Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:35: 5 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: ./Al3V.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 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 113 33 10 3086 492 81 Max 114 34 11 3088 511 83 Sum 4071 1217 363 111135 18099 2939 bravais-lattice index = 14 lattice parameter (alat) = 9.3449 a.u. unit-cell volume = 401.0034 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.344947 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.708010 celldm(5)= -0.708010 celldm(6)= 0.416020 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.416020 0.909355 0.000000 ) a(3) = ( -0.708010 -0.454678 0.540361 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.457489 0.925308 ) b(2) = ( 0.000000 1.099680 0.925308 ) b(3) = ( 0.000000 0.000000 1.850615 ) PseudoPot. # 1 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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. # 2 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Al 3.00 26.98150 Al( 1.00) V 13.00 50.94150 V( 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= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0000000 0.0156832), wk = 0.0025641 k( 3) = ( 0.0000000 0.0000000 0.0313664), wk = 0.0025641 k( 4) = ( 0.0000000 0.0000000 0.0470495), wk = 0.0025641 k( 5) = ( 0.0000000 0.0000000 0.0627327), wk = 0.0025641 k( 6) = ( 0.0000000 0.0000000 0.0784159), wk = 0.0025641 k( 7) = ( 0.0000000 0.0000000 0.0940991), wk = 0.0025641 k( 8) = ( 0.0000000 0.0000000 0.1097822), wk = 0.0025641 k( 9) = ( 0.0000000 0.0000000 0.1254654), wk = 0.0025641 k( 10) = ( 0.0000000 0.0000000 0.1411486), wk = 0.0025641 k( 11) = ( 0.0000000 0.0000000 0.1568318), wk = 0.0025641 k( 12) = ( 0.0000000 0.0000000 0.1725150), wk = 0.0025641 k( 13) = ( 0.0000000 0.0000000 0.1881982), wk = 0.0025641 k( 14) = ( 0.0000000 0.0000000 0.2038813), wk = 0.0025641 k( 15) = ( 0.0000000 0.0000000 0.2195645), wk = 0.0025641 k( 16) = ( 0.0000000 0.0000000 0.2352477), wk = 0.0025641 k( 17) = ( 0.0000000 0.0000000 0.2509309), wk = 0.0025641 k( 18) = ( 0.0000000 0.0000000 0.2666140), wk = 0.0025641 k( 19) = ( 0.0000000 0.0000000 0.2822972), wk = 0.0025641 k( 20) = ( 0.0000000 0.0000000 0.2979804), wk = 0.0025641 k( 21) = ( 0.0000000 0.0000000 0.3136636), wk = 0.0025641 k( 22) = ( 0.0000000 0.0000000 0.3293467), wk = 0.0025641 k( 23) = ( 0.0000000 0.0000000 0.3450299), wk = 0.0025641 k( 24) = ( 0.0000000 0.0000000 0.3607131), wk = 0.0025641 k( 25) = ( 0.0000000 0.0000000 0.3763963), wk = 0.0025641 k( 26) = ( 0.0000000 0.0000000 0.3920795), wk = 0.0025641 k( 27) = ( 0.0000000 0.0000000 0.4077626), wk = 0.0025641 k( 28) = ( 0.0000000 0.0000000 0.4234458), wk = 0.0025641 k( 29) = ( 0.0000000 0.0000000 0.4391290), wk = 0.0025641 k( 30) = ( 0.0000000 0.0000000 0.4548122), wk = 0.0025641 k( 31) = ( 0.0000000 0.0000000 0.4704954), wk = 0.0025641 k( 32) = ( 0.0000000 0.0000000 0.4861785), wk = 0.0025641 k( 33) = ( 0.0000000 0.0000000 0.5018617), wk = 0.0025641 k( 34) = ( 0.0000000 0.0000000 0.5175449), wk = 0.0025641 k( 35) = ( 0.0000000 0.0000000 0.5332281), wk = 0.0025641 k( 36) = ( 0.0000000 0.0000000 0.5489112), wk = 0.0025641 k( 37) = ( 0.0000000 0.0000000 0.5645944), wk = 0.0025641 k( 38) = ( 0.0000000 0.0000000 0.5802776), wk = 0.0025641 k( 39) = ( 0.0000000 0.0000000 0.5959608), wk = 0.0025641 k( 40) = ( 0.0000000 0.0000000 0.6116440), wk = 0.0025641 k( 41) = ( 0.0000000 0.0000000 0.6273271), wk = 0.0025641 k( 42) = ( 0.0000000 0.0000000 0.6430103), wk = 0.0025641 k( 43) = ( 0.0000000 0.0000000 0.6586935), wk = 0.0025641 k( 44) = ( 0.0000000 0.0000000 0.6743767), wk = 0.0025641 k( 45) = ( 0.0000000 0.0000000 0.6900599), wk = 0.0025641 k( 46) = ( 0.0000000 0.0000000 0.7057430), wk = 0.0025641 k( 47) = ( 0.0000000 0.0000000 0.7214262), wk = 0.0025641 k( 48) = ( 0.0000000 0.0000000 0.7371094), wk = 0.0025641 k( 49) = ( 0.0000000 0.0000000 0.7527926), wk = 0.0025641 k( 50) = ( 0.0000000 0.0000000 0.7684758), wk = 0.0025641 k( 51) = ( 0.0000000 0.0000000 0.7841589), wk = 0.0025641 k( 52) = ( 0.0000000 0.0000000 0.7998421), wk = 0.0025641 k( 53) = ( 0.0000000 0.0000000 0.8155253), wk = 0.0025641 k( 54) = ( 0.0000000 0.0000000 0.8312085), wk = 0.0025641 k( 55) = ( 0.0000000 0.0000000 0.8468916), wk = 0.0025641 k( 56) = ( 0.0000000 0.0000000 0.8625748), wk = 0.0025641 k( 57) = ( 0.0000000 0.0000000 0.8782580), wk = 0.0025641 k( 58) = ( 0.0000000 0.0000000 0.8939412), wk = 0.0025641 k( 59) = ( 0.0000000 0.0000000 0.9096243), wk = 0.0025641 k( 60) = ( 0.0000000 0.0000000 0.9253075), wk = 0.0025641 k( 61) = ( 0.0000000 0.0000000 0.9253075), wk = 0.0025641 k( 62) = ( -0.0079310 0.0123498 0.9253075), wk = 0.0025641 k( 63) = ( -0.0158619 0.0246996 0.9253075), wk = 0.0025641 k( 64) = ( -0.0237928 0.0370495 0.9253075), wk = 0.0025641 k( 65) = ( -0.0317238 0.0493993 0.9253075), wk = 0.0025641 k( 66) = ( -0.0396547 0.0617491 0.9253075), wk = 0.0025641 k( 67) = ( -0.0475857 0.0740990 0.9253075), wk = 0.0025641 k( 68) = ( -0.0555166 0.0864488 0.9253075), wk = 0.0025641 k( 69) = ( -0.0634476 0.0987986 0.9253075), wk = 0.0025641 k( 70) = ( -0.0713785 0.1111484 0.9253075), wk = 0.0025641 k( 71) = ( -0.0793095 0.1234983 0.9253075), wk = 0.0025641 k( 72) = ( -0.0872404 0.1358481 0.9253075), wk = 0.0025641 k( 73) = ( -0.0951714 0.1481979 0.9253075), wk = 0.0025641 k( 74) = ( -0.1031023 0.1605477 0.9253075), wk = 0.0025641 k( 75) = ( -0.1031023 0.1605477 0.9253075), wk = 0.0025641 k( 76) = ( -0.1091159 0.1699119 0.9141787), wk = 0.0025641 k( 77) = ( -0.1151295 0.1792761 0.9030498), wk = 0.0025641 k( 78) = ( -0.1211431 0.1886403 0.8919210), wk = 0.0025641 k( 79) = ( -0.1271567 0.1980045 0.8807921), wk = 0.0025641 k( 80) = ( -0.1331703 0.2073687 0.8696632), wk = 0.0025641 k( 81) = ( -0.1391839 0.2167329 0.8585344), wk = 0.0025641 k( 82) = ( -0.1451975 0.2260971 0.8474055), wk = 0.0025641 k( 83) = ( -0.1512111 0.2354613 0.8362766), wk = 0.0025641 k( 84) = ( -0.1572247 0.2448255 0.8251478), wk = 0.0025641 k( 85) = ( -0.1632383 0.2541897 0.8140189), wk = 0.0025641 k( 86) = ( -0.1692519 0.2635539 0.8028900), wk = 0.0025641 k( 87) = ( -0.1752655 0.2729181 0.7917612), wk = 0.0025641 k( 88) = ( -0.1812791 0.2822823 0.7806323), wk = 0.0025641 k( 89) = ( -0.1872927 0.2916465 0.7695035), wk = 0.0025641 k( 90) = ( -0.1933063 0.3010107 0.7583746), wk = 0.0025641 k( 91) = ( -0.1993199 0.3103749 0.7472458), wk = 0.0025641 k( 92) = ( -0.2053335 0.3197391 0.7361169), wk = 0.0025641 k( 93) = ( -0.2113471 0.3291033 0.7249880), wk = 0.0025641 k( 94) = ( -0.2173607 0.3384674 0.7138592), wk = 0.0025641 k( 95) = ( -0.2233743 0.3478316 0.7027303), wk = 0.0025641 k( 96) = ( -0.2293879 0.3571958 0.6916014), wk = 0.0025641 k( 97) = ( -0.2354015 0.3665600 0.6804726), wk = 0.0025641 k( 98) = ( -0.2414151 0.3759242 0.6693437), wk = 0.0025641 k( 99) = ( -0.2474287 0.3852884 0.6582148), wk = 0.0025641 k( 100) = ( -0.2534423 0.3946526 0.6470860), wk = 0.0025641 k( 101) = ( -0.2594559 0.4040168 0.6359571), wk = 0.0025641 k( 102) = ( -0.2654695 0.4133810 0.6248283), wk = 0.0025641 k( 103) = ( -0.2714831 0.4227452 0.6136994), wk = 0.0025641 k( 104) = ( -0.2774968 0.4321094 0.6025706), wk = 0.0025641 k( 105) = ( -0.2835104 0.4414736 0.5914417), wk = 0.0025641 k( 106) = ( -0.2895239 0.4508378 0.5803128), wk = 0.0025641 k( 107) = ( -0.2955375 0.4602020 0.5691840), wk = 0.0025641 k( 108) = ( -0.3015511 0.4695662 0.5580551), wk = 0.0025641 k( 109) = ( -0.3015511 0.4695662 0.5580551), wk = 0.0025641 k( 110) = ( -0.2956384 0.4603590 0.5471128), wk = 0.0025641 k( 111) = ( -0.2897256 0.4511518 0.5361706), wk = 0.0025641 k( 112) = ( -0.2838129 0.4419446 0.5252283), wk = 0.0025641 k( 113) = ( -0.2779001 0.4327375 0.5142861), wk = 0.0025641 k( 114) = ( -0.2719873 0.4235303 0.5033438), wk = 0.0025641 k( 115) = ( -0.2660746 0.4143231 0.4924016), wk = 0.0025641 k( 116) = ( -0.2601618 0.4051159 0.4814593), wk = 0.0025641 k( 117) = ( -0.2542490 0.3959087 0.4705170), wk = 0.0025641 k( 118) = ( -0.2483362 0.3867016 0.4595748), wk = 0.0025641 k( 119) = ( -0.2424235 0.3774944 0.4486325), wk = 0.0025641 k( 120) = ( -0.2365107 0.3682872 0.4376903), wk = 0.0025641 k( 121) = ( -0.2305979 0.3590800 0.4267480), wk = 0.0025641 k( 122) = ( -0.2246852 0.3498728 0.4158058), wk = 0.0025641 k( 123) = ( -0.2187724 0.3406657 0.4048635), wk = 0.0025641 k( 124) = ( -0.2128596 0.3314585 0.3939213), wk = 0.0025641 k( 125) = ( -0.2069469 0.3222513 0.3829790), wk = 0.0025641 k( 126) = ( -0.2010341 0.3130441 0.3720367), wk = 0.0025641 k( 127) = ( -0.1951213 0.3038369 0.3610945), wk = 0.0025641 k( 128) = ( -0.1892086 0.2946298 0.3501522), wk = 0.0025641 k( 129) = ( -0.1832958 0.2854226 0.3392100), wk = 0.0025641 k( 130) = ( -0.1773830 0.2762154 0.3282677), wk = 0.0025641 k( 131) = ( -0.1714703 0.2670082 0.3173254), wk = 0.0025641 k( 132) = ( -0.1655575 0.2578010 0.3063832), wk = 0.0025641 k( 133) = ( -0.1596447 0.2485939 0.2954409), wk = 0.0025641 k( 134) = ( -0.1537320 0.2393867 0.2844987), wk = 0.0025641 k( 135) = ( -0.1478192 0.2301795 0.2735564), wk = 0.0025641 k( 136) = ( -0.1419064 0.2209723 0.2626142), wk = 0.0025641 k( 137) = ( -0.1359937 0.2117651 0.2516719), wk = 0.0025641 k( 138) = ( -0.1300809 0.2025580 0.2407297), wk = 0.0025641 k( 139) = ( -0.1241681 0.1933508 0.2297874), wk = 0.0025641 k( 140) = ( -0.1182553 0.1841436 0.2188451), wk = 0.0025641 k( 141) = ( -0.1123426 0.1749364 0.2079029), wk = 0.0025641 k( 142) = ( -0.1064298 0.1657292 0.1969606), wk = 0.0025641 k( 143) = ( -0.1005170 0.1565221 0.1860184), wk = 0.0025641 k( 144) = ( -0.0946043 0.1473149 0.1750761), wk = 0.0025641 k( 145) = ( -0.0886915 0.1381077 0.1641339), wk = 0.0025641 k( 146) = ( -0.0827787 0.1289005 0.1531916), wk = 0.0025641 k( 147) = ( -0.0768660 0.1196933 0.1422493), wk = 0.0025641 k( 148) = ( -0.0709532 0.1104862 0.1313071), wk = 0.0025641 k( 149) = ( -0.0650404 0.1012790 0.1203648), wk = 0.0025641 k( 150) = ( -0.0591277 0.0920718 0.1094226), wk = 0.0025641 k( 151) = ( -0.0532149 0.0828646 0.0984803), wk = 0.0025641 k( 152) = ( -0.0473021 0.0736574 0.0875381), wk = 0.0025641 k( 153) = ( -0.0413894 0.0644503 0.0765958), wk = 0.0025641 k( 154) = ( -0.0354766 0.0552431 0.0656535), wk = 0.0025641 k( 155) = ( -0.0295638 0.0460359 0.0547113), wk = 0.0025641 k( 156) = ( -0.0236511 0.0368287 0.0437690), wk = 0.0025641 k( 157) = ( -0.0177383 0.0276215 0.0328268), wk = 0.0025641 k( 158) = ( -0.0118255 0.0184144 0.0218845), wk = 0.0025641 k( 159) = ( -0.0059128 0.0092072 0.0109423), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 162) = ( 0.0131579 0.0084499 -0.0000000), wk = 0.0025641 k( 163) = ( 0.0263158 0.0168998 -0.0000000), wk = 0.0025641 k( 164) = ( 0.0394737 0.0253496 -0.0000000), wk = 0.0025641 k( 165) = ( 0.0526316 0.0337995 -0.0000000), wk = 0.0025641 k( 166) = ( 0.0657895 0.0422494 -0.0000000), wk = 0.0025641 k( 167) = ( 0.0789474 0.0506993 -0.0000000), wk = 0.0025641 k( 168) = ( 0.0921053 0.0591492 -0.0000000), wk = 0.0025641 k( 169) = ( 0.1052632 0.0675990 -0.0000000), wk = 0.0025641 k( 170) = ( 0.1184210 0.0760489 -0.0000000), wk = 0.0025641 k( 171) = ( 0.1315790 0.0844988 -0.0000000), wk = 0.0025641 k( 172) = ( 0.1447368 0.0929487 -0.0000000), wk = 0.0025641 k( 173) = ( 0.1578947 0.1013986 -0.0000000), wk = 0.0025641 k( 174) = ( 0.1710526 0.1098485 -0.0000000), wk = 0.0025641 k( 175) = ( 0.1842105 0.1182983 -0.0000000), wk = 0.0025641 k( 176) = ( 0.1973684 0.1267482 -0.0000000), wk = 0.0025641 k( 177) = ( 0.2105263 0.1351981 -0.0000000), wk = 0.0025641 k( 178) = ( 0.2236842 0.1436480 -0.0000000), wk = 0.0025641 k( 179) = ( 0.2368421 0.1520979 -0.0000000), wk = 0.0025641 k( 180) = ( 0.2500000 0.1605477 -0.0000000), wk = 0.0025641 k( 181) = ( 0.2631579 0.1689976 -0.0000000), wk = 0.0025641 k( 182) = ( 0.2763158 0.1774475 -0.0000000), wk = 0.0025641 k( 183) = ( 0.2894737 0.1858974 -0.0000000), wk = 0.0025641 k( 184) = ( 0.3026316 0.1943473 -0.0000000), wk = 0.0025641 k( 185) = ( 0.3157895 0.2027971 -0.0000000), wk = 0.0025641 k( 186) = ( 0.3289474 0.2112470 -0.0000000), wk = 0.0025641 k( 187) = ( 0.3421053 0.2196969 -0.0000000), wk = 0.0025641 k( 188) = ( 0.3552632 0.2281468 -0.0000000), wk = 0.0025641 k( 189) = ( 0.3684211 0.2365967 -0.0000000), wk = 0.0025641 k( 190) = ( 0.3815789 0.2450465 -0.0000000), wk = 0.0025641 k( 191) = ( 0.3947368 0.2534964 -0.0000000), wk = 0.0025641 k( 192) = ( 0.4078947 0.2619463 -0.0000000), wk = 0.0025641 k( 193) = ( 0.4210526 0.2703962 -0.0000000), wk = 0.0025641 k( 194) = ( 0.4342105 0.2788461 -0.0000000), wk = 0.0025641 k( 195) = ( 0.4473684 0.2872959 -0.0000000), wk = 0.0025641 k( 196) = ( 0.4605263 0.2957458 -0.0000000), wk = 0.0025641 k( 197) = ( 0.4736842 0.3041957 -0.0000000), wk = 0.0025641 k( 198) = ( 0.4868421 0.3126456 -0.0000000), wk = 0.0025641 k( 199) = ( 0.5000000 0.3210955 -0.0000000), wk = 0.0025641 k( 200) = ( 0.5000000 0.3210955 -0.0000000), wk = 0.0025641 k( 201) = ( 0.4939864 0.3304597 0.0111289), wk = 0.0025641 k( 202) = ( 0.4879728 0.3398239 0.0222577), wk = 0.0025641 k( 203) = ( 0.4819592 0.3491881 0.0333866), wk = 0.0025641 k( 204) = ( 0.4759456 0.3585523 0.0445155), wk = 0.0025641 k( 205) = ( 0.4699320 0.3679165 0.0556443), wk = 0.0025641 k( 206) = ( 0.4639184 0.3772806 0.0667732), wk = 0.0025641 k( 207) = ( 0.4579048 0.3866448 0.0779020), wk = 0.0025641 k( 208) = ( 0.4518912 0.3960090 0.0890309), wk = 0.0025641 k( 209) = ( 0.4458776 0.4053732 0.1001597), wk = 0.0025641 k( 210) = ( 0.4398640 0.4147374 0.1112886), wk = 0.0025641 k( 211) = ( 0.4338504 0.4241016 0.1224175), wk = 0.0025641 k( 212) = ( 0.4278368 0.4334658 0.1335463), wk = 0.0025641 k( 213) = ( 0.4218232 0.4428300 0.1446752), wk = 0.0025641 k( 214) = ( 0.4158096 0.4521942 0.1558041), wk = 0.0025641 k( 215) = ( 0.4097960 0.4615584 0.1669329), wk = 0.0025641 k( 216) = ( 0.4037824 0.4709226 0.1780618), wk = 0.0025641 k( 217) = ( 0.3977688 0.4802868 0.1891907), wk = 0.0025641 k( 218) = ( 0.3917552 0.4896510 0.2003195), wk = 0.0025641 k( 219) = ( 0.3857416 0.4990152 0.2114484), wk = 0.0025641 k( 220) = ( 0.3797280 0.5083794 0.2225772), wk = 0.0025641 k( 221) = ( 0.3737144 0.5177436 0.2337061), wk = 0.0025641 k( 222) = ( 0.3677008 0.5271078 0.2448349), wk = 0.0025641 k( 223) = ( 0.3616872 0.5364720 0.2559638), wk = 0.0025641 k( 224) = ( 0.3556736 0.5458362 0.2670927), wk = 0.0025641 k( 225) = ( 0.3496600 0.5552004 0.2782215), wk = 0.0025641 k( 226) = ( 0.3436464 0.5645646 0.2893504), wk = 0.0025641 k( 227) = ( 0.3376328 0.5739287 0.3004793), wk = 0.0025641 k( 228) = ( 0.3316192 0.5832929 0.3116081), wk = 0.0025641 k( 229) = ( 0.3256056 0.5926571 0.3227370), wk = 0.0025641 k( 230) = ( 0.3195920 0.6020213 0.3338658), wk = 0.0025641 k( 231) = ( 0.3135784 0.6113855 0.3449947), wk = 0.0025641 k( 232) = ( 0.3075647 0.6207497 0.3561236), wk = 0.0025641 k( 233) = ( 0.3015511 0.6301139 0.3672524), wk = 0.0025641 k( 234) = ( 0.3015511 0.6301139 0.3672524), wk = 0.0025641 k( 235) = ( 0.2871916 0.6262914 0.3717953), wk = 0.0025641 k( 236) = ( 0.2728320 0.6224688 0.3763383), wk = 0.0025641 k( 237) = ( 0.2584724 0.6186462 0.3808812), wk = 0.0025641 k( 238) = ( 0.2441128 0.6148237 0.3854241), wk = 0.0025641 k( 239) = ( 0.2297533 0.6110011 0.3899670), wk = 0.0025641 k( 240) = ( 0.2153937 0.6071785 0.3945100), wk = 0.0025641 k( 241) = ( 0.2010341 0.6033560 0.3990529), wk = 0.0025641 k( 242) = ( 0.1866745 0.5995334 0.4035958), wk = 0.0025641 k( 243) = ( 0.1723149 0.5957108 0.4081387), wk = 0.0025641 k( 244) = ( 0.1579554 0.5918883 0.4126816), wk = 0.0025641 k( 245) = ( 0.1435958 0.5880657 0.4172246), wk = 0.0025641 k( 246) = ( 0.1292362 0.5842431 0.4217675), wk = 0.0025641 k( 247) = ( 0.1148766 0.5804206 0.4263104), wk = 0.0025641 k( 248) = ( 0.1005170 0.5765980 0.4308533), wk = 0.0025641 k( 249) = ( 0.0861575 0.5727754 0.4353962), wk = 0.0025641 k( 250) = ( 0.0717979 0.5689529 0.4399392), wk = 0.0025641 k( 251) = ( 0.0574383 0.5651303 0.4444821), wk = 0.0025641 k( 252) = ( 0.0430787 0.5613077 0.4490250), wk = 0.0025641 k( 253) = ( 0.0287192 0.5574852 0.4535679), wk = 0.0025641 k( 254) = ( 0.0143596 0.5536626 0.4581108), wk = 0.0025641 k( 255) = ( 0.0000000 0.5498401 0.4626538), wk = 0.0025641 k( 256) = ( 0.0000000 0.5498401 0.4626538), wk = 0.0025641 k( 257) = ( 0.0059524 0.5405712 0.4736693), wk = 0.0025641 k( 258) = ( 0.0119048 0.5313023 0.4846849), wk = 0.0025641 k( 259) = ( 0.0178571 0.5220335 0.4957005), wk = 0.0025641 k( 260) = ( 0.0238095 0.5127646 0.5067160), wk = 0.0025641 k( 261) = ( 0.0297619 0.5034957 0.5177316), wk = 0.0025641 k( 262) = ( 0.0357143 0.4942269 0.5287472), wk = 0.0025641 k( 263) = ( 0.0416667 0.4849580 0.5397627), wk = 0.0025641 k( 264) = ( 0.0476191 0.4756891 0.5507783), wk = 0.0025641 k( 265) = ( 0.0535714 0.4664203 0.5617939), wk = 0.0025641 k( 266) = ( 0.0595238 0.4571514 0.5728094), wk = 0.0025641 k( 267) = ( 0.0654762 0.4478825 0.5838250), wk = 0.0025641 k( 268) = ( 0.0714286 0.4386137 0.5948406), wk = 0.0025641 k( 269) = ( 0.0773810 0.4293448 0.6058561), wk = 0.0025641 k( 270) = ( 0.0833333 0.4200760 0.6168717), wk = 0.0025641 k( 271) = ( 0.0892857 0.4108071 0.6278872), wk = 0.0025641 k( 272) = ( 0.0952381 0.4015382 0.6389028), wk = 0.0025641 k( 273) = ( 0.1011905 0.3922693 0.6499184), wk = 0.0025641 k( 274) = ( 0.1071429 0.3830005 0.6609340), wk = 0.0025641 k( 275) = ( 0.1130952 0.3737316 0.6719495), wk = 0.0025641 k( 276) = ( 0.1190476 0.3644628 0.6829651), wk = 0.0025641 k( 277) = ( 0.1250000 0.3551939 0.6939806), wk = 0.0025641 k( 278) = ( 0.1309524 0.3459250 0.7049962), wk = 0.0025641 k( 279) = ( 0.1369048 0.3366562 0.7160118), wk = 0.0025641 k( 280) = ( 0.1428571 0.3273873 0.7270273), wk = 0.0025641 k( 281) = ( 0.1488095 0.3181184 0.7380429), wk = 0.0025641 k( 282) = ( 0.1547619 0.3088496 0.7490585), wk = 0.0025641 k( 283) = ( 0.1607143 0.2995807 0.7600741), wk = 0.0025641 k( 284) = ( 0.1666667 0.2903118 0.7710896), wk = 0.0025641 k( 285) = ( 0.1726190 0.2810430 0.7821052), wk = 0.0025641 k( 286) = ( 0.1785714 0.2717741 0.7931207), wk = 0.0025641 k( 287) = ( 0.1845238 0.2625052 0.8041363), wk = 0.0025641 k( 288) = ( 0.1904762 0.2532364 0.8151519), wk = 0.0025641 k( 289) = ( 0.1964286 0.2439675 0.8261674), wk = 0.0025641 k( 290) = ( 0.2023810 0.2346987 0.8371830), wk = 0.0025641 k( 291) = ( 0.2083333 0.2254298 0.8481986), wk = 0.0025641 k( 292) = ( 0.2142857 0.2161609 0.8592141), wk = 0.0025641 k( 293) = ( 0.2202381 0.2068921 0.8702297), wk = 0.0025641 k( 294) = ( 0.2261905 0.1976232 0.8812453), wk = 0.0025641 k( 295) = ( 0.2321429 0.1883543 0.8922608), wk = 0.0025641 k( 296) = ( 0.2380952 0.1790855 0.9032764), wk = 0.0025641 k( 297) = ( 0.2440476 0.1698166 0.9142920), wk = 0.0025641 k( 298) = ( 0.2500000 0.1605477 0.9253075), wk = 0.0025641 k( 299) = ( 0.2500000 0.1605477 0.9253075), wk = 0.0025641 k( 300) = ( 0.2608696 0.1675281 0.9170118), wk = 0.0025641 k( 301) = ( 0.2717391 0.1745084 0.9087160), wk = 0.0025641 k( 302) = ( 0.2826087 0.1814887 0.9004202), wk = 0.0025641 k( 303) = ( 0.2934783 0.1884691 0.8921244), wk = 0.0025641 k( 304) = ( 0.3043478 0.1954494 0.8838287), wk = 0.0025641 k( 305) = ( 0.3152174 0.2024298 0.8755329), wk = 0.0025641 k( 306) = ( 0.3260870 0.2094101 0.8672372), wk = 0.0025641 k( 307) = ( 0.3369565 0.2163904 0.8589414), wk = 0.0025641 k( 308) = ( 0.3478261 0.2233708 0.8506456), wk = 0.0025641 k( 309) = ( 0.3586956 0.2303511 0.8423498), wk = 0.0025641 k( 310) = ( 0.3695652 0.2373314 0.8340541), wk = 0.0025641 k( 311) = ( 0.3804348 0.2443118 0.8257583), wk = 0.0025641 k( 312) = ( 0.3913044 0.2512921 0.8174625), wk = 0.0025641 k( 313) = ( 0.4021739 0.2582724 0.8091668), wk = 0.0025641 k( 314) = ( 0.4130435 0.2652528 0.8008710), wk = 0.0025641 k( 315) = ( 0.4239130 0.2722331 0.7925752), wk = 0.0025641 k( 316) = ( 0.4347826 0.2792135 0.7842795), wk = 0.0025641 k( 317) = ( 0.4456522 0.2861938 0.7759837), wk = 0.0025641 k( 318) = ( 0.4565217 0.2931741 0.7676879), wk = 0.0025641 k( 319) = ( 0.4673913 0.3001545 0.7593922), wk = 0.0025641 k( 320) = ( 0.4782609 0.3071348 0.7510964), wk = 0.0025641 k( 321) = ( 0.4891304 0.3141151 0.7428006), wk = 0.0025641 k( 322) = ( 0.5000000 0.3210955 0.7345049), wk = 0.0025641 k( 323) = ( 0.5000000 0.3210955 0.7345049), wk = 0.0025641 k( 324) = ( 0.5000000 0.3210955 0.7188771), wk = 0.0025641 k( 325) = ( 0.5000000 0.3210955 0.7032493), wk = 0.0025641 k( 326) = ( 0.5000000 0.3210955 0.6876216), wk = 0.0025641 k( 327) = ( 0.5000000 0.3210955 0.6719938), wk = 0.0025641 k( 328) = ( 0.5000000 0.3210955 0.6563660), wk = 0.0025641 k( 329) = ( 0.5000000 0.3210955 0.6407383), wk = 0.0025641 k( 330) = ( 0.5000000 0.3210955 0.6251105), wk = 0.0025641 k( 331) = ( 0.5000000 0.3210955 0.6094827), wk = 0.0025641 k( 332) = ( 0.5000000 0.3210955 0.5938550), wk = 0.0025641 k( 333) = ( 0.5000000 0.3210955 0.5782272), wk = 0.0025641 k( 334) = ( 0.5000000 0.3210955 0.5625995), wk = 0.0025641 k( 335) = ( 0.5000000 0.3210955 0.5469717), wk = 0.0025641 k( 336) = ( 0.5000000 0.3210955 0.5313439), wk = 0.0025641 k( 337) = ( 0.5000000 0.3210955 0.5157162), wk = 0.0025641 k( 338) = ( 0.5000000 0.3210955 0.5000884), wk = 0.0025641 k( 339) = ( 0.5000000 0.3210955 0.4844607), wk = 0.0025641 k( 340) = ( 0.5000000 0.3210955 0.4688329), wk = 0.0025641 k( 341) = ( 0.5000000 0.3210955 0.4532051), wk = 0.0025641 k( 342) = ( 0.5000000 0.3210955 0.4375774), wk = 0.0025641 k( 343) = ( 0.5000000 0.3210955 0.4219496), wk = 0.0025641 k( 344) = ( 0.5000000 0.3210955 0.4063218), wk = 0.0025641 k( 345) = ( 0.5000000 0.3210955 0.3906941), wk = 0.0025641 k( 346) = ( 0.5000000 0.3210955 0.3750663), wk = 0.0025641 k( 347) = ( 0.5000000 0.3210955 0.3594385), wk = 0.0025641 k( 348) = ( 0.5000000 0.3210955 0.3438108), wk = 0.0025641 k( 349) = ( 0.5000000 0.3210955 0.3281830), wk = 0.0025641 k( 350) = ( 0.5000000 0.3210955 0.3125553), wk = 0.0025641 k( 351) = ( 0.5000000 0.3210955 0.2969275), wk = 0.0025641 k( 352) = ( 0.5000000 0.3210955 0.2812997), wk = 0.0025641 k( 353) = ( 0.5000000 0.3210955 0.2656720), wk = 0.0025641 k( 354) = ( 0.5000000 0.3210955 0.2500442), wk = 0.0025641 k( 355) = ( 0.5000000 0.3210955 0.2344164), wk = 0.0025641 k( 356) = ( 0.5000000 0.3210955 0.2187887), wk = 0.0025641 k( 357) = ( 0.5000000 0.3210955 0.2031609), wk = 0.0025641 k( 358) = ( 0.5000000 0.3210955 0.1875332), wk = 0.0025641 k( 359) = ( 0.5000000 0.3210955 0.1719054), wk = 0.0025641 k( 360) = ( 0.5000000 0.3210955 0.1562776), wk = 0.0025641 k( 361) = ( 0.5000000 0.3210955 0.1406499), wk = 0.0025641 k( 362) = ( 0.5000000 0.3210955 0.1250221), wk = 0.0025641 k( 363) = ( 0.5000000 0.3210955 0.1093943), wk = 0.0025641 k( 364) = ( 0.5000000 0.3210955 0.0937666), wk = 0.0025641 k( 365) = ( 0.5000000 0.3210955 0.0781388), wk = 0.0025641 k( 366) = ( 0.5000000 0.3210955 0.0625111), wk = 0.0025641 k( 367) = ( 0.5000000 0.3210955 0.0468833), wk = 0.0025641 k( 368) = ( 0.5000000 0.3210955 0.0312555), wk = 0.0025641 k( 369) = ( 0.5000000 0.3210955 0.0156278), wk = 0.0025641 k( 370) = ( 0.5000000 0.3210955 -0.0000000), wk = 0.0025641 k( 371) = ( 0.0000000 0.0000000 0.9253075), wk = 0.0025641 k( 372) = ( 0.0131579 0.0084499 0.9253075), wk = 0.0025641 k( 373) = ( 0.0263158 0.0168998 0.9253075), wk = 0.0025641 k( 374) = ( 0.0394737 0.0253496 0.9253075), wk = 0.0025641 k( 375) = ( 0.0526316 0.0337995 0.9253075), wk = 0.0025641 k( 376) = ( 0.0657895 0.0422494 0.9253075), wk = 0.0025641 k( 377) = ( 0.0789474 0.0506993 0.9253075), wk = 0.0025641 k( 378) = ( 0.0921053 0.0591492 0.9253075), wk = 0.0025641 k( 379) = ( 0.1052632 0.0675990 0.9253075), wk = 0.0025641 k( 380) = ( 0.1184210 0.0760489 0.9253075), wk = 0.0025641 k( 381) = ( 0.1315790 0.0844988 0.9253075), wk = 0.0025641 k( 382) = ( 0.1447368 0.0929487 0.9253075), wk = 0.0025641 k( 383) = ( 0.1578947 0.1013986 0.9253075), wk = 0.0025641 k( 384) = ( 0.1710526 0.1098485 0.9253075), wk = 0.0025641 k( 385) = ( 0.1842105 0.1182983 0.9253075), wk = 0.0025641 k( 386) = ( 0.1973684 0.1267482 0.9253075), wk = 0.0025641 k( 387) = ( 0.2105263 0.1351981 0.9253075), wk = 0.0025641 k( 388) = ( 0.2236842 0.1436480 0.9253075), wk = 0.0025641 k( 389) = ( 0.2368421 0.1520979 0.9253075), wk = 0.0025641 k( 390) = ( 0.2500000 0.1605477 0.9253075), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0000000 0.0000000 0.0084746), wk = 0.0025641 k( 3) = ( 0.0000000 0.0000000 0.0169491), wk = 0.0025641 k( 4) = ( 0.0000000 0.0000000 0.0254237), wk = 0.0025641 k( 5) = ( 0.0000000 0.0000000 0.0338983), wk = 0.0025641 k( 6) = ( 0.0000000 0.0000000 0.0423729), wk = 0.0025641 k( 7) = ( 0.0000000 0.0000000 0.0508475), wk = 0.0025641 k( 8) = ( 0.0000000 0.0000000 0.0593220), wk = 0.0025641 k( 9) = ( 0.0000000 0.0000000 0.0677966), wk = 0.0025641 k( 10) = ( 0.0000000 0.0000000 0.0762712), wk = 0.0025641 k( 11) = ( 0.0000000 0.0000000 0.0847458), wk = 0.0025641 k( 12) = ( 0.0000000 0.0000000 0.0932203), wk = 0.0025641 k( 13) = ( 0.0000000 0.0000000 0.1016949), wk = 0.0025641 k( 14) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0025641 k( 15) = ( 0.0000000 0.0000000 0.1186441), wk = 0.0025641 k( 16) = ( 0.0000000 0.0000000 0.1271186), wk = 0.0025641 k( 17) = ( 0.0000000 0.0000000 0.1355932), wk = 0.0025641 k( 18) = ( 0.0000000 0.0000000 0.1440678), wk = 0.0025641 k( 19) = ( 0.0000000 0.0000000 0.1525424), wk = 0.0025641 k( 20) = ( 0.0000000 0.0000000 0.1610169), wk = 0.0025641 k( 21) = ( 0.0000000 0.0000000 0.1694915), wk = 0.0025641 k( 22) = ( 0.0000000 0.0000000 0.1779661), wk = 0.0025641 k( 23) = ( 0.0000000 0.0000000 0.1864407), wk = 0.0025641 k( 24) = ( 0.0000000 0.0000000 0.1949153), wk = 0.0025641 k( 25) = ( 0.0000000 0.0000000 0.2033898), wk = 0.0025641 k( 26) = ( 0.0000000 0.0000000 0.2118644), wk = 0.0025641 k( 27) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0025641 k( 28) = ( 0.0000000 0.0000000 0.2288136), wk = 0.0025641 k( 29) = ( 0.0000000 0.0000000 0.2372881), wk = 0.0025641 k( 30) = ( 0.0000000 0.0000000 0.2457627), wk = 0.0025641 k( 31) = ( 0.0000000 0.0000000 0.2542373), wk = 0.0025641 k( 32) = ( 0.0000000 0.0000000 0.2627119), wk = 0.0025641 k( 33) = ( 0.0000000 0.0000000 0.2711864), wk = 0.0025641 k( 34) = ( 0.0000000 0.0000000 0.2796610), wk = 0.0025641 k( 35) = ( 0.0000000 0.0000000 0.2881356), wk = 0.0025641 k( 36) = ( 0.0000000 0.0000000 0.2966102), wk = 0.0025641 k( 37) = ( 0.0000000 0.0000000 0.3050848), wk = 0.0025641 k( 38) = ( 0.0000000 0.0000000 0.3135593), wk = 0.0025641 k( 39) = ( 0.0000000 0.0000000 0.3220339), wk = 0.0025641 k( 40) = ( 0.0000000 0.0000000 0.3305085), wk = 0.0025641 k( 41) = ( 0.0000000 0.0000000 0.3389831), wk = 0.0025641 k( 42) = ( 0.0000000 0.0000000 0.3474576), wk = 0.0025641 k( 43) = ( 0.0000000 0.0000000 0.3559322), wk = 0.0025641 k( 44) = ( 0.0000000 0.0000000 0.3644068), wk = 0.0025641 k( 45) = ( 0.0000000 0.0000000 0.3728814), wk = 0.0025641 k( 46) = ( 0.0000000 0.0000000 0.3813559), wk = 0.0025641 k( 47) = ( 0.0000000 0.0000000 0.3898305), wk = 0.0025641 k( 48) = ( 0.0000000 0.0000000 0.3983051), wk = 0.0025641 k( 49) = ( 0.0000000 0.0000000 0.4067797), wk = 0.0025641 k( 50) = ( 0.0000000 0.0000000 0.4152542), wk = 0.0025641 k( 51) = ( 0.0000000 0.0000000 0.4237288), wk = 0.0025641 k( 52) = ( 0.0000000 0.0000000 0.4322034), wk = 0.0025641 k( 53) = ( 0.0000000 0.0000000 0.4406780), wk = 0.0025641 k( 54) = ( 0.0000000 0.0000000 0.4491525), wk = 0.0025641 k( 55) = ( 0.0000000 0.0000000 0.4576271), wk = 0.0025641 k( 56) = ( 0.0000000 0.0000000 0.4661017), wk = 0.0025641 k( 57) = ( 0.0000000 0.0000000 0.4745763), wk = 0.0025641 k( 58) = ( 0.0000000 0.0000000 0.4830508), wk = 0.0025641 k( 59) = ( 0.0000000 0.0000000 0.4915254), wk = 0.0025641 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 62) = ( -0.0079310 0.0079310 0.5000000), wk = 0.0025641 k( 63) = ( -0.0158619 0.0158619 0.5000000), wk = 0.0025641 k( 64) = ( -0.0237928 0.0237928 0.5000000), wk = 0.0025641 k( 65) = ( -0.0317238 0.0317238 0.5000000), wk = 0.0025641 k( 66) = ( -0.0396547 0.0396547 0.5000000), wk = 0.0025641 k( 67) = ( -0.0475857 0.0475857 0.5000000), wk = 0.0025641 k( 68) = ( -0.0555166 0.0555166 0.5000000), wk = 0.0025641 k( 69) = ( -0.0634476 0.0634476 0.5000000), wk = 0.0025641 k( 70) = ( -0.0713785 0.0713785 0.5000000), wk = 0.0025641 k( 71) = ( -0.0793095 0.0793095 0.5000000), wk = 0.0025641 k( 72) = ( -0.0872404 0.0872404 0.5000000), wk = 0.0025641 k( 73) = ( -0.0951714 0.0951714 0.5000000), wk = 0.0025641 k( 74) = ( -0.1031023 0.1031023 0.5000000), wk = 0.0025641 k( 75) = ( -0.1031023 0.1031023 0.5000000), wk = 0.0025641 k( 76) = ( -0.1091159 0.1091159 0.4939864), wk = 0.0025641 k( 77) = ( -0.1151295 0.1151295 0.4879728), wk = 0.0025641 k( 78) = ( -0.1211431 0.1211431 0.4819592), wk = 0.0025641 k( 79) = ( -0.1271567 0.1271567 0.4759456), wk = 0.0025641 k( 80) = ( -0.1331703 0.1331703 0.4699320), wk = 0.0025641 k( 81) = ( -0.1391839 0.1391839 0.4639184), wk = 0.0025641 k( 82) = ( -0.1451975 0.1451975 0.4579048), wk = 0.0025641 k( 83) = ( -0.1512111 0.1512111 0.4518912), wk = 0.0025641 k( 84) = ( -0.1572247 0.1572247 0.4458776), wk = 0.0025641 k( 85) = ( -0.1632383 0.1632383 0.4398640), wk = 0.0025641 k( 86) = ( -0.1692519 0.1692519 0.4338504), wk = 0.0025641 k( 87) = ( -0.1752655 0.1752655 0.4278368), wk = 0.0025641 k( 88) = ( -0.1812791 0.1812791 0.4218232), wk = 0.0025641 k( 89) = ( -0.1872927 0.1872927 0.4158096), wk = 0.0025641 k( 90) = ( -0.1933063 0.1933063 0.4097960), wk = 0.0025641 k( 91) = ( -0.1993199 0.1993199 0.4037824), wk = 0.0025641 k( 92) = ( -0.2053335 0.2053335 0.3977688), wk = 0.0025641 k( 93) = ( -0.2113471 0.2113471 0.3917552), wk = 0.0025641 k( 94) = ( -0.2173607 0.2173607 0.3857416), wk = 0.0025641 k( 95) = ( -0.2233743 0.2233743 0.3797280), wk = 0.0025641 k( 96) = ( -0.2293879 0.2293879 0.3737144), wk = 0.0025641 k( 97) = ( -0.2354015 0.2354015 0.3677008), wk = 0.0025641 k( 98) = ( -0.2414151 0.2414151 0.3616872), wk = 0.0025641 k( 99) = ( -0.2474287 0.2474287 0.3556736), wk = 0.0025641 k( 100) = ( -0.2534423 0.2534423 0.3496600), wk = 0.0025641 k( 101) = ( -0.2594559 0.2594559 0.3436464), wk = 0.0025641 k( 102) = ( -0.2654695 0.2654695 0.3376328), wk = 0.0025641 k( 103) = ( -0.2714831 0.2714831 0.3316192), wk = 0.0025641 k( 104) = ( -0.2774968 0.2774968 0.3256056), wk = 0.0025641 k( 105) = ( -0.2835104 0.2835104 0.3195920), wk = 0.0025641 k( 106) = ( -0.2895239 0.2895239 0.3135784), wk = 0.0025641 k( 107) = ( -0.2955375 0.2955375 0.3075647), wk = 0.0025641 k( 108) = ( -0.3015511 0.3015511 0.3015511), wk = 0.0025641 k( 109) = ( -0.3015511 0.3015511 0.3015511), wk = 0.0025641 k( 110) = ( -0.2956384 0.2956384 0.2956384), wk = 0.0025641 k( 111) = ( -0.2897256 0.2897256 0.2897256), wk = 0.0025641 k( 112) = ( -0.2838129 0.2838129 0.2838129), wk = 0.0025641 k( 113) = ( -0.2779001 0.2779001 0.2779001), wk = 0.0025641 k( 114) = ( -0.2719873 0.2719873 0.2719873), wk = 0.0025641 k( 115) = ( -0.2660746 0.2660745 0.2660746), wk = 0.0025641 k( 116) = ( -0.2601618 0.2601618 0.2601618), wk = 0.0025641 k( 117) = ( -0.2542490 0.2542490 0.2542490), wk = 0.0025641 k( 118) = ( -0.2483362 0.2483362 0.2483362), wk = 0.0025641 k( 119) = ( -0.2424235 0.2424235 0.2424235), wk = 0.0025641 k( 120) = ( -0.2365107 0.2365107 0.2365107), wk = 0.0025641 k( 121) = ( -0.2305979 0.2305979 0.2305979), wk = 0.0025641 k( 122) = ( -0.2246852 0.2246852 0.2246852), wk = 0.0025641 k( 123) = ( -0.2187724 0.2187724 0.2187724), wk = 0.0025641 k( 124) = ( -0.2128596 0.2128596 0.2128596), wk = 0.0025641 k( 125) = ( -0.2069469 0.2069469 0.2069469), wk = 0.0025641 k( 126) = ( -0.2010341 0.2010341 0.2010341), wk = 0.0025641 k( 127) = ( -0.1951213 0.1951213 0.1951213), wk = 0.0025641 k( 128) = ( -0.1892086 0.1892086 0.1892086), wk = 0.0025641 k( 129) = ( -0.1832958 0.1832958 0.1832958), wk = 0.0025641 k( 130) = ( -0.1773830 0.1773830 0.1773830), wk = 0.0025641 k( 131) = ( -0.1714703 0.1714703 0.1714703), wk = 0.0025641 k( 132) = ( -0.1655575 0.1655575 0.1655575), wk = 0.0025641 k( 133) = ( -0.1596447 0.1596447 0.1596447), wk = 0.0025641 k( 134) = ( -0.1537320 0.1537320 0.1537320), wk = 0.0025641 k( 135) = ( -0.1478192 0.1478192 0.1478192), wk = 0.0025641 k( 136) = ( -0.1419064 0.1419064 0.1419064), wk = 0.0025641 k( 137) = ( -0.1359937 0.1359937 0.1359937), wk = 0.0025641 k( 138) = ( -0.1300809 0.1300809 0.1300809), wk = 0.0025641 k( 139) = ( -0.1241681 0.1241681 0.1241681), wk = 0.0025641 k( 140) = ( -0.1182553 0.1182554 0.1182553), wk = 0.0025641 k( 141) = ( -0.1123426 0.1123426 0.1123426), wk = 0.0025641 k( 142) = ( -0.1064298 0.1064298 0.1064298), wk = 0.0025641 k( 143) = ( -0.1005170 0.1005171 0.1005170), wk = 0.0025641 k( 144) = ( -0.0946043 0.0946043 0.0946043), wk = 0.0025641 k( 145) = ( -0.0886915 0.0886915 0.0886915), wk = 0.0025641 k( 146) = ( -0.0827787 0.0827787 0.0827787), wk = 0.0025641 k( 147) = ( -0.0768660 0.0768660 0.0768660), wk = 0.0025641 k( 148) = ( -0.0709532 0.0709532 0.0709532), wk = 0.0025641 k( 149) = ( -0.0650404 0.0650404 0.0650404), wk = 0.0025641 k( 150) = ( -0.0591277 0.0591277 0.0591277), wk = 0.0025641 k( 151) = ( -0.0532149 0.0532149 0.0532149), wk = 0.0025641 k( 152) = ( -0.0473021 0.0473021 0.0473021), wk = 0.0025641 k( 153) = ( -0.0413894 0.0413894 0.0413894), wk = 0.0025641 k( 154) = ( -0.0354766 0.0354766 0.0354766), wk = 0.0025641 k( 155) = ( -0.0295638 0.0295638 0.0295638), wk = 0.0025641 k( 156) = ( -0.0236511 0.0236511 0.0236511), wk = 0.0025641 k( 157) = ( -0.0177383 0.0177383 0.0177383), wk = 0.0025641 k( 158) = ( -0.0118255 0.0118255 0.0118255), wk = 0.0025641 k( 159) = ( -0.0059128 0.0059128 0.0059128), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 162) = ( 0.0131579 0.0131579 -0.0131579), wk = 0.0025641 k( 163) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0025641 k( 164) = ( 0.0394737 0.0394737 -0.0394737), wk = 0.0025641 k( 165) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0025641 k( 166) = ( 0.0657895 0.0657895 -0.0657895), wk = 0.0025641 k( 167) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0025641 k( 168) = ( 0.0921053 0.0921053 -0.0921053), wk = 0.0025641 k( 169) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0025641 k( 170) = ( 0.1184210 0.1184210 -0.1184210), wk = 0.0025641 k( 171) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0025641 k( 172) = ( 0.1447368 0.1447368 -0.1447368), wk = 0.0025641 k( 173) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0025641 k( 174) = ( 0.1710526 0.1710526 -0.1710526), wk = 0.0025641 k( 175) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0025641 k( 176) = ( 0.1973684 0.1973684 -0.1973684), wk = 0.0025641 k( 177) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0025641 k( 178) = ( 0.2236842 0.2236842 -0.2236842), wk = 0.0025641 k( 179) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0025641 k( 180) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0025641 k( 181) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0025641 k( 182) = ( 0.2763158 0.2763158 -0.2763158), wk = 0.0025641 k( 183) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0025641 k( 184) = ( 0.3026316 0.3026316 -0.3026316), wk = 0.0025641 k( 185) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0025641 k( 186) = ( 0.3289474 0.3289474 -0.3289474), wk = 0.0025641 k( 187) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0025641 k( 188) = ( 0.3552632 0.3552632 -0.3552632), wk = 0.0025641 k( 189) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0025641 k( 190) = ( 0.3815789 0.3815790 -0.3815789), wk = 0.0025641 k( 191) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0025641 k( 192) = ( 0.4078947 0.4078947 -0.4078947), wk = 0.0025641 k( 193) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0025641 k( 194) = ( 0.4342105 0.4342105 -0.4342105), wk = 0.0025641 k( 195) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0025641 k( 196) = ( 0.4605263 0.4605263 -0.4605263), wk = 0.0025641 k( 197) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0025641 k( 198) = ( 0.4868421 0.4868421 -0.4868421), wk = 0.0025641 k( 199) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025641 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025641 k( 201) = ( 0.4939864 0.5060136 -0.4939864), wk = 0.0025641 k( 202) = ( 0.4879728 0.5120272 -0.4879728), wk = 0.0025641 k( 203) = ( 0.4819592 0.5180408 -0.4819592), wk = 0.0025641 k( 204) = ( 0.4759456 0.5240544 -0.4759456), wk = 0.0025641 k( 205) = ( 0.4699320 0.5300680 -0.4699320), wk = 0.0025641 k( 206) = ( 0.4639184 0.5360816 -0.4639184), wk = 0.0025641 k( 207) = ( 0.4579048 0.5420952 -0.4579048), wk = 0.0025641 k( 208) = ( 0.4518912 0.5481088 -0.4518912), wk = 0.0025641 k( 209) = ( 0.4458776 0.5541224 -0.4458776), wk = 0.0025641 k( 210) = ( 0.4398640 0.5601360 -0.4398640), wk = 0.0025641 k( 211) = ( 0.4338504 0.5661496 -0.4338504), wk = 0.0025641 k( 212) = ( 0.4278368 0.5721632 -0.4278368), wk = 0.0025641 k( 213) = ( 0.4218232 0.5781768 -0.4218232), wk = 0.0025641 k( 214) = ( 0.4158096 0.5841904 -0.4158096), wk = 0.0025641 k( 215) = ( 0.4097960 0.5902040 -0.4097960), wk = 0.0025641 k( 216) = ( 0.4037824 0.5962176 -0.4037824), wk = 0.0025641 k( 217) = ( 0.3977688 0.6022312 -0.3977688), wk = 0.0025641 k( 218) = ( 0.3917552 0.6082448 -0.3917552), wk = 0.0025641 k( 219) = ( 0.3857416 0.6142584 -0.3857416), wk = 0.0025641 k( 220) = ( 0.3797280 0.6202720 -0.3797280), wk = 0.0025641 k( 221) = ( 0.3737144 0.6262856 -0.3737144), wk = 0.0025641 k( 222) = ( 0.3677008 0.6322992 -0.3677008), wk = 0.0025641 k( 223) = ( 0.3616872 0.6383128 -0.3616872), wk = 0.0025641 k( 224) = ( 0.3556736 0.6443264 -0.3556736), wk = 0.0025641 k( 225) = ( 0.3496600 0.6503400 -0.3496600), wk = 0.0025641 k( 226) = ( 0.3436464 0.6563536 -0.3436464), wk = 0.0025641 k( 227) = ( 0.3376328 0.6623672 -0.3376328), wk = 0.0025641 k( 228) = ( 0.3316192 0.6683808 -0.3316192), wk = 0.0025641 k( 229) = ( 0.3256056 0.6743944 -0.3256056), wk = 0.0025641 k( 230) = ( 0.3195920 0.6804080 -0.3195920), wk = 0.0025641 k( 231) = ( 0.3135784 0.6864216 -0.3135784), wk = 0.0025641 k( 232) = ( 0.3075647 0.6924352 -0.3075647), wk = 0.0025641 k( 233) = ( 0.3015511 0.6984489 -0.3015511), wk = 0.0025641 k( 234) = ( 0.3015511 0.6984489 -0.3015511), wk = 0.0025641 k( 235) = ( 0.2871916 0.6889989 -0.2871916), wk = 0.0025641 k( 236) = ( 0.2728320 0.6795490 -0.2728320), wk = 0.0025641 k( 237) = ( 0.2584724 0.6700990 -0.2584724), wk = 0.0025641 k( 238) = ( 0.2441128 0.6606491 -0.2441128), wk = 0.0025641 k( 239) = ( 0.2297533 0.6511991 -0.2297533), wk = 0.0025641 k( 240) = ( 0.2153937 0.6417492 -0.2153937), wk = 0.0025641 k( 241) = ( 0.2010341 0.6322992 -0.2010341), wk = 0.0025641 k( 242) = ( 0.1866745 0.6228493 -0.1866745), wk = 0.0025641 k( 243) = ( 0.1723149 0.6133993 -0.1723149), wk = 0.0025641 k( 244) = ( 0.1579554 0.6039494 -0.1579554), wk = 0.0025641 k( 245) = ( 0.1435958 0.5944995 -0.1435958), wk = 0.0025641 k( 246) = ( 0.1292362 0.5850495 -0.1292362), wk = 0.0025641 k( 247) = ( 0.1148766 0.5755996 -0.1148766), wk = 0.0025641 k( 248) = ( 0.1005170 0.5661496 -0.1005171), wk = 0.0025641 k( 249) = ( 0.0861575 0.5566997 -0.0861575), wk = 0.0025641 k( 250) = ( 0.0717979 0.5472497 -0.0717979), wk = 0.0025641 k( 251) = ( 0.0574383 0.5377998 -0.0574383), wk = 0.0025641 k( 252) = ( 0.0430787 0.5283498 -0.0430787), wk = 0.0025641 k( 253) = ( 0.0287192 0.5188999 -0.0287192), wk = 0.0025641 k( 254) = ( 0.0143596 0.5094500 -0.0143596), wk = 0.0025641 k( 255) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 256) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025641 k( 257) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0025641 k( 258) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0025641 k( 259) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0025641 k( 260) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0025641 k( 261) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0025641 k( 262) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0025641 k( 263) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0025641 k( 264) = ( 0.0476191 0.4523810 0.0476190), wk = 0.0025641 k( 265) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0025641 k( 266) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0025641 k( 267) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0025641 k( 268) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0025641 k( 269) = ( 0.0773810 0.4226190 0.0773809), wk = 0.0025641 k( 270) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0025641 k( 271) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0025641 k( 272) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0025641 k( 273) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0025641 k( 274) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0025641 k( 275) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0025641 k( 276) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0025641 k( 277) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0025641 k( 278) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0025641 k( 279) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0025641 k( 280) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0025641 k( 281) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0025641 k( 282) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0025641 k( 283) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0025641 k( 284) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0025641 k( 285) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0025641 k( 286) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0025641 k( 287) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0025641 k( 288) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0025641 k( 289) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0025641 k( 290) = ( 0.2023810 0.2976190 0.2023810), wk = 0.0025641 k( 291) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0025641 k( 292) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0025641 k( 293) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0025641 k( 294) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0025641 k( 295) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0025641 k( 296) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0025641 k( 297) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0025641 k( 298) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 k( 299) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 k( 300) = ( 0.2608696 0.2608696 0.2346477), wk = 0.0025641 k( 301) = ( 0.2717391 0.2717391 0.2192954), wk = 0.0025641 k( 302) = ( 0.2826087 0.2826087 0.2039432), wk = 0.0025641 k( 303) = ( 0.2934783 0.2934783 0.1885909), wk = 0.0025641 k( 304) = ( 0.3043478 0.3043478 0.1732386), wk = 0.0025641 k( 305) = ( 0.3152174 0.3152174 0.1578864), wk = 0.0025641 k( 306) = ( 0.3260870 0.3260870 0.1425341), wk = 0.0025641 k( 307) = ( 0.3369565 0.3369565 0.1271818), wk = 0.0025641 k( 308) = ( 0.3478261 0.3478261 0.1118295), wk = 0.0025641 k( 309) = ( 0.3586956 0.3586956 0.0964773), wk = 0.0025641 k( 310) = ( 0.3695652 0.3695652 0.0811250), wk = 0.0025641 k( 311) = ( 0.3804348 0.3804348 0.0657727), wk = 0.0025641 k( 312) = ( 0.3913044 0.3913044 0.0504204), wk = 0.0025641 k( 313) = ( 0.4021739 0.4021739 0.0350682), wk = 0.0025641 k( 314) = ( 0.4130435 0.4130435 0.0197159), wk = 0.0025641 k( 315) = ( 0.4239130 0.4239130 0.0043636), wk = 0.0025641 k( 316) = ( 0.4347826 0.4347826 -0.0109887), wk = 0.0025641 k( 317) = ( 0.4456522 0.4456522 -0.0263409), wk = 0.0025641 k( 318) = ( 0.4565217 0.4565217 -0.0416932), wk = 0.0025641 k( 319) = ( 0.4673913 0.4673913 -0.0570455), wk = 0.0025641 k( 320) = ( 0.4782609 0.4782609 -0.0723978), wk = 0.0025641 k( 321) = ( 0.4891304 0.4891304 -0.0877500), wk = 0.0025641 k( 322) = ( 0.5000000 0.5000000 -0.1031023), wk = 0.0025641 k( 323) = ( 0.5000000 0.5000000 -0.1031023), wk = 0.0025641 k( 324) = ( 0.5000000 0.5000000 -0.1115469), wk = 0.0025641 k( 325) = ( 0.5000000 0.5000000 -0.1199916), wk = 0.0025641 k( 326) = ( 0.5000000 0.5000000 -0.1284362), wk = 0.0025641 k( 327) = ( 0.5000000 0.5000000 -0.1368808), wk = 0.0025641 k( 328) = ( 0.5000000 0.5000000 -0.1453255), wk = 0.0025641 k( 329) = ( 0.5000000 0.5000000 -0.1537701), wk = 0.0025641 k( 330) = ( 0.5000000 0.5000000 -0.1622147), wk = 0.0025641 k( 331) = ( 0.5000000 0.5000000 -0.1706594), wk = 0.0025641 k( 332) = ( 0.5000000 0.5000000 -0.1791040), wk = 0.0025641 k( 333) = ( 0.5000000 0.5000000 -0.1875486), wk = 0.0025641 k( 334) = ( 0.5000000 0.5000000 -0.1959932), wk = 0.0025641 k( 335) = ( 0.5000000 0.5000000 -0.2044379), wk = 0.0025641 k( 336) = ( 0.5000000 0.5000000 -0.2128825), wk = 0.0025641 k( 337) = ( 0.5000000 0.5000000 -0.2213272), wk = 0.0025641 k( 338) = ( 0.5000000 0.5000000 -0.2297718), wk = 0.0025641 k( 339) = ( 0.5000000 0.5000000 -0.2382164), wk = 0.0025641 k( 340) = ( 0.5000000 0.5000000 -0.2466610), wk = 0.0025641 k( 341) = ( 0.5000000 0.5000000 -0.2551057), wk = 0.0025641 k( 342) = ( 0.5000000 0.5000000 -0.2635503), wk = 0.0025641 k( 343) = ( 0.5000000 0.5000000 -0.2719949), wk = 0.0025641 k( 344) = ( 0.5000000 0.5000000 -0.2804396), wk = 0.0025641 k( 345) = ( 0.5000000 0.5000000 -0.2888842), wk = 0.0025641 k( 346) = ( 0.5000000 0.5000000 -0.2973288), wk = 0.0025641 k( 347) = ( 0.5000000 0.5000000 -0.3057735), wk = 0.0025641 k( 348) = ( 0.5000000 0.5000000 -0.3142181), wk = 0.0025641 k( 349) = ( 0.5000000 0.5000000 -0.3226627), wk = 0.0025641 k( 350) = ( 0.5000000 0.5000000 -0.3311074), wk = 0.0025641 k( 351) = ( 0.5000000 0.5000000 -0.3395520), wk = 0.0025641 k( 352) = ( 0.5000000 0.5000000 -0.3479966), wk = 0.0025641 k( 353) = ( 0.5000000 0.5000000 -0.3564413), wk = 0.0025641 k( 354) = ( 0.5000000 0.5000000 -0.3648859), wk = 0.0025641 k( 355) = ( 0.5000000 0.5000000 -0.3733305), wk = 0.0025641 k( 356) = ( 0.5000000 0.5000000 -0.3817752), wk = 0.0025641 k( 357) = ( 0.5000000 0.5000000 -0.3902198), wk = 0.0025641 k( 358) = ( 0.5000000 0.5000000 -0.3986644), wk = 0.0025641 k( 359) = ( 0.5000000 0.5000000 -0.4071090), wk = 0.0025641 k( 360) = ( 0.5000000 0.5000000 -0.4155537), wk = 0.0025641 k( 361) = ( 0.5000000 0.5000000 -0.4239983), wk = 0.0025641 k( 362) = ( 0.5000000 0.5000000 -0.4324429), wk = 0.0025641 k( 363) = ( 0.5000000 0.5000000 -0.4408876), wk = 0.0025641 k( 364) = ( 0.5000000 0.5000000 -0.4493322), wk = 0.0025641 k( 365) = ( 0.5000000 0.5000000 -0.4577768), wk = 0.0025641 k( 366) = ( 0.5000000 0.5000000 -0.4662215), wk = 0.0025641 k( 367) = ( 0.5000000 0.5000000 -0.4746661), wk = 0.0025641 k( 368) = ( 0.5000000 0.5000000 -0.4831107), wk = 0.0025641 k( 369) = ( 0.5000000 0.5000000 -0.4915554), wk = 0.0025641 k( 370) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025641 k( 371) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 372) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0025641 k( 373) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0025641 k( 374) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0025641 k( 375) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0025641 k( 376) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0025641 k( 377) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0025641 k( 378) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0025641 k( 379) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0025641 k( 380) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0025641 k( 381) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0025641 k( 382) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0025641 k( 383) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0025641 k( 384) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0025641 k( 385) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0025641 k( 386) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0025641 k( 387) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0025641 k( 388) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0025641 k( 389) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0025641 k( 390) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025641 Dense grid: 111135 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 18099 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 136, 30) NL pseudopotentials 0.14 Mb ( 68, 136) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 3088) G-vector shells 0.01 Mb ( 1399) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 136, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.12 Mb ( 136, 2, 30) The potential is recalculated from file : ./Al3V.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.7 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.5 secs Computing kpt #: 18 total cpu time spent up to now is 7.8 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.3 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.9 secs Computing kpt #: 23 total cpu time spent up to now is 9.2 secs Computing kpt #: 24 total cpu time spent up to now is 9.5 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.8 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.9 secs Computing kpt #: 33 total cpu time spent up to now is 12.3 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 13.1 secs Computing kpt #: 36 total cpu time spent up to now is 13.5 secs Computing kpt #: 37 total cpu time spent up to now is 13.9 secs Computing kpt #: 38 total cpu time spent up to now is 14.2 secs Computing kpt #: 39 total cpu time spent up to now is 14.6 secs Computing kpt #: 40 total cpu time spent up to now is 14.9 secs Computing kpt #: 41 total cpu time spent up to now is 15.3 secs Computing kpt #: 42 total cpu time spent up to now is 15.7 secs Computing kpt #: 43 total cpu time spent up to now is 16.0 secs Computing kpt #: 44 total cpu time spent up to now is 16.4 secs Computing kpt #: 45 total cpu time spent up to now is 16.7 secs Computing kpt #: 46 total cpu time spent up to now is 17.0 secs Computing kpt #: 47 total cpu time spent up to now is 17.2 secs Computing kpt #: 48 total cpu time spent up to now is 17.5 secs Computing kpt #: 49 total cpu time spent up to now is 17.8 secs Computing kpt #: 50 total cpu time spent up to now is 18.1 secs Computing kpt #: 51 total cpu time spent up to now is 18.3 secs Computing kpt #: 52 total cpu time spent up to now is 18.6 secs Computing kpt #: 53 total cpu time spent up to now is 18.9 secs Computing kpt #: 54 total cpu time spent up to now is 19.1 secs Computing kpt #: 55 total cpu time spent up to now is 19.4 secs Computing kpt #: 56 total cpu time spent up to now is 19.6 secs Computing kpt #: 57 total cpu time spent up to now is 19.9 secs Computing kpt #: 58 total cpu time spent up to now is 20.1 secs Computing kpt #: 59 total cpu time spent up to now is 20.4 secs Computing kpt #: 60 total cpu time spent up to now is 20.6 secs Computing kpt #: 61 total cpu time spent up to now is 20.8 secs Computing kpt #: 62 total cpu time spent up to now is 21.1 secs Computing kpt #: 63 total cpu time spent up to now is 21.3 secs Computing kpt #: 64 total cpu time spent up to now is 21.6 secs Computing kpt #: 65 total cpu time spent up to now is 21.9 secs Computing kpt #: 66 total cpu time spent up to now is 22.1 secs Computing kpt #: 67 total cpu time spent up to now is 22.4 secs Computing kpt #: 68 total cpu time spent up to now is 22.7 secs Computing kpt #: 69 total cpu time spent up to now is 22.9 secs Computing kpt #: 70 total cpu time spent up to now is 23.1 secs Computing kpt #: 71 total cpu time spent up to now is 23.4 secs Computing kpt #: 72 total cpu time spent up to now is 23.6 secs Computing kpt #: 73 total cpu time spent up to now is 23.9 secs Computing kpt #: 74 total cpu time spent up to now is 24.1 secs Computing kpt #: 75 total cpu time spent up to now is 24.4 secs Computing kpt #: 76 total cpu time spent up to now is 24.6 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.3 secs Computing kpt #: 80 total cpu time spent up to now is 25.6 secs Computing kpt #: 81 total cpu time spent up to now is 25.9 secs Computing kpt #: 82 total cpu time spent up to now is 26.1 secs Computing kpt #: 83 total cpu time spent up to now is 26.4 secs Computing kpt #: 84 total cpu time spent up to now is 26.7 secs Computing kpt #: 85 total cpu time spent up to now is 27.0 secs Computing kpt #: 86 total cpu time spent up to now is 27.4 secs Computing kpt #: 87 total cpu time spent up to now is 27.9 secs Computing kpt #: 88 total cpu time spent up to now is 28.4 secs Computing kpt #: 89 total cpu time spent up to now is 29.0 secs Computing kpt #: 90 total cpu time spent up to now is 29.6 secs Computing kpt #: 91 total cpu time spent up to now is 30.0 secs Computing kpt #: 92 total cpu time spent up to now is 30.4 secs Computing kpt #: 93 total cpu time spent up to now is 30.8 secs Computing kpt #: 94 total cpu time spent up to now is 31.2 secs Computing kpt #: 95 total cpu time spent up to now is 31.5 secs Computing kpt #: 96 total cpu time spent up to now is 31.8 secs Computing kpt #: 97 total cpu time spent up to now is 32.2 secs Computing kpt #: 98 total cpu time spent up to now is 32.5 secs Computing kpt #: 99 total cpu time spent up to now is 32.8 secs Computing kpt #: 100 total cpu time spent up to now is 33.1 secs Computing kpt #: 101 total cpu time spent up to now is 33.4 secs Computing kpt #: 102 total cpu time spent up to now is 33.7 secs Computing kpt #: 103 total cpu time spent up to now is 34.0 secs Computing kpt #: 104 total cpu time spent up to now is 34.3 secs Computing kpt #: 105 total cpu time spent up to now is 34.7 secs Computing kpt #: 106 total cpu time spent up to now is 35.1 secs Computing kpt #: 107 total cpu time spent up to now is 35.3 secs Computing kpt #: 108 total cpu time spent up to now is 35.6 secs Computing kpt #: 109 total cpu time spent up to now is 35.9 secs Computing kpt #: 110 total cpu time spent up to now is 36.2 secs Computing kpt #: 111 total cpu time spent up to now is 36.5 secs Computing kpt #: 112 total cpu time spent up to now is 36.9 secs Computing kpt #: 113 total cpu time spent up to now is 37.2 secs Computing kpt #: 114 total cpu time spent up to now is 37.5 secs Computing kpt #: 115 total cpu time spent up to now is 37.7 secs Computing kpt #: 116 total cpu time spent up to now is 38.1 secs Computing kpt #: 117 total cpu time spent up to now is 38.4 secs Computing kpt #: 118 total cpu time spent up to now is 38.7 secs Computing kpt #: 119 total cpu time spent up to now is 39.0 secs Computing kpt #: 120 total cpu time spent up to now is 39.4 secs Computing kpt #: 121 total cpu time spent up to now is 39.7 secs Computing kpt #: 122 total cpu time spent up to now is 40.0 secs Computing kpt #: 123 total cpu time spent up to now is 40.3 secs Computing kpt #: 124 total cpu time spent up to now is 40.8 secs Computing kpt #: 125 total cpu time spent up to now is 41.2 secs Computing kpt #: 126 total cpu time spent up to now is 41.6 secs Computing kpt #: 127 total cpu time spent up to now is 41.8 secs Computing kpt #: 128 total cpu time spent up to now is 42.1 secs Computing kpt #: 129 total cpu time spent up to now is 42.3 secs Computing kpt #: 130 total cpu time spent up to now is 42.6 secs Computing kpt #: 131 total cpu time spent up to now is 42.8 secs Computing kpt #: 132 total cpu time spent up to now is 43.1 secs Computing kpt #: 133 total cpu time spent up to now is 43.4 secs Computing kpt #: 134 total cpu time spent up to now is 43.6 secs Computing kpt #: 135 total cpu time spent up to now is 43.9 secs Computing kpt #: 136 total cpu time spent up to now is 44.1 secs Computing kpt #: 137 total cpu time spent up to now is 44.4 secs Computing kpt #: 138 total cpu time spent up to now is 44.7 secs Computing kpt #: 139 total cpu time spent up to now is 45.0 secs Computing kpt #: 140 total cpu time spent up to now is 45.4 secs Computing kpt #: 141 total cpu time spent up to now is 45.8 secs Computing kpt #: 142 total cpu time spent up to now is 46.1 secs Computing kpt #: 143 total cpu time spent up to now is 46.4 secs Computing kpt #: 144 total cpu time spent up to now is 46.7 secs Computing kpt #: 145 total cpu time spent up to now is 47.1 secs Computing kpt #: 146 total cpu time spent up to now is 47.6 secs Computing kpt #: 147 total cpu time spent up to now is 48.1 secs Computing kpt #: 148 total cpu time spent up to now is 48.6 secs Computing kpt #: 149 total cpu time spent up to now is 49.1 secs Computing kpt #: 150 total cpu time spent up to now is 49.6 secs Computing kpt #: 151 total cpu time spent up to now is 50.1 secs Computing kpt #: 152 total cpu time spent up to now is 50.5 secs Computing kpt #: 153 total cpu time spent up to now is 50.9 secs Computing kpt #: 154 total cpu time spent up to now is 51.2 secs Computing kpt #: 155 total cpu time spent up to now is 51.6 secs Computing kpt #: 156 total cpu time spent up to now is 51.9 secs Computing kpt #: 157 total cpu time spent up to now is 52.2 secs Computing kpt #: 158 total cpu time spent up to now is 52.6 secs Computing kpt #: 159 total cpu time spent up to now is 52.9 secs Computing kpt #: 160 total cpu time spent up to now is 53.2 secs Computing kpt #: 161 total cpu time spent up to now is 53.6 secs Computing kpt #: 162 total cpu time spent up to now is 53.9 secs Computing kpt #: 163 total cpu time spent up to now is 54.2 secs Computing kpt #: 164 total cpu time spent up to now is 54.6 secs Computing kpt #: 165 total cpu time spent up to now is 54.9 secs Computing kpt #: 166 total cpu time spent up to now is 55.3 secs Computing kpt #: 167 total cpu time spent up to now is 55.6 secs Computing kpt #: 168 total cpu time spent up to now is 55.9 secs Computing kpt #: 169 total cpu time spent up to now is 56.2 secs Computing kpt #: 170 total cpu time spent up to now is 56.5 secs Computing kpt #: 171 total cpu time spent up to now is 56.7 secs Computing kpt #: 172 total cpu time spent up to now is 57.0 secs Computing kpt #: 173 total cpu time spent up to now is 57.2 secs Computing kpt #: 174 total cpu time spent up to now is 57.5 secs Computing kpt #: 175 total cpu time spent up to now is 57.7 secs Computing kpt #: 176 total cpu time spent up to now is 58.0 secs Computing kpt #: 177 total cpu time spent up to now is 58.2 secs Computing kpt #: 178 total cpu time spent up to now is 58.5 secs Computing kpt #: 179 total cpu time spent up to now is 58.7 secs Computing kpt #: 180 total cpu time spent up to now is 59.0 secs Computing kpt #: 181 total cpu time spent up to now is 59.3 secs Computing kpt #: 182 total cpu time spent up to now is 59.5 secs Computing kpt #: 183 total cpu time spent up to now is 59.8 secs Computing kpt #: 184 total cpu time spent up to now is 60.0 secs Computing kpt #: 185 total cpu time spent up to now is 60.3 secs Computing kpt #: 186 total cpu time spent up to now is 60.6 secs Computing kpt #: 187 total cpu time spent up to now is 60.8 secs Computing kpt #: 188 total cpu time spent up to now is 61.0 secs Computing kpt #: 189 total cpu time spent up to now is 61.3 secs Computing kpt #: 190 total cpu time spent up to now is 61.5 secs Computing kpt #: 191 total cpu time spent up to now is 61.8 secs Computing kpt #: 192 total cpu time spent up to now is 62.0 secs Computing kpt #: 193 total cpu time spent up to now is 62.2 secs Computing kpt #: 194 total cpu time spent up to now is 62.5 secs Computing kpt #: 195 total cpu time spent up to now is 62.7 secs Computing kpt #: 196 total cpu time spent up to now is 62.9 secs Computing kpt #: 197 total cpu time spent up to now is 63.1 secs Computing kpt #: 198 total cpu time spent up to now is 63.3 secs Computing kpt #: 199 total cpu time spent up to now is 63.5 secs Computing kpt #: 200 total cpu time spent up to now is 63.7 secs Computing kpt #: 201 total cpu time spent up to now is 63.9 secs Computing kpt #: 202 total cpu time spent up to now is 64.1 secs Computing kpt #: 203 total cpu time spent up to now is 64.3 secs Computing kpt #: 204 total cpu time spent up to now is 64.5 secs Computing kpt #: 205 total cpu time spent up to now is 64.8 secs Computing kpt #: 206 total cpu time spent up to now is 65.0 secs Computing kpt #: 207 total cpu time spent up to now is 65.2 secs Computing kpt #: 208 total cpu time spent up to now is 65.5 secs Computing kpt #: 209 total cpu time spent up to now is 65.7 secs Computing kpt #: 210 total cpu time spent up to now is 66.0 secs Computing kpt #: 211 total cpu time spent up to now is 66.3 secs Computing kpt #: 212 total cpu time spent up to now is 66.5 secs Computing kpt #: 213 total cpu time spent up to now is 66.8 secs Computing kpt #: 214 total cpu time spent up to now is 67.2 secs Computing kpt #: 215 total cpu time spent up to now is 67.5 secs Computing kpt #: 216 total cpu time spent up to now is 67.7 secs Computing kpt #: 217 total cpu time spent up to now is 68.0 secs Computing kpt #: 218 total cpu time spent up to now is 68.3 secs Computing kpt #: 219 total cpu time spent up to now is 68.5 secs Computing kpt #: 220 total cpu time spent up to now is 68.8 secs Computing kpt #: 221 total cpu time spent up to now is 69.1 secs Computing kpt #: 222 total cpu time spent up to now is 69.3 secs Computing kpt #: 223 total cpu time spent up to now is 69.6 secs Computing kpt #: 224 total cpu time spent up to now is 69.9 secs Computing kpt #: 225 total cpu time spent up to now is 70.2 secs Computing kpt #: 226 total cpu time spent up to now is 70.4 secs Computing kpt #: 227 total cpu time spent up to now is 70.7 secs Computing kpt #: 228 total cpu time spent up to now is 71.0 secs Computing kpt #: 229 total cpu time spent up to now is 71.3 secs Computing kpt #: 230 total cpu time spent up to now is 71.5 secs Computing kpt #: 231 total cpu time spent up to now is 71.8 secs Computing kpt #: 232 total cpu time spent up to now is 72.1 secs Computing kpt #: 233 total cpu time spent up to now is 72.4 secs Computing kpt #: 234 total cpu time spent up to now is 72.7 secs Computing kpt #: 235 total cpu time spent up to now is 73.0 secs Computing kpt #: 236 total cpu time spent up to now is 73.4 secs Computing kpt #: 237 total cpu time spent up to now is 73.8 secs Computing kpt #: 238 total cpu time spent up to now is 74.2 secs Computing kpt #: 239 total cpu time spent up to now is 74.6 secs Computing kpt #: 240 total cpu time spent up to now is 74.9 secs Computing kpt #: 241 total cpu time spent up to now is 75.3 secs Computing kpt #: 242 total cpu time spent up to now is 75.6 secs Computing kpt #: 243 total cpu time spent up to now is 76.0 secs Computing kpt #: 244 total cpu time spent up to now is 76.4 secs Computing kpt #: 245 total cpu time spent up to now is 76.7 secs Computing kpt #: 246 total cpu time spent up to now is 77.0 secs Computing kpt #: 247 total cpu time spent up to now is 77.4 secs Computing kpt #: 248 total cpu time spent up to now is 77.8 secs Computing kpt #: 249 total cpu time spent up to now is 78.1 secs Computing kpt #: 250 total cpu time spent up to now is 78.4 secs Computing kpt #: 251 total cpu time spent up to now is 78.7 secs Computing kpt #: 252 total cpu time spent up to now is 79.1 secs Computing kpt #: 253 total cpu time spent up to now is 79.4 secs Computing kpt #: 254 total cpu time spent up to now is 79.7 secs Computing kpt #: 255 total cpu time spent up to now is 79.9 secs Computing kpt #: 256 total cpu time spent up to now is 80.2 secs Computing kpt #: 257 total cpu time spent up to now is 80.5 secs Computing kpt #: 258 total cpu time spent up to now is 80.8 secs Computing kpt #: 259 total cpu time spent up to now is 81.1 secs Computing kpt #: 260 total cpu time spent up to now is 81.4 secs Computing kpt #: 261 total cpu time spent up to now is 81.6 secs Computing kpt #: 262 total cpu time spent up to now is 81.9 secs Computing kpt #: 263 total cpu time spent up to now is 82.2 secs Computing kpt #: 264 total cpu time spent up to now is 82.5 secs Computing kpt #: 265 total cpu time spent up to now is 82.7 secs Computing kpt #: 266 total cpu time spent up to now is 83.0 secs Computing kpt #: 267 total cpu time spent up to now is 83.2 secs Computing kpt #: 268 total cpu time spent up to now is 83.5 secs Computing kpt #: 269 total cpu time spent up to now is 83.7 secs Computing kpt #: 270 total cpu time spent up to now is 84.0 secs Computing kpt #: 271 total cpu time spent up to now is 84.2 secs Computing kpt #: 272 total cpu time spent up to now is 84.5 secs Computing kpt #: 273 total cpu time spent up to now is 84.7 secs Computing kpt #: 274 total cpu time spent up to now is 85.0 secs Computing kpt #: 275 total cpu time spent up to now is 85.2 secs Computing kpt #: 276 total cpu time spent up to now is 85.5 secs Computing kpt #: 277 total cpu time spent up to now is 85.7 secs Computing kpt #: 278 total cpu time spent up to now is 86.0 secs Computing kpt #: 279 total cpu time spent up to now is 86.2 secs Computing kpt #: 280 total cpu time spent up to now is 86.5 secs Computing kpt #: 281 total cpu time spent up to now is 86.8 secs Computing kpt #: 282 total cpu time spent up to now is 87.0 secs Computing kpt #: 283 total cpu time spent up to now is 87.3 secs Computing kpt #: 284 total cpu time spent up to now is 87.5 secs Computing kpt #: 285 total cpu time spent up to now is 87.8 secs Computing kpt #: 286 total cpu time spent up to now is 88.0 secs Computing kpt #: 287 total cpu time spent up to now is 88.3 secs Computing kpt #: 288 total cpu time spent up to now is 88.5 secs Computing kpt #: 289 total cpu time spent up to now is 88.8 secs Computing kpt #: 290 total cpu time spent up to now is 89.0 secs Computing kpt #: 291 total cpu time spent up to now is 89.4 secs Computing kpt #: 292 total cpu time spent up to now is 89.6 secs Computing kpt #: 293 total cpu time spent up to now is 89.9 secs Computing kpt #: 294 total cpu time spent up to now is 90.2 secs Computing kpt #: 295 total cpu time spent up to now is 90.5 secs Computing kpt #: 296 total cpu time spent up to now is 90.9 secs Computing kpt #: 297 total cpu time spent up to now is 91.3 secs Computing kpt #: 298 total cpu time spent up to now is 91.6 secs Computing kpt #: 299 total cpu time spent up to now is 92.0 secs Computing kpt #: 300 total cpu time spent up to now is 92.3 secs Computing kpt #: 301 total cpu time spent up to now is 92.6 secs Computing kpt #: 302 total cpu time spent up to now is 92.8 secs Computing kpt #: 303 total cpu time spent up to now is 93.2 secs Computing kpt #: 304 total cpu time spent up to now is 93.6 secs Computing kpt #: 305 total cpu time spent up to now is 93.9 secs Computing kpt #: 306 total cpu time spent up to now is 94.3 secs Computing kpt #: 307 total cpu time spent up to now is 94.6 secs Computing kpt #: 308 total cpu time spent up to now is 94.9 secs Computing kpt #: 309 total cpu time spent up to now is 95.2 secs Computing kpt #: 310 total cpu time spent up to now is 95.5 secs Computing kpt #: 311 total cpu time spent up to now is 95.8 secs Computing kpt #: 312 total cpu time spent up to now is 96.1 secs Computing kpt #: 313 total cpu time spent up to now is 96.4 secs Computing kpt #: 314 total cpu time spent up to now is 96.6 secs Computing kpt #: 315 total cpu time spent up to now is 96.9 secs Computing kpt #: 316 total cpu time spent up to now is 97.1 secs Computing kpt #: 317 total cpu time spent up to now is 97.4 secs Computing kpt #: 318 total cpu time spent up to now is 97.7 secs Computing kpt #: 319 total cpu time spent up to now is 97.9 secs Computing kpt #: 320 total cpu time spent up to now is 98.2 secs Computing kpt #: 321 total cpu time spent up to now is 98.4 secs Computing kpt #: 322 total cpu time spent up to now is 98.6 secs Computing kpt #: 323 total cpu time spent up to now is 98.9 secs Computing kpt #: 324 total cpu time spent up to now is 99.1 secs Computing kpt #: 325 total cpu time spent up to now is 99.4 secs Computing kpt #: 326 total cpu time spent up to now is 99.6 secs Computing kpt #: 327 total cpu time spent up to now is 99.8 secs Computing kpt #: 328 total cpu time spent up to now is 100.1 secs Computing kpt #: 329 total cpu time spent up to now is 100.3 secs Computing kpt #: 330 total cpu time spent up to now is 100.6 secs Computing kpt #: 331 total cpu time spent up to now is 100.8 secs Computing kpt #: 332 total cpu time spent up to now is 101.0 secs Computing kpt #: 333 total cpu time spent up to now is 101.3 secs Computing kpt #: 334 total cpu time spent up to now is 101.6 secs Computing kpt #: 335 total cpu time spent up to now is 101.8 secs Computing kpt #: 336 total cpu time spent up to now is 102.1 secs Computing kpt #: 337 total cpu time spent up to now is 102.4 secs Computing kpt #: 338 total cpu time spent up to now is 102.7 secs Computing kpt #: 339 total cpu time spent up to now is 102.9 secs Computing kpt #: 340 total cpu time spent up to now is 103.3 secs Computing kpt #: 341 total cpu time spent up to now is 103.6 secs Computing kpt #: 342 total cpu time spent up to now is 104.0 secs Computing kpt #: 343 total cpu time spent up to now is 104.4 secs Computing kpt #: 344 total cpu time spent up to now is 104.7 secs Computing kpt #: 345 total cpu time spent up to now is 105.2 secs Computing kpt #: 346 total cpu time spent up to now is 105.6 secs Computing kpt #: 347 total cpu time spent up to now is 106.0 secs Computing kpt #: 348 total cpu time spent up to now is 106.4 secs Computing kpt #: 349 total cpu time spent up to now is 106.8 secs Computing kpt #: 350 total cpu time spent up to now is 107.1 secs Computing kpt #: 351 total cpu time spent up to now is 107.5 secs Computing kpt #: 352 total cpu time spent up to now is 107.9 secs Computing kpt #: 353 total cpu time spent up to now is 108.2 secs Computing kpt #: 354 total cpu time spent up to now is 108.7 secs Computing kpt #: 355 total cpu time spent up to now is 109.0 secs Computing kpt #: 356 total cpu time spent up to now is 109.3 secs Computing kpt #: 357 total cpu time spent up to now is 109.5 secs Computing kpt #: 358 total cpu time spent up to now is 109.8 secs Computing kpt #: 359 total cpu time spent up to now is 110.1 secs Computing kpt #: 360 total cpu time spent up to now is 110.3 secs Computing kpt #: 361 total cpu time spent up to now is 110.5 secs Computing kpt #: 362 total cpu time spent up to now is 110.8 secs Computing kpt #: 363 total cpu time spent up to now is 111.0 secs Computing kpt #: 364 total cpu time spent up to now is 111.2 secs Computing kpt #: 365 total cpu time spent up to now is 111.5 secs Computing kpt #: 366 total cpu time spent up to now is 111.7 secs Computing kpt #: 367 total cpu time spent up to now is 111.9 secs Computing kpt #: 368 total cpu time spent up to now is 112.1 secs Computing kpt #: 369 total cpu time spent up to now is 112.3 secs Computing kpt #: 370 total cpu time spent up to now is 112.5 secs Computing kpt #: 371 total cpu time spent up to now is 112.9 secs Computing kpt #: 372 total cpu time spent up to now is 113.1 secs Computing kpt #: 373 total cpu time spent up to now is 113.4 secs Computing kpt #: 374 total cpu time spent up to now is 113.6 secs Computing kpt #: 375 total cpu time spent up to now is 113.9 secs Computing kpt #: 376 total cpu time spent up to now is 114.1 secs Computing kpt #: 377 total cpu time spent up to now is 114.4 secs Computing kpt #: 378 total cpu time spent up to now is 114.6 secs Computing kpt #: 379 total cpu time spent up to now is 114.9 secs Computing kpt #: 380 total cpu time spent up to now is 115.1 secs Computing kpt #: 381 total cpu time spent up to now is 115.4 secs Computing kpt #: 382 total cpu time spent up to now is 115.6 secs Computing kpt #: 383 total cpu time spent up to now is 115.9 secs Computing kpt #: 384 total cpu time spent up to now is 116.1 secs Computing kpt #: 385 total cpu time spent up to now is 116.4 secs Computing kpt #: 386 total cpu time spent up to now is 116.6 secs Computing kpt #: 387 total cpu time spent up to now is 116.9 secs Computing kpt #: 388 total cpu time spent up to now is 117.1 secs Computing kpt #: 389 total cpu time spent up to now is 117.4 secs Computing kpt #: 390 total cpu time spent up to now is 117.9 secs ethr = 4.55E-08, avg # of iterations = 21.3 total cpu time spent up to now is 117.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2257 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3301 -0.3301 7.3289 7.3289 7.4819 7.4819 8.4362 8.4362 8.6855 8.6855 8.6888 8.6888 10.3752 10.3752 11.7283 11.7283 11.7705 11.7705 12.2641 12.2641 12.9282 12.9282 k = 0.0000 0.0000 0.0157 ( 2249 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3286 -0.3286 7.3302 7.3302 7.4806 7.4806 8.4347 8.4347 8.6834 8.6834 8.6873 8.6873 10.3702 10.3702 11.7286 11.7286 11.7706 11.7706 12.2559 12.2559 12.9265 12.9265 k = 0.0000 0.0000 0.0314 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2184 -27.2184 -27.0878 -27.0878 -0.3240 -0.3240 7.3339 7.3339 7.4767 7.4767 8.4301 8.4301 8.6709 8.6709 8.6892 8.6892 10.3554 10.3554 11.7296 11.7296 11.7710 11.7710 12.2322 12.2322 12.9219 12.9219 k = 0.0000 0.0000 0.0470 ( 2243 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2184 -27.2184 -27.0878 -27.0878 -0.3164 -0.3164 7.3401 7.3401 7.4701 7.4701 8.4225 8.4225 8.6498 8.6498 8.6930 8.6930 10.3310 10.3310 11.7309 11.7309 11.7720 11.7720 12.1957 12.1957 12.9149 12.9149 k = 0.0000 0.0000 0.0627 ( 2243 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2185 -27.2185 -27.0878 -27.0878 -0.3057 -0.3057 7.3489 7.3489 7.4611 7.4611 8.4120 8.4120 8.6207 8.6207 8.6981 8.6981 10.2971 10.2971 11.7324 11.7324 11.7737 11.7737 12.1497 12.1497 12.9065 12.9065 k = 0.0000 0.0000 0.0784 ( 2239 PWs) bands (ev): -53.5708 -53.5708 -27.9920 -27.9920 -27.2186 -27.2186 -27.0878 -27.0878 -0.2919 -0.2919 7.3600 7.3600 7.4496 7.4496 8.3986 8.3986 8.5840 8.5840 8.7045 8.7045 10.2542 10.2542 11.7338 11.7338 11.7765 11.7765 12.0976 12.0976 12.8976 12.8976 k = 0.0000 0.0000 0.0941 ( 2235 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2187 -27.2187 -27.0879 -27.0879 -0.2752 -0.2752 7.3736 7.3736 7.4359 7.4359 8.3826 8.3826 8.5404 8.5404 8.7120 8.7120 10.2028 10.2028 11.7350 11.7350 11.7805 11.7805 12.0420 12.0420 12.8886 12.8886 k = 0.0000 0.0000 0.1098 ( 2235 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2188 -27.2188 -27.0879 -27.0879 -0.2553 -0.2553 7.3895 7.3895 7.4199 7.4199 8.3640 8.3640 8.4904 8.4904 8.7204 8.7204 10.1435 10.1435 11.7361 11.7361 11.7856 11.7856 11.9852 11.9852 12.8801 12.8801 k = 0.0000 0.0000 0.1255 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9923 -27.9923 -27.2190 -27.2190 -27.0879 -27.0879 -0.2325 -0.2325 7.4019 7.4019 7.4079 7.4079 8.3430 8.3430 8.4346 8.4346 8.7296 8.7296 10.0768 10.0768 11.7372 11.7372 11.7914 11.7914 11.9287 11.9287 12.8720 12.8720 k = 0.0000 0.0000 0.1411 ( 2245 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2192 -27.2192 -27.0879 -27.0879 -0.2066 -0.2066 7.3820 7.3820 7.4284 7.4284 8.3199 8.3199 8.3738 8.3738 8.7394 8.7394 10.0035 10.0035 11.7385 11.7385 11.7973 11.7973 11.8744 11.8744 12.8647 12.8647 k = 0.0000 0.0000 0.1568 ( 2245 PWs) bands (ev): -53.5708 -53.5708 -27.9925 -27.9925 -27.2194 -27.2194 -27.0880 -27.0880 -0.1777 -0.1777 7.3604 7.3604 7.4512 7.4512 8.2946 8.2946 8.3087 8.3087 8.7496 8.7496 9.9243 9.9243 11.7401 11.7401 11.7990 11.7990 11.8270 11.8270 12.8580 12.8580 k = 0.0000 0.0000 0.1725 ( 2237 PWs) bands (ev): -53.5707 -53.5707 -27.9926 -27.9926 -27.2196 -27.2196 -27.0880 -27.0880 -0.1458 -0.1458 7.3371 7.3371 7.4761 7.4761 8.2395 8.2395 8.2678 8.2678 8.7600 8.7600 9.8400 9.8400 11.7414 11.7414 11.7674 11.7674 11.8166 11.8166 12.8520 12.8520 k = 0.0000 0.0000 0.1882 ( 2245 PWs) bands (ev): -53.5707 -53.5707 -27.9928 -27.9928 -27.2198 -27.2198 -27.0880 -27.0880 -0.1109 -0.1109 7.3124 7.3124 7.5031 7.5031 8.1672 8.1672 8.2392 8.2392 8.7705 8.7705 9.7511 9.7511 11.7202 11.7202 11.7469 11.7469 11.8215 11.8215 12.8466 12.8466 k = 0.0000 0.0000 0.2039 ( 2249 PWs) bands (ev): -53.5707 -53.5707 -27.9930 -27.9930 -27.2201 -27.2201 -27.0881 -27.0881 -0.0730 -0.0730 7.2863 7.2863 7.5319 7.5319 8.0922 8.0922 8.2091 8.2091 8.7809 8.7809 9.6585 9.6585 11.6792 11.6792 11.7493 11.7493 11.8269 11.8269 12.8417 12.8417 k = 0.0000 0.0000 0.2196 ( 2253 PWs) bands (ev): -53.5707 -53.5707 -27.9931 -27.9931 -27.2203 -27.2203 -27.0881 -27.0881 -0.0321 -0.0321 7.2590 7.2590 7.5626 7.5626 8.0151 8.0151 8.1779 8.1779 8.7910 8.7910 9.5628 9.5628 11.6416 11.6416 11.7530 11.7530 11.8318 11.8318 12.8373 12.8373 k = 0.0000 0.0000 0.2352 ( 2255 PWs) bands (ev): -53.5707 -53.5707 -27.9933 -27.9933 -27.2206 -27.2206 -27.0881 -27.0881 0.0117 0.0117 7.2306 7.2306 7.5948 7.5948 7.9362 7.9362 8.1456 8.1456 8.8008 8.8008 9.4646 9.4646 11.6083 11.6083 11.7572 11.7572 11.8357 11.8357 12.8333 12.8333 k = 0.0000 0.0000 0.2509 ( 2251 PWs) bands (ev): -53.5706 -53.5706 -27.9935 -27.9935 -27.2209 -27.2209 -27.0882 -27.0882 0.0585 0.0585 7.2012 7.2012 7.6285 7.6285 7.8561 7.8561 8.1124 8.1124 8.8101 8.8101 9.3646 9.3646 11.5796 11.5796 11.7617 11.7617 11.8384 11.8384 12.8296 12.8296 k = 0.0000 0.0000 0.2666 ( 2255 PWs) bands (ev): -53.5706 -53.5706 -27.9937 -27.9937 -27.2212 -27.2212 -27.0882 -27.0882 0.1082 0.1082 7.1710 7.1710 7.6632 7.6632 7.7752 7.7752 8.0786 8.0786 8.8188 8.8188 9.2634 9.2634 11.5556 11.5556 11.7665 11.7665 11.8397 11.8397 12.8263 12.8263 k = 0.0000 0.0000 0.2823 ( 2253 PWs) bands (ev): -53.5706 -53.5706 -27.9939 -27.9939 -27.2215 -27.2215 -27.0883 -27.0883 0.1609 0.1609 7.1400 7.1400 7.6904 7.6904 7.7021 7.7021 8.0442 8.0442 8.8270 8.8270 9.1616 9.1616 11.5364 11.5364 11.7713 11.7713 11.8396 11.8396 12.8232 12.8232 k = 0.0000 0.0000 0.2980 ( 2249 PWs) bands (ev): -53.5705 -53.5705 -27.9941 -27.9941 -27.2218 -27.2218 -27.0883 -27.0883 0.2164 0.2164 7.1083 7.1083 7.6114 7.6114 7.7353 7.7353 8.0095 8.0095 8.8344 8.8344 9.0599 9.0599 11.5220 11.5220 11.7759 11.7759 11.8380 11.8380 12.8203 12.8203 k = 0.0000 0.0000 0.3137 ( 2249 PWs) bands (ev): -53.5705 -53.5705 -27.9943 -27.9943 -27.2222 -27.2222 -27.0883 -27.0883 0.2748 0.2748 7.0761 7.0761 7.5297 7.5297 7.7710 7.7710 7.9745 7.9745 8.8413 8.8413 8.9591 8.9591 11.5124 11.5124 11.7803 11.7803 11.8348 11.8348 12.8176 12.8176 k = 0.0000 0.0000 0.3293 ( 2253 PWs) bands (ev): -53.5705 -53.5705 -27.9946 -27.9946 -27.2225 -27.2225 -27.0884 -27.0884 0.3361 0.3361 7.0435 7.0435 7.4483 7.4483 7.8057 7.8057 7.9394 7.9394 8.8473 8.8473 8.8603 8.8603 11.5075 11.5075 11.7839 11.7839 11.8300 11.8300 12.8151 12.8151 k = 0.0000 0.0000 0.3450 ( 2261 PWs) bands (ev): -53.5705 -53.5705 -27.9948 -27.9948 -27.2229 -27.2229 -27.0884 -27.0884 0.4002 0.4002 7.0104 7.0104 7.3674 7.3674 7.8382 7.8382 7.9043 7.9043 8.7643 8.7643 8.8530 8.8530 11.5072 11.5072 11.7866 11.7866 11.8238 11.8238 12.8127 12.8127 k = 0.0000 0.0000 0.3607 ( 2265 PWs) bands (ev): -53.5704 -53.5704 -27.9950 -27.9950 -27.2232 -27.2232 -27.0885 -27.0885 0.4672 0.4672 6.9771 6.9771 7.2873 7.2873 7.8660 7.8660 7.8700 7.8700 8.6734 8.6734 8.8579 8.8579 11.5114 11.5114 11.7878 11.7878 11.8161 11.8161 12.8104 12.8104 k = 0.0000 0.0000 0.3764 ( 2259 PWs) bands (ev): -53.5704 -53.5704 -27.9953 -27.9953 -27.2236 -27.2236 -27.0885 -27.0885 0.5369 0.5369 6.9436 6.9436 7.2080 7.2080 7.8347 7.8347 7.8881 7.8881 8.5901 8.5901 8.8623 8.8623 11.5199 11.5199 11.7868 11.7868 11.8074 11.8074 12.8082 12.8082 k = 0.0000 0.0000 0.3921 ( 2251 PWs) bands (ev): -53.5703 -53.5703 -27.9955 -27.9955 -27.2240 -27.2240 -27.0886 -27.0886 0.6094 0.6094 6.9100 6.9100 7.1299 7.1299 7.8004 7.8004 7.8988 7.8988 8.5183 8.5183 8.8662 8.8662 11.5327 11.5327 11.7827 11.7827 11.7980 11.7980 12.8061 12.8061 k = 0.0000 0.0000 0.4078 ( 2255 PWs) bands (ev): -53.5703 -53.5703 -27.9957 -27.9957 -27.2244 -27.2244 -27.0886 -27.0886 0.6846 0.6846 6.8764 6.8764 7.0530 7.0530 7.7665 7.7665 7.8937 7.8937 8.4626 8.4626 8.8697 8.8697 11.5495 11.5495 11.7746 11.7746 11.7883 11.7883 12.8040 12.8040 k = 0.0000 0.0000 0.4234 ( 2261 PWs) bands (ev): -53.5703 -53.5703 -27.9960 -27.9960 -27.2247 -27.2247 -27.0887 -27.0887 0.7626 0.7626 6.8429 6.8429 6.9774 6.9774 7.7332 7.7332 7.8685 7.8685 8.4271 8.4271 8.8728 8.8728 11.5701 11.5701 11.7627 11.7627 11.7770 11.7770 12.8020 12.8020 k = 0.0000 0.0000 0.4391 ( 2261 PWs) bands (ev): -53.5703 -53.5703 -27.9962 -27.9962 -27.2251 -27.2251 -27.0887 -27.0887 0.8432 0.8432 6.8095 6.8095 6.9034 6.9034 7.7004 7.7004 7.8225 7.8225 8.4121 8.4121 8.8756 8.8756 11.5944 11.5944 11.7482 11.7482 11.7622 11.7622 12.8000 12.8000 k = 0.0000 0.0000 0.4548 ( 2261 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2255 -27.2255 -27.0888 -27.0888 0.9265 0.9265 6.7764 6.7764 6.8310 6.8310 7.6683 7.6683 7.7591 7.7591 8.4137 8.4137 8.8783 8.8783 11.6219 11.6219 11.7306 11.7306 11.7432 11.7432 12.7980 12.7980 k = 0.0000 0.0000 0.4705 ( 2261 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2259 -27.2259 -27.0888 -27.0888 1.0124 1.0124 6.7435 6.7435 6.7603 6.7603 7.6369 7.6369 7.6834 7.6834 8.4263 8.4263 8.8808 8.8808 11.6524 11.6524 11.7058 11.7058 11.7232 11.7232 12.7960 12.7960 k = 0.0000 0.0000 0.4862 ( 2261 PWs) bands (ev): -53.5701 -53.5701 -27.9970 -27.9970 -27.2262 -27.2262 -27.0889 -27.0889 1.1009 1.1009 6.6912 6.6912 6.7113 6.7113 7.5996 7.5996 7.6062 7.6062 8.4449 8.4449 8.8832 8.8832 11.6679 11.6679 11.6852 11.6852 11.7072 11.7072 12.7889 12.7889 k = 0.0000 0.0000 0.5019 ( 2261 PWs) bands (ev): -53.5701 -53.5701 -27.9972 -27.9972 -27.2266 -27.2266 -27.0889 -27.0889 1.1919 1.1919 6.6242 6.6242 6.6793 6.6793 7.5108 7.5108 7.5764 7.5764 8.4659 8.4659 8.8855 8.8855 11.6223 11.6223 11.6825 11.6825 11.7272 11.7272 12.6914 12.6914 k = 0.0000 0.0000 0.5175 ( 2265 PWs) bands (ev): -53.5701 -53.5701 -27.9975 -27.9975 -27.2270 -27.2270 -27.0890 -27.0890 1.2855 1.2855 6.5591 6.5591 6.6479 6.6479 7.4187 7.4187 7.5475 7.5475 8.4865 8.4865 8.8879 8.8879 11.5662 11.5662 11.6646 11.6646 11.7658 11.7658 12.6070 12.6070 k = 0.0000 0.0000 0.5332 ( 2263 PWs) bands (ev): -53.5700 -53.5700 -27.9977 -27.9977 -27.2274 -27.2274 -27.0890 -27.0890 1.3815 1.3815 6.4961 6.4961 6.6171 6.6171 7.3245 7.3245 7.5195 7.5195 8.5046 8.5046 8.8904 8.8904 11.5027 11.5027 11.6456 11.6456 11.8077 11.8077 12.5396 12.5396 k = 0.0000 0.0000 0.5489 ( 2263 PWs) bands (ev): -53.5700 -53.5700 -27.9979 -27.9979 -27.2277 -27.2277 -27.0891 -27.0891 1.4799 1.4799 6.4351 6.4351 6.5870 6.5870 7.2290 7.2290 7.4924 7.4924 8.5185 8.5185 8.8929 8.8929 11.4347 11.4347 11.6263 11.6263 11.8521 11.8521 12.4876 12.4876 k = 0.0000 0.0000 0.5646 ( 2263 PWs) bands (ev): -53.5700 -53.5700 -27.9982 -27.9982 -27.2281 -27.2281 -27.0891 -27.0891 1.5806 1.5806 6.3763 6.3763 6.5577 6.5577 7.1324 7.1324 7.4662 7.4662 8.5269 8.5269 8.8955 8.8955 11.3657 11.3657 11.6068 11.6068 11.8986 11.8986 12.4484 12.4484 k = 0.0000 0.0000 0.5803 ( 2261 PWs) bands (ev): -53.5699 -53.5699 -27.9984 -27.9984 -27.2284 -27.2284 -27.0892 -27.0892 1.6837 1.6837 6.3196 6.3196 6.5291 6.5291 7.0349 7.0349 7.4411 7.4411 8.5287 8.5287 8.8983 8.8983 11.2991 11.2991 11.5873 11.5873 11.9471 11.9471 12.4193 12.4194 k = 0.0000 0.0000 0.5960 ( 2261 PWs) bands (ev): -53.5699 -53.5699 -27.9986 -27.9986 -27.2287 -27.2287 -27.0892 -27.0892 1.7890 1.7890 6.2653 6.2653 6.5014 6.5014 6.9367 6.9367 7.4170 7.4170 8.5230 8.5230 8.9012 8.9012 11.2380 11.2380 11.5678 11.5678 11.9973 11.9973 12.3982 12.3982 k = 0.0000 0.0000 0.6116 ( 2261 PWs) bands (ev): -53.5699 -53.5699 -27.9988 -27.9988 -27.2291 -27.2291 -27.0892 -27.0892 1.8965 1.8965 6.2132 6.2132 6.4747 6.4747 6.8377 6.8377 7.3939 7.3939 8.5094 8.5094 8.9042 8.9042 11.1846 11.1846 11.5485 11.5485 12.0490 12.0490 12.3830 12.3831 k = 0.0000 0.0000 0.6273 ( 2261 PWs) bands (ev): -53.5699 -53.5699 -27.9990 -27.9990 -27.2294 -27.2294 -27.0893 -27.0893 2.0060 2.0060 6.1634 6.1634 6.4489 6.4489 6.7378 6.7378 7.3719 7.3719 8.4876 8.4876 8.9073 8.9073 11.1404 11.1404 11.5295 11.5295 12.1021 12.1021 12.3724 12.3724 k = 0.0000 0.0000 0.6430 ( 2265 PWs) bands (ev): -53.5698 -53.5698 -27.9992 -27.9992 -27.2297 -27.2297 -27.0893 -27.0893 2.1177 2.1177 6.1160 6.1160 6.4241 6.4241 6.6370 6.6370 7.3510 7.3510 8.4580 8.4580 8.9105 8.9105 11.1064 11.1064 11.5109 11.5109 12.1562 12.1562 12.3651 12.3651 k = 0.0000 0.0000 0.6587 ( 2269 PWs) bands (ev): -53.5698 -53.5698 -27.9994 -27.9994 -27.2300 -27.2300 -27.0894 -27.0894 2.2312 2.2312 6.0710 6.0710 6.4005 6.4005 6.5349 6.5349 7.3311 7.3311 8.4212 8.4212 8.9138 8.9138 11.0827 11.0827 11.4927 11.4927 12.2112 12.2112 12.3603 12.3603 k = 0.0000 0.0000 0.6744 ( 2261 PWs) bands (ev): -53.5698 -53.5698 -27.9996 -27.9996 -27.2303 -27.2303 -27.0894 -27.0894 2.3466 2.3466 6.0284 6.0284 6.3779 6.3779 6.4316 6.4316 7.3124 7.3124 8.3782 8.3782 8.9172 8.9172 11.0689 11.0689 11.4752 11.4752 12.2665 12.2665 12.3577 12.3577 k = 0.0000 0.0000 0.6901 ( 2257 PWs) bands (ev): -53.5697 -53.5697 -27.9998 -27.9998 -27.2305 -27.2305 -27.0894 -27.0894 2.4637 2.4637 5.9883 5.9883 6.3268 6.3268 6.3565 6.3565 7.2947 7.2947 8.3302 8.3302 8.9206 8.9206 11.0642 11.0642 11.4583 11.4583 12.3210 12.3210 12.3577 12.3577 k = 0.0000 0.0000 0.7057 ( 2253 PWs) bands (ev): -53.5697 -53.5697 -27.9999 -27.9999 -27.2308 -27.2308 -27.0895 -27.0895 2.5824 2.5824 5.9506 5.9506 6.2203 6.2203 6.3364 6.3364 7.2782 7.2782 8.2786 8.2786 8.9240 8.9240 11.0674 11.0674 11.4422 11.4422 12.3509 12.3509 12.3832 12.3832 k = 0.0000 0.0000 0.7214 ( 2257 PWs) bands (ev): -53.5697 -53.5697 -28.0001 -28.0001 -27.2310 -27.2310 -27.0895 -27.0895 2.7025 2.7025 5.9155 5.9155 6.1122 6.1122 6.3174 6.3174 7.2628 7.2628 8.2248 8.2248 8.9274 8.9274 11.0774 11.0774 11.4268 11.4268 12.3530 12.3530 12.4371 12.4371 k = 0.0000 0.0000 0.7371 ( 2257 PWs) bands (ev): -53.5697 -53.5697 -28.0002 -28.0002 -27.2312 -27.2312 -27.0895 -27.0895 2.8239 2.8239 5.8829 5.8829 6.0023 6.0023 6.2997 6.2997 7.2486 7.2486 8.1701 8.1701 8.9307 8.9307 11.0928 11.0928 11.4123 11.4123 12.3539 12.3539 12.4920 12.4920 k = 0.0000 0.0000 0.7528 ( 2257 PWs) bands (ev): -53.5697 -53.5697 -28.0004 -28.0004 -27.2314 -27.2314 -27.0895 -27.0895 2.9464 2.9464 5.8528 5.8528 5.8907 5.8907 6.2834 6.2834 7.2354 7.2354 8.1160 8.1160 8.9339 8.9339 11.1123 11.1123 11.3987 11.3987 12.3549 12.3549 12.5461 12.5461 k = 0.0000 0.0000 0.7685 ( 2257 PWs) bands (ev): -53.5696 -53.5696 -28.0005 -28.0005 -27.2316 -27.2316 -27.0896 -27.0896 3.0697 3.0697 5.7775 5.7775 5.8253 5.8253 6.2683 6.2683 7.2234 7.2234 8.0635 8.0635 8.9370 8.9370 11.1345 11.1345 11.3861 11.3861 12.3560 12.3560 12.5989 12.5989 k = 0.0000 0.0000 0.7842 ( 2251 PWs) bands (ev): -53.5696 -53.5696 -28.0006 -28.0006 -27.2318 -27.2318 -27.0896 -27.0896 3.1934 3.1934 5.6628 5.6628 5.8004 5.8004 6.2547 6.2547 7.2126 7.2126 8.0137 8.0137 8.9399 8.9399 11.1582 11.1582 11.3746 11.3746 12.3572 12.3572 12.6497 12.6497 k = 0.0000 0.0000 0.7998 ( 2256 PWs) bands (ev): -53.5696 -53.5696 -28.0007 -28.0007 -27.2320 -27.2320 -27.0896 -27.0896 3.3171 3.3171 5.5472 5.5472 5.7780 5.7780 6.2424 6.2424 7.2029 7.2029 7.9673 7.9673 8.9426 8.9426 11.1825 11.1825 11.3642 11.3642 12.3583 12.3583 12.6978 12.6978 k = 0.0000 0.0000 0.8155 ( 2248 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2321 -27.2321 -27.0896 -27.0896 3.4403 3.4403 5.4310 5.4310 5.7583 5.7583 6.2315 6.2315 7.1943 7.1943 7.9251 7.9251 8.9451 8.9451 11.2061 11.2061 11.3549 11.3549 12.3595 12.3595 12.7423 12.7423 k = 0.0000 0.0000 0.8312 ( 2248 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2322 -27.2322 -27.0896 -27.0896 3.5621 3.5621 5.3153 5.3153 5.7411 5.7411 6.2220 6.2220 7.1869 7.1869 7.8876 7.8876 8.9473 8.9473 11.2284 11.2284 11.3467 11.3467 12.3606 12.3606 12.7645 12.7645 k = 0.0000 0.0000 0.8469 ( 2252 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2323 -27.2323 -27.0896 -27.0896 3.6810 3.6810 5.2013 5.2013 5.7266 5.7266 6.2140 6.2140 7.1806 7.1806 7.8552 7.8552 8.9492 8.9492 11.2485 11.2485 11.3398 11.3398 12.3615 12.3615 12.7646 12.7646 k = 0.0000 0.0000 0.8626 ( 2252 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2324 -27.2324 -27.0897 -27.0897 3.7950 3.7950 5.0913 5.0913 5.7147 5.7147 6.2073 6.2073 7.1754 7.1754 7.8284 7.8284 8.9507 8.9507 11.2658 11.2658 11.3341 11.3341 12.3624 12.3624 12.7643 12.7643 k = 0.0000 0.0000 0.8783 ( 2254 PWs) bands (ev): -53.5695 -53.5695 -28.0010 -28.0010 -27.2325 -27.2325 -27.0897 -27.0897 3.9004 3.9004 4.9889 4.9889 5.7055 5.7055 6.2022 6.2022 7.1714 7.1714 7.8073 7.8073 8.9520 8.9520 11.2797 11.2797 11.3296 11.3296 12.3630 12.3630 12.7641 12.7641 k = 0.0000 0.0000 0.8939 ( 2256 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 3.9907 3.9907 4.9008 4.9008 5.6989 5.6989 6.1985 6.1985 7.1686 7.1686 7.7921 7.7921 8.9529 8.9529 11.2900 11.2900 11.3264 11.3264 12.3635 12.3635 12.7638 12.7638 k = 0.0000 0.0000 0.9096 ( 2260 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0547 4.0547 4.8380 4.8380 5.6949 5.6949 6.1963 6.1963 7.1668 7.1668 7.7829 7.7829 8.9535 8.9535 11.2963 11.2963 11.3244 11.3244 12.3638 12.3638 12.7637 12.7637 k = 0.0000 0.0000 0.9253 ( 2260 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0785 4.0785 4.8146 4.8146 5.6936 5.6936 6.1956 6.1956 7.1663 7.1663 7.7799 7.7799 8.9537 8.9537 11.2984 11.2984 11.3238 11.3238 12.3639 12.3639 12.7637 12.7637 k = 0.0000 0.0000 0.9253 ( 2260 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0785 4.0785 4.8146 4.8146 5.6936 5.6936 6.1956 6.1956 7.1663 7.1663 7.7799 7.7799 8.9537 8.9537 11.2984 11.2984 11.3238 11.3238 12.3639 12.3639 12.7637 12.7637 k =-0.0079 0.0123 0.9253 ( 2256 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0790 4.0790 4.8156 4.8156 5.6593 5.6593 6.2315 6.2315 7.1502 7.1502 7.7949 7.7949 8.9544 8.9544 11.3001 11.3001 11.3229 11.3229 12.3667 12.3667 12.7374 12.7374 k =-0.0159 0.0247 0.9253 ( 2260 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0804 4.0804 4.8187 4.8187 5.5759 5.5759 6.3198 6.3198 7.1061 7.1061 7.8357 7.8357 8.9565 8.9565 11.3051 11.3051 11.3201 11.3201 12.3752 12.3752 12.6849 12.6849 k =-0.0238 0.0370 0.9253 ( 2262 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2325 -27.2325 -27.0897 -27.0897 4.0828 4.0828 4.8237 4.8237 5.4698 5.4698 6.4341 6.4341 7.0425 7.0425 7.8940 7.8940 8.9602 8.9602 11.3131 11.3131 11.3155 11.3155 12.3895 12.3895 12.6267 12.6267 k =-0.0317 0.0494 0.9253 ( 2260 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2324 -27.2324 -27.0897 -27.0897 4.0859 4.0859 4.8308 4.8308 5.3543 5.3543 6.5610 6.5610 6.9667 6.9667 7.9624 7.9624 8.9652 8.9652 11.3091 11.3091 11.3239 11.3239 12.4100 12.4100 12.5681 12.5681 k =-0.0397 0.0617 0.9253 ( 2260 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2323 -27.2323 -27.0897 -27.0897 4.0898 4.0898 4.8399 4.8399 5.2351 5.2351 6.6949 6.6949 6.8840 6.8840 8.0361 8.0361 8.9717 8.9717 11.3010 11.3010 11.3369 11.3369 12.4370 12.4370 12.5106 12.5106 k =-0.0476 0.0741 0.9253 ( 2260 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2323 -27.2323 -27.0897 -27.0897 4.0942 4.0942 4.8510 4.8510 5.1145 5.1145 6.7972 6.7972 6.8334 6.8334 8.1122 8.1122 8.9796 8.9796 11.2913 11.2913 11.3514 11.3514 12.4531 12.4531 12.4726 12.4726 k =-0.0555 0.0864 0.9253 ( 2260 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2322 -27.2322 -27.0897 -27.0897 4.0990 4.0990 4.8640 4.8640 4.9940 4.9940 6.7089 6.7089 6.9747 6.9747 8.1888 8.1888 8.9890 8.9890 11.2800 11.2800 11.3668 11.3668 12.4001 12.4001 12.5134 12.5134 k =-0.0634 0.0988 0.9253 ( 2258 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2320 -27.2320 -27.0897 -27.0897 4.1039 4.1039 4.8728 4.8728 4.8805 4.8805 6.6201 6.6201 7.1185 7.1185 8.2649 8.2649 8.9997 8.9997 11.2673 11.2673 11.3825 11.3825 12.3483 12.3483 12.5632 12.5632 k =-0.0714 0.1111 0.9253 ( 2266 PWs) bands (ev): -53.5696 -53.5696 -28.0007 -28.0007 -27.2319 -27.2319 -27.0897 -27.0897 4.1087 4.1087 4.7551 4.7551 4.8964 4.8964 6.5322 6.5322 7.2641 7.2641 8.3398 8.3398 9.0118 9.0118 11.2532 11.2532 11.3977 11.3977 12.2990 12.2990 12.6215 12.6215 k =-0.0793 0.1235 0.9253 ( 2266 PWs) bands (ev): -53.5696 -53.5696 -28.0006 -28.0006 -27.2317 -27.2317 -27.0897 -27.0897 4.1130 4.1130 4.6377 4.6377 4.9155 4.9155 6.4461 6.4461 7.4111 7.4111 8.4131 8.4131 9.0253 9.0253 11.2379 11.2379 11.4120 11.4120 12.2521 12.2521 12.6887 12.6887 k =-0.0872 0.1358 0.9253 ( 2270 PWs) bands (ev): -53.5696 -53.5696 -28.0005 -28.0005 -27.2316 -27.2316 -27.0896 -27.0896 4.1165 4.1165 4.5218 4.5218 4.9366 4.9366 6.3626 6.3626 7.5593 7.5593 8.4844 8.4844 9.0401 9.0401 11.2214 11.2214 11.4248 11.4248 12.2080 12.2080 12.7648 12.7648 k =-0.0952 0.1482 0.9253 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0004 -28.0004 -27.2314 -27.2314 -27.0896 -27.0896 4.1187 4.1187 4.4075 4.4075 4.9597 4.9597 6.2827 6.2827 7.7083 7.7083 8.5537 8.5537 9.0563 9.0563 11.2039 11.2039 11.4358 11.4358 12.1668 12.1668 12.8500 12.8500 k =-0.1031 0.1605 0.9253 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0003 -28.0003 -27.2312 -27.2312 -27.0896 -27.0896 4.1190 4.1190 4.2951 4.2951 4.9847 4.9847 6.2070 6.2070 7.8578 7.8578 8.6208 8.6208 9.0738 9.0738 11.1854 11.1854 11.4448 11.4448 12.1288 12.1288 12.9440 12.9440 k =-0.1031 0.1605 0.9253 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0003 -28.0003 -27.2312 -27.2312 -27.0896 -27.0896 4.1190 4.1190 4.2951 4.2951 4.9847 4.9847 6.2070 6.2070 7.8578 7.8578 8.6208 8.6208 9.0738 9.0738 11.1854 11.1854 11.4448 11.4448 12.1288 12.1288 12.9440 12.9440 k =-0.1091 0.1699 0.9142 ( 2269 PWs) bands (ev): -53.5697 -53.5697 -28.0002 -28.0002 -27.2310 -27.2310 -27.0896 -27.0896 4.1102 4.1102 4.2116 4.2116 5.0098 5.0098 6.1569 6.1569 7.9716 7.9716 8.6706 8.6706 9.0878 9.0878 11.1712 11.1712 11.4496 11.4496 12.1019 12.1019 13.0209 13.0209 k =-0.1151 0.1793 0.9030 ( 2271 PWs) bands (ev): -53.5697 -53.5697 -28.0000 -28.0000 -27.2309 -27.2309 -27.0896 -27.0896 4.0870 4.0870 4.1305 4.1305 5.0411 5.0411 6.1198 6.1198 8.0860 8.0860 8.7195 8.7195 9.1023 9.1023 11.1575 11.1575 11.4524 11.4524 12.0768 12.0768 13.1021 13.1021 k =-0.1211 0.1886 0.8919 ( 2267 PWs) bands (ev): -53.5697 -53.5697 -27.9999 -27.9999 -27.2307 -27.2307 -27.0896 -27.0896 4.0503 4.0503 4.0550 4.0550 5.0712 5.0712 6.0994 6.0994 8.2006 8.2006 8.7672 8.7672 9.1174 9.1174 11.1445 11.1445 11.4534 11.4534 12.0537 12.0537 13.1873 13.1873 k =-0.1272 0.1980 0.8808 ( 2267 PWs) bands (ev): -53.5697 -53.5697 -27.9998 -27.9998 -27.2305 -27.2305 -27.0896 -27.0896 3.9751 3.9751 4.0133 4.0133 5.0936 5.0936 6.0991 6.0991 8.3151 8.3151 8.8137 8.8137 9.1330 9.1330 11.1323 11.1323 11.4528 11.4528 12.0329 12.0329 13.2762 13.2762 k =-0.1332 0.2074 0.8697 ( 2261 PWs) bands (ev): -53.5698 -53.5698 -27.9997 -27.9997 -27.2303 -27.2303 -27.0896 -27.0896 3.9012 3.9012 3.9681 3.9681 5.1033 5.1033 6.1212 6.1212 8.4292 8.4292 8.8586 8.8586 9.1492 9.1492 11.1211 11.1211 11.4510 11.4510 12.0146 12.0146 13.3685 13.3685 k =-0.1392 0.2167 0.8585 ( 2263 PWs) bands (ev): -53.5698 -53.5698 -27.9995 -27.9995 -27.2301 -27.2301 -27.0896 -27.0896 3.8297 3.8297 3.9204 3.9204 5.0988 5.0988 6.1657 6.1657 8.5422 8.5422 8.9017 8.9017 9.1662 9.1662 11.1110 11.1110 11.4481 11.4481 11.9993 11.9993 13.4637 13.4637 k =-0.1452 0.2261 0.8474 ( 2259 PWs) bands (ev): -53.5698 -53.5698 -27.9994 -27.9994 -27.2298 -27.2298 -27.0896 -27.0896 3.7606 3.7606 3.8712 3.8712 5.0807 5.0807 6.2304 6.2304 8.6535 8.6535 8.9429 8.9429 9.1842 9.1842 11.1024 11.1024 11.4444 11.4444 11.9872 11.9872 13.5613 13.5613 k =-0.1512 0.2355 0.8363 ( 2257 PWs) bands (ev): -53.5698 -53.5698 -27.9992 -27.9992 -27.2296 -27.2296 -27.0896 -27.0896 3.6939 3.6939 3.8216 3.8216 5.0518 5.0518 6.3118 6.3118 8.7621 8.7621 8.9821 8.9821 9.2037 9.2037 11.0953 11.0953 11.4402 11.4402 11.9787 11.9787 13.6606 13.6606 k =-0.1572 0.2448 0.8251 ( 2256 PWs) bands (ev): -53.5698 -53.5698 -27.9991 -27.9991 -27.2294 -27.2294 -27.0896 -27.0896 3.6298 3.6298 3.7721 3.7721 5.0148 5.0148 6.4065 6.4065 8.8666 8.8666 9.0191 9.0191 9.2258 9.2258 11.0899 11.0899 11.4356 11.4356 11.9741 11.9741 13.7606 13.7606 k =-0.1632 0.2542 0.8140 ( 2260 PWs) bands (ev): -53.5699 -53.5699 -27.9989 -27.9989 -27.2291 -27.2291 -27.0895 -27.0895 3.5682 3.5682 3.7233 3.7233 4.9723 4.9723 6.5111 6.5111 8.9644 8.9644 9.0538 9.0538 9.2523 9.2523 11.0864 11.0864 11.4310 11.4310 11.9739 11.9739 13.8599 13.8599 k =-0.1693 0.2636 0.8029 ( 2257 PWs) bands (ev): -53.5699 -53.5699 -27.9988 -27.9988 -27.2289 -27.2289 -27.0895 -27.0895 3.5091 3.5091 3.6756 3.6756 4.9264 4.9264 6.6232 6.6232 9.0505 9.0505 9.0868 9.0868 9.2871 9.2871 11.0848 11.0848 11.4265 11.4265 11.9784 11.9784 13.9548 13.9548 k =-0.1753 0.2729 0.7918 ( 2255 PWs) bands (ev): -53.5699 -53.5699 -27.9986 -27.9986 -27.2286 -27.2286 -27.0895 -27.0895 3.4525 3.4525 3.6291 3.6291 4.8788 4.8788 6.7408 6.7408 9.1102 9.1102 9.1266 9.1266 9.3356 9.3356 11.0852 11.0852 11.4226 11.4226 11.9879 11.9879 14.0354 14.0354 k =-0.1813 0.2823 0.7806 ( 2254 PWs) bands (ev): -53.5699 -53.5699 -27.9985 -27.9985 -27.2284 -27.2284 -27.0895 -27.0895 3.3985 3.3985 3.5841 3.5841 4.8304 4.8304 6.8624 6.8624 9.1397 9.1397 9.1739 9.1739 9.4002 9.4002 11.0875 11.0875 11.4194 11.4194 12.0029 12.0029 14.0809 14.0809 k =-0.1873 0.2916 0.7695 ( 2252 PWs) bands (ev): -53.5700 -53.5700 -27.9983 -27.9983 -27.2281 -27.2281 -27.0895 -27.0895 3.3471 3.3471 3.5408 3.5408 4.7821 4.7821 6.9867 6.9867 9.1641 9.1641 9.2080 9.2080 9.4760 9.4760 11.0917 11.0917 11.4175 11.4175 12.0236 12.0236 14.0901 14.0901 k =-0.1933 0.3010 0.7584 ( 2250 PWs) bands (ev): -53.5700 -53.5700 -27.9981 -27.9981 -27.2279 -27.2279 -27.0895 -27.0895 3.2982 3.2982 3.4993 3.4993 4.7347 4.7347 7.1129 7.1129 9.1853 9.1853 9.2331 9.2331 9.5560 9.5560 11.0975 11.0975 11.4173 11.4173 12.0503 12.0503 14.0834 14.0834 k =-0.1993 0.3104 0.7472 ( 2252 PWs) bands (ev): -53.5700 -53.5700 -27.9980 -27.9980 -27.2276 -27.2276 -27.0894 -27.0894 3.2520 3.2520 3.4597 3.4597 4.6885 4.6885 7.2399 7.2399 9.2036 9.2036 9.2531 9.2531 9.6357 9.6357 11.1045 11.1045 11.4194 11.4194 12.0832 12.0832 14.0706 14.0706 k =-0.2053 0.3197 0.7361 ( 2250 PWs) bands (ev): -53.5700 -53.5700 -27.9978 -27.9978 -27.2274 -27.2274 -27.0894 -27.0894 3.2083 3.2083 3.4221 3.4221 4.6439 4.6439 7.3670 7.3670 9.2190 9.2190 9.2699 9.2699 9.7125 9.7125 11.1123 11.1123 11.4246 11.4246 12.1224 12.1224 14.0549 14.0549 k =-0.2113 0.3291 0.7250 ( 2244 PWs) bands (ev): -53.5700 -53.5700 -27.9977 -27.9977 -27.2272 -27.2272 -27.0894 -27.0894 3.1672 3.1672 3.3865 3.3865 4.6012 4.6012 7.4935 7.4935 9.2316 9.2316 9.2847 9.2847 9.7849 9.7849 11.1201 11.1201 11.4335 11.4335 12.1676 12.1676 14.0376 14.0376 k =-0.2174 0.3385 0.7139 ( 2248 PWs) bands (ev): -53.5701 -53.5701 -27.9976 -27.9976 -27.2269 -27.2269 -27.0894 -27.0894 3.1288 3.1288 3.3530 3.3530 4.5606 4.5606 7.6186 7.6186 9.2414 9.2414 9.2979 9.2979 9.8523 9.8523 11.1274 11.1274 11.4471 11.4471 12.2185 12.2185 14.0195 14.0195 k =-0.2234 0.3478 0.7027 ( 2250 PWs) bands (ev): -53.5701 -53.5701 -27.9974 -27.9974 -27.2267 -27.2267 -27.0894 -27.0894 3.0930 3.0930 3.3216 3.3216 4.5222 4.5222 7.7417 7.7417 9.2483 9.2483 9.3098 9.3098 9.9140 9.9140 11.1335 11.1335 11.4659 11.4659 12.2748 12.2748 14.0009 14.0009 k =-0.2294 0.3572 0.6916 ( 2247 PWs) bands (ev): -53.5701 -53.5701 -27.9973 -27.9973 -27.2265 -27.2265 -27.0893 -27.0893 3.0598 3.0598 3.2925 3.2925 4.4864 4.4864 7.8621 7.8621 9.2526 9.2526 9.3206 9.3206 9.9700 9.9700 11.1380 11.1380 11.4904 11.4904 12.3356 12.3356 13.9823 13.9823 k =-0.2354 0.3666 0.6805 ( 2247 PWs) bands (ev): -53.5701 -53.5701 -27.9972 -27.9972 -27.2263 -27.2263 -27.0893 -27.0893 3.0292 3.0292 3.2655 3.2655 4.4530 4.4530 7.9790 7.9790 9.2541 9.2541 9.3304 9.3304 10.0201 10.0201 11.1408 11.1408 11.5208 11.5208 12.4001 12.4001 13.9636 13.9636 k =-0.2414 0.3759 0.6693 ( 2249 PWs) bands (ev): -53.5701 -53.5701 -27.9971 -27.9971 -27.2262 -27.2262 -27.0893 -27.0893 3.0013 3.0013 3.2409 3.2409 4.4223 4.4223 8.0916 8.0916 9.2530 9.2530 9.3392 9.3392 10.0646 10.0646 11.1419 11.1419 11.5568 11.5568 12.4670 12.4670 13.9451 13.9451 k =-0.2474 0.3853 0.6582 ( 2243 PWs) bands (ev): -53.5702 -53.5702 -27.9970 -27.9970 -27.2260 -27.2260 -27.0893 -27.0893 2.9760 2.9760 3.2185 3.2185 4.3944 4.3944 8.1994 8.1994 9.2492 9.2492 9.3472 9.3472 10.1037 10.1037 11.1416 11.1416 11.5981 11.5981 12.5350 12.5350 13.9263 13.9263 k =-0.2534 0.3947 0.6471 ( 2245 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0893 -27.0893 2.9533 2.9533 3.1984 3.1984 4.3692 4.3692 8.3014 8.3014 9.2428 9.2428 9.3542 9.3542 10.1375 10.1375 11.1402 11.1402 11.6436 11.6436 12.6025 12.6025 13.9066 13.9066 k =-0.2595 0.4040 0.6360 ( 2247 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2257 -27.2257 -27.0893 -27.0893 2.9333 2.9333 3.1807 3.1807 4.3469 4.3469 8.3969 8.3969 9.2339 9.2339 9.3604 9.3604 10.1664 10.1664 11.1380 11.1380 11.6925 11.6925 12.6680 12.6680 13.8838 13.8838 k =-0.2655 0.4134 0.6248 ( 2251 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2256 -27.2256 -27.0893 -27.0893 2.9160 2.9160 3.1653 3.1653 4.3275 4.3275 8.4850 8.4850 9.2227 9.2227 9.3658 9.3658 10.1907 10.1907 11.1353 11.1353 11.7433 11.7433 12.7297 12.7297 13.8530 13.8530 k =-0.2715 0.4227 0.6137 ( 2249 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2255 -27.2255 -27.0892 -27.0892 2.9014 2.9014 3.1522 3.1522 4.3110 4.3110 8.5647 8.5647 9.2094 9.2094 9.3703 9.3703 10.2108 10.2108 11.1326 11.1326 11.7941 11.7941 12.7858 12.7858 13.8053 13.8053 k =-0.2775 0.4321 0.6026 ( 2247 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2254 -27.2254 -27.0892 -27.0892 2.8894 2.8894 3.1415 3.1415 4.2974 4.2974 8.6348 8.6348 9.1945 9.1945 9.3740 9.3740 10.2268 10.2268 11.1299 11.1299 11.8424 11.8424 12.8346 12.8346 13.7400 13.7400 k =-0.2835 0.4415 0.5914 ( 2245 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2254 -27.2254 -27.0892 -27.0892 2.8800 2.8800 3.1332 3.1332 4.2869 4.2869 8.6937 8.6937 9.1792 9.1792 9.3769 9.3769 10.2390 10.2390 11.1276 11.1276 11.8855 11.8855 12.8745 12.8745 13.6718 13.6718 k =-0.2895 0.4508 0.5803 ( 2239 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8733 2.8733 3.1272 3.1272 4.2793 4.2793 8.7393 8.7393 9.1651 9.1651 9.3789 9.3789 10.2475 10.2475 11.1259 11.1259 11.9198 11.9198 12.9040 12.9040 13.6151 13.6151 k =-0.2955 0.4602 0.5692 ( 2241 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8693 2.8693 3.1236 3.1236 4.2748 4.2748 8.7686 8.7686 9.1548 9.1548 9.3802 9.3802 10.2526 10.2526 11.1248 11.1248 11.9422 11.9422 12.9223 12.9223 13.5780 13.5780 k =-0.3016 0.4696 0.5581 ( 2236 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8680 2.8680 3.1224 3.1224 4.2733 4.2733 8.7789 8.7789 9.1509 9.1509 9.3807 9.3807 10.2542 10.2542 11.1245 11.1245 11.9500 11.9500 12.9285 12.9285 13.5651 13.5651 k =-0.3016 0.4696 0.5581 ( 2236 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8680 2.8680 3.1224 3.1224 4.2733 4.2733 8.7789 8.7789 9.1509 9.1509 9.3807 9.3807 10.2542 10.2542 11.1245 11.1245 11.9500 11.9500 12.9285 12.9285 13.5651 13.5651 k =-0.2956 0.4604 0.5471 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2254 -27.2254 -27.0892 -27.0892 2.9537 2.9537 3.0383 3.0383 4.3158 4.3158 8.7796 8.7796 9.1420 9.1420 9.3396 9.3396 10.2315 10.2315 11.1477 11.1477 12.0344 12.0344 12.8303 12.8303 13.5610 13.5610 k =-0.2897 0.4512 0.5362 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2256 -27.2256 -27.0892 -27.0892 2.9423 2.9423 3.0420 3.0420 4.3742 4.3742 8.7817 8.7817 9.1291 9.1291 9.2986 9.2986 10.2068 10.2068 11.1694 11.1694 12.1210 12.1210 12.7354 12.7354 13.5582 13.5582 k =-0.2838 0.4419 0.5252 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2257 -27.2257 -27.0892 -27.0892 2.8391 2.8391 3.1323 3.1323 4.4446 4.4446 8.7851 8.7851 9.1120 9.1120 9.2577 9.2577 10.1800 10.1800 11.1893 11.1893 12.2099 12.2099 12.6439 12.6439 13.5558 13.5558 k =-0.2779 0.4327 0.5143 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2258 -27.2258 -27.0892 -27.0892 2.7311 2.7311 3.2249 3.2249 4.5240 4.5240 8.7899 8.7899 9.0909 9.0909 9.2169 9.2169 10.1513 10.1513 11.2070 11.2070 12.3009 12.3009 12.5558 12.5558 13.5510 13.5510 k =-0.2720 0.4235 0.5033 ( 2258 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0891 -27.0891 2.6205 2.6205 3.3198 3.3198 4.6105 4.6105 8.7961 8.7961 9.0658 9.0658 9.1762 9.1762 10.1205 10.1205 11.2221 11.2221 12.3942 12.3942 12.4712 12.4712 13.5397 13.5397 k =-0.2661 0.4143 0.4924 ( 2260 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5085 2.5085 3.4168 3.4168 4.7026 4.7026 8.8037 8.8037 9.0369 9.0369 9.1357 9.1357 10.0879 10.0879 11.2343 11.2343 12.3901 12.3901 12.4896 12.4896 13.5198 13.5198 k =-0.2602 0.4051 0.4815 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.3961 2.3961 3.5160 3.5160 4.7994 4.7994 8.8128 8.8128 9.0043 9.0043 9.0954 9.0954 10.0535 10.0535 11.2433 11.2433 12.3126 12.3126 12.5872 12.5872 13.4941 13.4941 k =-0.2542 0.3959 0.4705 ( 2248 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.2841 2.2841 3.6173 3.6173 4.9001 4.9001 8.8235 8.8235 8.9684 8.9684 9.0553 9.0553 10.0173 10.0173 11.2487 11.2487 12.2387 12.2387 12.6869 12.6869 13.4667 13.4667 k =-0.2483 0.3867 0.4596 ( 2252 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.1728 2.1728 3.7207 3.7207 5.0041 5.0041 8.8356 8.8356 8.9294 8.9294 9.0154 9.0154 9.9796 9.9796 11.2504 11.2504 12.1685 12.1685 12.7887 12.7887 13.4403 13.4403 k =-0.2424 0.3775 0.4486 ( 2260 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0890 -27.0890 2.0628 2.0628 3.8262 3.8262 5.1112 5.1112 8.8493 8.8493 8.8876 8.8876 8.9758 8.9758 9.9405 9.9405 11.2483 11.2483 12.1019 12.1019 12.8924 12.8924 13.4160 13.4160 k =-0.2365 0.3683 0.4377 ( 2260 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0890 -27.0890 1.9542 1.9542 3.9336 3.9336 5.2208 5.2208 8.8428 8.8428 8.8649 8.8649 8.9365 8.9365 9.9000 9.9000 11.2424 11.2424 12.0389 12.0389 12.9980 12.9980 13.3944 13.3944 k =-0.2306 0.3591 0.4267 ( 2256 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2259 -27.2259 -27.0890 -27.0890 1.8473 1.8473 4.0430 4.0430 5.3327 5.3327 8.7962 8.7962 8.8816 8.8816 8.8975 8.8975 9.8585 9.8585 11.2329 11.2329 11.9797 11.9797 13.1053 13.1053 13.3758 13.3758 k =-0.2247 0.3499 0.4158 ( 2256 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2258 -27.2258 -27.0889 -27.0889 1.7423 1.7423 4.1542 4.1542 5.4466 5.4466 8.7476 8.7476 8.8588 8.8588 8.9002 8.9002 9.8159 9.8159 11.2198 11.2198 11.9243 11.9243 13.2142 13.2142 13.3601 13.3601 k =-0.2188 0.3407 0.4049 ( 2256 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2257 -27.2257 -27.0889 -27.0889 1.6392 1.6392 4.2673 4.2673 5.5623 5.5623 8.6972 8.6972 8.8205 8.8205 8.9203 8.9203 9.7725 9.7725 11.2036 11.2036 11.8725 11.8725 13.3239 13.3239 13.3477 13.3477 k =-0.2129 0.3315 0.3939 ( 2254 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2256 -27.2256 -27.0889 -27.0889 1.5383 1.5383 4.3821 4.3821 5.6795 5.6795 8.6454 8.6454 8.7827 8.7827 8.9420 8.9420 9.7285 9.7285 11.1845 11.1845 11.8244 11.8244 13.3370 13.3370 13.4354 13.4354 k =-0.2069 0.3223 0.3830 ( 2246 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2255 -27.2255 -27.0889 -27.0889 1.4395 1.4395 4.4986 4.4986 5.7980 5.7980 8.5926 8.5926 8.7454 8.7454 8.9655 8.9655 9.6840 9.6840 11.1631 11.1631 11.7801 11.7801 13.3294 13.3294 13.5457 13.5457 k =-0.2010 0.3130 0.3720 ( 2250 PWs) bands (ev): -53.5702 -53.5702 -27.9964 -27.9964 -27.2253 -27.2253 -27.0888 -27.0888 1.3431 1.3431 4.6167 4.6167 5.9176 5.9176 8.5389 8.5389 8.7087 8.7087 8.9905 8.9905 9.6391 9.6391 11.1398 11.1398 11.7395 11.7395 13.3242 13.3242 13.5441 13.5441 k =-0.1951 0.3038 0.3611 ( 2250 PWs) bands (ev): -53.5703 -53.5703 -27.9963 -27.9963 -27.2251 -27.2251 -27.0888 -27.0888 1.2490 1.2490 4.7363 4.7363 6.0381 6.0381 8.4846 8.4846 8.6726 8.6726 9.0172 9.0172 9.5941 9.5941 11.1151 11.1151 11.7026 11.7026 13.3209 13.3209 13.5312 13.5312 k =-0.1892 0.2946 0.3502 ( 2248 PWs) bands (ev): -53.5703 -53.5703 -27.9962 -27.9962 -27.2249 -27.2249 -27.0888 -27.0888 1.1573 1.1573 4.8573 4.8573 6.1591 6.1591 8.4300 8.4300 8.6372 8.6372 9.0456 9.0456 9.5491 9.5491 11.0896 11.0896 11.6694 11.6694 13.3195 13.3195 13.5201 13.5201 k =-0.1833 0.2854 0.3392 ( 2248 PWs) bands (ev): -53.5703 -53.5703 -27.9960 -27.9960 -27.2247 -27.2247 -27.0887 -27.0887 1.0681 1.0681 4.9795 4.9795 6.2804 6.2804 8.3752 8.3752 8.6025 8.6025 9.0756 9.0756 9.5042 9.5042 11.0639 11.0639 11.6399 11.6399 13.3197 13.3197 13.5107 13.5107 k =-0.1774 0.2762 0.3283 ( 2244 PWs) bands (ev): -53.5703 -53.5703 -27.9959 -27.9959 -27.2245 -27.2245 -27.0887 -27.0887 0.9813 0.9813 5.1029 5.1029 6.4018 6.4018 8.3207 8.3207 8.5688 8.5688 9.1073 9.1073 9.4596 9.4596 11.0384 11.0384 11.6140 11.6140 13.3214 13.3214 13.5028 13.5028 k =-0.1715 0.2670 0.3173 ( 2244 PWs) bands (ev): -53.5703 -53.5703 -27.9957 -27.9957 -27.2243 -27.2243 -27.0886 -27.0886 0.8972 0.8972 5.2272 5.2272 6.5228 6.5228 8.2664 8.2664 8.5360 8.5360 9.1405 9.1405 9.4154 9.4154 11.0137 11.0137 11.5918 11.5918 13.3242 13.3242 13.4963 13.4963 k =-0.1656 0.2578 0.3064 ( 2246 PWs) bands (ev): -53.5703 -53.5703 -27.9956 -27.9956 -27.2240 -27.2240 -27.0886 -27.0886 0.8156 0.8156 5.3523 5.3523 6.6431 6.6431 8.2128 8.2128 8.5043 8.5043 9.1754 9.1754 9.3718 9.3718 10.9904 10.9904 11.5731 11.5731 13.3280 13.3280 13.4910 13.4910 k =-0.1596 0.2486 0.2954 ( 2254 PWs) bands (ev): -53.5704 -53.5704 -27.9954 -27.9954 -27.2238 -27.2238 -27.0886 -27.0886 0.7367 0.7367 5.4781 5.4781 6.7624 6.7624 8.1599 8.1599 8.4738 8.4738 9.2118 9.2118 9.3289 9.3289 10.9690 10.9690 11.5581 11.5581 13.3326 13.3326 13.4868 13.4868 k =-0.1537 0.2394 0.2845 ( 2252 PWs) bands (ev): -53.5704 -53.5704 -27.9952 -27.9952 -27.2235 -27.2235 -27.0885 -27.0885 0.6604 0.6604 5.6042 5.6042 6.8802 6.8802 8.1080 8.1080 8.4447 8.4447 9.2491 9.2491 9.2873 9.2873 10.9502 10.9502 11.5466 11.5466 13.3379 13.3379 13.4835 13.4835 k =-0.1478 0.2302 0.2736 ( 2244 PWs) bands (ev): -53.5704 -53.5704 -27.9950 -27.9950 -27.2232 -27.2232 -27.0885 -27.0885 0.5868 0.5868 5.7305 5.7305 6.9960 6.9960 8.0573 8.0573 8.4170 8.4170 9.2441 9.2441 9.2907 9.2907 10.9343 10.9343 11.5387 11.5387 13.3438 13.3438 13.4812 13.4812 k =-0.1419 0.2210 0.2626 ( 2248 PWs) bands (ev): -53.5704 -53.5704 -27.9949 -27.9949 -27.2230 -27.2230 -27.0885 -27.0885 0.5158 0.5158 5.8566 5.8566 7.1092 7.1092 8.0081 8.0081 8.3911 8.3911 9.2042 9.2042 9.3313 9.3313 10.9220 10.9220 11.5343 11.5343 13.3500 13.3500 13.4795 13.4795 k =-0.1360 0.2118 0.2517 ( 2246 PWs) bands (ev): -53.5705 -53.5705 -27.9947 -27.9947 -27.2227 -27.2227 -27.0884 -27.0884 0.4477 0.4477 5.9821 5.9821 7.2191 7.2191 7.9609 7.9609 8.3670 8.3670 9.1650 9.1650 9.3739 9.3739 10.9138 10.9138 11.5333 11.5333 13.3566 13.3566 13.4784 13.4784 k =-0.1301 0.2026 0.2407 ( 2252 PWs) bands (ev): -53.5705 -53.5705 -27.9945 -27.9945 -27.2224 -27.2224 -27.0884 -27.0884 0.3822 0.3822 6.1068 6.1068 7.3247 7.3247 7.9161 7.9161 8.3450 8.3450 9.1269 9.1269 9.4180 9.4180 10.9102 10.9102 11.5359 11.5359 13.3633 13.3633 13.4444 13.4445 k =-0.1242 0.1934 0.2298 ( 2248 PWs) bands (ev): -53.5705 -53.5705 -27.9943 -27.9943 -27.2221 -27.2221 -27.0883 -27.0883 0.3196 0.3196 6.2301 6.2301 7.4246 7.4246 7.8749 7.8749 8.3255 8.3255 9.0900 9.0900 9.4635 9.4635 10.9116 10.9116 11.5420 11.5420 13.3370 13.3370 13.3704 13.3704 k =-0.1183 0.1841 0.2188 ( 2248 PWs) bands (ev): -53.5705 -53.5705 -27.9941 -27.9941 -27.2218 -27.2218 -27.0883 -27.0883 0.2597 0.2597 6.3515 6.3515 7.5156 7.5156 7.8399 7.8399 8.3086 8.3086 9.0543 9.0543 9.5104 9.5104 10.9185 10.9185 11.5515 11.5515 13.2300 13.2300 13.3771 13.3771 k =-0.1123 0.1749 0.2079 ( 2244 PWs) bands (ev): -53.5706 -53.5706 -27.9939 -27.9939 -27.2215 -27.2215 -27.0883 -27.0883 0.2027 0.2027 6.4703 6.4703 7.5904 7.5904 7.8182 7.8182 8.2948 8.2948 9.0201 9.0201 9.5585 9.5585 10.9313 10.9313 11.5646 11.5646 13.1237 13.1237 13.3838 13.3838 k =-0.1064 0.1657 0.1970 ( 2248 PWs) bands (ev): -53.5706 -53.5706 -27.9937 -27.9937 -27.2213 -27.2213 -27.0882 -27.0882 0.1485 0.1485 6.5859 6.5859 7.6320 7.6320 7.8262 7.8262 8.2845 8.2845 8.9872 8.9872 9.6079 9.6079 10.9503 10.9503 11.5812 11.5812 13.0186 13.0186 13.3904 13.3904 k =-0.1005 0.1565 0.1860 ( 2252 PWs) bands (ev): -53.5706 -53.5706 -27.9936 -27.9936 -27.2210 -27.2210 -27.0882 -27.0882 0.0971 0.0971 6.6974 6.6974 7.6328 7.6328 7.8714 7.8714 8.2782 8.2782 8.9559 8.9559 9.6583 9.6583 10.9756 10.9756 11.6012 11.6012 12.9150 12.9150 13.3966 13.3966 k =-0.0946 0.1473 0.1751 ( 2256 PWs) bands (ev): -53.5707 -53.5707 -27.9934 -27.9934 -27.2207 -27.2207 -27.0881 -27.0881 0.0486 0.0486 6.8039 6.8039 7.6120 7.6120 7.9342 7.9342 8.2764 8.2764 8.9261 8.9261 9.7097 9.7097 11.0073 11.0073 11.6248 11.6248 12.8132 12.8132 13.4022 13.4022 k =-0.0887 0.1381 0.1641 ( 2246 PWs) bands (ev): -53.5707 -53.5707 -27.9932 -27.9932 -27.2204 -27.2204 -27.0881 -27.0881 0.0030 0.0030 6.9044 6.9044 7.5844 7.5844 7.9996 7.9996 8.2798 8.2798 8.8979 8.8979 9.7619 9.7619 11.0454 11.0454 11.6520 11.6520 12.7133 12.7133 13.4004 13.4005 k =-0.0828 0.1289 0.1532 ( 2242 PWs) bands (ev): -53.5707 -53.5707 -27.9931 -27.9931 -27.2202 -27.2202 -27.0881 -27.0881 -0.0398 -0.0398 6.9978 6.9978 7.5551 7.5551 8.0624 8.0624 8.2887 8.2887 8.8713 8.8713 9.8148 9.8148 11.0894 11.0894 11.6828 11.6828 12.6157 12.6157 13.3451 13.3451 k =-0.0769 0.1197 0.1422 ( 2242 PWs) bands (ev): -53.5707 -53.5707 -27.9929 -27.9929 -27.2200 -27.2200 -27.0880 -27.0880 -0.0796 -0.0796 7.0831 7.0831 7.5262 7.5262 8.1206 8.1206 8.3038 8.3038 8.8464 8.8464 9.8682 9.8682 11.1391 11.1391 11.7172 11.7172 12.5205 12.5205 13.2835 13.2835 k =-0.0710 0.1105 0.1313 ( 2242 PWs) bands (ev): -53.5707 -53.5707 -27.9927 -27.9927 -27.2197 -27.2197 -27.0880 -27.0880 -0.1165 -0.1165 7.1595 7.1595 7.4984 7.4984 8.1734 8.1734 8.3252 8.3252 8.8232 8.8232 9.9218 9.9218 11.1935 11.1935 11.7552 11.7552 12.4282 12.4282 13.2249 13.2249 k =-0.0650 0.1013 0.1204 ( 2238 PWs) bands (ev): -53.5707 -53.5707 -27.9926 -27.9926 -27.2195 -27.2195 -27.0880 -27.0880 -0.1506 -0.1506 7.2264 7.2264 7.4723 7.4723 8.2207 8.2207 8.3527 8.3527 8.8017 8.8017 9.9753 9.9753 11.2519 11.2519 11.7967 11.7967 12.3389 12.3389 13.1702 13.1702 k =-0.0591 0.0921 0.1094 ( 2233 PWs) bands (ev): -53.5708 -53.5708 -27.9925 -27.9925 -27.2193 -27.2193 -27.0880 -27.0880 -0.1817 -0.1817 7.2836 7.2836 7.4481 7.4481 8.2624 8.2624 8.3859 8.3859 8.7821 8.7821 10.0284 10.0284 11.3132 11.3132 11.8416 11.8416 12.2533 12.2533 13.1197 13.1197 k =-0.0532 0.0829 0.0985 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2191 -27.2191 -27.0879 -27.0879 -0.2098 -0.2098 7.3315 7.3315 7.4259 7.4259 8.2988 8.2988 8.4237 8.4237 8.7642 8.7642 10.0805 10.0805 11.3760 11.3760 11.8897 11.8897 12.1716 12.1716 13.0738 13.0738 k =-0.0473 0.0737 0.0875 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2190 -27.2190 -27.0879 -27.0879 -0.2350 -0.2350 7.3706 7.3706 7.4058 7.4058 8.3301 8.3301 8.4644 8.4644 8.7481 8.7481 10.1312 10.1312 11.4389 11.4389 11.9403 11.9403 12.0948 12.0948 13.0331 13.0331 k =-0.0414 0.0645 0.0766 ( 2233 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2188 -27.2188 -27.0879 -27.0879 -0.2573 -0.2573 7.3880 7.3880 7.4019 7.4019 8.3568 8.3568 8.5064 8.5064 8.7339 8.7339 10.1798 10.1798 11.5003 11.5003 11.9910 11.9910 12.0252 12.0252 12.9980 12.9980 k =-0.0355 0.0552 0.0657 ( 2229 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2187 -27.2187 -27.0879 -27.0879 -0.2766 -0.2766 7.3724 7.3724 7.4265 7.4265 8.3790 8.3790 8.5477 8.5477 8.7216 8.7216 10.2253 10.2253 11.5584 11.5584 11.9557 11.9557 12.0489 12.0489 12.9691 12.9691 k =-0.0296 0.0460 0.0547 ( 2233 PWs) bands (ev): -53.5708 -53.5708 -27.9920 -27.9920 -27.2186 -27.2186 -27.0878 -27.0878 -0.2929 -0.2929 7.3592 7.3592 7.4454 7.4454 8.3972 8.3972 8.5862 8.5862 8.7111 8.7111 10.2669 10.2669 11.6113 11.6113 11.8978 11.8978 12.1018 12.1018 12.9471 12.9471 k =-0.0237 0.0368 0.0438 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2185 -27.2185 -27.0878 -27.0878 -0.3063 -0.3063 7.3483 7.3483 7.4596 7.4596 8.4116 8.4116 8.6204 8.6204 8.7025 8.7025 10.3034 10.3034 11.6571 11.6571 11.8482 11.8482 12.1524 12.1524 12.9326 12.9326 k =-0.0177 0.0276 0.0328 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2184 -27.2184 -27.0878 -27.0878 -0.3167 -0.3167 7.3399 7.3399 7.4698 7.4698 8.4225 8.4225 8.6486 8.6486 8.6958 8.6958 10.3336 10.3336 11.6938 11.6938 11.8087 11.8087 12.1973 12.1973 12.9254 12.9254 k =-0.0118 0.0184 0.0219 ( 2253 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2184 -27.2184 -27.0878 -27.0878 -0.3242 -0.3242 7.3338 7.3338 7.4767 7.4767 8.4302 8.4302 8.6696 8.6696 8.6911 8.6911 10.3563 10.3563 11.7184 11.7184 11.7821 11.7821 12.2330 12.2330 12.9245 12.9245 k =-0.0059 0.0092 0.0109 ( 2253 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3286 -0.3286 7.3301 7.3301 7.4806 7.4806 8.4347 8.4347 8.6823 8.6823 8.6886 8.6886 10.3704 10.3704 11.7278 11.7278 11.7715 11.7715 12.2561 12.2561 12.9267 12.9267 k = 0.0000 0.0000 0.0000 ( 2257 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3301 -0.3301 7.3289 7.3289 7.4819 7.4819 8.4362 8.4362 8.6855 8.6855 8.6888 8.6888 10.3752 10.3752 11.7283 11.7283 11.7705 11.7705 12.2641 12.2641 12.9282 12.9282 k = 0.0000 0.0000 0.0000 ( 2257 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3301 -0.3301 7.3289 7.3289 7.4819 7.4819 8.4362 8.4362 8.6855 8.6855 8.6888 8.6888 10.3752 10.3752 11.7283 11.7283 11.7705 11.7705 12.2641 12.2641 12.9282 12.9282 k = 0.0132 0.0084-0.0000 ( 2249 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3286 -0.3286 7.2224 7.2224 7.5880 7.5880 8.4351 8.4351 8.6859 8.6859 8.6892 8.6892 10.3753 10.3753 11.7245 11.7245 11.7666 11.7666 12.2550 12.2550 12.9309 12.9309 k = 0.0263 0.0169-0.0000 ( 2249 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3241 -0.3241 7.0640 7.0640 7.7448 7.7448 8.4317 8.4317 8.6872 8.6872 8.6904 8.6904 10.3759 10.3759 11.7132 11.7132 11.7551 11.7551 12.2286 12.2286 12.9391 12.9391 k = 0.0395 0.0253-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3166 -0.3166 6.9005 6.9005 7.9058 7.9058 8.4261 8.4261 8.6893 8.6893 8.6925 8.6925 10.3767 10.3767 11.6948 11.6948 11.7362 11.7362 12.1880 12.1880 12.9527 12.9527 k = 0.0526 0.0338-0.0000 ( 2237 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0878 -27.0878 -0.3061 -0.3061 6.7357 6.7357 8.0667 8.0667 8.4184 8.4184 8.6922 8.6922 8.6954 8.6954 10.3780 10.3780 11.6698 11.6698 11.7108 11.7108 12.1371 12.1371 12.9716 12.9716 k = 0.0658 0.0422-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0879 -27.0879 -0.2926 -0.2926 6.5707 6.5707 8.2261 8.2261 8.4086 8.4086 8.6960 8.6960 8.6991 8.6991 10.3795 10.3795 11.6391 11.6391 11.6793 11.6793 12.0795 12.0795 12.9956 12.9956 k = 0.0789 0.0507-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9918 -27.9918 -27.2183 -27.2183 -27.0879 -27.0879 -0.2761 -0.2761 6.4059 6.4059 8.3832 8.3832 8.3969 8.3969 8.7006 8.7006 8.7036 8.7036 10.3814 10.3814 11.6032 11.6032 11.6428 11.6428 12.0184 12.0184 13.0246 13.0246 k = 0.0921 0.0591-0.0000 ( 2241 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2183 -27.2183 -27.0879 -27.0879 -0.2567 -0.2567 6.2417 6.2417 8.3834 8.3834 8.5373 8.5373 8.7060 8.7060 8.7090 8.7090 10.3835 10.3835 11.5631 11.5631 11.6019 11.6019 11.9566 11.9566 13.0584 13.0584 k = 0.1053 0.0676-0.0000 ( 2237 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2183 -27.2183 -27.0879 -27.0879 -0.2342 -0.2342 6.0782 6.0782 8.3682 8.3682 8.6859 8.6859 8.7124 8.7124 8.7166 8.7166 10.3860 10.3860 11.5194 11.5194 11.5573 11.5573 11.8962 11.8962 13.0967 13.0967 k = 0.1184 0.0760-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2183 -27.2183 -27.0880 -27.0880 -0.2088 -0.2088 5.9155 5.9155 8.3516 8.3516 8.7191 8.7191 8.7214 8.7214 8.8340 8.8340 10.3887 10.3887 11.4728 11.4728 11.5099 11.5099 11.8392 11.8392 13.1394 13.1394 k = 0.1316 0.0845-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2183 -27.2183 -27.0880 -27.0880 -0.1805 -0.1805 5.7539 5.7539 8.3336 8.3336 8.7269 8.7269 8.7292 8.7292 8.9733 8.9733 10.3917 10.3917 11.4240 11.4240 11.4602 11.4602 11.7874 11.7874 13.1860 13.1860 k = 0.1447 0.0929-0.0000 ( 2237 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2183 -27.2183 -27.0881 -27.0881 -0.1492 -0.1492 5.5933 5.5933 8.3145 8.3145 8.7355 8.7355 8.7377 8.7377 9.1058 9.1058 10.3950 10.3950 11.3734 11.3734 11.4087 11.4087 11.7425 11.7425 13.2363 13.2363 k = 0.1579 0.1014-0.0000 ( 2237 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2183 -27.2183 -27.0881 -27.0881 -0.1150 -0.1150 5.4340 5.4340 8.2944 8.2944 8.7448 8.7448 8.7470 8.7470 9.2299 9.2299 10.3985 10.3985 11.3216 11.3216 11.3560 11.3560 11.7060 11.7060 13.2900 13.2900 k = 0.1711 0.1098-0.0000 ( 2229 PWs) bands (ev): -53.5708 -53.5708 -27.9919 -27.9919 -27.2183 -27.2183 -27.0881 -27.0881 -0.0779 -0.0779 5.2760 5.2760 8.2735 8.2735 8.7548 8.7548 8.7569 8.7569 9.3440 9.3440 10.4022 10.4022 11.2688 11.2688 11.3023 11.3023 11.6797 11.6797 13.3468 13.3468 k = 0.1842 0.1183-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9919 -27.9919 -27.2183 -27.2183 -27.0882 -27.0882 -0.0379 -0.0379 5.1194 5.1194 8.2520 8.2520 8.7655 8.7655 8.7676 8.7676 9.4467 9.4467 10.4060 10.4060 11.2155 11.2155 11.2481 11.2481 11.6649 11.6649 13.4062 13.4062 k = 0.1974 0.1267-0.0000 ( 2273 PWs) bands (ev): -53.5709 -53.5709 -27.9920 -27.9920 -27.2184 -27.2184 -27.0882 -27.0882 0.0049 0.0049 4.9643 4.9643 8.2301 8.2301 8.7769 8.7769 8.7789 8.7789 9.5365 9.5365 10.4100 10.4100 11.1619 11.1619 11.1937 11.1937 11.6631 11.6631 13.4679 13.4679 k = 0.2105 0.1352-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9920 -27.9920 -27.2184 -27.2184 -27.0883 -27.0883 0.0506 0.0506 4.8108 4.8108 8.2079 8.2079 8.7889 8.7889 8.7910 8.7910 9.6126 9.6126 10.4141 10.4141 11.1084 11.1084 11.1394 11.1394 11.6750 11.6750 13.5315 13.5315 k = 0.2237 0.1436-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9920 -27.9920 -27.2184 -27.2184 -27.0883 -27.0883 0.0991 0.0991 4.6589 4.6589 8.1856 8.1856 8.8014 8.8014 8.8036 8.8036 9.6744 9.6744 10.4183 10.4183 11.0551 11.0551 11.0853 11.0853 11.7009 11.7009 13.5966 13.5966 k = 0.2368 0.1521-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9920 -27.9920 -27.2184 -27.2184 -27.0884 -27.0884 0.1503 0.1503 4.5088 4.5088 8.1634 8.1634 8.8146 8.8146 8.8169 8.8169 9.7219 9.7219 10.4226 10.4226 11.0023 11.0023 11.0318 11.0318 11.7405 11.7405 13.6627 13.6627 k = 0.2500 0.1605-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9920 -27.9920 -27.2184 -27.2184 -27.0884 -27.0884 0.2043 0.2043 4.3606 4.3606 8.1414 8.1414 8.8282 8.8282 8.8307 8.8307 9.7560 9.7560 10.4269 10.4269 10.9502 10.9502 10.9790 10.9790 11.7924 11.7924 13.7295 13.7295 k = 0.2632 0.1690-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9921 -27.9921 -27.2184 -27.2184 -27.0885 -27.0885 0.2610 0.2610 4.2142 4.2142 8.1197 8.1197 8.8422 8.8422 8.8450 8.8450 9.7781 9.7781 10.4312 10.4312 10.8990 10.8990 10.9271 10.9271 11.8551 11.8551 13.7966 13.7966 k = 0.2763 0.1774-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9921 -27.9921 -27.2184 -27.2184 -27.0886 -27.0886 0.3203 0.3203 4.0699 4.0699 8.0985 8.0985 8.8566 8.8566 8.8596 8.8596 9.7899 9.7899 10.4355 10.4355 10.8488 10.8488 10.8764 10.8764 11.9263 11.9263 13.8633 13.8633 k = 0.2895 0.1859-0.0000 ( 2245 PWs) bands (ev): -53.5709 -53.5709 -27.9921 -27.9921 -27.2184 -27.2184 -27.0886 -27.0886 0.3821 0.3821 3.9277 3.9277 8.0779 8.0779 8.8713 8.8713 8.8746 8.8746 9.7932 9.7932 10.4397 10.4397 10.8000 10.8000 10.8269 10.8269 12.0037 12.0037 13.9294 13.9294 k = 0.3026 0.1943-0.0000 ( 2245 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2184 -27.2184 -27.0887 -27.0887 0.4465 0.4465 3.7877 3.7877 8.0581 8.0581 8.8863 8.8863 8.8899 8.8899 9.7898 9.7898 10.4438 10.4438 10.7525 10.7525 10.7790 10.7790 12.0850 12.0850 13.9943 13.9943 k = 0.3158 0.2028-0.0000 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2184 -27.2184 -27.0887 -27.0887 0.5133 0.5133 3.6500 3.6500 8.0390 8.0390 8.9014 8.9014 8.9053 8.9053 9.7814 9.7814 10.4478 10.4478 10.7068 10.7068 10.7328 10.7328 12.1682 12.1682 14.0576 14.0576 k = 0.3289 0.2112-0.0000 ( 2241 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2184 -27.2184 -27.0888 -27.0888 0.5823 0.5823 3.5149 3.5149 8.0209 8.0209 8.9164 8.9164 8.9207 8.9207 9.7694 9.7694 10.4516 10.4516 10.6628 10.6628 10.6884 10.6884 12.2514 12.2514 14.1188 14.1188 k = 0.3421 0.2197-0.0000 ( 2242 PWs) bands (ev): -53.5708 -53.5708 -27.9921 -27.9921 -27.2184 -27.2184 -27.0888 -27.0888 0.6536 0.6536 3.3823 3.3823 8.0037 8.0037 8.9314 8.9314 8.9360 8.9360 9.7550 9.7550 10.4552 10.4552 10.6208 10.6208 10.6461 10.6461 12.3329 12.3329 14.1774 14.1774 k = 0.3553 0.2281-0.0000 ( 2242 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2184 -27.2184 -27.0888 -27.0888 0.7268 0.7268 3.2526 3.2526 7.9877 7.9877 8.9461 8.9461 8.9511 8.9511 9.7391 9.7391 10.4584 10.4584 10.5811 10.5811 10.6062 10.6062 12.4114 12.4114 14.2331 14.2331 k = 0.3684 0.2366-0.0000 ( 2242 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2184 -27.2184 -27.0889 -27.0889 0.8017 0.8017 3.1260 3.1260 7.9728 7.9728 8.9605 8.9605 8.9657 8.9657 9.7227 9.7227 10.4613 10.4613 10.5437 10.5437 10.5689 10.5689 12.4856 12.4856 14.2854 14.2854 k = 0.3816 0.2450-0.0000 ( 2242 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2184 -27.2184 -27.0889 -27.0889 0.8781 0.8781 3.0029 3.0029 7.9592 7.9592 8.9742 8.9742 8.9798 8.9798 9.7063 9.7063 10.4633 10.4633 10.5090 10.5090 10.5349 10.5349 12.5548 12.5548 14.3339 14.3339 k = 0.3947 0.2535-0.0000 ( 2250 PWs) bands (ev): -53.5708 -53.5708 -27.9922 -27.9922 -27.2184 -27.2184 -27.0890 -27.0890 0.9555 0.9555 2.8836 2.8836 7.9468 7.9468 8.9873 8.9873 8.9932 8.9932 9.6905 9.6905 10.4633 10.4633 10.4771 10.4771 10.5054 10.5054 12.6180 12.6180 14.3783 14.3783 k = 0.4079 0.2619-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0890 -27.0890 1.0333 1.0333 2.7688 2.7688 7.9357 7.9357 8.9994 8.9994 9.0056 9.0056 9.6758 9.6758 10.4481 10.4481 10.4563 10.4563 10.4858 10.4858 12.6748 12.6748 14.4182 14.4182 k = 0.4211 0.2704-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0890 -27.0890 1.1106 1.1106 2.6594 2.6594 7.9261 7.9261 9.0104 9.0104 9.0168 9.0168 9.6624 9.6624 10.4226 10.4226 10.4382 10.4382 10.4802 10.4802 12.7246 12.7246 14.4533 14.4533 k = 0.4342 0.2788-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0890 -27.0890 1.1860 1.1860 2.5568 2.5568 7.9179 7.9179 9.0201 9.0201 9.0268 9.0268 9.6507 9.6507 10.4006 10.4006 10.4181 10.4181 10.4799 10.4799 12.7672 12.7672 14.4834 14.4834 k = 0.4474 0.2873-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.2576 1.2576 2.4630 2.4630 7.9111 7.9111 9.0284 9.0284 9.0352 9.0352 9.6409 9.6409 10.3822 10.3822 10.4004 10.4004 10.4806 10.4806 12.8022 12.8022 14.5084 14.5084 k = 0.4605 0.2957-0.0000 ( 2266 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.3222 1.3222 2.3810 2.3810 7.9058 7.9058 9.0350 9.0350 9.0420 9.0420 9.6331 9.6331 10.3676 10.3676 10.3862 10.3862 10.4814 10.4814 12.8296 12.8296 14.5279 14.5279 k = 0.4737 0.3042-0.0000 ( 2262 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.3754 1.3754 2.3155 2.3155 7.9020 7.9020 9.0398 9.0398 9.0470 9.0470 9.6274 9.6274 10.3572 10.3572 10.3758 10.3758 10.4820 10.4820 12.8493 12.8493 14.5420 14.5420 k = 0.4868 0.3126-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.4113 1.4113 2.2722 2.2722 7.8997 7.8997 9.0428 9.0428 9.0500 9.0500 9.6240 9.6240 10.3508 10.3508 10.3695 10.3695 10.4825 10.4825 12.8611 12.8611 14.5504 14.5504 k = 0.5000 0.3211-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.4240 1.4240 2.2569 2.2569 7.8989 7.8989 9.0437 9.0437 9.0510 9.0510 9.6228 9.6228 10.3487 10.3487 10.3674 10.3674 10.4826 10.4826 12.8650 12.8650 14.5533 14.5533 k = 0.5000 0.3211-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.4240 1.4240 2.2569 2.2569 7.8989 7.8989 9.0437 9.0437 9.0510 9.0510 9.6228 9.6228 10.3487 10.3487 10.3674 10.3674 10.4826 10.4826 12.8650 12.8650 14.5533 14.5533 k = 0.4940 0.3305 0.0111 ( 2262 PWs) bands (ev): -53.5709 -53.5709 -27.9923 -27.9923 -27.2184 -27.2184 -27.0891 -27.0891 1.4254 1.4254 2.2584 2.2584 7.8899 7.8899 9.0333 9.0333 9.0476 9.0476 9.6404 9.6404 10.3481 10.3481 10.3669 10.3669 10.4841 10.4841 12.8706 12.8706 14.5557 14.5557 k = 0.4880 0.3398 0.0223 ( 2260 PWs) bands (ev): -53.5709 -53.5709 -27.9923 -27.9923 -27.2185 -27.2185 -27.0891 -27.0891 1.4294 1.4294 2.2630 2.2630 7.8627 7.8627 9.0002 9.0002 9.0450 9.0450 9.6878 9.6878 10.3460 10.3460 10.3657 10.3657 10.4886 10.4886 12.8871 12.8871 14.5629 14.5629 k = 0.4820 0.3492 0.0334 ( 2258 PWs) bands (ev): -53.5708 -53.5708 -27.9923 -27.9923 -27.2185 -27.2185 -27.0891 -27.0891 1.4362 1.4362 2.2705 2.2705 7.8171 7.8171 8.9571 8.9571 9.0415 9.0415 9.7542 9.7542 10.3415 10.3415 10.3646 10.3646 10.4960 10.4960 12.9141 12.9141 14.5754 14.5754 k = 0.4759 0.3586 0.0445 ( 2250 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2186 -27.2186 -27.0891 -27.0891 1.4456 1.4456 2.2810 2.2810 7.7531 7.7531 8.9139 8.9139 9.0369 9.0369 9.8302 9.8302 10.3340 10.3340 10.3643 10.3643 10.5064 10.5064 12.9509 12.9509 14.5934 14.5934 k = 0.4699 0.3679 0.0556 ( 2252 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2187 -27.2187 -27.0891 -27.0891 1.4577 1.4577 2.2945 2.2945 7.6714 7.6714 8.8760 8.8760 9.0312 9.0312 9.9099 9.9099 10.3235 10.3235 10.3648 10.3648 10.5197 10.5197 12.9965 12.9965 14.6176 14.6176 k = 0.4639 0.3773 0.0668 ( 2252 PWs) bands (ev): -53.5708 -53.5708 -27.9925 -27.9925 -27.2188 -27.2188 -27.0891 -27.0891 1.4725 1.4725 2.3110 2.3110 7.5735 7.5735 8.8462 8.8462 9.0243 9.0243 9.9896 9.9896 10.3102 10.3102 10.3660 10.3660 10.5360 10.5360 13.0496 13.0496 14.6490 14.6490 k = 0.4579 0.3866 0.0779 ( 2254 PWs) bands (ev): -53.5708 -53.5708 -27.9926 -27.9926 -27.2190 -27.2190 -27.0891 -27.0891 1.4899 1.4899 2.3305 2.3305 7.4616 7.4616 8.8249 8.8249 9.0164 9.0164 10.0670 10.0670 10.2945 10.2945 10.3676 10.3676 10.5552 10.5552 13.1084 13.1084 14.6884 14.6884 k = 0.4519 0.3960 0.0890 ( 2252 PWs) bands (ev): -53.5708 -53.5708 -27.9927 -27.9927 -27.2191 -27.2191 -27.0891 -27.0891 1.5101 1.5101 2.3529 2.3529 7.3379 7.3379 8.8118 8.8118 9.0075 9.0075 10.1404 10.1404 10.2769 10.2769 10.3696 10.3696 10.5772 10.5772 13.1710 13.1710 14.7371 14.7371 k = 0.4459 0.4054 0.1002 ( 2250 PWs) bands (ev): -53.5708 -53.5708 -27.9928 -27.9928 -27.2193 -27.2193 -27.0891 -27.0891 1.5329 1.5329 2.3782 2.3782 7.2047 7.2047 8.8057 8.8057 8.9978 8.9978 10.2066 10.2066 10.2601 10.2601 10.3720 10.3720 10.6021 10.6021 13.2353 13.2353 14.7962 14.7962 k = 0.4399 0.4147 0.1113 ( 2242 PWs) bands (ev): -53.5707 -53.5707 -27.9929 -27.9929 -27.2195 -27.2195 -27.0891 -27.0891 1.5584 1.5584 2.4063 2.4063 7.0641 7.0641 8.8057 8.8057 8.9874 8.9874 10.2252 10.2252 10.2841 10.2841 10.3747 10.3747 10.6297 10.6297 13.2989 13.2989 14.8667 14.8667 k = 0.4339 0.4241 0.1224 ( 2242 PWs) bands (ev): -53.5707 -53.5707 -27.9930 -27.9930 -27.2197 -27.2197 -27.0892 -27.0892 1.5866 1.5866 2.4373 2.4373 6.9178 6.9178 8.8107 8.8107 8.9763 8.9763 10.2035 10.2035 10.3406 10.3406 10.3788 10.3788 10.6599 10.6599 13.3599 13.3599 14.9491 14.9491 k = 0.4278 0.4335 0.1335 ( 2240 PWs) bands (ev): -53.5707 -53.5707 -27.9932 -27.9932 -27.2199 -27.2199 -27.0892 -27.0892 1.6175 1.6175 2.4711 2.4711 6.7672 6.7672 8.8200 8.8200 8.9648 8.9648 10.1774 10.1774 10.3743 10.3743 10.4041 10.4041 10.6929 10.6929 13.4164 13.4164 15.0431 15.0431 k = 0.4218 0.4428 0.1447 ( 2236 PWs) bands (ev): -53.5707 -53.5707 -27.9933 -27.9933 -27.2201 -27.2201 -27.0892 -27.0892 1.6510 1.6510 2.5077 2.5077 6.6136 6.6136 8.8328 8.8328 8.9528 8.9528 10.1491 10.1491 10.3792 10.3792 10.4547 10.4547 10.7284 10.7284 13.4670 13.4670 15.1462 15.1462 k = 0.4158 0.4522 0.1558 ( 2236 PWs) bands (ev): -53.5707 -53.5707 -27.9935 -27.9935 -27.2204 -27.2204 -27.0892 -27.0892 1.6871 1.6871 2.5469 2.5469 6.4578 6.4578 8.8485 8.8485 8.9405 8.9405 10.1190 10.1190 10.3818 10.3818 10.5039 10.5039 10.7666 10.7666 13.5111 13.5111 15.2512 15.2512 k = 0.4098 0.4616 0.1669 ( 2236 PWs) bands (ev): -53.5706 -53.5706 -27.9936 -27.9936 -27.2206 -27.2206 -27.0892 -27.0892 1.7260 1.7260 2.5887 2.5887 6.3008 6.3008 8.8665 8.8665 8.9281 8.9281 10.0873 10.0873 10.3839 10.3839 10.5502 10.5502 10.8072 10.8072 13.5483 13.5483 15.2008 15.2008 k = 0.4038 0.4709 0.1781 ( 2230 PWs) bands (ev): -53.5706 -53.5706 -27.9938 -27.9938 -27.2209 -27.2209 -27.0892 -27.0892 1.7674 1.7674 2.6329 2.6329 6.1432 6.1432 8.8863 8.8863 8.9158 8.9158 10.0542 10.0542 10.3855 10.3855 10.5938 10.5938 10.8504 10.8504 13.5788 13.5788 15.0589 15.0589 k = 0.3978 0.4803 0.1892 ( 2238 PWs) bands (ev): -53.5706 -53.5706 -27.9940 -27.9940 -27.2212 -27.2212 -27.0892 -27.0892 1.8115 1.8115 2.6796 2.6796 5.9855 5.9855 8.9011 8.9011 8.9100 8.9100 10.0198 10.0198 10.3867 10.3867 10.6348 10.6348 10.8959 10.8959 13.6029 13.6029 14.9175 14.9175 k = 0.3918 0.4897 0.2003 ( 2238 PWs) bands (ev): -53.5706 -53.5706 -27.9941 -27.9941 -27.2214 -27.2214 -27.0892 -27.0892 1.8583 1.8583 2.7285 2.7285 5.8283 5.8283 8.8901 8.8901 8.9312 8.9312 9.9843 9.9843 10.3873 10.3873 10.6737 10.6737 10.9440 10.9440 13.6211 13.6211 14.7770 14.7770 k = 0.3857 0.4990 0.2114 ( 2240 PWs) bands (ev): -53.5705 -53.5705 -27.9943 -27.9943 -27.2217 -27.2217 -27.0892 -27.0892 1.9076 1.9076 2.7794 2.7794 5.6722 5.6722 8.8781 8.8781 8.9545 8.9545 9.9477 9.9478 10.3872 10.3872 10.7106 10.7106 10.9944 10.9944 13.6342 13.6342 14.6377 14.6377 k = 0.3797 0.5084 0.2226 ( 2244 PWs) bands (ev): -53.5705 -53.5705 -27.9945 -27.9945 -27.2220 -27.2220 -27.0892 -27.0892 1.9596 1.9596 2.8321 2.8321 5.5177 5.5177 8.8663 8.8663 8.9782 8.9782 9.9103 9.9103 10.3864 10.3864 10.7459 10.7459 11.0473 11.0473 13.6426 13.6426 14.4999 14.4999 k = 0.3737 0.5177 0.2337 ( 2254 PWs) bands (ev): -53.5705 -53.5705 -27.9947 -27.9947 -27.2223 -27.2223 -27.0892 -27.0892 2.0142 2.0142 2.8862 2.8862 5.3652 5.3652 8.8549 8.8549 9.0020 9.0020 9.8720 9.8720 10.3847 10.3847 10.7797 10.7797 11.1026 11.1026 13.6470 13.6470 14.3638 14.3638 k = 0.3677 0.5271 0.2448 ( 2254 PWs) bands (ev): -53.5705 -53.5705 -27.9948 -27.9948 -27.2226 -27.2226 -27.0893 -27.0893 2.0713 2.0713 2.9414 2.9414 5.2155 5.2155 8.8439 8.8439 9.0254 9.0254 9.8330 9.8330 10.3820 10.3820 10.8124 10.8124 11.1602 11.1602 13.6479 13.6479 14.2298 14.2298 k = 0.3617 0.5365 0.2560 ( 2250 PWs) bands (ev): -53.5704 -53.5704 -27.9950 -27.9950 -27.2229 -27.2229 -27.0893 -27.0893 2.1311 2.1311 2.9971 2.9971 5.0692 5.0692 8.8336 8.8336 9.0480 9.0480 9.7935 9.7935 10.3783 10.3783 10.8441 10.8441 11.2203 11.2203 13.6457 13.6457 14.0979 14.0979 k = 0.3557 0.5458 0.2671 ( 2254 PWs) bands (ev): -53.5704 -53.5704 -27.9952 -27.9952 -27.2232 -27.2232 -27.0893 -27.0893 2.1934 2.1934 3.0524 3.0524 4.9273 4.9273 8.8239 8.8239 9.0695 9.0695 9.7534 9.7534 10.3732 10.3732 10.8749 10.8749 11.2826 11.2826 13.6411 13.6411 13.9684 13.9684 k = 0.3497 0.5552 0.2782 ( 2250 PWs) bands (ev): -53.5704 -53.5704 -27.9954 -27.9954 -27.2234 -27.2234 -27.0893 -27.0893 2.2583 2.2583 3.1061 3.1061 4.7911 4.7911 8.8150 8.8150 9.0895 9.0895 9.7129 9.7129 10.3669 10.3669 10.9049 10.9049 11.3474 11.3474 13.6344 13.6344 13.8414 13.8414 k = 0.3436 0.5646 0.2894 ( 2254 PWs) bands (ev): -53.5704 -53.5704 -27.9955 -27.9955 -27.2237 -27.2237 -27.0893 -27.0893 2.3258 2.3258 3.1566 3.1566 4.6625 4.6625 8.8069 8.8069 9.1076 9.1076 9.6720 9.6720 10.3590 10.3590 10.9344 10.9344 11.4145 11.4145 13.6262 13.6262 13.7171 13.7171 k = 0.3376 0.5739 0.3005 ( 2250 PWs) bands (ev): -53.5703 -53.5703 -27.9957 -27.9957 -27.2240 -27.2240 -27.0893 -27.0893 2.3958 2.3958 3.2013 3.2013 4.5439 4.5439 8.7997 8.7997 9.1234 9.1234 9.6308 9.6308 10.3496 10.3496 10.9633 10.9633 11.4840 11.4840 13.5950 13.5950 13.6172 13.6172 k = 0.3316 0.5833 0.3116 ( 2250 PWs) bands (ev): -53.5703 -53.5703 -27.9959 -27.9959 -27.2242 -27.2242 -27.0893 -27.0893 2.4683 2.4683 3.2367 3.2367 4.4390 4.4390 8.7935 8.7935 9.1365 9.1365 9.5894 9.5894 10.3385 10.3385 10.9917 10.9917 11.5558 11.5558 13.4765 13.4765 13.6071 13.6071 k = 0.3256 0.5927 0.3227 ( 2250 PWs) bands (ev): -53.5703 -53.5703 -27.9960 -27.9960 -27.2244 -27.2244 -27.0893 -27.0893 2.5433 2.5433 3.2581 3.2581 4.3526 4.3526 8.7883 8.7883 9.1466 9.1466 9.5478 9.5478 10.3256 10.3256 11.0196 11.0196 11.6300 11.6300 13.3606 13.3606 13.5970 13.5970 k = 0.3196 0.6020 0.3339 ( 2248 PWs) bands (ev): -53.5703 -53.5703 -27.9961 -27.9961 -27.2247 -27.2247 -27.0892 -27.0892 2.6208 2.6208 3.2600 3.2600 4.2902 4.2902 8.7842 8.7842 9.1533 9.1533 9.5061 9.5061 10.3107 10.3107 11.0469 11.0469 11.7065 11.7065 13.2478 13.2478 13.5874 13.5874 k = 0.3136 0.6114 0.3450 ( 2244 PWs) bands (ev): -53.5703 -53.5703 -27.9963 -27.9963 -27.2249 -27.2249 -27.0892 -27.0892 2.7008 2.7008 3.2381 3.2381 4.2561 4.2561 8.7812 8.7812 9.1564 9.1564 9.4643 9.4643 10.2939 10.2939 11.0736 11.0736 11.7853 11.7853 13.1381 13.1381 13.5786 13.5786 k = 0.3076 0.6207 0.3561 ( 2244 PWs) bands (ev): -53.5702 -53.5702 -27.9964 -27.9964 -27.2251 -27.2251 -27.0892 -27.0892 2.7832 2.7832 3.1913 3.1913 4.2514 4.2514 8.7794 8.7794 9.1557 9.1557 9.4225 9.4225 10.2751 10.2751 11.0995 11.0995 11.8665 11.8665 13.0316 13.0316 13.5710 13.5711 k = 0.3016 0.6301 0.3673 ( 2236 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8680 2.8680 3.1224 3.1224 4.2733 4.2733 8.7789 8.7789 9.1509 9.1509 9.3807 9.3807 10.2542 10.2542 11.1245 11.1245 11.9500 11.9500 12.9285 12.9285 13.5651 13.5651 k = 0.3016 0.6301 0.3673 ( 2236 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2253 -27.2253 -27.0892 -27.0892 2.8680 2.8680 3.1224 3.1224 4.2733 4.2733 8.7789 8.7789 9.1509 9.1509 9.3807 9.3807 10.2542 10.2542 11.1245 11.1245 11.9500 11.9500 12.9285 12.9285 13.5651 13.5651 k = 0.2872 0.6263 0.3718 ( 2245 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2253 -27.2253 -27.0892 -27.0892 2.8914 2.8914 3.0976 3.0976 4.2951 4.2951 8.7790 8.7790 9.1383 9.1383 9.3691 9.3691 10.2452 10.2452 11.1343 11.1343 11.9841 11.9841 12.8802 12.8802 13.5685 13.5685 k = 0.2728 0.6225 0.3763 ( 2243 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2254 -27.2254 -27.0892 -27.0892 2.8906 2.8906 3.0877 3.0877 4.3334 4.3334 8.7792 8.7792 9.1050 9.1050 9.3694 9.3694 10.2366 10.2366 11.1439 11.1439 12.0168 12.0168 12.8219 12.8219 13.5805 13.5805 k = 0.2585 0.6186 0.3809 ( 2245 PWs) bands (ev): -53.5702 -53.5702 -27.9966 -27.9966 -27.2255 -27.2255 -27.0892 -27.0892 2.8713 2.8713 3.0869 3.0869 4.3879 4.3879 8.7795 8.7795 9.0530 9.0530 9.3794 9.3794 10.2284 10.2284 11.1532 11.1532 12.0475 12.0475 12.7588 12.7588 13.5953 13.5953 k = 0.2441 0.6148 0.3854 ( 2247 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2255 -27.2255 -27.0892 -27.0892 2.8426 2.8426 3.0873 3.0873 4.4575 4.4575 8.7797 8.7797 8.9863 8.9863 9.3949 9.3949 10.2208 10.2208 11.1622 11.1622 12.0758 12.0758 12.6950 12.6950 13.6064 13.6064 k = 0.2298 0.6110 0.3900 ( 2250 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2256 -27.2256 -27.0892 -27.0892 2.8104 2.8104 3.0847 3.0847 4.5406 4.5406 8.7800 8.7800 8.9077 8.9077 9.4133 9.4133 10.2140 10.2140 11.1708 11.1708 12.1011 12.1011 12.6338 12.6338 13.6088 13.6088 k = 0.2154 0.6072 0.3945 ( 2252 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2256 -27.2256 -27.0892 -27.0892 2.7776 2.7776 3.0780 3.0780 4.6352 4.6352 8.7801 8.7801 8.8190 8.8190 9.4328 9.4328 10.2080 10.2080 11.1791 11.1791 12.1232 12.1232 12.5770 12.5770 13.6017 13.6017 k = 0.2010 0.6034 0.3991 ( 2250 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2257 -27.2257 -27.0892 -27.0892 2.7454 2.7454 3.0677 3.0677 4.7395 4.7395 8.7213 8.7213 8.7804 8.7804 9.4525 9.4525 10.2030 10.2030 11.1869 11.1869 12.1419 12.1419 12.5256 12.5256 13.5867 13.5867 k = 0.1867 0.5995 0.4036 ( 2253 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2257 -27.2257 -27.0891 -27.0891 2.7146 2.7146 3.0547 3.0547 4.8516 4.8516 8.6160 8.6160 8.7804 8.7804 9.4719 9.4719 10.1988 10.1988 11.1944 11.1944 12.1571 12.1571 12.4802 12.4802 13.5660 13.5660 k = 0.1723 0.5957 0.4081 ( 2257 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2258 -27.2258 -27.0891 -27.0891 2.6857 2.6857 3.0398 3.0398 4.9702 4.9702 8.5037 8.5037 8.7804 8.7804 9.4906 9.4906 10.1955 10.1955 11.2015 11.2015 12.1689 12.1689 12.4408 12.4408 13.5414 13.5414 k = 0.1580 0.5919 0.4127 ( 2255 PWs) bands (ev): -53.5702 -53.5702 -27.9968 -27.9968 -27.2258 -27.2258 -27.0891 -27.0891 2.6587 2.6587 3.0240 3.0240 5.0940 5.0940 8.3854 8.3854 8.7803 8.7803 9.5083 9.5083 10.1931 10.1931 11.2083 11.2083 12.1775 12.1775 12.4074 12.4074 13.5142 13.5142 k = 0.1436 0.5881 0.4172 ( 2255 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0891 -27.0891 2.6338 2.6338 3.0079 3.0079 5.2220 5.2220 8.2620 8.2620 8.7802 8.7802 9.5250 9.5250 10.1913 10.1913 11.2146 11.2146 12.1833 12.1833 12.3794 12.3794 13.4856 13.4856 k = 0.1292 0.5842 0.4218 ( 2253 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0891 -27.0891 2.6112 2.6112 2.9922 2.9922 5.3530 5.3530 8.1344 8.1344 8.7799 8.7799 9.5404 9.5404 10.1903 10.1903 11.2206 11.2206 12.1865 12.1865 12.3565 12.3565 13.4565 13.4565 k = 0.1149 0.5804 0.4263 ( 2257 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0891 -27.0891 2.5909 2.5909 2.9772 2.9772 5.4862 5.4862 8.0037 8.0037 8.7797 8.7797 9.5544 9.5544 10.1897 10.1897 11.2262 11.2262 12.1877 12.1877 12.3382 12.3382 13.4277 13.4277 k = 0.1005 0.5766 0.4309 ( 2257 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0891 -27.0891 2.5728 2.5728 2.9633 2.9633 5.6205 5.6205 7.8709 7.8709 8.7794 8.7794 9.5670 9.5670 10.1897 10.1897 11.2313 11.2313 12.1874 12.1874 12.3238 12.3238 13.4000 13.4000 k = 0.0862 0.5728 0.4354 ( 2257 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5572 2.5572 2.9507 2.9507 5.7548 5.7548 7.7376 7.7376 8.7791 8.7791 9.5780 9.5780 10.1899 10.1899 11.2359 11.2359 12.1859 12.1859 12.3127 12.3127 13.3742 13.3742 k = 0.0718 0.5690 0.4399 ( 2259 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5439 2.5439 2.9398 2.9398 5.8872 5.8872 7.6056 7.6056 8.7788 8.7788 9.5875 9.5875 10.1904 10.1904 11.2400 11.2400 12.1838 12.1838 12.3045 12.3045 13.3510 13.3510 k = 0.0574 0.5651 0.4445 ( 2261 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5330 2.5330 2.9307 2.9307 6.0153 6.0153 7.4776 7.4776 8.7785 8.7785 9.5953 9.5953 10.1909 10.1909 11.2434 11.2434 12.1815 12.1815 12.2986 12.2986 13.3311 13.3311 k = 0.0431 0.5613 0.4490 ( 2263 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5245 2.5245 2.9235 2.9235 6.1348 6.1348 7.3580 7.3580 8.7783 8.7783 9.6014 9.6014 10.1914 10.1914 11.2461 11.2461 12.1793 12.1793 12.2945 12.2945 13.3149 13.3149 k = 0.0287 0.5575 0.4536 ( 2261 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5185 2.5185 2.9183 2.9183 6.2382 6.2382 7.2545 7.2545 8.7781 8.7781 9.6058 9.6058 10.1918 10.1918 11.2481 11.2481 12.1775 12.1775 12.2919 12.2919 13.3029 13.3029 k = 0.0144 0.5537 0.4581 ( 2262 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5148 2.5148 2.9151 2.9151 6.3123 6.3123 7.1802 7.1802 8.7780 8.7780 9.6084 9.6084 10.1921 10.1921 11.2494 11.2494 12.1764 12.1764 12.2904 12.2904 13.2956 13.2956 k = 0.0000 0.5498 0.4627 ( 2266 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5136 2.5136 2.9141 2.9141 6.3401 6.3401 7.1524 7.1524 8.7779 8.7779 9.6093 9.6093 10.1922 10.1922 11.2498 11.2498 12.1760 12.1760 12.2900 12.2900 13.2932 13.2932 k = 0.0000 0.5498 0.4627 ( 2266 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2260 -27.2260 -27.0891 -27.0891 2.5136 2.5136 2.9141 2.9141 6.3401 6.3401 7.1524 7.1524 8.7779 8.7779 9.6093 9.6093 10.1922 10.1922 11.2498 11.2498 12.1760 12.1760 12.2900 12.2900 13.2932 13.2932 k = 0.0060 0.5406 0.4737 ( 2264 PWs) bands (ev): -53.5702 -53.5702 -27.9970 -27.9970 -27.2260 -27.2260 -27.0891 -27.0891 2.5148 2.5148 2.9156 2.9156 6.3414 6.3414 7.1526 7.1526 8.7741 8.7741 9.6073 9.6073 10.1905 10.1905 11.2499 11.2499 12.1452 12.1452 12.3135 12.3135 13.2790 13.2790 k = 0.0119 0.5313 0.4847 ( 2262 PWs) bands (ev): -53.5702 -53.5702 -27.9970 -27.9970 -27.2261 -27.2261 -27.0891 -27.0891 2.5185 2.5185 2.9200 2.9200 6.3454 6.3454 7.1532 7.1532 8.7628 8.7628 9.6015 9.6015 10.1851 10.1851 11.2501 11.2501 12.0826 12.0826 12.3544 12.3544 13.2397 13.2397 k = 0.0179 0.5220 0.4957 ( 2262 PWs) bands (ev): -53.5702 -53.5702 -27.9970 -27.9970 -27.2261 -27.2261 -27.0891 -27.0891 2.5245 2.5245 2.9273 2.9273 6.3521 6.3521 7.1542 7.1542 8.7441 8.7441 9.5916 9.5916 10.1764 10.1764 11.2505 11.2505 12.0085 12.0085 12.3936 12.3936 13.1830 13.1830 k = 0.0238 0.5128 0.5067 ( 2262 PWs) bands (ev): -53.5702 -53.5702 -27.9970 -27.9970 -27.2262 -27.2262 -27.0891 -27.0891 2.5330 2.5330 2.9376 2.9376 6.3614 6.3614 7.1555 7.1555 8.7181 8.7181 9.5773 9.5773 10.1642 10.1642 11.2511 11.2511 11.9279 11.9279 12.4272 12.4272 13.1163 13.1163 k = 0.0298 0.5035 0.5177 ( 2258 PWs) bands (ev): -53.5702 -53.5702 -27.9971 -27.9971 -27.2262 -27.2262 -27.0891 -27.0891 2.5439 2.5439 2.9509 2.9509 6.3734 6.3734 7.1569 7.1569 8.6852 8.6852 9.5582 9.5582 10.1487 10.1487 11.2518 11.2518 11.8433 11.8433 12.4547 12.4547 13.0452 13.0452 k = 0.0357 0.4942 0.5287 ( 2258 PWs) bands (ev): -53.5701 -53.5701 -27.9971 -27.9971 -27.2263 -27.2263 -27.0891 -27.0891 2.5572 2.5572 2.9671 2.9671 6.3879 6.3879 7.1584 7.1584 8.6458 8.6458 9.5340 9.5340 10.1301 10.1301 11.2527 11.2527 11.7566 11.7566 12.4760 12.4760 12.9736 12.9736 k = 0.0417 0.4850 0.5398 ( 2258 PWs) bands (ev): -53.5701 -53.5701 -27.9972 -27.9972 -27.2265 -27.2265 -27.0891 -27.0891 2.5729 2.5729 2.9862 2.9862 6.4050 6.4050 7.1598 7.1598 8.6003 8.6003 9.5041 9.5041 10.1084 10.1084 11.2537 11.2537 11.6697 11.6697 12.4917 12.4917 12.9038 12.9038 k = 0.0476 0.4757 0.5508 ( 2252 PWs) bands (ev): -53.5701 -53.5701 -27.9973 -27.9973 -27.2266 -27.2266 -27.0891 -27.0891 2.5910 2.5910 3.0082 3.0082 6.4246 6.4246 7.1608 7.1608 8.5494 8.5494 9.4679 9.4679 10.0840 10.0840 11.2547 11.2547 11.5843 11.5843 12.5019 12.5019 12.8373 12.8373 k = 0.0536 0.4664 0.5618 ( 2254 PWs) bands (ev): -53.5701 -53.5701 -27.9974 -27.9974 -27.2267 -27.2267 -27.0891 -27.0891 2.6115 2.6115 3.0331 3.0331 6.4465 6.4465 7.1610 7.1610 8.4937 8.4937 9.4249 9.4249 10.0569 10.0569 11.2558 11.2558 11.5021 11.5021 12.5072 12.5072 12.7750 12.7750 k = 0.0595 0.4572 0.5728 ( 2250 PWs) bands (ev): -53.5701 -53.5701 -27.9975 -27.9975 -27.2269 -27.2269 -27.0892 -27.0892 2.6344 2.6344 3.0610 3.0610 6.4709 6.4709 7.1601 7.1601 8.4341 8.4341 9.3745 9.3745 10.0273 10.0273 11.2567 11.2567 11.4246 11.4246 12.5079 12.5079 12.7174 12.7174 k = 0.0655 0.4479 0.5838 ( 2252 PWs) bands (ev): -53.5701 -53.5701 -27.9976 -27.9976 -27.2271 -27.2271 -27.0892 -27.0892 2.6597 2.6597 3.0917 3.0917 6.4975 6.4975 7.1575 7.1575 8.3715 8.3715 9.3164 9.3164 9.9956 9.9956 11.2568 11.2568 11.3538 11.3538 12.5042 12.5042 12.6648 12.6648 k = 0.0714 0.4386 0.5948 ( 2254 PWs) bands (ev): -53.5701 -53.5701 -27.9977 -27.9977 -27.2272 -27.2272 -27.0892 -27.0892 2.6873 2.6873 3.1253 3.1253 6.5262 6.5262 7.1525 7.1525 8.3070 8.3070 9.2505 9.2505 9.9618 9.9618 11.2520 11.2520 11.2947 11.2947 12.4963 12.4963 12.6173 12.6173 k = 0.0774 0.4293 0.6059 ( 2258 PWs) bands (ev): -53.5700 -53.5700 -27.9978 -27.9978 -27.2274 -27.2274 -27.0892 -27.0892 2.7173 2.7173 3.1617 3.1617 6.5569 6.5569 7.1443 7.1443 8.2421 8.2421 9.1767 9.1767 9.9262 9.9262 11.2187 11.2187 11.2714 11.2714 12.4844 12.4844 12.5751 12.5751 k = 0.0833 0.4201 0.6169 ( 2258 PWs) bands (ev): -53.5700 -53.5700 -27.9980 -27.9980 -27.2276 -27.2276 -27.0892 -27.0892 2.7497 2.7497 3.2011 3.2011 6.5894 6.5894 7.1319 7.1319 8.1782 8.1782 9.0955 9.0955 9.8890 9.8890 11.1716 11.1716 11.2697 11.2697 12.4683 12.4683 12.5379 12.5379 k = 0.0893 0.4108 0.6279 ( 2258 PWs) bands (ev): -53.5700 -53.5700 -27.9981 -27.9981 -27.2279 -27.2279 -27.0893 -27.0893 2.7843 2.7843 3.2432 3.2432 6.6235 6.6235 7.1141 7.1141 8.1168 8.1168 9.0072 9.0072 9.8504 9.8504 11.1294 11.1294 11.2707 11.2707 12.4484 12.4484 12.5055 12.5055 k = 0.0952 0.4015 0.6389 ( 2254 PWs) bands (ev): -53.5700 -53.5700 -27.9982 -27.9982 -27.2281 -27.2281 -27.0893 -27.0893 2.8213 2.8213 3.2882 3.2882 6.6590 6.6590 7.0895 7.0895 8.0599 8.0599 8.9129 8.9129 9.8106 9.8106 11.0941 11.0941 11.2724 11.2724 12.4245 12.4245 12.4777 12.4777 k = 0.1012 0.3923 0.6499 ( 2254 PWs) bands (ev): -53.5700 -53.5700 -27.9984 -27.9984 -27.2283 -27.2283 -27.0893 -27.0893 2.8605 2.8605 3.3359 3.3359 6.6955 6.6955 7.0570 7.0570 8.0089 8.0089 8.8134 8.8134 9.7697 9.7697 11.0654 11.0654 11.2744 11.2744 12.3968 12.3968 12.4541 12.4541 k = 0.1071 0.3830 0.6609 ( 2254 PWs) bands (ev): -53.5699 -53.5699 -27.9985 -27.9985 -27.2285 -27.2285 -27.0893 -27.0893 2.9020 2.9020 3.3865 3.3865 6.7325 6.7325 7.0155 7.0155 7.9654 7.9654 8.7098 8.7098 9.7279 9.7279 11.0431 11.0431 11.2765 11.2765 12.3648 12.3648 12.4347 12.4347 k = 0.1131 0.3737 0.6719 ( 2256 PWs) bands (ev): -53.5699 -53.5699 -27.9987 -27.9987 -27.2288 -27.2288 -27.0894 -27.0894 2.9457 2.9457 3.4398 3.4398 6.7695 6.7695 6.9645 6.9645 7.9303 7.9303 8.6036 8.6036 9.6854 9.6854 11.0264 11.0264 11.2788 11.2788 12.3282 12.3282 12.4195 12.4195 k = 0.1190 0.3645 0.6830 ( 2256 PWs) bands (ev): -53.5699 -53.5699 -27.9988 -27.9988 -27.2290 -27.2290 -27.0894 -27.0894 2.9917 2.9917 3.4958 3.4958 6.8057 6.8057 6.9042 6.9042 7.9038 7.9038 8.4961 8.4961 9.6424 9.6424 11.0149 11.0149 11.2811 11.2811 12.2868 12.2868 12.4085 12.4085 k = 0.1250 0.3552 0.6940 ( 2254 PWs) bands (ev): -53.5699 -53.5699 -27.9990 -27.9990 -27.2293 -27.2293 -27.0894 -27.0894 3.0397 3.0397 3.5545 3.5545 6.8343 6.8343 6.8409 6.8409 7.8856 7.8856 8.3890 8.3890 9.5990 9.5990 11.0077 11.0077 11.2835 11.2835 12.2402 12.2402 12.4014 12.4014 k = 0.1310 0.3459 0.7050 ( 2256 PWs) bands (ev): -53.5698 -53.5698 -27.9992 -27.9992 -27.2295 -27.2295 -27.0894 -27.0894 3.0900 3.0900 3.6159 3.6159 6.7580 6.7580 6.8716 6.8716 7.8750 7.8750 8.2842 8.2842 9.5552 9.5552 11.0044 11.0044 11.2859 11.2859 12.1886 12.1886 12.3981 12.3981 k = 0.1369 0.3367 0.7160 ( 2254 PWs) bands (ev): -53.5698 -53.5698 -27.9993 -27.9993 -27.2298 -27.2298 -27.0895 -27.0895 3.1423 3.1423 3.6800 3.6800 6.6746 6.6746 6.8979 6.8979 7.8711 7.8711 8.1840 8.1840 9.5114 9.5114 11.0042 11.0042 11.2883 11.2883 12.1318 12.1318 12.3986 12.3986 k = 0.1429 0.3274 0.7270 ( 2252 PWs) bands (ev): -53.5698 -53.5698 -27.9995 -27.9995 -27.2300 -27.2300 -27.0895 -27.0895 3.1966 3.1966 3.7466 3.7466 6.5859 6.5859 6.9167 6.9167 7.8728 7.8728 8.0913 8.0913 9.4677 9.4677 11.0066 11.0066 11.2907 11.2907 12.0702 12.0702 12.4026 12.4026 k = 0.1488 0.3181 0.7380 ( 2248 PWs) bands (ev): -53.5698 -53.5698 -27.9996 -27.9996 -27.2302 -27.2302 -27.0895 -27.0895 3.2529 3.2529 3.8158 3.8158 6.4931 6.4931 6.9250 6.9250 7.8793 7.8793 8.0095 8.0095 9.4241 9.4241 11.0109 11.0109 11.2931 11.2931 12.0040 12.0040 12.4101 12.4101 k = 0.1548 0.3088 0.7491 ( 2254 PWs) bands (ev): -53.5697 -53.5697 -27.9998 -27.9998 -27.2305 -27.2305 -27.0895 -27.0895 3.3110 3.3110 3.8876 3.8876 6.3973 6.3973 6.9193 6.9193 7.8894 7.8894 7.9422 7.9422 9.3807 9.3807 11.0167 11.0167 11.2954 11.2954 11.9341 11.9341 12.4210 12.4210 k = 0.1607 0.2996 0.7601 ( 2252 PWs) bands (ev): -53.5697 -53.5697 -27.9999 -27.9999 -27.2307 -27.2307 -27.0895 -27.0895 3.3709 3.3709 3.9618 3.9618 6.2993 6.2993 6.8966 6.8966 7.8916 7.8916 7.9037 7.9037 9.3379 9.3379 11.0232 11.0232 11.2976 11.2976 11.8611 11.8611 12.4352 12.4352 k = 0.1667 0.2903 0.7711 ( 2252 PWs) bands (ev): -53.5697 -53.5697 -28.0000 -28.0000 -27.2309 -27.2309 -27.0896 -27.0896 3.4325 3.4325 4.0384 4.0384 6.2001 6.2001 6.8553 6.8553 7.8618 7.8618 7.9191 7.9191 9.2957 9.2957 11.0298 11.0298 11.2998 11.2998 11.7863 11.7863 12.4526 12.4526 k = 0.1726 0.2810 0.7821 ( 2250 PWs) bands (ev): -53.5697 -53.5697 -28.0002 -28.0002 -27.2311 -27.2311 -27.0896 -27.0896 3.4957 3.4957 4.1173 4.1173 6.1003 6.1003 6.7960 6.7960 7.8500 7.8500 7.9369 7.9369 9.2543 9.2543 11.0358 11.0358 11.3019 11.3019 11.7112 11.7112 12.4732 12.4732 k = 0.1786 0.2718 0.7931 ( 2254 PWs) bands (ev): -53.5697 -53.5697 -28.0003 -28.0003 -27.2313 -27.2313 -27.0896 -27.0896 3.5602 3.5602 4.1985 4.1985 6.0005 6.0005 6.7213 6.7213 7.8542 7.8542 7.9562 7.9562 9.2139 9.2139 11.0402 11.0402 11.3038 11.3038 11.6373 11.6373 12.4970 12.4970 k = 0.1845 0.2625 0.8041 ( 2250 PWs) bands (ev): -53.5696 -53.5696 -28.0004 -28.0004 -27.2315 -27.2315 -27.0896 -27.0896 3.6258 3.6258 4.2818 4.2818 5.9014 5.9014 6.6347 6.6347 7.8706 7.8706 7.9766 7.9766 9.1747 9.1747 11.0418 11.0418 11.3057 11.3057 11.5667 11.5667 12.5239 12.5239 k = 0.1905 0.2532 0.8152 ( 2250 PWs) bands (ev): -53.5696 -53.5696 -28.0005 -28.0005 -27.2317 -27.2317 -27.0896 -27.0896 3.6922 3.6922 4.3672 4.3672 5.8036 5.8036 6.5394 6.5394 7.8958 7.8958 7.9976 7.9976 9.1369 9.1369 11.0392 11.0392 11.3073 11.3073 11.5017 11.5017 12.5539 12.5539 k = 0.1964 0.2440 0.8262 ( 2244 PWs) bands (ev): -53.5696 -53.5696 -28.0006 -28.0006 -27.2318 -27.2318 -27.0896 -27.0896 3.7591 3.7591 4.4543 4.4543 5.7076 5.7076 6.4383 6.4383 7.9266 7.9266 8.0188 8.0188 9.1009 9.1009 11.0307 11.0307 11.3087 11.3087 11.4451 11.4451 12.5869 12.5869 k = 0.2024 0.2347 0.8372 ( 2246 PWs) bands (ev): -53.5696 -53.5696 -28.0007 -28.0007 -27.2320 -27.2320 -27.0896 -27.0896 3.8259 3.8259 4.5430 4.5430 5.6143 5.6143 6.3338 6.3338 7.9605 7.9605 8.0398 8.0398 9.0668 9.0668 11.0150 11.0150 11.3098 11.3098 11.3991 11.3991 12.6230 12.6230 k = 0.2083 0.2254 0.8482 ( 2244 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2321 -27.2321 -27.0896 -27.0896 3.8920 3.8920 4.6330 4.6330 5.5245 5.5245 6.2275 6.2275 7.9952 7.9952 8.0602 8.0602 9.0351 9.0351 10.9920 10.9920 11.3102 11.3102 11.3650 11.3651 12.6620 12.6620 k = 0.2143 0.2162 0.8592 ( 2244 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2322 -27.2322 -27.0897 -27.0897 3.9564 3.9564 4.7236 4.7236 5.4393 5.4393 6.1212 6.1212 8.0291 8.0291 8.0794 8.0794 9.0062 9.0062 10.9631 10.9631 11.3096 11.3096 11.3429 11.3429 12.7039 12.7039 k = 0.2202 0.2069 0.8702 ( 2242 PWs) bands (ev): -53.5695 -53.5695 -28.0009 -28.0009 -27.2323 -27.2323 -27.0897 -27.0897 4.0177 4.0177 4.8141 4.8141 5.3601 5.3601 6.0165 6.0165 8.0606 8.0606 8.0970 8.0970 8.9805 8.9805 10.9315 10.9315 11.3073 11.3073 11.3310 11.3310 12.7485 12.7485 k = 0.2262 0.1976 0.8812 ( 2240 PWs) bands (ev): -53.5695 -53.5695 -28.0010 -28.0010 -27.2324 -27.2324 -27.0897 -27.0897 4.0743 4.0743 4.9030 4.9030 5.2889 5.2889 5.9154 5.9154 8.0883 8.0883 8.1124 8.1124 8.9585 8.9585 10.9008 10.9008 11.3039 11.3039 11.3262 11.3262 12.7957 12.7957 k = 0.2321 0.1884 0.8923 ( 2232 PWs) bands (ev): -53.5695 -53.5695 -28.0010 -28.0010 -27.2325 -27.2325 -27.0897 -27.0897 4.1235 4.1235 4.9876 4.9876 5.2281 5.2281 5.8209 5.8209 8.1111 8.1111 8.1251 8.1251 8.9407 8.9407 10.8738 10.8738 11.3012 11.3012 11.3246 11.3246 12.8450 12.8450 k = 0.2381 0.1791 0.9033 ( 2234 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1625 4.1625 5.0627 5.0627 5.1810 5.1810 5.7385 5.7385 8.1279 8.1279 8.1348 8.1348 8.9276 8.9276 10.8530 10.8530 11.2995 11.2995 11.3242 11.3242 12.8950 12.8950 k = 0.2440 0.1698 0.9143 ( 2238 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1877 4.1877 5.1180 5.1180 5.1513 5.1513 5.6783 5.6783 8.1378 8.1378 8.1413 8.1413 8.9195 8.9195 10.8399 10.8399 11.2987 11.2987 11.3241 11.3241 12.9406 12.9406 k = 0.2500 0.1605 0.9253 ( 2228 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1965 4.1965 5.1354 5.1354 5.1450 5.1450 5.6552 5.6552 8.1408 8.1408 8.1439 8.1439 8.9168 8.9168 10.8354 10.8354 11.2985 11.2985 11.3241 11.3241 12.9596 12.9596 k = 0.2500 0.1605 0.9253 ( 2228 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1965 4.1965 5.1354 5.1354 5.1450 5.1450 5.6552 5.6552 8.1408 8.1408 8.1439 8.1439 8.9168 8.9168 10.8354 10.8354 11.2985 11.2985 11.3241 11.3241 12.9596 12.9596 k = 0.2609 0.1675 0.9170 ( 2235 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1936 4.1936 5.1143 5.1143 5.1625 5.1625 5.6648 5.6648 8.0817 8.0817 8.2008 8.2008 8.9108 8.9108 10.8448 10.8448 11.2986 11.2986 11.3241 11.3241 12.9378 12.9378 k = 0.2717 0.1745 0.9087 ( 2235 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1862 4.1862 5.0901 5.0901 5.1732 5.1732 5.6954 5.6954 8.0171 8.0171 8.2581 8.2581 8.8938 8.8938 10.8724 10.8724 11.2990 11.2990 11.3240 11.3240 12.9053 12.9053 k = 0.2826 0.1815 0.9004 ( 2235 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1756 4.1756 5.0673 5.0673 5.1709 5.1709 5.7469 5.7469 7.9473 7.9473 8.3149 8.3149 8.8680 8.8680 10.9169 10.9169 11.3001 11.3001 11.3237 11.3237 12.8712 12.8712 k = 0.2935 0.1885 0.8921 ( 2237 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1632 4.1632 5.0462 5.0462 5.1575 5.1575 5.8160 5.8160 7.8719 7.8719 8.3709 8.3709 8.8358 8.8358 10.9760 10.9760 11.3021 11.3021 11.3231 11.3231 12.8374 12.8374 k = 0.3043 0.1954 0.8838 ( 2243 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1499 4.1499 5.0267 5.0267 5.1361 5.1361 5.8986 5.8986 7.7907 7.7907 8.4261 8.4261 8.8000 8.8000 11.0471 11.0471 11.3055 11.3055 11.3222 11.3222 12.8044 12.8045 k = 0.3152 0.2024 0.8755 ( 2247 PWs) bands (ev): -53.5695 -53.5695 -28.0010 -28.0010 -27.2325 -27.2325 -27.0897 -27.0897 4.1364 4.1364 5.0089 5.0089 5.1093 5.1093 5.9911 5.9911 7.7038 7.7038 8.4801 8.4801 8.7628 8.7628 11.1267 11.1267 11.3115 11.3115 11.3210 11.3210 12.7726 12.7726 k = 0.3261 0.2094 0.8672 ( 2247 PWs) bands (ev): -53.5695 -53.5695 -28.0010 -28.0010 -27.2324 -27.2324 -27.0897 -27.0897 4.1234 4.1234 4.9928 4.9928 5.0790 5.0790 6.0908 6.0908 7.6116 7.6116 8.5329 8.5329 8.7261 8.7261 11.2080 11.2080 11.3175 11.3175 11.3270 11.3270 12.7418 12.7418 k = 0.3370 0.2164 0.8589 ( 2249 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2324 -27.2324 -27.0897 -27.0897 4.1111 4.1111 4.9785 4.9785 5.0463 5.0463 6.1958 6.1958 7.5147 7.5147 8.5842 8.5842 8.6911 8.6911 11.2692 11.2692 11.3155 11.3155 11.3679 11.3679 12.7120 12.7120 k = 0.3478 0.2234 0.8506 ( 2253 PWs) bands (ev): -53.5696 -53.5696 -28.0010 -28.0010 -27.2323 -27.2323 -27.0897 -27.0897 4.0999 4.0999 4.9659 4.9659 5.0119 5.0119 6.3049 6.3049 7.4140 7.4140 8.6339 8.6339 8.6588 8.6588 11.2941 11.2941 11.3126 11.3126 11.4508 11.4508 12.6834 12.6834 k = 0.3587 0.2304 0.8423 ( 2252 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2323 -27.2323 -27.0897 -27.0897 4.0902 4.0902 4.9550 4.9550 4.9763 4.9763 6.4171 6.4171 7.3106 7.3106 8.6296 8.6296 8.6819 8.6819 11.3029 11.3029 11.3120 11.3120 11.5507 11.5507 12.6561 12.6561 k = 0.3696 0.2373 0.8341 ( 2250 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2322 -27.2322 -27.0897 -27.0897 4.0820 4.0820 4.9378 4.9378 4.9473 4.9473 6.5315 6.5315 7.2055 7.2055 8.6038 8.6038 8.7279 8.7279 11.3005 11.3005 11.3192 11.3192 11.6556 11.6556 12.6303 12.6303 k = 0.3804 0.2443 0.8258 ( 2254 PWs) bands (ev): -53.5696 -53.5696 -28.0009 -28.0009 -27.2322 -27.2322 -27.0897 -27.0897 4.0756 4.0756 4.8998 4.8998 4.9395 4.9395 6.6475 6.6475 7.1001 7.1001 8.5817 8.5817 8.7717 8.7717 11.2948 11.2948 11.3284 11.3284 11.7610 11.7610 12.6067 12.6067 k = 0.3913 0.2513 0.8175 ( 2253 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2321 -27.2321 -27.0897 -27.0897 4.0709 4.0709 4.8595 4.8595 4.9342 4.9342 6.7643 6.7643 6.9956 6.9956 8.5631 8.5631 8.8134 8.8134 11.2880 11.2880 11.3384 11.3384 11.8639 11.8639 12.5864 12.5864 k = 0.4022 0.2583 0.8092 ( 2256 PWs) bands (ev): -53.5696 -53.5696 -28.0008 -28.0008 -27.2320 -27.2320 -27.0897 -27.0897 4.0683 4.0683 4.8172 4.8172 4.9308 4.9308 6.8706 6.8706 6.9039 6.9039 8.5483 8.5483 8.8526 8.8526 11.2802 11.2802 11.3491 11.3491 11.9608 11.9608 12.5713 12.5713 k = 0.4130 0.2653 0.8009 ( 2262 PWs) bands (ev): -53.5696 -53.5696 -28.0007 -28.0007 -27.2320 -27.2320 -27.0897 -27.0897 4.0676 4.0676 4.7725 4.7725 4.9293 4.9293 6.7897 6.7897 7.0024 7.0024 8.5372 8.5372 8.8892 8.8892 11.2715 11.2715 11.3605 11.3605 12.0471 12.0471 12.5647 12.5647 k = 0.4239 0.2722 0.7926 ( 2260 PWs) bands (ev): -53.5696 -53.5696 -28.0007 -28.0007 -27.2319 -27.2319 -27.0897 -27.0897 4.0689 4.0689 4.7250 4.7250 4.9297 4.9297 6.6941 6.6941 7.1191 7.1191 8.5299 8.5299 8.9232 8.9232 11.2621 11.2621 11.3724 11.3724 12.1168 12.1168 12.5715 12.5715 k = 0.4348 0.2792 0.7843 ( 2262 PWs) bands (ev): -53.5696 -53.5696 -28.0006 -28.0006 -27.2318 -27.2318 -27.0897 -27.0897 4.0722 4.0722 4.6741 4.6741 4.9320 4.9320 6.6030 6.6030 7.2352 7.2352 8.5266 8.5266 8.9544 8.9544 11.2520 11.2520 11.3847 11.3847 12.1642 12.1642 12.5962 12.5962 k = 0.4457 0.2862 0.7760 ( 2266 PWs) bands (ev): -53.5696 -53.5696 -28.0006 -28.0006 -27.2317 -27.2317 -27.0897 -27.0897 4.0776 4.0776 4.6195 4.6195 4.9362 4.9362 6.5180 6.5180 7.3494 7.3494 8.5277 8.5277 8.9826 8.9826 11.2413 11.2413 11.3972 11.3972 12.1877 12.1877 12.6395 12.6395 k = 0.4565 0.2932 0.7677 ( 2262 PWs) bands (ev): -53.5696 -53.5696 -28.0005 -28.0005 -27.2316 -27.2316 -27.0897 -27.0897 4.0848 4.0848 4.5609 4.5609 4.9422 4.9422 6.4397 6.4397 7.4610 7.4610 8.5335 8.5335 9.0078 9.0078 11.2303 11.2303 11.4095 11.4095 12.1918 12.1918 12.6962 12.6962 k = 0.4674 0.3002 0.7594 ( 2262 PWs) bands (ev): -53.5696 -53.5696 -28.0004 -28.0004 -27.2315 -27.2315 -27.0896 -27.0896 4.0937 4.0937 4.4981 4.4981 4.9502 4.9502 6.3689 6.3689 7.5689 7.5689 8.5447 8.5447 9.0298 9.0298 11.2190 11.2190 11.4212 11.4212 12.1831 12.1831 12.7595 12.7595 k = 0.4783 0.3071 0.7511 ( 2264 PWs) bands (ev): -53.5697 -53.5697 -28.0004 -28.0004 -27.2314 -27.2314 -27.0896 -27.0896 4.1037 4.1037 4.4314 4.4314 4.9602 4.9602 6.3063 6.3063 7.6719 7.6719 8.5622 8.5622 9.0486 9.0486 11.2076 11.2076 11.4317 11.4317 12.1671 12.1671 12.8237 12.8237 k = 0.4891 0.3141 0.7428 ( 2264 PWs) bands (ev): -53.5697 -53.5697 -28.0003 -28.0003 -27.2313 -27.2313 -27.0896 -27.0896 4.1135 4.1135 4.3622 4.3622 4.9720 4.9720 6.2520 6.2520 7.7685 7.7685 8.5868 8.5868 9.0640 9.0640 11.1964 11.1964 11.4405 11.4405 12.1474 12.1474 12.8857 12.8857 k = 0.5000 0.3211 0.7345 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0002 -28.0002 -27.2312 -27.2312 -27.0896 -27.0896 4.1188 4.1188 4.2948 4.2948 4.9858 4.9858 6.2063 6.2063 7.8574 7.8574 8.6196 8.6196 9.0760 9.0760 11.1855 11.1855 11.4466 11.4466 12.1267 12.1267 12.9436 12.9436 k = 0.5000 0.3211 0.7345 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0002 -28.0002 -27.2312 -27.2312 -27.0896 -27.0896 4.1188 4.1188 4.2948 4.2948 4.9858 4.9858 6.2063 6.2063 7.8574 7.8574 8.6196 8.6196 9.0760 9.0760 11.1855 11.1855 11.4466 11.4466 12.1267 12.1267 12.9436 12.9436 k = 0.5000 0.3211 0.7189 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0001 -28.0001 -27.2310 -27.2310 -27.0896 -27.0896 4.1166 4.1166 4.1771 4.1771 5.0146 5.0146 6.1314 6.1314 8.0168 8.0168 8.6887 8.6887 9.0960 9.0960 11.1648 11.1648 11.4539 11.4539 12.0899 12.0899 13.0531 13.0531 k = 0.5000 0.3211 0.7032 ( 2266 PWs) bands (ev): -53.5697 -53.5697 -28.0000 -28.0000 -27.2308 -27.2308 -27.0896 -27.0896 4.0614 4.0614 4.1112 4.1112 5.0457 5.0457 6.0633 6.0633 8.1761 8.1761 8.7555 8.7555 9.1175 9.1175 11.1432 11.1432 11.4588 11.4588 12.0572 12.0572 13.1718 13.1718 k = 0.5000 0.3211 0.6876 ( 2270 PWs) bands (ev): -53.5698 -53.5698 -27.9998 -27.9998 -27.2305 -27.2305 -27.0896 -27.0896 3.9481 3.9481 4.1017 4.1017 5.0790 5.0790 6.0028 6.0028 8.3348 8.3348 8.8200 8.8200 9.1403 9.1403 11.1207 11.1207 11.4613 11.4613 12.0290 12.0290 13.2993 13.2993 k = 0.5000 0.3211 0.6720 ( 2264 PWs) bands (ev): -53.5698 -53.5698 -27.9996 -27.9996 -27.2302 -27.2302 -27.0896 -27.0896 3.8369 3.8369 4.0874 4.0874 5.1145 5.1145 5.9510 5.9510 8.4923 8.4923 8.8824 8.8824 9.1645 9.1645 11.0975 11.0975 11.4615 11.4615 12.0058 12.0058 13.4348 13.4348 k = 0.5000 0.3211 0.6564 ( 2264 PWs) bands (ev): -53.5698 -53.5698 -27.9995 -27.9995 -27.2300 -27.2300 -27.0896 -27.0896 3.7281 3.7281 4.0679 4.0679 5.1521 5.1521 5.9084 5.9084 8.6482 8.6482 8.9427 8.9427 9.1900 9.1900 11.0734 11.0734 11.4595 11.4595 11.9880 11.9880 13.5776 13.5776 k = 0.5000 0.3211 0.6407 ( 2256 PWs) bands (ev): -53.5698 -53.5698 -27.9993 -27.9993 -27.2297 -27.2297 -27.0896 -27.0896 3.6216 3.6216 4.0427 4.0427 5.1920 5.1920 5.8758 5.8758 8.8016 8.8016 9.0013 9.0013 9.2168 9.2168 11.0487 11.0487 11.4555 11.4555 11.9764 11.9764 13.7270 13.7270 k = 0.5000 0.3211 0.6251 ( 2256 PWs) bands (ev): -53.5698 -53.5698 -27.9991 -27.9991 -27.2294 -27.2294 -27.0896 -27.0896 3.5174 3.5174 4.0116 4.0116 5.2340 5.2340 5.8533 5.8533 8.9516 8.9516 9.0584 9.0584 9.2447 9.2447 11.0231 11.0231 11.4496 11.4496 11.9716 11.9716 13.8820 13.8820 k = 0.5000 0.3211 0.6095 ( 2258 PWs) bands (ev): -53.5699 -53.5699 -27.9989 -27.9989 -27.2291 -27.2291 -27.0896 -27.0896 3.4156 3.4156 3.9746 3.9746 5.2781 5.2781 5.8412 5.8412 9.0940 9.0940 9.1174 9.1174 9.2739 9.2739 10.9969 10.9969 11.4421 11.4421 11.9745 11.9745 14.0417 14.0417 k = 0.5000 0.3211 0.5939 ( 2258 PWs) bands (ev): -53.5699 -53.5699 -27.9987 -27.9987 -27.2287 -27.2287 -27.0896 -27.0896 3.3162 3.3162 3.9319 3.9319 5.3244 5.3244 5.8394 5.8394 9.1648 9.1648 9.2410 9.2410 9.3044 9.3044 10.9698 10.9698 11.4330 11.4330 11.9860 11.9860 14.2052 14.2052 k = 0.5000 0.3211 0.5782 ( 2252 PWs) bands (ev): -53.5699 -53.5699 -27.9985 -27.9985 -27.2284 -27.2284 -27.0896 -27.0896 3.2192 3.2192 3.8840 3.8840 5.3728 5.3728 5.8474 5.8474 9.2175 9.2175 9.3344 9.3344 9.3769 9.3769 10.9420 10.9420 11.4225 11.4225 12.0072 12.0072 14.3710 14.3710 k = 0.5000 0.3211 0.5626 ( 2254 PWs) bands (ev): -53.5700 -53.5700 -27.9983 -27.9983 -27.2281 -27.2281 -27.0895 -27.0895 3.1246 3.1246 3.8314 3.8314 5.4232 5.4232 5.8648 5.8648 9.2684 9.2684 9.3672 9.3672 9.5041 9.5041 10.9133 10.9133 11.4106 11.4106 12.0391 12.0391 14.5380 14.5380 k = 0.5000 0.3211 0.5470 ( 2254 PWs) bands (ev): -53.5700 -53.5700 -27.9981 -27.9981 -27.2277 -27.2277 -27.0895 -27.0895 3.0325 3.0325 3.7748 3.7748 5.4757 5.4757 5.8910 5.8910 9.3179 9.3179 9.4004 9.4004 9.6234 9.6234 10.8837 10.8837 11.3975 11.3975 12.0828 12.0828 14.7039 14.7039 k = 0.5000 0.3211 0.5313 ( 2250 PWs) bands (ev): -53.5700 -53.5700 -27.9978 -27.9978 -27.2274 -27.2274 -27.0895 -27.0895 2.9429 2.9429 3.7150 3.7150 5.5303 5.5303 5.9253 5.9253 9.3661 9.3661 9.4344 9.4344 9.7334 9.7334 10.8531 10.8531 11.3832 11.3832 12.1393 12.1393 14.8635 14.8635 k = 0.5000 0.3211 0.5157 ( 2246 PWs) bands (ev): -53.5701 -53.5701 -27.9976 -27.9976 -27.2270 -27.2270 -27.0895 -27.0895 2.8557 2.8557 3.6525 3.6525 5.5868 5.5868 5.9671 5.9671 9.4130 9.4130 9.4691 9.4691 9.8332 9.8332 10.8214 10.8214 11.3679 11.3679 12.2093 12.2093 14.9704 14.9704 k = 0.5000 0.3211 0.5001 ( 2246 PWs) bands (ev): -53.5701 -53.5701 -27.9974 -27.9974 -27.2266 -27.2266 -27.0895 -27.0895 2.7710 2.7710 3.5882 3.5882 5.6454 5.6454 6.0158 6.0158 9.4587 9.4587 9.5045 9.5045 9.9222 9.9222 10.7885 10.7885 11.3515 11.3515 12.2933 12.2933 15.0531 15.0531 k = 0.5000 0.3211 0.4845 ( 2246 PWs) bands (ev): -53.5701 -53.5701 -27.9972 -27.9972 -27.2263 -27.2263 -27.0895 -27.0895 2.6889 2.6889 3.5225 3.5225 5.7059 5.7059 6.0708 6.0708 9.5032 9.5032 9.5405 9.5405 10.0002 10.0002 10.7544 10.7544 11.3341 11.3341 12.3913 12.3913 15.1351 15.1351 k = 0.5000 0.3211 0.4688 ( 2246 PWs) bands (ev): -53.5702 -53.5702 -27.9969 -27.9969 -27.2259 -27.2259 -27.0895 -27.0895 2.6092 2.6092 3.4560 3.4560 5.7683 5.7683 6.1316 6.1316 9.5464 9.5464 9.5770 9.5770 10.0676 10.0676 10.7188 10.7188 11.3157 11.3157 12.5029 12.5029 15.2173 15.2173 k = 0.5000 0.3211 0.4532 ( 2242 PWs) bands (ev): -53.5702 -53.5702 -27.9967 -27.9967 -27.2255 -27.2255 -27.0895 -27.0895 2.5321 2.5321 3.3892 3.3892 5.8325 5.8325 6.1978 6.1978 9.5884 9.5884 9.6139 9.6139 10.1249 10.1249 10.6818 10.6818 11.2963 11.2963 12.6276 12.6276 15.2997 15.2997 k = 0.5000 0.3211 0.4376 ( 2240 PWs) bands (ev): -53.5702 -53.5702 -27.9965 -27.9965 -27.2252 -27.2252 -27.0894 -27.0894 2.4575 2.4575 3.3226 3.3226 5.8987 5.8987 6.2689 6.2689 9.6292 9.6292 9.6511 9.6511 10.1730 10.1730 10.6431 10.6431 11.2760 11.2760 12.7643 12.7643 15.3821 15.3821 k = 0.5000 0.3211 0.4219 ( 2244 PWs) bands (ev): -53.5703 -53.5703 -27.9962 -27.9962 -27.2248 -27.2248 -27.0894 -27.0894 2.3854 2.3854 3.2564 3.2564 5.9666 5.9666 6.3445 6.3445 9.6686 9.6686 9.6885 9.6885 10.2128 10.2128 10.6026 10.6026 11.2547 11.2547 12.9119 12.9119 15.4641 15.4641 k = 0.5000 0.3211 0.4063 ( 2242 PWs) bands (ev): -53.5703 -53.5703 -27.9960 -27.9960 -27.2244 -27.2244 -27.0894 -27.0894 2.3159 2.3159 3.1910 3.1910 6.0363 6.0363 6.4244 6.4244 9.7067 9.7067 9.7260 9.7260 10.2454 10.2454 10.5602 10.5602 11.2324 11.2324 13.0693 13.0693 15.5453 15.5453 k = 0.5000 0.3211 0.3907 ( 2238 PWs) bands (ev): -53.5703 -53.5703 -27.9958 -27.9958 -27.2240 -27.2240 -27.0894 -27.0894 2.2490 2.2490 3.1268 3.1268 6.1077 6.1077 6.5083 6.5083 9.7434 9.7434 9.7635 9.7635 10.2719 10.2719 10.5159 10.5159 11.2090 11.2090 13.2353 13.2353 15.6231 15.6231 k = 0.5000 0.3211 0.3751 ( 2236 PWs) bands (ev): -53.5704 -53.5704 -27.9955 -27.9955 -27.2237 -27.2237 -27.0894 -27.0894 2.1846 2.1846 3.0639 3.0639 6.1807 6.1807 6.5959 6.5959 9.7785 9.7785 9.8009 9.8009 10.2932 10.2932 10.4694 10.4694 11.1846 11.1846 13.4088 13.4088 15.5646 15.5646 k = 0.5000 0.3211 0.3594 ( 2236 PWs) bands (ev): -53.5704 -53.5704 -27.9953 -27.9953 -27.2233 -27.2233 -27.0894 -27.0894 2.1229 2.1229 3.0025 3.0025 6.2554 6.2554 6.6870 6.6870 9.8121 9.8121 9.8380 9.8380 10.3101 10.3101 10.4209 10.4209 11.1590 11.1590 13.5889 13.5889 15.4153 15.4153 k = 0.5000 0.3211 0.3438 ( 2240 PWs) bands (ev): -53.5704 -53.5704 -27.9951 -27.9951 -27.2229 -27.2229 -27.0893 -27.0893 2.0636 2.0636 2.9428 2.9428 6.3316 6.3316 6.7814 6.7814 9.8440 9.8440 9.8748 9.8748 10.3230 10.3230 10.3704 10.3704 11.1321 11.1321 13.7745 13.7745 15.2480 15.2480 k = 0.5000 0.3211 0.3282 ( 2240 PWs) bands (ev): -53.5705 -53.5705 -27.9949 -27.9949 -27.2226 -27.2226 -27.0893 -27.0893 2.0070 2.0070 2.8851 2.8851 6.4092 6.4092 6.8789 6.8789 9.8742 9.8742 9.9111 9.9111 10.3139 10.3139 10.3366 10.3366 11.1040 11.1040 13.9649 13.9649 15.0740 15.0740 k = 0.5000 0.3211 0.3126 ( 2234 PWs) bands (ev): -53.5705 -53.5705 -27.9946 -27.9946 -27.2223 -27.2223 -27.0893 -27.0893 1.9530 1.9530 2.8293 2.8293 6.4882 6.4882 6.9792 6.9792 9.9026 9.9026 9.9467 9.9467 10.2598 10.2598 10.3431 10.3431 11.0743 11.0743 14.1594 14.1594 14.8986 14.8986 k = 0.5000 0.3211 0.2969 ( 2238 PWs) bands (ev): -53.5705 -53.5705 -27.9944 -27.9944 -27.2219 -27.2219 -27.0893 -27.0893 1.9016 1.9016 2.7757 2.7757 6.5684 6.5684 7.0822 7.0822 9.9288 9.9288 9.9816 9.9816 10.2020 10.2020 10.3491 10.3491 11.0431 11.0431 14.3572 14.3572 14.7246 14.7246 k = 0.5000 0.3211 0.2813 ( 2246 PWs) bands (ev): -53.5706 -53.5706 -27.9942 -27.9942 -27.2216 -27.2216 -27.0893 -27.0893 1.8528 1.8528 2.7244 2.7244 6.6499 6.6499 7.1878 7.1878 9.9528 9.9528 10.0154 10.0154 10.1418 10.1418 10.3536 10.3536 11.0102 11.0102 14.5523 14.5523 14.5592 14.5592 k = 0.5000 0.3211 0.2657 ( 2242 PWs) bands (ev): -53.5706 -53.5706 -27.9940 -27.9940 -27.2213 -27.2213 -27.0893 -27.0893 1.8066 1.8066 2.6754 2.6754 6.7324 6.7324 7.2957 7.2957 9.9740 9.9740 10.0465 10.0465 10.0815 10.0815 10.3570 10.3570 10.9756 10.9756 14.3871 14.3871 14.7605 14.7605 k = 0.5000 0.3211 0.2500 ( 2240 PWs) bands (ev): -53.5706 -53.5706 -27.9938 -27.9938 -27.2210 -27.2210 -27.0892 -27.0892 1.7630 1.7630 2.6288 2.6288 6.8158 6.8158 7.4058 7.4058 9.9885 9.9885 10.0169 10.0169 10.0827 10.0827 10.3594 10.3594 10.9391 10.9391 14.2259 14.2259 14.9647 14.9647 k = 0.5000 0.3211 0.2344 ( 2240 PWs) bands (ev): -53.5706 -53.5706 -27.9937 -27.9937 -27.2207 -27.2207 -27.0892 -27.0892 1.7220 1.7220 2.5848 2.5848 6.8999 6.8999 7.5178 7.5178 9.9419 9.9419 10.0131 10.0131 10.1128 10.1128 10.3610 10.3610 10.9008 10.9008 14.0709 14.0709 15.1199 15.1199 k = 0.5000 0.3211 0.2188 ( 2240 PWs) bands (ev): -53.5707 -53.5707 -27.9935 -27.9935 -27.2204 -27.2204 -27.0892 -27.0892 1.6837 1.6837 2.5433 2.5433 6.9846 6.9846 7.6316 7.6316 9.8736 9.8736 10.0251 10.0251 10.1421 10.1421 10.3620 10.3620 10.8607 10.8607 13.9228 13.9228 15.0435 15.0435 k = 0.5000 0.3211 0.2032 ( 2244 PWs) bands (ev): -53.5707 -53.5707 -27.9933 -27.9933 -27.2202 -27.2202 -27.0892 -27.0892 1.6479 1.6479 2.5045 2.5045 7.0696 7.0696 7.7469 7.7469 9.8028 9.8028 10.0340 10.0340 10.1700 10.1700 10.3626 10.3626 10.8190 10.8190 13.7825 13.7825 14.9731 14.9731 k = 0.5000 0.3211 0.1875 ( 2244 PWs) bands (ev): -53.5707 -53.5707 -27.9932 -27.9932 -27.2199 -27.2199 -27.0892 -27.0892 1.6149 1.6149 2.4683 2.4683 7.1547 7.1547 7.8635 7.8635 9.7303 9.7303 10.0386 10.0386 10.1964 10.1964 10.3628 10.3628 10.7762 10.7762 13.6504 13.6504 14.9086 14.9086 k = 0.5000 0.3211 0.1719 ( 2252 PWs) bands (ev): -53.5707 -53.5707 -27.9930 -27.9930 -27.2197 -27.2197 -27.0892 -27.0892 1.5844 1.5844 2.4349 2.4349 7.2395 7.2395 7.9810 7.9810 9.6566 9.6566 10.0380 10.0380 10.2211 10.2211 10.3628 10.3628 10.7329 10.7329 13.5273 13.5273 14.8499 14.8499 k = 0.5000 0.3211 0.1563 ( 2260 PWs) bands (ev): -53.5708 -53.5708 -27.9929 -27.9929 -27.2195 -27.2195 -27.0891 -27.0891 1.5566 1.5566 2.4043 2.4043 7.3236 7.3236 8.0991 8.0991 9.5823 9.5823 10.0309 10.0309 10.2440 10.2440 10.3625 10.3625 10.6900 10.6900 13.4138 13.4138 14.7969 14.7969 k = 0.5000 0.3211 0.1406 ( 2264 PWs) bands (ev): -53.5708 -53.5708 -27.9928 -27.9928 -27.2193 -27.2193 -27.0891 -27.0891 1.5314 1.5314 2.3765 2.3765 7.4066 7.4066 8.2173 8.2173 9.5079 9.5079 10.0163 10.0163 10.2650 10.2650 10.3622 10.3622 10.6487 10.6487 13.3102 13.3102 14.7495 14.7495 k = 0.5000 0.3211 0.1250 ( 2264 PWs) bands (ev): -53.5708 -53.5708 -27.9927 -27.9927 -27.2191 -27.2191 -27.0891 -27.0891 1.5089 1.5089 2.3516 2.3516 7.4876 7.4876 8.3353 8.3353 9.4343 9.4343 9.9928 9.9928 10.2840 10.2840 10.3618 10.3618 10.6106 10.6106 13.2170 13.2170 14.7074 14.7074 k = 0.5000 0.3211 0.1094 ( 2264 PWs) bands (ev): -53.5708 -53.5708 -27.9926 -27.9926 -27.2190 -27.2190 -27.0891 -27.0891 1.4890 1.4890 2.3295 2.3295 7.5659 7.5659 8.4521 8.4521 9.3623 9.3623 9.9595 9.9595 10.3008 10.3008 10.3615 10.3615 10.5770 10.5770 13.1345 13.1345 14.6707 14.6707 k = 0.5000 0.3211 0.0938 ( 2260 PWs) bands (ev): -53.5708 -53.5708 -27.9925 -27.9925 -27.2188 -27.2188 -27.0891 -27.0891 1.4718 1.4718 2.3103 2.3103 7.6404 7.6404 8.5671 8.5671 9.2931 9.2931 9.9163 9.9163 10.3153 10.3153 10.3613 10.3613 10.5487 10.5487 13.0629 13.0629 14.6392 14.6392 k = 0.5000 0.3211 0.0781 ( 2258 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2187 -27.2187 -27.0891 -27.0891 1.4572 1.4572 2.2940 2.2940 7.7095 7.7095 8.6787 8.6787 9.2283 9.2283 9.8639 9.8639 10.3273 10.3273 10.3614 10.3614 10.5261 10.5261 13.0023 13.0023 14.6127 14.6127 k = 0.5000 0.3211 0.0625 ( 2262 PWs) bands (ev): -53.5708 -53.5708 -27.9924 -27.9924 -27.2186 -27.2186 -27.0891 -27.0891 1.4453 1.4453 2.2807 2.2807 7.7715 7.7715 8.7849 8.7849 9.1697 9.1697 9.8048 9.8048 10.3365 10.3365 10.3620 10.3620 10.5091 10.5091 12.9528 12.9528 14.5912 14.5912 k = 0.5000 0.3211 0.0469 ( 2262 PWs) bands (ev): -53.5708 -53.5708 -27.9923 -27.9923 -27.2185 -27.2185 -27.0891 -27.0891 1.4360 1.4360 2.2703 2.2703 7.8241 7.8241 8.8825 8.8825 9.1198 9.1198 9.7427 9.7427 10.3429 10.3429 10.3633 10.3633 10.4968 10.4968 12.9143 12.9143 14.5745 14.5745 k = 0.5000 0.3211 0.0313 ( 2262 PWs) bands (ev): -53.5709 -53.5709 -27.9923 -27.9923 -27.2185 -27.2185 -27.0891 -27.0891 1.4294 1.4294 2.2629 2.2629 7.8645 7.8645 8.9656 8.9656 9.0813 9.0813 9.6843 9.6843 10.3465 10.3465 10.3652 10.3652 10.4887 10.4887 12.8869 12.8869 14.5627 14.5627 k = 0.5000 0.3211 0.0156 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9923 -27.9923 -27.2184 -27.2184 -27.0891 -27.0891 1.4254 1.4254 2.2584 2.2584 7.8901 7.8901 9.0242 9.0242 9.0570 9.0570 9.6399 9.6399 10.3482 10.3482 10.3668 10.3668 10.4841 10.4841 12.8705 12.8705 14.5556 14.5556 k = 0.5000 0.3211-0.0000 ( 2258 PWs) bands (ev): -53.5709 -53.5709 -27.9922 -27.9922 -27.2184 -27.2184 -27.0891 -27.0891 1.4240 1.4240 2.2569 2.2569 7.8989 7.8989 9.0437 9.0437 9.0510 9.0510 9.6228 9.6228 10.3487 10.3487 10.3674 10.3674 10.4826 10.4826 12.8650 12.8650 14.5533 14.5533 k = 0.0000 0.0000 0.9253 ( 2260 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0785 4.0785 4.8146 4.8146 5.6936 5.6936 6.1956 6.1956 7.1663 7.1663 7.7799 7.7799 8.9537 8.9537 11.2984 11.2984 11.3238 11.3238 12.3639 12.3639 12.7637 12.7637 k = 0.0132 0.0084 0.9253 ( 2264 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0792 4.0792 4.8156 4.8156 5.6906 5.6906 6.1906 6.1906 7.1706 7.1706 7.7875 7.7875 8.9509 8.9509 11.2984 11.2984 11.3238 11.3238 12.3501 12.3501 12.7641 12.7641 k = 0.0263 0.0169 0.9253 ( 2268 PWs) bands (ev): -53.5696 -53.5696 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0813 4.0813 4.8184 4.8184 5.6818 5.6818 6.1760 6.1760 7.1835 7.1835 7.8100 7.8100 8.9428 8.9428 11.2984 11.2984 11.3238 11.3238 12.3104 12.3104 12.7653 12.7653 k = 0.0395 0.0253 0.9253 ( 2268 PWs) bands (ev): -53.5696 -53.5696 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0847 4.0847 4.8231 4.8231 5.6675 5.6675 6.1528 6.1528 7.2045 7.2045 7.8464 7.8464 8.9293 8.9293 11.2984 11.2984 11.3238 11.3238 12.2492 12.2492 12.7675 12.7675 k = 0.0526 0.0338 0.9253 ( 2264 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0894 4.0894 4.8297 4.8297 5.6481 5.6481 6.1223 6.1223 7.2332 7.2332 7.8953 7.8953 8.9105 8.9105 11.2984 11.2984 11.3238 11.3238 12.1711 12.1711 12.7705 12.7705 k = 0.0658 0.0422 0.9253 ( 2248 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.0953 4.0953 4.8381 4.8381 5.6245 5.6245 6.0862 6.0862 7.2689 7.2689 7.9549 7.9549 8.8866 8.8866 11.2984 11.2984 11.3238 11.3238 12.0801 12.0801 12.7746 12.7746 k = 0.0789 0.0507 0.9253 ( 2248 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1023 4.1023 4.8484 4.8484 5.5971 5.5971 6.0460 6.0460 7.3109 7.3109 8.0235 8.0235 8.8577 8.8577 11.2984 11.2984 11.3238 11.3238 11.9794 11.9794 12.7796 12.7796 k = 0.0921 0.0591 0.9253 ( 2244 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1102 4.1102 4.8605 4.8605 5.5666 5.5666 6.0032 6.0032 7.3584 7.3584 8.0994 8.0994 8.8239 8.8239 11.2984 11.2984 11.3238 11.3238 11.8716 11.8716 12.7857 12.7857 k = 0.1053 0.0676 0.9253 ( 2240 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1189 4.1189 4.8744 4.8744 5.5338 5.5338 5.9592 5.9592 7.4107 7.4107 8.1809 8.1809 8.7856 8.7856 11.2984 11.2984 11.3237 11.3237 11.7591 11.7591 12.7929 12.7929 k = 0.1184 0.0760 0.9253 ( 2234 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1282 4.1282 4.8902 4.8902 5.4992 5.4992 5.9153 5.9153 7.4671 7.4671 8.2665 8.2665 8.7428 8.7428 11.2984 11.2984 11.3237 11.3237 11.6440 11.6440 12.8013 12.8013 k = 0.1316 0.0845 0.9253 ( 2234 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1379 4.1379 4.9077 4.9077 5.4634 5.4634 5.8724 5.8724 7.5270 7.5270 8.3547 8.3547 8.6960 8.6960 11.2984 11.2984 11.3235 11.3235 11.5281 11.5281 12.8109 12.8109 k = 0.1447 0.0929 0.9253 ( 2240 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1477 4.1477 4.9270 4.9270 5.4267 5.4267 5.8315 5.8315 7.5899 7.5899 8.4436 8.4436 8.6454 8.6454 11.2983 11.2983 11.3230 11.3230 11.4139 11.4139 12.8218 12.8218 k = 0.1579 0.1014 0.9253 ( 2244 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1573 4.1573 4.9480 4.9480 5.3896 5.3896 5.7934 5.7934 7.6552 7.6552 8.5317 8.5317 8.5912 8.5912 11.2947 11.2947 11.3019 11.3019 11.3271 11.3271 12.8341 12.8341 k = 0.1711 0.1098 0.9253 ( 2244 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1664 4.1664 4.9707 4.9707 5.3524 5.3524 5.7589 5.7589 7.7224 7.7224 8.5339 8.5339 8.6170 8.6170 11.1946 11.1946 11.2986 11.2986 11.3245 11.3245 12.8479 12.8479 k = 0.1842 0.1183 0.9253 ( 2240 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1749 4.1749 4.9950 4.9950 5.3154 5.3154 5.7285 5.7285 7.7912 7.7912 8.4737 8.4737 8.6970 8.6970 11.0970 11.0970 11.2985 11.2985 11.3243 11.3243 12.8633 12.8633 k = 0.1974 0.1267 0.9253 ( 2240 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1822 4.1822 5.0210 5.0210 5.2788 5.2788 5.7028 5.7028 7.8610 7.8610 8.4110 8.4110 8.7690 8.7690 11.0101 11.0101 11.2985 11.2985 11.3242 11.3242 12.8805 12.8805 k = 0.2105 0.1352 0.9253 ( 2236 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1883 4.1883 5.0484 5.0484 5.2429 5.2429 5.6823 5.6823 7.9314 7.9314 8.3460 8.3460 8.8302 8.8302 10.9373 10.9373 11.2985 11.2985 11.3241 11.3241 12.8994 12.8994 k = 0.2237 0.1436 0.9253 ( 2236 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1928 4.1928 5.0773 5.0773 5.2079 5.2079 5.6673 5.6673 8.0022 8.0022 8.2793 8.2793 8.8770 8.8770 10.8820 10.8820 11.2985 11.2985 11.3241 11.3241 12.9201 12.9201 k = 0.2368 0.1521 0.9253 ( 2232 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1956 4.1956 5.1076 5.1076 5.1740 5.1740 5.6583 5.6583 8.0729 8.0729 8.2110 8.2110 8.9067 8.9067 10.8473 10.8473 11.2985 11.2985 11.3241 11.3241 12.9425 12.9425 k = 0.2500 0.1605 0.9253 ( 2228 PWs) bands (ev): -53.5695 -53.5695 -28.0011 -28.0011 -27.2325 -27.2325 -27.0897 -27.0897 4.1965 4.1965 5.1354 5.1354 5.1450 5.1450 5.6552 5.6552 8.1408 8.1408 8.1439 8.1439 8.9168 8.9168 10.8354 10.8354 11.2985 11.2985 11.3241 11.3241 12.9596 12.9596 Writing output data file Al3V.save init_run : 0.35s CPU 0.49s WALL ( 1 calls) electrons : 113.53s CPU 115.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 113.52s CPU 115.26s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 390 calls) cegterg : 102.40s CPU 103.75s WALL ( 551 calls) Called by sum_band: Called by *egterg: h_psi : 72.53s CPU 73.75s WALL ( 9250 calls) s_psi : 3.23s CPU 3.24s WALL ( 9250 calls) g_psi : 0.11s CPU 0.10s WALL ( 8309 calls) cdiaghg : 29.20s CPU 29.68s WALL ( 8699 calls) cegterg:over : 2.22s CPU 2.20s WALL ( 8309 calls) cegterg:upda : 1.85s CPU 1.73s WALL ( 8309 calls) cegterg:last : 0.98s CPU 1.02s WALL ( 1595 calls) cdiaghg:chol : 1.69s CPU 1.65s WALL ( 8699 calls) cdiaghg:inve : 0.73s CPU 0.71s WALL ( 8699 calls) cdiaghg:para : 1.83s CPU 1.78s WALL ( 17398 calls) Called by h_psi: h_psi:vloc : 65.57s CPU 66.73s WALL ( 9250 calls) h_psi:vnl : 6.90s CPU 6.93s WALL ( 9250 calls) add_vuspsi : 3.80s CPU 3.83s WALL ( 9250 calls) General routines calbec : 3.08s CPU 3.08s WALL ( 9250 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.90s CPU 60.00s WALL ( 588556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 780 calls) Parallel routines fft_scatter : 19.47s CPU 19.58s WALL ( 588579 calls) PWSCF : 2m 3.30s CPU 2m23.69s WALL This run was terminated on: 18:37:29 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=