.9533 9.9533 10.7893 10.7893 10.8266 10.8266 11.4828 11.4828 k =-0.2127 0.4740 0.8245 ( 3375 PWs) bands (ev): -25.9255 -25.9255 -8.8147 -8.8147 -7.7631 -7.7631 -7.5578 -7.5578 -1.3197 -1.3197 -1.3126 -1.3126 4.5863 4.5863 5.2787 5.2787 6.2471 6.2471 6.7409 6.7409 6.7956 6.7956 7.1774 7.1774 8.3976 8.3976 8.4815 8.4815 8.7855 8.7855 9.1325 9.1325 9.1673 9.1673 9.3092 9.3092 9.9753 9.9753 10.7914 10.7914 10.9078 10.9078 11.5302 11.5302 k =-0.2190 0.4879 0.8093 ( 3371 PWs) bands (ev): -25.9259 -25.9259 -8.8141 -8.8141 -7.7626 -7.7626 -7.5550 -7.5550 -1.3321 -1.3321 -1.3179 -1.3179 4.5699 4.5699 5.2870 5.2870 6.2490 6.2490 6.7620 6.7620 6.8167 6.8167 7.1618 7.1618 8.4120 8.4120 8.5112 8.5112 8.8025 8.8025 9.1209 9.1209 9.1486 9.1486 9.3148 9.3148 9.9984 9.9984 10.7848 10.7848 10.9966 10.9966 11.5778 11.5778 k =-0.2252 0.5018 0.7940 ( 3367 PWs) bands (ev): -25.9263 -25.9263 -8.8135 -8.8135 -7.7622 -7.7622 -7.5523 -7.5523 -1.3438 -1.3438 -1.3222 -1.3222 4.5549 4.5549 5.2939 5.2939 6.2503 6.2503 6.7821 6.7821 6.8376 6.8376 7.1466 7.1466 8.4260 8.4260 8.5406 8.5406 8.8174 8.8174 9.1076 9.1076 9.1301 9.1301 9.3210 9.3210 10.0224 10.0224 10.7764 10.7764 11.0851 11.0851 11.6256 11.6256 k =-0.2315 0.5157 0.7788 ( 3363 PWs) bands (ev): -25.9266 -25.9266 -8.8130 -8.8130 -7.7618 -7.7618 -7.5498 -7.5498 -1.3543 -1.3543 -1.3260 -1.3260 4.5413 4.5413 5.2996 5.2996 6.2510 6.2510 6.8009 6.8009 6.8582 6.8582 7.1316 7.1316 8.4393 8.4393 8.5691 8.5691 8.8305 8.8305 9.0922 9.0922 9.1129 9.1129 9.3271 9.3271 10.0468 10.0468 10.7671 10.7671 11.1710 11.1710 11.6739 11.6739 k =-0.2377 0.5296 0.7635 ( 3363 PWs) bands (ev): -25.9269 -25.9269 -8.8126 -8.8126 -7.7616 -7.7616 -7.5475 -7.5475 -1.3635 -1.3635 -1.3293 -1.3293 4.5292 4.5292 5.3041 5.3041 6.2514 6.2514 6.8179 6.8179 6.8782 6.8782 7.1168 7.1168 8.4516 8.4516 8.5964 8.5964 8.8419 8.8419 9.0747 9.0747 9.0980 9.0980 9.3328 9.3328 10.0710 10.0710 10.7574 10.7574 11.2517 11.2517 11.7230 11.7230 k =-0.2440 0.5435 0.7483 ( 3361 PWs) bands (ev): -25.9272 -25.9272 -8.8123 -8.8123 -7.7614 -7.7614 -7.5455 -7.5455 -1.3714 -1.3714 -1.3321 -1.3321 4.5188 4.5188 5.3077 5.3077 6.2516 6.2516 6.8329 6.8329 6.8974 6.8974 7.1022 7.1022 8.4627 8.4627 8.6220 8.6220 8.8517 8.8517 9.0557 9.0557 9.0857 9.0857 9.3379 9.3379 10.0940 10.0940 10.7479 10.7479 11.3243 11.3243 11.7717 11.7717 k =-0.2502 0.5574 0.7330 ( 3367 PWs) bands (ev): -25.9274 -25.9274 -8.8120 -8.8120 -7.7613 -7.7613 -7.5439 -7.5439 -1.3779 -1.3779 -1.3344 -1.3344 4.5102 4.5102 5.3105 5.3105 6.2515 6.2515 6.8456 6.8456 6.9156 6.9156 7.0880 7.0880 8.4724 8.4724 8.6450 8.6450 8.8601 8.8601 9.0366 9.0366 9.0757 9.0757 9.3421 9.3421 10.1151 10.1151 10.7391 10.7391 11.3863 11.3863 11.7924 11.7924 k =-0.2564 0.5713 0.7178 ( 3367 PWs) bands (ev): -25.9276 -25.9276 -8.8118 -8.8118 -7.7612 -7.7612 -7.5425 -7.5425 -1.3830 -1.3830 -1.3363 -1.3363 4.5034 4.5034 5.3126 5.3126 6.2515 6.2515 6.8558 6.8558 6.9323 6.9323 7.0745 7.0745 8.4802 8.4802 8.6647 8.6647 8.8675 8.8675 9.0188 9.0188 9.0677 9.0677 9.3455 9.3455 10.1330 10.1330 10.7314 10.7314 11.4354 11.4354 11.7755 11.7755 k =-0.2627 0.5853 0.7025 ( 3373 PWs) bands (ev): -25.9277 -25.9277 -8.8116 -8.8116 -7.7612 -7.7612 -7.5416 -7.5416 -1.3866 -1.3866 -1.3376 -1.3376 4.4985 4.4985 5.3139 5.3139 6.2513 6.2513 6.8632 6.8632 6.9466 6.9466 7.0625 7.0625 8.4860 8.4860 8.6799 8.6799 8.8735 8.8735 9.0039 9.0039 9.0619 9.0619 9.3480 9.3480 10.1468 10.1468 10.7254 10.7254 11.4705 11.4705 11.7615 11.7615 k =-0.2689 0.5992 0.6873 ( 3372 PWs) bands (ev): -25.9278 -25.9278 -8.8115 -8.8115 -7.7611 -7.7611 -7.5410 -7.5410 -1.3888 -1.3888 -1.3384 -1.3384 4.4956 4.4956 5.3147 5.3147 6.2513 6.2513 6.8677 6.8677 6.9568 6.9568 7.0537 7.0537 8.4896 8.4896 8.6897 8.6897 8.8779 8.8779 8.9935 8.9935 9.0584 9.0584 9.3494 9.3494 10.1555 10.1555 10.7216 10.7216 11.4915 11.4915 11.7527 11.7527 k =-0.2752 0.6131 0.6720 ( 3370 PWs) bands (ev): -25.9278 -25.9278 -8.8115 -8.8115 -7.7611 -7.7611 -7.5408 -7.5408 -1.3895 -1.3895 -1.3386 -1.3386 4.4946 4.4946 5.3150 5.3150 6.2513 6.2513 6.8692 6.8692 6.9607 6.9607 7.0503 7.0503 8.4908 8.4908 8.6931 8.6931 8.8795 8.8795 8.9897 8.9897 9.0573 9.0573 9.3499 9.3499 10.1584 10.1584 10.7203 10.7203 11.4985 11.4985 11.7497 11.7497 k =-0.2752 0.6131 0.6720 ( 3370 PWs) bands (ev): -25.9278 -25.9278 -8.8115 -8.8115 -7.7611 -7.7611 -7.5408 -7.5408 -1.3895 -1.3895 -1.3386 -1.3386 4.4946 4.4946 5.3150 5.3150 6.2513 6.2513 6.8692 6.8692 6.9607 6.9607 7.0503 7.0503 8.4908 8.4908 8.6931 8.6931 8.8795 8.8795 8.9897 8.9897 9.0573 9.0573 9.3499 9.3499 10.1584 10.1584 10.7203 10.7203 11.4985 11.4985 11.7497 11.7497 k =-0.2691 0.5995 0.6571 ( 3374 PWs) bands (ev): -25.9276 -25.9276 -8.8126 -8.8126 -7.7627 -7.7627 -7.5401 -7.5401 -1.3632 -1.3632 -1.3537 -1.3537 4.4878 4.4878 5.3119 5.3119 6.2267 6.2267 6.8542 6.8542 6.9778 6.9778 7.0632 7.0632 8.5307 8.5307 8.7060 8.7060 8.8404 8.8404 8.9766 8.9766 9.0394 9.0394 9.3360 9.3360 10.1174 10.1174 10.7258 10.7258 11.5153 11.5153 11.8251 11.8251 k =-0.2630 0.5858 0.6421 ( 3370 PWs) bands (ev): -25.9275 -25.9275 -8.8135 -8.8135 -7.7638 -7.7638 -7.5395 -7.5395 -1.3731 -1.3731 -1.3355 -1.3355 4.4856 4.4856 5.3118 5.3118 6.1986 6.1986 6.8395 6.8395 6.9948 6.9948 7.0743 7.0743 8.5706 8.5706 8.7165 8.7165 8.8043 8.8043 8.9659 8.9659 9.0247 9.0247 9.3236 9.3236 10.0785 10.0785 10.7327 10.7327 11.5327 11.5327 11.8527 11.8527 k =-0.2568 0.5722 0.6272 ( 3378 PWs) bands (ev): -25.9274 -25.9274 -8.8140 -8.8140 -7.7645 -7.7645 -7.5391 -7.5391 -1.3937 -1.3937 -1.3097 -1.3097 4.4881 4.4881 5.3148 5.3148 6.1668 6.1668 6.8251 6.8251 7.0117 7.0117 7.0831 7.0831 8.6101 8.6101 8.7156 8.7156 8.7804 8.7804 8.9575 8.9575 9.0138 9.0138 9.3127 9.3127 10.0420 10.0420 10.7410 10.7410 11.5505 11.5505 11.8049 11.8049 k =-0.2507 0.5586 0.6123 ( 3378 PWs) bands (ev): -25.9274 -25.9274 -8.8142 -8.8142 -7.7647 -7.7647 -7.5389 -7.5389 -1.4167 -1.4167 -1.2844 -1.2844 4.4953 4.4953 5.3211 5.3211 6.1317 6.1317 6.8112 6.8112 7.0283 7.0283 7.0898 7.0898 8.6479 8.6479 8.6928 8.6928 8.7801 8.7801 8.9512 8.9512 9.0072 9.0072 9.3037 9.3037 10.0080 10.0080 10.7508 10.7508 11.5689 11.5689 11.7529 11.7529 k =-0.2446 0.5450 0.5973 ( 3378 PWs) bands (ev): -25.9274 -25.9274 -8.8140 -8.8140 -7.7645 -7.7645 -7.5388 -7.5388 -1.4420 -1.4420 -1.2599 -1.2599 4.5071 4.5071 5.3307 5.3307 6.0934 6.0934 6.7977 6.7977 7.0446 7.0446 7.0941 7.0941 8.6528 8.6528 8.6893 8.6893 8.7933 8.7933 8.9469 8.9469 9.0057 9.0057 9.2965 9.2965 9.9764 9.9764 10.7622 10.7622 11.5876 11.5876 11.6996 11.6996 k =-0.2385 0.5313 0.5824 ( 3368 PWs) bands (ev): -25.9275 -25.9275 -8.8135 -8.8135 -7.7639 -7.7639 -7.5389 -7.5389 -1.4695 -1.4695 -1.2361 -1.2361 4.5232 4.5232 5.3437 5.3437 6.0522 6.0522 6.7847 6.7847 7.0604 7.0604 7.0963 7.0963 8.6151 8.6151 8.7223 8.7223 8.8120 8.8120 8.9442 8.9442 9.0095 9.0095 9.2912 9.2912 9.9474 9.9474 10.7752 10.7752 11.6062 11.6062 11.6460 11.6460 k =-0.2324 0.5177 0.5675 ( 3368 PWs) bands (ev): -25.9276 -25.9276 -8.8127 -8.8127 -7.7628 -7.7628 -7.5391 -7.5391 -1.4989 -1.4989 -1.2132 -1.2132 4.5436 4.5436 5.3600 5.3600 6.0084 6.0084 6.7721 6.7721 7.0742 7.0742 7.0976 7.0976 8.5752 8.5752 8.7518 8.7518 8.8355 8.8355 8.9432 8.9432 9.0185 9.0185 9.2877 9.2877 9.9208 9.9208 10.7900 10.7900 11.5892 11.5892 11.6279 11.6279 k =-0.2263 0.5041 0.5525 ( 3362 PWs) bands (ev): -25.9277 -25.9277 -8.8116 -8.8116 -7.7614 -7.7614 -7.5396 -7.5396 -1.5303 -1.5303 -1.1912 -1.1912 4.5678 4.5678 5.3796 5.3796 5.9626 5.9626 6.7602 6.7602 7.0816 7.0816 7.1027 7.1027 8.5350 8.5350 8.7758 8.7758 8.8640 8.8640 8.9441 8.9441 9.0321 9.0321 9.2861 9.2861 9.8968 9.8968 10.8065 10.8065 11.5352 11.5352 11.6474 11.6474 k =-0.2201 0.4905 0.5376 ( 3370 PWs) bands (ev): -25.9280 -25.9280 -8.8102 -8.8102 -7.7595 -7.7595 -7.5401 -7.5401 -1.5633 -1.5633 -1.1701 -1.1701 4.5955 4.5955 5.4026 5.4026 5.9152 5.9152 6.7486 6.7486 7.0793 7.0793 7.1147 7.1147 8.4949 8.4949 8.7946 8.7946 8.8959 8.8959 8.9478 8.9478 9.0496 9.0496 9.2864 9.2864 9.8754 9.8754 10.8247 10.8247 11.4809 11.4809 11.6679 11.6679 k =-0.2140 0.4768 0.5227 ( 3358 PWs) bands (ev): -25.9282 -25.9282 -8.8084 -8.8084 -7.7571 -7.7571 -7.5409 -7.5409 -1.5979 -1.5979 -1.1499 -1.1499 4.6264 4.6264 5.4289 5.4289 5.8670 5.8670 6.7377 6.7377 7.0720 7.0720 7.1290 7.1290 8.4551 8.4551 8.8102 8.8102 8.9260 8.9260 8.9582 8.9582 9.0702 9.0702 9.2889 9.2889 9.8567 9.8567 10.8449 10.8449 11.4270 11.4270 11.6889 11.6889 k =-0.2079 0.4632 0.5077 ( 3364 PWs) bands (ev): -25.9285 -25.9285 -8.8064 -8.8064 -7.7544 -7.7544 -7.5418 -7.5418 -1.6339 -1.6339 -1.1308 -1.1308 4.6598 4.6598 5.4583 5.4583 5.8186 5.8186 6.7272 6.7272 7.0619 7.0619 7.1437 7.1437 8.4156 8.4156 8.8237 8.8237 8.9434 8.9434 8.9841 8.9841 9.0931 9.0931 9.2933 9.2933 9.8408 9.8408 10.8668 10.8668 11.3738 11.3738 11.7106 11.7106 k =-0.2018 0.4496 0.4928 ( 3366 PWs) bands (ev): -25.9288 -25.9288 -8.8042 -8.8042 -7.7512 -7.7512 -7.5428 -7.5428 -1.6711 -1.6711 -1.1127 -1.1127 4.6952 4.6952 5.4905 5.4905 5.7711 5.7711 6.7173 6.7173 7.0496 7.0496 7.1583 7.1583 8.3767 8.3767 8.8362 8.8362 8.9529 8.9529 9.0200 9.0200 9.1179 9.1179 9.2996 9.2996 9.8278 9.8278 10.8905 10.8905 11.3216 11.3216 11.7328 11.7328 k =-0.1957 0.4360 0.4779 ( 3364 PWs) bands (ev): -25.9292 -25.9292 -8.8017 -8.8017 -7.7476 -7.7476 -7.5439 -7.5439 -1.7094 -1.7094 -1.0955 -1.0955 4.7315 4.7315 5.5251 5.5251 5.7259 5.7259 6.7078 6.7078 7.0355 7.0355 7.1726 7.1726 8.3383 8.3383 8.8480 8.8480 8.9615 8.9615 9.0583 9.0583 9.1436 9.1436 9.3081 9.3081 9.8180 9.8180 10.9162 10.9162 11.2705 11.2705 11.7558 11.7558 k =-0.1896 0.4223 0.4629 ( 3372 PWs) bands (ev): -25.9296 -25.9296 -8.7989 -8.7989 -7.7436 -7.7436 -7.5452 -7.5452 -1.7484 -1.7484 -1.0794 -1.0794 4.7678 4.7678 5.5600 5.5600 5.6861 5.6861 6.6989 6.6989 7.0198 7.0198 7.1866 7.1866 8.3005 8.3005 8.8594 8.8594 8.9703 8.9703 9.0972 9.0972 9.1701 9.1701 9.3184 9.3184 9.8113 9.8113 10.9436 10.9436 11.2206 11.2206 11.7795 11.7795 k =-0.1835 0.4087 0.4480 ( 3368 PWs) bands (ev): -25.9301 -25.9301 -8.7960 -8.7960 -7.7392 -7.7392 -7.5466 -7.5466 -1.7882 -1.7882 -1.0644 -1.0644 4.8025 4.8025 5.5864 5.5864 5.6619 5.6619 6.6905 6.6905 7.0030 7.0030 7.2002 7.2002 8.2635 8.2635 8.8704 8.8704 8.9796 8.9796 9.1361 9.1361 9.1969 9.1969 9.3306 9.3306 9.8081 9.8081 10.9728 10.9728 11.1722 11.1722 11.8041 11.8041 k =-0.1773 0.3951 0.4331 ( 3372 PWs) bands (ev): -25.9306 -25.9306 -8.7929 -8.7929 -7.7345 -7.7345 -7.5481 -7.5481 -1.8284 -1.8284 -1.0503 -1.0503 4.8338 4.8338 5.5825 5.5825 5.6767 5.6767 6.6826 6.6826 6.9851 6.9851 7.2134 7.2134 8.2273 8.2273 8.8810 8.8810 8.9890 8.9890 9.1745 9.1745 9.2239 9.2239 9.3447 9.3447 9.8084 9.8084 11.0037 11.0037 11.1254 11.1254 11.8294 11.8294 k =-0.1712 0.3815 0.4181 ( 3372 PWs) bands (ev): -25.9311 -25.9311 -8.7896 -8.7896 -7.7294 -7.7294 -7.5497 -7.5497 -1.8690 -1.8690 -1.0373 -1.0373 4.8595 4.8595 5.5643 5.5643 5.7165 5.7165 6.6752 6.6752 6.9667 6.9667 7.2262 7.2262 8.1918 8.1918 8.8910 8.8910 8.9985 8.9985 9.2124 9.2124 9.2509 9.2509 9.3605 9.3605 9.8123 9.8123 11.0356 11.0356 11.0810 11.0810 11.8557 11.8557 k =-0.1651 0.3678 0.4032 ( 3372 PWs) bands (ev): -25.9316 -25.9316 -8.7862 -8.7862 -7.7239 -7.7239 -7.5514 -7.5514 -1.9097 -1.9097 -1.0253 -1.0253 4.8772 4.8772 5.5515 5.5515 5.7638 5.7638 6.6682 6.6682 6.9480 6.9480 7.2385 7.2385 8.1572 8.1572 8.9004 8.9004 9.0080 9.0080 9.2491 9.2491 9.2780 9.2780 9.3781 9.3781 9.8199 9.8199 11.0338 11.0338 11.0735 11.0735 11.8829 11.8829 k =-0.1590 0.3542 0.3883 ( 3384 PWs) bands (ev): -25.9322 -25.9322 -8.7828 -8.7828 -7.7181 -7.7181 -7.5532 -7.5532 -1.9504 -1.9504 -1.0142 -1.0142 4.8849 4.8849 5.5497 5.5497 5.8145 5.8145 6.6617 6.6617 6.9294 6.9294 7.2502 7.2502 8.1234 8.1234 8.9089 8.9089 9.0172 9.0172 9.2843 9.2843 9.3057 9.3057 9.3972 9.3972 9.8311 9.8311 10.9930 10.9930 11.1085 11.1085 11.9111 11.9111 k =-0.1529 0.3406 0.3733 ( 3380 PWs) bands (ev): -25.9328 -25.9328 -8.7792 -8.7792 -7.7120 -7.7120 -7.5550 -7.5550 -1.9909 -1.9909 -1.0040 -1.0040 4.8816 4.8816 5.5608 5.5608 5.8674 5.8674 6.6557 6.6557 6.9114 6.9114 7.2616 7.2616 8.0905 8.0905 8.9164 8.9164 9.0263 9.0263 9.3167 9.3167 9.3348 9.3348 9.4180 9.4180 9.8459 9.8459 10.9529 10.9529 11.1460 11.1460 11.9402 11.9402 k =-0.1468 0.3270 0.3584 ( 3376 PWs) bands (ev): -25.9334 -25.9334 -8.7756 -8.7756 -7.7056 -7.7056 -7.5569 -7.5569 -2.0310 -2.0310 -0.9948 -0.9948 4.8678 4.8678 5.5844 5.5844 5.9217 5.9217 6.6502 6.6502 6.8942 6.8942 7.2723 7.2723 8.0586 8.0586 8.9226 8.9226 9.0352 9.0352 9.3459 9.3459 9.3659 9.3659 9.4404 9.4404 9.8641 9.8641 10.9145 10.9145 11.1851 11.1851 11.9702 11.9702 k =-0.1406 0.3134 0.3435 ( 3380 PWs) bands (ev): -25.9340 -25.9340 -8.7720 -8.7720 -7.6990 -7.6990 -7.5588 -7.5588 -2.0707 -2.0707 -0.9864 -0.9864 4.8451 4.8451 5.6188 5.6188 5.9768 5.9768 6.6452 6.6452 6.8785 6.8785 7.2826 7.2826 8.0277 8.0277 8.9274 8.9274 9.0438 9.0438 9.3727 9.3727 9.3977 9.3977 9.4642 9.4642 9.8854 9.8854 10.8779 10.8779 11.2256 11.2256 12.0009 12.0009 k =-0.1345 0.2997 0.3285 ( 3380 PWs) bands (ev): -25.9346 -25.9346 -8.7685 -8.7685 -7.6922 -7.6922 -7.5607 -7.5607 -2.1098 -2.1098 -0.9788 -0.9788 4.8156 4.8156 5.6619 5.6619 6.0318 6.0318 6.6406 6.6406 6.8647 6.8647 7.2923 7.2923 7.9978 7.9978 8.9308 8.9308 9.0522 9.0522 9.3982 9.3982 9.4291 9.4291 9.4896 9.4896 9.9098 9.9098 10.8430 10.8430 11.2674 11.2674 12.0323 12.0323 k =-0.1284 0.2861 0.3136 ( 3378 PWs) bands (ev): -25.9352 -25.9352 -8.7649 -8.7649 -7.6852 -7.6852 -7.5626 -7.5626 -2.1481 -2.1481 -0.9720 -0.9720 4.7813 4.7813 5.7115 5.7115 6.0860 6.0860 6.6365 6.6365 6.8537 6.8537 7.3015 7.3015 7.9689 7.9689 8.9326 8.9326 9.0606 9.0606 9.4230 9.4230 9.4597 9.4597 9.5162 9.5162 9.9370 9.9370 10.8100 10.8100 11.3103 11.3103 12.0641 12.0641 k =-0.1223 0.2725 0.2987 ( 3372 PWs) bands (ev): -25.9359 -25.9359 -8.7614 -8.7614 -7.6780 -7.6780 -7.5645 -7.5645 -2.1855 -2.1855 -0.9659 -0.9659 4.7440 4.7440 5.7659 5.7659 6.1382 6.1382 6.6328 6.6328 6.8462 6.8462 7.3102 7.3102 7.9411 7.9411 8.9330 8.9330 9.0687 9.0687 9.4473 9.4473 9.4894 9.4894 9.5438 9.5438 9.9668 9.9668 10.7789 10.7789 11.3541 11.3541 12.0959 12.0959 k =-0.1162 0.2589 0.2837 ( 3372 PWs) bands (ev): -25.9365 -25.9365 -8.7580 -8.7580 -7.6708 -7.6708 -7.5664 -7.5664 -2.2218 -2.2218 -0.9605 -0.9605 4.7050 4.7050 5.8233 5.8233 6.1873 6.1873 6.6297 6.6297 6.8432 6.8432 7.3184 7.3184 7.9143 7.9143 8.9319 8.9319 9.0766 9.0766 9.4711 9.4711 9.5181 9.5181 9.5719 9.5719 9.9989 9.9989 10.7495 10.7495 11.3987 11.3987 12.1254 12.1254 k =-0.1101 0.2452 0.2688 ( 3366 PWs) bands (ev): -25.9371 -25.9371 -8.7546 -8.7546 -7.6635 -7.6635 -7.5683 -7.5683 -2.2571 -2.2571 -0.9557 -0.9557 4.6652 4.6652 5.8826 5.8826 6.2320 6.2320 6.6269 6.6269 6.8458 6.8458 7.3261 7.3261 7.8887 7.8887 8.9297 8.9297 9.0842 9.0842 9.4947 9.4947 9.5460 9.5460 9.6002 9.6002 10.0332 10.0332 10.7219 10.7219 11.4439 11.4439 12.0986 12.0986 k =-0.1040 0.2316 0.2539 ( 3366 PWs) bands (ev): -25.9377 -25.9377 -8.7514 -8.7514 -7.6563 -7.6563 -7.5701 -7.5701 -2.2910 -2.2910 -0.9515 -0.9515 4.6254 4.6254 5.9428 5.9428 6.2710 6.2710 6.6246 6.6246 6.8550 6.8550 7.3333 7.3333 7.8643 7.8643 8.9264 8.9264 9.0912 9.0912 9.5182 9.5182 9.5729 9.5729 9.6281 9.6281 10.0694 10.0694 10.6960 10.6960 11.4894 11.4894 12.0324 12.0324 k =-0.0978 0.2180 0.2389 ( 3368 PWs) bands (ev): -25.9383 -25.9383 -8.7483 -8.7483 -7.6491 -7.6491 -7.5718 -7.5718 -2.3237 -2.3237 -0.9479 -0.9479 4.5862 4.5862 6.0029 6.0029 6.3033 6.3033 6.6226 6.6226 6.8716 6.8716 7.3401 7.3401 7.8412 7.8412 8.9222 8.9222 9.0976 9.0976 9.5416 9.5416 9.5990 9.5990 9.6554 9.6554 10.1071 10.1071 10.6719 10.6719 11.5350 11.5350 11.9691 11.9691 k =-0.0917 0.2044 0.2240 ( 3366 PWs) bands (ev): -25.9389 -25.9389 -8.7454 -8.7454 -7.6421 -7.6421 -7.5734 -7.5734 -2.3548 -2.3548 -0.9448 -0.9448 4.5480 4.5480 6.0623 6.0623 6.3286 6.3286 6.6209 6.6209 6.8958 6.8958 7.3465 7.3465 7.8192 7.8192 8.9174 8.9174 9.1032 9.1032 9.5650 9.5650 9.6241 9.6241 9.6819 9.6819 10.1462 10.1462 10.6496 10.6496 11.5805 11.5805 11.9108 11.9108 k =-0.0856 0.1907 0.2091 ( 3370 PWs) bands (ev): -25.9395 -25.9395 -8.7426 -8.7426 -7.6353 -7.6353 -7.5749 -7.5749 -2.3844 -2.3844 -0.9420 -0.9420 4.5113 4.5113 6.1202 6.1202 6.3473 6.3473 6.6193 6.6193 6.9269 6.9269 7.3525 7.3525 7.7985 7.7985 8.9121 8.9121 9.1079 9.1079 9.5886 9.5886 9.6481 9.6481 9.7072 9.7072 10.1862 10.1862 10.6288 10.6288 11.6253 11.6253 11.8587 11.8587 k =-0.0795 0.1771 0.1941 ( 3378 PWs) bands (ev): -25.9400 -25.9400 -8.7399 -8.7399 -7.6287 -7.6287 -7.5762 -7.5762 -2.4124 -2.4124 -0.9398 -0.9398 4.4762 4.4762 6.1756 6.1756 6.3604 6.3604 6.6179 6.6179 6.9636 6.9636 7.3581 7.3581 7.7790 7.7790 8.9065 8.9065 9.1117 9.1117 9.6122 9.6122 9.6708 9.6708 9.7314 9.7314 10.2265 10.2265 10.6097 10.6097 11.6691 11.6691 11.8136 11.8136 k =-0.0734 0.1635 0.1792 ( 3374 PWs) bands (ev): -25.9405 -25.9405 -8.7375 -8.7375 -7.6226 -7.6226 -7.5773 -7.5773 -2.4386 -2.4386 -0.9378 -0.9378 4.4430 4.4430 6.2276 6.2276 6.3698 6.3698 6.6167 6.6167 7.0044 7.0044 7.3636 7.3636 7.7609 7.7609 8.9009 8.9009 9.1144 9.1144 9.6360 9.6360 9.6922 9.6922 9.7543 9.7543 10.2668 10.2668 10.5923 10.5923 11.7101 11.7101 11.7779 11.7779 k =-0.0673 0.1499 0.1643 ( 3368 PWs) bands (ev): -25.9410 -25.9410 -8.7352 -8.7352 -7.6169 -7.6169 -7.5781 -7.5781 -2.4631 -2.4631 -0.9362 -0.9362 4.4120 4.4120 6.2742 6.2742 6.3780 6.3780 6.6158 6.6158 7.0474 7.0474 7.3689 7.3689 7.7442 7.7442 8.8952 8.8952 9.1162 9.1162 9.6597 9.6597 9.7122 9.7122 9.7759 9.7759 10.3062 10.3062 10.5764 10.5764 11.7322 11.7322 11.7682 11.7682 k =-0.0612 0.1362 0.1493 ( 3356 PWs) bands (ev): -25.9415 -25.9415 -8.7331 -8.7331 -7.6118 -7.6118 -7.5786 -7.5786 -2.4856 -2.4856 -0.9348 -0.9348 4.3831 4.3831 6.3111 6.3111 6.3900 6.3900 6.6151 6.6151 7.0910 7.0910 7.3742 7.3742 7.7288 7.7288 8.8897 8.8897 9.1171 9.1171 9.6831 9.6831 9.7306 9.7306 9.7960 9.7960 10.3440 10.3440 10.5621 10.5621 11.7195 11.7195 11.8007 11.8007 k =-0.0550 0.1226 0.1344 ( 3352 PWs) bands (ev): -25.9419 -25.9419 -8.7311 -8.7311 -7.6075 -7.6075 -7.5786 -7.5786 -2.5062 -2.5062 -0.9337 -0.9337 4.3567 4.3567 6.3326 6.3326 6.4119 6.4119 6.6149 6.6149 7.1336 7.1336 7.3796 7.3796 7.7148 7.7148 8.8844 8.8844 9.1170 9.1170 9.7059 9.7059 9.7475 9.7475 9.8146 9.8146 10.3794 10.3794 10.5493 10.5493 11.7103 11.7103 11.8376 11.8376 k =-0.0489 0.1090 0.1195 ( 3352 PWs) bands (ev): -25.9423 -25.9423 -8.7294 -8.7294 -7.6040 -7.6040 -7.5781 -7.5781 -2.5248 -2.5248 -0.9328 -0.9328 4.3328 4.3328 6.3405 6.3405 6.4420 6.4420 6.6151 6.6151 7.1738 7.1738 7.3853 7.3853 7.7022 7.7022 8.8794 8.8794 9.1162 9.1162 9.7277 9.7277 9.7627 9.7627 9.8316 9.8316 10.4117 10.4117 10.5378 10.5378 11.7108 11.7108 11.8729 11.8729 k =-0.0428 0.0954 0.1045 ( 3350 PWs) bands (ev): -25.9426 -25.9426 -8.7279 -8.7279 -7.6014 -7.6014 -7.5770 -7.5770 -2.5414 -2.5414 -0.9321 -0.9321 4.3115 4.3115 6.3419 6.3419 6.4733 6.4733 6.6160 6.6160 7.2103 7.2103 7.3917 7.3917 7.6911 7.6911 8.8749 8.8749 9.1148 9.1148 9.7481 9.7481 9.7763 9.7763 9.8472 9.8472 10.4403 10.4403 10.5279 10.5279 11.7218 11.7218 11.9056 11.9056 k =-0.0367 0.0817 0.0896 ( 3344 PWs) bands (ev): -25.9429 -25.9429 -8.7266 -8.7266 -7.5997 -7.5997 -7.5755 -7.5755 -2.5558 -2.5558 -0.9315 -0.9315 4.2929 4.2929 6.3410 6.3410 6.5018 6.5018 6.6177 6.6177 7.2420 7.2420 7.3989 7.3989 7.6814 7.6814 8.8709 8.8709 9.1131 9.1131 9.7667 9.7667 9.7881 9.7881 9.8612 9.8612 10.4646 10.4646 10.5195 10.5195 11.7436 11.7436 11.9353 11.9353 k =-0.0306 0.0681 0.0747 ( 3328 PWs) bands (ev): -25.9432 -25.9432 -8.7255 -8.7255 -7.5986 -7.5986 -7.5738 -7.5738 -2.5681 -2.5681 -0.9310 -0.9310 4.2771 4.2771 6.3391 6.3391 6.5256 6.5256 6.6206 6.6206 7.2680 7.2680 7.4070 7.4070 7.6733 7.6733 8.8674 8.8674 9.1112 9.1112 9.7831 9.7831 9.7983 9.7983 9.8736 9.8736 10.4843 10.4843 10.5129 10.5129 11.7757 11.7757 11.9618 11.9618 k =-0.0245 0.0545 0.0597 ( 3338 PWs) bands (ev): -25.9434 -25.9434 -8.7245 -8.7245 -7.5980 -7.5980 -7.5721 -7.5721 -2.5782 -2.5782 -0.9307 -0.9307 4.2640 4.2640 6.3369 6.3369 6.5439 6.5439 6.6247 6.6247 7.2881 7.2881 7.4158 7.4158 7.6666 7.6666 8.8645 8.8645 9.1092 9.1092 9.7967 9.7967 9.8067 9.8067 9.8842 9.8842 10.4973 10.4973 10.5099 10.5099 11.8168 11.8168 11.9852 11.9852 k =-0.0183 0.0409 0.0448 ( 3342 PWs) bands (ev): -25.9436 -25.9436 -8.7238 -8.7238 -7.5977 -7.5977 -7.5706 -7.5706 -2.5861 -2.5861 -0.9305 -0.9305 4.2538 4.2538 6.3349 6.3349 6.5566 6.5566 6.6297 6.6297 7.3024 7.3024 7.4245 7.4245 7.6615 7.6615 8.8622 8.8622 9.1074 9.1074 9.8072 9.8072 9.8137 9.8137 9.8928 9.8928 10.4984 10.4984 10.5161 10.5161 11.8642 11.8642 12.0065 12.0065 k =-0.0122 0.0272 0.0299 ( 3334 PWs) bands (ev): -25.9437 -25.9437 -8.7233 -8.7233 -7.5976 -7.5976 -7.5694 -7.5694 -2.5918 -2.5918 -0.9303 -0.9303 4.2465 4.2465 6.3334 6.3334 6.5645 6.5645 6.6346 6.6346 7.3118 7.3118 7.4319 7.4319 7.6578 7.6578 8.8605 8.8605 9.1060 9.1060 9.8141 9.8141 9.8194 9.8194 9.8993 9.8993 10.4960 10.4960 10.5234 10.5234 11.9121 11.9121 12.0288 12.0288 k =-0.0061 0.0136 0.0149 ( 3332 PWs) bands (ev): -25.9437 -25.9437 -8.7230 -8.7230 -7.5975 -7.5975 -7.5687 -7.5687 -2.5952 -2.5952 -0.9302 -0.9302 4.2421 4.2421 6.3324 6.3324 6.5687 6.5687 6.6382 6.6382 7.3170 7.3170 7.4368 7.4368 7.6556 7.6556 8.8595 8.8595 9.1052 9.1052 9.8178 9.8178 9.8233 9.8233 9.9032 9.9032 10.4943 10.4943 10.5280 10.5280 11.9482 11.9482 12.0575 12.0575 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -25.9438 -25.9438 -8.7229 -8.7229 -7.5975 -7.5975 -7.5684 -7.5684 -2.5963 -2.5963 -0.9302 -0.9302 4.2407 4.2407 6.3321 6.3321 6.5700 6.5700 6.6395 6.6395 7.3187 7.3187 7.4385 7.4385 7.6548 7.6548 8.8592 8.8592 9.1049 9.1049 9.8190 9.8190 9.8247 9.8247 9.9045 9.9045 10.4938 10.4938 10.5295 10.5295 11.9608 11.9608 12.0784 12.0785 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -25.9438 -25.9438 -8.7229 -8.7229 -7.5975 -7.5975 -7.5684 -7.5684 -2.5963 -2.5963 -0.9302 -0.9302 4.2407 4.2407 6.3321 6.3321 6.5700 6.5700 6.6395 6.6395 7.3187 7.3187 7.4385 7.4385 7.6548 7.6548 8.8592 8.8592 9.1049 9.1049 9.8190 9.8190 9.8247 9.8247 9.9045 9.9045 10.4938 10.4938 10.5295 10.5295 11.9608 11.9608 12.0784 12.0784 k = 0.0192 0.0086-0.0000 ( 3329 PWs) bands (ev): -25.9438 -25.9438 -8.7229 -8.7229 -7.5975 -7.5975 -7.5684 -7.5684 -2.5952 -2.5952 -0.9320 -0.9320 4.2434 4.2434 6.3311 6.3311 6.5698 6.5698 6.6392 6.6392 7.3188 7.3188 7.4387 7.4387 7.6548 7.6548 8.8594 8.8594 9.1033 9.1033 9.8192 9.8192 9.8251 9.8251 9.9049 9.9049 10.4938 10.4938 10.5323 10.5323 11.9603 11.9603 12.0786 12.0786 k = 0.0385 0.0173-0.0000 ( 3329 PWs) bands (ev): -25.9438 -25.9438 -8.7230 -8.7230 -7.5977 -7.5977 -7.5684 -7.5684 -2.5918 -2.5918 -0.9376 -0.9376 4.2517 4.2517 6.3281 6.3281 6.5690 6.5690 6.6385 6.6385 7.3192 7.3192 7.4392 7.4392 7.6549 7.6549 8.8601 8.8601 9.0982 9.0982 9.8198 9.8198 9.8263 9.8263 9.9059 9.9059 10.4937 10.4937 10.5407 10.5407 11.9583 11.9583 12.0789 12.0789 k = 0.0577 0.0259-0.0000 ( 3329 PWs) bands (ev): -25.9438 -25.9438 -8.7230 -8.7230 -7.5979 -7.5979 -7.5684 -7.5684 -2.5862 -2.5862 -0.9468 -0.9468 4.2653 4.2653 6.3233 6.3233 6.5677 6.5677 6.6372 6.6372 7.3198 7.3198 7.4401 7.4401 7.6549 7.6549 8.8612 8.8612 9.0898 9.0898 9.8208 9.8208 9.8284 9.8284 9.9077 9.9077 10.4937 10.4937 10.5546 10.5546 11.9526 11.9526 12.0794 12.0794 k = 0.0769 0.0345-0.0000 ( 3325 PWs) bands (ev): -25.9438 -25.9438 -8.7231 -8.7231 -7.5982 -7.5982 -7.5684 -7.5684 -2.5784 -2.5784 -0.9596 -0.9596 4.2842 4.2842 6.3166 6.3166 6.5660 6.5660 6.6356 6.6356 7.3206 7.3206 7.4412 7.4412 7.6550 7.6550 8.8628 8.8628 9.0786 9.0786 9.8222 9.8222 9.8312 9.8312 9.9100 9.9100 10.4938 10.4938 10.5735 10.5735 11.9339 11.9339 12.0456 12.0456 k = 0.0962 0.0432-0.0000 ( 3341 PWs) bands (ev): -25.9438 -25.9438 -8.7232 -8.7232 -7.5986 -7.5986 -7.5684 -7.5684 -2.5685 -2.5685 -0.9759 -0.9759 4.3082 4.3082 6.3080 6.3080 6.5638 6.5638 6.6334 6.6334 7.3215 7.3215 7.4426 7.4426 7.6550 7.6550 8.8648 8.8648 9.0648 9.0648 9.8236 9.8236 9.8347 9.8347 9.9129 9.9129 10.4938 10.4938 10.5971 10.5971 11.8788 11.8788 12.0087 12.0087 k = 0.1154 0.0518-0.0000 ( 3341 PWs) bands (ev): -25.9438 -25.9438 -8.7234 -8.7234 -7.5990 -7.5990 -7.5684 -7.5684 -2.5564 -2.5564 -0.9954 -0.9954 4.3370 4.3370 6.2978 6.2978 6.5612 6.5612 6.6309 6.6309 7.3227 7.3227 7.4444 7.4444 7.6551 7.6551 8.8674 8.8674 9.0488 9.0488 9.8254 9.8254 9.8390 9.8390 9.9166 9.9166 10.4937 10.4937 10.6249 10.6249 11.7879 11.7879 11.9968 11.9968 k = 0.1346 0.0604-0.0000 ( 3349 PWs) bands (ev): -25.9438 -25.9438 -8.7235 -8.7235 -7.5996 -7.5996 -7.5684 -7.5684 -2.5422 -2.5422 -1.0180 -1.0180 4.3703 4.3703 6.2859 6.2859 6.5583 6.5583 6.6280 6.6280 7.3241 7.3241 7.4463 7.4463 7.6552 7.6552 8.8705 8.8705 9.0311 9.0311 9.8273 9.8273 9.8439 9.8439 9.9208 9.9208 10.4937 10.4937 10.6565 10.6565 11.6797 11.6797 11.9937 11.9937 k = 0.1538 0.0691-0.0000 ( 3349 PWs) bands (ev): -25.9438 -25.9438 -8.7237 -8.7237 -7.6002 -7.6002 -7.5684 -7.5684 -2.5260 -2.5260 -1.0435 -1.0435 4.4078 4.4078 6.2725 6.2725 6.5550 6.5550 6.6248 6.6248 7.3255 7.3255 7.4484 7.4484 7.6553 7.6553 8.8741 8.8741 9.0121 9.0121 9.8293 9.8293 9.8495 9.8495 9.9257 9.9257 10.4937 10.4937 10.6911 10.6911 11.5624 11.5624 11.9937 11.9937 k = 0.1731 0.0777-0.0000 ( 3357 PWs) bands (ev): -25.9438 -25.9438 -8.7239 -8.7239 -7.6008 -7.6008 -7.5684 -7.5684 -2.5078 -2.5078 -1.0717 -1.0717 4.4491 4.4491 6.2578 6.2578 6.5515 6.5515 6.6212 6.6212 7.3271 7.3271 7.4507 7.4507 7.6555 7.6555 8.8783 8.8783 8.9922 8.9922 9.8314 9.8314 9.8556 9.8556 9.9311 9.9311 10.4936 10.4936 10.7283 10.7283 11.4398 11.4398 11.9949 11.9949 k = 0.1923 0.0863-0.0000 ( 3353 PWs) bands (ev): -25.9438 -25.9438 -8.7241 -8.7241 -7.6015 -7.6015 -7.5684 -7.5684 -2.4877 -2.4877 -1.1023 -1.1023 4.4938 4.4938 6.2418 6.2418 6.5480 6.5480 6.6175 6.6175 7.3288 7.3288 7.4531 7.4531 7.6557 7.6557 8.8831 8.8831 8.9720 8.9720 9.8333 9.8333 9.8621 9.8621 9.9370 9.9370 10.4935 10.4935 10.7676 10.7676 11.3141 11.3141 11.9968 11.9968 k = 0.2115 0.0949-0.0000 ( 3353 PWs) bands (ev): -25.9438 -25.9438 -8.7243 -8.7243 -7.6022 -7.6022 -7.5684 -7.5684 -2.4658 -2.4658 -1.1350 -1.1350 4.5414 4.5414 6.2247 6.2247 6.5443 6.5443 6.6137 6.6137 7.3305 7.3305 7.4556 7.4556 7.6559 7.6559 8.8886 8.8886 8.9514 8.9514 9.8352 9.8352 9.8690 9.8690 9.9433 9.9433 10.4934 10.4934 10.8082 10.8082 11.1872 11.1872 11.9990 11.9990 k = 0.2308 0.1036-0.0000 ( 3353 PWs) bands (ev): -25.9438 -25.9438 -8.7245 -8.7245 -7.6029 -7.6029 -7.5684 -7.5684 -2.4423 -2.4423 -1.1697 -1.1697 4.5914 4.5914 6.2067 6.2067 6.5405 6.5405 6.6099 6.6099 7.3322 7.3322 7.4581 7.4581 7.6561 7.6561 8.8947 8.8947 8.9311 8.9311 9.8369 9.8369 9.8761 9.8761 9.9500 9.9500 10.4933 10.4933 10.8497 10.8497 11.0606 11.0606 12.0013 12.0013 k = 0.2500 0.1122-0.0000 ( 3361 PWs) bands (ev): -25.9438 -25.9438 -8.7247 -8.7247 -7.6036 -7.6036 -7.5684 -7.5684 -2.4171 -2.4171 -1.2059 -1.2059 4.6433 4.6433 6.1879 6.1879 6.5368 6.5368 6.6059 6.6059 7.3339 7.3339 7.4606 7.4606 7.6563 7.6563 8.9015 8.9015 8.9110 8.9110 9.8386 9.8386 9.8834 9.8834 9.9570 9.9570 10.4931 10.4931 10.8914 10.8914 10.9356 10.9356 12.0036 12.0036 k = 0.2692 0.1208-0.0000 ( 3361 PWs) bands (ev): -25.9437 -25.9437 -8.7249 -8.7249 -7.6043 -7.6043 -7.5684 -7.5684 -2.3906 -2.3906 -1.2434 -1.2434 4.6964 4.6964 6.1684 6.1684 6.5331 6.5331 6.6020 6.6020 7.3356 7.3356 7.4631 7.4631 7.6566 7.6566 8.8918 8.8918 8.9090 8.9090 9.8400 9.8400 9.8907 9.8907 9.9642 9.9642 10.4930 10.4930 10.8135 10.8135 10.9328 10.9328 12.0059 12.0059 k = 0.2885 0.1295-0.0000 ( 3377 PWs) bands (ev): -25.9438 -25.9438 -8.7252 -8.7252 -7.6051 -7.6051 -7.5684 -7.5684 -2.3628 -2.3628 -1.2818 -1.2818 4.7501 4.7501 6.1486 6.1486 6.5295 6.5295 6.5982 6.5982 7.3372 7.3372 7.4654 7.4654 7.6567 7.6567 8.8735 8.8735 8.9172 8.9172 9.8412 9.8412 9.8978 9.8978 9.9712 9.9712 10.4924 10.4924 10.6955 10.6955 10.9735 10.9735 12.0080 12.0080 k = 0.3077 0.1381-0.0000 ( 3389 PWs) bands (ev): -25.9438 -25.9438 -8.7254 -8.7254 -7.6058 -7.6058 -7.5684 -7.5684 -2.3341 -2.3341 -1.3208 -1.3208 4.8037 4.8037 6.1285 6.1285 6.5260 6.5260 6.5945 6.5945 7.3387 7.3387 7.4677 7.4677 7.6569 7.6569 8.8562 8.8562 8.9262 8.9262 9.8424 9.8424 9.9048 9.9048 9.9783 9.9783 10.4906 10.4906 10.5838 10.5838 11.0128 11.0128 12.0099 12.0099 k = 0.3269 0.1467-0.0000 ( 3381 PWs) bands (ev): -25.9437 -25.9437 -8.7256 -8.7256 -7.6064 -7.6064 -7.5684 -7.5684 -2.3046 -2.3046 -1.3600 -1.3600 4.8565 4.8565 6.1084 6.1084 6.5228 6.5228 6.5911 6.5911 7.3402 7.3402 7.4698 7.4698 7.6571 7.6571 8.8402 8.8402 8.9359 8.9359 9.8434 9.8434 9.9114 9.9114 9.9853 9.9853 10.4631 10.4631 10.5035 10.5035 11.0503 11.0503 12.0116 12.0116 k = 0.3462 0.1554-0.0000 ( 3381 PWs) bands (ev): -25.9437 -25.9437 -8.7258 -8.7258 -7.6071 -7.6071 -7.5684 -7.5684 -2.2746 -2.2746 -1.3988 -1.3988 4.9076 4.9076 6.0885 6.0885 6.5198 6.5198 6.5879 6.5879 7.3416 7.3416 7.4718 7.4718 7.6573 7.6573 8.8255 8.8255 8.9462 8.9462 9.8443 9.8443 9.9175 9.9175 9.9919 9.9919 10.3697 10.3697 10.4962 10.4962 11.0854 11.0854 12.0131 12.0131 k = 0.3654 0.1640-0.0000 ( 3373 PWs) bands (ev): -25.9437 -25.9437 -8.7259 -8.7259 -7.6076 -7.6076 -7.5684 -7.5684 -2.2447 -2.2447 -1.4369 -1.4369 4.9563 4.9563 6.0692 6.0692 6.5172 6.5172 6.5851 6.5851 7.3428 7.3428 7.4736 7.4736 7.6574 7.6574 8.8124 8.8124 8.9570 8.9570 9.8451 9.8451 9.9228 9.9228 9.9981 9.9981 10.2781 10.2781 10.4952 10.4952 11.1177 11.1177 12.0145 12.0145 k = 0.3846 0.1726-0.0000 ( 3369 PWs) bands (ev): -25.9437 -25.9437 -8.7261 -8.7261 -7.6081 -7.6081 -7.5684 -7.5684 -2.2154 -2.2154 -1.4735 -1.4735 5.0016 5.0016 6.0508 6.0508 6.5148 6.5148 6.5825 6.5825 7.3439 7.3439 7.4752 7.4752 7.6576 7.6576 8.8008 8.8008 8.9680 8.9680 9.8457 9.8457 9.9272 9.9272 10.0038 10.0038 10.1952 10.1952 10.4949 10.4949 11.1466 11.1466 12.0155 12.0155 k = 0.4038 0.1813-0.0000 ( 3378 PWs) bands (ev): -25.9437 -25.9437 -8.7262 -8.7262 -7.6086 -7.6086 -7.5683 -7.5683 -2.1874 -2.1874 -1.5078 -1.5078 5.0424 5.0424 6.0338 6.0338 6.5127 6.5127 6.5802 6.5802 7.3448 7.3448 7.4765 7.4765 7.6577 7.6577 8.7906 8.7906 8.9789 8.9789 9.8463 9.8463 9.9301 9.9301 10.0088 10.0088 10.1229 10.1229 10.4947 10.4947 11.1718 11.1718 12.0164 12.0164 k = 0.4231 0.1899-0.0000 ( 3382 PWs) bands (ev): -25.9437 -25.9437 -8.7263 -8.7263 -7.6090 -7.6090 -7.5683 -7.5683 -2.1616 -2.1616 -1.5389 -1.5389 5.0778 5.0778 6.0187 6.0187 6.5110 6.5110 6.5783 6.5783 7.3456 7.3456 7.4777 7.4777 7.6578 7.6578 8.7824 8.7824 8.9891 8.9891 9.8467 9.8467 9.9306 9.9306 10.0129 10.0129 10.0633 10.0633 10.4946 10.4946 11.1931 11.1931 12.0170 12.0170 k = 0.4423 0.1985-0.0000 ( 3382 PWs) bands (ev): -25.9437 -25.9437 -8.7264 -8.7264 -7.6093 -7.6093 -7.5683 -7.5683 -2.1392 -2.1392 -1.5654 -1.5654 5.1068 5.1068 6.0060 6.0060 6.5096 6.5096 6.5768 6.5768 7.3462 7.3462 7.4786 7.4786 7.6579 7.6579 8.7759 8.7759 8.9982 8.9982 9.8470 9.8470 9.9273 9.9273 10.0163 10.0163 10.0190 10.0190 10.4945 10.4945 11.2099 11.2099 12.0175 12.0175 k = 0.4615 0.2072-0.0000 ( 3370 PWs) bands (ev): -25.9437 -25.9437 -8.7265 -8.7265 -7.6095 -7.6095 -7.5683 -7.5683 -2.1217 -2.1217 -1.5859 -1.5859 5.1283 5.1283 5.9964 5.9964 6.5086 6.5086 6.5757 6.5757 7.3466 7.3466 7.4792 7.4792 7.6580 7.6580 8.7713 8.7713 9.0053 9.0053 9.8474 9.8474 9.9190 9.9190 9.9925 9.9925 10.0189 10.0189 10.4945 10.4945 11.2221 11.2221 12.0178 12.0178 k = 0.4808 0.2158-0.0000 ( 3362 PWs) bands (ev): -25.9437 -25.9437 -8.7265 -8.7265 -7.6096 -7.6096 -7.5683 -7.5683 -2.1104 -2.1104 -1.5991 -1.5991 5.1416 5.1416 5.9904 5.9904 6.5080 6.5080 6.5751 6.5751 7.3469 7.3469 7.4796 7.4796 7.6582 7.6582 8.7685 8.7685 9.0099 9.0099 9.8475 9.8475 9.9092 9.9092 9.9809 9.9809 10.0205 10.0205 10.4944 10.4944 11.2296 11.2296 12.0180 12.0180 k = 0.5000 0.2244-0.0000 ( 3362 PWs) bands (ev): -25.9437 -25.9437 -8.7265 -8.7265 -7.6096 -7.6096 -7.5683 -7.5683 -2.1064 -2.1064 -1.6036 -1.6036 5.1461 5.1461 5.9884 5.9884 6.5078 6.5078 6.5748 6.5748 7.3470 7.3470 7.4798 7.4798 7.6582 7.6582 8.7675 8.7675 9.0115 9.0115 9.8476 9.8476 9.9050 9.9050 9.9779 9.9779 10.0210 10.0210 10.4944 10.4944 11.2320 11.2320 12.0181 12.0181 k = 0.5000 0.2244-0.0000 ( 3362 PWs) bands (ev): -25.9437 -25.9437 -8.7265 -8.7265 -7.6096 -7.6096 -7.5683 -7.5683 -2.1064 -2.1064 -1.6036 -1.6036 5.1461 5.1461 5.9884 5.9884 6.5078 6.5078 6.5748 6.5748 7.3470 7.3470 7.4798 7.4798 7.6582 7.6582 8.7675 8.7675 9.0115 9.0115 9.8476 9.8476 9.9050 9.9050 9.9779 9.9779 10.0210 10.0210 10.4944 10.4944 11.2320 11.2320 12.0181 12.0181 k = 0.4938 0.2383 0.0153 ( 3368 PWs) bands (ev): -25.9437 -25.9437 -8.7266 -8.7266 -7.6097 -7.6097 -7.5686 -7.5686 -2.1057 -2.1057 -1.6028 -1.6028 5.1465 5.1465 5.9878 5.9878 6.5080 6.5080 6.5750 6.5750 7.3441 7.3441 7.4768 7.4768 7.6588 7.6588 8.7697 8.7697 9.0105 9.0105 9.8466 9.8466 9.9045 9.9045 9.9773 9.9773 10.0198 10.0198 10.4958 10.4958 11.2346 11.2346 12.0161 12.0161 k = 0.4875 0.2523 0.0305 ( 3372 PWs) bands (ev): -25.9436 -25.9436 -8.7269 -8.7269 -7.6097 -7.6097 -7.5694 -7.5694 -2.1036 -2.1036 -1.6007 -1.6007 5.1475 5.1475 5.9860 5.9860 6.5086 6.5086 6.5754 6.5754 7.3352 7.3352 7.4684 7.4684 7.6606 7.6606 8.7758 8.7758 9.0074 9.0074 9.8440 9.8440 9.9031 9.9031 9.9756 9.9756 10.0164 10.0164 10.4998 10.4998 11.2421 11.2421 12.0092 12.0092 k = 0.4813 0.2662 0.0458 ( 3372 PWs) bands (ev): -25.9435 -25.9435 -8.7274 -8.7274 -7.6097 -7.6097 -7.5706 -7.5706 -2.1000 -2.1000 -1.5971 -1.5971 5.1491 5.1491 5.9830 5.9830 6.5095 6.5095 6.5761 6.5761 7.3193 7.3193 7.4560 7.4560 7.6639 7.6639 8.7853 8.7853 9.0026 9.0026 9.8397 9.8397 9.9008 9.9008 9.9726 9.9726 10.0116 10.0116 10.5064 10.5064 11.2544 11.2544 11.9953 11.9953 k = 0.4750 0.2801 0.0610 ( 3378 PWs) bands (ev): -25.9433 -25.9433 -8.7281 -8.7281 -7.6099 -7.6099 -7.5722 -7.5722 -2.0950 -2.0950 -1.5921 -1.5921 5.1513 5.1513 5.9787 5.9787 6.5109 6.5109 6.5774 6.5774 7.2952 7.2952 7.4415 7.4415 7.6685 7.6685 8.7971 8.7971 8.9971 8.9971 9.8336 9.8336 9.8972 9.8972 9.9677 9.9677 10.0065 10.0065 10.5150 10.5150 11.2711 11.2711 11.9729 11.9729 k = 0.4688 0.2940 0.0763 ( 3390 PWs) bands (ev): -25.9431 -25.9431 -8.7290 -8.7290 -7.6103 -7.6103 -7.5741 -7.5741 -2.0885 -2.0885 -1.5858 -1.5858 5.1538 5.1538 5.9729 5.9729 6.5128 6.5128 6.5791 6.5791 7.2622 7.2622 7.4266 7.4266 7.6745 7.6745 8.8094 8.8094 8.9918 8.9918 9.8257 9.8257 9.8923 9.8923 9.9605 9.9605 10.0026 10.0026 10.5254 10.5254 11.2919 11.2919 11.9429 11.9429 k = 0.4625 0.3079 0.0915 ( 3388 PWs) bands (ev): -25.9429 -25.9429 -8.7301 -8.7301 -7.6109 -7.6109 -7.5761 -7.5761 -2.0807 -2.0807 -1.5781 -1.5781 5.1567 5.1567 5.9655 5.9655 6.5151 6.5151 6.5817 6.5817 7.2206 7.2206 7.4120 7.4120 7.6819 7.6819 8.8203 8.8203 8.9886 8.9886 9.8161 9.8161 9.8856 9.8856 9.9507 9.9507 10.0011 10.0011 10.5373 10.5373 11.3162 11.3162 11.9072 11.9072 k = 0.4563 0.3218 0.1068 ( 3390 PWs) bands (ev): -25.9425 -25.9425 -8.7314 -8.7314 -7.6121 -7.6121 -7.5782 -7.5782 -2.0715 -2.0715 -1.5692 -1.5692 5.1594 5.1594 5.9564 5.9564 6.5181 6.5181 6.5851 6.5851 7.1716 7.1716 7.3979 7.3979 7.6907 7.6907 8.8270 8.8270 8.9896 8.9896 9.8048 9.8048 9.8767 9.8767 9.9389 9.9389 10.0027 10.0027 10.5504 10.5504 11.3436 11.3436 11.8674 11.8674 k = 0.4500 0.3357 0.1220 ( 3394 PWs) bands (ev): -25.9422 -25.9422 -8.7329 -8.7329 -7.6138 -7.6138 -7.5799 -7.5799 -2.0609 -2.0609 -1.5592 -1.5592 5.1620 5.1620 5.9454 5.9454 6.5219 6.5219 6.5893 6.5893 7.1166 7.1166 7.3839 7.3839 7.7009 7.7009 8.8277 8.8277 8.9963 8.9963 9.7916 9.7916 9.8649 9.8649 9.9259 9.9259 10.0075 10.0075 10.5642 10.5642 11.3735 11.3735 11.8252 11.8253 k = 0.4438 0.3496 0.1373 ( 3390 PWs) bands (ev): -25.9418 -25.9418 -8.7346 -8.7346 -7.6164 -7.6164 -7.5812 -7.5812 -2.0490 -2.0490 -1.5480 -1.5480 5.1641 5.1641 5.9324 5.9324 6.5266 6.5266 6.5946 6.5946 7.0572 7.0572 7.3697 7.3697 7.7124 7.7124 8.8223 8.8223 9.0089 9.0089 9.7768 9.7768 9.8502 9.8502 9.9126 9.9126 10.0157 10.0157 10.5784 10.5784 11.4054 11.4054 11.7819 11.7819 k = 0.4376 0.3636 0.1525 ( 3390 PWs) bands (ev): -25.9414 -25.9414 -8.7365 -8.7365 -7.6199 -7.6199 -7.5820 -7.5820 -2.0357 -2.0357 -1.5358 -1.5358 5.1653 5.1653 5.9173 5.9173 6.5324 6.5324 6.6007 6.6007 6.9948 6.9948 7.3552 7.3552 7.7253 7.7253 8.8117 8.8117 9.0258 9.0258 9.7602 9.7602 9.8324 9.8324 9.8988 9.8988 10.0273 10.0273 10.5928 10.5928 11.4384 11.4384 11.7384 11.7384 k = 0.4313 0.3775 0.1678 ( 3382 PWs) bands (ev): -25.9409 -25.9409 -8.7386 -8.7386 -7.6242 -7.6242 -7.5821 -7.5821 -2.0212 -2.0212 -1.5228 -1.5228 5.1651 5.1651 5.9001 5.9001 6.5394 6.5394 6.6078 6.6078 6.9308 6.9308 7.3402 7.3402 7.7396 7.7396 8.7979 8.7979 9.0452 9.0452 9.7419 9.7419 9.8120 9.8120 9.8847 9.8847 10.0425 10.0425 10.6070 10.6070 11.4719 11.4719 11.6957 11.6957 k = 0.4251 0.3914 0.1830 ( 3378 PWs) bands (ev): -25.9404 -25.9404 -8.7408 -8.7408 -7.6292 -7.6292 -7.5818 -7.5818 -2.0054 -2.0054 -1.5089 -1.5089 5.1633 5.1633 5.8808 5.8808 6.5477 6.5477 6.6157 6.6157 6.8665 6.8665 7.3246 7.3246 7.7552 7.7552 8.7819 8.7819 9.0656 9.0656 9.7219 9.7219 9.7894 9.7894 9.8698 9.8698 10.0610 10.0610 10.6209 10.6209 11.5046 11.5046 11.6547 11.6547 k = 0.4188 0.4053 0.1983 ( 3388 PWs) bands (ev): -25.9398 -25.9398 -8.7433 -8.7433 -7.6349 -7.6349 -7.5810 -7.5810 -1.9884 -1.9884 -1.4944 -1.4944 5.1591 5.1591 5.8594 5.8594 6.5575 6.5575 6.6243 6.6243 6.8034 6.8034 7.3083 7.3083 7.7722 7.7722 8.7649 8.7649 9.0857 9.0857 9.7002 9.7002 9.7648 9.7648 9.8540 9.8540 10.0831 10.0831 10.6341 10.6341 11.5352 11.5352 11.6161 11.6161 k = 0.4126 0.4192 0.2135 ( 3388 PWs) bands (ev): -25.9393 -25.9393 -8.7459 -8.7459 -7.6411 -7.6411 -7.5798 -7.5798 -1.9702 -1.9702 -1.4793 -1.4793 5.1523 5.1523 5.8362 5.8362 6.5686 6.5686 6.6331 6.6331 6.7431 6.7431 7.2915 7.2915 7.7905 7.7905 8.7477 8.7477 9.1048 9.1048 9.6770 9.6770 9.7387 9.7387 9.8371 9.8371 10.1086 10.1086 10.6465 10.6465 11.5587 11.5587 11.5839 11.5839 k = 0.4063 0.4331 0.2288 ( 3384 PWs) bands (ev): -25.9387 -25.9387 -8.7486 -8.7486 -7.6477 -7.6477 -7.5784 -7.5784 -1.9508 -1.9508 -1.4638 -1.4638 5.1423 5.1423 5.8112 5.8112 6.5806 6.5806 6.6391 6.6391 6.6900 6.6900 7.2741 7.2741 7.8103 7.8103 8.7308 8.7308 9.1222 9.1222 9.6523 9.6523 9.7111 9.7111 9.8190 9.8190 10.1373 10.1373 10.6579 10.6579 11.5421 11.5421 11.5895 11.5895 k = 0.4001 0.4470 0.2440 ( 3384 PWs) bands (ev): -25.9381 -25.9381 -8.7516 -8.7516 -7.6545 -7.6545 -7.5768 -7.5768 -1.9304 -1.9304 -1.4480 -1.4480 5.1285 5.1285 5.7846 5.7846 6.5903 6.5903 6.6225 6.6225 6.6680 6.6680 7.2562 7.2562 7.8314 7.8314 8.7144 8.7144 9.1375 9.1375 9.6262 9.6262 9.6823 9.6823 9.7997 9.7997 10.1691 10.1691 10.6683 10.6683 11.5128 11.5128 11.6035 11.6035 k = 0.3938 0.4609 0.2593 ( 3388 PWs) bands (ev): -25.9375 -25.9375 -8.7546 -8.7546 -7.6615 -7.6615 -7.5749 -7.5749 -1.9089 -1.9089 -1.4322 -1.4322 5.1108 5.1108 5.7568 5.7568 6.5666 6.5666 6.6169 6.6169 6.6754 6.6754 7.2378 7.2378 7.8537 7.8537 8.6989 8.6989 9.1503 9.1503 9.5987 9.5987 9.6522 9.6522 9.7792 9.7792 10.2037 10.2037 10.6775 10.6775 11.4861 11.4861 11.6089 11.6090 k = 0.3876 0.4749 0.2745 ( 3392 PWs) bands (ev): -25.9369 -25.9369 -8.7578 -8.7578 -7.6686 -7.6686 -7.5730 -7.5730 -1.8864 -1.8864 -1.4164 -1.4164 5.0887 5.0887 5.7279 5.7279 6.5252 6.5252 6.6316 6.6316 6.6874 6.6874 7.2190 7.2190 7.8774 7.8774 8.6845 8.6845 9.1606 9.1606 9.5699 9.5699 9.6212 9.6212 9.7576 9.7576 10.2406 10.2406 10.6856 10.6856 11.4625 11.4625 11.6033 11.6033 k = 0.3813 0.4888 0.2898 ( 3392 PWs) bands (ev): -25.9362 -25.9362 -8.7611 -8.7611 -7.6758 -7.6758 -7.5710 -7.5710 -1.8630 -1.8630 -1.4008 -1.4008 5.0624 5.0624 5.6982 5.6982 6.4871 6.4871 6.6490 6.6490 6.7011 6.7011 7.1998 7.1998 7.9023 7.9023 8.6713 8.6713 9.1680 9.1680 9.5400 9.5400 9.5891 9.5891 9.7351 9.7351 10.2793 10.2793 10.6924 10.6924 11.4423 11.4423 11.5856 11.5856 k = 0.3751 0.5027 0.3050 ( 3384 PWs) bands (ev): -25.9356 -25.9356 -8.7645 -8.7645 -7.6829 -7.6829 -7.5689 -7.5689 -1.8387 -1.8387 -1.3856 -1.3856 5.0319 5.0319 5.6680 5.6680 6.4543 6.4543 6.6675 6.6675 6.7161 6.7161 7.1804 7.1804 7.9286 7.9286 8.6596 8.6596 9.1727 9.1727 9.5089 9.5089 9.5562 9.5562 9.7116 9.7116 10.3192 10.3192 10.6981 10.6981 11.4255 11.4255 11.5563 11.5563 k = 0.3689 0.5166 0.3203 ( 3378 PWs) bands (ev): -25.9349 -25.9349 -8.7680 -8.7680 -7.6900 -7.6900 -7.5667 -7.5667 -1.8135 -1.8135 -1.3710 -1.3710 4.9975 4.9975 5.6375 5.6375 6.4269 6.4269 6.6867 6.6867 6.7322 6.7322 7.1609 7.1609 7.9561 7.9561 8.6493 8.6493 9.1745 9.1745 9.4768 9.4768 9.5225 9.5225 9.6875 9.6875 10.3592 10.3592 10.7026 10.7026 11.4119 11.4119 11.5172 11.5173 k = 0.3626 0.5305 0.3355 ( 3374 PWs) bands (ev): -25.9343 -25.9343 -8.7715 -8.7715 -7.6969 -7.6969 -7.5645 -7.5645 -1.7877 -1.7877 -1.3572 -1.3572 4.9599 4.9599 5.6070 5.6070 6.4048 6.4048 6.7061 6.7061 6.7494 6.7494 7.1412 7.1412 7.9848 7.9848 8.6405 8.6405 9.1735 9.1735 9.4437 9.4437 9.4881 9.4881 9.6627 9.6627 10.3982 10.3982 10.7059 10.7059 11.4012 11.4012 11.4719 11.4719 k = 0.3564 0.5444 0.3508 ( 3378 PWs) bands (ev): -25.9337 -25.9337 -8.7751 -8.7751 -7.7036 -7.7036 -7.5624 -7.5624 -1.7611 -1.7611 -1.3443 -1.3443 4.9197 4.9197 5.5768 5.5768 6.3873 6.3873 6.7255 6.7255 6.7680 6.7680 7.1214 7.1214 8.0147 8.0147 8.6334 8.6334 9.1696 9.1696 9.4095 9.4095 9.4533 9.4533 9.6376 9.6376 10.4342 10.4342 10.7083 10.7083 11.3922 11.3922 11.4255 11.4255 k = 0.3501 0.5583 0.3660 ( 3384 PWs) bands (ev): -25.9331 -25.9331 -8.7786 -8.7786 -7.7101 -7.7101 -7.5602 -7.5602 -1.7339 -1.7339 -1.3326 -1.3326 4.8776 4.8776 5.5471 5.5471 6.3738 6.3738 6.7447 6.7447 6.7877 6.7877 7.1017 7.1017 8.0458 8.0458 8.6279 8.6279 9.1631 9.1631 9.3744 9.3744 9.4183 9.4183 9.6122 9.6122 10.4653 10.4653 10.7098 10.7098 11.3713 11.3713 11.3961 11.3961 k = 0.3439 0.5723 0.3813 ( 3394 PWs) bands (ev): -25.9325 -25.9325 -8.7821 -8.7821 -7.7163 -7.7163 -7.5581 -7.5581 -1.7062 -1.7062 -1.3221 -1.3221 4.8346 4.8346 5.5182 5.5182 6.3636 6.3636 6.7634 6.7634 6.8086 6.8086 7.0821 7.0821 8.0779 8.0779 8.6241 8.6241 9.1541 9.1541 9.3383 9.3383 9.3831 9.3831 9.5867 9.5867 10.4886 10.4886 10.7106 10.7106 11.3354 11.3354 11.3915 11.3915 k = 0.3376 0.5862 0.3965 ( 3382 PWs) bands (ev): -25.9319 -25.9319 -8.7856 -8.7856 -7.7222 -7.7222 -7.5560 -7.5560 -1.6781 -1.6781 -1.3132 -1.3132 4.7915 4.7915 5.4903 5.4903 6.3559 6.3559 6.7819 6.7819 6.8304 6.8304 7.0629 7.0629 8.1112 8.1112 8.6221 8.6221 9.1427 9.1427 9.3014 9.3014 9.3482 9.3482 9.5615 9.5615 10.5015 10.5015 10.7108 10.7108 11.3088 11.3088 11.3919 11.3919 k = 0.3314 0.6001 0.4118 ( 3386 PWs) bands (ev): -25.9313 -25.9313 -8.7890 -8.7890 -7.7279 -7.7279 -7.5540 -7.5540 -1.6495 -1.6495 -1.3059 -1.3059 4.7490 4.7490 5.4637 5.4637 6.3498 6.3498 6.8000 6.8000 6.8525 6.8525 7.0440 7.0440 8.1455 8.1455 8.6217 8.6217 9.1291 9.1291 9.2636 9.2636 9.3138 9.3138 9.5365 9.5365 10.5016 10.5016 10.7104 10.7104 11.2971 11.2971 11.3951 11.3951 k = 0.3251 0.6140 0.4270 ( 3386 PWs) bands (ev): -25.9308 -25.9308 -8.7923 -8.7923 -7.7332 -7.7332 -7.5521 -7.5521 -1.6206 -1.6206 -1.3004 -1.3004 4.7078 4.7078 5.4386 5.4386 6.3445 6.3445 6.8180 6.8180 6.8745 6.8745 7.0258 7.0258 8.1808 8.1808 8.6232 8.6232 9.1135 9.1135 9.2250 9.2250 9.2800 9.2800 9.5120 9.5120 10.4883 10.4883 10.7098 10.7098 11.3024 11.3024 11.4005 11.4005 k = 0.3189 0.6279 0.4423 ( 3382 PWs) bands (ev): -25.9303 -25.9303 -8.7954 -8.7954 -7.7381 -7.7381 -7.5502 -7.5502 -1.5916 -1.5916 -1.2970 -1.2970 4.6688 4.6688 5.4151 5.4151 6.3393 6.3393 6.8358 6.8358 6.8955 6.8955 7.0089 7.0089 8.2171 8.2171 8.6264 8.6264 9.0960 9.0960 9.1861 9.1861 9.2471 9.2471 9.4881 9.4881 10.4629 10.4629 10.7091 10.7091 11.3241 11.3241 11.4081 11.4081 k = 0.3127 0.6418 0.4575 ( 3378 PWs) bands (ev): -25.9298 -25.9298 -8.7984 -8.7984 -7.7426 -7.7426 -7.5485 -7.5485 -1.5624 -1.5624 -1.2957 -1.2957 4.6324 4.6324 5.3936 5.3936 6.3333 6.3333 6.8536 6.8536 6.9139 6.9139 6.9946 6.9946 8.2542 8.2542 8.6313 8.6313 9.0767 9.0767 9.1473 9.1473 9.2151 9.2151 9.4651 9.4651 10.4279 10.4279 10.7087 10.7087 11.3599 11.3599 11.4179 11.4179 k = 0.3064 0.6557 0.4728 ( 3378 PWs) bands (ev): -25.9293 -25.9293 -8.8012 -8.8012 -7.7468 -7.7468 -7.5468 -7.5468 -1.5332 -1.5332 -1.2966 -1.2966 4.5993 4.5993 5.3742 5.3742 6.3261 6.3261 6.8712 6.8712 6.9257 6.9257 6.9868 6.9868 8.2921 8.2921 8.6380 8.6380 9.0548 9.0548 9.1097 9.1097 9.1844 9.1844 9.4429 9.4429 10.3865 10.3865 10.7086 10.7086 11.4051 11.4051 11.4314 11.4314 k = 0.3002 0.6696 0.4880 ( 3374 PWs) bands (ev): -25.9289 -25.9289 -8.8038 -8.8038 -7.7505 -7.7505 -7.5453 -7.5453 -1.5040 -1.5040 -1.3000 -1.3000 4.5697 4.5697 5.3571 5.3571 6.3169 6.3169 6.8887 6.8887 6.9254 6.9254 6.9907 6.9907 8.3307 8.3307 8.6463 8.6463 9.0288 9.0288 9.0755 9.0755 9.1551 9.1551 9.4217 9.4217 10.3414 10.3414 10.7092 10.7092 11.4359 11.4359 11.4698 11.4698 k = 0.2939 0.6836 0.5033 ( 3370 PWs) bands (ev): -25.9286 -25.9286 -8.8061 -8.8061 -7.7538 -7.7538 -7.5440 -7.5440 -1.4749 -1.4749 -1.3058 -1.3058 4.5442 4.5442 5.3424 5.3424 6.3052 6.3052 6.9042 6.9042 6.9174 6.9174 7.0037 7.0037 8.3700 8.3700 8.6561 8.6561 8.9969 8.9969 9.0471 9.0471 9.1276 9.1276 9.4018 9.4018 10.2948 10.2948 10.7105 10.7105 11.4513 11.4513 11.5318 11.5318 k = 0.2877 0.6975 0.5185 ( 3370 PWs) bands (ev): -25.9283 -25.9283 -8.8082 -8.8082 -7.7567 -7.7567 -7.5428 -7.5428 -1.4461 -1.4461 -1.3142 -1.3142 4.5231 4.5231 5.3304 5.3304 6.2906 6.2906 6.8991 6.8991 6.9262 6.9262 7.0196 7.0196 8.4099 8.4099 8.6674 8.6674 8.9598 8.9598 9.0245 9.0245 9.1019 9.1019 9.3831 9.3831 10.2481 10.2481 10.7127 10.7127 11.4663 11.4663 11.6006 11.6006 k = 0.2814 0.7114 0.5338 ( 3370 PWs) bands (ev): -25.9280 -25.9280 -8.8100 -8.8100 -7.7591 -7.7591 -7.5417 -7.5417 -1.4176 -1.4176 -1.3251 -1.3251 4.5065 4.5065 5.3212 5.3212 6.2727 6.2727 6.8845 6.8845 6.9433 6.9433 7.0355 7.0355 8.4502 8.4502 8.6798 8.6798 8.9201 8.9201 9.0057 9.0057 9.0783 9.0783 9.3658 9.3658 10.2025 10.2025 10.7159 10.7159 11.4820 11.4820 11.6737 11.6737 k = 0.2752 0.7253 0.5490 ( 3370 PWs) bands (ev): -25.9278 -25.9278 -8.8115 -8.8115 -7.7611 -7.7611 -7.5408 -7.5408 -1.3895 -1.3895 -1.3386 -1.3386 4.4946 4.4946 5.3150 5.3150 6.2513 6.2513 6.8692 6.8692 6.9607 6.9607 7.0503 7.0503 8.4908 8.4908 8.6931 8.6931 8.8795 8.8795 8.9897 8.9897 9.0573 9.0573 9.3499 9.3499 10.1584 10.1584 10.7203 10.7203 11.4985 11.4985 11.7497 11.7497 k = 0.2752 0.7253 0.5490 ( 3370 PWs) bands (ev): -25.9278 -25.9278 -8.8115 -8.8115 -7.7611 -7.7611 -7.5408 -7.5408 -1.3895 -1.3895 -1.3386 -1.3386 4.4946 4.4946 5.3150 5.3150 6.2513 6.2513 6.8692 6.8692 6.9607 6.9607 7.0503 7.0503 8.4908 8.4908 8.6931 8.6931 8.8795 8.8795 8.9897 8.9897 9.0573 9.0573 9.3499 9.3499 10.1584 10.1584 10.7203 10.7203 11.4985 11.4985 11.7497 11.7497 k = 0.2555 0.7213 0.5534 ( 3376 PWs) bands (ev): -25.9277 -25.9277 -8.8118 -8.8118 -7.7616 -7.7616 -7.5406 -7.5406 -1.3836 -1.3836 -1.3409 -1.3409 4.4934 4.4934 5.3108 5.3108 6.2467 6.2467 6.8640 6.8640 6.9665 6.9665 7.0532 7.0532 8.5026 8.5026 8.6977 8.6977 8.8679 8.8679 8.9857 8.9857 9.0517 9.0517 9.3435 9.3435 10.1499 10.1499 10.7218 10.7218 11.4769 11.4769 11.7985 11.7985 k = 0.2359 0.7173 0.5578 ( 3369 PWs) bands (ev): -25.9277 -25.9277 -8.8122 -8.8122 -7.7621 -7.7621 -7.5403 -7.5403 -1.3823 -1.3823 -1.3388 -1.3388 4.4952 4.4952 5.3011 5.3011 6.2465 6.2465 6.8578 6.8578 6.9734 6.9734 7.0540 7.0540 8.5148 8.5148 8.7036 8.7036 8.8564 8.8564 8.9821 8.9821 9.0466 9.0466 9.3330 9.3330 10.1488 10.1488 10.7232 10.7232 11.4248 11.4248 11.8755 11.8755 k = 0.2162 0.7133 0.5622 ( 3372 PWs) bands (ev): -25.9276 -25.9276 -8.8125 -8.8125 -7.7625 -7.7625 -7.5401 -7.5401 -1.3846 -1.3846 -1.3334 -1.3334 4.4999 4.4999 5.2861 5.2861 6.2506 6.2506 6.8512 6.8512 6.9807 6.9807 7.0525 7.0525 8.5271 8.5271 8.7107 8.7107 8.8452 8.8452 8.9787 8.9787 9.0420 9.0420 9.3189 9.3189 10.1548 10.1548 10.7245 10.7245 11.3626 11.3626 11.9055 11.9055 k = 0.1966 0.7093 0.5666 ( 3375 PWs) bands (ev): -25.9276 -25.9276 -8.8128 -8.8128 -7.7629 -7.7629 -7.5399 -7.5399 -1.3887 -1.3887 -1.3264 -1.3264 4.5073 4.5073 5.2664 5.2664 6.2587 6.2587 6.8445 6.8445 6.9879 6.9879 7.0491 7.0491 8.5396 8.5396 8.7184 8.7184 8.8346 8.8346 8.9754 8.9754 9.0382 9.0382 9.3017 9.3017 10.1672 10.1672 10.7256 10.7256 11.2976 11.2976 11.8930 11.8930 k = 0.1769 0.7053 0.5710 ( 3368 PWs) bands (ev): -25.9275 -25.9275 -8.8131 -8.8131 -7.7632 -7.7632 -7.5397 -7.5397 -1.3933 -1.3933 -1.3192 -1.3192 4.5172 4.5172 5.2428 5.2428 6.2700 6.2700 6.8380 6.8380 6.9948 6.9948 7.0441 7.0441 8.5524 8.5524 8.7262 8.7262 8.8252 8.8252 8.9721 8.9721 9.0353 9.0353 9.2822 9.2822 10.1852 10.1852 10.7266 10.7266 11.2323 11.2323 11.8794 11.8794 k = 0.1572 0.7012 0.5754 ( 3372 PWs) bands (ev): -25.9275 -25.9275 -8.8133 -8.8133 -7.7635 -7.7635 -7.5395 -7.5395 -1.3979 -1.3979 -1.3124 -1.3124 4.5293 4.5293 5.2162 5.2162 6.2838 6.2838 6.8319 6.8319 7.0011 7.0011 7.0379 7.0379 8.5652 8.5652 8.7329 8.7329 8.8177 8.8177 8.9684 8.9684 9.0336 9.0336 9.2609 9.2609 10.2079 10.2079 10.7274 10.7274 11.1681 11.1681 11.8665 11.8665 k = 0.1376 0.6972 0.5798 ( 3381 PWs) bands (ev): -25.9275 -25.9275 -8.8135 -8.8135 -7.7638 -7.7638 -7.5394 -7.5394 -1.4021 -1.4021 -1.3060 -1.3060 4.5432 4.5432 5.1877 5.1877 6.2991 6.2991 6.8263 6.8263 7.0060 7.0060 7.0313 7.0313 8.5782 8.5782 8.7369 8.7369 8.8137 8.8137 8.9643 8.9643 9.0332 9.0332 9.2385 9.2385 10.2342 10.2342 10.7280 10.7280 11.1058 11.1058 11.8546 11.8546 k = 0.1179 0.6932 0.5842 ( 3379 PWs) bands (ev): -25.9275 -25.9275 -8.8137 -8.8137 -7.7641 -7.7641 -7.5392 -7.5392 -1.4060 -1.4060 -1.3004 -1.3004 4.5584 4.5584 5.1584 5.1584 6.3152 6.3152 6.8213 6.8213 7.0082 7.0082 7.0262 7.0262 8.5912 8.5912 8.7367 8.7367 8.8144 8.8144 8.9597 8.9597 9.0346 9.0346 9.2159 9.2159 10.2634 10.2634 10.7284 10.7284 11.0462 11.0462 11.8441 11.8441 k = 0.0983 0.6892 0.5885 ( 3373 PWs) bands (ev): -25.9274 -25.9274 -8.8138 -8.8138 -7.7643 -7.7643 -7.5391 -7.5391 -1.4093 -1.4093 -1.2956 -1.2956 4.5743 4.5743 5.1298 5.1298 6.3309 6.3309 6.8169 6.8169 7.0054 7.0054 7.0253 7.0253 8.6043 8.6043 8.7321 8.7321 8.8196 8.8196 8.9546 8.9546 9.0376 9.0376 9.1934 9.1934 10.2942 10.2942 10.7288 10.7288 10.9902 10.9902 11.8350 11.8350 k = 0.0786 0.6852 0.5929 ( 3377 PWs) bands (ev): -25.9274 -25.9274 -8.8139 -8.8139 -7.7644 -7.7644 -7.5390 -7.5390 -1.4120 -1.4120 -1.2917 -1.2917 4.5899 4.5899 5.1030 5.1030 6.3454 6.3454 6.8131 6.8131 6.9994 6.9994 7.0272 7.0272 8.6172 8.6172 8.7243 8.7243 8.8276 8.8276 8.9490 8.9490 9.0425 9.0425 9.1717 9.1717 10.3251 10.3251 10.7289 10.7289 10.9390 10.9390 11.8275 11.8275 k = 0.0590 0.6812 0.5973 ( 3372 PWs) bands (ev): -25.9274 -25.9274 -8.8140 -8.8140 -7.7645 -7.7645 -7.5389 -7.5389 -1.4142 -1.4142 -1.2885 -1.2885 4.6042 4.6042 5.0796 5.0796 6.3577 6.3577 6.8102 6.8102 6.9932 6.9932 7.0296 7.0296 8.6298 8.6298 8.7148 8.7148 8.8366 8.8366 8.9434 8.9434 9.0490 9.0490 9.1515 9.1515 10.3542 10.3542 10.7290 10.7290 10.8943 10.8943 11.8217 11.8217 k = 0.0393 0.6772 0.6017 ( 3374 PWs) bands (ev): -25.9274 -25.9274 -8.8141 -8.8141 -7.7646 -7.7646 -7.5389 -7.5389 -1.4157 -1.4157 -1.2863 -1.2863 4.6159 4.6159 5.0612 5.0612 6.3672 6.3672 6.8080 6.8080 6.9880 6.9880 7.0315 7.0315 8.6417 8.6417 8.7048 8.7048 8.8449 8.8449 8.9382 8.9382 9.0566 9.0566 9.1336 9.1336 10.3789 10.3789 10.7291 10.7291 10.8585 10.8585 11.8175 11.8175 k = 0.0197 0.6732 0.6061 ( 3374 PWs) bands (ev): -25.9274 -25.9274 -8.8142 -8.8142 -7.7647 -7.7647 -7.5388 -7.5388 -1.4167 -1.4167 -1.2850 -1.2850 4.6236 4.6236 5.0493 5.0493 6.3732 6.3732 6.8067 6.8067 6.9847 6.9847 7.0327 7.0327 8.6515 8.6515 8.6959 8.6959 8.8508 8.8508 8.9344 8.9344 9.0640 9.0640 9.1199 9.1199 10.3959 10.3959 10.7291 10.7291 10.8349 10.8349 11.8150 11.8150 k = 0.0000 0.6692 0.6105 ( 3376 PWs) bands (ev): -25.9274 -25.9274 -8.8142 -8.8142 -7.7647 -7.7647 -7.5388 -7.5388 -1.4170 -1.4170 -1.2845 -1.2845 4.6264 4.6264 5.0452 5.0452 6.3752 6.3752 6.8062 6.8062 6.9835 6.9835 7.0331 7.0331 8.6559 8.6559 8.6918 8.6918 8.8530 8.8530 8.9330 8.9330 9.0675 9.0675 9.1143 9.1143 10.4021 10.4021 10.7291 10.7291 10.8266 10.8266 11.8141 11.8141 k = 0.0000 0.6692 0.6105 ( 3376 PWs) bands (ev): -25.9274 -25.9274 -8.8142 -8.8142 -7.7647 -7.7647 -7.5388 -7.5388 -1.4170 -1.4170 -1.2845 -1.2845 4.6264 4.6264 5.0452 5.0452 6.3752 6.3752 6.8062 6.8062 6.9835 6.9835 7.0331 7.0331 8.6559 8.6559 8.6918 8.6918 8.8530 8.8530 8.9330 8.9330 9.0675 9.0675 9.1143 9.1143 10.4021 10.4021 10.7291 10.7291 10.8266 10.8266 11.8141 11.8141 k = 0.0061 0.6556 0.6254 ( 3374 PWs) bands (ev): -25.9274 -25.9274 -8.8142 -8.8142 -7.7647 -7.7647 -7.5390 -7.5390 -1.4167 -1.4167 -1.2839 -1.2839 4.6272 4.6272 5.0449 5.0449 6.3743 6.3743 6.8062 6.8062 6.9813 6.9813 7.0346 7.0346 8.6524 8.6524 8.6887 8.6887 8.8540 8.8540 8.9371 8.9371 9.0672 9.0672 9.1147 9.1147 10.4022 10.4022 10.7113 10.7113 10.8417 10.8417 11.8020 11.8020 k = 0.0122 0.6420 0.6403 ( 3378 PWs) bands (ev): -25.9273 -25.9273 -8.8143 -8.8143 -7.7647 -7.7647 -7.5396 -7.5396 -1.4158 -1.4158 -1.2819 -1.2819 4.6297 4.6297 5.0440 5.0440 6.3718 6.3718 6.8061 6.8061 6.9750 6.9750 7.0388 7.0388 8.6426 8.6426 8.6796 8.6796 8.8570 8.8570 8.9484 8.9484 9.0664 9.0664 9.1159 9.1159 10.4025 10.4025 10.6736 10.6736 10.8716 10.8716 11.7672 11.7672 k = 0.0183 0.6284 0.6552 ( 3382 PWs) bands (ev): -25.9272 -25.9272 -8.8144 -8.8144 -7.7648 -7.7648 -7.5405 -7.5405 -1.4143 -1.4143 -1.2786 -1.2786 4.6338 4.6338 5.0424 5.0424 6.3676 6.3676 6.8058 6.8058 6.9651 6.9651 7.0453 7.0453 8.6282 8.6282 8.6649 8.6649 8.8617 8.8617 8.9646 8.9646 9.0656 9.0656 9.1178 9.1178 10.4028 10.4028 10.6292 10.6292 10.9029 10.9029 11.7142 11.7142 k = 0.0244 0.6148 0.6701 ( 3378 PWs) bands (ev): -25.9270 -25.9270 -8.8146 -8.8146 -7.7649 -7.7649 -7.5418 -7.5418 -1.4122 -1.4122 -1.2739 -1.2739 4.6395 4.6395 5.0402 5.0402 6.3618 6.3618 6.8054 6.8054 6.9520 6.9520 7.0538 7.0538 8.6107 8.6107 8.6459 8.6459 8.8667 8.8667 8.9836 8.9836 9.0654 9.0654 9.1206 9.1206 10.4030 10.4030 10.5822 10.5822 10.9318 10.9318 11.6484 11.6484 k = 0.0305 0.6013 0.6850 ( 3372 PWs) bands (ev): -25.9268 -25.9268 -8.8149 -8.8149 -7.7650 -7.7650 -7.5433 -7.5433 -1.4095 -1.4095 -1.2680 -1.2680 4.6467 4.6467 5.0373 5.0373 6.3546 6.3546 6.8047 6.8047 6.9360 6.9360 7.0642 7.0642 8.5912 8.5912 8.6240 8.6240 8.8703 8.8703 9.0038 9.0038 9.0668 9.0668 9.1242 9.1242 10.4028 10.4028 10.5340 10.5340 10.9571 10.9571 11.5745 11.5745 k = 0.0366 0.5877 0.6999 ( 3378 PWs) bands (ev): -25.9266 -25.9266 -8.8152 -8.8152 -7.7652 -7.7652 -7.5452 -7.5452 -1.4063 -1.4063 -1.2608 -1.2608 4.6554 4.6554 5.0338 5.0338 6.3462 6.3462 6.8036 6.8036 6.9171 6.9171 7.0764 7.0764 8.5702 8.5702 8.6000 8.6000 8.8708 8.8708 9.0238 9.0238 9.0705 9.0705 9.1289 9.1289 10.4017 10.4017 10.4855 10.4855 10.9778 10.9778 11.4968 11.4968 k = 0.0427 0.5741 0.7147 ( 3378 PWs) bands (ev): -25.9263 -25.9263 -8.8156 -8.8156 -7.7654 -7.7654 -7.5474 -7.5474 -1.4025 -1.4025 -1.2524 -1.2524 4.6653 4.6653 5.0295 5.0295 6.3366 6.3366 6.8019 6.8019 6.8958 6.8958 7.0906 7.0906 8.5482 8.5482 8.5750 8.5750 8.8672 8.8672 9.0420 9.0420 9.0773 9.0773 9.1353 9.1353 10.3984 10.3984 10.4381 10.4381 10.9939 10.9939 11.4187 11.4187 k = 0.0488 0.5605 0.7296 ( 3384 PWs) bands (ev): -25.9260 -25.9260 -8.8160 -8.8160 -7.7657 -7.7657 -7.5498 -7.5498 -1.3982 -1.3982 -1.2428 -1.2428 4.6764 4.6764 5.0244 5.0244 6.3261 6.3261 6.7994 6.7994 6.8722 6.8722 7.1067 7.1067 8.5253 8.5253 8.5496 8.5496 8.8589 8.8589 9.0570 9.0570 9.0874 9.0874 9.1442 9.1442 10.3818 10.3818 10.4029 10.4029 11.0050 11.0050 11.3426 11.3426 k = 0.0549 0.5469 0.7445 ( 3386 PWs) bands (ev): -25.9256 -25.9256 -8.8165 -8.8165 -7.7661 -7.7661 -7.5524 -7.5524 -1.3933 -1.3933 -1.2320 -1.2320 4.6886 4.6886 5.0185 5.0185 6.3148 6.3148 6.7957 6.7957 6.8472 6.8472 7.1247 7.1247 8.5017 8.5017 8.5245 8.5245 8.8462 8.8462 9.0676 9.0676 9.1000 9.1000 9.1563 9.1563 10.3386 10.3386 10.3928 10.3928 11.0113 11.0113 11.2706 11.2706 k = 0.0610 0.5333 0.7594 ( 3382 PWs) bands (ev): -25.9252 -25.9252 -8.8171 -8.8171 -7.7666 -7.7666 -7.5551 -7.5551 -1.3880 -1.3880 -1.2201 -1.2201 4.7015 4.7015 5.0119 5.0119 6.3030 6.3030 6.7893 6.7893 6.8224 6.8224 7.1446 7.1446 8.4771 8.4771 8.5002 8.5002 8.8297 8.8297 9.0737 9.0737 9.1143 9.1143 9.1718 9.1718 10.2932 10.2932 10.3831 10.3831 11.0128 11.0128 11.2044 11.2044 k = 0.0671 0.5198 0.7743 ( 3380 PWs) bands (ev): -25.9248 -25.9248 -8.8177 -8.8177 -7.7672 -7.7672 -7.5580 -7.5580 -1.3822 -1.3822 -1.2070 -1.2070 4.7151 4.7151 5.0043 5.0043 6.2907 6.2907 6.7748 6.7748 6.8034 6.8034 7.1662 7.1662 8.4515 8.4515 8.4772 8.4772 8.8100 8.8100 9.0755 9.0755 9.1296 9.1296 9.1898 9.1898 10.2485 10.2485 10.3704 10.3704 11.0099 11.0099 11.1452 11.1452 k = 0.0732 0.5062 0.7892 ( 3388 PWs) bands (ev): -25.9243 -25.9243 -8.8185 -8.8185 -7.7680 -7.7680 -7.5609 -7.5609 -1.3761 -1.3761 -1.1930 -1.1930 4.7291 4.7291 4.9959 4.9959 6.2782 6.2782 6.7497 6.7497 6.7933 6.7933 7.1896 7.1896 8.4253 8.4253 8.4553 8.4553 8.7878 8.7878 9.0736 9.0736 9.1455 9.1455 9.2094 9.2094 10.2051 10.2051 10.3537 10.3537 11.0025 11.0025 11.0939 11.0939 k = 0.0793 0.4926 0.8041 ( 3386 PWs) bands (ev): -25.9238 -25.9238 -8.8193 -8.8193 -7.7689 -7.7689 -7.5638 -7.5638 -1.3695 -1.3695 -1.1780 -1.1780 4.7432 4.7432 4.9866 4.9866 6.2656 6.2656 6.7201 6.7201 6.7860 6.7860 7.2147 7.2147 8.3989 8.3989 8.4346 8.4346 8.7636 8.7636 9.0684 9.0684 9.1617 9.1617 9.2296 9.2296 10.1630 10.1630 10.3330 10.3330 10.9911 10.9911 11.0509 11.0509 k = 0.0854 0.4790 0.8190 ( 3388 PWs) bands (ev): -25.9233 -25.9233 -8.8201 -8.8201 -7.7699 -7.7699 -7.5667 -7.5667 -1.3625 -1.3625 -1.1621 -1.1621 4.7572 4.7572 4.9764 4.9764 6.2532 6.2532 6.6891 6.6891 6.7791 6.7791 7.2414 7.2414 8.3723 8.3723 8.4148 8.4148 8.7378 8.7378 9.0602 9.0602 9.1777 9.1777 9.2500 9.2500 10.1223 10.1223 10.3083 10.3083 10.9756 10.9756 11.0165 11.0165 k = 0.0915 0.4654 0.8339 ( 3388 PWs) bands (ev): -25.9228 -25.9228 -8.8211 -8.8211 -7.7712 -7.7712 -7.5695 -7.5695 -1.3552 -1.3552 -1.1454 -1.1454 4.7708 4.7708 4.9652 4.9652 6.2409 6.2409 6.6580 6.6580 6.7718 6.7718 7.2697 7.2697 8.3459 8.3459 8.3960 8.3960 8.7111 8.7111 9.0493 9.0493 9.1934 9.1934 9.2701 9.2701 10.0829 10.0829 10.2802 10.2802 10.9568 10.9568 10.9895 10.9895 k = 0.0976 0.4518 0.8488 ( 3386 PWs) bands (ev): -25.9222 -25.9222 -8.8221 -8.8221 -7.7726 -7.7726 -7.5722 -7.5722 -1.3477 -1.3477 -1.1279 -1.1279 4.7835 4.7835 4.9532 4.9532 6.2291 6.2291 6.6274 6.6274 6.7639 6.7639 7.2993 7.2993 8.3200 8.3200 8.3782 8.3782 8.6835 8.6835 9.0358 9.0358 9.2085 9.2085 9.2896 9.2896 10.0449 10.0449 10.2493 10.2493 10.9369 10.9369 10.9673 10.9673 k = 0.1037 0.4382 0.8636 ( 3392 PWs) bands (ev): -25.9217 -25.9217 -8.8232 -8.8232 -7.7742 -7.7742 -7.5748 -7.5748 -1.3399 -1.3399 -1.1097 -1.1097 4.7952 4.7952 4.9403 4.9403 6.2177 6.2177 6.5978 6.5978 6.7554 6.7554 7.3303 7.3303 8.2944 8.2944 8.3613 8.3613 8.6556 8.6556 9.0199 9.0199 9.2229 9.2229 9.3084 9.3084 10.0081 10.0081 10.2164 10.2164 10.9176 10.9176 10.9473 10.9473 k = 0.1098 0.4247 0.8785 ( 3398 PWs) bands (ev): -25.9211 -25.9211 -8.8244 -8.8244 -7.7760 -7.7760 -7.5772 -7.5772 -1.3319 -1.3319 -1.0909 -1.0909 4.8055 4.8055 4.9266 4.9266 6.2068 6.2068 6.5699 6.5699 6.7464 6.7464 7.3625 7.3625 8.2695 8.2695 8.3453 8.3453 8.6276 8.6276 9.0017 9.0017 9.2363 9.2363 9.3264 9.3264 9.9726 9.9726 10.1819 10.1819 10.8994 10.8994 10.9283 10.9283 k = 0.1159 0.4111 0.8934 ( 3392 PWs) bands (ev): -25.9205 -25.9205 -8.8256 -8.8256 -7.7779 -7.7779 -7.5794 -7.5794 -1.3238 -1.3238 -1.0717 -1.0717 4.8140 4.8140 4.9122 4.9122 6.1966 6.1966 6.5440 6.5440 6.7369 6.7369 7.3959 7.3959 8.2454 8.2454 8.3303 8.3303 8.5998 8.5998 8.9817 8.9817 9.2487 9.2487 9.3435 9.3435 9.9382 9.9382 10.1465 10.1465 10.8817 10.8817 10.9104 10.9104 k = 0.1220 0.3975 0.9083 ( 3400 PWs) bands (ev): -25.9199 -25.9199 -8.8269 -8.8269 -7.7800 -7.7800 -7.5813 -7.5813 -1.3155 -1.3155 -1.0521 -1.0521 4.8205 4.8205 4.8971 4.8971 6.1871 6.1871 6.5206 6.5206 6.7269 6.7269 7.4301 7.4301 8.2219 8.2219 8.3163 8.3163 8.5723 8.5723 8.9599 8.9599 9.2599 9.2599 9.3595 9.3595 9.9050 9.9050 10.1104 10.1104 10.8641 10.8641 10.8933 10.8933 k = 0.1280 0.3839 0.9232 ( 3398 PWs) bands (ev): -25.9193 -25.9193 -8.8283 -8.8283 -7.7823 -7.7823 -7.5831 -7.5831 -1.3072 -1.3072 -1.0321 -1.0321 4.8246 4.8246 4.8816 4.8816 6.1784 6.1784 6.5002 6.5002 6.7165 6.7165 7.4651 7.4651 8.1995 8.1995 8.3033 8.3033 8.5453 8.5453 8.9368 8.9368 9.2698 9.2698 9.3745 9.3745 9.8729 9.8729 10.0737 10.0737 10.8465 10.8465 10.8771 10.8771 k = 0.1341 0.3703 0.9381 ( 3400 PWs) bands (ev): -25.9187 -25.9187 -8.8297 -8.8297 -7.7847 -7.7847 -7.5846 -7.5846 -1.2989 -1.2989 -1.0120 -1.0120 4.8260 4.8260 4.8657 4.8657 6.1705 6.1705 6.4830 6.4830 6.7059 6.7059 7.5008 7.5008 8.1781 8.1781 8.2913 8.2913 8.5191 8.5191 8.9126 8.9126 9.2785 9.2785 9.3883 9.3883 9.8419 9.8419 10.0365 10.0365 10.8291 10.8291 10.8613 10.8613 k = 0.1402 0.3567 0.9530 ( 3402 PWs) bands (ev): -25.9181 -25.9181 -8.8311 -8.8311 -7.7873 -7.7873 -7.5859 -7.5859 -1.2907 -1.2907 -0.9918 -0.9918 4.8244 4.8244 4.8499 4.8499 6.1634 6.1634 6.4693 6.4693 6.6950 6.6950 7.5368 7.5368 8.1580 8.1580 8.2803 8.2803 8.4937 8.4937 8.8878 8.8878 9.2858 9.2858 9.4008 9.4008 9.8121 9.8121 9.9985 9.9985 10.8122 10.8122 10.8458 10.8458 k = 0.1463 0.3432 0.9679 ( 3400 PWs) bands (ev): -25.9175 -25.9175 -8.8326 -8.8326 -7.7899 -7.7899 -7.5869 -7.5869 -1.2825 -1.2825 -0.9717 -0.9717 4.8189 4.8189 4.8352 4.8352 6.1571 6.1571 6.4592 6.4592 6.6841 6.6841 7.5729 7.5729 8.1393 8.1393 8.2704 8.2704 8.4692 8.4692 8.8626 8.8626 9.2916 9.2916 9.4121 9.4121 9.7836 9.7836 9.9597 9.9597 10.7960 10.7960 10.8304 10.8304 k = 0.1524 0.3296 0.9828 ( 3394 PWs) bands (ev): -25.9170 -25.9170 -8.8341 -8.8341 -7.7925 -7.7925 -7.5878 -7.5878 -1.2744 -1.2744 -0.9518 -0.9518 4.8081 4.8081 4.8231 4.8231 6.1516 6.1516 6.4528 6.4528 6.6732 6.6732 7.6088 7.6088 8.1223 8.1223 8.2614 8.2614 8.4458 8.4458 8.8372 8.8372 9.2961 9.2961 9.4220 9.4220 9.7564 9.7564 9.9201 9.9201 10.7809 10.7809 10.8151 10.8151 k = 0.1585 0.3160 0.9977 ( 3394 PWs) bands (ev): -25.9164 -25.9164 -8.8356 -8.8356 -7.7952 -7.7952 -7.5885 -7.5885 -1.2666 -1.2666 -0.9322 -0.9322 4.7934 4.7934 4.8126 4.8126 6.1469 6.1469 6.4499 6.4499 6.6624 6.6624 7.6440 7.6440 8.1074 8.1074 8.2533 8.2533 8.4236 8.4236 8.8121 8.8121 9.2989 9.2989 9.4304 9.4304 9.7307 9.7307 9.8797 9.8797 10.7669 10.7669 10.8002 10.8002 k = 0.1646 0.3024 1.0126 ( 3398 PWs) bands (ev): -25.9159 -25.9159 -8.8371 -8.8371 -7.7978 -7.7978 -7.5890 -7.5890 -1.2590 -1.2590 -0.9130 -0.9130 4.7775 4.7775 4.8013 4.8013 6.1428 6.1428 6.4503 6.4503 6.6518 6.6518 7.6779 7.6779 8.0950 8.0950 8.2462 8.2462 8.4025 8.4025 8.7874 8.7874 9.3002 9.3002 9.4370 9.4370 9.7065 9.7065 9.8386 9.8386 10.7541 10.7541 10.7857 10.7857 k = 0.1707 0.2888 1.0274 ( 3400 PWs) bands (ev): -25.9154 -25.9154 -8.8386 -8.8386 -7.8005 -7.8005 -7.5893 -7.5893 -1.2516 -1.2516 -0.8944 -0.8944 4.7615 4.7615 4.7888 4.7888 6.1394 6.1394 6.4539 6.4539 6.6415 6.6415 7.7098 7.7098 8.0857 8.0857 8.2400 8.2400 8.3828 8.3828 8.7634 8.7634 9.3001 9.3001 9.4415 9.4415 9.6841 9.6841 9.7974 9.7974 10.7426 10.7426 10.7719 10.7719 k = 0.1768 0.2752 1.0423 ( 3400 PWs) bands (ev): -25.9149 -25.9149 -8.8400 -8.8400 -7.8030 -7.8030 -7.5895 -7.5895 -1.2446 -1.2446 -0.8764 -0.8764 4.7457 4.7457 4.7750 4.7750 6.1366 6.1366 6.4601 6.4601 6.6316 6.6316 7.7388 7.7388 8.0805 8.0805 8.2348 8.2348 8.3643 8.3643 8.7403 8.7403 9.2984 9.2984 9.4435 9.4435 9.6634 9.6634 9.7566 9.7566 10.7323 10.7323 10.7591 10.7591 k = 0.1829 0.2616 1.0572 ( 3402 PWs) bands (ev): -25.9144 -25.9144 -8.8414 -8.8414 -7.8055 -7.8055 -7.5896 -7.5896 -1.2380 -1.2380 -0.8593 -0.8593 4.7304 4.7304 4.7603 4.7603 6.1342 6.1342 6.4686 6.4686 6.6221 6.6221 7.7639 7.7639 8.0800 8.0800 8.2303 8.2303 8.3471 8.3471 8.7183 8.7183 9.2954 9.2954 9.4422 9.4422 9.6447 9.6447 9.7176 9.7176 10.7232 10.7232 10.7472 10.7472 k = 0.1890 0.2481 1.0721 ( 3402 PWs) bands (ev): -25.9140 -25.9140 -8.8427 -8.8427 -7.8078 -7.8078 -7.5896 -7.5896 -1.2318 -1.2318 -0.8432 -0.8432 4.7158 4.7158 4.7452 4.7452 6.1323 6.1323 6.4789 6.4789 6.6132 6.6132 7.7841 7.7841 8.0852 8.0852 8.2267 8.2267 8.3313 8.3313 8.6976 8.6976 9.2912 9.2912 9.4367 9.4367 9.6278 9.6278 9.6819 9.6819 10.7153 10.7153 10.7366 10.7366 k = 0.1951 0.2345 1.0870 ( 3400 PWs) bands (ev): -25.9136 -25.9136 -8.8440 -8.8440 -7.8099 -7.8099 -7.5895 -7.5895 -1.2260 -1.2260 -0.8282 -0.8282 4.7020 4.7020 4.7301 4.7301 6.1307 6.1307 6.4905 6.4905 6.6050 6.6050 7.7989 7.7989 8.0961 8.0961 8.2238 8.2238 8.3169 8.3169 8.6782 8.6782 9.2860 9.2860 9.4257 9.4257 9.6127 9.6127 9.6513 9.6513 10.7084 10.7084 10.7271 10.7271 k = 0.2012 0.2209 1.1019 ( 3404 PWs) bands (ev): -25.9132 -25.9132 -8.8451 -8.8451 -7.8119 -7.8119 -7.5894 -7.5894 -1.2208 -1.2208 -0.8144 -0.8144 4.6890 4.6890 4.7155 4.7155 6.1294 6.1294 6.5027 6.5027 6.5974 6.5974 7.8086 7.8086 8.1123 8.1123 8.2216 8.2216 8.3038 8.3038 8.6602 8.6602 9.2801 9.2801 9.4085 9.4085 9.5994 9.5994 9.6272 9.6272 10.7025 10.7025 10.7187 10.7187 k = 0.2073 0.2073 1.1168 ( 3408 PWs) bands (ev): -25.9129 -25.9129 -8.8462 -8.8462 -7.8138 -7.8138 -7.5893 -7.5893 -1.2160 -1.2160 -0.8019 -0.8019 4.6771 4.6771 4.7017 4.7017 6.1284 6.1284 6.5150 6.5150 6.5905 6.5905 7.8138 7.8138 8.1326 8.1326 8.2200 8.2200 8.2922 8.2922 8.6439 8.6439 9.2738 9.2738 9.3854 9.3854 9.5885 9.5885 9.6095 9.6095 10.6976 10.6976 10.7116 10.7116 k = 0.2134 0.1937 1.1317 ( 3406 PWs) bands (ev): -25.9126 -25.9126 -8.8472 -8.8472 -7.8154 -7.8154 -7.5891 -7.5891 -1.2119 -1.2119 -0.7908 -0.7908 4.6664 4.6664 4.6892 4.6892 6.1277 6.1277 6.5270 6.5270 6.5845 6.5845 7.8159 7.8159 8.1552 8.1552 8.2191 8.2191 8.2820 8.2820 8.6292 8.6292 9.2674 9.2674 9.3586 9.3586 9.5802 9.5802 9.5968 9.5968 10.6935 10.6935 10.7056 10.7056 k = 0.2195 0.1801 1.1466 ( 3412 PWs) bands (ev): -25.9124 -25.9124 -8.8480 -8.8480 -7.8167 -7.8167 -7.5890 -7.5890 -1.2083 -1.2083 -0.7813 -0.7813 4.6568 4.6568 4.6784 4.6784 6.1271 6.1271 6.5381 6.5381 6.5793 6.5793 7.8159 7.8159 8.1782 8.1782 8.2189 8.2189 8.2731 8.2731 8.6162 8.6162 9.2612 9.2612 9.3303 9.3303 9.5745 9.5745 9.5876 9.5876 10.6903 10.6903 10.7007 10.7007 k = 0.2256 0.1666 1.1615 ( 3412 PWs) bands (ev): -25.9122 -25.9122 -8.8487 -8.8487 -7.8179 -7.8179 -7.5888 -7.5888 -1.2054 -1.2054 -0.7733 -0.7733 4.6486 4.6486 4.6694 4.6694 6.1266 6.1266 6.5478 6.5478 6.5751 6.5751 7.8147 7.8147 8.1992 8.1992 8.2199 8.2199 8.2658 8.2658 8.6052 8.6052 9.2557 9.2557 9.3034 9.3034 9.5708 9.5708 9.5808 9.5808 10.6877 10.6877 10.6968 10.6968 k = 0.2317 0.1530 1.1763 ( 3418 PWs) bands (ev): -25.9120 -25.9120 -8.8492 -8.8492 -7.8188 -7.8188 -7.5887 -7.5887 -1.2030 -1.2030 -0.7671 -0.7671 4.6419 4.6419 4.6623 4.6623 6.1263 6.1263 6.5558 6.5558 6.5717 6.5717 7.8132 7.8132 8.2123 8.2123 8.2263 8.2263 8.2599 8.2599 8.5962 8.5962 9.2510 9.2510 9.2801 9.2801 9.5687 9.5687 9.5758 9.5758 10.6857 10.6857 10.6938 10.6938 k = 0.2378 0.1394 1.1912 ( 3420 PWs) bands (ev): -25.9119 -25.9119 -8.8496 -8.8496 -7.8194 -7.8194 -7.5886 -7.5886 -1.2014 -1.2014 -0.7626 -0.7626 4.6369 4.6369 4.6573 4.6573 6.1260 6.1260 6.5616 6.5616 6.5695 6.5695 7.8117 7.8117 8.2154 8.2154 8.2387 8.2387 8.2557 8.2557 8.5896 8.5896 9.2471 9.2471 9.2625 9.2625 9.5676 9.5676 9.5722 9.5722 10.6843 10.6843 10.6917 10.6917 k = 0.2439 0.1258 1.2061 ( 3424 PWs) bands (ev): -25.9118 -25.9118 -8.8498 -8.8498 -7.8198 -7.8198 -7.5885 -7.5885 -1.2004 -1.2004 -0.7599 -0.7599 4.6339 4.6339 4.6542 4.6542 6.1259 6.1259 6.5648 6.5648 6.5685 6.5685 7.8107 7.8107 8.2162 8.2162 8.2474 8.2474 8.2534 8.2534 8.5854 8.5854 9.2438 9.2438 9.2521 9.2521 9.5674 9.5674 9.5697 9.5697 10.6835 10.6835 10.6905 10.6905 k = 0.2500 0.1122 1.2210 ( 3420 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2000 -1.2000 -0.7590 -0.7590 4.6329 4.6329 4.6532 4.6532 6.1259 6.1259 6.5655 6.5655 6.5686 6.5686 7.8104 7.8104 8.2164 8.2164 8.2498 8.2498 8.2534 8.2534 8.5840 8.5840 9.2421 9.2421 9.2492 9.2492 9.5677 9.5677 9.5686 9.5686 10.6833 10.6833 10.6901 10.6901 k = 0.2500 0.1122 1.2210 ( 3420 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2000 -1.2000 -0.7590 -0.7590 4.6329 4.6329 4.6532 4.6532 6.1259 6.1259 6.5655 6.5655 6.5686 6.5686 7.8104 7.8104 8.2164 8.2164 8.2498 8.2498 8.2534 8.2534 8.5840 8.5840 9.2421 9.2421 9.2492 9.2492 9.5677 9.5677 9.5686 9.5686 10.6833 10.6833 10.6901 10.6901 k = 0.2679 0.1202 1.2122 ( 3426 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2001 -1.2001 -0.7591 -0.7591 4.6291 4.6291 4.6575 4.6575 6.1257 6.1257 6.5559 6.5559 6.5779 6.5779 7.8114 7.8114 8.2158 8.2158 8.2477 8.2477 8.2549 8.2549 8.5844 8.5844 9.2391 9.2391 9.2530 9.2530 9.5673 9.5673 9.5691 9.5691 10.6833 10.6833 10.6901 10.6901 k = 0.2857 0.1282 1.2034 ( 3422 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8198 -7.8198 -7.5885 -7.5885 -1.2002 -1.2002 -0.7597 -0.7597 4.6223 4.6223 4.6659 4.6659 6.1251 6.1251 6.5448 6.5448 6.5882 6.5882 7.8145 7.8145 8.2138 8.2138 8.2435 8.2435 8.2572 8.2572 8.5858 8.5858 9.2341 9.2341 9.2600 9.2600 9.5670 9.5670 9.5699 9.5699 10.6835 10.6835 10.6903 10.6903 k = 0.3036 0.1363 1.1947 ( 3417 PWs) bands (ev): -25.9118 -25.9118 -8.8498 -8.8498 -7.8197 -7.8197 -7.5886 -7.5886 -1.2004 -1.2004 -0.7606 -0.7606 4.6154 4.6154 4.6756 4.6756 6.1241 6.1241 6.5338 6.5338 6.5978 6.5978 7.8194 7.8194 8.2102 8.2102 8.2380 8.2380 8.2599 8.2599 8.5888 8.5888 9.2290 9.2290 9.2682 9.2682 9.5667 9.5667 9.5710 9.5710 10.6838 10.6838 10.6907 10.6907 k = 0.3214 0.1443 1.1859 ( 3414 PWs) bands (ev): -25.9119 -25.9119 -8.8497 -8.8497 -7.8196 -7.8196 -7.5886 -7.5886 -1.2005 -1.2005 -0.7621 -0.7621 4.6092 4.6092 4.6860 4.6860 6.1226 6.1226 6.5232 6.5232 6.6064 6.6064 7.8259 7.8259 8.2039 8.2039 8.2320 8.2320 8.2629 8.2629 8.5934 8.5934 9.2241 9.2241 9.2769 9.2769 9.5663 9.5663 9.5723 9.5723 10.6841 10.6841 10.6914 10.6914 k = 0.3393 0.1523 1.1771 ( 3411 PWs) bands (ev): -25.9119 -25.9119 -8.8496 -8.8496 -7.8194 -7.8194 -7.5886 -7.5886 -1.2006 -1.2006 -0.7641 -0.7641 4.6042 4.6042 4.6965 4.6965 6.1208 6.1208 6.5132 6.5132 6.6139 6.6139 7.8340 7.8340 8.1935 8.1935 8.2272 8.2272 8.2659 8.2659 8.6000 8.6000 9.2194 9.2194 9.2857 9.2857 9.5659 9.5659 9.5739 9.5739 10.6844 10.6844 10.6924 10.6924 k = 0.3571 0.1603 1.1683 ( 3415 PWs) bands (ev): -25.9119 -25.9119 -8.8494 -8.8494 -7.8191 -7.8191 -7.5887 -7.5887 -1.2005 -1.2005 -0.7668 -0.7668 4.6005 4.6005 4.7070 4.7070 6.1186 6.1186 6.5039 6.5039 6.6202 6.6202 7.8432 7.8432 8.1788 8.1788 8.2239 8.2239 8.2691 8.2691 8.6083 8.6083 9.2152 9.2152 9.2942 9.2942 9.5654 9.5654 9.5757 9.5757 10.6847 10.6847 10.6939 10.6939 k = 0.3750 0.1683 1.1595 ( 3411 PWs) bands (ev): -25.9120 -25.9120 -8.8492 -8.8492 -7.8188 -7.8188 -7.5887 -7.5887 -1.2004 -1.2004 -0.7700 -0.7700 4.5983 4.5983 4.7175 4.7175 6.1161 6.1161 6.4954 6.4954 6.6252 6.6252 7.8534 7.8534 8.1604 8.1604 8.2218 8.2218 8.2725 8.2725 8.6183 8.6183 9.2114 9.2114 9.3024 9.3024 9.5648 9.5648 9.5777 9.5777 10.6849 10.6849 10.6959 10.6959 k = 0.3929 0.1763 1.1507 ( 3407 PWs) bands (ev): -25.9121 -25.9121 -8.8490 -8.8490 -7.8185 -7.8185 -7.5888 -7.5888 -1.2001 -1.2001 -0.7739 -0.7739 4.5978 4.5978 4.7276 4.7276 6.1135 6.1135 6.4879 6.4879 6.6290 6.6290 7.8643 7.8643 8.1391 8.1391 8.2205 8.2205 8.2759 8.2759 8.6297 8.6297 9.2082 9.2082 9.3102 9.3102 9.5643 9.5643 9.5800 9.5800 10.6850 10.6850 10.6984 10.6984 k = 0.4107 0.1844 1.1419 ( 3409 PWs) bands (ev): -25.9121 -25.9121 -8.8488 -8.8488 -7.8181 -7.8181 -7.5888 -7.5888 -1.1997 -1.1997 -0.7784 -0.7784 4.5989 4.5989 4.7374 4.7374 6.1106 6.1106 6.4815 6.4815 6.6315 6.6315 7.8756 7.8756 8.1156 8.1156 8.2195 8.2195 8.2794 8.2794 8.6423 8.6423 9.2056 9.2056 9.3173 9.3173 9.5638 9.5638 9.5825 9.5825 10.6850 10.6850 10.7014 10.7014 k = 0.4286 0.1924 1.1332 ( 3407 PWs) bands (ev): -25.9122 -25.9122 -8.8485 -8.8485 -7.8177 -7.8177 -7.5889 -7.5889 -1.1992 -1.1992 -0.7835 -0.7835 4.6017 4.6017 4.7466 4.7466 6.1077 6.1077 6.4763 6.4763 6.6326 6.6326 7.8871 7.8871 8.0903 8.0903 8.2190 8.2190 8.2830 8.2830 8.6559 8.6559 9.2035 9.2035 9.3240 9.3240 9.5632 9.5632 9.5853 9.5853 10.6850 10.6850 10.7049 10.7049 k = 0.4464 0.2004 1.1244 ( 3412 PWs) bands (ev): -25.9123 -25.9123 -8.8482 -8.8482 -7.8172 -7.8172 -7.5890 -7.5890 -1.1986 -1.1986 -0.7892 -0.7892 4.6061 4.6061 4.7553 4.7553 6.1048 6.1048 6.4724 6.4724 6.6325 6.6325 7.8985 7.8985 8.0640 8.0640 8.2186 8.2186 8.2866 8.2866 8.6700 8.6700 9.2021 9.2021 9.3304 9.3304 9.5625 9.5625 9.5883 9.5883 10.6849 10.6849 10.7088 10.7088 k = 0.4643 0.2084 1.1156 ( 3409 PWs) bands (ev): -25.9124 -25.9124 -8.8479 -8.8479 -7.8166 -7.8166 -7.5891 -7.5891 -1.1979 -1.1979 -0.7954 -0.7954 4.6120 4.6120 4.7633 4.7633 6.1019 6.1019 6.4698 6.4698 6.6310 6.6310 7.9095 7.9095 8.0372 8.0372 8.2184 8.2184 8.2903 8.2903 8.6844 8.6844 9.2013 9.2013 9.3367 9.3367 9.5619 9.5619 9.5916 9.5916 10.6848 10.6848 10.7131 10.7131 k = 0.4821 0.2164 1.1068 ( 3408 PWs) bands (ev): -25.9125 -25.9125 -8.8476 -8.8476 -7.8161 -7.8161 -7.5892 -7.5892 -1.1973 -1.1973 -0.8020 -0.8020 4.6194 4.6194 4.7707 4.7707 6.0992 6.0992 6.4687 6.4687 6.6283 6.6283 7.9191 7.9191 8.0112 8.0112 8.2182 8.2182 8.2940 8.2940 8.6987 8.6987 9.2011 9.2011 9.3432 9.3432 9.5612 9.5612 9.5953 9.5953 10.6848 10.6848 10.7177 10.7177 k = 0.5000 0.2244 1.0980 ( 3410 PWs) bands (ev): -25.9126 -25.9126 -8.8472 -8.8472 -7.8155 -7.8155 -7.5893 -7.5893 -1.1967 -1.1967 -0.8089 -0.8089 4.6280 4.6280 4.7773 4.7773 6.0966 6.0966 6.4689 6.4689 6.6243 6.6243 7.9251 7.9251 7.9885 7.9885 8.2182 8.2182 8.2977 8.2977 8.7125 8.7125 9.2015 9.2015 9.3503 9.3503 9.5604 9.5604 9.5992 9.5992 10.6846 10.6846 10.7226 10.7226 k = 0.5000 0.2244 1.0980 ( 3410 PWs) bands (ev): -25.9126 -25.9126 -8.8472 -8.8472 -7.8155 -7.8155 -7.5893 -7.5893 -1.1967 -1.1967 -0.8089 -0.8089 4.6280 4.6280 4.7773 4.7773 6.0966 6.0966 6.4689 6.4689 6.6243 6.6243 7.9251 7.9251 7.9885 7.9885 8.2182 8.2182 8.2977 8.2977 8.7125 8.7125 9.2015 9.2015 9.3503 9.3503 9.5604 9.5604 9.5992 9.5992 10.6846 10.6846 10.7226 10.7226 k = 0.5000 0.2244 1.0765 ( 3404 PWs) bands (ev): -25.9129 -25.9129 -8.8462 -8.8462 -7.8137 -7.8137 -7.5896 -7.5896 -1.1955 -1.1955 -0.8274 -0.8274 4.6521 4.6521 4.7940 4.7940 6.0896 6.0896 6.4713 6.4713 6.6129 6.6129 7.9270 7.9270 7.9448 7.9448 8.2182 8.2182 8.3077 8.3077 8.7461 8.7461 9.2035 9.2035 9.3706 9.3706 9.5584 9.5584 9.6102 9.6102 10.6843 10.6843 10.7359 10.7359 k = 0.5000 0.2244 1.0550 ( 3406 PWs) bands (ev): -25.9132 -25.9132 -8.8450 -8.8450 -7.8118 -7.8118 -7.5899 -7.5899 -1.1943 -1.1943 -0.8486 -0.8486 4.6796 4.6796 4.8133 4.8133 6.0803 6.0803 6.4739 6.4739 6.6019 6.6019 7.8840 7.8840 7.9441 7.9441 8.2183 8.2183 8.3192 8.3192 8.7803 8.7803 9.2060 9.2060 9.3937 9.3937 9.5561 9.5561 9.6229 9.6229 10.6838 10.6838 10.7512 10.7512 k = 0.5000 0.2244 1.0334 ( 3406 PWs) bands (ev): -25.9136 -25.9136 -8.8437 -8.8437 -7.8095 -7.8095 -7.5903 -7.5903 -1.1930 -1.1930 -0.8722 -0.8722 4.7101 4.7101 4.8352 4.8352 6.0685 6.0685 6.4766 6.4766 6.5922 6.5922 7.8304 7.8304 7.9531 7.9531 8.2183 8.2183 8.3323 8.3323 8.8149 8.8149 9.2088 9.2088 9.4197 9.4197 9.5536 9.5536 9.6376 9.6376 10.6833 10.6833 10.7684 10.7684 k = 0.5000 0.2244 1.0119 ( 3408 PWs) bands (ev): -25.9140 -25.9140 -8.8422 -8.8422 -7.8070 -7.8070 -7.5907 -7.5907 -1.1918 -1.1918 -0.8980 -0.8980 4.7434 4.7434 4.8597 4.8597 6.0538 6.0538 6.4794 6.4794 6.5843 6.5843 7.7750 7.7750 7.9633 7.9633 8.2181 8.2181 8.3469 8.3469 8.8498 8.8498 9.2120 9.2120 9.4484 9.4484 9.5507 9.5507 9.6542 9.6542 10.6828 10.6828 10.7875 10.7875 k = 0.5000 0.2244 0.9904 ( 3408 PWs) bands (ev): -25.9145 -25.9145 -8.8405 -8.8405 -7.8042 -7.8042 -7.5912 -7.5912 -1.1907 -1.1907 -0.9258 -0.9258 4.7792 4.7792 4.8867 4.8867 6.0361 6.0361 6.4822 6.4822 6.5789 6.5789 7.7185 7.7185 7.9745 7.9745 8.2173 8.2173 8.3630 8.3630 8.8848 8.8848 9.2158 9.2158 9.4798 9.4798 9.5478 9.5478 9.6726 9.6726 10.6822 10.6822 10.8086 10.8086 k = 0.5000 0.2244 0.9688 ( 3412 PWs) bands (ev): -25.9150 -25.9150 -8.8387 -8.8387 -7.8011 -7.8011 -7.5917 -7.5917 -1.1898 -1.1898 -0.9556 -0.9556 4.8172 4.8172 4.9163 4.9163 6.0151 6.0151 6.4852 6.4852 6.5762 6.5762 7.6616 7.6616 7.9866 7.9866 8.2158 8.2158 8.3805 8.3805 8.9200 8.9200 9.2200 9.2200 9.5132 9.5132 9.5453 9.5453 9.6929 9.6929 10.6815 10.6815 10.8317 10.8317 k = 0.5000 0.2244 0.9473 ( 3408 PWs) bands (ev): -25.9155 -25.9155 -8.8368 -8.8368 -7.7978 -7.7978 -7.5922 -7.5922 -1.1891 -1.1891 -0.9869 -0.9869 4.8572 4.8572 4.9484 4.9484 5.9912 5.9912 6.4884 6.4884 6.5763 6.5763 7.6046 7.6046 7.9994 7.9994 8.2135 8.2135 8.3994 8.3994 8.9555 8.9555 9.2249 9.2249 9.5372 9.5372 9.5544 9.5544 9.7153 9.7153 10.6807 10.6807 10.8568 10.8568 k = 0.5000 0.2244 0.9258 ( 3410 PWs) bands (ev): -25.9161 -25.9161 -8.8347 -8.8347 -7.7941 -7.7941 -7.5927 -7.5927 -1.1888 -1.1888 -1.0198 -1.0198 4.8989 4.8989 4.9829 4.9829 5.9644 5.9644 6.4921 6.4921 6.5790 6.5790 7.5478 7.5478 8.0131 8.0131 8.2104 8.2104 8.4197 8.4197 8.9912 8.9912 9.2304 9.2304 9.5359 9.5359 9.5912 9.5912 9.7394 9.7394 10.6799 10.6799 10.8840 10.8840 k = 0.5000 0.2244 0.9043 ( 3410 PWs) bands (ev): -25.9167 -25.9167 -8.8325 -8.8325 -7.7903 -7.7903 -7.5933 -7.5933 -1.1889 -1.1889 -1.0540 -1.0540 4.9419 4.9419 5.0198 5.0198 5.9352 5.9352 6.4964 6.4964 6.5841 6.5841 7.4914 7.4914 8.0275 8.0275 8.2062 8.2062 8.4414 8.4414 9.0272 9.0272 9.2366 9.2366 9.5325 9.5325 9.6322 9.6322 9.7656 9.7656 10.6789 10.6789 10.9134 10.9134 k = 0.5000 0.2244 0.8827 ( 3410 PWs) bands (ev): -25.9174 -25.9174 -8.8301 -8.8301 -7.7861 -7.7861 -7.5939 -7.5939 -1.1895 -1.1895 -1.0892 -1.0892 4.9859 4.9859 5.0591 5.0591 5.9039 5.9039 6.5012 6.5012 6.5914 6.5914 7.4357 7.4357 8.0428 8.0428 8.2010 8.2010 8.4643 8.4643 9.0634 9.0634 9.2435 9.2435 9.5288 9.5288 9.6756 9.6756 9.7936 9.7936 10.6779 10.6779 10.9450 10.9450 k = 0.5000 0.2244 0.8612 ( 3410 PWs) bands (ev): -25.9181 -25.9181 -8.8276 -8.8276 -7.7817 -7.7817 -7.5946 -7.5946 -1.1906 -1.1906 -1.1254 -1.1254 5.0307 5.0307 5.1007 5.1007 5.8711 5.8711 6.5065 6.5065 6.6007 6.6007 7.3809 7.3809 8.0589 8.0589 8.1947 8.1947 8.4885 8.4885 9.0999 9.0999 9.2511 9.2511 9.5250 9.5250 9.7210 9.7210 9.8237 9.8237 10.6768 10.6768 10.9790 10.9790 k = 0.5000 0.2244 0.8397 ( 3404 PWs) bands (ev): -25.9188 -25.9188 -8.8250 -8.8250 -7.7770 -7.7770 -7.5952 -7.5952 -1.1924 -1.1924 -1.1622 -1.1622 5.0760 5.0760 5.1446 5.1446 5.8372 5.8372 6.5121 6.5121 6.6118 6.6118 7.3273 7.3273 8.0758 8.0758 8.1872 8.1872 8.5138 8.5138 9.1366 9.1366 9.2596 9.2596 9.5213 9.5213 9.7683 9.7683 9.8559 9.8559 10.6757 10.6757 11.0155 11.0155 k = 0.5000 0.2244 0.8181 ( 3404 PWs) bands (ev): -25.9195 -25.9195 -8.8222 -8.8222 -7.7721 -7.7721 -7.5959 -7.5959 -1.2000 -1.2000 -1.1945 -1.1945 5.1214 5.1214 5.1908 5.1908 5.8026 5.8026 6.5179 6.5179 6.6246 6.6246 7.2750 7.2750 8.0935 8.0935 8.1788 8.1788 8.5402 8.5402 9.1731 9.1731 9.2690 9.2690 9.5177 9.5177 9.8172 9.8172 9.8899 9.8899 10.6744 10.6744 11.0547 11.0547 k = 0.5000 0.2244 0.7966 ( 3392 PWs) bands (ev): -25.9203 -25.9203 -8.8194 -8.8194 -7.7670 -7.7670 -7.5966 -7.5966 -1.2376 -1.2376 -1.1979 -1.1979 5.1668 5.1668 5.2390 5.2390 5.7677 5.7677 6.5238 6.5238 6.6390 6.6390 7.2242 7.2242 8.1118 8.1118 8.1697 8.1697 8.5676 8.5676 9.2094 9.2094 9.2796 9.2796 9.5143 9.5143 9.8673 9.8673 9.9262 9.9262 10.6731 10.6731 11.0967 11.0967 k = 0.5000 0.2244 0.7751 ( 3394 PWs) bands (ev): -25.9211 -25.9211 -8.8164 -8.8164 -7.7616 -7.7616 -7.5973 -7.5973 -1.2757 -1.2757 -1.2019 -1.2019 5.2119 5.2119 5.2894 5.2894 5.7329 5.7329 6.5296 6.5296 6.6548 6.6548 7.1749 7.1749 8.1291 8.1291 8.1614 8.1614 8.5958 8.5958 9.2449 9.2449 9.2915 9.2915 9.5113 9.5113 9.9185 9.9185 9.9645 9.9645 10.6717 10.6717 11.1416 11.1416 k = 0.5000 0.2244 0.7535 ( 3382 PWs) bands (ev): -25.9219 -25.9219 -8.8133 -8.8133 -7.7560 -7.7560 -7.5980 -7.5980 -1.3139 -1.3139 -1.2068 -1.2068 5.2564 5.2564 5.3417 5.3417 5.6984 5.6984 6.5351 6.5351 6.6720 6.6720 7.1275 7.1275 8.1362 8.1362 8.1633 8.1633 8.6248 8.6248 9.2781 9.2781 9.3060 9.3060 9.5088 9.5088 9.9701 9.9701 10.0049 10.0049 10.6702 10.6702 11.1896 11.1896 k = 0.5000 0.2244 0.7320 ( 3382 PWs) bands (ev): -25.9227 -25.9227 -8.8102 -8.8102 -7.7502 -7.7502 -7.5987 -7.5987 -1.3521 -1.3521 -1.2125 -1.2125 5.3002 5.3002 5.3959 5.3959 5.6646 5.6646 6.5404 6.5404 6.6905 6.6905 7.0820 7.0820 8.1275 8.1275 8.1809 8.1809 8.6544 8.6544 9.3043 9.3043 9.3275 9.3275 9.5072 9.5072 10.0217 10.0217 10.0475 10.0475 10.6686 10.6686 11.2405 11.2405 k = 0.5000 0.2244 0.7105 ( 3382 PWs) bands (ev): -25.9235 -25.9235 -8.8070 -8.8070 -7.7442 -7.7442 -7.5994 -7.5994 -1.3901 -1.3901 -1.2192 -1.2192 5.3429 5.3429 5.4517 5.4517 5.6320 5.6320 6.5452 6.5452 6.7100 6.7100 7.0386 7.0386 8.1145 8.1145 8.2030 8.2030 8.6843 8.6843 9.3222 9.3222 9.3567 9.3567 9.5069 9.5069 10.0728 10.0728 10.0923 10.0923 10.6669 10.6669 11.2946 11.2946 k = 0.5000 0.2244 0.6890 ( 3388 PWs) bands (ev): -25.9244 -25.9244 -8.8037 -8.8037 -7.7380 -7.7380 -7.6001 -7.6001 -1.4278 -1.4278 -1.2267 -1.2267 5.3844 5.3844 5.5081 5.5081 5.6017 5.6017 6.5497 6.5497 6.7305 6.7305 6.9973 6.9973 8.0998 8.0998 8.2268 8.2268 8.7146 8.7146 9.3377 9.3377 9.3870 9.3870 9.5085 9.5085 10.1230 10.1230 10.1388 10.1388 10.6651 10.6651 11.3516 11.3516 k = 0.5000 0.2244 0.6674 ( 3382 PWs) bands (ev): -25.9253 -25.9253 -8.8003 -8.8003 -7.7316 -7.7316 -7.6007 -7.6007 -1.4651 -1.4651 -1.2352 -1.2352 5.4242 5.4242 5.5511 5.5511 5.5879 5.5879 6.5537 6.5537 6.7516 6.7516 6.9585 6.9585 8.0842 8.0842 8.2520 8.2520 8.7448 8.7448 9.3532 9.3532 9.4149 9.4149 9.5134 9.5134 10.1721 10.1721 10.1862 10.1862 10.6633 10.6633 11.4117 11.4117 k = 0.5000 0.2244 0.6459 ( 3382 PWs) bands (ev): -25.9261 -25.9261 -8.7969 -8.7969 -7.7250 -7.7250 -7.6014 -7.6014 -1.5020 -1.5020 -1.2447 -1.2447 5.4610 5.4610 5.5361 5.5361 5.6368 5.6368 6.5572 6.5572 6.7730 6.7730 6.9226 6.9226 8.0677 8.0677 8.2784 8.2784 8.7748 8.7748 9.3689 9.3689 9.4382 9.4382 9.5232 9.5232 10.2191 10.2191 10.2348 10.2348 10.6613 10.6613 11.4745 11.4745 k = 0.5000 0.2244 0.6244 ( 3374 PWs) bands (ev): -25.9270 -25.9270 -8.7934 -8.7934 -7.7183 -7.7183 -7.6020 -7.6020 -1.5382 -1.5382 -1.2550 -1.2550 5.4841 5.4841 5.5232 5.5232 5.6984 5.6984 6.5602 6.5602 6.7933 6.7933 6.8908 6.8908 8.0506 8.0506 8.3058 8.3058 8.8044 8.8044 9.3849 9.3849 9.4560 9.4560 9.5391 9.5391 10.2615 10.2615 10.2859 10.2859 10.6593 10.6593 11.5398 11.5398 k = 0.5000 0.2244 0.6028 ( 3376 PWs) bands (ev): -25.9279 -25.9279 -8.7900 -8.7900 -7.7115 -7.7115 -7.6027 -7.6027 -1.5738 -1.5738 -1.2663 -1.2663 5.4701 5.4701 5.5462 5.5462 5.7625 5.7625 6.5626 6.5626 6.8075 6.8075 6.8683 6.8683 8.0328 8.0328 8.3343 8.3343 8.8330 8.8330 9.4009 9.4009 9.4691 9.4691 9.5603 9.5603 10.2977 10.2977 10.3397 10.3397 10.6572 10.6572 11.6073 11.6073 k = 0.5000 0.2244 0.5813 ( 3372 PWs) bands (ev): -25.9288 -25.9288 -8.7865 -8.7865 -7.7046 -7.7046 -7.6033 -7.6033 -1.6087 -1.6087 -1.2784 -1.2784 5.4462 5.4462 5.5785 5.5785 5.8283 5.8283 6.5646 6.5646 6.8019 6.8019 6.8684 6.8684 8.0146 8.0146 8.3637 8.3637 8.8605 8.8605 9.4167 9.4167 9.4805 9.4805 9.5843 9.5843 10.3269 10.3269 10.3960 10.3960 10.6551 10.6551 11.6764 11.6764 k = 0.5000 0.2244 0.5598 ( 3372 PWs) bands (ev): -25.9297 -25.9297 -8.7830 -8.7830 -7.6976 -7.6976 -7.6038 -7.6038 -1.6427 -1.6427 -1.2913 -1.2913 5.4220 5.4220 5.6108 5.6108 5.8954 5.8954 6.5661 6.5661 6.7811 6.7811 6.8867 6.8867 7.9961 7.9961 8.3939 8.3939 8.8864 8.8864 9.4320 9.4320 9.4922 9.4922 9.6095 9.6095 10.3483 10.3483 10.4544 10.4544 10.6528 10.6528 11.7466 11.7466 k = 0.5000 0.2244 0.5382 ( 3376 PWs) bands (ev): -25.9305 -25.9305 -8.7795 -8.7795 -7.6905 -7.6905 -7.6044 -7.6044 -1.6758 -1.6758 -1.3050 -1.3050 5.3986 5.3986 5.6418 5.6418 5.9637 5.9637 6.5669 6.5669 6.7578 6.7578 6.9104 6.9104 7.9772 7.9772 8.4250 8.4250 8.9102 8.9102 9.4468 9.4468 9.5056 9.5056 9.6347 9.6347 10.3615 10.3615 10.5148 10.5148 10.6502 10.6502 11.8169 11.8169 k = 0.5000 0.2244 0.5167 ( 3380 PWs) bands (ev): -25.9314 -25.9314 -8.7760 -8.7760 -7.6834 -7.6834 -7.6049 -7.6049 -1.7080 -1.7080 -1.3194 -1.3194 5.3763 5.3763 5.6712 5.6712 6.0331 6.0331 6.5673 6.5673 6.7352 6.7352 6.9361 6.9361 7.9582 7.9582 8.4568 8.4568 8.9317 8.9317 9.4615 9.4615 9.5211 9.5211 9.6592 9.6592 10.3663 10.3663 10.5773 10.5773 10.6474 10.6474 11.8866 11.8866 k = 0.5000 0.2244 0.4952 ( 3376 PWs) bands (ev): -25.9323 -25.9323 -8.7726 -8.7726 -7.6763 -7.6763 -7.6053 -7.6053 -1.7391 -1.7391 -1.3343 -1.3343 5.3552 5.3552 5.6991 5.6991 6.1034 6.1034 6.5673 6.5673 6.7144 6.7144 6.9628 6.9628 7.9392 7.9392 8.4893 8.4893 8.9503 8.9503 9.4766 9.4766 9.5387 9.5387 9.6830 9.6830 10.3631 10.3631 10.6415 10.6415 10.6446 10.6446 11.9545 11.9545 k = 0.5000 0.2244 0.4737 ( 3372 PWs) bands (ev): -25.9331 -25.9331 -8.7692 -8.7692 -7.6692 -7.6692 -7.6058 -7.6058 -1.7692 -1.7692 -1.3498 -1.3498 5.3354 5.3354 5.7254 5.7254 6.1744 6.1744 6.5667 6.5667 6.6955 6.6955 6.9901 6.9901 7.9201 7.9201 8.5223 8.5223 8.9657 8.9657 9.4928 9.4928 9.5578 9.5578 9.7057 9.7057 10.3525 10.3525 10.6411 10.6411 10.7081 10.7081 12.0193 12.0193 k = 0.5000 0.2244 0.4521 ( 3368 PWs) bands (ev): -25.9339 -25.9339 -8.7659 -8.7659 -7.6621 -7.6621 -7.6061 -7.6061 -1.7982 -1.7982 -1.3656 -1.3656 5.3167 5.3167 5.7500 5.7500 6.2460 6.2460 6.5656 6.5656 6.6786 6.6786 7.0178 7.0178 7.9010 7.9010 8.5556 8.5556 8.9776 8.9776 9.5106 9.5106 9.5780 9.5780 9.7274 9.7274 10.3357 10.3357 10.6377 10.6377 10.7761 10.7761 12.0795 12.0795 k = 0.5000 0.2244 0.4306 ( 3378 PWs) bands (ev): -25.9348 -25.9348 -8.7626 -8.7626 -7.6551 -7.6551 -7.6065 -7.6065 -1.8261 -1.8261 -1.3818 -1.3818 5.2992 5.2992 5.7731 5.7731 6.3177 6.3177 6.5640 6.5640 6.6638 6.6638 7.0457 7.0457 7.8822 7.8822 8.5892 8.5892 8.9861 8.9861 9.5301 9.5301 9.5990 9.5990 9.7478 9.7478 10.3139 10.3139 10.6340 10.6340 10.8459 10.8459 12.1324 12.1324 k = 0.5000 0.2244 0.4091 ( 3386 PWs) bands (ev): -25.9355 -25.9355 -8.7594 -8.7594 -7.6482 -7.6482 -7.6067 -7.6067 -1.8527 -1.8527 -1.3982 -1.3982 5.2829 5.2829 5.7948 5.7948 6.3892 6.3892 6.5621 6.5621 6.6513 6.6513 7.0738 7.0738 7.8636 7.8636 8.6229 8.6229 8.9910 8.9910 9.5513 9.5513 9.6204 9.6204 9.7672 9.7672 10.2883 10.2883 10.6300 10.6300 10.9172 10.9172 12.0768 12.0768 k = 0.5000 0.2244 0.3875 ( 3388 PWs) bands (ev): -25.9363 -25.9363 -8.7564 -8.7564 -7.6415 -7.6415 -7.6069 -7.6069 -1.8782 -1.8782 -1.4147 -1.4147 5.2677 5.2677 5.8150 5.8150 6.4592 6.4592 6.5605 6.5605 6.6414 6.6414 7.1019 7.1019 7.8454 7.8454 8.6565 8.6565 8.9924 8.9924 9.5741 9.5741 9.6423 9.6423 9.7856 9.7856 10.2603 10.2603 10.6257 10.6257 10.9900 10.9900 12.0037 12.0037 k = 0.5000 0.2244 0.3660 ( 3380 PWs) bands (ev): -25.9371 -25.9371 -8.7534 -8.7534 -7.6349 -7.6349 -7.6070 -7.6070 -1.9024 -1.9024 -1.4312 -1.4312 5.2535 5.2535 5.8338 5.8338 6.5220 6.5220 6.5631 6.5631 6.6358 6.6358 7.1298 7.1298 7.8277 7.8277 8.6899 8.6899 8.9906 8.9906 9.5981 9.5981 9.6645 9.6645 9.8028 9.8028 10.2309 10.2309 10.6212 10.6212 11.0641 11.0641 11.9314 11.9314 k = 0.5000 0.2244 0.3445 ( 3374 PWs) bands (ev): -25.9378 -25.9378 -8.7505 -8.7505 -7.6286 -7.6286 -7.6070 -7.6070 -1.9253 -1.9253 -1.4475 -1.4475 5.2405 5.2405 5.8514 5.8514 6.5447 6.5447 6.5905 6.5905 6.6461 6.6461 7.1576 7.1576 7.8105 7.8105 8.7227 8.7227 8.9858 8.9858 9.6229 9.6229 9.6867 9.6867 9.8190 9.8190 10.2011 10.2011 10.6161 10.6161 11.1392 11.1392 11.8606 11.8606 k = 0.5000 0.2244 0.3229 ( 3386 PWs) bands (ev): -25.9384 -25.9384 -8.7478 -8.7478 -7.6228 -7.6228 -7.6067 -7.6067 -1.9470 -1.9470 -1.4636 -1.4636 5.2284 5.2284 5.8677 5.8677 6.5440 6.5440 6.6018 6.6018 6.6965 6.6965 7.1849 7.1849 7.7937 7.7937 8.7548 8.7548 8.9781 8.9781 9.6479 9.6479 9.7090 9.7090 9.8342 9.8342 10.1717 10.1717 10.6106 10.6106 11.2151 11.2151 11.7916 11.7917 k = 0.5000 0.2244 0.3014 ( 3386 PWs) bands (ev): -25.9391 -25.9391 -8.7452 -8.7452 -7.6176 -7.6176 -7.6059 -7.6059 -1.9673 -1.9673 -1.4793 -1.4793 5.2172 5.2172 5.8830 5.8830 6.5408 6.5408 6.6001 6.6001 6.7623 6.7623 7.2117 7.2117 7.7777 7.7777 8.7859 8.7859 8.9680 8.9680 9.6726 9.6726 9.7315 9.7315 9.8484 9.8484 10.1436 10.1436 10.6046 10.6046 11.2914 11.2914 11.7251 11.7251 k = 0.5000 0.2244 0.2799 ( 3386 PWs) bands (ev): -25.9397 -25.9397 -8.7427 -8.7427 -7.6138 -7.6138 -7.6041 -7.6041 -1.9863 -1.9863 -1.4945 -1.4945 5.2070 5.2070 5.8971 5.8971 6.5371 6.5371 6.5968 6.5968 6.8299 6.8299 7.2379 7.2379 7.7624 7.7624 8.8158 8.8158 8.9555 8.9555 9.6964 9.6964 9.7541 9.7541 9.8617 9.8617 10.1172 10.1172 10.5979 10.5979 11.3677 11.3677 11.6613 11.6613 k = 0.5000 0.2244 0.2584 ( 3386 PWs) bands (ev): -25.9403 -25.9403 -8.7404 -8.7404 -7.6117 -7.6117 -7.6008 -7.6008 -2.0039 -2.0039 -1.5091 -1.5091 5.1976 5.1976 5.9102 5.9102 6.5333 6.5333 6.5934 6.5934 6.8967 6.8967 7.2634 7.2634 7.7479 7.7479 8.8442 8.8442 8.9411 8.9411 9.7189 9.7189 9.7767 9.7767 9.8742 9.8742 10.0931 10.0931 10.5906 10.5906 11.4433 11.4433 11.6012 11.6012 k = 0.5000 0.2244 0.2368 ( 3386 PWs) bands (ev): -25.9408 -25.9408 -8.7383 -8.7383 -7.6108 -7.6108 -7.5966 -7.5966 -2.0202 -2.0202 -1.5230 -1.5230 5.1891 5.1891 5.9223 5.9223 6.5296 6.5296 6.5903 6.5903 6.9618 6.9618 7.2881 7.2881 7.7343 7.7343 8.8708 8.8708 8.9250 8.9250 9.7398 9.7398 9.7990 9.7990 9.8860 9.8860 10.0717 10.0717 10.5825 10.5825 11.5129 11.5129 11.5499 11.5499 k = 0.5000 0.2244 0.2153 ( 3388 PWs) bands (ev): -25.9413 -25.9413 -8.7363 -8.7363 -7.6103 -7.6103 -7.5922 -7.5922 -2.0351 -2.0351 -1.5360 -1.5360 5.1815 5.1815 5.9333 5.9333 6.5260 6.5260 6.5875 6.5875 7.0243 7.0243 7.3120 7.3120 7.7216 7.7216 8.8952 8.8952 8.9079 8.9079 9.7588 9.7588 9.8205 9.8205 9.8974 9.8974 10.0532 10.0532 10.5738 10.5738 11.4877 11.4877 11.5959 11.5959 k = 0.5000 0.2244 0.1938 ( 3384 PWs) bands (ev): -25.9418 -25.9418 -8.7345 -8.7345 -7.6101 -7.6101 -7.5880 -7.5880 -2.0486 -2.0486 -1.5482 -1.5482 5.1746 5.1746 5.9435 5.9435 6.5228 6.5228 6.5850 6.5850 7.0836 7.0836 7.3349 7.3349 7.7099 7.7099 8.8889 8.8889 8.9182 8.9182 9.7759 9.7759 9.8405 9.8405 9.9087 9.9087 10.0378 10.0378 10.5643 10.5643 11.4402 11.4402 11.6665 11.6665 k = 0.5000 0.2244 0.1722 ( 3380 PWs) bands (ev): -25.9422 -25.9422 -8.7328 -8.7328 -7.6100 -7.6100 -7.5841 -7.5841 -2.0607 -2.0607 -1.5593 -1.5593 5.1686 5.1686 5.9526 5.9526 6.5198 6.5198 6.5829 6.5829 7.1386 7.1386 7.3570 7.3570 7.6993 7.6993 8.8700 8.8700 8.9382 8.9382 9.7911 9.7911 9.8580 9.8580 9.9203 9.9203 10.0258 10.0258 10.5543 10.5543 11.3967 11.3967 11.7347 11.7347 k = 0.5000 0.2244 0.1507 ( 3382 PWs) bands (ev): -25.9425 -25.9425 -8.7314 -8.7314 -7.6099 -7.6099 -7.5805 -7.5805 -2.0714 -2.0714 -1.5694 -1.5694 5.1633 5.1633 5.9608 5.9608 6.5171 6.5171 6.5810 6.5810 7.1885 7.1885 7.3784 7.3784 7.6898 7.6898 8.8509 8.8509 8.9559 8.9559 9.8044 9.8044 9.8724 9.8724 9.9324 9.9324 10.0170 10.0170 10.5439 10.5439 11.3579 11.3579 11.7990 11.7990 k = 0.5000 0.2244 0.1292 ( 3390 PWs) bands (ev): -25.9428 -25.9428 -8.7301 -8.7301 -7.6098 -7.6098 -7.5774 -7.5774 -2.0807 -2.0807 -1.5782 -1.5782 5.1587 5.1587 5.9680 5.9680 6.5146 6.5146 6.5793 6.5793 7.2324 7.2324 7.3991 7.3991 7.6813 7.6813 8.8322 8.8322 8.9710 8.9710 9.8159 9.8159 9.8833 9.8833 9.9447 9.9447 10.0114 10.0114 10.5335 10.5335 11.3243 11.3243 11.8579 11.8579 k = 0.5000 0.2244 0.1076 ( 3384 PWs) bands (ev): -25.9431 -25.9431 -8.7290 -8.7290 -7.6098 -7.6098 -7.5746 -7.5746 -2.0885 -2.0885 -1.5858 -1.5858 5.1548 5.1548 5.9741 5.9741 6.5126 6.5126 6.5779 6.5779 7.2692 7.2692 7.4191 7.4191 7.6742 7.6742 8.8147 8.8147 8.9837 8.9837 9.8257 9.8257 9.8912 9.8912 9.9562 9.9562 10.0090 10.0090 10.5233 10.5233 11.2959 11.2959 11.9102 11.9102 k = 0.5000 0.2244 0.0861 ( 3382 PWs) bands (ev): -25.9433 -25.9433 -8.7281 -8.7281 -7.6097 -7.6097 -7.5724 -7.5724 -2.0950 -2.0950 -1.5922 -1.5922 5.1517 5.1517 5.9792 5.9792 6.5109 6.5109 6.5768 6.5768 7.2986 7.2986 7.4380 7.4380 7.6684 7.6684 8.7990 8.7990 8.9939 8.9939 9.8335 9.8335 9.8968 9.8968 9.9654 9.9654 10.0097 10.0097 10.5140 10.5140 11.2728 11.2728 11.9540 11.9540 k = 0.5000 0.2244 0.0646 ( 3374 PWs) bands (ev): -25.9435 -25.9435 -8.7274 -8.7274 -7.6097 -7.6097 -7.5706 -7.5706 -2.1000 -2.1000 -1.5971 -1.5971 5.1492 5.1492 5.9832 5.9832 6.5095 6.5095 6.5760 6.5760 7.3206 7.3206 7.4548 7.4548 7.6639 7.6639 8.7859 8.7859 9.0017 9.0017 9.8396 9.8396 9.9006 9.9006 9.9718 9.9718 10.0128 10.0128 10.5059 10.5059 11.2549 11.2549 11.9870 11.9870 k = 0.5000 0.2244 0.0431 ( 3370 PWs) bands (ev): -25.9436 -25.9436 -8.7269 -8.7269 -7.6097 -7.6097 -7.5694 -7.5694 -2.1036 -2.1036 -1.6007 -1.6007 5.1475 5.1475 5.9861 5.9861 6.5086 6.5086 6.5753 6.5753 7.3355 7.3355 7.4681 7.4681 7.6607 7.6607 8.7759 8.7759 9.0072 9.0072 9.8440 9.8440 9.9031 9.9031 9.9755 9.9755 10.0167 10.0167 10.4997 10.4997 11.2422 11.2422 12.0073 12.0073 k = 0.5000 0.2244 0.0215 ( 3370 PWs) bands (ev): -25.9437 -25.9437 -8.7266 -8.7266 -7.6097 -7.6097 -7.5686 -7.5686 -2.1057 -2.1057 -1.6029 -1.6029 5.1465 5.1465 5.9878 5.9878 6.5080 6.5080 6.5750 6.5750 7.3442 7.3442 7.4768 7.4768 7.6588 7.6588 8.7697 8.7697 9.0104 9.0104 9.8466 9.8466 9.9045 9.9045 9.9773 9.9773 10.0198 10.0198 10.4958 10.4958 11.2346 11.2346 12.0160 12.0160 k = 0.5000 0.2244-0.0000 ( 3362 PWs) bands (ev): -25.9437 -25.9437 -8.7265 -8.7265 -7.6096 -7.6096 -7.5683 -7.5683 -2.1064 -2.1064 -1.6036 -1.6036 5.1461 5.1461 5.9884 5.9884 6.5078 6.5078 6.5748 6.5748 7.3470 7.3470 7.4798 7.4798 7.6582 7.6582 8.7675 8.7675 9.0115 9.0115 9.8476 9.8476 9.9050 9.9050 9.9779 9.9779 10.0210 10.0210 10.4944 10.4944 11.2320 11.2320 12.0181 12.0181 k = 0.0000 0.0000 1.2210 ( 3392 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2004 -1.2004 -0.7585 -0.7585 4.5632 4.5632 4.7324 4.7324 6.1108 6.1108 6.4612 6.4612 6.6642 6.6642 7.9036 7.9036 8.1458 8.1458 8.2315 8.2315 8.2703 8.2703 8.5878 8.5878 9.1967 9.1967 9.2965 9.2965 9.5674 9.5674 9.5693 9.5693 10.6859 10.6859 10.6868 10.6868 k = 0.0192 0.0086 1.2210 ( 3392 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2003 -1.2003 -0.7585 -0.7585 4.5637 4.5637 4.7317 4.7317 6.1111 6.1111 6.4620 6.4620 6.6635 6.6635 7.9019 7.9019 8.1472 8.1472 8.2316 8.2316 8.2702 8.2702 8.5878 8.5878 9.1970 9.1970 9.2961 9.2961 9.5674 9.5674 9.5693 9.5693 10.6857 10.6857 10.6869 10.6869 k = 0.0385 0.0173 1.2210 ( 3406 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2003 -1.2003 -0.7585 -0.7585 4.5654 4.5654 4.7296 4.7296 6.1117 6.1117 6.4644 6.4644 6.6615 6.6615 7.8969 7.8969 8.1513 8.1513 8.2321 8.2321 8.2696 8.2696 8.5876 8.5876 9.1981 9.1981 9.2949 9.2949 9.5674 9.5674 9.5692 9.5692 10.6854 10.6854 10.6871 10.6871 k = 0.0577 0.0259 1.2210 ( 3410 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2003 -1.2003 -0.7586 -0.7586 4.5681 4.5681 4.7263 4.7263 6.1127 6.1127 6.4683 6.4683 6.6581 6.6581 7.8892 7.8892 8.1575 8.1575 8.2328 8.2328 8.2689 8.2689 8.5873 8.5873 9.1998 9.1998 9.2930 9.2930 9.5675 9.5675 9.5691 9.5691 10.6850 10.6850 10.6875 10.6875 k = 0.0769 0.0345 1.2210 ( 3408 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2003 -1.2003 -0.7586 -0.7586 4.5718 4.5718 4.7217 4.7217 6.1141 6.1141 6.4738 6.4738 6.6535 6.6535 7.8795 7.8795 8.1652 8.1652 8.2338 8.2338 8.2679 8.2679 8.5870 8.5870 9.2022 9.2022 9.2905 9.2905 9.5676 9.5676 9.5690 9.5690 10.6847 10.6847 10.6879 10.6879 k = 0.0962 0.0432 1.2210 ( 3406 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2002 -1.2002 -0.7586 -0.7586 4.5766 4.5766 4.7159 4.7159 6.1157 6.1157 6.4806 6.4806 6.6476 6.6476 7.8688 7.8688 8.1737 8.1737 8.2351 8.2351 8.2668 8.2668 8.5866 8.5866 9.2052 9.2052 9.2873 9.2873 9.5676 9.5676 9.5690 9.5690 10.6844 10.6844 10.6883 10.6883 k = 0.1154 0.0518 1.2210 ( 3410 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2002 -1.2002 -0.7587 -0.7587 4.5823 4.5823 4.7091 4.7091 6.1174 6.1174 6.4887 6.4887 6.6405 6.6405 7.8575 7.8575 8.1823 8.1823 8.2366 8.2366 8.2654 8.2654 8.5862 8.5862 9.2088 9.2088 9.2835 9.2835 9.5677 9.5677 9.5688 9.5688 10.6842 10.6842 10.6887 10.6887 k = 0.1346 0.0604 1.2210 ( 3410 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2002 -1.2002 -0.7588 -0.7588 4.5888 4.5888 4.7014 4.7014 6.1192 6.1192 6.4979 6.4979 6.6324 6.6324 7.8466 7.8466 8.1906 8.1906 8.2384 8.2384 8.2637 8.2637 8.5858 8.5858 9.2129 9.2129 9.2792 9.2792 9.5678 9.5678 9.5687 9.5687 10.6839 10.6839 10.6890 10.6890 k = 0.1538 0.0691 1.2210 ( 3416 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2001 -1.2001 -0.7588 -0.7588 4.5962 4.5962 4.6930 4.6930 6.1210 6.1210 6.5080 6.5080 6.6233 6.6233 7.8364 7.8364 8.1980 8.1980 8.2403 8.2403 8.2619 8.2619 8.5853 8.5853 9.2175 9.2175 9.2744 9.2744 9.5680 9.5680 9.5684 9.5684 10.6837 10.6837 10.6893 10.6893 k = 0.1731 0.0777 1.2210 ( 3410 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2001 -1.2001 -0.7589 -0.7589 4.6042 4.6042 4.6840 4.6840 6.1226 6.1226 6.5189 6.5189 6.6133 6.6133 7.8276 7.8276 8.2045 8.2045 8.2425 8.2425 8.2601 8.2601 8.5849 8.5849 9.2224 9.2224 9.2692 9.2692 9.5682 9.5682 9.5684 9.5684 10.6836 10.6836 10.6896 10.6896 k = 0.1923 0.0863 1.2210 ( 3424 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2001 -1.2001 -0.7589 -0.7589 4.6126 4.6126 4.6747 4.6747 6.1240 6.1240 6.5304 6.5304 6.6026 6.6026 7.8202 7.8202 8.2096 8.2096 8.2446 8.2446 8.2581 8.2581 8.5845 8.5845 9.2277 9.2277 9.2638 9.2638 9.5682 9.5682 9.5682 9.5682 10.6834 10.6834 10.6898 10.6898 k = 0.2115 0.0949 1.2210 ( 3428 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2001 -1.2001 -0.7589 -0.7589 4.6212 4.6212 4.6654 4.6654 6.1250 6.1250 6.5423 6.5423 6.5913 6.5913 7.8148 7.8148 8.2133 8.2133 8.2469 8.2469 8.2560 8.2560 8.5843 8.5843 9.2332 9.2332 9.2581 9.2581 9.5680 9.5680 9.5683 9.5683 10.6833 10.6833 10.6899 10.6899 k = 0.2308 0.1036 1.2210 ( 3424 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2000 -1.2000 -0.7590 -0.7590 4.6291 4.6291 4.6571 4.6571 6.1257 6.1257 6.5544 6.5544 6.5795 6.5795 7.8115 7.8115 8.2157 8.2157 8.2490 8.2490 8.2541 8.2541 8.5841 8.5841 9.2387 9.2387 9.2527 9.2527 9.5678 9.5678 9.5684 9.5684 10.6833 10.6833 10.6900 10.6900 k = 0.2500 0.1122 1.2210 ( 3420 PWs) bands (ev): -25.9118 -25.9118 -8.8499 -8.8499 -7.8199 -7.8199 -7.5885 -7.5885 -1.2000 -1.2000 -0.7590 -0.7590 4.6329 4.6329 4.6532 4.6532 6.1259 6.1259 6.5655 6.5655 6.5686 6.5686 7.8104 7.8104 8.2164 8.2164 8.2498 8.2498 8.2534 8.2534 8.5840 8.5840 9.2421 9.2421 9.2492 9.2492 9.5677 9.5677 9.5686 9.5686 10.6833 10.6833 10.6901 10.6901 Writing output data file SrxFeAsx2.save init_run : 0.32s CPU 0.44s WALL ( 1 calls) electrons : 203.77s CPU 206.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 203.76s CPU 206.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 350 calls) cegterg : 179.78s CPU 181.70s WALL ( 477 calls) Called by sum_band: Called by *egterg: h_psi : 145.08s CPU 146.57s WALL ( 7331 calls) s_psi : 4.29s CPU 4.25s WALL ( 7331 calls) g_psi : 0.19s CPU 0.19s WALL ( 6504 calls) cdiaghg : 37.74s CPU 38.14s WALL ( 6854 calls) cegterg:over : 4.16s CPU 4.32s WALL ( 6504 calls) cegterg:upda : 3.28s CPU 3.39s WALL ( 6504 calls) cegterg:last : 2.12s CPU 2.09s WALL ( 1399 calls) cdiaghg:chol : 2.08s CPU 2.16s WALL ( 6854 calls) cdiaghg:inve : 1.24s CPU 1.20s WALL ( 6854 calls) cdiaghg:para : 2.32s CPU 2.28s WALL ( 13708 calls) Called by h_psi: h_psi:vloc : 135.46s CPU 136.80s WALL ( 7331 calls) h_psi:vnl : 9.48s CPU 9.59s WALL ( 7331 calls) add_vuspsi : 4.96s CPU 4.96s WALL ( 7331 calls) General routines calbec : 4.47s CPU 4.61s WALL ( 7331 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.33s CPU 128.60s WALL ( 779536 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 700 calls) Parallel routines fft_scatter : 36.26s CPU 36.81s WALL ( 779559 calls) PWSCF : 3m38.02s CPU 4m 2.39s WALL This run was terminated on: 19:54:17 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=