Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:23 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: ./NaScO2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 55 36 11 1201 642 105 Max 56 37 12 1202 665 108 Sum 1993 1325 397 43241 23525 3839 bravais-lattice index = 14 lattice parameter (alat) = 10.8151 a.u. unit-cell volume = 317.6986 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.815067 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.846986 celldm(5)= 0.846986 celldm(6)= 0.846986 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.846986 0.531615 0.000000 ) a(3) = ( 0.846986 0.243787 0.472422 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.593232 -0.970694 ) b(2) = ( 0.000000 1.881060 -0.970694 ) b(3) = ( 0.000000 0.000000 2.116751 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0084746 -0.0135020 -0.0082262), wk = 0.0026042 k( 3) = ( 0.0169491 -0.0270039 -0.0164524), wk = 0.0026042 k( 4) = ( 0.0254237 -0.0405059 -0.0246787), wk = 0.0026042 k( 5) = ( 0.0338983 -0.0540079 -0.0329049), wk = 0.0026042 k( 6) = ( 0.0423729 -0.0675098 -0.0411311), wk = 0.0026042 k( 7) = ( 0.0508475 -0.0810118 -0.0493573), wk = 0.0026042 k( 8) = ( 0.0593220 -0.0945137 -0.0575835), wk = 0.0026042 k( 9) = ( 0.0677966 -0.1080157 -0.0658098), wk = 0.0026042 k( 10) = ( 0.0762712 -0.1215177 -0.0740360), wk = 0.0026042 k( 11) = ( 0.0847458 -0.1350196 -0.0822622), wk = 0.0026042 k( 12) = ( 0.0932203 -0.1485216 -0.0904884), wk = 0.0026042 k( 13) = ( 0.1016949 -0.1620236 -0.0987147), wk = 0.0026042 k( 14) = ( 0.1101695 -0.1755255 -0.1069409), wk = 0.0026042 k( 15) = ( 0.1186441 -0.1890275 -0.1151671), wk = 0.0026042 k( 16) = ( 0.1271186 -0.2025294 -0.1233933), wk = 0.0026042 k( 17) = ( 0.1355932 -0.2160314 -0.1316195), wk = 0.0026042 k( 18) = ( 0.1440678 -0.2295334 -0.1398458), wk = 0.0026042 k( 19) = ( 0.1525424 -0.2430353 -0.1480720), wk = 0.0026042 k( 20) = ( 0.1610169 -0.2565373 -0.1562982), wk = 0.0026042 k( 21) = ( 0.1694915 -0.2700393 -0.1645244), wk = 0.0026042 k( 22) = ( 0.1779661 -0.2835412 -0.1727506), wk = 0.0026042 k( 23) = ( 0.1864407 -0.2970432 -0.1809769), wk = 0.0026042 k( 24) = ( 0.1949153 -0.3105451 -0.1892031), wk = 0.0026042 k( 25) = ( 0.2033898 -0.3240471 -0.1974293), wk = 0.0026042 k( 26) = ( 0.2118644 -0.3375491 -0.2056555), wk = 0.0026042 k( 27) = ( 0.2203390 -0.3510510 -0.2138817), wk = 0.0026042 k( 28) = ( 0.2288136 -0.3645530 -0.2221080), wk = 0.0026042 k( 29) = ( 0.2372881 -0.3780550 -0.2303342), wk = 0.0026042 k( 30) = ( 0.2457627 -0.3915569 -0.2385604), wk = 0.0026042 k( 31) = ( 0.2542373 -0.4050589 -0.2467866), wk = 0.0026042 k( 32) = ( 0.2627119 -0.4185608 -0.2550128), wk = 0.0026042 k( 33) = ( 0.2711864 -0.4320628 -0.2632391), wk = 0.0026042 k( 34) = ( 0.2796610 -0.4455648 -0.2714653), wk = 0.0026042 k( 35) = ( 0.2881356 -0.4590667 -0.2796915), wk = 0.0026042 k( 36) = ( 0.2966102 -0.4725687 -0.2879177), wk = 0.0026042 k( 37) = ( 0.3050848 -0.4860707 -0.2961440), wk = 0.0026042 k( 38) = ( 0.3135593 -0.4995726 -0.3043702), wk = 0.0026042 k( 39) = ( 0.3220339 -0.5130746 -0.3125964), wk = 0.0026042 k( 40) = ( 0.3305085 -0.5265765 -0.3208226), wk = 0.0026042 k( 41) = ( 0.3389831 -0.5400785 -0.3290488), wk = 0.0026042 k( 42) = ( 0.3474576 -0.5535805 -0.3372751), wk = 0.0026042 k( 43) = ( 0.3559322 -0.5670824 -0.3455013), wk = 0.0026042 k( 44) = ( 0.3644068 -0.5805844 -0.3537275), wk = 0.0026042 k( 45) = ( 0.3728814 -0.5940864 -0.3619537), wk = 0.0026042 k( 46) = ( 0.3813559 -0.6075883 -0.3701799), wk = 0.0026042 k( 47) = ( 0.3898305 -0.6210903 -0.3784062), wk = 0.0026042 k( 48) = ( 0.3983051 -0.6345922 -0.3866324), wk = 0.0026042 k( 49) = ( 0.4067797 -0.6480942 -0.3948586), wk = 0.0026042 k( 50) = ( 0.4152542 -0.6615962 -0.4030848), wk = 0.0026042 k( 51) = ( 0.4237288 -0.6750981 -0.4113110), wk = 0.0026042 k( 52) = ( 0.4322034 -0.6886001 -0.4195373), wk = 0.0026042 k( 53) = ( 0.4406780 -0.7021021 -0.4277635), wk = 0.0026042 k( 54) = ( 0.4491525 -0.7156040 -0.4359897), wk = 0.0026042 k( 55) = ( 0.4576271 -0.7291060 -0.4442159), wk = 0.0026042 k( 56) = ( 0.4661017 -0.7426079 -0.4524421), wk = 0.0026042 k( 57) = ( 0.4745763 -0.7561099 -0.4606684), wk = 0.0026042 k( 58) = ( 0.4830508 -0.7696119 -0.4688946), wk = 0.0026042 k( 59) = ( 0.4915254 -0.7831138 -0.4771208), wk = 0.0026042 k( 60) = ( 0.5000000 -0.7966158 -0.4853470), wk = 0.0026042 k( 61) = ( 0.5000000 -0.7966158 -0.4853470), wk = 0.0026042 k( 62) = ( 0.5000000 -0.7871800 -0.5008343), wk = 0.0026042 k( 63) = ( 0.5000000 -0.7777442 -0.5163215), wk = 0.0026042 k( 64) = ( 0.5000000 -0.7683085 -0.5318088), wk = 0.0026042 k( 65) = ( 0.5000000 -0.7588727 -0.5472961), wk = 0.0026042 k( 66) = ( 0.5000000 -0.7494369 -0.5627833), wk = 0.0026042 k( 67) = ( 0.5000000 -0.7400011 -0.5782705), wk = 0.0026042 k( 68) = ( 0.5000000 -0.7305653 -0.5937578), wk = 0.0026042 k( 69) = ( 0.5000000 -0.7211296 -0.6092450), wk = 0.0026042 k( 70) = ( 0.5000000 -0.7116938 -0.6247323), wk = 0.0026042 k( 71) = ( 0.5000000 -0.7022580 -0.6402196), wk = 0.0026042 k( 72) = ( 0.5000000 -0.6928222 -0.6557068), wk = 0.0026042 k( 73) = ( 0.5000000 -0.6833864 -0.6711941), wk = 0.0026042 k( 74) = ( 0.5000000 -0.6739507 -0.6866813), wk = 0.0026042 k( 75) = ( 0.5000000 -0.6645149 -0.7021686), wk = 0.0026042 k( 76) = ( 0.5000000 -0.6550791 -0.7176558), wk = 0.0026042 k( 77) = ( 0.5000000 -0.6456433 -0.7331431), wk = 0.0026042 k( 78) = ( 0.5000000 -0.6362075 -0.7486303), wk = 0.0026042 k( 79) = ( 0.5000000 -0.6267717 -0.7641176), wk = 0.0026042 k( 80) = ( 0.5000000 -0.6173360 -0.7796048), wk = 0.0026042 k( 81) = ( 0.5000000 -0.6079002 -0.7950921), wk = 0.0026042 k( 82) = ( 0.5000000 -0.5984644 -0.8105793), wk = 0.0026042 k( 83) = ( 0.5000000 -0.5890286 -0.8260666), wk = 0.0026042 k( 84) = ( 0.5000000 -0.5795928 -0.8415538), wk = 0.0026042 k( 85) = ( 0.5000000 -0.5701571 -0.8570411), wk = 0.0026042 k( 86) = ( 0.5000000 -0.5607213 -0.8725284), wk = 0.0026042 k( 87) = ( 0.5000000 -0.5512855 -0.8880156), wk = 0.0026042 k( 88) = ( 0.5000000 -0.5418497 -0.9035029), wk = 0.0026042 k( 89) = ( 0.5000000 -0.5324139 -0.9189901), wk = 0.0026042 k( 90) = ( 0.5000000 -0.5229781 -0.9344774), wk = 0.0026042 k( 91) = ( 0.5000000 -0.5135424 -0.9499646), wk = 0.0026042 k( 92) = ( 0.5000000 -0.5041066 -0.9654519), wk = 0.0026042 k( 93) = ( 0.5000000 -0.4946708 -0.9809391), wk = 0.0026042 k( 94) = ( 0.5000000 -0.4852350 -0.9964264), wk = 0.0026042 k( 95) = ( 0.5000000 -0.4757992 -1.0119136), wk = 0.0026042 k( 96) = ( 0.5000000 -0.4663635 -1.0274009), wk = 0.0026042 k( 97) = ( 0.5000000 -0.4569277 -1.0428881), wk = 0.0026042 k( 98) = ( 0.5000000 -0.4474919 -1.0583754), wk = 0.0026042 k( 99) = ( 0.8144005 -0.3569985 -0.8830127), wk = 0.0026042 k( 100) = ( 0.8094100 -0.3490475 -0.8676049), wk = 0.0026042 k( 101) = ( 0.8044195 -0.3410965 -0.8521970), wk = 0.0026042 k( 102) = ( 0.7994290 -0.3331455 -0.8367892), wk = 0.0026042 k( 103) = ( 0.7944385 -0.3251945 -0.8213813), wk = 0.0026042 k( 104) = ( 0.7894480 -0.3172435 -0.8059735), wk = 0.0026042 k( 105) = ( 0.7844575 -0.3092925 -0.7905657), wk = 0.0026042 k( 106) = ( 0.7794671 -0.3013415 -0.7751578), wk = 0.0026042 k( 107) = ( 0.7744766 -0.2933905 -0.7597500), wk = 0.0026042 k( 108) = ( 0.7694861 -0.2854395 -0.7443421), wk = 0.0026042 k( 109) = ( 0.7644956 -0.2774886 -0.7289343), wk = 0.0026042 k( 110) = ( 0.7595051 -0.2695375 -0.7135264), wk = 0.0026042 k( 111) = ( 0.7545146 -0.2615866 -0.6981186), wk = 0.0026042 k( 112) = ( 0.7495242 -0.2536356 -0.6827108), wk = 0.0026042 k( 113) = ( 0.7445337 -0.2456846 -0.6673029), wk = 0.0026042 k( 114) = ( 0.7395432 -0.2377336 -0.6518951), wk = 0.0026042 k( 115) = ( 0.7345527 -0.2297826 -0.6364872), wk = 0.0026042 k( 116) = ( 0.7295622 -0.2218316 -0.6210794), wk = 0.0026042 k( 117) = ( 0.7245717 -0.2138806 -0.6056715), wk = 0.0026042 k( 118) = ( 0.7195813 -0.2059296 -0.5902637), wk = 0.0026042 k( 119) = ( 0.7145908 -0.1979786 -0.5748559), wk = 0.0026042 k( 120) = ( 0.7096003 -0.1900276 -0.5594480), wk = 0.0026042 k( 121) = ( 0.7046098 -0.1820766 -0.5440402), wk = 0.0026042 k( 122) = ( 0.6996193 -0.1741256 -0.5286323), wk = 0.0026042 k( 123) = ( 0.6946288 -0.1661746 -0.5132245), wk = 0.0026042 k( 124) = ( 0.6896384 -0.1582236 -0.4978167), wk = 0.0026042 k( 125) = ( 0.6846479 -0.1502726 -0.4824088), wk = 0.0026042 k( 126) = ( 0.6796574 -0.1423216 -0.4670010), wk = 0.0026042 k( 127) = ( 0.6746669 -0.1343706 -0.4515931), wk = 0.0026042 k( 128) = ( 0.6696764 -0.1264196 -0.4361853), wk = 0.0026042 k( 129) = ( 0.6646859 -0.1184686 -0.4207774), wk = 0.0026042 k( 130) = ( 0.6596955 -0.1105176 -0.4053696), wk = 0.0026042 k( 131) = ( 0.6547050 -0.1025666 -0.3899618), wk = 0.0026042 k( 132) = ( 0.6497145 -0.0946156 -0.3745539), wk = 0.0026042 k( 133) = ( 0.6447240 -0.0866647 -0.3591461), wk = 0.0026042 k( 134) = ( 0.6397335 -0.0787136 -0.3437382), wk = 0.0026042 k( 135) = ( 0.6347430 -0.0707627 -0.3283304), wk = 0.0026042 k( 136) = ( 0.6297526 -0.0628117 -0.3129226), wk = 0.0026042 k( 137) = ( 0.6247621 -0.0548607 -0.2975147), wk = 0.0026042 k( 138) = ( 0.6197716 -0.0469097 -0.2821069), wk = 0.0026042 k( 139) = ( 0.6147811 -0.0389587 -0.2666990), wk = 0.0026042 k( 140) = ( 0.6097906 -0.0310077 -0.2512912), wk = 0.0026042 k( 141) = ( 0.6048001 -0.0230567 -0.2358833), wk = 0.0026042 k( 142) = ( 0.5998097 -0.0151057 -0.2204755), wk = 0.0026042 k( 143) = ( 0.5948192 -0.0071547 -0.2050676), wk = 0.0026042 k( 144) = ( 0.5898287 0.0007963 -0.1896598), wk = 0.0026042 k( 145) = ( 0.5848382 0.0087473 -0.1742520), wk = 0.0026042 k( 146) = ( 0.5798477 0.0166983 -0.1588441), wk = 0.0026042 k( 147) = ( 0.5748572 0.0246493 -0.1434363), wk = 0.0026042 k( 148) = ( 0.5698668 0.0326003 -0.1280285), wk = 0.0026042 k( 149) = ( 0.5648763 0.0405513 -0.1126206), wk = 0.0026042 k( 150) = ( 0.5598858 0.0485023 -0.0972128), wk = 0.0026042 k( 151) = ( 0.5548953 0.0564533 -0.0818049), wk = 0.0026042 k( 152) = ( 0.5499048 0.0644043 -0.0663971), wk = 0.0026042 k( 153) = ( 0.5449143 0.0723553 -0.0509892), wk = 0.0026042 k( 154) = ( 0.5399239 0.0803063 -0.0355814), wk = 0.0026042 k( 155) = ( 0.5349334 0.0882573 -0.0201735), wk = 0.0026042 k( 156) = ( 0.5299429 0.0962083 -0.0047657), wk = 0.0026042 k( 157) = ( 0.5249524 0.1041592 0.0106421), wk = 0.0026042 k( 158) = ( 0.5199619 0.1121102 0.0260500), wk = 0.0026042 k( 159) = ( 0.5149714 0.1200612 0.0414578), wk = 0.0026042 k( 160) = ( 0.5099810 0.1280122 0.0568656), wk = 0.0026042 k( 161) = ( 0.5049905 0.1359632 0.0722735), wk = 0.0026042 k( 162) = ( 0.5000000 0.1439142 0.0876813), wk = 0.0026042 k( 163) = ( 0.5000000 0.1439142 0.0876813), wk = 0.0026042 k( 164) = ( 0.4827586 0.1389517 0.0846578), wk = 0.0026042 k( 165) = ( 0.4655172 0.1339891 0.0816344), wk = 0.0026042 k( 166) = ( 0.4482759 0.1290265 0.0786109), wk = 0.0026042 k( 167) = ( 0.4310345 0.1240640 0.0755874), wk = 0.0026042 k( 168) = ( 0.4137931 0.1191014 0.0725639), wk = 0.0026042 k( 169) = ( 0.3965517 0.1141389 0.0695404), wk = 0.0026042 k( 170) = ( 0.3793103 0.1091763 0.0665169), wk = 0.0026042 k( 171) = ( 0.3620690 0.1042138 0.0634934), wk = 0.0026042 k( 172) = ( 0.3448276 0.0992512 0.0604699), wk = 0.0026042 k( 173) = ( 0.3275862 0.0942886 0.0574464), wk = 0.0026042 k( 174) = ( 0.3103448 0.0893261 0.0544229), wk = 0.0026042 k( 175) = ( 0.2931034 0.0843635 0.0513994), wk = 0.0026042 k( 176) = ( 0.2758621 0.0794010 0.0483759), wk = 0.0026042 k( 177) = ( 0.2586207 0.0744384 0.0453524), wk = 0.0026042 k( 178) = ( 0.2413793 0.0694758 0.0423289), wk = 0.0026042 k( 179) = ( 0.2241379 0.0645133 0.0393054), wk = 0.0026042 k( 180) = ( 0.2068966 0.0595507 0.0362819), wk = 0.0026042 k( 181) = ( 0.1896552 0.0545882 0.0332584), wk = 0.0026042 k( 182) = ( 0.1724138 0.0496256 0.0302349), wk = 0.0026042 k( 183) = ( 0.1551724 0.0446630 0.0272115), wk = 0.0026042 k( 184) = ( 0.1379310 0.0397005 0.0241880), wk = 0.0026042 k( 185) = ( 0.1206897 0.0347379 0.0211645), wk = 0.0026042 k( 186) = ( 0.1034483 0.0297754 0.0181410), wk = 0.0026042 k( 187) = ( 0.0862069 0.0248128 0.0151175), wk = 0.0026042 k( 188) = ( 0.0689655 0.0198502 0.0120940), wk = 0.0026042 k( 189) = ( 0.0517241 0.0148877 0.0090705), wk = 0.0026042 k( 190) = ( 0.0344828 0.0099251 0.0060470), wk = 0.0026042 k( 191) = ( 0.0172414 0.0049626 0.0030235), wk = 0.0026042 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 194) = ( 0.0049681 -0.0079153 -0.0153388), wk = 0.0026042 k( 195) = ( 0.0099362 -0.0158307 -0.0306776), wk = 0.0026042 k( 196) = ( 0.0149043 -0.0237461 -0.0460163), wk = 0.0026042 k( 197) = ( 0.0198724 -0.0316614 -0.0613551), wk = 0.0026042 k( 198) = ( 0.0248406 -0.0395768 -0.0766939), wk = 0.0026042 k( 199) = ( 0.0298087 -0.0474921 -0.0920327), wk = 0.0026042 k( 200) = ( 0.0347768 -0.0554075 -0.1073714), wk = 0.0026042 k( 201) = ( 0.0397449 -0.0633228 -0.1227102), wk = 0.0026042 k( 202) = ( 0.0447130 -0.0712382 -0.1380490), wk = 0.0026042 k( 203) = ( 0.0496811 -0.0791535 -0.1533877), wk = 0.0026042 k( 204) = ( 0.0546492 -0.0870689 -0.1687265), wk = 0.0026042 k( 205) = ( 0.0596173 -0.0949842 -0.1840653), wk = 0.0026042 k( 206) = ( 0.0645855 -0.1028996 -0.1994040), wk = 0.0026042 k( 207) = ( 0.0695536 -0.1108150 -0.2147428), wk = 0.0026042 k( 208) = ( 0.0745217 -0.1187303 -0.2300816), wk = 0.0026042 k( 209) = ( 0.0794898 -0.1266457 -0.2454204), wk = 0.0026042 k( 210) = ( 0.0844579 -0.1345610 -0.2607592), wk = 0.0026042 k( 211) = ( 0.0894260 -0.1424764 -0.2760979), wk = 0.0026042 k( 212) = ( 0.0943941 -0.1503917 -0.2914367), wk = 0.0026042 k( 213) = ( 0.0993622 -0.1583071 -0.3067755), wk = 0.0026042 k( 214) = ( 0.1043304 -0.1662224 -0.3221143), wk = 0.0026042 k( 215) = ( 0.1092985 -0.1741378 -0.3374530), wk = 0.0026042 k( 216) = ( 0.1142666 -0.1820531 -0.3527918), wk = 0.0026042 k( 217) = ( 0.1192347 -0.1899685 -0.3681306), wk = 0.0026042 k( 218) = ( 0.1242028 -0.1978839 -0.3834694), wk = 0.0026042 k( 219) = ( 0.1291709 -0.2057992 -0.3988081), wk = 0.0026042 k( 220) = ( 0.1341390 -0.2137146 -0.4141469), wk = 0.0026042 k( 221) = ( 0.1391072 -0.2216299 -0.4294857), wk = 0.0026042 k( 222) = ( 0.1440753 -0.2295453 -0.4448244), wk = 0.0026042 k( 223) = ( 0.1490434 -0.2374606 -0.4601632), wk = 0.0026042 k( 224) = ( 0.1540115 -0.2453760 -0.4755020), wk = 0.0026042 k( 225) = ( 0.1589796 -0.2532913 -0.4908408), wk = 0.0026042 k( 226) = ( 0.1639477 -0.2612067 -0.5061795), wk = 0.0026042 k( 227) = ( 0.1689158 -0.2691220 -0.5215183), wk = 0.0026042 k( 228) = ( 0.1738839 -0.2770374 -0.5368571), wk = 0.0026042 k( 229) = ( 0.1788521 -0.2849528 -0.5521959), wk = 0.0026042 k( 230) = ( 0.1838202 -0.2928681 -0.5675346), wk = 0.0026042 k( 231) = ( 0.1887883 -0.3007835 -0.5828734), wk = 0.0026042 k( 232) = ( 0.1937564 -0.3086988 -0.5982122), wk = 0.0026042 k( 233) = ( 0.1987245 -0.3166142 -0.6135510), wk = 0.0026042 k( 234) = ( 0.2036926 -0.3245295 -0.6288897), wk = 0.0026042 k( 235) = ( 0.2086607 -0.3324449 -0.6442285), wk = 0.0026042 k( 236) = ( 0.2136288 -0.3403602 -0.6595673), wk = 0.0026042 k( 237) = ( 0.2185970 -0.3482756 -0.6749061), wk = 0.0026042 k( 238) = ( 0.2235651 -0.3561909 -0.6902448), wk = 0.0026042 k( 239) = ( 0.2285332 -0.3641063 -0.7055836), wk = 0.0026042 k( 240) = ( 0.2335013 -0.3720217 -0.7209224), wk = 0.0026042 k( 241) = ( 0.2384694 -0.3799370 -0.7362611), wk = 0.0026042 k( 242) = ( 0.2434375 -0.3878524 -0.7515999), wk = 0.0026042 k( 243) = ( 0.2484056 -0.3957677 -0.7669387), wk = 0.0026042 k( 244) = ( 0.2533738 -0.4036831 -0.7822775), wk = 0.0026042 k( 245) = ( 0.2583419 -0.4115984 -0.7976162), wk = 0.0026042 k( 246) = ( 0.2633100 -0.4195138 -0.8129550), wk = 0.0026042 k( 247) = ( 0.2682781 -0.4274291 -0.8282938), wk = 0.0026042 k( 248) = ( 0.2732462 -0.4353445 -0.8436326), wk = 0.0026042 k( 249) = ( 0.2782143 -0.4432598 -0.8589713), wk = 0.0026042 k( 250) = ( 0.2831824 -0.4511752 -0.8743101), wk = 0.0026042 k( 251) = ( 0.2881505 -0.4590905 -0.8896489), wk = 0.0026042 k( 252) = ( 0.2931186 -0.4670059 -0.9049877), wk = 0.0026042 k( 253) = ( 0.2980868 -0.4749212 -0.9203264), wk = 0.0026042 k( 254) = ( 0.3030549 -0.4828366 -0.9356652), wk = 0.0026042 k( 255) = ( 0.3080230 -0.4907520 -0.9510040), wk = 0.0026042 k( 256) = ( 0.3129911 -0.4986673 -0.9663428), wk = 0.0026042 k( 257) = ( 0.3179592 -0.5065827 -0.9816815), wk = 0.0026042 k( 258) = ( 0.3229273 -0.5144980 -0.9970203), wk = 0.0026042 k( 259) = ( 0.3278954 -0.5224134 -1.0123591), wk = 0.0026042 k( 260) = ( 0.3328636 -0.5303287 -1.0276978), wk = 0.0026042 k( 261) = ( 0.3378317 -0.5382441 -1.0430366), wk = 0.0026042 k( 262) = ( 0.3427998 -0.5461594 -1.0583754), wk = 0.0026042 k( 263) = ( 0.6572002 -0.4022452 -0.9706941), wk = 0.0026042 k( 264) = ( 0.6522877 -0.3851777 -0.9706941), wk = 0.0026042 k( 265) = ( 0.6473752 -0.3681102 -0.9706941), wk = 0.0026042 k( 266) = ( 0.6424627 -0.3510427 -0.9706941), wk = 0.0026042 k( 267) = ( 0.6375502 -0.3339753 -0.9706941), wk = 0.0026042 k( 268) = ( 0.6326377 -0.3169078 -0.9706941), wk = 0.0026042 k( 269) = ( 0.6277252 -0.2998403 -0.9706941), wk = 0.0026042 k( 270) = ( 0.6228127 -0.2827728 -0.9706941), wk = 0.0026042 k( 271) = ( 0.6179002 -0.2657054 -0.9706941), wk = 0.0026042 k( 272) = ( 0.6129877 -0.2486379 -0.9706941), wk = 0.0026042 k( 273) = ( 0.6080752 -0.2315704 -0.9706941), wk = 0.0026042 k( 274) = ( 0.6031627 -0.2145029 -0.9706941), wk = 0.0026042 k( 275) = ( 0.5982501 -0.1974354 -0.9706941), wk = 0.0026042 k( 276) = ( 0.5933376 -0.1803679 -0.9706941), wk = 0.0026042 k( 277) = ( 0.5884251 -0.1633005 -0.9706941), wk = 0.0026042 k( 278) = ( 0.5835126 -0.1462330 -0.9706941), wk = 0.0026042 k( 279) = ( 0.5786001 -0.1291655 -0.9706941), wk = 0.0026042 k( 280) = ( 0.5736876 -0.1120980 -0.9706941), wk = 0.0026042 k( 281) = ( 0.5687751 -0.0950305 -0.9706941), wk = 0.0026042 k( 282) = ( 0.5638626 -0.0779630 -0.9706941), wk = 0.0026042 k( 283) = ( 0.5589501 -0.0608955 -0.9706941), wk = 0.0026042 k( 284) = ( 0.5540376 -0.0438281 -0.9706941), wk = 0.0026042 k( 285) = ( 0.5491251 -0.0267606 -0.9706941), wk = 0.0026042 k( 286) = ( 0.5442126 -0.0096931 -0.9706941), wk = 0.0026042 k( 287) = ( 0.5393001 0.0073744 -0.9706941), wk = 0.0026042 k( 288) = ( 0.5343876 0.0244418 -0.9706941), wk = 0.0026042 k( 289) = ( 0.5294750 0.0415093 -0.9706941), wk = 0.0026042 k( 290) = ( 0.5245625 0.0585768 -0.9706941), wk = 0.0026042 k( 291) = ( 0.5196500 0.0756443 -0.9706941), wk = 0.0026042 k( 292) = ( 0.5147375 0.0927118 -0.9706941), wk = 0.0026042 k( 293) = ( 0.5098250 0.1097793 -0.9706941), wk = 0.0026042 k( 294) = ( 0.5049125 0.1268467 -0.9706941), wk = 0.0026042 k( 295) = ( 0.5000000 0.1439142 -0.9706941), wk = 0.0026042 k( 296) = ( 0.5000000 0.1439142 -0.9706941), wk = 0.0026042 k( 297) = ( 0.5142909 0.1480276 -0.9627230), wk = 0.0026042 k( 298) = ( 0.5285819 0.1521409 -0.9547520), wk = 0.0026042 k( 299) = ( 0.5428728 0.1562542 -0.9467810), wk = 0.0026042 k( 300) = ( 0.5571637 0.1603676 -0.9388099), wk = 0.0026042 k( 301) = ( 0.5714546 0.1644809 -0.9308389), wk = 0.0026042 k( 302) = ( 0.5857456 0.1685942 -0.9228679), wk = 0.0026042 k( 303) = ( 0.6000365 0.1727076 -0.9148968), wk = 0.0026042 k( 304) = ( 0.6143274 0.1768209 -0.9069258), wk = 0.0026042 k( 305) = ( 0.6286184 0.1809343 -0.8989548), wk = 0.0026042 k( 306) = ( 0.6429093 0.1850476 -0.8909838), wk = 0.0026042 k( 307) = ( 0.6572002 0.1891609 -0.8830127), wk = 0.0026042 k( 308) = ( 0.6572002 0.1891609 -0.8830127), wk = 0.0026042 k( 309) = ( 0.6543420 0.1883383 -0.8653637), wk = 0.0026042 k( 310) = ( 0.6514838 0.1875156 -0.8477147), wk = 0.0026042 k( 311) = ( 0.6486257 0.1866929 -0.8300658), wk = 0.0026042 k( 312) = ( 0.6457675 0.1858703 -0.8124168), wk = 0.0026042 k( 313) = ( 0.6429093 0.1850476 -0.7947678), wk = 0.0026042 k( 314) = ( 0.6400511 0.1842249 -0.7771188), wk = 0.0026042 k( 315) = ( 0.6371929 0.1834023 -0.7594698), wk = 0.0026042 k( 316) = ( 0.6343347 0.1825796 -0.7418209), wk = 0.0026042 k( 317) = ( 0.6314766 0.1817569 -0.7241719), wk = 0.0026042 k( 318) = ( 0.6286184 0.1809343 -0.7065229), wk = 0.0026042 k( 319) = ( 0.6257602 0.1801116 -0.6888739), wk = 0.0026042 k( 320) = ( 0.6229020 0.1792889 -0.6712249), wk = 0.0026042 k( 321) = ( 0.6200438 0.1784663 -0.6535759), wk = 0.0026042 k( 322) = ( 0.6171856 0.1776436 -0.6359270), wk = 0.0026042 k( 323) = ( 0.6143274 0.1768209 -0.6182780), wk = 0.0026042 k( 324) = ( 0.6114692 0.1759982 -0.6006290), wk = 0.0026042 k( 325) = ( 0.6086111 0.1751756 -0.5829800), wk = 0.0026042 k( 326) = ( 0.6057529 0.1743529 -0.5653310), wk = 0.0026042 k( 327) = ( 0.6028947 0.1735302 -0.5476820), wk = 0.0026042 k( 328) = ( 0.6000365 0.1727076 -0.5300330), wk = 0.0026042 k( 329) = ( 0.5971783 0.1718849 -0.5123841), wk = 0.0026042 k( 330) = ( 0.5943201 0.1710622 -0.4947351), wk = 0.0026042 k( 331) = ( 0.5914620 0.1702396 -0.4770861), wk = 0.0026042 k( 332) = ( 0.5886038 0.1694169 -0.4594371), wk = 0.0026042 k( 333) = ( 0.5857456 0.1685942 -0.4417882), wk = 0.0026042 k( 334) = ( 0.5828874 0.1677716 -0.4241391), wk = 0.0026042 k( 335) = ( 0.5800292 0.1669489 -0.4064902), wk = 0.0026042 k( 336) = ( 0.5771710 0.1661262 -0.3888412), wk = 0.0026042 k( 337) = ( 0.5743128 0.1653036 -0.3711922), wk = 0.0026042 k( 338) = ( 0.5714546 0.1644809 -0.3535432), wk = 0.0026042 k( 339) = ( 0.5685965 0.1636582 -0.3358942), wk = 0.0026042 k( 340) = ( 0.5657383 0.1628356 -0.3182453), wk = 0.0026042 k( 341) = ( 0.5628801 0.1620129 -0.3005963), wk = 0.0026042 k( 342) = ( 0.5600219 0.1611902 -0.2829473), wk = 0.0026042 k( 343) = ( 0.5571637 0.1603676 -0.2652983), wk = 0.0026042 k( 344) = ( 0.5543055 0.1595449 -0.2476493), wk = 0.0026042 k( 345) = ( 0.5514474 0.1587222 -0.2300003), wk = 0.0026042 k( 346) = ( 0.5485892 0.1578996 -0.2123514), wk = 0.0026042 k( 347) = ( 0.5457310 0.1570769 -0.1947024), wk = 0.0026042 k( 348) = ( 0.5428728 0.1562542 -0.1770534), wk = 0.0026042 k( 349) = ( 0.5400146 0.1554316 -0.1594044), wk = 0.0026042 k( 350) = ( 0.5371564 0.1546089 -0.1417554), wk = 0.0026042 k( 351) = ( 0.5342982 0.1537862 -0.1241064), wk = 0.0026042 k( 352) = ( 0.5314401 0.1529636 -0.1064575), wk = 0.0026042 k( 353) = ( 0.5285819 0.1521409 -0.0888085), wk = 0.0026042 k( 354) = ( 0.5257237 0.1513182 -0.0711595), wk = 0.0026042 k( 355) = ( 0.5228655 0.1504956 -0.0535105), wk = 0.0026042 k( 356) = ( 0.5200073 0.1496729 -0.0358615), wk = 0.0026042 k( 357) = ( 0.5171491 0.1488502 -0.0182126), wk = 0.0026042 k( 358) = ( 0.5142909 0.1480276 -0.0005636), wk = 0.0026042 k( 359) = ( 0.5114327 0.1472049 0.0170854), wk = 0.0026042 k( 360) = ( 0.5085746 0.1463822 0.0347344), wk = 0.0026042 k( 361) = ( 0.5057164 0.1455596 0.0523834), wk = 0.0026042 k( 362) = ( 0.5028582 0.1447369 0.0700324), wk = 0.0026042 k( 363) = ( 0.5000000 0.1439142 0.0876813), wk = 0.0026042 k( 364) = ( 0.5000000 -0.7966158 -0.4853470), wk = 0.0026042 k( 365) = ( 0.5157200 -0.7894201 -0.4809630), wk = 0.0026042 k( 366) = ( 0.5314401 -0.7822244 -0.4765789), wk = 0.0026042 k( 367) = ( 0.5471601 -0.7750287 -0.4721948), wk = 0.0026042 k( 368) = ( 0.5628801 -0.7678330 -0.4678108), wk = 0.0026042 k( 369) = ( 0.5786001 -0.7606372 -0.4634267), wk = 0.0026042 k( 370) = ( 0.5943201 -0.7534415 -0.4590426), wk = 0.0026042 k( 371) = ( 0.6100402 -0.7462458 -0.4546586), wk = 0.0026042 k( 372) = ( 0.6257602 -0.7390501 -0.4502745), wk = 0.0026042 k( 373) = ( 0.6414802 -0.7318544 -0.4458904), wk = 0.0026042 k( 374) = ( 0.6572002 -0.7246587 -0.4415064), wk = 0.0026042 k( 375) = ( 0.6729202 -0.7174630 -0.4371223), wk = 0.0026042 k( 376) = ( 0.6886403 -0.7102673 -0.4327382), wk = 0.0026042 k( 377) = ( 0.7043603 -0.7030716 -0.4283542), wk = 0.0026042 k( 378) = ( 0.7200803 -0.6958759 -0.4239701), wk = 0.0026042 k( 379) = ( 0.7358003 -0.6886801 -0.4195860), wk = 0.0026042 k( 380) = ( 0.7515204 -0.6814844 -0.4152020), wk = 0.0026042 k( 381) = ( 0.7672404 -0.6742887 -0.4108179), wk = 0.0026042 k( 382) = ( 0.7829604 -0.6670930 -0.4064338), wk = 0.0026042 k( 383) = ( 0.7986804 -0.6598973 -0.4020497), wk = 0.0026042 k( 384) = ( 0.8144005 -0.6527016 -0.3976657), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0084746 0.0000000 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0169491 -0.0000000 0.0000000), wk = 0.0026042 k( 4) = ( 0.0254237 0.0000000 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0338983 -0.0000000 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0423729 -0.0000000 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0508475 0.0000000 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0593220 -0.0000000 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0677966 -0.0000000 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0762712 -0.0000000 -0.0000000), wk = 0.0026042 k( 11) = ( 0.0847458 -0.0000000 -0.0000000), wk = 0.0026042 k( 12) = ( 0.0932203 0.0000000 -0.0000000), wk = 0.0026042 k( 13) = ( 0.1016949 0.0000000 -0.0000000), wk = 0.0026042 k( 14) = ( 0.1101695 -0.0000000 -0.0000000), wk = 0.0026042 k( 15) = ( 0.1186441 -0.0000000 -0.0000000), wk = 0.0026042 k( 16) = ( 0.1271186 0.0000000 0.0000000), wk = 0.0026042 k( 17) = ( 0.1355932 -0.0000000 -0.0000000), wk = 0.0026042 k( 18) = ( 0.1440678 -0.0000000 -0.0000000), wk = 0.0026042 k( 19) = ( 0.1525424 0.0000000 0.0000000), wk = 0.0026042 k( 20) = ( 0.1610169 -0.0000000 -0.0000000), wk = 0.0026042 k( 21) = ( 0.1694915 0.0000000 0.0000000), wk = 0.0026042 k( 22) = ( 0.1779661 -0.0000000 -0.0000000), wk = 0.0026042 k( 23) = ( 0.1864407 0.0000000 -0.0000000), wk = 0.0026042 k( 24) = ( 0.1949153 -0.0000000 0.0000000), wk = 0.0026042 k( 25) = ( 0.2033898 -0.0000000 -0.0000000), wk = 0.0026042 k( 26) = ( 0.2118644 0.0000000 0.0000000), wk = 0.0026042 k( 27) = ( 0.2203390 -0.0000000 -0.0000000), wk = 0.0026042 k( 28) = ( 0.2288136 -0.0000000 -0.0000000), wk = 0.0026042 k( 29) = ( 0.2372881 -0.0000000 -0.0000000), wk = 0.0026042 k( 30) = ( 0.2457627 -0.0000000 0.0000000), wk = 0.0026042 k( 31) = ( 0.2542373 -0.0000000 -0.0000000), wk = 0.0026042 k( 32) = ( 0.2627119 -0.0000000 0.0000000), wk = 0.0026042 k( 33) = ( 0.2711864 -0.0000000 -0.0000000), wk = 0.0026042 k( 34) = ( 0.2796610 -0.0000000 -0.0000000), wk = 0.0026042 k( 35) = ( 0.2881356 -0.0000000 -0.0000000), wk = 0.0026042 k( 36) = ( 0.2966102 -0.0000000 -0.0000000), wk = 0.0026042 k( 37) = ( 0.3050848 0.0000000 -0.0000000), wk = 0.0026042 k( 38) = ( 0.3135593 -0.0000000 0.0000000), wk = 0.0026042 k( 39) = ( 0.3220339 -0.0000000 -0.0000000), wk = 0.0026042 k( 40) = ( 0.3305085 -0.0000000 0.0000000), wk = 0.0026042 k( 41) = ( 0.3389831 0.0000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.3474576 -0.0000000 0.0000000), wk = 0.0026042 k( 43) = ( 0.3559322 -0.0000000 -0.0000000), wk = 0.0026042 k( 44) = ( 0.3644068 -0.0000000 0.0000000), wk = 0.0026042 k( 45) = ( 0.3728814 0.0000000 -0.0000000), wk = 0.0026042 k( 46) = ( 0.3813559 -0.0000000 -0.0000000), wk = 0.0026042 k( 47) = ( 0.3898305 0.0000000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.3983051 0.0000000 0.0000000), wk = 0.0026042 k( 49) = ( 0.4067797 -0.0000000 -0.0000000), wk = 0.0026042 k( 50) = ( 0.4152542 -0.0000000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.4237288 -0.0000000 -0.0000000), wk = 0.0026042 k( 52) = ( 0.4322034 -0.0000000 0.0000000), wk = 0.0026042 k( 53) = ( 0.4406780 -0.0000000 0.0000000), wk = 0.0026042 k( 54) = ( 0.4491525 -0.0000000 -0.0000000), wk = 0.0026042 k( 55) = ( 0.4576271 -0.0000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.4661017 -0.0000000 0.0000000), wk = 0.0026042 k( 57) = ( 0.4745763 -0.0000000 -0.0000000), wk = 0.0026042 k( 58) = ( 0.4830508 -0.0000000 -0.0000000), wk = 0.0026042 k( 59) = ( 0.4915254 -0.0000000 0.0000000), wk = 0.0026042 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 62) = ( 0.5000000 0.0050162 -0.0050162), wk = 0.0026042 k( 63) = ( 0.5000000 0.0100324 -0.0100324), wk = 0.0026042 k( 64) = ( 0.5000000 0.0150486 -0.0150486), wk = 0.0026042 k( 65) = ( 0.5000000 0.0200648 -0.0200648), wk = 0.0026042 k( 66) = ( 0.5000000 0.0250810 -0.0250810), wk = 0.0026042 k( 67) = ( 0.5000000 0.0300972 -0.0300972), wk = 0.0026042 k( 68) = ( 0.5000000 0.0351134 -0.0351134), wk = 0.0026042 k( 69) = ( 0.5000000 0.0401296 -0.0401296), wk = 0.0026042 k( 70) = ( 0.5000000 0.0451458 -0.0451458), wk = 0.0026042 k( 71) = ( 0.5000000 0.0501620 -0.0501620), wk = 0.0026042 k( 72) = ( 0.5000000 0.0551782 -0.0551782), wk = 0.0026042 k( 73) = ( 0.5000000 0.0601944 -0.0601944), wk = 0.0026042 k( 74) = ( 0.5000000 0.0652106 -0.0652107), wk = 0.0026042 k( 75) = ( 0.5000000 0.0702269 -0.0702269), wk = 0.0026042 k( 76) = ( 0.5000000 0.0752431 -0.0752431), wk = 0.0026042 k( 77) = ( 0.5000000 0.0802593 -0.0802593), wk = 0.0026042 k( 78) = ( 0.5000000 0.0852755 -0.0852755), wk = 0.0026042 k( 79) = ( 0.5000000 0.0902917 -0.0902917), wk = 0.0026042 k( 80) = ( 0.5000000 0.0953079 -0.0953079), wk = 0.0026042 k( 81) = ( 0.5000000 0.1003241 -0.1003241), wk = 0.0026042 k( 82) = ( 0.5000000 0.1053403 -0.1053403), wk = 0.0026042 k( 83) = ( 0.5000000 0.1103565 -0.1103565), wk = 0.0026042 k( 84) = ( 0.5000000 0.1153727 -0.1153727), wk = 0.0026042 k( 85) = ( 0.5000000 0.1203889 -0.1203889), wk = 0.0026042 k( 86) = ( 0.5000000 0.1254051 -0.1254051), wk = 0.0026042 k( 87) = ( 0.5000000 0.1304213 -0.1304213), wk = 0.0026042 k( 88) = ( 0.5000000 0.1354375 -0.1354375), wk = 0.0026042 k( 89) = ( 0.5000000 0.1404537 -0.1404537), wk = 0.0026042 k( 90) = ( 0.5000000 0.1454699 -0.1454699), wk = 0.0026042 k( 91) = ( 0.5000000 0.1504861 -0.1504861), wk = 0.0026042 k( 92) = ( 0.5000000 0.1555023 -0.1555023), wk = 0.0026042 k( 93) = ( 0.5000000 0.1605185 -0.1605185), wk = 0.0026042 k( 94) = ( 0.5000000 0.1655347 -0.1655347), wk = 0.0026042 k( 95) = ( 0.5000000 0.1705509 -0.1705509), wk = 0.0026042 k( 96) = ( 0.5000000 0.1755671 -0.1755671), wk = 0.0026042 k( 97) = ( 0.5000000 0.1805833 -0.1805833), wk = 0.0026042 k( 98) = ( 0.5000000 0.1855995 -0.1855996), wk = 0.0026042 k( 99) = ( 0.8144005 0.5000000 0.1855996), wk = 0.0026042 k( 100) = ( 0.8094100 0.5000000 0.1905900), wk = 0.0026042 k( 101) = ( 0.8044195 0.5000000 0.1955805), wk = 0.0026042 k( 102) = ( 0.7994290 0.5000000 0.2005710), wk = 0.0026042 k( 103) = ( 0.7944385 0.5000000 0.2055615), wk = 0.0026042 k( 104) = ( 0.7894480 0.5000000 0.2105520), wk = 0.0026042 k( 105) = ( 0.7844575 0.5000000 0.2155424), wk = 0.0026042 k( 106) = ( 0.7794671 0.5000000 0.2205329), wk = 0.0026042 k( 107) = ( 0.7744766 0.5000000 0.2255234), wk = 0.0026042 k( 108) = ( 0.7694861 0.5000000 0.2305139), wk = 0.0026042 k( 109) = ( 0.7644956 0.5000000 0.2355044), wk = 0.0026042 k( 110) = ( 0.7595051 0.5000000 0.2404949), wk = 0.0026042 k( 111) = ( 0.7545146 0.5000000 0.2454853), wk = 0.0026042 k( 112) = ( 0.7495242 0.5000000 0.2504758), wk = 0.0026042 k( 113) = ( 0.7445337 0.5000000 0.2554663), wk = 0.0026042 k( 114) = ( 0.7395432 0.5000000 0.2604568), wk = 0.0026042 k( 115) = ( 0.7345527 0.5000000 0.2654473), wk = 0.0026042 k( 116) = ( 0.7295622 0.5000000 0.2704378), wk = 0.0026042 k( 117) = ( 0.7245717 0.5000000 0.2754282), wk = 0.0026042 k( 118) = ( 0.7195813 0.5000000 0.2804187), wk = 0.0026042 k( 119) = ( 0.7145908 0.5000000 0.2854092), wk = 0.0026042 k( 120) = ( 0.7096003 0.5000000 0.2903997), wk = 0.0026042 k( 121) = ( 0.7046098 0.5000000 0.2953902), wk = 0.0026042 k( 122) = ( 0.6996193 0.5000000 0.3003807), wk = 0.0026042 k( 123) = ( 0.6946288 0.5000000 0.3053711), wk = 0.0026042 k( 124) = ( 0.6896384 0.5000000 0.3103616), wk = 0.0026042 k( 125) = ( 0.6846479 0.5000000 0.3153521), wk = 0.0026042 k( 126) = ( 0.6796574 0.5000000 0.3203426), wk = 0.0026042 k( 127) = ( 0.6746669 0.5000000 0.3253331), wk = 0.0026042 k( 128) = ( 0.6696764 0.5000000 0.3303236), wk = 0.0026042 k( 129) = ( 0.6646859 0.5000000 0.3353140), wk = 0.0026042 k( 130) = ( 0.6596955 0.5000000 0.3403045), wk = 0.0026042 k( 131) = ( 0.6547050 0.5000000 0.3452950), wk = 0.0026042 k( 132) = ( 0.6497145 0.5000000 0.3502855), wk = 0.0026042 k( 133) = ( 0.6447240 0.5000000 0.3552760), wk = 0.0026042 k( 134) = ( 0.6397335 0.5000000 0.3602665), wk = 0.0026042 k( 135) = ( 0.6347430 0.5000000 0.3652570), wk = 0.0026042 k( 136) = ( 0.6297526 0.5000000 0.3702474), wk = 0.0026042 k( 137) = ( 0.6247621 0.5000000 0.3752379), wk = 0.0026042 k( 138) = ( 0.6197716 0.5000000 0.3802284), wk = 0.0026042 k( 139) = ( 0.6147811 0.5000000 0.3852189), wk = 0.0026042 k( 140) = ( 0.6097906 0.5000000 0.3902094), wk = 0.0026042 k( 141) = ( 0.6048001 0.5000000 0.3951999), wk = 0.0026042 k( 142) = ( 0.5998097 0.5000000 0.4001903), wk = 0.0026042 k( 143) = ( 0.5948192 0.5000000 0.4051808), wk = 0.0026042 k( 144) = ( 0.5898287 0.5000000 0.4101713), wk = 0.0026042 k( 145) = ( 0.5848382 0.5000000 0.4151618), wk = 0.0026042 k( 146) = ( 0.5798477 0.5000000 0.4201523), wk = 0.0026042 k( 147) = ( 0.5748572 0.5000000 0.4251428), wk = 0.0026042 k( 148) = ( 0.5698668 0.5000000 0.4301332), wk = 0.0026042 k( 149) = ( 0.5648763 0.5000000 0.4351237), wk = 0.0026042 k( 150) = ( 0.5598858 0.5000000 0.4401142), wk = 0.0026042 k( 151) = ( 0.5548953 0.5000000 0.4451047), wk = 0.0026042 k( 152) = ( 0.5499048 0.5000000 0.4500952), wk = 0.0026042 k( 153) = ( 0.5449143 0.5000000 0.4550857), wk = 0.0026042 k( 154) = ( 0.5399239 0.5000000 0.4600761), wk = 0.0026042 k( 155) = ( 0.5349334 0.5000000 0.4650666), wk = 0.0026042 k( 156) = ( 0.5299429 0.5000000 0.4700571), wk = 0.0026042 k( 157) = ( 0.5249524 0.5000000 0.4750476), wk = 0.0026042 k( 158) = ( 0.5199619 0.5000000 0.4800381), wk = 0.0026042 k( 159) = ( 0.5149714 0.5000000 0.4850286), wk = 0.0026042 k( 160) = ( 0.5099810 0.5000000 0.4900190), wk = 0.0026042 k( 161) = ( 0.5049905 0.5000000 0.4950095), wk = 0.0026042 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 164) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0026042 k( 165) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0026042 k( 166) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0026042 k( 167) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0026042 k( 168) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0026042 k( 169) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0026042 k( 170) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0026042 k( 171) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0026042 k( 172) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0026042 k( 173) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0026042 k( 174) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0026042 k( 175) = ( 0.2931034 0.2931035 0.2931035), wk = 0.0026042 k( 176) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0026042 k( 177) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0026042 k( 178) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0026042 k( 179) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0026042 k( 180) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0026042 k( 181) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0026042 k( 182) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0026042 k( 183) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0026042 k( 184) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0026042 k( 185) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0026042 k( 186) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0026042 k( 187) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0026042 k( 188) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0026042 k( 189) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0026042 k( 190) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0026042 k( 191) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0026042 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 194) = ( 0.0049681 -0.0000000 -0.0049681), wk = 0.0026042 k( 195) = ( 0.0099362 0.0000000 -0.0099362), wk = 0.0026042 k( 196) = ( 0.0149043 -0.0000000 -0.0149043), wk = 0.0026042 k( 197) = ( 0.0198724 -0.0000000 -0.0198725), wk = 0.0026042 k( 198) = ( 0.0248406 -0.0000000 -0.0248406), wk = 0.0026042 k( 199) = ( 0.0298087 -0.0000000 -0.0298087), wk = 0.0026042 k( 200) = ( 0.0347768 0.0000000 -0.0347768), wk = 0.0026042 k( 201) = ( 0.0397449 -0.0000000 -0.0397449), wk = 0.0026042 k( 202) = ( 0.0447130 0.0000000 -0.0447130), wk = 0.0026042 k( 203) = ( 0.0496811 0.0000000 -0.0496811), wk = 0.0026042 k( 204) = ( 0.0546492 0.0000000 -0.0546492), wk = 0.0026042 k( 205) = ( 0.0596173 -0.0000000 -0.0596173), wk = 0.0026042 k( 206) = ( 0.0645855 0.0000000 -0.0645855), wk = 0.0026042 k( 207) = ( 0.0695536 0.0000000 -0.0695536), wk = 0.0026042 k( 208) = ( 0.0745217 -0.0000000 -0.0745217), wk = 0.0026042 k( 209) = ( 0.0794898 -0.0000000 -0.0794898), wk = 0.0026042 k( 210) = ( 0.0844579 0.0000000 -0.0844579), wk = 0.0026042 k( 211) = ( 0.0894260 -0.0000000 -0.0894260), wk = 0.0026042 k( 212) = ( 0.0943941 -0.0000000 -0.0943941), wk = 0.0026042 k( 213) = ( 0.0993622 -0.0000000 -0.0993622), wk = 0.0026042 k( 214) = ( 0.1043304 -0.0000000 -0.1043304), wk = 0.0026042 k( 215) = ( 0.1092985 0.0000000 -0.1092985), wk = 0.0026042 k( 216) = ( 0.1142666 -0.0000000 -0.1142666), wk = 0.0026042 k( 217) = ( 0.1192347 -0.0000000 -0.1192347), wk = 0.0026042 k( 218) = ( 0.1242028 0.0000000 -0.1242028), wk = 0.0026042 k( 219) = ( 0.1291709 -0.0000000 -0.1291709), wk = 0.0026042 k( 220) = ( 0.1341390 -0.0000000 -0.1341390), wk = 0.0026042 k( 221) = ( 0.1391072 -0.0000000 -0.1391072), wk = 0.0026042 k( 222) = ( 0.1440753 -0.0000000 -0.1440753), wk = 0.0026042 k( 223) = ( 0.1490434 -0.0000000 -0.1490434), wk = 0.0026042 k( 224) = ( 0.1540115 -0.0000000 -0.1540115), wk = 0.0026042 k( 225) = ( 0.1589796 -0.0000000 -0.1589796), wk = 0.0026042 k( 226) = ( 0.1639477 -0.0000000 -0.1639477), wk = 0.0026042 k( 227) = ( 0.1689158 -0.0000000 -0.1689158), wk = 0.0026042 k( 228) = ( 0.1738839 0.0000000 -0.1738839), wk = 0.0026042 k( 229) = ( 0.1788521 -0.0000000 -0.1788521), wk = 0.0026042 k( 230) = ( 0.1838202 0.0000000 -0.1838202), wk = 0.0026042 k( 231) = ( 0.1887883 -0.0000000 -0.1887883), wk = 0.0026042 k( 232) = ( 0.1937564 -0.0000000 -0.1937564), wk = 0.0026042 k( 233) = ( 0.1987245 -0.0000000 -0.1987245), wk = 0.0026042 k( 234) = ( 0.2036926 0.0000000 -0.2036926), wk = 0.0026042 k( 235) = ( 0.2086607 -0.0000000 -0.2086607), wk = 0.0026042 k( 236) = ( 0.2136288 -0.0000000 -0.2136288), wk = 0.0026042 k( 237) = ( 0.2185970 0.0000000 -0.2185970), wk = 0.0026042 k( 238) = ( 0.2235651 -0.0000000 -0.2235651), wk = 0.0026042 k( 239) = ( 0.2285332 -0.0000000 -0.2285332), wk = 0.0026042 k( 240) = ( 0.2335013 -0.0000000 -0.2335013), wk = 0.0026042 k( 241) = ( 0.2384694 -0.0000000 -0.2384694), wk = 0.0026042 k( 242) = ( 0.2434375 -0.0000000 -0.2434375), wk = 0.0026042 k( 243) = ( 0.2484056 -0.0000000 -0.2484056), wk = 0.0026042 k( 244) = ( 0.2533738 -0.0000000 -0.2533738), wk = 0.0026042 k( 245) = ( 0.2583419 -0.0000000 -0.2583419), wk = 0.0026042 k( 246) = ( 0.2633100 -0.0000000 -0.2633100), wk = 0.0026042 k( 247) = ( 0.2682781 -0.0000000 -0.2682781), wk = 0.0026042 k( 248) = ( 0.2732462 -0.0000000 -0.2732462), wk = 0.0026042 k( 249) = ( 0.2782143 -0.0000000 -0.2782143), wk = 0.0026042 k( 250) = ( 0.2831824 0.0000000 -0.2831824), wk = 0.0026042 k( 251) = ( 0.2881505 -0.0000000 -0.2881505), wk = 0.0026042 k( 252) = ( 0.2931186 -0.0000000 -0.2931186), wk = 0.0026042 k( 253) = ( 0.2980868 -0.0000000 -0.2980868), wk = 0.0026042 k( 254) = ( 0.3030549 0.0000000 -0.3030549), wk = 0.0026042 k( 255) = ( 0.3080230 0.0000000 -0.3080230), wk = 0.0026042 k( 256) = ( 0.3129911 -0.0000000 -0.3129911), wk = 0.0026042 k( 257) = ( 0.3179592 -0.0000000 -0.3179592), wk = 0.0026042 k( 258) = ( 0.3229273 0.0000000 -0.3229273), wk = 0.0026042 k( 259) = ( 0.3278954 -0.0000000 -0.3278954), wk = 0.0026042 k( 260) = ( 0.3328636 -0.0000000 -0.3328636), wk = 0.0026042 k( 261) = ( 0.3378317 -0.0000000 -0.3378317), wk = 0.0026042 k( 262) = ( 0.3427998 -0.0000000 -0.3427998), wk = 0.0026042 k( 263) = ( 0.6572002 0.3427998 0.0000000), wk = 0.0026042 k( 264) = ( 0.6522877 0.3477123 0.0000000), wk = 0.0026042 k( 265) = ( 0.6473752 0.3526248 0.0000000), wk = 0.0026042 k( 266) = ( 0.6424627 0.3575373 0.0000000), wk = 0.0026042 k( 267) = ( 0.6375502 0.3624498 -0.0000000), wk = 0.0026042 k( 268) = ( 0.6326377 0.3673623 0.0000000), wk = 0.0026042 k( 269) = ( 0.6277252 0.3722748 0.0000000), wk = 0.0026042 k( 270) = ( 0.6228127 0.3771873 0.0000000), wk = 0.0026042 k( 271) = ( 0.6179002 0.3820998 -0.0000000), wk = 0.0026042 k( 272) = ( 0.6129877 0.3870123 0.0000000), wk = 0.0026042 k( 273) = ( 0.6080752 0.3919248 0.0000000), wk = 0.0026042 k( 274) = ( 0.6031627 0.3968374 0.0000000), wk = 0.0026042 k( 275) = ( 0.5982501 0.4017499 0.0000000), wk = 0.0026042 k( 276) = ( 0.5933376 0.4066624 0.0000000), wk = 0.0026042 k( 277) = ( 0.5884251 0.4115749 -0.0000000), wk = 0.0026042 k( 278) = ( 0.5835126 0.4164874 0.0000000), wk = 0.0026042 k( 279) = ( 0.5786001 0.4213999 0.0000000), wk = 0.0026042 k( 280) = ( 0.5736876 0.4263124 0.0000000), wk = 0.0026042 k( 281) = ( 0.5687751 0.4312249 0.0000000), wk = 0.0026042 k( 282) = ( 0.5638626 0.4361374 0.0000000), wk = 0.0026042 k( 283) = ( 0.5589501 0.4410499 0.0000000), wk = 0.0026042 k( 284) = ( 0.5540376 0.4459624 -0.0000000), wk = 0.0026042 k( 285) = ( 0.5491251 0.4508749 0.0000000), wk = 0.0026042 k( 286) = ( 0.5442126 0.4557874 -0.0000000), wk = 0.0026042 k( 287) = ( 0.5393001 0.4606999 0.0000000), wk = 0.0026042 k( 288) = ( 0.5343876 0.4656125 0.0000000), wk = 0.0026042 k( 289) = ( 0.5294750 0.4705250 0.0000000), wk = 0.0026042 k( 290) = ( 0.5245625 0.4754375 0.0000000), wk = 0.0026042 k( 291) = ( 0.5196500 0.4803500 0.0000000), wk = 0.0026042 k( 292) = ( 0.5147375 0.4852625 -0.0000000), wk = 0.0026042 k( 293) = ( 0.5098250 0.4901750 0.0000000), wk = 0.0026042 k( 294) = ( 0.5049125 0.4950875 0.0000000), wk = 0.0026042 k( 295) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 296) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 297) = ( 0.5142909 0.5142909 0.0168727), wk = 0.0026042 k( 298) = ( 0.5285819 0.5285819 0.0337454), wk = 0.0026042 k( 299) = ( 0.5428728 0.5428728 0.0506181), wk = 0.0026042 k( 300) = ( 0.5571637 0.5571637 0.0674907), wk = 0.0026042 k( 301) = ( 0.5714546 0.5714546 0.0843634), wk = 0.0026042 k( 302) = ( 0.5857456 0.5857456 0.1012361), wk = 0.0026042 k( 303) = ( 0.6000365 0.6000365 0.1181088), wk = 0.0026042 k( 304) = ( 0.6143274 0.6143274 0.1349815), wk = 0.0026042 k( 305) = ( 0.6286184 0.6286184 0.1518542), wk = 0.0026042 k( 306) = ( 0.6429093 0.6429093 0.1687269), wk = 0.0026042 k( 307) = ( 0.6572002 0.6572002 0.1855996), wk = 0.0026042 k( 308) = ( 0.6572002 0.6572002 0.1855996), wk = 0.0026042 k( 309) = ( 0.6543420 0.6543420 0.1913159), wk = 0.0026042 k( 310) = ( 0.6514838 0.6514838 0.1970323), wk = 0.0026042 k( 311) = ( 0.6486257 0.6486257 0.2027487), wk = 0.0026042 k( 312) = ( 0.6457675 0.6457675 0.2084650), wk = 0.0026042 k( 313) = ( 0.6429093 0.6429093 0.2141814), wk = 0.0026042 k( 314) = ( 0.6400511 0.6400511 0.2198978), wk = 0.0026042 k( 315) = ( 0.6371929 0.6371929 0.2256142), wk = 0.0026042 k( 316) = ( 0.6343347 0.6343347 0.2313305), wk = 0.0026042 k( 317) = ( 0.6314766 0.6314766 0.2370469), wk = 0.0026042 k( 318) = ( 0.6286184 0.6286184 0.2427633), wk = 0.0026042 k( 319) = ( 0.6257602 0.6257602 0.2484796), wk = 0.0026042 k( 320) = ( 0.6229020 0.6229020 0.2541960), wk = 0.0026042 k( 321) = ( 0.6200438 0.6200438 0.2599124), wk = 0.0026042 k( 322) = ( 0.6171856 0.6171856 0.2656288), wk = 0.0026042 k( 323) = ( 0.6143274 0.6143274 0.2713451), wk = 0.0026042 k( 324) = ( 0.6114692 0.6114692 0.2770615), wk = 0.0026042 k( 325) = ( 0.6086111 0.6086111 0.2827779), wk = 0.0026042 k( 326) = ( 0.6057529 0.6057529 0.2884942), wk = 0.0026042 k( 327) = ( 0.6028947 0.6028947 0.2942106), wk = 0.0026042 k( 328) = ( 0.6000365 0.6000365 0.2999270), wk = 0.0026042 k( 329) = ( 0.5971783 0.5971783 0.3056434), wk = 0.0026042 k( 330) = ( 0.5943201 0.5943201 0.3113597), wk = 0.0026042 k( 331) = ( 0.5914620 0.5914620 0.3170761), wk = 0.0026042 k( 332) = ( 0.5886038 0.5886038 0.3227925), wk = 0.0026042 k( 333) = ( 0.5857456 0.5857456 0.3285088), wk = 0.0026042 k( 334) = ( 0.5828874 0.5828874 0.3342252), wk = 0.0026042 k( 335) = ( 0.5800292 0.5800292 0.3399416), wk = 0.0026042 k( 336) = ( 0.5771710 0.5771710 0.3456580), wk = 0.0026042 k( 337) = ( 0.5743128 0.5743128 0.3513743), wk = 0.0026042 k( 338) = ( 0.5714546 0.5714546 0.3570907), wk = 0.0026042 k( 339) = ( 0.5685965 0.5685965 0.3628071), wk = 0.0026042 k( 340) = ( 0.5657383 0.5657383 0.3685234), wk = 0.0026042 k( 341) = ( 0.5628801 0.5628801 0.3742398), wk = 0.0026042 k( 342) = ( 0.5600219 0.5600219 0.3799562), wk = 0.0026042 k( 343) = ( 0.5571637 0.5571637 0.3856726), wk = 0.0026042 k( 344) = ( 0.5543055 0.5543055 0.3913889), wk = 0.0026042 k( 345) = ( 0.5514474 0.5514474 0.3971053), wk = 0.0026042 k( 346) = ( 0.5485892 0.5485892 0.4028217), wk = 0.0026042 k( 347) = ( 0.5457310 0.5457310 0.4085381), wk = 0.0026042 k( 348) = ( 0.5428728 0.5428728 0.4142544), wk = 0.0026042 k( 349) = ( 0.5400146 0.5400146 0.4199708), wk = 0.0026042 k( 350) = ( 0.5371564 0.5371564 0.4256872), wk = 0.0026042 k( 351) = ( 0.5342982 0.5342982 0.4314035), wk = 0.0026042 k( 352) = ( 0.5314401 0.5314401 0.4371199), wk = 0.0026042 k( 353) = ( 0.5285819 0.5285819 0.4428363), wk = 0.0026042 k( 354) = ( 0.5257237 0.5257237 0.4485527), wk = 0.0026042 k( 355) = ( 0.5228655 0.5228655 0.4542690), wk = 0.0026042 k( 356) = ( 0.5200073 0.5200073 0.4599854), wk = 0.0026042 k( 357) = ( 0.5171491 0.5171491 0.4657018), wk = 0.0026042 k( 358) = ( 0.5142909 0.5142909 0.4714181), wk = 0.0026042 k( 359) = ( 0.5114327 0.5114327 0.4771345), wk = 0.0026042 k( 360) = ( 0.5085746 0.5085746 0.4828509), wk = 0.0026042 k( 361) = ( 0.5057164 0.5057164 0.4885673), wk = 0.0026042 k( 362) = ( 0.5028582 0.5028582 0.4942836), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 364) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 365) = ( 0.5157200 0.0171400 0.0171400), wk = 0.0026042 k( 366) = ( 0.5314401 0.0342800 0.0342800), wk = 0.0026042 k( 367) = ( 0.5471601 0.0514200 0.0514200), wk = 0.0026042 k( 368) = ( 0.5628801 0.0685599 0.0685600), wk = 0.0026042 k( 369) = ( 0.5786001 0.0856999 0.0856999), wk = 0.0026042 k( 370) = ( 0.5943201 0.1028399 0.1028399), wk = 0.0026042 k( 371) = ( 0.6100402 0.1199799 0.1199799), wk = 0.0026042 k( 372) = ( 0.6257602 0.1371199 0.1371199), wk = 0.0026042 k( 373) = ( 0.6414802 0.1542599 0.1542599), wk = 0.0026042 k( 374) = ( 0.6572002 0.1713999 0.1713999), wk = 0.0026042 k( 375) = ( 0.6729202 0.1885399 0.1885399), wk = 0.0026042 k( 376) = ( 0.6886403 0.2056799 0.2056799), wk = 0.0026042 k( 377) = ( 0.7043603 0.2228198 0.2228199), wk = 0.0026042 k( 378) = ( 0.7200803 0.2399598 0.2399598), wk = 0.0026042 k( 379) = ( 0.7358003 0.2570998 0.2570998), wk = 0.0026042 k( 380) = ( 0.7515204 0.2742398 0.2742398), wk = 0.0026042 k( 381) = ( 0.7672404 0.2913798 0.2913798), wk = 0.0026042 k( 382) = ( 0.7829604 0.3085198 0.3085198), wk = 0.0026042 k( 383) = ( 0.7986804 0.3256598 0.3256598), wk = 0.0026042 k( 384) = ( 0.8144005 0.3427998 0.3427998), wk = 0.0026042 Dense grid: 43241 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 23525 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 176, 40) NL pseudopotentials 0.10 Mb ( 88, 76) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1202) G-vector shells 0.01 Mb ( 995) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 176, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./NaScO2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.3 secs Computing kpt #: 37 total cpu time spent up to now is 17.7 secs Computing kpt #: 38 total cpu time spent up to now is 18.1 secs Computing kpt #: 39 total cpu time spent up to now is 18.5 secs Computing kpt #: 40 total cpu time spent up to now is 19.0 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 19.8 secs Computing kpt #: 43 total cpu time spent up to now is 20.2 secs Computing kpt #: 44 total cpu time spent up to now is 20.6 secs Computing kpt #: 45 total cpu time spent up to now is 21.0 secs Computing kpt #: 46 total cpu time spent up to now is 21.5 secs Computing kpt #: 47 total cpu time spent up to now is 21.9 secs Computing kpt #: 48 total cpu time spent up to now is 22.3 secs Computing kpt #: 49 total cpu time spent up to now is 22.7 secs Computing kpt #: 50 total cpu time spent up to now is 23.1 secs Computing kpt #: 51 total cpu time spent up to now is 23.6 secs Computing kpt #: 52 total cpu time spent up to now is 24.0 secs Computing kpt #: 53 total cpu time spent up to now is 24.4 secs Computing kpt #: 54 total cpu time spent up to now is 24.8 secs Computing kpt #: 55 total cpu time spent up to now is 25.3 secs Computing kpt #: 56 total cpu time spent up to now is 25.7 secs Computing kpt #: 57 total cpu time spent up to now is 26.1 secs Computing kpt #: 58 total cpu time spent up to now is 26.6 secs Computing kpt #: 59 total cpu time spent up to now is 27.0 secs Computing kpt #: 60 total cpu time spent up to now is 27.4 secs Computing kpt #: 61 total cpu time spent up to now is 27.9 secs Computing kpt #: 62 total cpu time spent up to now is 28.3 secs Computing kpt #: 63 total cpu time spent up to now is 28.7 secs Computing kpt #: 64 total cpu time spent up to now is 29.2 secs Computing kpt #: 65 total cpu time spent up to now is 29.6 secs Computing kpt #: 66 total cpu time spent up to now is 30.1 secs Computing kpt #: 67 total cpu time spent up to now is 30.5 secs Computing kpt #: 68 total cpu time spent up to now is 30.9 secs Computing kpt #: 69 total cpu time spent up to now is 31.7 secs Computing kpt #: 70 total cpu time spent up to now is 32.4 secs Computing kpt #: 71 total cpu time spent up to now is 32.9 secs Computing kpt #: 72 total cpu time spent up to now is 33.4 secs Computing kpt #: 73 total cpu time spent up to now is 33.9 secs Computing kpt #: 74 total cpu time spent up to now is 34.5 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 36.0 secs Computing kpt #: 78 total cpu time spent up to now is 36.4 secs Computing kpt #: 79 total cpu time spent up to now is 36.9 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.8 secs Computing kpt #: 82 total cpu time spent up to now is 38.2 secs Computing kpt #: 83 total cpu time spent up to now is 38.6 secs Computing kpt #: 84 total cpu time spent up to now is 39.1 secs Computing kpt #: 85 total cpu time spent up to now is 39.5 secs Computing kpt #: 86 total cpu time spent up to now is 39.9 secs Computing kpt #: 87 total cpu time spent up to now is 40.3 secs Computing kpt #: 88 total cpu time spent up to now is 40.8 secs Computing kpt #: 89 total cpu time spent up to now is 41.2 secs Computing kpt #: 90 total cpu time spent up to now is 41.6 secs Computing kpt #: 91 total cpu time spent up to now is 42.1 secs Computing kpt #: 92 total cpu time spent up to now is 42.5 secs Computing kpt #: 93 total cpu time spent up to now is 42.9 secs Computing kpt #: 94 total cpu time spent up to now is 43.4 secs Computing kpt #: 95 total cpu time spent up to now is 43.8 secs Computing kpt #: 96 total cpu time spent up to now is 44.3 secs Computing kpt #: 97 total cpu time spent up to now is 44.7 secs Computing kpt #: 98 total cpu time spent up to now is 45.1 secs Computing kpt #: 99 total cpu time spent up to now is 45.6 secs Computing kpt #: 100 total cpu time spent up to now is 46.0 secs Computing kpt #: 101 total cpu time spent up to now is 46.5 secs Computing kpt #: 102 total cpu time spent up to now is 46.9 secs Computing kpt #: 103 total cpu time spent up to now is 47.4 secs Computing kpt #: 104 total cpu time spent up to now is 47.8 secs Computing kpt #: 105 total cpu time spent up to now is 48.3 secs Computing kpt #: 106 total cpu time spent up to now is 48.7 secs Computing kpt #: 107 total cpu time spent up to now is 49.2 secs Computing kpt #: 108 total cpu time spent up to now is 49.6 secs Computing kpt #: 109 total cpu time spent up to now is 50.1 secs Computing kpt #: 110 total cpu time spent up to now is 50.6 secs Computing kpt #: 111 total cpu time spent up to now is 51.1 secs Computing kpt #: 112 total cpu time spent up to now is 51.8 secs Computing kpt #: 113 total cpu time spent up to now is 52.2 secs Computing kpt #: 114 total cpu time spent up to now is 52.7 secs Computing kpt #: 115 total cpu time spent up to now is 53.1 secs Computing kpt #: 116 total cpu time spent up to now is 53.5 secs Computing kpt #: 117 total cpu time spent up to now is 54.0 secs Computing kpt #: 118 total cpu time spent up to now is 54.4 secs Computing kpt #: 119 total cpu time spent up to now is 54.8 secs Computing kpt #: 120 total cpu time spent up to now is 55.2 secs Computing kpt #: 121 total cpu time spent up to now is 55.6 secs Computing kpt #: 122 total cpu time spent up to now is 56.1 secs Computing kpt #: 123 total cpu time spent up to now is 56.5 secs Computing kpt #: 124 total cpu time spent up to now is 56.9 secs Computing kpt #: 125 total cpu time spent up to now is 57.3 secs Computing kpt #: 126 total cpu time spent up to now is 57.8 secs Computing kpt #: 127 total cpu time spent up to now is 58.2 secs Computing kpt #: 128 total cpu time spent up to now is 58.6 secs Computing kpt #: 129 total cpu time spent up to now is 59.0 secs Computing kpt #: 130 total cpu time spent up to now is 59.4 secs Computing kpt #: 131 total cpu time spent up to now is 59.8 secs Computing kpt #: 132 total cpu time spent up to now is 60.2 secs Computing kpt #: 133 total cpu time spent up to now is 60.6 secs Computing kpt #: 134 total cpu time spent up to now is 61.0 secs Computing kpt #: 135 total cpu time spent up to now is 61.4 secs Computing kpt #: 136 total cpu time spent up to now is 61.8 secs Computing kpt #: 137 total cpu time spent up to now is 62.2 secs Computing kpt #: 138 total cpu time spent up to now is 62.6 secs Computing kpt #: 139 total cpu time spent up to now is 63.0 secs Computing kpt #: 140 total cpu time spent up to now is 63.4 secs Computing kpt #: 141 total cpu time spent up to now is 63.8 secs Computing kpt #: 142 total cpu time spent up to now is 64.2 secs Computing kpt #: 143 total cpu time spent up to now is 64.6 secs Computing kpt #: 144 total cpu time spent up to now is 65.0 secs Computing kpt #: 145 total cpu time spent up to now is 65.4 secs Computing kpt #: 146 total cpu time spent up to now is 65.8 secs Computing kpt #: 147 total cpu time spent up to now is 66.2 secs Computing kpt #: 148 total cpu time spent up to now is 66.7 secs Computing kpt #: 149 total cpu time spent up to now is 67.1 secs Computing kpt #: 150 total cpu time spent up to now is 67.5 secs Computing kpt #: 151 total cpu time spent up to now is 67.8 secs Computing kpt #: 152 total cpu time spent up to now is 68.2 secs Computing kpt #: 153 total cpu time spent up to now is 68.6 secs Computing kpt #: 154 total cpu time spent up to now is 69.0 secs Computing kpt #: 155 total cpu time spent up to now is 69.4 secs Computing kpt #: 156 total cpu time spent up to now is 69.8 secs Computing kpt #: 157 total cpu time spent up to now is 70.2 secs Computing kpt #: 158 total cpu time spent up to now is 70.6 secs Computing kpt #: 159 total cpu time spent up to now is 71.0 secs Computing kpt #: 160 total cpu time spent up to now is 71.4 secs Computing kpt #: 161 total cpu time spent up to now is 71.8 secs Computing kpt #: 162 total cpu time spent up to now is 72.2 secs Computing kpt #: 163 total cpu time spent up to now is 72.6 secs Computing kpt #: 164 total cpu time spent up to now is 73.1 secs Computing kpt #: 165 total cpu time spent up to now is 73.5 secs Computing kpt #: 166 total cpu time spent up to now is 73.9 secs Computing kpt #: 167 total cpu time spent up to now is 74.3 secs Computing kpt #: 168 total cpu time spent up to now is 74.7 secs Computing kpt #: 169 total cpu time spent up to now is 75.1 secs Computing kpt #: 170 total cpu time spent up to now is 75.5 secs Computing kpt #: 171 total cpu time spent up to now is 75.9 secs Computing kpt #: 172 total cpu time spent up to now is 76.3 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 77.1 secs Computing kpt #: 175 total cpu time spent up to now is 77.5 secs Computing kpt #: 176 total cpu time spent up to now is 77.9 secs Computing kpt #: 177 total cpu time spent up to now is 78.3 secs Computing kpt #: 178 total cpu time spent up to now is 78.7 secs Computing kpt #: 179 total cpu time spent up to now is 79.1 secs Computing kpt #: 180 total cpu time spent up to now is 79.5 secs Computing kpt #: 181 total cpu time spent up to now is 79.9 secs Computing kpt #: 182 total cpu time spent up to now is 80.3 secs Computing kpt #: 183 total cpu time spent up to now is 80.7 secs Computing kpt #: 184 total cpu time spent up to now is 81.0 secs Computing kpt #: 185 total cpu time spent up to now is 81.4 secs Computing kpt #: 186 total cpu time spent up to now is 81.8 secs Computing kpt #: 187 total cpu time spent up to now is 82.2 secs Computing kpt #: 188 total cpu time spent up to now is 82.6 secs Computing kpt #: 189 total cpu time spent up to now is 83.0 secs Computing kpt #: 190 total cpu time spent up to now is 83.4 secs Computing kpt #: 191 total cpu time spent up to now is 83.8 secs Computing kpt #: 192 total cpu time spent up to now is 84.2 secs Computing kpt #: 193 total cpu time spent up to now is 84.5 secs Computing kpt #: 194 total cpu time spent up to now is 84.9 secs Computing kpt #: 195 total cpu time spent up to now is 85.3 secs Computing kpt #: 196 total cpu time spent up to now is 85.7 secs Computing kpt #: 197 total cpu time spent up to now is 86.1 secs Computing kpt #: 198 total cpu time spent up to now is 86.5 secs Computing kpt #: 199 total cpu time spent up to now is 86.9 secs Computing kpt #: 200 total cpu time spent up to now is 87.3 secs Computing kpt #: 201 total cpu time spent up to now is 87.7 secs Computing kpt #: 202 total cpu time spent up to now is 88.1 secs Computing kpt #: 203 total cpu time spent up to now is 88.5 secs Computing kpt #: 204 total cpu time spent up to now is 88.9 secs Computing kpt #: 205 total cpu time spent up to now is 89.2 secs Computing kpt #: 206 total cpu time spent up to now is 89.6 secs Computing kpt #: 207 total cpu time spent up to now is 90.0 secs Computing kpt #: 208 total cpu time spent up to now is 90.4 secs Computing kpt #: 209 total cpu time spent up to now is 90.8 secs Computing kpt #: 210 total cpu time spent up to now is 91.2 secs Computing kpt #: 211 total cpu time spent up to now is 91.6 secs Computing kpt #: 212 total cpu time spent up to now is 92.0 secs Computing kpt #: 213 total cpu time spent up to now is 92.4 secs Computing kpt #: 214 total cpu time spent up to now is 92.8 secs Computing kpt #: 215 total cpu time spent up to now is 93.3 secs Computing kpt #: 216 total cpu time spent up to now is 93.7 secs Computing kpt #: 217 total cpu time spent up to now is 94.1 secs Computing kpt #: 218 total cpu time spent up to now is 94.5 secs Computing kpt #: 219 total cpu time spent up to now is 94.9 secs Computing kpt #: 220 total cpu time spent up to now is 95.3 secs Computing kpt #: 221 total cpu time spent up to now is 95.8 secs Computing kpt #: 222 total cpu time spent up to now is 96.2 secs Computing kpt #: 223 total cpu time spent up to now is 96.7 secs Computing kpt #: 224 total cpu time spent up to now is 97.1 secs Computing kpt #: 225 total cpu time spent up to now is 97.5 secs Computing kpt #: 226 total cpu time spent up to now is 97.9 secs Computing kpt #: 227 total cpu time spent up to now is 98.3 secs Computing kpt #: 228 total cpu time spent up to now is 98.7 secs Computing kpt #: 229 total cpu time spent up to now is 99.2 secs Computing kpt #: 230 total cpu time spent up to now is 99.6 secs Computing kpt #: 231 total cpu time spent up to now is 100.0 secs Computing kpt #: 232 total cpu time spent up to now is 100.4 secs Computing kpt #: 233 total cpu time spent up to now is 100.8 secs Computing kpt #: 234 total cpu time spent up to now is 101.2 secs Computing kpt #: 235 total cpu time spent up to now is 101.7 secs Computing kpt #: 236 total cpu time spent up to now is 102.1 secs Computing kpt #: 237 total cpu time spent up to now is 102.5 secs Computing kpt #: 238 total cpu time spent up to now is 103.0 secs Computing kpt #: 239 total cpu time spent up to now is 103.4 secs Computing kpt #: 240 total cpu time spent up to now is 103.8 secs Computing kpt #: 241 total cpu time spent up to now is 104.2 secs Computing kpt #: 242 total cpu time spent up to now is 104.6 secs Computing kpt #: 243 total cpu time spent up to now is 105.0 secs Computing kpt #: 244 total cpu time spent up to now is 105.4 secs Computing kpt #: 245 total cpu time spent up to now is 105.9 secs Computing kpt #: 246 total cpu time spent up to now is 106.3 secs Computing kpt #: 247 total cpu time spent up to now is 106.7 secs Computing kpt #: 248 total cpu time spent up to now is 107.1 secs Computing kpt #: 249 total cpu time spent up to now is 107.5 secs Computing kpt #: 250 total cpu time spent up to now is 107.9 secs Computing kpt #: 251 total cpu time spent up to now is 108.4 secs Computing kpt #: 252 total cpu time spent up to now is 108.8 secs Computing kpt #: 253 total cpu time spent up to now is 109.2 secs Computing kpt #: 254 total cpu time spent up to now is 109.7 secs Computing kpt #: 255 total cpu time spent up to now is 110.1 secs Computing kpt #: 256 total cpu time spent up to now is 110.5 secs Computing kpt #: 257 total cpu time spent up to now is 110.9 secs Computing kpt #: 258 total cpu time spent up to now is 111.4 secs Computing kpt #: 259 total cpu time spent up to now is 111.8 secs Computing kpt #: 260 total cpu time spent up to now is 112.2 secs Computing kpt #: 261 total cpu time spent up to now is 112.7 secs Computing kpt #: 262 total cpu time spent up to now is 113.1 secs Computing kpt #: 263 total cpu time spent up to now is 113.6 secs Computing kpt #: 264 total cpu time spent up to now is 114.0 secs Computing kpt #: 265 total cpu time spent up to now is 114.5 secs Computing kpt #: 266 total cpu time spent up to now is 114.9 secs Computing kpt #: 267 total cpu time spent up to now is 115.3 secs Computing kpt #: 268 total cpu time spent up to now is 115.8 secs Computing kpt #: 269 total cpu time spent up to now is 116.2 secs Computing kpt #: 270 total cpu time spent up to now is 116.7 secs Computing kpt #: 271 total cpu time spent up to now is 117.1 secs Computing kpt #: 272 total cpu time spent up to now is 117.5 secs Computing kpt #: 273 total cpu time spent up to now is 118.0 secs Computing kpt #: 274 total cpu time spent up to now is 118.4 secs Computing kpt #: 275 total cpu time spent up to now is 118.8 secs Computing kpt #: 276 total cpu time spent up to now is 119.3 secs Computing kpt #: 277 total cpu time spent up to now is 119.7 secs Computing kpt #: 278 total cpu time spent up to now is 120.1 secs Computing kpt #: 279 total cpu time spent up to now is 120.6 secs Computing kpt #: 280 total cpu time spent up to now is 121.0 secs Computing kpt #: 281 total cpu time spent up to now is 121.4 secs Computing kpt #: 282 total cpu time spent up to now is 121.9 secs Computing kpt #: 283 total cpu time spent up to now is 122.3 secs Computing kpt #: 284 total cpu time spent up to now is 122.8 secs Computing kpt #: 285 total cpu time spent up to now is 123.2 secs Computing kpt #: 286 total cpu time spent up to now is 123.7 secs Computing kpt #: 287 total cpu time spent up to now is 124.2 secs Computing kpt #: 288 total cpu time spent up to now is 124.6 secs Computing kpt #: 289 total cpu time spent up to now is 125.1 secs Computing kpt #: 290 total cpu time spent up to now is 125.5 secs Computing kpt #: 291 total cpu time spent up to now is 126.0 secs Computing kpt #: 292 total cpu time spent up to now is 126.5 secs Computing kpt #: 293 total cpu time spent up to now is 126.9 secs Computing kpt #: 294 total cpu time spent up to now is 127.4 secs Computing kpt #: 295 total cpu time spent up to now is 127.8 secs Computing kpt #: 296 total cpu time spent up to now is 128.3 secs Computing kpt #: 297 total cpu time spent up to now is 128.7 secs Computing kpt #: 298 total cpu time spent up to now is 129.2 secs Computing kpt #: 299 total cpu time spent up to now is 129.6 secs Computing kpt #: 300 total cpu time spent up to now is 130.0 secs Computing kpt #: 301 total cpu time spent up to now is 130.5 secs Computing kpt #: 302 total cpu time spent up to now is 130.9 secs Computing kpt #: 303 total cpu time spent up to now is 131.7 secs Computing kpt #: 304 total cpu time spent up to now is 132.1 secs Computing kpt #: 305 total cpu time spent up to now is 132.6 secs Computing kpt #: 306 total cpu time spent up to now is 133.0 secs Computing kpt #: 307 total cpu time spent up to now is 133.5 secs Computing kpt #: 308 total cpu time spent up to now is 133.9 secs Computing kpt #: 309 total cpu time spent up to now is 134.3 secs Computing kpt #: 310 total cpu time spent up to now is 134.8 secs Computing kpt #: 311 total cpu time spent up to now is 135.2 secs Computing kpt #: 312 total cpu time spent up to now is 135.6 secs Computing kpt #: 313 total cpu time spent up to now is 136.0 secs Computing kpt #: 314 total cpu time spent up to now is 136.5 secs Computing kpt #: 315 total cpu time spent up to now is 136.9 secs Computing kpt #: 316 total cpu time spent up to now is 137.3 secs Computing kpt #: 317 total cpu time spent up to now is 137.7 secs Computing kpt #: 318 total cpu time spent up to now is 138.1 secs Computing kpt #: 319 total cpu time spent up to now is 138.5 secs Computing kpt #: 320 total cpu time spent up to now is 138.9 secs Computing kpt #: 321 total cpu time spent up to now is 139.3 secs Computing kpt #: 322 total cpu time spent up to now is 139.7 secs Computing kpt #: 323 total cpu time spent up to now is 140.2 secs Computing kpt #: 324 total cpu time spent up to now is 140.6 secs Computing kpt #: 325 total cpu time spent up to now is 141.0 secs Computing kpt #: 326 total cpu time spent up to now is 141.4 secs Computing kpt #: 327 total cpu time spent up to now is 141.8 secs Computing kpt #: 328 total cpu time spent up to now is 142.2 secs Computing kpt #: 329 total cpu time spent up to now is 142.6 secs Computing kpt #: 330 total cpu time spent up to now is 143.0 secs Computing kpt #: 331 total cpu time spent up to now is 143.4 secs Computing kpt #: 332 total cpu time spent up to now is 143.8 secs Computing kpt #: 333 total cpu time spent up to now is 144.2 secs Computing kpt #: 334 total cpu time spent up to now is 144.6 secs Computing kpt #: 335 total cpu time spent up to now is 145.0 secs Computing kpt #: 336 total cpu time spent up to now is 145.4 secs Computing kpt #: 337 total cpu time spent up to now is 145.8 secs Computing kpt #: 338 total cpu time spent up to now is 146.2 secs Computing kpt #: 339 total cpu time spent up to now is 146.6 secs Computing kpt #: 340 total cpu time spent up to now is 147.0 secs Computing kpt #: 341 total cpu time spent up to now is 147.4 secs Computing kpt #: 342 total cpu time spent up to now is 147.8 secs Computing kpt #: 343 total cpu time spent up to now is 148.2 secs Computing kpt #: 344 total cpu time spent up to now is 148.6 secs Computing kpt #: 345 total cpu time spent up to now is 148.9 secs Computing kpt #: 346 total cpu time spent up to now is 149.3 secs Computing kpt #: 347 total cpu time spent up to now is 149.7 secs Computing kpt #: 348 total cpu time spent up to now is 150.1 secs Computing kpt #: 349 total cpu time spent up to now is 150.5 secs Computing kpt #: 350 total cpu time spent up to now is 150.9 secs Computing kpt #: 351 total cpu time spent up to now is 151.3 secs Computing kpt #: 352 total cpu time spent up to now is 151.7 secs Computing kpt #: 353 total cpu time spent up to now is 152.1 secs Computing kpt #: 354 total cpu time spent up to now is 152.5 secs Computing kpt #: 355 total cpu time spent up to now is 152.9 secs Computing kpt #: 356 total cpu time spent up to now is 153.3 secs Computing kpt #: 357 total cpu time spent up to now is 153.6 secs Computing kpt #: 358 total cpu time spent up to now is 154.0 secs Computing kpt #: 359 total cpu time spent up to now is 154.4 secs Computing kpt #: 360 total cpu time spent up to now is 154.8 secs Computing kpt #: 361 total cpu time spent up to now is 155.2 secs Computing kpt #: 362 total cpu time spent up to now is 155.7 secs Computing kpt #: 363 total cpu time spent up to now is 156.1 secs Computing kpt #: 364 total cpu time spent up to now is 156.5 secs Computing kpt #: 365 total cpu time spent up to now is 156.9 secs Computing kpt #: 366 total cpu time spent up to now is 157.4 secs Computing kpt #: 367 total cpu time spent up to now is 157.8 secs Computing kpt #: 368 total cpu time spent up to now is 158.3 secs Computing kpt #: 369 total cpu time spent up to now is 158.7 secs Computing kpt #: 370 total cpu time spent up to now is 159.1 secs Computing kpt #: 371 total cpu time spent up to now is 159.6 secs Computing kpt #: 372 total cpu time spent up to now is 160.0 secs Computing kpt #: 373 total cpu time spent up to now is 160.5 secs Computing kpt #: 374 total cpu time spent up to now is 160.9 secs Computing kpt #: 375 total cpu time spent up to now is 161.3 secs Computing kpt #: 376 total cpu time spent up to now is 161.8 secs Computing kpt #: 377 total cpu time spent up to now is 162.2 secs Computing kpt #: 378 total cpu time spent up to now is 162.6 secs Computing kpt #: 379 total cpu time spent up to now is 163.1 secs Computing kpt #: 380 total cpu time spent up to now is 163.5 secs Computing kpt #: 381 total cpu time spent up to now is 164.0 secs Computing kpt #: 382 total cpu time spent up to now is 164.4 secs Computing kpt #: 383 total cpu time spent up to now is 164.8 secs Computing kpt #: 384 total cpu time spent up to now is 165.3 secs ethr = 3.13E-08, avg # of iterations = 16.1 total cpu time spent up to now is 165.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7438 -18.7438 -18.5524 -18.5524 -14.1043 -14.1043 -13.9334 -13.9334 -13.8803 -13.8803 -9.3485 -9.3485 -8.2538 -8.2538 3.5474 3.5474 5.1203 5.1203 5.1347 5.1347 6.6449 6.6449 6.8690 6.8690 6.8959 6.8959 11.7596 11.7596 11.7635 11.7635 12.1475 12.1475 12.2792 12.2792 k = 0.0085-0.0135-0.0082 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3286 -40.3286 -19.2622 -19.2622 -18.7439 -18.7439 -18.5527 -18.5527 -14.1043 -14.1043 -13.9334 -13.9334 -13.8804 -13.8804 -9.3478 -9.3478 -8.2541 -8.2541 3.5485 3.5485 5.1198 5.1198 5.1343 5.1343 6.6456 6.6456 6.8669 6.8669 6.8939 6.8939 11.7598 11.7598 11.7640 11.7640 12.1506 12.1506 12.2795 12.2795 k = 0.0169-0.0270-0.0165 ( 2921 PWs) bands (ev): -42.0518 -42.0518 -40.3285 -40.3285 -19.2622 -19.2622 -18.7443 -18.7443 -18.5535 -18.5535 -14.1043 -14.1043 -13.9335 -13.9335 -13.8806 -13.8806 -9.3456 -9.3456 -8.2550 -8.2550 3.5518 3.5518 5.1179 5.1179 5.1336 5.1336 6.6477 6.6477 6.8600 6.8600 6.8885 6.8885 11.7593 11.7593 11.7667 11.7667 12.1599 12.1599 12.2803 12.2803 k = 0.0254-0.0405-0.0247 ( 2923 PWs) bands (ev): -42.0518 -42.0518 -40.3282 -40.3282 -19.2621 -19.2621 -18.7451 -18.7451 -18.5548 -18.5548 -14.1043 -14.1043 -13.9337 -13.9337 -13.8810 -13.8810 -9.3419 -9.3419 -8.2566 -8.2566 3.5573 3.5573 5.1137 5.1137 5.1336 5.1336 6.6511 6.6511 6.8469 6.8469 6.8814 6.8814 11.7573 11.7573 11.7721 11.7721 12.1751 12.1751 12.2819 12.2819 k = 0.0339-0.0540-0.0329 ( 2922 PWs) bands (ev): -42.0517 -42.0517 -40.3279 -40.3279 -19.2620 -19.2620 -18.7461 -18.7461 -18.5567 -18.5567 -14.1044 -14.1044 -13.9339 -13.9339 -13.8815 -13.8815 -9.3368 -9.3368 -8.2587 -8.2587 3.5650 3.5650 5.1066 5.1066 5.1348 5.1348 6.6556 6.6556 6.8267 6.8267 6.8735 6.8735 11.7541 11.7541 11.7798 11.7798 12.1956 12.1956 12.2846 12.2846 k = 0.0424-0.0675-0.0411 ( 2922 PWs) bands (ev): -42.0516 -42.0516 -40.3275 -40.3275 -19.2620 -19.2620 -18.7474 -18.7474 -18.5591 -18.5591 -14.1045 -14.1045 -13.9342 -13.9342 -13.8822 -13.8822 -9.3303 -9.3303 -8.2614 -8.2614 3.5748 3.5748 5.0970 5.0970 5.1371 5.1371 6.6612 6.6612 6.7996 6.7996 6.8648 6.8648 11.7499 11.7499 11.7898 11.7898 12.2202 12.2202 12.2897 12.2897 k = 0.0508-0.0810-0.0494 ( 2928 PWs) bands (ev): -42.0516 -42.0516 -40.3270 -40.3270 -19.2619 -19.2619 -18.7491 -18.7491 -18.5619 -18.5619 -14.1046 -14.1046 -13.9347 -13.9347 -13.8830 -13.8830 -9.3223 -9.3223 -8.2648 -8.2648 3.5867 3.5867 5.0851 5.0851 5.1404 5.1404 6.6674 6.6674 6.7665 6.7665 6.8553 6.8553 11.7445 11.7445 11.8020 11.8020 12.2449 12.2449 12.3006 12.3006 k = 0.0593-0.0945-0.0576 ( 2930 PWs) bands (ev): -42.0514 -42.0514 -40.3264 -40.3264 -19.2618 -19.2618 -18.7510 -18.7510 -18.5652 -18.5652 -14.1048 -14.1048 -13.9351 -13.9351 -13.8840 -13.8840 -9.3130 -9.3130 -8.2686 -8.2686 3.6007 3.6007 5.0714 5.0714 5.1444 5.1444 6.6734 6.6734 6.7286 6.7286 6.8445 6.8445 11.7379 11.7379 11.8162 11.8162 12.2629 12.2629 12.3243 12.3243 k = 0.0678-0.1080-0.0658 ( 2931 PWs) bands (ev): -42.0513 -42.0513 -40.3257 -40.3257 -19.2618 -19.2618 -18.7533 -18.7533 -18.5689 -18.5689 -14.1050 -14.1050 -13.9357 -13.9357 -13.8851 -13.8851 -9.3024 -9.3024 -8.2731 -8.2731 3.6168 3.6168 5.0559 5.0559 5.1490 5.1490 6.6694 6.6694 6.6959 6.6959 6.8326 6.8326 11.7301 11.7301 11.8324 11.8324 12.2727 12.2727 12.3614 12.3614 k = 0.0763-0.1215-0.0740 ( 2933 PWs) bands (ev): -42.0512 -42.0512 -40.3249 -40.3249 -19.2618 -19.2618 -18.7559 -18.7559 -18.5730 -18.5730 -14.1052 -14.1052 -13.9363 -13.9363 -13.8863 -13.8863 -9.2904 -9.2904 -8.2780 -8.2780 3.6348 3.6348 5.0390 5.0390 5.1543 5.1543 6.6284 6.6284 6.6957 6.6957 6.8196 6.8196 11.7212 11.7212 11.8506 11.8506 12.2790 12.2790 12.4070 12.4070 k = 0.0847-0.1350-0.0823 ( 2928 PWs) bands (ev): -42.0510 -42.0510 -40.3240 -40.3240 -19.2618 -19.2618 -18.7587 -18.7587 -18.5774 -18.5774 -14.1053 -14.1053 -13.9369 -13.9369 -13.8876 -13.8876 -9.2772 -9.2772 -8.2834 -8.2834 3.6548 3.6548 5.0209 5.0209 5.1602 5.1602 6.5756 6.5756 6.7029 6.7029 6.8055 6.8055 11.7112 11.7112 11.8706 11.8706 12.2844 12.2844 12.4580 12.4580 k = 0.0932-0.1485-0.0905 ( 2927 PWs) bands (ev): -42.0508 -42.0508 -40.3230 -40.3230 -19.2619 -19.2619 -18.7619 -18.7619 -18.5821 -18.5821 -14.1056 -14.1056 -13.9376 -13.9376 -13.8889 -13.8889 -9.2628 -9.2628 -8.2893 -8.2893 3.6767 3.6767 5.0019 5.0019 5.1665 5.1665 6.5180 6.5180 6.7106 6.7106 6.7904 6.7904 11.7000 11.7000 11.8923 11.8923 12.2898 12.2898 12.5129 12.5129 k = 0.1017-0.1620-0.0987 ( 2927 PWs) bands (ev): -42.0506 -42.0506 -40.3220 -40.3220 -19.2620 -19.2620 -18.7655 -18.7655 -18.5870 -18.5870 -14.1059 -14.1059 -13.9385 -13.9385 -13.8904 -13.8904 -9.2473 -9.2473 -8.2957 -8.2957 3.7002 3.7002 4.9821 4.9821 5.1734 5.1734 6.4565 6.4565 6.7178 6.7178 6.7747 6.7747 11.6877 11.6877 11.9157 11.9157 12.2955 12.2955 12.5706 12.5706 k = 0.1102-0.1755-0.1069 ( 2925 PWs) bands (ev): -42.0504 -42.0504 -40.3209 -40.3209 -19.2623 -19.2623 -18.7693 -18.7693 -18.5922 -18.5922 -14.1062 -14.1062 -13.9393 -13.9393 -13.8919 -13.8919 -9.2307 -9.2307 -8.3024 -8.3024 3.7255 3.7255 4.9619 4.9619 5.1807 5.1807 6.3917 6.3917 6.7235 6.7235 6.7592 6.7592 11.6744 11.6744 11.9407 11.9407 12.3018 12.3018 12.6302 12.6302 k = 0.1186-0.1890-0.1152 ( 2924 PWs) bands (ev): -42.0502 -42.0502 -40.3197 -40.3197 -19.2627 -19.2627 -18.7734 -18.7734 -18.5975 -18.5975 -14.1066 -14.1066 -13.9403 -13.9403 -13.8935 -13.8935 -9.2131 -9.2131 -8.3096 -8.3096 3.7524 3.7524 4.9413 4.9413 5.1884 5.1884 6.3241 6.3241 6.7238 6.7238 6.7476 6.7476 11.6601 11.6601 11.9671 11.9671 12.3087 12.3087 12.6908 12.6908 k = 0.1271-0.2025-0.1234 ( 2928 PWs) bands (ev): -42.0500 -42.0500 -40.3184 -40.3184 -19.2632 -19.2632 -18.7779 -18.7779 -18.6029 -18.6029 -14.1071 -14.1071 -13.9414 -13.9414 -13.8951 -13.8951 -9.1945 -9.1945 -8.3170 -8.3170 3.7807 3.7807 4.9207 4.9207 5.1964 5.1964 6.2539 6.2539 6.7124 6.7124 6.7460 6.7460 11.6450 11.6450 11.9948 11.9948 12.3163 12.3163 12.7515 12.7515 k = 0.1356-0.2160-0.1316 ( 2930 PWs) bands (ev): -42.0497 -42.0497 -40.3171 -40.3171 -19.2639 -19.2639 -18.7826 -18.7826 -18.6084 -18.6084 -14.1076 -14.1076 -13.9425 -13.9425 -13.8967 -13.8967 -9.1750 -9.1750 -8.3248 -8.3248 3.8104 3.8104 4.9003 4.9003 5.2047 5.2047 6.1816 6.1816 6.6950 6.6950 6.7488 6.7488 11.6289 11.6289 12.0237 12.0237 12.3248 12.3248 12.8114 12.8114 k = 0.1441-0.2295-0.1398 ( 2928 PWs) bands (ev): -42.0494 -42.0494 -40.3157 -40.3157 -19.2647 -19.2647 -18.7876 -18.7876 -18.6138 -18.6138 -14.1082 -14.1082 -13.9437 -13.9437 -13.8983 -13.8983 -9.1548 -9.1548 -8.3328 -8.3328 3.8413 3.8413 4.8803 4.8803 5.2133 5.2133 6.1075 6.1075 6.6757 6.6757 6.7515 6.7515 11.6121 11.6121 12.0537 12.0537 12.3341 12.3341 12.8694 12.8694 k = 0.1525-0.2430-0.1481 ( 2930 PWs) bands (ev): -42.0492 -42.0492 -40.3143 -40.3143 -19.2658 -19.2658 -18.7929 -18.7929 -18.6193 -18.6193 -14.1088 -14.1088 -13.9450 -13.9450 -13.8999 -13.8999 -9.1338 -9.1338 -8.3409 -8.3409 3.8732 3.8732 4.8608 4.8608 5.2220 5.2220 6.0320 6.0320 6.6556 6.6556 6.7533 6.7533 11.5946 11.5946 12.0847 12.0847 12.3443 12.3443 12.9249 12.9249 k = 0.1610-0.2565-0.1563 ( 2928 PWs) bands (ev): -42.0489 -42.0489 -40.3128 -40.3128 -19.2672 -19.2672 -18.7985 -18.7985 -18.6246 -18.6246 -14.1095 -14.1095 -13.9463 -13.9463 -13.9014 -13.9014 -9.1122 -9.1122 -8.3493 -8.3493 3.9060 3.9060 4.8422 4.8422 5.2309 5.2309 5.9554 5.9554 6.6350 6.6350 6.7536 6.7536 11.5766 11.5766 12.1166 12.1166 12.3553 12.3553 12.9770 12.9770 k = 0.1695-0.2700-0.1645 ( 2924 PWs) bands (ev): -42.0486 -42.0486 -40.3112 -40.3112 -19.2687 -19.2687 -18.8042 -18.8042 -18.6299 -18.6299 -14.1103 -14.1103 -13.9477 -13.9477 -13.9029 -13.9029 -9.0900 -9.0900 -8.3577 -8.3577 3.9395 3.9395 4.8246 4.8246 5.2398 5.2398 5.8781 5.8781 6.6142 6.6142 6.7523 6.7523 11.5579 11.5579 12.1494 12.1494 12.3673 12.3673 13.0252 13.0252 k = 0.1780-0.2835-0.1728 ( 2924 PWs) bands (ev): -42.0483 -42.0483 -40.3096 -40.3096 -19.2706 -19.2706 -18.8101 -18.8101 -18.6350 -18.6350 -14.1112 -14.1112 -13.9491 -13.9491 -13.9044 -13.9044 -9.0675 -9.0675 -8.3662 -8.3662 3.9734 3.9734 4.8084 4.8084 5.2488 5.2488 5.8002 5.8002 6.5932 6.5932 6.7492 6.7492 11.5388 11.5388 12.1827 12.1827 12.3802 12.3802 13.0692 13.0692 k = 0.1864-0.2970-0.1810 ( 2926 PWs) bands (ev): -42.0480 -42.0480 -40.3080 -40.3080 -19.2728 -19.2728 -18.8161 -18.8161 -18.6400 -18.6400 -14.1122 -14.1122 -13.9507 -13.9507 -13.9058 -13.9058 -9.0446 -9.0446 -8.3746 -8.3746 4.0075 4.0075 4.7937 4.7937 5.2577 5.2577 5.7221 5.7221 6.5723 6.5723 6.7442 6.7442 11.5192 11.5192 12.2167 12.2167 12.3939 12.3939 13.1090 13.1090 k = 0.1949-0.3105-0.1892 ( 2924 PWs) bands (ev): -42.0477 -42.0477 -40.3063 -40.3063 -19.2753 -19.2753 -18.8222 -18.8222 -18.6447 -18.6447 -14.1133 -14.1133 -13.9522 -13.9522 -13.9071 -13.9071 -9.0215 -9.0215 -8.3829 -8.3829 4.0414 4.0414 4.7809 4.7809 5.2664 5.2664 5.6440 5.6440 6.5514 6.5514 6.7372 6.7372 11.4992 11.4992 12.2510 12.2510 12.4085 12.4085 13.1449 13.1449 k = 0.2034-0.3240-0.1974 ( 2924 PWs) bands (ev): -42.0474 -42.0474 -40.3046 -40.3046 -19.2781 -19.2781 -18.8284 -18.8284 -18.6493 -18.6493 -14.1144 -14.1144 -13.9538 -13.9538 -13.9084 -13.9084 -8.9982 -8.9982 -8.3911 -8.3911 4.0750 4.0750 4.7701 4.7701 5.2751 5.2751 5.5663 5.5663 6.5308 6.5308 6.7281 6.7281 11.4790 11.4790 12.2858 12.2858 12.4240 12.4240 13.1773 13.1773 k = 0.2119-0.3375-0.2057 ( 2929 PWs) bands (ev): -42.0470 -42.0470 -40.3028 -40.3028 -19.2814 -19.2814 -18.8346 -18.8346 -18.6537 -18.6537 -14.1157 -14.1157 -13.9554 -13.9554 -13.9096 -13.9096 -8.9750 -8.9750 -8.3990 -8.3990 4.1076 4.1076 4.7618 4.7618 5.2835 5.2835 5.4892 5.4892 6.5104 6.5104 6.7169 6.7169 11.4584 11.4584 12.3208 12.3208 12.4403 12.4403 13.2069 13.2069 k = 0.2203-0.3511-0.2139 ( 2926 PWs) bands (ev): -42.0467 -42.0467 -40.3010 -40.3010 -19.2850 -19.2850 -18.8407 -18.8407 -18.6579 -18.6579 -14.1171 -14.1171 -13.9570 -13.9570 -13.9108 -13.9108 -8.9520 -8.9520 -8.4066 -8.4066 4.1391 4.1391 4.7561 4.7561 5.2916 5.2916 5.4131 5.4131 6.4905 6.4905 6.7036 6.7036 11.4377 11.4377 12.3559 12.3559 12.4573 12.4573 13.2344 13.2344 k = 0.2288-0.3646-0.2221 ( 2932 PWs) bands (ev): -42.0464 -42.0464 -40.2993 -40.2993 -19.2890 -19.2890 -18.8467 -18.8467 -18.6618 -18.6618 -14.1186 -14.1186 -13.9587 -13.9587 -13.9118 -13.9118 -8.9292 -8.9292 -8.4137 -8.4137 4.1688 4.1688 4.7535 4.7535 5.2992 5.2992 5.3382 5.3382 6.4712 6.4712 6.6881 6.6881 11.4167 11.4167 12.3911 12.3911 12.4750 12.4750 13.2605 13.2605 k = 0.2373-0.3781-0.2303 ( 2932 PWs) bands (ev): -42.0460 -42.0460 -40.2974 -40.2974 -19.2933 -19.2933 -18.8526 -18.8526 -18.6656 -18.6656 -14.1202 -14.1202 -13.9603 -13.9603 -13.9128 -13.9128 -8.9069 -8.9069 -8.4202 -8.4202 4.1964 4.1964 4.7541 4.7541 5.2644 5.2644 5.3070 5.3070 6.4524 6.4524 6.6705 6.6705 11.3957 11.3957 12.4262 12.4262 12.4934 12.4934 13.2859 13.2859 k = 0.2458-0.3916-0.2386 ( 2931 PWs) bands (ev): -42.0457 -42.0457 -40.2956 -40.2956 -19.2981 -19.2981 -18.8583 -18.8583 -18.6691 -18.6691 -14.1218 -14.1218 -13.9619 -13.9619 -13.9137 -13.9137 -8.8852 -8.8852 -8.4261 -8.4261 4.2213 4.2213 4.7581 4.7581 5.1931 5.1931 5.3138 5.3138 6.4343 6.4343 6.6508 6.6508 11.3746 11.3746 12.4611 12.4611 12.5124 12.5124 13.3111 13.3111 k = 0.2542-0.4051-0.2468 ( 2932 PWs) bands (ev): -42.0454 -42.0454 -40.2938 -40.2938 -19.3032 -19.3032 -18.8638 -18.8638 -18.6724 -18.6724 -14.1236 -14.1236 -13.9635 -13.9635 -13.9145 -13.9145 -8.8644 -8.8644 -8.4312 -8.4312 4.2432 4.2432 4.7654 4.7654 5.1241 5.1241 5.3202 5.3202 6.4169 6.4169 6.6291 6.6291 11.3536 11.3536 12.4957 12.4957 12.5321 12.5321 13.3367 13.3367 k = 0.2627-0.4186-0.2550 ( 2941 PWs) bands (ev): -42.0450 -42.0450 -40.2920 -40.2920 -19.3087 -19.3087 -18.8691 -18.8691 -18.6755 -18.6755 -14.1255 -14.1255 -13.9651 -13.9651 -13.9152 -13.9152 -8.8445 -8.8445 -8.4353 -8.4353 4.2618 4.2618 4.7756 4.7756 5.0585 5.0585 5.3260 5.3260 6.4003 6.4003 6.6055 6.6055 11.3325 11.3325 12.5292 12.5292 12.5526 12.5526 13.3631 13.3631 k = 0.2712-0.4321-0.2632 ( 2943 PWs) bands (ev): -42.0447 -42.0447 -40.2902 -40.2902 -19.3146 -19.3146 -18.8741 -18.8741 -18.6784 -18.6784 -14.1275 -14.1275 -13.9666 -13.9666 -13.9159 -13.9159 -8.8258 -8.8258 -8.4382 -8.4382 4.2768 4.2768 4.7873 4.7873 4.9979 4.9979 5.3313 5.3313 6.3846 6.3846 6.5800 6.5800 11.3116 11.3116 12.5598 12.5598 12.5759 12.5759 13.3906 13.3906 k = 0.2797-0.4456-0.2715 ( 2945 PWs) bands (ev): -42.0444 -42.0444 -40.2884 -40.2884 -19.3207 -19.3207 -18.8788 -18.8788 -18.6811 -18.6811 -14.1295 -14.1295 -13.9681 -13.9681 -13.9165 -13.9165 -8.8086 -8.8086 -8.4399 -8.4399 4.2880 4.2880 4.7968 4.7968 4.9461 4.9461 5.3360 5.3360 6.3698 6.3698 6.5528 6.5528 11.2908 11.2908 12.5845 12.5845 12.6046 12.6046 13.4195 13.4195 k = 0.2881-0.4591-0.2797 ( 2944 PWs) bands (ev): -42.0440 -42.0440 -40.2866 -40.2866 -19.3271 -19.3271 -18.8833 -18.8833 -18.6835 -18.6835 -14.1315 -14.1315 -13.9695 -13.9695 -13.9170 -13.9170 -8.7929 -8.7929 -8.4401 -8.4401 4.2952 4.2952 4.7946 4.7946 4.9129 4.9129 5.3400 5.3400 6.3559 6.3559 6.5239 6.5239 11.2703 11.2703 12.6056 12.6056 12.6365 12.6365 13.4501 13.4501 k = 0.2966-0.4726-0.2879 ( 2949 PWs) bands (ev): -42.0437 -42.0437 -40.2849 -40.2849 -19.3338 -19.3338 -18.8875 -18.8875 -18.6858 -18.6858 -14.1337 -14.1337 -13.9709 -13.9709 -13.9174 -13.9174 -8.7789 -8.7789 -8.4388 -8.4388 4.2982 4.2982 4.7709 4.7709 4.9084 4.9084 5.3434 5.3434 6.3430 6.3430 6.4937 6.4937 11.2500 11.2500 12.6253 12.6253 12.6688 12.6688 13.4823 13.4823 k = 0.3051-0.4861-0.2961 ( 2947 PWs) bands (ev): -42.0434 -42.0434 -40.2832 -40.2832 -19.3407 -19.3407 -18.8913 -18.8913 -18.6879 -18.6879 -14.1359 -14.1359 -13.9722 -13.9722 -13.9178 -13.9178 -8.7669 -8.7669 -8.4359 -8.4359 4.2965 4.2965 4.7350 4.7350 4.9236 4.9236 5.3462 5.3462 6.3310 6.3310 6.4622 6.4622 11.2300 11.2300 12.6445 12.6445 12.7009 12.7009 13.5163 13.5163 k = 0.3136-0.4996-0.3044 ( 2948 PWs) bands (ev): -42.0431 -42.0431 -40.2815 -40.2815 -19.3477 -19.3477 -18.8950 -18.8950 -18.6899 -18.6899 -14.1381 -14.1381 -13.9734 -13.9734 -13.9181 -13.9181 -8.7568 -8.7568 -8.4313 -8.4313 4.2897 4.2897 4.6988 4.6988 4.9469 4.9469 5.3483 5.3483 6.3198 6.3198 6.4297 6.4297 11.2104 11.2104 12.6631 12.6631 12.7324 12.7324 13.5522 13.5522 k = 0.3220-0.5131-0.3126 ( 2945 PWs) bands (ev): -42.0428 -42.0428 -40.2798 -40.2798 -19.3549 -19.3549 -18.8983 -18.8983 -18.6916 -18.6916 -14.1403 -14.1403 -13.9746 -13.9746 -13.9184 -13.9184 -8.7486 -8.7486 -8.4251 -8.4251 4.2772 4.2772 4.6675 4.6675 4.9736 4.9736 5.3499 5.3499 6.3095 6.3095 6.3965 6.3965 11.1913 11.1913 12.6812 12.6812 12.7631 12.7631 13.5897 13.5897 k = 0.3305-0.5266-0.3208 ( 2947 PWs) bands (ev): -42.0425 -42.0425 -40.2782 -40.2782 -19.3621 -19.3621 -18.9014 -18.9014 -18.6932 -18.6932 -14.1425 -14.1425 -13.9757 -13.9757 -13.9186 -13.9186 -8.7422 -8.7422 -8.4175 -8.4175 4.2590 4.2590 4.6430 4.6430 5.0017 5.0017 5.3508 5.3508 6.2998 6.2998 6.3629 6.3629 11.1726 11.1726 12.6986 12.6986 12.7930 12.7930 13.6288 13.6288 k = 0.3390-0.5401-0.3290 ( 2947 PWs) bands (ev): -42.0422 -42.0422 -40.2766 -40.2766 -19.3693 -19.3693 -18.9042 -18.9042 -18.6946 -18.6946 -14.1447 -14.1447 -13.9768 -13.9768 -13.9188 -13.9188 -8.7375 -8.7375 -8.4086 -8.4086 4.2352 4.2352 4.6261 4.6261 5.0301 5.0301 5.3512 5.3512 6.2898 6.2898 6.3301 6.3301 11.1544 11.1544 12.7154 12.7154 12.8221 12.8221 13.6694 13.6694 k = 0.3475-0.5536-0.3373 ( 2951 PWs) bands (ev): -42.0419 -42.0419 -40.2751 -40.2751 -19.3765 -19.3765 -18.9068 -18.9068 -18.6959 -18.6959 -14.1470 -14.1470 -13.9778 -13.9778 -13.9190 -13.9190 -8.7343 -8.7343 -8.3987 -8.3987 4.2069 4.2069 4.6162 4.6162 5.0581 5.0581 5.3511 5.3511 6.2759 6.2759 6.3020 6.3020 11.1368 11.1368 12.7315 12.7315 12.8502 12.8502 13.7111 13.7111 k = 0.3559-0.5671-0.3455 ( 2947 PWs) bands (ev): -42.0416 -42.0416 -40.2736 -40.2736 -19.3836 -19.3836 -18.9091 -18.9091 -18.6971 -18.6971 -14.1491 -14.1491 -13.9787 -13.9787 -13.9191 -13.9191 -8.7323 -8.7323 -8.3880 -8.3880 4.1754 4.1754 4.6125 4.6125 5.0851 5.0851 5.3505 5.3505 6.2502 6.2502 6.2867 6.2867 11.1199 11.1199 12.7470 12.7470 12.8772 12.8772 13.7538 13.7538 k = 0.3644-0.5806-0.3537 ( 2943 PWs) bands (ev): -42.0414 -42.0414 -40.2722 -40.2722 -19.3906 -19.3906 -18.9113 -18.9113 -18.6981 -18.6981 -14.1512 -14.1512 -13.9795 -13.9795 -13.9191 -13.9191 -8.7314 -8.7314 -8.3767 -8.3767 4.1419 4.1419 4.6140 4.6140 5.1106 5.1106 5.3495 5.3495 6.2184 6.2184 6.2787 6.2787 11.1036 11.1036 12.7618 12.7618 12.9032 12.9032 13.7972 13.7972 k = 0.3729-0.5941-0.3620 ( 2943 PWs) bands (ev): -42.0411 -42.0411 -40.2709 -40.2709 -19.3974 -19.3974 -18.9132 -18.9132 -18.6989 -18.6989 -14.1533 -14.1533 -13.9804 -13.9804 -13.9191 -13.9191 -8.7314 -8.7314 -8.3652 -8.3652 4.1076 4.1076 4.6197 4.6197 5.1341 5.1341 5.3482 5.3482 6.1859 6.1859 6.2730 6.2730 11.0881 11.0881 12.7759 12.7759 12.9280 12.9280 13.8409 13.8409 k = 0.3814-0.6076-0.3702 ( 2937 PWs) bands (ev): -42.0409 -42.0409 -40.2696 -40.2696 -19.4040 -19.4040 -18.9150 -18.9150 -18.6997 -18.6997 -14.1553 -14.1553 -13.9811 -13.9811 -13.9191 -13.9191 -8.7320 -8.7320 -8.3536 -8.3536 4.0734 4.0734 4.6288 4.6288 5.1552 5.1552 5.3466 5.3466 6.1540 6.1540 6.2685 6.2685 11.0733 11.0733 12.7892 12.7892 12.9516 12.9516 13.8845 13.8845 k = 0.3898-0.6211-0.3784 ( 2935 PWs) bands (ev): -42.0406 -42.0406 -40.2684 -40.2684 -19.4103 -19.4103 -18.9166 -18.9166 -18.7004 -18.7004 -14.1572 -14.1572 -13.9818 -13.9818 -13.9191 -13.9191 -8.7331 -8.7331 -8.3421 -8.3421 4.0400 4.0400 4.6407 4.6407 5.1735 5.1735 5.3448 5.3448 6.1234 6.1234 6.2648 6.2648 11.0594 11.0594 12.8018 12.8018 12.9738 12.9738 13.9277 13.9277 k = 0.3983-0.6346-0.3866 ( 2935 PWs) bands (ev): -42.0404 -42.0404 -40.2673 -40.2673 -19.4163 -19.4163 -18.9180 -18.9180 -18.7010 -18.7010 -14.1590 -14.1590 -13.9824 -13.9824 -13.9191 -13.9191 -8.7345 -8.7345 -8.3310 -8.3310 4.0080 4.0080 4.6548 4.6548 5.1888 5.1888 5.3428 5.3428 6.0946 6.0946 6.2617 6.2617 11.0463 11.0463 12.8136 12.8136 12.9947 12.9947 13.9700 13.9700 k = 0.4068-0.6481-0.3949 ( 2942 PWs) bands (ev): -42.0402 -42.0402 -40.2662 -40.2662 -19.4220 -19.4220 -18.9193 -18.9193 -18.7015 -18.7015 -14.1608 -14.1608 -13.9830 -13.9830 -13.9190 -13.9190 -8.7362 -8.7362 -8.3203 -8.3203 3.9776 3.9776 4.6707 4.6707 5.2007 5.2007 5.3407 5.3407 6.0679 6.0679 6.2592 6.2592 11.0340 11.0340 12.8244 12.8244 13.0141 13.0141 14.0112 14.0112 k = 0.4153-0.6616-0.4031 ( 2940 PWs) bands (ev): -42.0401 -42.0401 -40.2653 -40.2653 -19.4273 -19.4273 -18.9205 -18.9205 -18.7019 -18.7019 -14.1624 -14.1624 -13.9836 -13.9836 -13.9190 -13.9190 -8.7379 -8.7379 -8.3102 -8.3102 3.9492 3.9492 4.6882 4.6882 5.2091 5.2091 5.3385 5.3385 6.0436 6.0436 6.2571 6.2571 11.0227 11.0227 12.8346 12.8346 13.0321 13.0321 14.0506 14.0506 k = 0.4237-0.6751-0.4113 ( 2941 PWs) bands (ev): -42.0399 -42.0399 -40.2644 -40.2644 -19.4322 -19.4322 -18.9215 -18.9215 -18.7022 -18.7022 -14.1639 -14.1639 -13.9841 -13.9841 -13.9189 -13.9189 -8.7397 -8.7397 -8.3007 -8.3007 3.9232 3.9232 4.7068 4.7068 5.2139 5.2139 5.3364 5.3364 6.0220 6.0220 6.2554 6.2554 11.0123 11.0123 12.8439 12.8439 13.0485 13.0485 14.0879 14.0879 k = 0.4322-0.6886-0.4195 ( 2943 PWs) bands (ev): -42.0397 -42.0397 -40.2636 -40.2636 -19.4367 -19.4367 -18.9224 -18.9224 -18.7025 -18.7025 -14.1653 -14.1653 -13.9845 -13.9845 -13.9189 -13.9189 -8.7415 -8.7415 -8.2921 -8.2921 3.8994 3.8994 4.7262 4.7262 5.2153 5.2153 5.3343 5.3343 6.0032 6.0032 6.2541 6.2541 11.0030 11.0030 12.8523 12.8523 13.0634 13.0634 14.1228 14.1228 k = 0.4407-0.7021-0.4278 ( 2945 PWs) bands (ev): -42.0396 -42.0396 -40.2629 -40.2629 -19.4406 -19.4406 -18.9232 -18.9232 -18.7027 -18.7027 -14.1665 -14.1665 -13.9849 -13.9849 -13.9189 -13.9189 -8.7432 -8.7432 -8.2843 -8.2843 3.8782 3.8782 4.7458 4.7458 5.2135 5.2135 5.3324 5.3324 5.9873 5.9873 6.2531 6.2531 10.9946 10.9946 12.8599 12.8599 13.0766 13.0766 14.1547 14.1547 k = 0.4492-0.7156-0.4360 ( 2950 PWs) bands (ev): -42.0395 -42.0395 -40.2623 -40.2623 -19.4442 -19.4442 -18.9239 -18.9239 -18.7029 -18.7029 -14.1676 -14.1676 -13.9853 -13.9853 -13.9188 -13.9188 -8.7447 -8.7447 -8.2774 -8.2774 3.8597 3.8597 4.7652 4.7652 5.2091 5.2091 5.3306 5.3306 5.9741 5.9741 6.2523 6.2523 10.9873 10.9873 12.8665 12.8665 13.0881 13.0881 14.1832 14.1832 k = 0.4576-0.7291-0.4442 ( 2946 PWs) bands (ev): -42.0394 -42.0394 -40.2617 -40.2617 -19.4471 -19.4471 -18.9244 -18.9244 -18.7031 -18.7031 -14.1685 -14.1685 -13.9855 -13.9855 -13.9187 -13.9187 -8.7461 -8.7461 -8.2715 -8.2715 3.8439 3.8439 4.7839 4.7839 5.2026 5.2026 5.3290 5.3290 5.9635 5.9635 6.2517 6.2517 10.9812 10.9812 12.8722 12.8722 13.0979 13.0979 14.2081 14.2081 k = 0.4661-0.7426-0.4524 ( 2941 PWs) bands (ev): -42.0393 -42.0393 -40.2613 -40.2613 -19.4496 -19.4496 -18.9249 -18.9249 -18.7032 -18.7032 -14.1692 -14.1692 -13.9857 -13.9857 -13.9187 -13.9187 -8.7472 -8.7472 -8.2666 -8.2666 3.8309 3.8309 4.8010 4.8010 5.1951 5.1951 5.3277 5.3277 5.9553 5.9553 6.2512 6.2512 10.9761 10.9761 12.8768 12.8768 13.1061 13.1061 14.2290 14.2290 k = 0.4746-0.7561-0.4607 ( 2938 PWs) bands (ev): -42.0393 -42.0393 -40.2609 -40.2609 -19.4515 -19.4515 -18.9252 -18.9252 -18.7033 -18.7033 -14.1698 -14.1698 -13.9859 -13.9859 -13.9186 -13.9186 -8.7481 -8.7481 -8.2628 -8.2628 3.8208 3.8208 4.8158 4.8158 5.1875 5.1875 5.3266 5.3266 5.9493 5.9493 6.2509 6.2509 10.9721 10.9721 12.8805 12.8805 13.1124 13.1124 14.2455 14.2455 k = 0.4831-0.7696-0.4689 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4529 -19.4529 -18.9255 -18.9255 -18.7033 -18.7033 -14.1702 -14.1702 -13.9860 -13.9860 -13.9186 -13.9186 -8.7488 -8.7488 -8.2600 -8.2600 3.8135 3.8135 4.8273 4.8273 5.1810 5.1810 5.3259 5.3259 5.9451 5.9451 6.2507 6.2507 10.9693 10.9693 12.8832 12.8832 13.1170 13.1170 14.2575 14.2575 k = 0.4915-0.7831-0.4771 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4538 -19.4538 -18.9256 -18.9256 -18.7034 -18.7034 -14.1704 -14.1704 -13.9861 -13.9861 -13.9186 -13.9186 -8.7492 -8.7492 -8.2583 -8.2583 3.8091 3.8091 4.8347 4.8347 5.1765 5.1765 5.3254 5.3254 5.9428 5.9428 6.2506 6.2506 10.9676 10.9676 12.8847 12.8847 13.1197 13.1197 14.2648 14.2648 k = 0.5000-0.7966-0.4853 ( 2934 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7493 -8.7493 -8.2578 -8.2578 3.8076 3.8076 4.8372 4.8372 5.1749 5.1749 5.3253 5.3253 5.9420 5.9420 6.2505 6.2505 10.9670 10.9670 12.8853 12.8853 13.1206 13.1206 14.2672 14.2672 k = 0.5000-0.7966-0.4853 ( 2934 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7493 -8.7493 -8.2578 -8.2578 3.8076 3.8076 4.8372 4.8372 5.1749 5.1749 5.3253 5.3253 5.9420 5.9420 6.2505 6.2505 10.9670 10.9670 12.8853 12.8853 13.1206 13.1206 14.2672 14.2672 k = 0.5000-0.7872-0.5008 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4539 -19.4539 -18.9257 -18.9257 -18.7036 -18.7036 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7489 -8.7489 -8.2580 -8.2580 3.8087 3.8087 4.8355 4.8355 5.1753 5.1753 5.3268 5.3268 5.9419 5.9419 6.2482 6.2482 10.9690 10.9690 12.8843 12.8843 13.1195 13.1195 14.2678 14.2678 k = 0.5000-0.7777-0.5163 ( 2938 PWs) bands (ev): -42.0392 -42.0392 -40.2604 -40.2604 -19.4536 -19.4536 -18.9257 -18.9257 -18.7044 -18.7044 -14.1704 -14.1704 -13.9861 -13.9861 -13.9188 -13.9188 -8.7477 -8.7477 -8.2588 -8.2588 3.8120 3.8120 4.8303 4.8303 5.1765 5.1765 5.3314 5.3314 5.9416 5.9416 6.2411 6.2411 10.9752 10.9752 12.8814 12.8814 13.1163 13.1163 14.2694 14.2694 k = 0.5000-0.7683-0.5318 ( 2944 PWs) bands (ev): -42.0392 -42.0392 -40.2604 -40.2604 -19.4530 -19.4530 -18.9258 -18.9258 -18.7058 -18.7058 -14.1702 -14.1702 -13.9862 -13.9862 -13.9191 -13.9191 -8.7457 -8.7457 -8.2601 -8.2601 3.8174 3.8174 4.8218 4.8218 5.1783 5.1783 5.3388 5.3388 5.9411 5.9411 6.2294 6.2294 10.9854 10.9854 12.8766 12.8766 13.1108 13.1108 14.2722 14.2722 k = 0.5000-0.7589-0.5473 ( 2942 PWs) bands (ev): -42.0391 -42.0391 -40.2602 -40.2602 -19.4522 -19.4522 -18.9259 -18.9259 -18.7076 -18.7076 -14.1700 -14.1700 -13.9863 -13.9863 -13.9195 -13.9195 -8.7428 -8.7428 -8.2618 -8.2618 3.8250 3.8250 4.8106 4.8106 5.1810 5.1810 5.3486 5.3486 5.9403 5.9403 6.2132 6.2132 10.9995 10.9995 12.8700 12.8700 13.1033 13.1033 14.2760 14.2760 k = 0.5000-0.7494-0.5628 ( 2938 PWs) bands (ev): -42.0391 -42.0391 -40.2601 -40.2601 -19.4511 -19.4511 -18.9261 -18.9261 -18.7099 -18.7099 -14.1696 -14.1696 -13.9863 -13.9863 -13.9199 -13.9199 -8.7392 -8.7392 -8.2641 -8.2641 3.8347 3.8347 4.7969 4.7969 5.1843 5.1843 5.3607 5.3607 5.9392 5.9392 6.1927 6.1927 11.0175 11.0175 12.8615 12.8615 13.0939 13.0939 14.2808 14.2809 k = 0.5000-0.7400-0.5783 ( 2940 PWs) bands (ev): -42.0391 -42.0391 -40.2599 -40.2599 -19.4499 -19.4499 -18.9263 -18.9263 -18.7126 -18.7126 -14.1693 -14.1693 -13.9865 -13.9865 -13.9205 -13.9205 -8.7348 -8.7348 -8.2669 -8.2669 3.8465 3.8465 4.7813 4.7813 5.1882 5.1882 5.3744 5.3744 5.9378 5.9378 6.1682 6.1682 11.0391 11.0391 12.8511 12.8511 13.0824 13.0824 14.2867 14.2867 k = 0.5000-0.7306-0.5938 ( 2940 PWs) bands (ev): -42.0390 -42.0390 -40.2597 -40.2597 -19.4484 -19.4484 -18.9265 -18.9265 -18.7158 -18.7158 -14.1688 -14.1688 -13.9866 -13.9866 -13.9212 -13.9212 -8.7296 -8.7296 -8.2701 -8.2701 3.8604 3.8604 4.7640 4.7640 5.1928 5.1928 5.3895 5.3895 5.9359 5.9359 6.1398 6.1398 11.0642 11.0642 12.8390 12.8390 13.0692 13.0692 14.2934 14.2934 k = 0.5000-0.7211-0.6092 ( 2948 PWs) bands (ev): -42.0390 -42.0390 -40.2595 -40.2595 -19.4468 -19.4468 -18.9268 -18.9268 -18.7194 -18.7194 -14.1684 -14.1684 -13.9868 -13.9868 -13.9219 -13.9219 -8.7238 -8.7238 -8.2738 -8.2738 3.8762 3.8762 4.7456 4.7456 5.1977 5.1977 5.4056 5.4056 5.9335 5.9335 6.1080 6.1080 11.0926 11.0926 12.8251 12.8251 13.0542 13.0542 14.3009 14.3009 k = 0.5000-0.7117-0.6247 ( 2954 PWs) bands (ev): -42.0390 -42.0390 -40.2592 -40.2592 -19.4449 -19.4449 -18.9273 -18.9273 -18.7234 -18.7234 -14.1678 -14.1678 -13.9871 -13.9871 -13.9228 -13.9228 -8.7172 -8.7172 -8.2780 -8.2780 3.8940 3.8940 4.7263 4.7263 5.2031 5.2031 5.4225 5.4225 5.9305 5.9305 6.0731 6.0731 11.1240 11.1240 12.8095 12.8095 13.0378 13.0378 14.3091 14.3091 k = 0.5000-0.7023-0.6402 ( 2952 PWs) bands (ev): -42.0389 -42.0389 -40.2589 -40.2589 -19.4429 -19.4429 -18.9277 -18.9277 -18.7276 -18.7276 -14.1672 -14.1672 -13.9873 -13.9873 -13.9236 -13.9236 -8.7100 -8.7100 -8.2826 -8.2826 3.9138 3.9138 4.7065 4.7065 5.2088 5.2088 5.4400 5.4400 5.9267 5.9267 6.0357 6.0357 11.1584 11.1584 12.7922 12.7922 13.0199 13.0199 14.3180 14.3180 k = 0.5000-0.6928-0.6557 ( 2950 PWs) bands (ev): -42.0388 -42.0388 -40.2586 -40.2586 -19.4408 -19.4408 -18.9283 -18.9283 -18.7321 -18.7321 -14.1665 -14.1665 -13.9876 -13.9876 -13.9245 -13.9245 -8.7021 -8.7021 -8.2876 -8.2876 3.9355 3.9355 4.6864 4.6864 5.2145 5.2145 5.4579 5.4579 5.9217 5.9217 5.9963 5.9963 11.1953 11.1953 12.7734 12.7734 13.0007 13.0007 14.3275 14.3275 k = 0.5000-0.6834-0.6712 ( 2952 PWs) bands (ev): -42.0388 -42.0388 -40.2583 -40.2583 -19.4385 -19.4385 -18.9290 -18.9290 -18.7368 -18.7368 -14.1658 -14.1658 -13.9879 -13.9879 -13.9254 -13.9254 -8.6936 -8.6936 -8.2931 -8.2931 3.9590 3.9590 4.6663 4.6663 5.2201 5.2201 5.4760 5.4760 5.9142 5.9142 5.9569 5.9569 11.2347 11.2347 12.7531 12.7531 12.9803 12.9803 14.3374 14.3374 k = 0.5000-0.6740-0.6867 ( 2942 PWs) bands (ev): -42.0387 -42.0387 -40.2579 -40.2579 -19.4361 -19.4361 -18.9298 -18.9298 -18.7416 -18.7416 -14.1651 -14.1651 -13.9882 -13.9882 -13.9263 -13.9263 -8.6846 -8.6846 -8.2989 -8.2989 3.9842 3.9842 4.6464 4.6464 5.2253 5.2253 5.4942 5.4942 5.8964 5.8964 5.9257 5.9257 11.2762 11.2762 12.7315 12.7315 12.9590 12.9590 14.3476 14.3476 k = 0.5000-0.6645-0.7022 ( 2940 PWs) bands (ev): -42.0386 -42.0386 -40.2575 -40.2575 -19.4336 -19.4336 -18.9308 -18.9308 -18.7465 -18.7465 -14.1643 -14.1643 -13.9886 -13.9886 -13.9272 -13.9272 -8.6751 -8.6751 -8.3052 -8.3052 4.0110 4.0110 4.6267 4.6267 5.2297 5.2297 5.5125 5.5125 5.8596 5.8596 5.9118 5.9118 11.3196 11.3196 12.7085 12.7085 12.9367 12.9367 14.3581 14.3581 k = 0.5000-0.6551-0.7177 ( 2932 PWs) bands (ev): -42.0385 -42.0385 -40.2572 -40.2572 -19.4310 -19.4310 -18.9319 -18.9319 -18.7514 -18.7514 -14.1635 -14.1635 -13.9891 -13.9891 -13.9281 -13.9281 -8.6651 -8.6651 -8.3118 -8.3118 4.0395 4.0395 4.6076 4.6076 5.2329 5.2329 5.5306 5.5306 5.8174 5.8174 5.9026 5.9026 11.3647 11.3647 12.6842 12.6842 12.9137 12.9137 14.3686 14.3686 k = 0.5000-0.6456-0.7331 ( 2934 PWs) bands (ev): -42.0385 -42.0385 -40.2568 -40.2568 -19.4284 -19.4284 -18.9332 -18.9332 -18.7563 -18.7563 -14.1627 -14.1627 -13.9896 -13.9896 -13.9290 -13.9290 -8.6547 -8.6547 -8.3187 -8.3187 4.0694 4.0694 4.5889 4.5889 5.2342 5.2342 5.5487 5.5487 5.7750 5.7750 5.8934 5.8934 11.4113 11.4113 12.6589 12.6589 12.8899 12.8899 14.3791 14.3791 k = 0.5000-0.6362-0.7486 ( 2932 PWs) bands (ev): -42.0384 -42.0384 -40.2564 -40.2564 -19.4257 -19.4257 -18.9347 -18.9347 -18.7611 -18.7611 -14.1619 -14.1619 -13.9901 -13.9901 -13.9298 -13.9298 -8.6439 -8.6439 -8.3260 -8.3260 4.1008 4.1008 4.5711 4.5711 5.2328 5.2328 5.5665 5.5665 5.7343 5.7343 5.8837 5.8837 11.4591 11.4591 12.6325 12.6325 12.8655 12.8655 14.3895 14.3895 k = 0.5000-0.6268-0.7641 ( 2932 PWs) bands (ev): -42.0383 -42.0383 -40.2560 -40.2560 -19.4231 -19.4231 -18.9363 -18.9363 -18.7657 -18.7657 -14.1611 -14.1611 -13.9908 -13.9908 -13.9306 -13.9306 -8.6329 -8.6329 -8.3335 -8.3335 4.1334 4.1334 4.5540 4.5540 5.2279 5.2279 5.5840 5.5840 5.6965 5.6965 5.8733 5.8733 11.5079 11.5079 12.6054 12.6054 12.8405 12.8405 14.3987 14.3987 k = 0.5000-0.6173-0.7796 ( 2942 PWs) bands (ev): -42.0383 -42.0383 -40.2556 -40.2556 -19.4205 -19.4205 -18.9381 -18.9381 -18.7701 -18.7701 -14.1604 -14.1604 -13.9915 -13.9915 -13.9315 -13.9315 -8.6216 -8.6216 -8.3413 -8.3413 4.1672 4.1672 4.5378 4.5378 5.2182 5.2182 5.6010 5.6010 5.6631 5.6631 5.8622 5.8622 11.5575 11.5575 12.5775 12.5775 12.8150 12.8150 14.3934 14.3934 k = 0.5000-0.6079-0.7951 ( 2952 PWs) bands (ev): -42.0382 -42.0382 -40.2552 -40.2552 -19.4180 -19.4180 -18.9400 -18.9400 -18.7743 -18.7743 -14.1597 -14.1597 -13.9922 -13.9922 -13.9322 -13.9322 -8.6100 -8.6100 -8.3494 -8.3494 4.2021 4.2021 4.5225 4.5225 5.2030 5.2030 5.6173 5.6173 5.6352 5.6352 5.8507 5.8507 11.6075 11.6075 12.5491 12.5491 12.7890 12.7890 14.3849 14.3849 k = 0.5000-0.5985-0.8106 ( 2948 PWs) bands (ev): -42.0381 -42.0381 -40.2548 -40.2548 -19.4155 -19.4155 -18.9421 -18.9421 -18.7781 -18.7781 -14.1590 -14.1590 -13.9929 -13.9929 -13.9328 -13.9328 -8.5984 -8.5984 -8.3577 -8.3577 4.2381 4.2381 4.5082 4.5082 5.1816 5.1816 5.6137 5.6137 5.6327 5.6327 5.8390 5.8390 11.6579 11.6579 12.5205 12.5205 12.7627 12.7627 14.3779 14.3779 k = 0.5000-0.5890-0.8261 ( 2940 PWs) bands (ev): -42.0381 -42.0381 -40.2544 -40.2544 -19.4132 -19.4132 -18.9442 -18.9442 -18.7817 -18.7817 -14.1582 -14.1582 -13.9935 -13.9935 -13.9334 -13.9334 -8.5866 -8.5866 -8.3662 -8.3662 4.2749 4.2749 4.4950 4.4950 5.1540 5.1540 5.5987 5.5987 5.6465 5.6465 5.8278 5.8278 11.7083 11.7083 12.4920 12.4920 12.7361 12.7361 14.3725 14.3725 k = 0.5000-0.5796-0.8416 ( 2942 PWs) bands (ev): -42.0380 -42.0380 -40.2541 -40.2541 -19.4110 -19.4110 -18.9465 -18.9465 -18.7849 -18.7849 -14.1576 -14.1576 -13.9943 -13.9943 -13.9339 -13.9339 -8.5748 -8.5748 -8.3748 -8.3748 4.3124 4.3124 4.4829 4.4829 5.1209 5.1209 5.5897 5.5897 5.6578 5.6578 5.8179 5.8179 11.7581 11.7581 12.4638 12.4638 12.7090 12.7090 14.3688 14.3688 k = 0.5000-0.5702-0.8570 ( 2938 PWs) bands (ev): -42.0379 -42.0379 -40.2537 -40.2537 -19.4089 -19.4089 -18.9487 -18.9487 -18.7877 -18.7877 -14.1569 -14.1569 -13.9949 -13.9949 -13.9343 -13.9343 -8.5631 -8.5631 -8.3836 -8.3836 4.3505 4.3505 4.4719 4.4719 5.0833 5.0833 5.5859 5.5859 5.6654 5.6654 5.8109 5.8109 11.8071 11.8071 12.4365 12.4365 12.6816 12.6816 14.3667 14.3667 k = 0.5000-0.5607-0.8725 ( 2944 PWs) bands (ev): -42.0379 -42.0379 -40.2534 -40.2534 -19.4071 -19.4071 -18.9509 -18.9509 -18.7902 -18.7902 -14.1564 -14.1564 -13.9956 -13.9956 -13.9347 -13.9347 -8.5514 -8.5514 -8.3924 -8.3924 4.3890 4.3890 4.4619 4.4619 5.0425 5.0425 5.5863 5.5863 5.6677 5.6677 5.8082 5.8082 11.8544 11.8544 12.4107 12.4107 12.6537 12.6537 14.3660 14.3660 k = 0.5000-0.5513-0.8880 ( 2946 PWs) bands (ev): -42.0378 -42.0378 -40.2531 -40.2531 -19.4054 -19.4054 -18.9531 -18.9531 -18.7924 -18.7924 -14.1559 -14.1559 -13.9963 -13.9963 -13.9350 -13.9350 -8.5399 -8.5399 -8.4014 -8.4014 4.4276 4.4276 4.4531 4.4531 4.9996 4.9996 5.5898 5.5898 5.6639 5.6639 5.8111 5.8111 11.8991 11.8991 12.3874 12.3874 12.6255 12.6255 14.3667 14.3667 k = 0.5000-0.5418-0.9035 ( 2954 PWs) bands (ev): -42.0378 -42.0378 -40.2528 -40.2528 -19.4040 -19.4040 -18.9551 -18.9551 -18.7942 -18.7942 -14.1555 -14.1555 -13.9969 -13.9969 -13.9353 -13.9353 -8.5286 -8.5286 -8.4104 -8.4104 4.4450 4.4450 4.4665 4.4665 4.9558 4.9558 5.5956 5.5956 5.6542 5.6542 5.8191 5.8191 11.9399 11.9399 12.3678 12.3678 12.5970 12.5970 14.3687 14.3687 k = 0.5000-0.5324-0.9190 ( 2952 PWs) bands (ev): -42.0377 -42.0377 -40.2526 -40.2526 -19.4028 -19.4028 -18.9569 -18.9569 -18.7957 -18.7957 -14.1551 -14.1551 -13.9974 -13.9974 -13.9354 -13.9354 -8.5176 -8.5176 -8.4193 -8.4193 4.4383 4.4383 4.5046 4.5046 4.9120 4.9120 5.6031 5.6031 5.6401 5.6401 5.8311 5.8311 11.9748 11.9748 12.3542 12.3542 12.5682 12.5682 14.3719 14.3719 k = 0.5000-0.5230-0.9345 ( 2946 PWs) bands (ev): -42.0377 -42.0377 -40.2524 -40.2524 -19.4018 -19.4018 -18.9585 -18.9585 -18.7969 -18.7969 -14.1548 -14.1548 -13.9978 -13.9978 -13.9355 -13.9355 -8.5070 -8.5070 -8.4283 -8.4283 4.4325 4.4325 4.5417 4.5417 4.8695 4.8695 5.6113 5.6113 5.6234 5.6234 5.8460 5.8460 12.0014 12.0014 12.3487 12.3487 12.5391 12.5391 14.3760 14.3760 k = 0.5000-0.5135-0.9500 ( 2948 PWs) bands (ev): -42.0377 -42.0377 -40.2522 -40.2522 -19.4011 -19.4011 -18.9598 -18.9598 -18.7978 -18.7978 -14.1545 -14.1545 -13.9981 -13.9981 -13.9356 -13.9356 -8.4968 -8.4968 -8.4371 -8.4371 4.4276 4.4276 4.5762 4.5762 4.8299 4.8299 5.6027 5.6027 5.6221 5.6221 5.8628 5.8628 12.0174 12.0174 12.3537 12.3537 12.5097 12.5097 14.3808 14.3808 k = 0.5000-0.5041-0.9655 ( 2950 PWs) bands (ev): -42.0376 -42.0376 -40.2521 -40.2521 -19.4006 -19.4006 -18.9608 -18.9608 -18.7984 -18.7984 -14.1543 -14.1543 -13.9984 -13.9984 -13.9356 -13.9356 -8.4871 -8.4871 -8.4457 -8.4457 4.4235 4.4235 4.6054 4.6054 4.7965 4.7965 5.5824 5.5824 5.6317 5.6317 5.8810 5.8810 12.0220 12.0220 12.3697 12.3697 12.4801 12.4801 14.3861 14.3861 k = 0.5000-0.4947-0.9809 ( 2950 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4003 -19.4003 -18.9614 -18.9614 -18.7988 -18.7988 -14.1542 -14.1542 -13.9985 -13.9985 -13.9356 -13.9356 -8.4783 -8.4783 -8.4539 -8.4539 4.4202 4.4202 4.6226 4.6226 4.7761 4.7761 5.5611 5.5611 5.6417 5.6417 5.9003 5.9003 12.0168 12.0168 12.3950 12.3950 12.4507 12.4507 14.3915 14.3915 k = 0.5000-0.4852-0.9964 ( 2958 PWs) bands (ev): -42.0376 -42.0376 -40.2519 -40.2519 -19.4002 -19.4002 -18.9617 -18.9617 -18.7990 -18.7990 -14.1541 -14.1541 -13.9986 -13.9986 -13.9356 -13.9356 -8.4722 -8.4722 -8.4598 -8.4598 4.4175 4.4175 4.6196 4.6196 4.7769 4.7769 5.5395 5.5395 5.6516 5.6516 5.9202 5.9202 12.0042 12.0042 12.4132 12.4132 12.4353 12.4353 14.3968 14.3968 k = 0.5000-0.4758-1.0119 ( 2952 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4002 -19.4002 -18.9616 -18.9616 -18.7990 -18.7990 -14.1540 -14.1540 -13.9985 -13.9985 -13.9356 -13.9356 -8.4749 -8.4749 -8.4574 -8.4574 4.4153 4.4153 4.5989 4.5989 4.7969 4.7969 5.5181 5.5181 5.6613 5.6613 5.9409 5.9409 11.9867 11.9867 12.3869 12.3869 12.4691 12.4691 14.4018 14.4018 k = 0.5000-0.4664-1.0274 ( 2948 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4004 -19.4004 -18.9612 -18.9612 -18.7987 -18.7987 -14.1540 -14.1540 -13.9983 -13.9983 -13.9354 -13.9354 -8.4821 -8.4821 -8.4508 -8.4508 4.4135 4.4135 4.5700 4.5700 4.8263 4.8263 5.4971 5.4971 5.6706 5.6706 5.9621 5.9621 11.9664 11.9664 12.3565 12.3565 12.5093 12.5093 14.4060 14.4060 k = 0.5000-0.4569-1.0429 ( 2948 PWs) bands (ev): -42.0376 -42.0376 -40.2521 -40.2521 -19.4007 -19.4007 -18.9603 -18.9603 -18.7983 -18.7983 -14.1540 -14.1540 -13.9980 -13.9980 -13.9353 -13.9353 -8.4898 -8.4898 -8.4442 -8.4442 4.4118 4.4118 4.5386 4.5386 4.8597 4.8597 5.4769 5.4769 5.6793 5.6793 5.9837 5.9837 11.9444 11.9444 12.3257 12.3257 12.5512 12.5512 14.4091 14.4091 k = 0.5000-0.4475-1.0584 ( 2948 PWs) bands (ev): -42.0377 -42.0377 -40.2523 -40.2523 -19.4011 -19.4011 -18.9591 -18.9591 -18.7977 -18.7977 -14.1540 -14.1540 -13.9976 -13.9976 -13.9352 -13.9352 -8.4975 -8.4975 -8.4382 -8.4382 4.4102 4.4102 4.5073 4.5073 4.8944 4.8944 5.4578 5.4578 5.6873 5.6873 6.0057 6.0057 11.9217 11.9217 12.2946 12.2946 12.5937 12.5937 14.4108 14.4108 k = 0.8144-0.3570-0.8830 ( 2948 PWs) bands (ev): -42.0377 -42.0377 -40.2523 -40.2523 -19.4011 -19.4011 -18.9591 -18.9591 -18.7977 -18.7977 -14.1540 -14.1540 -13.9976 -13.9976 -13.9352 -13.9352 -8.4975 -8.4975 -8.4382 -8.4382 4.4102 4.4102 4.5073 4.5073 4.8944 4.8944 5.4578 5.4578 5.6873 5.6873 6.0057 6.0057 11.9217 11.9217 12.2946 12.2946 12.5937 12.5937 14.4108 14.4108 k = 0.8094-0.3490-0.8676 ( 2952 PWs) bands (ev): -42.0377 -42.0377 -40.2526 -40.2526 -19.4015 -19.4015 -18.9576 -18.9576 -18.7970 -18.7970 -14.1540 -14.1540 -13.9971 -13.9971 -13.9351 -13.9351 -8.5050 -8.5050 -8.4329 -8.4329 4.4084 4.4084 4.4773 4.4773 4.9292 4.9292 5.4403 5.4403 5.6945 5.6945 6.0280 6.0280 11.8989 11.8989 12.2635 12.2635 12.6359 12.6359 14.4106 14.4106 k = 0.8044-0.3411-0.8522 ( 2950 PWs) bands (ev): -42.0378 -42.0378 -40.2529 -40.2529 -19.4019 -19.4019 -18.9558 -18.9558 -18.7961 -18.7961 -14.1540 -14.1540 -13.9964 -13.9964 -13.9350 -13.9350 -8.5122 -8.5122 -8.4283 -8.4283 4.4063 4.4063 4.4491 4.4491 4.9637 4.9637 5.4245 5.4245 5.7009 5.7009 6.0505 6.0505 11.8764 11.8764 12.2325 12.2325 12.6773 12.6773 14.4084 14.4084 k = 0.7994-0.3331-0.8368 ( 2946 PWs) bands (ev): -42.0378 -42.0378 -40.2532 -40.2532 -19.4022 -19.4022 -18.9537 -18.9537 -18.7950 -18.7950 -14.1540 -14.1540 -13.9957 -13.9957 -13.9348 -13.9348 -8.5192 -8.5192 -8.4246 -8.4246 4.4036 4.4036 4.4232 4.4232 4.9975 4.9975 5.4108 5.4108 5.7064 5.7064 6.0734 6.0734 11.8546 11.8546 12.2014 12.2014 12.7178 12.7178 14.4039 14.4039 k = 0.7944-0.3252-0.8214 ( 2952 PWs) bands (ev): -42.0379 -42.0379 -40.2537 -40.2537 -19.4025 -19.4025 -18.9513 -18.9513 -18.7938 -18.7938 -14.1540 -14.1540 -13.9949 -13.9949 -13.9347 -13.9347 -8.5258 -8.5258 -8.4218 -8.4218 4.3970 4.3970 4.4026 4.4026 5.0305 5.0305 5.3994 5.3994 5.7109 5.7109 6.0964 6.0964 11.8336 11.8336 12.1704 12.1704 12.7568 12.7568 14.3965 14.3965 k = 0.7894-0.3172-0.8060 ( 2946 PWs) bands (ev): -42.0380 -42.0380 -40.2542 -40.2542 -19.4026 -19.4026 -18.9487 -18.9487 -18.7925 -18.7925 -14.1539 -14.1539 -13.9940 -13.9940 -13.9345 -13.9345 -8.5321 -8.5321 -8.4198 -8.4198 4.3772 4.3772 4.3970 4.3970 5.0623 5.0623 5.3905 5.3905 5.7145 5.7145 6.1196 6.1196 11.8136 11.8136 12.1396 12.1396 12.7943 12.7943 14.3863 14.3863 k = 0.7845-0.3093-0.7906 ( 2946 PWs) bands (ev): -42.0381 -42.0381 -40.2547 -40.2547 -19.4025 -19.4025 -18.9460 -18.9460 -18.7910 -18.7910 -14.1537 -14.1537 -13.9931 -13.9931 -13.9344 -13.9344 -8.5381 -8.5381 -8.4188 -8.4188 4.3585 4.3585 4.3919 4.3919 5.0929 5.0929 5.3844 5.3844 5.7171 5.7171 6.1429 6.1429 11.7946 11.7946 12.1090 12.1090 12.8300 12.8300 14.3728 14.3728 k = 0.7795-0.3013-0.7752 ( 2948 PWs) bands (ev): -42.0382 -42.0382 -40.2554 -40.2554 -19.4022 -19.4022 -18.9430 -18.9430 -18.7893 -18.7893 -14.1535 -14.1535 -13.9920 -13.9920 -13.9343 -13.9343 -8.5436 -8.5436 -8.4187 -8.4187 4.3424 4.3424 4.3859 4.3859 5.1220 5.1220 5.3811 5.3811 5.7187 5.7187 6.1663 6.1663 11.7769 11.7769 12.0786 12.0786 12.8636 12.8636 14.3560 14.3560 k = 0.7745-0.2934-0.7597 ( 2950 PWs) bands (ev): -42.0384 -42.0384 -40.2561 -40.2561 -19.4016 -19.4016 -18.9400 -18.9400 -18.7875 -18.7875 -14.1533 -14.1533 -13.9910 -13.9910 -13.9341 -13.9341 -8.5488 -8.5488 -8.4196 -8.4196 4.3290 4.3290 4.3789 4.3789 5.1496 5.1496 5.3810 5.3810 5.7194 5.7194 6.1897 6.1897 11.7606 11.7606 12.0486 12.0486 12.8950 12.8950 14.3357 14.3357 k = 0.7695-0.2854-0.7443 ( 2954 PWs) bands (ev): -42.0385 -42.0385 -40.2569 -40.2569 -19.4008 -19.4008 -18.9369 -18.9369 -18.7855 -18.7855 -14.1530 -14.1530 -13.9899 -13.9899 -13.9340 -13.9340 -8.5536 -8.5536 -8.4215 -8.4215 4.3184 4.3184 4.3707 4.3707 5.1754 5.1754 5.3840 5.3840 5.7192 5.7192 6.2130 6.2130 11.7458 11.7458 12.0190 12.0190 12.9240 12.9240 14.3118 14.3118 k = 0.7645-0.2775-0.7289 ( 2948 PWs) bands (ev): -42.0387 -42.0387 -40.2577 -40.2577 -19.3997 -19.3997 -18.9338 -18.9338 -18.7833 -18.7833 -14.1525 -14.1525 -13.9886 -13.9886 -13.9338 -13.9338 -8.5580 -8.5580 -8.4243 -8.4243 4.3105 4.3105 4.3616 4.3616 5.1994 5.1994 5.3902 5.3902 5.7182 5.7182 6.2362 6.2362 11.7324 11.7324 11.9899 11.9899 12.9506 12.9506 14.2843 14.2843 k = 0.7595-0.2695-0.7135 ( 2950 PWs) bands (ev): -42.0388 -42.0388 -40.2586 -40.2586 -19.3983 -19.3983 -18.9306 -18.9306 -18.7810 -18.7810 -14.1520 -14.1520 -13.9875 -13.9875 -13.9336 -13.9336 -8.5619 -8.5619 -8.4282 -8.4282 4.3055 4.3055 4.3514 4.3514 5.2213 5.2213 5.3995 5.3995 5.7164 5.7164 6.2592 6.2592 11.7204 11.7204 11.9613 11.9613 12.9745 12.9745 14.2534 14.2534 k = 0.7545-0.2616-0.6981 ( 2950 PWs) bands (ev): -42.0390 -42.0390 -40.2596 -40.2596 -19.3965 -19.3965 -18.9274 -18.9274 -18.7785 -18.7785 -14.1514 -14.1514 -13.9862 -13.9862 -13.9334 -13.9334 -8.5654 -8.5654 -8.4331 -8.4331 4.3033 4.3033 4.3405 4.3405 5.2411 5.2411 5.4120 5.4120 5.7140 5.7140 6.2819 6.2819 11.7100 11.7100 11.9333 11.9333 12.9958 12.9958 14.2190 14.2190 k = 0.7495-0.2536-0.6827 ( 2944 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.3944 -19.3944 -18.9243 -18.9243 -18.7757 -18.7757 -14.1507 -14.1507 -13.9850 -13.9850 -13.9332 -13.9332 -8.5685 -8.5685 -8.4390 -8.4390 4.3037 4.3037 4.3290 4.3290 5.2587 5.2587 5.4274 5.4274 5.7112 5.7112 6.3043 6.3043 11.7012 11.7012 11.9061 11.9061 13.0141 13.0141 14.1815 14.1815 k = 0.7445-0.2457-0.6673 ( 2944 PWs) bands (ev): -42.0394 -42.0394 -40.2618 -40.2618 -19.3920 -19.3920 -18.9212 -18.9212 -18.7728 -18.7728 -14.1499 -14.1499 -13.9837 -13.9837 -13.9330 -13.9330 -8.5711 -8.5711 -8.4459 -8.4459 4.3063 4.3063 4.3176 4.3176 5.2739 5.2739 5.4456 5.4456 5.7079 5.7079 6.3263 6.3263 11.6939 11.6939 11.8796 11.8796 13.0295 13.0295 14.1409 14.1409 k = 0.7395-0.2377-0.6519 ( 2940 PWs) bands (ev): -42.0396 -42.0396 -40.2629 -40.2629 -19.3891 -19.3891 -18.9181 -18.9181 -18.7697 -18.7697 -14.1490 -14.1490 -13.9825 -13.9825 -13.9327 -13.9327 -8.5733 -8.5733 -8.4538 -8.4538 4.3022 4.3022 4.3152 4.3152 5.2867 5.2867 5.4666 5.4666 5.7044 5.7044 6.3478 6.3478 11.6881 11.6881 11.8541 11.8541 13.0418 13.0418 14.0976 14.0976 k = 0.7346-0.2298-0.6365 ( 2938 PWs) bands (ev): -42.0398 -42.0398 -40.2642 -40.2642 -19.3860 -19.3860 -18.9152 -18.9152 -18.7665 -18.7665 -14.1480 -14.1480 -13.9812 -13.9812 -13.9324 -13.9324 -8.5751 -8.5751 -8.4626 -8.4626 4.2902 4.2902 4.3232 4.3232 5.2968 5.2968 5.4900 5.4900 5.7009 5.7009 6.3686 6.3686 11.6838 11.6838 11.8294 11.8294 13.0511 13.0511 14.0519 14.0519 k = 0.7296-0.2218-0.6211 ( 2942 PWs) bands (ev): -42.0401 -42.0401 -40.2655 -40.2655 -19.3825 -19.3825 -18.9122 -18.9122 -18.7630 -18.7630 -14.1469 -14.1469 -13.9800 -13.9800 -13.9321 -13.9321 -8.5764 -8.5764 -8.4725 -8.4725 4.2776 4.2776 4.3344 4.3344 5.3043 5.3043 5.5158 5.5158 5.6974 5.6974 6.3887 6.3887 11.6809 11.6809 11.8056 11.8056 13.0573 13.0573 14.0041 14.0041 k = 0.7246-0.2139-0.6057 ( 2940 PWs) bands (ev): -42.0403 -42.0403 -40.2669 -40.2669 -19.3786 -19.3786 -18.9093 -18.9093 -18.7594 -18.7594 -14.1458 -14.1458 -13.9788 -13.9788 -13.9317 -13.9317 -8.5773 -8.5773 -8.4832 -8.4832 4.2650 4.2650 4.3483 4.3483 5.3092 5.3092 5.5437 5.5437 5.6942 5.6942 6.4080 6.4080 11.6795 11.6795 11.7831 11.7831 13.0602 13.0602 13.9547 13.9547 k = 0.7196-0.2059-0.5903 ( 2942 PWs) bands (ev): -42.0406 -42.0406 -40.2683 -40.2683 -19.3745 -19.3745 -18.9065 -18.9065 -18.7556 -18.7556 -14.1445 -14.1445 -13.9777 -13.9777 -13.9313 -13.9313 -8.5779 -8.5779 -8.4949 -8.4949 4.2529 4.2529 4.3645 4.3645 5.3115 5.3115 5.5736 5.5736 5.6913 5.6913 6.4263 6.4263 11.6795 11.6795 11.7617 11.7617 13.0599 13.0599 13.9039 13.9039 k = 0.7146-0.1980-0.5749 ( 2942 PWs) bands (ev): -42.0409 -42.0409 -40.2698 -40.2698 -19.3701 -19.3701 -18.9037 -18.9037 -18.7516 -18.7516 -14.1432 -14.1432 -13.9765 -13.9765 -13.9309 -13.9309 -8.5780 -8.5780 -8.5075 -8.5075 4.2412 4.2412 4.3829 4.3829 5.3112 5.3112 5.6053 5.6053 5.6889 5.6889 6.4436 6.4436 11.6808 11.6808 11.7414 11.7414 13.0566 13.0566 13.8522 13.8522 k = 0.7096-0.1900-0.5594 ( 2940 PWs) bands (ev): -42.0412 -42.0412 -40.2713 -40.2713 -19.3654 -19.3654 -18.9009 -18.9009 -18.7475 -18.7475 -14.1418 -14.1418 -13.9754 -13.9754 -13.9304 -13.9304 -8.5777 -8.5777 -8.5209 -8.5209 4.2303 4.2303 4.4035 4.4035 5.3087 5.3087 5.6383 5.6383 5.6871 5.6871 6.4597 6.4597 11.6831 11.6831 11.7226 11.7226 13.0502 13.0502 13.8000 13.8000 k = 0.7046-0.1821-0.5440 ( 2938 PWs) bands (ev): -42.0414 -42.0414 -40.2729 -40.2729 -19.3604 -19.3604 -18.8980 -18.8980 -18.7433 -18.7433 -14.1403 -14.1403 -13.9742 -13.9742 -13.9299 -13.9299 -8.5771 -8.5771 -8.5350 -8.5350 4.2203 4.2203 4.4258 4.4258 5.3041 5.3041 5.6709 5.6709 5.6876 5.6876 6.4745 6.4745 11.6857 11.6857 11.7060 11.7060 13.0407 13.0407 13.7476 13.7476 k = 0.6996-0.1741-0.5286 ( 2940 PWs) bands (ev): -42.0418 -42.0418 -40.2745 -40.2745 -19.3553 -19.3553 -18.8952 -18.8952 -18.7389 -18.7389 -14.1388 -14.1388 -13.9732 -13.9732 -13.9293 -13.9293 -8.5764 -8.5764 -8.5497 -8.5497 4.2113 4.2113 4.4497 4.4497 5.2977 5.2977 5.6817 5.6817 5.7116 5.7116 6.4879 6.4879 11.6830 11.6830 11.6972 11.6972 13.0282 13.0282 13.6954 13.6954 k = 0.6946-0.1662-0.5132 ( 2936 PWs) bands (ev): -42.0421 -42.0421 -40.2762 -40.2762 -19.3500 -19.3500 -18.8922 -18.8922 -18.7344 -18.7344 -14.1373 -14.1373 -13.9721 -13.9721 -13.9286 -13.9286 -8.5766 -8.5766 -8.5638 -8.5638 4.2035 4.2035 4.4748 4.4748 5.2899 5.2899 5.6818 5.6818 5.7480 5.7480 6.4998 6.4998 11.6706 11.6706 11.7006 11.7006 13.0129 13.0129 13.6439 13.6439 k = 0.6896-0.1582-0.4978 ( 2942 PWs) bands (ev): -42.0424 -42.0424 -40.2780 -40.2780 -19.3446 -19.3446 -18.8892 -18.8892 -18.7298 -18.7298 -14.1358 -14.1358 -13.9711 -13.9711 -13.9279 -13.9279 -8.5853 -8.5853 -8.5699 -8.5699 4.1970 4.1970 4.5008 4.5008 5.2811 5.2811 5.6818 5.6818 5.7859 5.7859 6.5100 6.5100 11.6574 11.6574 11.7071 11.7071 12.9948 12.9948 13.5933 13.5933 k = 0.6846-0.1503-0.4824 ( 2940 PWs) bands (ev): -42.0427 -42.0427 -40.2797 -40.2797 -19.3390 -19.3390 -18.8861 -18.8861 -18.7251 -18.7251 -14.1342 -14.1342 -13.9701 -13.9701 -13.9271 -13.9271 -8.6013 -8.6013 -8.5689 -8.5689 4.1918 4.1918 4.5272 4.5272 5.2717 5.2717 5.6822 5.6822 5.8248 5.8248 6.5185 6.5185 11.6453 11.6453 11.7148 11.7148 12.9742 12.9742 13.5441 13.5441 k = 0.6797-0.1423-0.4670 ( 2940 PWs) bands (ev): -42.0430 -42.0430 -40.2815 -40.2815 -19.3335 -19.3335 -18.8828 -18.8828 -18.7203 -18.7203 -14.1326 -14.1326 -13.9691 -13.9691 -13.9262 -13.9262 -8.6187 -8.6187 -8.5668 -8.5668 4.1882 4.1882 4.5534 4.5534 5.2623 5.2623 5.6832 5.6832 5.8644 5.8644 6.5251 6.5251 11.6344 11.6344 11.7234 11.7234 12.9512 12.9512 13.4966 13.4966 k = 0.6747-0.1344-0.4516 ( 2938 PWs) bands (ev): -42.0434 -42.0434 -40.2833 -40.2833 -19.3279 -19.3279 -18.8793 -18.8793 -18.7154 -18.7154 -14.1310 -14.1310 -13.9681 -13.9681 -13.9253 -13.9253 -8.6369 -8.6369 -8.5641 -8.5641 4.1862 4.1862 4.5789 4.5789 5.2533 5.2533 5.6849 5.6849 5.9044 5.9044 6.5297 6.5297 11.6250 11.6250 11.7328 11.7328 12.9260 12.9260 13.4511 13.4511 k = 0.6697-0.1264-0.4362 ( 2934 PWs) bands (ev): -42.0437 -42.0437 -40.2851 -40.2851 -19.3224 -19.3224 -18.8757 -18.8757 -18.7105 -18.7105 -14.1294 -14.1294 -13.9671 -13.9671 -13.9242 -13.9242 -8.6557 -8.6557 -8.5612 -8.5612 4.1858 4.1858 4.6031 4.6031 5.2454 5.2454 5.6876 5.6876 5.9449 5.9449 6.5322 6.5322 11.6170 11.6170 11.7428 11.7428 12.8987 12.8987 13.4081 13.4081 k = 0.6647-0.1185-0.4208 ( 2932 PWs) bands (ev): -42.0440 -42.0440 -40.2870 -40.2870 -19.3170 -19.3170 -18.8718 -18.8718 -18.7054 -18.7054 -14.1279 -14.1279 -13.9661 -13.9661 -13.9232 -13.9232 -8.6750 -8.6750 -8.5579 -8.5579 4.1872 4.1872 4.6250 4.6250 5.2389 5.2389 5.6916 5.6916 5.9856 5.9856 6.5325 6.5325 11.6104 11.6104 11.7533 11.7533 12.8696 12.8696 13.3677 13.3677 k = 0.6597-0.1105-0.4054 ( 2932 PWs) bands (ev): -42.0444 -42.0444 -40.2889 -40.2889 -19.3117 -19.3117 -18.8677 -18.8677 -18.7004 -18.7004 -14.1264 -14.1264 -13.9651 -13.9651 -13.9220 -13.9220 -8.6946 -8.6946 -8.5544 -8.5544 4.1903 4.1903 4.6440 4.6440 5.2345 5.2345 5.6971 5.6971 6.0263 6.0263 6.5304 6.5304 11.6050 11.6050 11.7642 11.7642 12.8389 12.8389 13.3303 13.3303 k = 0.6547-0.1026-0.3900 ( 2932 PWs) bands (ev): -42.0447 -42.0447 -40.2907 -40.2907 -19.3066 -19.3066 -18.8634 -18.8634 -18.6952 -18.6952 -14.1251 -14.1251 -13.9641 -13.9641 -13.9208 -13.9208 -8.7146 -8.7146 -8.5507 -8.5507 4.1954 4.1954 4.6594 4.6594 5.2323 5.2323 5.7047 5.7047 6.0670 6.0670 6.5260 6.5260 11.6010 11.6010 11.7754 11.7754 12.8068 12.8068 13.2962 13.2962 k = 0.6497-0.0946-0.3746 ( 2932 PWs) bands (ev): -42.0451 -42.0451 -40.2926 -40.2926 -19.3017 -19.3017 -18.8589 -18.8589 -18.6900 -18.6900 -14.1237 -14.1237 -13.9631 -13.9631 -13.9196 -13.9196 -8.7348 -8.7348 -8.5468 -8.5468 4.2023 4.2023 4.6706 4.6706 5.2326 5.2326 5.7148 5.7148 6.1074 6.1074 6.5192 6.5192 11.5983 11.5983 11.7868 11.7868 12.7736 12.7736 13.2656 13.2656 k = 0.6447-0.0867-0.3591 ( 2932 PWs) bands (ev): -42.0454 -42.0454 -40.2945 -40.2945 -19.2971 -19.2971 -18.8541 -18.8541 -18.6848 -18.6848 -14.1225 -14.1225 -13.9621 -13.9621 -13.9182 -13.9182 -8.7552 -8.7552 -8.5428 -8.5428 4.2112 4.2112 4.6774 4.6774 5.2350 5.2350 5.7279 5.7279 6.1475 6.1475 6.5098 6.5098 11.5968 11.5968 11.7981 11.7981 12.7393 12.7393 13.2388 13.2388 k = 0.6397-0.0787-0.3437 ( 2934 PWs) bands (ev): -42.0458 -42.0458 -40.2964 -40.2964 -19.2927 -19.2927 -18.8491 -18.8491 -18.6794 -18.6794 -14.1213 -14.1213 -13.9611 -13.9611 -13.9169 -13.9169 -8.7758 -8.7758 -8.5386 -8.5386 4.2221 4.2221 4.6796 4.6796 5.2392 5.2392 5.7447 5.7447 6.1872 6.1872 6.4980 6.4980 11.5965 11.5965 11.8095 11.8095 12.7042 12.7042 13.2160 13.2160 k = 0.6347-0.0708-0.3283 ( 2932 PWs) bands (ev): -42.0461 -42.0461 -40.2983 -40.2983 -19.2885 -19.2885 -18.8439 -18.8439 -18.6740 -18.6740 -14.1203 -14.1203 -13.9600 -13.9600 -13.9154 -13.9154 -8.7965 -8.7965 -8.5343 -8.5343 4.2351 4.2351 4.6775 4.6775 5.2445 5.2445 5.7655 5.7655 6.2262 6.2262 6.4836 6.4836 11.5973 11.5973 11.8206 11.8206 12.6686 12.6686 13.1974 13.1974 k = 0.6298-0.0628-0.3129 ( 2932 PWs) bands (ev): -42.0465 -42.0465 -40.3001 -40.3001 -19.2847 -19.2847 -18.8385 -18.8385 -18.6686 -18.6686 -14.1193 -14.1193 -13.9590 -13.9590 -13.9139 -13.9139 -8.8171 -8.8171 -8.5299 -8.5299 4.2500 4.2500 4.6715 4.6715 5.2500 5.2500 5.7908 5.7908 6.2643 6.2643 6.4666 6.4666 11.5992 11.5992 11.8315 11.8315 12.6326 12.6326 13.1831 13.1831 k = 0.6248-0.0549-0.2975 ( 2932 PWs) bands (ev): -42.0468 -42.0468 -40.3020 -40.3020 -19.2812 -19.2812 -18.8330 -18.8330 -18.6630 -18.6630 -14.1185 -14.1185 -13.9579 -13.9579 -13.9124 -13.9124 -8.8377 -8.8377 -8.5255 -8.5255 4.2671 4.2671 4.6622 4.6622 5.2551 5.2551 5.8207 5.8207 6.3014 6.3014 6.4473 6.4473 11.6021 11.6021 11.8419 11.8419 12.5964 12.5964 13.1733 13.1733 k = 0.6198-0.0469-0.2821 ( 2942 PWs) bands (ev): -42.0471 -42.0471 -40.3038 -40.3038 -19.2780 -19.2780 -18.8273 -18.8273 -18.6575 -18.6575 -14.1178 -14.1178 -13.9569 -13.9569 -13.9108 -13.9108 -8.8581 -8.8581 -8.5210 -8.5210 4.2860 4.2860 4.6501 4.6501 5.2592 5.2592 5.8551 5.8551 6.3367 6.3367 6.4263 6.4263 11.6059 11.6059 11.8518 11.8518 12.5602 12.5602 13.1680 13.1680 k = 0.6148-0.0390-0.2667 ( 2944 PWs) bands (ev): -42.0475 -42.0475 -40.3056 -40.3056 -19.2752 -19.2752 -18.8216 -18.8216 -18.6518 -18.6518 -14.1172 -14.1172 -13.9559 -13.9559 -13.9092 -13.9092 -8.8783 -8.8783 -8.5165 -8.5165 4.3072 4.3072 4.6357 4.6357 5.2619 5.2619 5.8939 5.8939 6.3659 6.3659 6.4078 6.4078 11.6106 11.6106 11.8611 11.8611 12.5242 12.5242 13.1673 13.1673 k = 0.6098-0.0310-0.2513 ( 2948 PWs) bands (ev): -42.0478 -42.0478 -40.3073 -40.3073 -19.2726 -19.2726 -18.8158 -18.8158 -18.6461 -18.6461 -14.1167 -14.1167 -13.9549 -13.9549 -13.9075 -13.9075 -8.8983 -8.8983 -8.5120 -8.5120 4.3304 4.3304 4.6197 4.6197 5.2632 5.2632 5.9366 5.9366 6.3625 6.3625 6.4180 6.4180 11.6161 11.6161 11.8695 11.8695 12.4885 12.4885 13.1713 13.1713 k = 0.6048-0.0231-0.2359 ( 2944 PWs) bands (ev): -42.0481 -42.0481 -40.3090 -40.3090 -19.2704 -19.2704 -18.8101 -18.8101 -18.6403 -18.6403 -14.1162 -14.1162 -13.9538 -13.9538 -13.9058 -13.9058 -8.9179 -8.9179 -8.5075 -8.5075 4.3556 4.3556 4.6025 4.6025 5.2630 5.2630 5.9828 5.9828 6.3360 6.3360 6.4479 6.4479 11.6225 11.6225 11.8771 11.8771 12.4535 12.4535 13.1799 13.1799 k = 0.5998-0.0151-0.2205 ( 2952 PWs) bands (ev): -42.0484 -42.0484 -40.3107 -40.3107 -19.2684 -19.2684 -18.8044 -18.8044 -18.6345 -18.6345 -14.1159 -14.1159 -13.9528 -13.9528 -13.9041 -13.9041 -8.9372 -8.9372 -8.5031 -8.5031 4.3828 4.3828 4.5844 4.5844 5.2613 5.2613 6.0317 6.0317 6.3043 6.3043 6.4791 6.4791 11.6295 11.6295 11.8836 11.8836 12.4192 12.4192 13.1930 13.1930 k = 0.5948-0.0072-0.2051 ( 2954 PWs) bands (ev): -42.0487 -42.0487 -40.3123 -40.3123 -19.2667 -19.2667 -18.7988 -18.7988 -18.6286 -18.6286 -14.1157 -14.1157 -13.9518 -13.9518 -13.9024 -13.9024 -8.9559 -8.9559 -8.4988 -8.4988 4.4121 4.4121 4.5658 4.5658 5.2584 5.2584 6.0828 6.0828 6.2697 6.2697 6.5096 6.5096 11.6373 11.6373 11.8889 11.8889 12.3860 12.3860 13.2106 13.2106 k = 0.5898 0.0008-0.1897 ( 2958 PWs) bands (ev): -42.0490 -42.0490 -40.3139 -40.3139 -19.2653 -19.2653 -18.7934 -18.7934 -18.6227 -18.6227 -14.1156 -14.1156 -13.9508 -13.9508 -13.9007 -13.9007 -8.9742 -8.9742 -8.4946 -8.4946 4.4432 4.4432 4.5471 4.5471 5.2545 5.2545 6.1353 6.1353 6.2329 6.2329 6.5389 6.5389 11.6455 11.6455 11.8929 11.8929 12.3540 12.3540 13.2326 13.2326 k = 0.5848 0.0087-0.1743 ( 2958 PWs) bands (ev): -42.0493 -42.0493 -40.3154 -40.3154 -19.2640 -19.2640 -18.7881 -18.7881 -18.6168 -18.6168 -14.1155 -14.1155 -13.9499 -13.9499 -13.8989 -13.8989 -8.9918 -8.9918 -8.4904 -8.4904 4.4762 4.4762 4.5284 4.5284 5.2499 5.2499 6.1827 6.1827 6.1999 6.1999 6.5669 6.5669 11.6544 11.6544 11.8953 11.8953 12.3235 12.3235 13.2587 13.2587 k = 0.5798 0.0167-0.1588 ( 2964 PWs) bands (ev): -42.0496 -42.0496 -40.3168 -40.3168 -19.2631 -19.2631 -18.7830 -18.7830 -18.6110 -18.6110 -14.1155 -14.1155 -13.9490 -13.9490 -13.8972 -13.8972 -9.0088 -9.0088 -8.4864 -8.4864 4.5066 4.5066 4.5145 4.5145 5.2445 5.2445 6.1501 6.1501 6.2451 6.2451 6.5935 6.5935 11.6637 11.6637 11.8962 11.8962 12.2946 12.2946 13.2890 13.2890 k = 0.5749 0.0246-0.1434 ( 2964 PWs) bands (ev): -42.0498 -42.0498 -40.3182 -40.3182 -19.2623 -19.2623 -18.7782 -18.7782 -18.6052 -18.6052 -14.1156 -14.1156 -13.9481 -13.9481 -13.8955 -13.8955 -9.0251 -9.0251 -8.4826 -8.4826 4.4910 4.4910 4.5487 4.5487 5.2388 5.2388 6.1069 6.1069 6.2990 6.2990 6.6186 6.6186 11.6734 11.6734 11.8952 11.8952 12.2678 12.2678 13.3231 13.3231 k = 0.5699 0.0326-0.1280 ( 2968 PWs) bands (ev): -42.0501 -42.0501 -40.3195 -40.3195 -19.2616 -19.2616 -18.7737 -18.7737 -18.5995 -18.5995 -14.1157 -14.1157 -13.9473 -13.9473 -13.8938 -13.8938 -9.0407 -9.0407 -8.4789 -8.4789 4.4735 4.4735 4.5871 4.5871 5.2327 5.2327 6.0615 6.0615 6.3526 6.3526 6.6422 6.6422 11.6834 11.6834 11.8924 11.8924 12.2432 12.2432 13.3609 13.3609 k = 0.5649 0.0406-0.1126 ( 2966 PWs) bands (ev): -42.0503 -42.0503 -40.3207 -40.3207 -19.2611 -19.2611 -18.7694 -18.7694 -18.5939 -18.5939 -14.1158 -14.1158 -13.9465 -13.9465 -13.8922 -13.8922 -9.0554 -9.0554 -8.4754 -8.4754 4.4566 4.4566 4.6274 4.6274 5.2266 5.2266 6.0144 6.0144 6.4052 6.4052 6.6642 6.6642 11.6937 11.6937 11.8877 11.8877 12.2211 12.2211 13.4022 13.4022 k = 0.5599 0.0485-0.0972 ( 2964 PWs) bands (ev): -42.0505 -42.0505 -40.3219 -40.3219 -19.2608 -19.2608 -18.7655 -18.7655 -18.5885 -18.5885 -14.1160 -14.1160 -13.9458 -13.9458 -13.8906 -13.8906 -9.0692 -9.0692 -8.4721 -8.4721 4.4405 4.4405 4.6692 4.6692 5.2205 5.2205 5.9658 5.9658 6.4562 6.4562 6.6847 6.6847 11.7039 11.7039 11.8811 11.8811 12.2015 12.2015 13.4467 13.4467 k = 0.5549 0.0565-0.0818 ( 2958 PWs) bands (ev): -42.0507 -42.0507 -40.3230 -40.3230 -19.2605 -19.2605 -18.7618 -18.7618 -18.5833 -18.5833 -14.1162 -14.1162 -13.9451 -13.9451 -13.8891 -13.8891 -9.0821 -9.0821 -8.4691 -8.4691 4.4253 4.4253 4.7127 4.7127 5.2145 5.2145 5.9158 5.9158 6.5053 6.5053 6.7036 6.7036 11.7142 11.7142 11.8728 11.8728 12.1845 12.1845 13.4942 13.4942 k = 0.5499 0.0644-0.0664 ( 2958 PWs) bands (ev): -42.0509 -42.0509 -40.3240 -40.3240 -19.2604 -19.2604 -18.7585 -18.7585 -18.5784 -18.5784 -14.1164 -14.1164 -13.9444 -13.9444 -13.8877 -13.8877 -9.0941 -9.0941 -8.4662 -8.4662 4.4112 4.4112 4.7575 4.7575 5.2088 5.2088 5.8647 5.8647 6.5517 6.5517 6.7208 6.7208 11.7241 11.7241 11.8630 11.8630 12.1700 12.1700 13.5444 13.5444 k = 0.5449 0.0724-0.0510 ( 2958 PWs) bands (ev): -42.0511 -42.0511 -40.3249 -40.3249 -19.2603 -19.2603 -18.7555 -18.7555 -18.5738 -18.5738 -14.1166 -14.1166 -13.9439 -13.9439 -13.8864 -13.8864 -9.1050 -9.1050 -8.4636 -8.4636 4.3981 4.3981 4.8036 4.8036 5.2033 5.2033 5.8127 5.8127 6.5953 6.5953 6.7365 6.7365 11.7337 11.7337 11.8522 11.8522 12.1579 12.1579 13.5971 13.5971 k = 0.5399 0.0803-0.0356 ( 2958 PWs) bands (ev): -42.0512 -42.0512 -40.3257 -40.3257 -19.2602 -19.2602 -18.7528 -18.7528 -18.5696 -18.5696 -14.1168 -14.1168 -13.9434 -13.9434 -13.8852 -13.8852 -9.1149 -9.1149 -8.4612 -8.4612 4.3863 4.3863 4.8507 4.8507 5.1983 5.1983 5.7601 5.7601 6.6354 6.6354 6.7506 6.7506 11.7428 11.7428 11.8408 11.8408 12.1479 12.1479 13.6520 13.6520 k = 0.5349 0.0883-0.0202 ( 2956 PWs) bands (ev): -42.0514 -42.0514 -40.3264 -40.3264 -19.2602 -19.2602 -18.7504 -18.7504 -18.5657 -18.5657 -14.1170 -14.1170 -13.9429 -13.9429 -13.8841 -13.8841 -9.1238 -9.1238 -8.4591 -8.4591 4.3757 4.3757 4.8988 4.8988 5.1937 5.1937 5.7070 5.7070 6.6717 6.6717 6.7633 6.7633 11.7512 11.7512 11.8293 11.8293 12.1398 12.1398 13.7086 13.7086 k = 0.5299 0.0962-0.0048 ( 2956 PWs) bands (ev): -42.0515 -42.0515 -40.3271 -40.3271 -19.2602 -19.2602 -18.7484 -18.7484 -18.5623 -18.5623 -14.1172 -14.1172 -13.9425 -13.9425 -13.8831 -13.8831 -9.1315 -9.1315 -8.4573 -8.4573 4.3664 4.3664 4.9474 4.9474 5.1896 5.1896 5.6539 5.6539 6.7037 6.7037 6.7745 6.7745 11.7589 11.7589 11.8183 11.8183 12.1333 12.1333 13.7666 13.7666 k = 0.5250 0.1042 0.0106 ( 2960 PWs) bands (ev): -42.0516 -42.0516 -40.3276 -40.3276 -19.2603 -19.2603 -18.7467 -18.7467 -18.5594 -18.5594 -14.1174 -14.1174 -13.9422 -13.9422 -13.8823 -13.8823 -9.1381 -9.1381 -8.4557 -8.4557 4.3584 4.3584 4.9961 4.9961 5.1861 5.1861 5.6012 5.6012 6.7308 6.7308 6.7844 6.7844 11.7655 11.7655 11.8081 11.8081 12.1282 12.1282 13.8252 13.8252 k = 0.5200 0.1121 0.0260 ( 2962 PWs) bands (ev): -42.0517 -42.0517 -40.3281 -40.3281 -19.2603 -19.2603 -18.7453 -18.7453 -18.5569 -18.5569 -14.1176 -14.1176 -13.9420 -13.9420 -13.8816 -13.8816 -9.1435 -9.1435 -8.4544 -8.4544 4.3519 4.3519 5.0442 5.0442 5.1832 5.1832 5.5497 5.5497 6.7528 6.7528 6.7933 6.7933 11.7712 11.7712 11.7991 11.7991 12.1243 12.1243 13.8837 13.8837 k = 0.5150 0.1201 0.0415 ( 2962 PWs) bands (ev): -42.0517 -42.0517 -40.3284 -40.3284 -19.2604 -19.2604 -18.7442 -18.7442 -18.5550 -18.5550 -14.1177 -14.1177 -13.9418 -13.9418 -13.8811 -13.8811 -9.1477 -9.1477 -8.4534 -8.4534 4.3468 4.3468 5.0904 5.0904 5.1811 5.1811 5.5007 5.5007 6.7690 6.7690 6.8013 6.8013 11.7757 11.7757 11.7918 11.7918 12.1213 12.1213 13.9402 13.9402 k = 0.5100 0.1280 0.0569 ( 2964 PWs) bands (ev): -42.0518 -42.0518 -40.3287 -40.3287 -19.2604 -19.2604 -18.7434 -18.7434 -18.5536 -18.5536 -14.1178 -14.1178 -13.9416 -13.9416 -13.8807 -13.8807 -9.1507 -9.1507 -8.4527 -8.4527 4.3431 4.3431 5.1319 5.1319 5.1798 5.1798 5.4569 5.4569 6.7796 6.7796 6.8082 6.8082 11.7787 11.7787 11.7866 11.7866 12.1193 12.1193 13.9916 13.9916 k = 0.5050 0.1360 0.0723 ( 2966 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2605 -19.2605 -18.7430 -18.7430 -18.5527 -18.5527 -14.1179 -14.1179 -13.9415 -13.9415 -13.8805 -13.8805 -9.1526 -9.1526 -8.4522 -8.4522 4.3409 4.3409 5.1618 5.1618 5.1810 5.1810 5.4237 5.4237 6.7853 6.7853 6.8130 6.8130 11.7801 11.7801 11.7839 11.7839 12.1181 12.1181 14.0311 14.0311 k = 0.5000 0.1439 0.0877 ( 2960 PWs) bands (ev): -42.0518 -42.0518 -40.3289 -40.3289 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1179 -14.1179 -13.9415 -13.9415 -13.8804 -13.8804 -9.1532 -9.1532 -8.4521 -8.4521 4.3401 4.3401 5.1704 5.1704 5.1849 5.1849 5.4106 5.4106 6.7872 6.7872 6.8148 6.8148 11.7801 11.7801 11.7834 11.7834 12.1178 12.1178 14.0468 14.0468 k = 0.5000 0.1439 0.0877 ( 2960 PWs) bands (ev): -42.0518 -42.0518 -40.3289 -40.3289 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1179 -14.1179 -13.9415 -13.9415 -13.8804 -13.8804 -9.1532 -9.1532 -8.4521 -8.4521 4.3401 4.3401 5.1704 5.1704 5.1849 5.1849 5.4106 5.4106 6.7872 6.7872 6.8148 6.8148 11.7801 11.7801 11.7834 11.7834 12.1178 12.1178 14.0468 14.0468 k = 0.4828 0.1390 0.0847 ( 2966 PWs) bands (ev): -42.0518 -42.0518 -40.3289 -40.3289 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1178 -14.1178 -13.9415 -13.9415 -13.8804 -13.8804 -9.1539 -9.1539 -8.4513 -8.4513 4.3355 4.3355 5.1702 5.1702 5.1847 5.1847 5.4163 5.4163 6.7874 6.7874 6.8150 6.8150 11.7800 11.7800 11.7834 11.7834 12.1181 12.1181 14.0286 14.0286 k = 0.4655 0.1340 0.0816 ( 2954 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1176 -14.1176 -13.9414 -13.9414 -13.8804 -13.8804 -9.1561 -9.1561 -8.4491 -8.4491 4.3221 4.3221 5.1698 5.1698 5.1843 5.1843 5.4332 5.4332 6.7881 6.7881 6.8157 6.8157 11.7800 11.7800 11.7833 11.7833 12.1192 12.1192 13.9795 13.9795 k = 0.4483 0.1290 0.0786 ( 2963 PWs) bands (ev): -42.0518 -42.0518 -40.3289 -40.3289 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1175 -14.1175 -13.9413 -13.9413 -13.8804 -13.8804 -9.1596 -9.1596 -8.4455 -8.4455 4.3007 4.3007 5.1690 5.1690 5.1835 5.1835 5.4601 5.4601 6.7893 6.7893 6.8169 6.8169 11.7796 11.7796 11.7829 11.7829 12.1210 12.1210 13.9100 13.9100 k = 0.4310 0.1241 0.0756 ( 2963 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2606 -19.2606 -18.7429 -18.7429 -18.5524 -18.5524 -14.1172 -14.1172 -13.9412 -13.9412 -13.8804 -13.8804 -9.1645 -9.1645 -8.4406 -8.4406 4.2725 4.2725 5.1679 5.1679 5.1824 5.1824 5.4960 5.4960 6.7909 6.7909 6.8186 6.8186 11.7792 11.7792 11.7825 11.7825 12.1235 12.1235 13.8286 13.8286 k = 0.4138 0.1191 0.0726 ( 2969 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2606 -19.2606 -18.7429 -18.7429 -18.5524 -18.5524 -14.1169 -14.1169 -13.9410 -13.9410 -13.8804 -13.8804 -9.1706 -9.1706 -8.4345 -8.4345 4.2389 4.2389 5.1666 5.1666 5.1811 5.1811 5.5392 5.5392 6.7930 6.7930 6.8207 6.8207 11.7786 11.7786 11.7820 11.7820 12.1266 12.1266 13.7403 13.7403 k = 0.3966 0.1141 0.0695 ( 2969 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2607 -19.2607 -18.7429 -18.7429 -18.5524 -18.5524 -14.1165 -14.1165 -13.9408 -13.9408 -13.8804 -13.8804 -9.1777 -9.1777 -8.4273 -8.4273 4.2013 4.2013 5.1650 5.1650 5.1795 5.1795 5.5886 5.5886 6.7955 6.7955 6.8232 6.8232 11.7780 11.7780 11.7814 11.7814 12.1304 12.1304 13.6482 13.6482 k = 0.3793 0.1092 0.0665 ( 2957 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2607 -19.2607 -18.7429 -18.7429 -18.5524 -18.5524 -14.1159 -14.1159 -13.9405 -13.9405 -13.8804 -13.8804 -9.1857 -9.1857 -8.4191 -8.4191 4.1609 4.1609 5.1632 5.1632 5.1777 5.1777 5.6428 5.6428 6.7984 6.7984 6.8261 6.8261 11.7774 11.7774 11.7808 11.7808 12.1350 12.1350 13.5542 13.5542 k = 0.3621 0.1042 0.0635 ( 2948 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2608 -19.2608 -18.7430 -18.7430 -18.5524 -18.5524 -14.1153 -14.1153 -13.9401 -13.9401 -13.8803 -13.8803 -9.1946 -9.1946 -8.4101 -8.4101 4.1187 4.1187 5.1612 5.1612 5.1757 5.1757 5.7006 5.7006 6.8017 6.8017 6.8293 6.8293 11.7766 11.7766 11.7800 11.7800 12.1399 12.1399 13.4592 13.4592 k = 0.3448 0.0993 0.0605 ( 2949 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2608 -19.2608 -18.7430 -18.7430 -18.5524 -18.5524 -14.1148 -14.1148 -13.9398 -13.9398 -13.8803 -13.8803 -9.2041 -9.2041 -8.4005 -8.4005 4.0755 4.0755 5.1590 5.1590 5.1735 5.1735 5.7610 5.7610 6.8052 6.8052 6.8329 6.8329 11.7757 11.7757 11.7792 11.7792 12.1453 12.1453 13.3642 13.3642 k = 0.3276 0.0943 0.0574 ( 2949 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2609 -19.2609 -18.7431 -18.7431 -18.5524 -18.5524 -14.1141 -14.1141 -13.9394 -13.9394 -13.8803 -13.8803 -9.2140 -9.2140 -8.3904 -8.3904 4.0320 4.0320 5.1566 5.1566 5.1711 5.1711 5.8233 5.8233 6.8090 6.8090 6.8367 6.8367 11.7748 11.7748 11.7782 11.7782 12.1510 12.1510 13.2700 13.2700 k = 0.3103 0.0893 0.0544 ( 2949 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2610 -19.2610 -18.7431 -18.7431 -18.5524 -18.5524 -14.1135 -14.1135 -13.9391 -13.9391 -13.8803 -13.8803 -9.2244 -9.2244 -8.3800 -8.3800 3.9887 3.9887 5.1541 5.1541 5.1686 5.1686 5.8868 5.8868 6.8130 6.8130 6.8407 6.8407 11.7737 11.7737 11.7772 11.7772 12.1572 12.1572 13.1769 13.1769 k = 0.2931 0.0844 0.0514 ( 2952 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2611 -19.2611 -18.7432 -18.7432 -18.5524 -18.5524 -14.1128 -14.1128 -13.9387 -13.9387 -13.8803 -13.8803 -9.2349 -9.2349 -8.3693 -8.3693 3.9461 3.9461 5.1515 5.1515 5.1660 5.1660 5.9507 5.9507 6.8172 6.8172 6.8449 6.8449 11.7727 11.7727 11.7762 11.7762 12.1636 12.1636 13.0857 13.0857 k = 0.2759 0.0794 0.0484 ( 2952 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2612 -19.2612 -18.7432 -18.7432 -18.5524 -18.5524 -14.1121 -14.1121 -13.9383 -13.9383 -13.8803 -13.8803 -9.2454 -9.2454 -8.3586 -8.3586 3.9047 3.9047 5.1488 5.1488 5.1633 5.1633 6.0145 6.0145 6.8215 6.8215 6.8492 6.8492 11.7716 11.7716 11.7751 11.7751 12.1701 12.1701 12.9966 12.9966 k = 0.2586 0.0744 0.0454 ( 2952 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2613 -19.2613 -18.7433 -18.7433 -18.5524 -18.5524 -14.1114 -14.1114 -13.9379 -13.9379 -13.8803 -13.8803 -9.2559 -9.2559 -8.3479 -8.3479 3.8647 3.8647 5.1461 5.1461 5.1606 5.1606 6.0777 6.0777 6.8259 6.8259 6.8536 6.8536 11.7705 11.7705 11.7740 11.7740 12.1768 12.1768 12.9101 12.9101 k = 0.2414 0.0695 0.0423 ( 2952 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2614 -19.2614 -18.7433 -18.7433 -18.5524 -18.5524 -14.1107 -14.1107 -13.9375 -13.9375 -13.8803 -13.8803 -9.2663 -9.2663 -8.3375 -8.3375 3.8263 3.8263 5.1434 5.1434 5.1579 5.1579 6.1397 6.1397 6.8303 6.8303 6.8580 6.8580 11.7693 11.7693 11.7730 11.7730 12.1834 12.1834 12.8268 12.8268 k = 0.2241 0.0645 0.0393 ( 2952 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2615 -19.2615 -18.7434 -18.7434 -18.5524 -18.5524 -14.1100 -14.1100 -13.9370 -13.9370 -13.8803 -13.8803 -9.2763 -9.2763 -8.3272 -8.3272 3.7898 3.7898 5.1407 5.1407 5.1552 5.1552 6.2001 6.2001 6.8346 6.8346 6.8623 6.8623 11.7682 11.7682 11.7719 11.7719 12.1898 12.1898 12.7469 12.7469 k = 0.2069 0.0596 0.0363 ( 2958 PWs) bands (ev): -42.0519 -42.0519 -40.3288 -40.3288 -19.2616 -19.2616 -18.7434 -18.7434 -18.5524 -18.5524 -14.1093 -14.1093 -13.9366 -13.9366 -13.8804 -13.8804 -9.2860 -9.2860 -8.3174 -8.3174 3.7555 3.7555 5.1381 5.1381 5.1525 5.1525 6.2584 6.2584 6.8389 6.8389 6.8666 6.8666 11.7671 11.7671 11.7708 11.7708 12.1959 12.1959 12.6710 12.6710 k = 0.1897 0.0546 0.0333 ( 2946 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2617 -19.2617 -18.7435 -18.7435 -18.5524 -18.5524 -14.1085 -14.1085 -13.9362 -13.9362 -13.8803 -13.8803 -9.2952 -9.2952 -8.3080 -8.3080 3.7234 3.7234 5.1355 5.1355 5.1500 5.1500 6.3142 6.3142 6.8431 6.8431 6.8708 6.8708 11.7661 11.7661 11.7698 11.7698 12.2016 12.2016 12.5997 12.5997 k = 0.1724 0.0496 0.0302 ( 2946 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2618 -19.2618 -18.7435 -18.7435 -18.5524 -18.5524 -14.1079 -14.1079 -13.9358 -13.9358 -13.8803 -13.8803 -9.3039 -9.3039 -8.2992 -8.2992 3.6937 3.6937 5.1331 5.1331 5.1476 5.1476 6.3669 6.3669 6.8471 6.8471 6.8747 6.8747 11.7651 11.7651 11.7688 11.7688 12.2065 12.2065 12.5333 12.5333 k = 0.1552 0.0447 0.0272 ( 2940 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2619 -19.2619 -18.7436 -18.7436 -18.5524 -18.5524 -14.1073 -14.1073 -13.9353 -13.9353 -13.8803 -13.8803 -9.3120 -9.3120 -8.2910 -8.2910 3.6665 3.6665 5.1309 5.1309 5.1454 5.1454 6.4162 6.4162 6.8509 6.8509 6.8784 6.8784 11.7642 11.7642 11.7679 11.7679 12.2105 12.2105 12.4727 12.4727 k = 0.1379 0.0397 0.0242 ( 2934 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2619 -19.2619 -18.7436 -18.7436 -18.5524 -18.5524 -14.1067 -14.1067 -13.9349 -13.9349 -13.8802 -13.8802 -9.3193 -9.3193 -8.2835 -8.2835 3.6419 3.6419 5.1289 5.1289 5.1433 5.1433 6.4616 6.4616 6.8544 6.8544 6.8819 6.8819 11.7633 11.7633 11.7671 11.7671 12.2128 12.2128 12.4185 12.4185 k = 0.1207 0.0347 0.0212 ( 2937 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2620 -19.2620 -18.7436 -18.7436 -18.5524 -18.5524 -14.1062 -14.1062 -13.9346 -13.9346 -13.8803 -13.8803 -9.3260 -9.3260 -8.2768 -8.2768 3.6200 3.6200 5.1269 5.1269 5.1414 5.1414 6.5028 6.5028 6.8576 6.8576 6.8850 6.8850 11.7624 11.7624 11.7662 11.7662 12.2127 12.2127 12.3721 12.3721 k = 0.1034 0.0298 0.0181 ( 2937 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2621 -19.2621 -18.7437 -18.7437 -18.5524 -18.5524 -14.1057 -14.1057 -13.9343 -13.9343 -13.8803 -13.8803 -9.3318 -9.3318 -8.2708 -8.2708 3.6009 3.6009 5.1252 5.1252 5.1396 5.1396 6.5394 6.5394 6.8605 6.8605 6.8879 6.8879 11.7617 11.7617 11.7656 11.7656 12.2087 12.2087 12.3351 12.3351 k = 0.0862 0.0248 0.0151 ( 2934 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2621 -19.2621 -18.7437 -18.7437 -18.5524 -18.5524 -14.1053 -14.1053 -13.9341 -13.9341 -13.8803 -13.8803 -9.3369 -9.3369 -8.2657 -8.2657 3.5846 3.5846 5.1237 5.1237 5.1382 5.1382 6.5709 6.5709 6.8630 6.8630 6.8903 6.8903 11.7611 11.7611 11.7649 11.7649 12.1997 12.1997 12.3090 12.3090 k = 0.0690 0.0199 0.0121 ( 2937 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7437 -18.7437 -18.5524 -18.5524 -14.1050 -14.1050 -13.9339 -13.9339 -13.8803 -13.8803 -9.3410 -9.3410 -8.2614 -8.2614 3.5712 3.5712 5.1225 5.1225 5.1369 5.1369 6.5971 6.5971 6.8651 6.8651 6.8923 6.8923 11.7605 11.7605 11.7644 11.7644 12.1861 12.1861 12.2933 12.2933 k = 0.0517 0.0149 0.0091 ( 2949 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7438 -18.7438 -18.5524 -18.5524 -14.1048 -14.1048 -13.9338 -13.9338 -13.8804 -13.8804 -9.3443 -9.3443 -8.2581 -8.2581 3.5607 3.5607 5.1215 5.1215 5.1359 5.1359 6.6178 6.6178 6.8667 6.8667 6.8938 6.8938 11.7600 11.7600 11.7639 11.7639 12.1713 12.1713 12.2851 12.2851 k = 0.0345 0.0099 0.0060 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7437 -18.7437 -18.5524 -18.5524 -14.1044 -14.1044 -13.9335 -13.9335 -13.8803 -13.8803 -9.3466 -9.3466 -8.2557 -8.2557 3.5534 3.5534 5.1208 5.1208 5.1353 5.1353 6.6329 6.6329 6.8680 6.8680 6.8950 6.8950 11.7599 11.7599 11.7638 11.7638 12.1586 12.1586 12.2814 12.2814 k = 0.0172 0.0050 0.0030 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7437 -18.7437 -18.5524 -18.5524 -14.1043 -14.1043 -13.9334 -13.9334 -13.8803 -13.8803 -9.3481 -9.3481 -8.2543 -8.2543 3.5489 3.5489 5.1204 5.1204 5.1348 5.1348 6.6419 6.6419 6.8687 6.8687 6.8957 6.8957 11.7597 11.7597 11.7636 11.7636 12.1503 12.1503 12.2797 12.2797 k = 0.0000 0.0000 0.0000 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7438 -18.7438 -18.5524 -18.5524 -14.1043 -14.1043 -13.9334 -13.9334 -13.8803 -13.8803 -9.3485 -9.3485 -8.2538 -8.2538 3.5474 3.5474 5.1203 5.1203 5.1347 5.1347 6.6449 6.6449 6.8690 6.8690 6.8959 6.8959 11.7596 11.7596 11.7635 11.7635 12.1475 12.1475 12.2792 12.2792 k = 0.0000 0.0000 0.0000 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3287 -40.3287 -19.2622 -19.2622 -18.7438 -18.7438 -18.5524 -18.5524 -14.1043 -14.1043 -13.9334 -13.9334 -13.8803 -13.8803 -9.3485 -9.3485 -8.2538 -8.2538 3.5474 3.5474 5.1203 5.1203 5.1347 5.1347 6.6449 6.6449 6.8690 6.8690 6.8959 6.8959 11.7596 11.7596 11.7635 11.7635 12.1475 12.1475 12.2792 12.2792 k = 0.0050-0.0079-0.0153 ( 2925 PWs) bands (ev): -42.0519 -42.0519 -40.3286 -40.3286 -19.2622 -19.2622 -18.7439 -18.7439 -18.5527 -18.5527 -14.1043 -14.1043 -13.9334 -13.9334 -13.8804 -13.8804 -9.3478 -9.3478 -8.2541 -8.2541 3.5485 3.5485 5.1198 5.1198 5.1343 5.1343 6.6457 6.6457 6.8668 6.8668 6.8939 6.8939 11.7598 11.7598 11.7640 11.7640 12.1506 12.1506 12.2795 12.2795 k = 0.0099-0.0158-0.0307 ( 2921 PWs) bands (ev): -42.0518 -42.0518 -40.3285 -40.3285 -19.2621 -19.2621 -18.7444 -18.7444 -18.5535 -18.5535 -14.1043 -14.1043 -13.9335 -13.9335 -13.8806 -13.8806 -9.3455 -9.3455 -8.2550 -8.2550 3.5518 3.5518 5.1178 5.1178 5.1336 5.1336 6.6481 6.6481 6.8598 6.8598 6.8884 6.8884 11.7593 11.7593 11.7667 11.7667 12.1600 12.1600 12.2803 12.2803 k = 0.0149-0.0237-0.0460 ( 2921 PWs) bands (ev): -42.0518 -42.0518 -40.3282 -40.3282 -19.2621 -19.2621 -18.7451 -18.7451 -18.5549 -18.5549 -14.1043 -14.1043 -13.9337 -13.9337 -13.8810 -13.8810 -9.3418 -9.3418 -8.2565 -8.2565 3.5573 3.5573 5.1134 5.1134 5.1336 5.1336 6.6520 6.6520 6.8462 6.8462 6.8810 6.8810 11.7575 11.7575 11.7720 11.7720 12.1753 12.1753 12.2818 12.2818 k = 0.0199-0.0317-0.0614 ( 2923 PWs) bands (ev): -42.0517 -42.0517 -40.3279 -40.3279 -19.2620 -19.2620 -18.7462 -18.7462 -18.5568 -18.5568 -14.1044 -14.1044 -13.9339 -13.9339 -13.8816 -13.8816 -9.3366 -9.3366 -8.2587 -8.2587 3.5649 3.5649 5.1060 5.1060 5.1349 5.1349 6.6571 6.6571 6.8255 6.8255 6.8730 6.8730 11.7546 11.7546 11.7795 11.7795 12.1962 12.1962 12.2844 12.2844 k = 0.0248-0.0396-0.0767 ( 2921 PWs) bands (ev): -42.0516 -42.0516 -40.3274 -40.3274 -19.2620 -19.2620 -18.7476 -18.7476 -18.5593 -18.5593 -14.1045 -14.1045 -13.9342 -13.9342 -13.8823 -13.8823 -9.3300 -9.3300 -8.2614 -8.2614 3.5747 3.5747 5.0961 5.0961 5.1373 5.1373 6.6634 6.6634 6.7978 6.7978 6.8641 6.8641 11.7511 11.7511 11.7889 11.7889 12.2213 12.2213 12.2894 12.2894 k = 0.0298-0.0475-0.0920 ( 2921 PWs) bands (ev): -42.0515 -42.0515 -40.3269 -40.3269 -19.2619 -19.2619 -18.7493 -18.7493 -18.5622 -18.5622 -14.1046 -14.1046 -13.9346 -13.9346 -13.8831 -13.8831 -9.3220 -9.3220 -8.2647 -8.2647 3.5866 3.5866 5.0839 5.0839 5.1406 5.1406 6.6702 6.6702 6.7641 6.7641 6.8542 6.8542 11.7468 11.7468 11.7998 11.7998 12.2468 12.2468 12.3004 12.3004 k = 0.0348-0.0554-0.1074 ( 2927 PWs) bands (ev): -42.0514 -42.0514 -40.3263 -40.3263 -19.2618 -19.2618 -18.7513 -18.7513 -18.5656 -18.5656 -14.1047 -14.1047 -13.9351 -13.9351 -13.8841 -13.8841 -9.3125 -9.3125 -8.2685 -8.2685 3.6006 3.6006 5.0698 5.0698 5.1446 5.1446 6.6764 6.6764 6.7260 6.7260 6.8431 6.8431 11.7420 11.7420 11.8120 11.8120 12.2651 12.2651 12.3249 12.3249 k = 0.0397-0.0633-0.1227 ( 2923 PWs) bands (ev): -42.0513 -42.0513 -40.3256 -40.3256 -19.2618 -19.2618 -18.7536 -18.7536 -18.5694 -18.5694 -14.1049 -14.1049 -13.9356 -13.9356 -13.8852 -13.8852 -9.3017 -9.3017 -8.2729 -8.2729 3.6167 3.6167 5.0542 5.0542 5.1492 5.1492 6.6684 6.6684 6.6971 6.6971 6.8307 6.8307 11.7368 11.7368 11.8254 11.8254 12.2750 12.2750 12.3637 12.3637 k = 0.0447-0.0712-0.1380 ( 2923 PWs) bands (ev): -42.0511 -42.0511 -40.3247 -40.3247 -19.2617 -19.2617 -18.7562 -18.7562 -18.5736 -18.5736 -14.1051 -14.1051 -13.9362 -13.9362 -13.8864 -13.8864 -9.2895 -9.2895 -8.2779 -8.2779 3.6349 3.6349 5.0372 5.0372 5.1543 5.1543 6.6248 6.6248 6.6991 6.6991 6.8173 6.8173 11.7313 11.7313 11.8395 11.8395 12.2818 12.2818 12.4114 12.4114 k = 0.0497-0.0792-0.1534 ( 2925 PWs) bands (ev): -42.0510 -42.0510 -40.3238 -40.3238 -19.2618 -19.2618 -18.7592 -18.7592 -18.5781 -18.5781 -14.1053 -14.1053 -13.9369 -13.9369 -13.8878 -13.8878 -9.2761 -9.2761 -8.2833 -8.2833 3.6550 3.6550 5.0190 5.0190 5.1598 5.1598 6.5720 6.5720 6.7054 6.7054 6.8032 6.8032 11.7255 11.7255 11.8542 11.8542 12.2880 12.2880 12.4651 12.4651 k = 0.0546-0.0871-0.1687 ( 2925 PWs) bands (ev): -42.0508 -42.0508 -40.3229 -40.3229 -19.2619 -19.2619 -18.7625 -18.7625 -18.5830 -18.5830 -14.1055 -14.1055 -13.9377 -13.9377 -13.8892 -13.8892 -9.2614 -9.2614 -8.2893 -8.2893 3.6771 3.6771 5.0000 5.0000 5.1657 5.1657 6.5148 6.5148 6.7103 6.7103 6.7892 6.7892 11.7198 11.7198 11.8691 11.8691 12.2948 12.2948 12.5233 12.5233 k = 0.0596-0.0950-0.1841 ( 2923 PWs) bands (ev): -42.0506 -42.0506 -40.3218 -40.3218 -19.2621 -19.2621 -18.7660 -18.7660 -18.5881 -18.5881 -14.1058 -14.1058 -13.9385 -13.9385 -13.8907 -13.8907 -9.2455 -9.2455 -8.2957 -8.2957 3.7012 3.7012 4.9803 4.9803 5.1718 5.1718 6.4543 6.4543 6.7115 6.7115 6.7773 6.7773 11.7141 11.7141 11.8840 11.8840 12.3028 12.3028 12.5853 12.5853 k = 0.0646-0.1029-0.1994 ( 2919 PWs) bands (ev): -42.0504 -42.0504 -40.3206 -40.3206 -19.2623 -19.2623 -18.7699 -18.7699 -18.5935 -18.5935 -14.1061 -14.1061 -13.9394 -13.9394 -13.8922 -13.8922 -9.2285 -9.2285 -8.3026 -8.3026 3.7271 3.7271 4.9603 4.9603 5.1780 5.1780 6.3911 6.3911 6.7059 6.7059 6.7700 6.7700 11.7087 11.7087 11.8985 11.8985 12.3123 12.3123 12.6502 12.6502 k = 0.0696-0.1108-0.2147 ( 2923 PWs) bands (ev): -42.0501 -42.0501 -40.3194 -40.3194 -19.2627 -19.2627 -18.7741 -18.7741 -18.5990 -18.5990 -14.1066 -14.1066 -13.9404 -13.9404 -13.8938 -13.8938 -9.2105 -9.2105 -8.3099 -8.3099 3.7548 3.7548 4.9400 4.9400 5.1841 5.1841 6.3257 6.3257 6.6925 6.6925 6.7680 6.7680 11.7035 11.7035 11.9122 11.9122 12.3236 12.3236 12.7175 12.7175 k = 0.0745-0.1187-0.2301 ( 2923 PWs) bands (ev): -42.0499 -42.0499 -40.3181 -40.3181 -19.2633 -19.2633 -18.7786 -18.7786 -18.6046 -18.6046 -14.1070 -14.1070 -13.9414 -13.9414 -13.8955 -13.8955 -9.1914 -9.1914 -8.3176 -8.3176 3.7842 3.7842 4.9197 4.9197 5.1900 5.1900 6.2588 6.2588 6.6734 6.6734 6.7693 6.7693 11.6988 11.6988 11.9250 11.9250 12.3371 12.3371 12.7865 12.7865 k = 0.0795-0.1266-0.2454 ( 2923 PWs) bands (ev): -42.0496 -42.0496 -40.3168 -40.3168 -19.2640 -19.2640 -18.7833 -18.7833 -18.6104 -18.6104 -14.1075 -14.1075 -13.9425 -13.9425 -13.8972 -13.8972 -9.1713 -9.1713 -8.3256 -8.3256 3.8154 3.8154 4.8995 4.8995 5.1955 5.1955 6.1907 6.1907 6.6505 6.6505 6.7715 6.7715 11.6946 11.6946 11.9364 11.9364 12.3531 12.3531 12.8567 12.8567 k = 0.0845-0.1346-0.2608 ( 2927 PWs) bands (ev): -42.0494 -42.0494 -40.3153 -40.3153 -19.2649 -19.2649 -18.7883 -18.7883 -18.6163 -18.6163 -14.1081 -14.1081 -13.9437 -13.9437 -13.8989 -13.8989 -9.1504 -9.1504 -8.3340 -8.3340 3.8481 3.8481 4.8796 4.8796 5.2003 5.2003 6.1222 6.1222 6.6252 6.6252 6.7735 6.7735 11.6910 11.6910 11.9463 11.9463 12.3715 12.3715 12.9272 12.9272 k = 0.0894-0.1425-0.2761 ( 2925 PWs) bands (ev): -42.0491 -42.0491 -40.3138 -40.3138 -19.2660 -19.2660 -18.7935 -18.7935 -18.6221 -18.6221 -14.1088 -14.1088 -13.9449 -13.9449 -13.9006 -13.9006 -9.1286 -9.1286 -8.3427 -8.3427 3.8824 3.8824 4.8602 4.8602 5.2041 5.2041 6.0538 6.0538 6.5979 6.5979 6.7745 6.7745 11.6882 11.6882 11.9545 11.9545 12.3927 12.3927 12.9975 12.9975 k = 0.0944-0.1504-0.2914 ( 2927 PWs) bands (ev): -42.0488 -42.0488 -40.3123 -40.3123 -19.2673 -19.2673 -18.7989 -18.7989 -18.6280 -18.6280 -14.1095 -14.1095 -13.9462 -13.9462 -13.9023 -13.9023 -9.1061 -9.1061 -8.3516 -8.3516 3.9182 3.9182 4.8414 4.8414 5.2065 5.2065 5.9861 5.9861 6.5690 6.5690 6.7741 6.7741 11.6861 11.6861 11.9610 11.9610 12.4164 12.4164 13.0671 13.0671 k = 0.0994-0.1583-0.3068 ( 2927 PWs) bands (ev): -42.0485 -42.0485 -40.3107 -40.3107 -19.2689 -19.2689 -18.8044 -18.8044 -18.6338 -18.6338 -14.1103 -14.1103 -13.9475 -13.9475 -13.9040 -13.9040 -9.0829 -9.0829 -8.3608 -8.3608 3.9554 3.9554 4.8232 4.8232 5.2070 5.2070 5.9200 5.9200 6.5387 6.5387 6.7723 6.7723 11.6850 11.6850 11.9657 11.9657 12.4427 12.4427 13.1351 13.1351 k = 0.1043-0.1662-0.3221 ( 2928 PWs) bands (ev): -42.0482 -42.0482 -40.3091 -40.3091 -19.2707 -19.2707 -18.8100 -18.8100 -18.6397 -18.6397 -14.1112 -14.1112 -13.9489 -13.9489 -13.9056 -13.9056 -9.0592 -9.0592 -8.3702 -8.3702 3.9939 3.9939 4.8059 4.8059 5.2050 5.2050 5.8563 5.8563 6.5071 6.5071 6.7687 6.7687 11.6847 11.6847 11.9687 11.9687 12.4712 12.4712 13.2010 13.2010 k = 0.1093-0.1741-0.3375 ( 2928 PWs) bands (ev): -42.0479 -42.0479 -40.3074 -40.3074 -19.2729 -19.2729 -18.8156 -18.8156 -18.6454 -18.6454 -14.1122 -14.1122 -13.9503 -13.9503 -13.9072 -13.9072 -9.0349 -9.0349 -8.3797 -8.3797 4.0336 4.0336 4.7895 4.7895 5.1995 5.1995 5.7959 5.7959 6.4744 6.4744 6.7634 6.7634 11.6854 11.6854 11.9702 11.9702 12.5018 12.5018 13.2642 13.2642 k = 0.1143-0.1821-0.3528 ( 2932 PWs) bands (ev): -42.0476 -42.0476 -40.3056 -40.3056 -19.2753 -19.2753 -18.8213 -18.8213 -18.6511 -18.6511 -14.1132 -14.1132 -13.9517 -13.9517 -13.9088 -13.9088 -9.0101 -9.0101 -8.3893 -8.3893 4.0745 4.0745 4.7740 4.7740 5.1898 5.1898 5.7400 5.7400 6.4407 6.4407 6.7562 6.7562 11.6870 11.6870 11.9704 11.9704 12.5341 12.5341 13.3241 13.3241 k = 0.1192-0.1900-0.3681 ( 2924 PWs) bands (ev): -42.0472 -42.0472 -40.3039 -40.3039 -19.2781 -19.2781 -18.8270 -18.8270 -18.6568 -18.6568 -14.1143 -14.1143 -13.9531 -13.9531 -13.9103 -13.9103 -8.9850 -8.9850 -8.3990 -8.3990 4.1164 4.1164 4.7596 4.7596 5.1747 5.1747 5.6899 5.6899 6.4062 6.4062 6.7472 6.7472 11.6897 11.6897 11.9693 11.9693 12.5680 12.5680 13.3804 13.3804 k = 0.1242-0.1979-0.3835 ( 2926 PWs) bands (ev): -42.0469 -42.0469 -40.3021 -40.3021 -19.2811 -19.2811 -18.8325 -18.8325 -18.6624 -18.6624 -14.1156 -14.1156 -13.9545 -13.9545 -13.9118 -13.9118 -8.9596 -8.9596 -8.4087 -8.4087 4.1592 4.1592 4.7463 4.7463 5.1534 5.1534 5.6464 5.6464 6.3708 6.3708 6.7363 6.7363 11.6933 11.6933 11.9671 11.9671 12.6029 12.6029 13.4325 13.4325 k = 0.1292-0.2058-0.3988 ( 2932 PWs) bands (ev): -42.0466 -42.0466 -40.3002 -40.3002 -19.2845 -19.2845 -18.8380 -18.8380 -18.6679 -18.6679 -14.1169 -14.1169 -13.9560 -13.9560 -13.9133 -13.9133 -8.9340 -8.9340 -8.4185 -8.4185 4.2029 4.2029 4.7340 4.7340 5.1254 5.1254 5.6102 5.6102 6.3348 6.3348 6.7235 6.7235 11.6978 11.6978 11.9641 11.9641 12.6385 12.6385 13.4805 13.4805 k = 0.1341-0.2137-0.4141 ( 2932 PWs) bands (ev): -42.0462 -42.0462 -40.2984 -40.2984 -19.2882 -19.2882 -18.8433 -18.8433 -18.6734 -18.6734 -14.1183 -14.1183 -13.9574 -13.9574 -13.9147 -13.9147 -8.9083 -8.9083 -8.4282 -8.4282 4.2474 4.2474 4.7230 4.7230 5.0908 5.0908 5.5813 5.5813 6.2982 6.2982 6.7089 6.7089 11.7034 11.7034 11.9603 11.9603 12.6746 12.6746 13.5243 13.5243 k = 0.1391-0.2216-0.4295 ( 2928 PWs) bands (ev): -42.0459 -42.0459 -40.2965 -40.2965 -19.2922 -19.2922 -18.8485 -18.8485 -18.6787 -18.6787 -14.1197 -14.1197 -13.9588 -13.9588 -13.9161 -13.9161 -8.8826 -8.8826 -8.4378 -8.4378 4.2926 4.2926 4.7131 4.7131 5.0505 5.0505 5.5591 5.5591 6.2613 6.2613 6.6926 6.6926 11.7100 11.7100 11.9559 11.9559 12.7107 12.7107 13.5640 13.5640 k = 0.1441-0.2295-0.4448 ( 2928 PWs) bands (ev): -42.0455 -42.0455 -40.2947 -40.2947 -19.2965 -19.2965 -18.8534 -18.8534 -18.6841 -18.6841 -14.1212 -14.1212 -13.9602 -13.9602 -13.9174 -13.9174 -8.8568 -8.8568 -8.4472 -8.4472 4.3382 4.3382 4.7044 4.7044 5.0056 5.0056 5.5423 5.5423 6.2241 6.2241 6.6746 6.6746 11.7175 11.7175 11.9511 11.9511 12.7465 12.7465 13.6000 13.6000 k = 0.1490-0.2375-0.4602 ( 2936 PWs) bands (ev): -42.0452 -42.0452 -40.2928 -40.2928 -19.3010 -19.3010 -18.8581 -18.8581 -18.6893 -18.6893 -14.1229 -14.1229 -13.9616 -13.9616 -13.9187 -13.9187 -8.8312 -8.8312 -8.4566 -8.4566 4.3842 4.3842 4.6969 4.6969 4.9576 4.9576 5.5297 5.5297 6.1866 6.1866 6.6549 6.6549 11.7260 11.7260 11.9459 11.9459 12.7815 12.7815 13.6327 13.6327 k = 0.1540-0.2454-0.4755 ( 2938 PWs) bands (ev): -42.0448 -42.0448 -40.2909 -40.2909 -19.3058 -19.3058 -18.8627 -18.8627 -18.6945 -18.6945 -14.1245 -14.1245 -13.9630 -13.9630 -13.9199 -13.9199 -8.8058 -8.8058 -8.4657 -8.4657 4.4303 4.4303 4.6906 4.6906 4.9078 4.9078 5.5201 5.5201 6.1493 6.1493 6.6338 6.6338 11.7353 11.7353 11.9405 11.9405 12.8155 12.8155 13.6625 13.6625 k = 0.1590-0.2533-0.4908 ( 2938 PWs) bands (ev): -42.0445 -42.0445 -40.2891 -40.2891 -19.3108 -19.3108 -18.8669 -18.8669 -18.6997 -18.6997 -14.1262 -14.1262 -13.9643 -13.9643 -13.9211 -13.9211 -8.7807 -8.7807 -8.4746 -8.4746 4.4764 4.4764 4.6855 4.6855 4.8574 4.8574 5.5125 5.5125 6.1120 6.1120 6.6111 6.6111 11.7456 11.7456 11.9350 11.9350 12.8480 12.8480 13.6900 13.6900 k = 0.1639-0.2612-0.5062 ( 2934 PWs) bands (ev): -42.0441 -42.0441 -40.2872 -40.2872 -19.3160 -19.3160 -18.8709 -18.8709 -18.7047 -18.7047 -14.1279 -14.1279 -13.9655 -13.9655 -13.9222 -13.9222 -8.7559 -8.7559 -8.4832 -8.4832 4.5217 4.5217 4.6814 4.6814 4.8079 4.8079 5.5062 5.5062 6.0750 6.0750 6.5871 6.5871 11.7567 11.7567 11.9294 11.9294 12.8789 12.8789 13.7157 13.7157 k = 0.1689-0.2691-0.5215 ( 2936 PWs) bands (ev): -42.0438 -42.0438 -40.2854 -40.2854 -19.3213 -19.3213 -18.8748 -18.8748 -18.7097 -18.7097 -14.1296 -14.1296 -13.9668 -13.9668 -13.9233 -13.9233 -8.7315 -8.7315 -8.4915 -8.4915 4.5651 4.5651 4.6784 4.6784 4.7610 4.7610 5.5005 5.5005 6.0384 6.0384 6.5618 6.5618 11.7686 11.7686 11.9240 11.9240 12.9075 12.9075 13.7401 13.7401 k = 0.1739-0.2770-0.5369 ( 2938 PWs) bands (ev): -42.0435 -42.0435 -40.2835 -40.2835 -19.3267 -19.3267 -18.8784 -18.8784 -18.7147 -18.7147 -14.1314 -14.1314 -13.9681 -13.9681 -13.9243 -13.9243 -8.7076 -8.7076 -8.4994 -8.4994 4.6016 4.6016 4.6761 4.6761 4.7224 4.7224 5.4948 5.4948 6.0024 6.0024 6.5354 6.5354 11.7813 11.7813 11.9187 11.9187 12.9338 12.9338 13.7635 13.7635 k = 0.1789-0.2850-0.5522 ( 2940 PWs) bands (ev): -42.0431 -42.0431 -40.2817 -40.2817 -19.3322 -19.3322 -18.8818 -18.8818 -18.7196 -18.7196 -14.1331 -14.1331 -13.9693 -13.9693 -13.9253 -13.9253 -8.6843 -8.6843 -8.5070 -8.5070 4.6120 4.6120 4.6747 4.6747 4.7113 4.7113 5.4888 5.4888 5.9672 5.9672 6.5079 6.5079 11.7948 11.7948 11.9136 11.9136 12.9574 12.9574 13.7864 13.7864 k = 0.1838-0.2929-0.5675 ( 2942 PWs) bands (ev): -42.0428 -42.0428 -40.2800 -40.2800 -19.3377 -19.3377 -18.8851 -18.8851 -18.7243 -18.7243 -14.1349 -14.1349 -13.9705 -13.9705 -13.9262 -13.9262 -8.6617 -8.6617 -8.5142 -8.5142 4.5857 4.5857 4.6751 4.6751 4.7377 4.7377 5.4821 5.4821 5.9328 5.9328 6.4795 6.4795 11.8090 11.8090 11.9090 11.9090 12.9782 12.9782 13.8091 13.8091 k = 0.1888-0.3008-0.5829 ( 2942 PWs) bands (ev): -42.0425 -42.0425 -40.2782 -40.2782 -19.3432 -19.3432 -18.8882 -18.8882 -18.7290 -18.7290 -14.1366 -14.1366 -13.9717 -13.9717 -13.9271 -13.9271 -8.6397 -8.6397 -8.5209 -8.5209 4.5475 4.5475 4.6760 4.6760 4.7779 4.7779 5.4747 5.4747 5.8995 5.8995 6.4501 6.4501 11.8238 11.8238 11.9047 11.9047 12.9958 12.9958 13.8317 13.8317 k = 0.1938-0.3087-0.5982 ( 2946 PWs) bands (ev): -42.0422 -42.0422 -40.2765 -40.2765 -19.3486 -19.3486 -18.8912 -18.8912 -18.7336 -18.7336 -14.1383 -14.1383 -13.9729 -13.9729 -13.9279 -13.9279 -8.6186 -8.6186 -8.5271 -8.5271 4.5080 4.5080 4.6774 4.6774 4.8216 4.8216 5.4661 5.4661 5.8673 5.8673 6.4201 6.4201 11.8392 11.8392 11.9010 11.9010 13.0102 13.0102 13.8544 13.8544 k = 0.1987-0.3166-0.6136 ( 2944 PWs) bands (ev): -42.0418 -42.0418 -40.2748 -40.2748 -19.3539 -19.3539 -18.8940 -18.8940 -18.7381 -18.7381 -14.1399 -14.1399 -13.9741 -13.9741 -13.9287 -13.9287 -8.5983 -8.5983 -8.5328 -8.5328 4.4697 4.4697 4.6794 4.6794 4.8661 4.8661 5.4564 5.4564 5.8366 5.8366 6.3894 6.3894 11.8551 11.8551 11.8980 11.8980 13.0215 13.0215 13.8773 13.8773 k = 0.2037-0.3245-0.6289 ( 2948 PWs) bands (ev): -42.0415 -42.0415 -40.2732 -40.2732 -19.3590 -19.3590 -18.8969 -18.8969 -18.7425 -18.7425 -14.1415 -14.1415 -13.9753 -13.9753 -13.9294 -13.9294 -8.5790 -8.5790 -8.5378 -8.5378 4.4334 4.4334 4.6817 4.6817 4.9106 4.9106 5.4453 5.4453 5.8075 5.8075 6.3581 6.3581 11.8710 11.8710 11.8962 11.8962 13.0294 13.0294 13.9003 13.9003 k = 0.2087-0.3324-0.6442 ( 2942 PWs) bands (ev): -42.0412 -42.0412 -40.2716 -40.2716 -19.3640 -19.3640 -18.8997 -18.8997 -18.7467 -18.7467 -14.1430 -14.1430 -13.9765 -13.9765 -13.9300 -13.9300 -8.5613 -8.5613 -8.5416 -8.5416 4.3997 4.3997 4.6843 4.6843 4.9548 4.9548 5.4328 5.4328 5.7803 5.7803 6.3264 6.3264 11.8843 11.8843 11.8984 11.8984 13.0340 13.0340 13.9234 13.9234 k = 0.2136-0.3404-0.6596 ( 2942 PWs) bands (ev): -42.0410 -42.0410 -40.2701 -40.2701 -19.3687 -19.3687 -18.9025 -18.9025 -18.7508 -18.7508 -14.1444 -14.1444 -13.9777 -13.9777 -13.9306 -13.9306 -8.5506 -8.5506 -8.5389 -8.5389 4.3686 4.3686 4.6871 4.6871 4.9983 4.9983 5.4188 5.4188 5.7549 5.7549 6.2944 6.2944 11.8883 11.8883 11.9111 11.9111 13.0354 13.0354 13.9466 13.9466 k = 0.2186-0.3483-0.6749 ( 2944 PWs) bands (ev): -42.0407 -42.0407 -40.2686 -40.2686 -19.3731 -19.3731 -18.9053 -18.9053 -18.7548 -18.7548 -14.1458 -14.1458 -13.9789 -13.9789 -13.9312 -13.9312 -8.5519 -8.5519 -8.5246 -8.5246 4.3404 4.3404 4.6898 4.6898 5.0410 5.0410 5.4032 5.4032 5.7316 5.7316 6.2621 6.2621 11.8888 11.8888 11.9284 11.9284 13.0336 13.0336 13.9697 13.9697 k = 0.2236-0.3562-0.6902 ( 2944 PWs) bands (ev): -42.0404 -42.0404 -40.2671 -40.2671 -19.3773 -19.3773 -18.9081 -18.9081 -18.7586 -18.7586 -14.1471 -14.1471 -13.9801 -13.9801 -13.9317 -13.9317 -8.5545 -8.5545 -8.5095 -8.5095 4.3152 4.3152 4.6923 4.6923 5.0828 5.0828 5.3859 5.3859 5.7107 5.7107 6.2297 6.2297 11.8894 11.8894 11.9470 11.9470 13.0288 13.0288 13.9927 13.9927 k = 0.2285-0.3641-0.7056 ( 2942 PWs) bands (ev): -42.0402 -42.0402 -40.2658 -40.2658 -19.3812 -19.3812 -18.9109 -18.9109 -18.7622 -18.7622 -14.1483 -14.1483 -13.9813 -13.9813 -13.9321 -13.9321 -8.5567 -8.5567 -8.4953 -8.4953 4.2931 4.2931 4.6945 4.6945 5.1236 5.1236 5.3671 5.3671 5.6922 5.6922 6.1972 6.1972 11.8907 11.8907 11.9663 11.9663 13.0209 13.0209 14.0154 14.0154 k = 0.2335-0.3720-0.7209 ( 2944 PWs) bands (ev): -42.0399 -42.0399 -40.2644 -40.2644 -19.3848 -19.3848 -18.9139 -18.9139 -18.7657 -18.7657 -14.1493 -14.1493 -13.9825 -13.9825 -13.9326 -13.9326 -8.5583 -8.5583 -8.4821 -8.4821 4.2741 4.2741 4.6962 4.6962 5.1631 5.1631 5.3466 5.3466 5.6763 5.6763 6.1647 6.1647 11.8927 11.8927 11.9860 11.9860 13.0102 13.0102 14.0378 14.0378 k = 0.2385-0.3799-0.7363 ( 2942 PWs) bands (ev): -42.0397 -42.0397 -40.2632 -40.2632 -19.3880 -19.3880 -18.9168 -18.9168 -18.7690 -18.7690 -14.1503 -14.1503 -13.9837 -13.9837 -13.9329 -13.9329 -8.5594 -8.5594 -8.4701 -8.4701 4.2582 4.2582 4.6974 4.6974 5.2011 5.2011 5.3248 5.3248 5.6632 5.6632 6.1323 6.1323 11.8956 11.8956 12.0061 12.0061 12.9966 12.9966 14.0599 14.0599 k = 0.2434-0.3879-0.7516 ( 2948 PWs) bands (ev): -42.0395 -42.0395 -40.2620 -40.2620 -19.3909 -19.3909 -18.9199 -18.9199 -18.7721 -18.7721 -14.1512 -14.1512 -13.9849 -13.9849 -13.9333 -13.9333 -8.5598 -8.5598 -8.4593 -8.4593 4.2456 4.2456 4.6978 4.6978 5.2368 5.2368 5.3022 5.3022 5.6527 5.6527 6.1002 6.1002 11.8993 11.8993 12.0265 12.0265 12.9804 12.9804 14.0815 14.0815 k = 0.2484-0.3958-0.7669 ( 2944 PWs) bands (ev): -42.0393 -42.0393 -40.2609 -40.2609 -19.3934 -19.3934 -18.9230 -18.9230 -18.7750 -18.7750 -14.1520 -14.1520 -13.9861 -13.9861 -13.9336 -13.9336 -8.5596 -8.5596 -8.4496 -8.4496 4.2363 4.2363 4.6974 4.6974 5.2600 5.2600 5.2892 5.2892 5.6452 5.6452 6.0685 6.0685 11.9040 11.9040 12.0474 12.0474 12.9614 12.9614 14.1026 14.1026 k = 0.2534-0.4037-0.7823 ( 2948 PWs) bands (ev): -42.0391 -42.0391 -40.2598 -40.2598 -19.3956 -19.3956 -18.9261 -18.9261 -18.7777 -18.7777 -14.1527 -14.1527 -13.9873 -13.9873 -13.9339 -13.9339 -8.5588 -8.5588 -8.4412 -8.4412 4.2301 4.2301 4.6961 4.6961 5.2425 5.2425 5.3137 5.3137 5.6404 5.6404 6.0372 6.0372 11.9096 11.9096 12.0684 12.0684 12.9399 12.9399 14.1233 14.1233 k = 0.2583-0.4116-0.7976 ( 2946 PWs) bands (ev): -42.0389 -42.0389 -40.2588 -40.2588 -19.3975 -19.3975 -18.9293 -18.9293 -18.7802 -18.7802 -14.1532 -14.1532 -13.9885 -13.9885 -13.9341 -13.9341 -8.5573 -8.5573 -8.4340 -8.4340 4.2272 4.2272 4.6940 4.6940 5.2150 5.2150 5.3453 5.3453 5.6383 5.6383 6.0064 6.0064 11.9161 11.9161 12.0898 12.0898 12.9160 12.9160 14.1436 14.1436 k = 0.2633-0.4195-0.8130 ( 2950 PWs) bands (ev): -42.0387 -42.0387 -40.2579 -40.2579 -19.3990 -19.3990 -18.9325 -18.9325 -18.7826 -18.7826 -14.1537 -14.1537 -13.9896 -13.9896 -13.9344 -13.9344 -8.5552 -8.5552 -8.4280 -8.4280 4.2274 4.2274 4.6911 4.6911 5.1851 5.1851 5.3762 5.3762 5.6386 5.6386 5.9765 5.9765 11.9235 11.9235 12.1112 12.1112 12.8896 12.8896 14.1634 14.1634 k = 0.2683-0.4274-0.8283 ( 2950 PWs) bands (ev): -42.0386 -42.0386 -40.2570 -40.2570 -19.4002 -19.4002 -18.9357 -18.9357 -18.7848 -18.7848 -14.1541 -14.1541 -13.9907 -13.9907 -13.9346 -13.9346 -8.5525 -8.5525 -8.4233 -8.4233 4.2308 4.2308 4.6874 4.6874 5.1535 5.1535 5.4058 5.4058 5.6413 5.6413 5.9475 5.9475 11.9318 11.9318 12.1330 12.1330 12.8609 12.8609 14.1828 14.1828 k = 0.2732-0.4353-0.8436 ( 2944 PWs) bands (ev): -42.0384 -42.0384 -40.2562 -40.2562 -19.4011 -19.4011 -18.9388 -18.9388 -18.7868 -18.7868 -14.1544 -14.1544 -13.9917 -13.9917 -13.9347 -13.9347 -8.5491 -8.5491 -8.4198 -8.4198 4.2372 4.2372 4.6830 4.6830 5.1206 5.1206 5.4338 5.4338 5.6459 5.6459 5.9198 5.9198 11.9408 11.9408 12.1550 12.1550 12.8300 12.8300 14.2019 14.2019 k = 0.2782-0.4433-0.8590 ( 2950 PWs) bands (ev): -42.0383 -42.0383 -40.2555 -40.2555 -19.4017 -19.4017 -18.9419 -18.9419 -18.7887 -18.7887 -14.1546 -14.1546 -13.9928 -13.9928 -13.9349 -13.9349 -8.5452 -8.5452 -8.4175 -8.4175 4.2466 4.2466 4.6780 4.6780 5.0864 5.0864 5.4602 5.4602 5.6517 5.6517 5.8939 5.8939 11.9505 11.9505 12.1768 12.1768 12.7972 12.7972 14.2207 14.2207 k = 0.2832-0.4512-0.8743 ( 2958 PWs) bands (ev): -42.0382 -42.0382 -40.2549 -40.2549 -19.4021 -19.4021 -18.9449 -18.9449 -18.7904 -18.7904 -14.1548 -14.1548 -13.9938 -13.9938 -13.9351 -13.9351 -8.5406 -8.5406 -8.4164 -8.4164 4.2588 4.2588 4.6726 4.6726 5.0513 5.0513 5.4849 5.4849 5.6579 5.6579 5.8704 5.8704 11.9608 11.9608 12.1989 12.1989 12.7624 12.7624 14.2391 14.2391 k = 0.2882-0.4591-0.8896 ( 2958 PWs) bands (ev): -42.0381 -42.0381 -40.2543 -40.2543 -19.4022 -19.4022 -18.9477 -18.9477 -18.7919 -18.7919 -14.1549 -14.1549 -13.9947 -13.9947 -13.9352 -13.9352 -8.5355 -8.5355 -8.4165 -8.4165 4.2736 4.2736 4.6668 4.6668 5.0154 5.0154 5.5080 5.5080 5.6633 5.6633 5.8506 5.8506 11.9714 11.9714 12.2210 12.2210 12.7262 12.7262 14.2572 14.2572 k = 0.2931-0.4670-0.9050 ( 2950 PWs) bands (ev): -42.0380 -42.0380 -40.2538 -40.2538 -19.4022 -19.4022 -18.9503 -18.9503 -18.7933 -18.7933 -14.1548 -14.1548 -13.9954 -13.9954 -13.9353 -13.9353 -8.5299 -8.5299 -8.4177 -8.4177 4.2909 4.2909 4.6609 4.6609 4.9791 4.9791 5.5293 5.5293 5.6661 5.6661 5.8359 5.8359 11.9823 11.9823 12.2433 12.2433 12.6889 12.6889 14.2750 14.2750 k = 0.2981-0.4749-0.9203 ( 2958 PWs) bands (ev): -42.0379 -42.0379 -40.2534 -40.2534 -19.4020 -19.4020 -18.9528 -18.9528 -18.7946 -18.7946 -14.1549 -14.1549 -13.9962 -13.9962 -13.9355 -13.9355 -8.5237 -8.5237 -8.4201 -8.4201 4.3101 4.3101 4.6550 4.6550 4.9427 4.9427 5.5489 5.5489 5.6642 5.6642 5.8280 5.8280 11.9930 11.9930 12.2655 12.2655 12.6506 12.6506 14.2926 14.2926 k = 0.3031-0.4828-0.9357 ( 2952 PWs) bands (ev): -42.0378 -42.0378 -40.2530 -40.2530 -19.4018 -19.4018 -18.9550 -18.9550 -18.7957 -18.7957 -14.1547 -14.1547 -13.9968 -13.9968 -13.9355 -13.9355 -8.5170 -8.5170 -8.4235 -8.4235 4.3310 4.3310 4.6491 4.6491 4.9067 4.9067 5.5668 5.5668 5.6568 5.6568 5.8280 5.8280 12.0031 12.0031 12.2877 12.2877 12.6121 12.6121 14.3098 14.3098 k = 0.3080-0.4908-0.9510 ( 2954 PWs) bands (ev): -42.0377 -42.0377 -40.2526 -40.2526 -19.4014 -19.4014 -18.9570 -18.9570 -18.7966 -18.7966 -14.1546 -14.1546 -13.9973 -13.9973 -13.9356 -13.9356 -8.5098 -8.5098 -8.4280 -8.4280 4.3527 4.3527 4.6435 4.6435 4.8719 4.8719 5.5829 5.5829 5.6442 5.6442 5.8350 5.8350 12.0120 12.0120 12.3098 12.3098 12.5739 12.5739 14.3268 14.3268 k = 0.3130-0.4987-0.9663 ( 2964 PWs) bands (ev): -42.0377 -42.0377 -40.2524 -40.2524 -19.4011 -19.4011 -18.9586 -18.9586 -18.7975 -18.7975 -14.1546 -14.1546 -13.9979 -13.9979 -13.9357 -13.9357 -8.5022 -8.5022 -8.4334 -8.4334 4.3740 4.3740 4.6382 4.6382 4.8394 4.8394 5.5974 5.5974 5.6279 5.6279 5.8475 5.8475 12.0189 12.0189 12.3319 12.3319 12.5371 12.5371 14.3433 14.3433 k = 0.3180-0.5066-0.9817 ( 2964 PWs) bands (ev): -42.0377 -42.0377 -40.2522 -40.2522 -19.4007 -19.4007 -18.9599 -18.9599 -18.7981 -18.7981 -14.1544 -14.1544 -13.9982 -13.9982 -13.9358 -13.9358 -8.4942 -8.4942 -8.4398 -8.4398 4.3936 4.3936 4.6333 4.6333 4.8108 4.8108 5.6078 5.6078 5.6118 5.6118 5.8639 5.8639 12.0227 12.0227 12.3539 12.3539 12.5028 12.5028 14.3595 14.3595 k = 0.3229-0.5145-0.9970 ( 2964 PWs) bands (ev): -42.0377 -42.0377 -40.2521 -40.2521 -19.4004 -19.4004 -18.9609 -18.9609 -18.7986 -18.7986 -14.1543 -14.1543 -13.9985 -13.9985 -13.9358 -13.9358 -8.4859 -8.4859 -8.4469 -8.4469 4.4091 4.4091 4.6290 4.6290 4.7884 4.7884 5.5894 5.5894 5.6218 5.6218 5.8828 5.8828 12.0222 12.0222 12.3757 12.3757 12.4726 12.4726 14.3753 14.3753 k = 0.3279-0.5224-1.0124 ( 2962 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4002 -19.4002 -18.9615 -18.9615 -18.7989 -18.7989 -14.1542 -14.1542 -13.9986 -13.9986 -13.9358 -13.9358 -8.4777 -8.4777 -8.4545 -8.4545 4.4175 4.4175 4.6254 4.6254 4.7752 4.7752 5.5692 5.5692 5.6315 5.6315 5.9033 5.9033 12.0157 12.0157 12.3970 12.3970 12.4484 12.4484 14.3905 14.3905 k = 0.3329-0.5303-1.0277 ( 2966 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4002 -19.4002 -18.9617 -18.9617 -18.7990 -18.7990 -14.1541 -14.1541 -13.9986 -13.9986 -13.9357 -13.9357 -8.4720 -8.4720 -8.4601 -8.4601 4.4162 4.4162 4.6224 4.6224 4.7736 4.7736 5.5490 5.5490 5.6398 5.6398 5.9249 5.9249 12.0019 12.0019 12.4145 12.4145 12.4349 12.4349 14.4051 14.4051 k = 0.3378-0.5382-1.0430 ( 2964 PWs) bands (ev): -42.0376 -42.0376 -40.2520 -40.2520 -19.4003 -19.4003 -18.9616 -18.9616 -18.7990 -18.7990 -14.1541 -14.1541 -13.9985 -13.9985 -13.9357 -13.9357 -8.4767 -8.4767 -8.4556 -8.4556 4.4042 4.4042 4.6201 4.6201 4.7849 4.7849 5.5291 5.5291 5.6466 5.6466 5.9470 5.9470 11.9801 11.9801 12.4149 12.4149 12.4461 12.4461 14.4192 14.4192 k = 0.3428-0.5462-1.0584 ( 2966 PWs) bands (ev): -42.0377 -42.0377 -40.2520 -40.2520 -19.4005 -19.4005 -18.9611 -18.9611 -18.7987 -18.7987 -14.1541 -14.1541 -13.9983 -13.9983 -13.9356 -13.9356 -8.4863 -8.4863 -8.4467 -8.4467 4.3827 4.3827 4.6187 4.6187 4.8078 4.8078 5.5096 5.5096 5.6521 5.6521 5.9693 5.9693 11.9505 11.9505 12.4136 12.4136 12.4668 12.4668 14.4324 14.4324 k = 0.6572-0.4022-0.9707 ( 2966 PWs) bands (ev): -42.0377 -42.0377 -40.2520 -40.2520 -19.4005 -19.4005 -18.9611 -18.9611 -18.7987 -18.7987 -14.1541 -14.1541 -13.9983 -13.9983 -13.9356 -13.9356 -8.4863 -8.4863 -8.4467 -8.4467 4.3827 4.3827 4.6187 4.6187 4.8078 4.8078 5.5096 5.5096 5.6521 5.6521 5.9693 5.9693 11.9505 11.9505 12.4136 12.4136 12.4668 12.4668 14.4324 14.4324 k = 0.6523-0.3852-0.9707 ( 2958 PWs) bands (ev): -42.0377 -42.0377 -40.2521 -40.2521 -19.4010 -19.4010 -18.9603 -18.9603 -18.7982 -18.7982 -14.1540 -14.1540 -13.9980 -13.9980 -13.9354 -13.9354 -8.4970 -8.4970 -8.4371 -8.4371 4.3541 4.3541 4.6180 4.6180 4.8397 4.8397 5.4910 5.4910 5.6562 5.6562 5.9914 5.9914 11.9144 11.9144 12.4179 12.4179 12.4883 12.4883 14.4372 14.4372 k = 0.6474-0.3681-0.9707 ( 2956 PWs) bands (ev): -42.0377 -42.0377 -40.2523 -40.2523 -19.4017 -19.4017 -18.9591 -18.9591 -18.7974 -18.7974 -14.1541 -14.1541 -13.9976 -13.9976 -13.9352 -13.9352 -8.5084 -8.5084 -8.4271 -8.4271 4.3206 4.3206 4.6182 4.6182 4.8785 4.8785 5.4730 5.4730 5.6592 5.6592 6.0131 6.0131 11.8728 11.8728 12.4274 12.4274 12.5101 12.5101 14.4285 14.4285 k = 0.6425-0.3510-0.9707 ( 2954 PWs) bands (ev): -42.0377 -42.0377 -40.2525 -40.2525 -19.4026 -19.4026 -18.9577 -18.9577 -18.7964 -18.7964 -14.1542 -14.1542 -13.9971 -13.9971 -13.9350 -13.9350 -8.5203 -8.5203 -8.4170 -8.4170 4.2838 4.2838 4.6191 4.6191 4.9225 4.9225 5.4559 5.4559 5.6611 5.6611 6.0342 6.0342 11.8270 11.8270 12.4411 12.4411 12.5321 12.5321 14.4204 14.4204 k = 0.6376-0.3340-0.9707 ( 2956 PWs) bands (ev): -42.0378 -42.0378 -40.2527 -40.2527 -19.4037 -19.4037 -18.9561 -18.9561 -18.7951 -18.7951 -14.1544 -14.1544 -13.9965 -13.9965 -13.9348 -13.9348 -8.5326 -8.5326 -8.4067 -8.4067 4.2449 4.2449 4.6209 4.6209 4.9705 4.9705 5.4396 5.4396 5.6620 5.6620 6.0547 6.0547 11.7779 11.7779 12.4579 12.4579 12.5543 12.5543 14.4132 14.4132 k = 0.6326-0.3169-0.9707 ( 2954 PWs) bands (ev): -42.0378 -42.0378 -40.2530 -40.2530 -19.4051 -19.4051 -18.9542 -18.9542 -18.7935 -18.7935 -14.1546 -14.1546 -13.9959 -13.9959 -13.9345 -13.9345 -8.5454 -8.5454 -8.3963 -8.3963 4.2047 4.2047 4.6234 4.6234 5.0216 5.0216 5.4241 5.4241 5.6620 5.6620 6.0743 6.0743 11.7265 11.7265 12.4770 12.4770 12.5766 12.5766 14.4071 14.4071 k = 0.6277-0.2998-0.9707 ( 2948 PWs) bands (ev): -42.0378 -42.0378 -40.2532 -40.2532 -19.4066 -19.4066 -18.9522 -18.9522 -18.7916 -18.7916 -14.1548 -14.1548 -13.9951 -13.9951 -13.9341 -13.9341 -8.5584 -8.5584 -8.3859 -8.3859 4.1638 4.1638 4.6266 4.6266 5.0751 5.0751 5.4097 5.4097 5.6611 5.6611 6.0929 6.0929 11.6734 11.6734 12.4980 12.4980 12.5993 12.5993 14.4022 14.4022 k = 0.6228-0.2828-0.9707 ( 2944 PWs) bands (ev): -42.0379 -42.0379 -40.2535 -40.2535 -19.4084 -19.4084 -18.9501 -18.9501 -18.7893 -18.7893 -14.1551 -14.1551 -13.9944 -13.9944 -13.9336 -13.9336 -8.5716 -8.5716 -8.3755 -8.3755 4.1227 4.1227 4.6305 4.6305 5.1305 5.1305 5.3962 5.3962 5.6596 5.6596 6.1104 6.1104 11.6192 11.6192 12.5202 12.5202 12.6222 12.6222 14.3986 14.3986 k = 0.6179-0.2657-0.9707 ( 2936 PWs) bands (ev): -42.0379 -42.0379 -40.2539 -40.2539 -19.4104 -19.4104 -18.9479 -18.9479 -18.7867 -18.7867 -14.1555 -14.1555 -13.9935 -13.9935 -13.9331 -13.9331 -8.5850 -8.5850 -8.3651 -8.3651 4.0817 4.0817 4.6351 4.6351 5.1874 5.1874 5.3838 5.3838 5.6574 5.6574 6.1266 6.1266 11.5643 11.5643 12.5433 12.5433 12.6455 12.6455 14.3964 14.3964 k = 0.6130-0.2486-0.9707 ( 2938 PWs) bands (ev): -42.0380 -42.0380 -40.2542 -40.2542 -19.4125 -19.4125 -18.9458 -18.9458 -18.7838 -18.7838 -14.1559 -14.1559 -13.9927 -13.9927 -13.9326 -13.9326 -8.5985 -8.5985 -8.3548 -8.3548 4.0410 4.0410 4.6403 4.6403 5.2452 5.2452 5.3724 5.3724 5.6547 5.6547 6.1416 6.1416 11.5090 11.5090 12.5670 12.5670 12.6690 12.6690 14.3956 14.3956 k = 0.6081-0.2316-0.9707 ( 2936 PWs) bands (ev): -42.0381 -42.0381 -40.2546 -40.2546 -19.4148 -19.4148 -18.9437 -18.9437 -18.7805 -18.7805 -14.1563 -14.1563 -13.9919 -13.9919 -13.9320 -13.9320 -8.6120 -8.6120 -8.3446 -8.3446 4.0009 4.0009 4.6460 4.6460 5.3036 5.3036 5.3622 5.3622 5.6516 5.6516 6.1551 6.1551 11.4535 11.4535 12.5909 12.5909 12.6929 12.6929 14.3963 14.3963 k = 0.6032-0.2145-0.9707 ( 2936 PWs) bands (ev): -42.0382 -42.0382 -40.2550 -40.2550 -19.4171 -19.4171 -18.9416 -18.9416 -18.7769 -18.7769 -14.1568 -14.1568 -13.9911 -13.9911 -13.9313 -13.9313 -8.6255 -8.6255 -8.3345 -8.3345 3.9615 3.9615 4.6521 4.6521 5.3520 5.3520 5.3633 5.3633 5.6485 5.6485 6.1672 6.1672 11.3982 11.3982 12.6150 12.6150 12.7171 12.7171 14.3985 14.3985 k = 0.5983-0.1974-0.9707 ( 2932 PWs) bands (ev): -42.0382 -42.0382 -40.2553 -40.2553 -19.4196 -19.4196 -18.9397 -18.9397 -18.7730 -18.7730 -14.1573 -14.1573 -13.9903 -13.9903 -13.9306 -13.9306 -8.6388 -8.6388 -8.3247 -8.3247 3.9231 3.9231 4.6586 4.6586 5.3446 5.3446 5.4209 5.4209 5.6456 5.6456 6.1778 6.1778 11.3434 11.3434 12.6390 12.6390 12.7417 12.7417 14.4024 14.4024 k = 0.5933-0.1804-0.9707 ( 2934 PWs) bands (ev): -42.0383 -42.0383 -40.2557 -40.2557 -19.4222 -19.4222 -18.9379 -18.9379 -18.7689 -18.7689 -14.1579 -14.1579 -13.9895 -13.9895 -13.9298 -13.9298 -8.6519 -8.6519 -8.3151 -8.3151 3.8857 3.8857 4.6654 4.6654 5.3377 5.3377 5.4778 5.4778 5.6438 5.6438 6.1868 6.1868 11.2891 11.2891 12.6627 12.6627 12.7665 12.7665 14.4077 14.4077 k = 0.5884-0.1633-0.9707 ( 2938 PWs) bands (ev): -42.0384 -42.0384 -40.2561 -40.2561 -19.4248 -19.4248 -18.9363 -18.9363 -18.7645 -18.7645 -14.1585 -14.1585 -13.9888 -13.9888 -13.9290 -13.9290 -8.6648 -8.6648 -8.3057 -8.3057 3.8495 3.8495 4.6723 4.6723 5.3320 5.3320 5.5308 5.5308 5.6452 5.6452 6.1944 6.1944 11.2357 11.2357 12.6860 12.6860 12.7917 12.7917 14.4147 14.4147 k = 0.5835-0.1462-0.9707 ( 2938 PWs) bands (ev): -42.0384 -42.0384 -40.2565 -40.2565 -19.4274 -19.4274 -18.9348 -18.9348 -18.7599 -18.7599 -14.1590 -14.1590 -13.9881 -13.9881 -13.9281 -13.9281 -8.6774 -8.6774 -8.2966 -8.2966 3.8147 3.8147 4.6793 4.6793 5.3273 5.3273 5.5730 5.5730 5.6567 5.6567 6.2005 6.2005 11.1834 11.1834 12.7088 12.7088 12.8170 12.8170 14.4232 14.4232 k = 0.5786-0.1292-0.9707 ( 2938 PWs) bands (ev): -42.0385 -42.0385 -40.2569 -40.2569 -19.4300 -19.4300 -18.9335 -18.9335 -18.7552 -18.7552 -14.1596 -14.1596 -13.9874 -13.9874 -13.9272 -13.9272 -8.6897 -8.6897 -8.2879 -8.2879 3.7813 3.7813 4.6863 4.6863 5.3238 5.3238 5.5934 5.5934 5.6889 5.6889 6.2053 6.2053 11.1324 11.1324 12.7309 12.7309 12.8426 12.8426 14.4334 14.4334 k = 0.5737-0.1121-0.9707 ( 2938 PWs) bands (ev): -42.0386 -42.0386 -40.2573 -40.2573 -19.4326 -19.4326 -18.9323 -18.9323 -18.7504 -18.7504 -14.1602 -14.1602 -13.9868 -13.9868 -13.9263 -13.9263 -8.7015 -8.7015 -8.2795 -8.2795 3.7494 3.7494 4.6932 4.6932 5.3215 5.3215 5.5979 5.5979 5.7358 5.7358 6.2086 6.2086 11.0829 11.0829 12.7522 12.7522 12.8681 12.8681 14.4451 14.4451 k = 0.5688-0.0950-0.9707 ( 2932 PWs) bands (ev): -42.0386 -42.0386 -40.2576 -40.2576 -19.4352 -19.4352 -18.9313 -18.9313 -18.7456 -18.7456 -14.1607 -14.1607 -13.9862 -13.9862 -13.9253 -13.9253 -8.7128 -8.7128 -8.2715 -8.2715 3.7191 3.7191 4.7000 4.7000 5.3202 5.3202 5.5968 5.5968 5.7868 5.7868 6.2107 6.2107 11.0350 11.0350 12.7726 12.7726 12.8935 12.8935 14.4583 14.4583 k = 0.5639-0.0780-0.9707 ( 2938 PWs) bands (ev): -42.0387 -42.0387 -40.2580 -40.2580 -19.4376 -19.4376 -18.9305 -18.9305 -18.7408 -18.7408 -14.1613 -14.1613 -13.9857 -13.9857 -13.9244 -13.9244 -8.7236 -8.7236 -8.2640 -8.2640 3.6905 3.6905 4.7064 4.7064 5.3198 5.3198 5.5938 5.5938 5.8379 5.8379 6.2116 6.2116 10.9890 10.9890 12.7920 12.7920 12.9186 12.9186 14.4729 14.4729 k = 0.5590-0.0609-0.9707 ( 2940 PWs) bands (ev): -42.0388 -42.0388 -40.2583 -40.2583 -19.4400 -19.4400 -18.9297 -18.9297 -18.7361 -18.7361 -14.1618 -14.1618 -13.9853 -13.9853 -13.9235 -13.9235 -8.7338 -8.7338 -8.2569 -8.2569 3.6637 3.6637 4.7126 4.7126 5.3204 5.3204 5.5900 5.5900 5.8877 5.8877 6.2114 6.2114 10.9452 10.9452 12.8103 12.8103 12.9433 12.9433 14.4889 14.4889 k = 0.5540-0.0438-0.9707 ( 2940 PWs) bands (ev): -42.0388 -42.0388 -40.2586 -40.2586 -19.4422 -19.4422 -18.9291 -18.9291 -18.7316 -18.7316 -14.1624 -14.1624 -13.9849 -13.9849 -13.9226 -13.9226 -8.7434 -8.7434 -8.2502 -8.2502 3.6388 3.6388 4.7183 4.7183 5.3219 5.3219 5.5860 5.5860 5.9354 5.9354 6.2104 6.2104 10.9038 10.9038 12.8274 12.8274 12.9673 12.9673 14.5028 14.5059 k = 0.5491-0.0268-0.9707 ( 2938 PWs) bands (ev): -42.0389 -42.0389 -40.2589 -40.2589 -19.4443 -19.4443 -18.9286 -18.9286 -18.7273 -18.7273 -14.1628 -14.1628 -13.9845 -13.9845 -13.9217 -13.9217 -8.7523 -8.7523 -8.2441 -8.2441 3.6158 3.6158 4.7237 4.7237 5.3240 5.3240 5.5820 5.5820 5.9804 5.9804 6.2087 6.2087 10.8650 10.8650 12.8433 12.8433 12.9905 12.9905 14.4985 14.4985 k = 0.5442-0.0097-0.9707 ( 2940 PWs) bands (ev): -42.0389 -42.0389 -40.2592 -40.2592 -19.4463 -19.4463 -18.9282 -18.9282 -18.7232 -18.7232 -14.1633 -14.1633 -13.9842 -13.9842 -13.9208 -13.9208 -8.7604 -8.7604 -8.2384 -8.2384 3.5948 3.5948 4.7285 4.7285 5.3266 5.3266 5.5782 5.5782 6.0224 6.0224 6.2065 6.2065 10.8289 10.8289 12.8578 12.8578 13.0124 13.0124 14.4945 14.4945 k = 0.5393 0.0074-0.9707 ( 2944 PWs) bands (ev): -42.0390 -42.0390 -40.2595 -40.2595 -19.4481 -19.4481 -18.9278 -18.9278 -18.7194 -18.7194 -14.1637 -14.1637 -13.9839 -13.9839 -13.9201 -13.9201 -8.7679 -8.7679 -8.2334 -8.2334 3.5759 3.5759 4.7329 4.7329 5.3295 5.3295 5.5745 5.5745 6.0608 6.0608 6.2040 6.2040 10.7959 10.7959 12.8710 12.8710 13.0329 13.0329 14.4906 14.4906 k = 0.5344 0.0244-0.9707 ( 2946 PWs) bands (ev): -42.0390 -42.0390 -40.2597 -40.2597 -19.4497 -19.4497 -18.9276 -18.9276 -18.7159 -18.7159 -14.1641 -14.1641 -13.9837 -13.9837 -13.9194 -13.9194 -8.7745 -8.7745 -8.2288 -8.2288 3.5591 3.5591 4.7367 4.7367 5.3328 5.3328 5.5712 5.5712 6.0953 6.0953 6.2015 6.2015 10.7661 10.7661 12.8828 12.8828 13.0518 13.0518 14.4868 14.4868 k = 0.5295 0.0415-0.9707 ( 2954 PWs) bands (ev): -42.0391 -42.0391 -40.2599 -40.2599 -19.4512 -19.4512 -18.9274 -18.9274 -18.7129 -18.7129 -14.1645 -14.1645 -13.9835 -13.9835 -13.9188 -13.9188 -8.7803 -8.7803 -8.2249 -8.2249 3.5444 3.5444 4.7400 4.7400 5.3360 5.3360 5.5682 5.5682 6.1252 6.1252 6.1995 6.1995 10.7398 10.7398 12.8930 12.8930 13.0688 13.0688 14.4834 14.4834 k = 0.5246 0.0586-0.9707 ( 2958 PWs) bands (ev): -42.0391 -42.0391 -40.2601 -40.2601 -19.4524 -19.4524 -18.9272 -18.9272 -18.7102 -18.7102 -14.1648 -14.1648 -13.9834 -13.9834 -13.9182 -13.9182 -8.7853 -8.7853 -8.2215 -8.2215 3.5320 3.5320 4.7428 4.7428 5.3390 5.3390 5.5657 5.5657 6.1497 6.1497 6.1988 6.1988 10.7172 10.7172 12.9017 12.9017 13.0836 13.0836 14.4803 14.4803 k = 0.5197 0.0756-0.9707 ( 2952 PWs) bands (ev): -42.0392 -42.0392 -40.2602 -40.2602 -19.4534 -19.4534 -18.9271 -18.9271 -18.7080 -18.7080 -14.1650 -14.1650 -13.9832 -13.9832 -13.9177 -13.9177 -8.7894 -8.7894 -8.2187 -8.2187 3.5217 3.5217 4.7451 4.7451 5.3419 5.3419 5.5635 5.5635 6.1667 6.1667 6.2013 6.2013 10.6984 10.6984 12.9090 12.9090 13.0961 13.0961 14.4777 14.4777 k = 0.5147 0.0927-0.9707 ( 2948 PWs) bands (ev): -42.0392 -42.0392 -40.2603 -40.2603 -19.4542 -19.4542 -18.9270 -18.9270 -18.7063 -18.7063 -14.1652 -14.1652 -13.9831 -13.9831 -13.9173 -13.9173 -8.7926 -8.7926 -8.2165 -8.2165 3.5137 3.5137 4.7468 4.7468 5.3443 5.3443 5.5619 5.5619 6.1749 6.1749 6.2085 6.2085 10.6837 10.6837 12.9146 12.9146 13.1060 13.1060 14.4756 14.4756 k = 0.5098 0.1098-0.9707 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2604 -40.2604 -19.4547 -19.4547 -18.9269 -18.9269 -18.7050 -18.7050 -14.1653 -14.1653 -13.9830 -13.9830 -13.9171 -13.9171 -8.7949 -8.7949 -8.2150 -8.2150 3.5080 3.5080 4.7481 4.7481 5.3461 5.3461 5.5607 5.5607 6.1773 6.1773 6.2170 6.2170 10.6731 10.6731 12.9187 12.9187 13.1132 13.1132 14.4741 14.4741 k = 0.5049 0.1268-0.9707 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4551 -19.4551 -18.9269 -18.9269 -18.7042 -18.7042 -14.1654 -14.1654 -13.9830 -13.9830 -13.9169 -13.9169 -8.7963 -8.7963 -8.2140 -8.2140 3.5046 3.5046 4.7489 4.7489 5.3472 5.3472 5.5599 5.5599 6.1778 6.1778 6.2231 6.2231 10.6666 10.6666 12.9211 12.9211 13.1176 13.1176 14.4732 14.4732 k = 0.5000 0.1439-0.9707 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4552 -19.4552 -18.9269 -18.9269 -18.7040 -18.7040 -14.1654 -14.1654 -13.9829 -13.9829 -13.9168 -13.9168 -8.7967 -8.7967 -8.2137 -8.2137 3.5034 3.5034 4.7491 4.7491 5.3476 5.3476 5.5596 5.5596 6.1778 6.1778 6.2252 6.2252 10.6645 10.6645 12.9219 12.9219 13.1191 13.1191 14.4729 14.4729 k = 0.5000 0.1439-0.9707 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4552 -19.4552 -18.9269 -18.9269 -18.7040 -18.7040 -14.1654 -14.1654 -13.9829 -13.9829 -13.9168 -13.9168 -8.7967 -8.7967 -8.2137 -8.2137 3.5034 3.5034 4.7491 4.7491 5.3476 5.3476 5.5596 5.5596 6.1778 6.1778 6.2252 6.2252 10.6645 10.6645 12.9219 12.9219 13.1191 13.1191 14.4729 14.4729 k = 0.5143 0.1480-0.9627 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4552 -19.4552 -18.9268 -18.9268 -18.7040 -18.7040 -14.1654 -14.1654 -13.9830 -13.9830 -13.9168 -13.9168 -8.7966 -8.7966 -8.2138 -8.2138 3.5041 3.5041 4.7488 4.7488 5.3475 5.3475 5.5594 5.5594 6.1776 6.1776 6.2253 6.2253 10.6651 10.6651 12.9216 12.9216 13.1190 13.1190 14.4709 14.4709 k = 0.5286 0.1521-0.9548 ( 2947 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4551 -19.4551 -18.9268 -18.9268 -18.7040 -18.7040 -14.1654 -14.1654 -13.9830 -13.9830 -13.9169 -13.9169 -8.7964 -8.7964 -8.2142 -8.2142 3.5060 3.5060 4.7478 4.7478 5.3474 5.3474 5.5586 5.5586 6.1767 6.1767 6.2253 6.2253 10.6669 10.6669 12.9207 12.9207 13.1187 13.1187 14.4650 14.4650 k = 0.5429 0.1563-0.9468 ( 2947 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4549 -19.4549 -18.9268 -18.9268 -18.7039 -18.7039 -14.1655 -14.1655 -13.9830 -13.9830 -13.9169 -13.9169 -8.7960 -8.7960 -8.2147 -8.2147 3.5091 3.5091 4.7463 4.7463 5.3473 5.3473 5.5573 5.5573 6.1753 6.1753 6.2254 6.2254 10.6700 10.6700 12.9192 12.9192 13.1183 13.1183 14.4554 14.4554 k = 0.5572 0.1604-0.9388 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4547 -19.4547 -18.9267 -18.9267 -18.7039 -18.7039 -14.1655 -14.1655 -13.9830 -13.9830 -13.9169 -13.9169 -8.7954 -8.7954 -8.2155 -8.2155 3.5136 3.5136 4.7442 4.7442 5.3470 5.3470 5.5553 5.5553 6.1733 6.1733 6.2256 6.2256 10.6742 10.6742 12.9171 12.9171 13.1177 13.1177 14.4426 14.4426 k = 0.5715 0.1645-0.9308 ( 2945 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4545 -19.4545 -18.9267 -18.9267 -18.7039 -18.7039 -14.1655 -14.1655 -13.9831 -13.9831 -13.9169 -13.9169 -8.7946 -8.7946 -8.2165 -8.2165 3.5192 3.5192 4.7415 4.7415 5.3467 5.3467 5.5528 5.5528 6.1708 6.1708 6.2259 6.2259 10.6795 10.6795 12.9144 12.9144 13.1170 13.1170 14.4270 14.4270 k = 0.5857 0.1686-0.9229 ( 2941 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4542 -19.4542 -18.9266 -18.9266 -18.7039 -18.7039 -14.1655 -14.1655 -13.9831 -13.9831 -13.9170 -13.9170 -8.7937 -8.7937 -8.2177 -8.2177 3.5261 3.5261 4.7383 4.7383 5.3464 5.3464 5.5498 5.5498 6.1676 6.1676 6.2263 6.2263 10.6860 10.6860 12.9113 12.9113 13.1161 13.1161 14.4091 14.4091 k = 0.6000 0.1727-0.9149 ( 2940 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4538 -19.4538 -18.9265 -18.9265 -18.7038 -18.7038 -14.1656 -14.1656 -13.9831 -13.9831 -13.9170 -13.9170 -8.7926 -8.7926 -8.2191 -8.2191 3.5341 3.5341 4.7346 4.7346 5.3459 5.3459 5.5461 5.5461 6.1640 6.1640 6.2268 6.2268 10.6937 10.6937 12.9076 12.9076 13.1151 13.1151 14.3894 14.3895 k = 0.6143 0.1768-0.9069 ( 2938 PWs) bands (ev): -42.0392 -42.0392 -40.2608 -40.2608 -19.4534 -19.4534 -18.9264 -18.9264 -18.7038 -18.7038 -14.1656 -14.1656 -13.9832 -13.9832 -13.9171 -13.9171 -8.7914 -8.7914 -8.2207 -8.2207 3.5433 3.5433 4.7304 4.7304 5.3454 5.3454 5.5418 5.5418 6.1598 6.1598 6.2274 6.2274 10.7023 10.7023 12.9036 12.9036 13.1139 13.1139 14.3684 14.3684 k = 0.6286 0.1809-0.8990 ( 2934 PWs) bands (ev): -42.0392 -42.0392 -40.2609 -40.2609 -19.4529 -19.4529 -18.9263 -18.9263 -18.7038 -18.7038 -14.1656 -14.1656 -13.9832 -13.9832 -13.9171 -13.9171 -8.7900 -8.7900 -8.2225 -8.2225 3.5537 3.5537 4.7258 4.7258 5.3449 5.3449 5.5368 5.5368 6.1551 6.1551 6.2282 6.2282 10.7118 10.7118 12.8991 12.8991 13.1125 13.1125 14.3465 14.3465 k = 0.6429 0.1850-0.8910 ( 2933 PWs) bands (ev): -42.0392 -42.0392 -40.2609 -40.2609 -19.4524 -19.4524 -18.9261 -18.9261 -18.7037 -18.7037 -14.1656 -14.1656 -13.9833 -13.9833 -13.9172 -13.9172 -8.7886 -8.7886 -8.2245 -8.2245 3.5651 3.5651 4.7209 4.7209 5.3443 5.3443 5.5313 5.5313 6.1500 6.1500 6.2291 6.2291 10.7223 10.7223 12.8944 12.8944 13.1110 13.1110 14.3240 14.3240 k = 0.6572 0.1892-0.8830 ( 2935 PWs) bands (ev): -42.0393 -42.0393 -40.2610 -40.2610 -19.4518 -19.4518 -18.9260 -18.9260 -18.7037 -18.7037 -14.1656 -14.1656 -13.9834 -13.9834 -13.9173 -13.9173 -8.7870 -8.7870 -8.2267 -8.2267 3.5776 3.5776 4.7156 4.7156 5.3436 5.3436 5.5250 5.5250 6.1444 6.1444 6.2301 6.2301 10.7336 10.7336 12.8895 12.8895 13.1093 13.1093 14.3013 14.3013 k = 0.6572 0.1892-0.8830 ( 2935 PWs) bands (ev): -42.0393 -42.0393 -40.2610 -40.2610 -19.4518 -19.4518 -18.9260 -18.9260 -18.7037 -18.7037 -14.1656 -14.1656 -13.9834 -13.9834 -13.9173 -13.9173 -8.7870 -8.7870 -8.2267 -8.2267 3.5776 3.5776 4.7156 4.7156 5.3436 5.3436 5.5250 5.5250 6.1444 6.1444 6.2301 6.2301 10.7336 10.7336 12.8895 12.8895 13.1093 13.1093 14.3013 14.3013 k = 0.6543 0.1883-0.8654 ( 2940 PWs) bands (ev): -42.0393 -42.0393 -40.2614 -40.2614 -19.4496 -19.4496 -18.9256 -18.9256 -18.7036 -18.7036 -14.1650 -14.1650 -13.9832 -13.9832 -13.9174 -13.9174 -8.7864 -8.7864 -8.2303 -8.2303 3.5864 3.5864 4.6988 4.6988 5.3450 5.3450 5.5358 5.5358 6.1548 6.1548 6.2307 6.2307 10.7346 10.7346 12.8782 12.8782 13.1021 13.1021 14.2693 14.2693 k = 0.6515 0.1875-0.8477 ( 2936 PWs) bands (ev): -42.0394 -42.0394 -40.2619 -40.2619 -19.4469 -19.4469 -18.9251 -18.9251 -18.7034 -18.7034 -14.1642 -14.1642 -13.9830 -13.9830 -13.9175 -13.9175 -8.7854 -8.7854 -8.2352 -8.2352 3.5980 3.5980 4.6813 4.6813 5.3466 5.3466 5.5459 5.5459 6.1659 6.1659 6.2316 6.2316 10.7372 10.7372 12.8653 12.8653 13.0931 13.0931 14.2340 14.2340 k = 0.6486 0.1867-0.8301 ( 2934 PWs) bands (ev): -42.0395 -42.0395 -40.2625 -40.2625 -19.4437 -19.4437 -18.9245 -18.9245 -18.7033 -18.7033 -14.1633 -14.1633 -13.9827 -13.9827 -13.9176 -13.9176 -8.7841 -8.7841 -8.2412 -8.2412 3.6123 3.6123 4.6634 4.6634 5.3486 5.3486 5.5547 5.5547 6.1775 6.1775 6.2328 6.2328 10.7414 10.7414 12.8509 12.8509 13.0824 13.0824 14.1956 14.1956 k = 0.6458 0.1859-0.8124 ( 2937 PWs) bands (ev): -42.0397 -42.0397 -40.2631 -40.2631 -19.4400 -19.4400 -18.9238 -18.9238 -18.7030 -18.7030 -14.1622 -14.1622 -13.9824 -13.9824 -13.9177 -13.9177 -8.7823 -8.7823 -8.2485 -8.2485 3.6291 3.6291 4.6455 4.6455 5.3508 5.3508 5.5622 5.5622 6.1895 6.1895 6.2348 6.2348 10.7472 10.7472 12.8351 12.8351 13.0698 13.0698 14.1543 14.1543 k = 0.6429 0.1850-0.7948 ( 2938 PWs) bands (ev): -42.0398 -42.0398 -40.2639 -40.2639 -19.4357 -19.4357 -18.9229 -18.9229 -18.7028 -18.7028 -14.1609 -14.1609 -13.9820 -13.9820 -13.9179 -13.9179 -8.7803 -8.7803 -8.2569 -8.2569 3.6483 3.6483 4.6280 4.6280 5.3533 5.3533 5.5679 5.5679 6.2014 6.2014 6.2379 6.2379 10.7547 10.7547 12.8181 12.8181 13.0555 13.0555 14.1104 14.1104 k = 0.6401 0.1842-0.7771 ( 2940 PWs) bands (ev): -42.0400 -42.0400 -40.2647 -40.2647 -19.4310 -19.4310 -18.9219 -18.9219 -18.7024 -18.7024 -14.1596 -14.1596 -13.9816 -13.9816 -13.9180 -13.9180 -8.7778 -8.7778 -8.2664 -8.2664 3.6698 3.6698 4.6112 4.6112 5.3559 5.3559 5.5718 5.5718 6.2120 6.2120 6.2434 6.2434 10.7638 10.7638 12.7999 12.7999 13.0395 13.0395 14.0641 14.0641 k = 0.6372 0.1834-0.7595 ( 2938 PWs) bands (ev): -42.0401 -42.0401 -40.2657 -40.2657 -19.4259 -19.4259 -18.9208 -18.9208 -18.7020 -18.7020 -14.1581 -14.1581 -13.9811 -13.9811 -13.9182 -13.9182 -8.7752 -8.7752 -8.2769 -8.2769 3.6932 3.6932 4.5953 4.5953 5.3586 5.3586 5.5736 5.5736 6.2201 6.2201 6.2527 6.2527 10.7745 10.7745 12.7808 12.7808 13.0220 13.0220 14.0160 14.0160 k = 0.6343 0.1826-0.7418 ( 2937 PWs) bands (ev): -42.0403 -42.0403 -40.2667 -40.2667 -19.4203 -19.4203 -18.9196 -18.9196 -18.7016 -18.7016 -14.1565 -14.1565 -13.9806 -13.9806 -13.9183 -13.9183 -8.7722 -8.7722 -8.2884 -8.2884 3.7184 3.7184 4.5808 4.5808 5.3614 5.3614 5.5733 5.5733 6.2256 6.2256 6.2658 6.2658 10.7866 10.7866 12.7610 12.7610 13.0028 13.0028 13.9662 13.9662 k = 0.6315 0.1818-0.7242 ( 2943 PWs) bands (ev): -42.0405 -42.0405 -40.2678 -40.2678 -19.4144 -19.4144 -18.9182 -18.9182 -18.7010 -18.7010 -14.1549 -14.1549 -13.9801 -13.9801 -13.9184 -13.9184 -8.7692 -8.7692 -8.3008 -8.3008 3.7451 3.7451 4.5679 4.5679 5.3642 5.3642 5.5708 5.5708 6.2296 6.2296 6.2814 6.2814 10.8003 10.8003 12.7404 12.7404 12.9822 12.9822 13.9152 13.9152 k = 0.6286 0.1809-0.7065 ( 2943 PWs) bands (ev): -42.0407 -42.0407 -40.2690 -40.2690 -19.4082 -19.4082 -18.9166 -18.9166 -18.7004 -18.7004 -14.1531 -14.1531 -13.9795 -13.9795 -13.9186 -13.9186 -8.7659 -8.7659 -8.3140 -8.3140 3.7730 3.7730 4.5569 4.5569 5.3669 5.3669 5.5663 5.5663 6.2331 6.2331 6.2985 6.2985 10.8154 10.8154 12.7195 12.7195 12.9601 12.9601 13.8631 13.8631 k = 0.6258 0.1801-0.6889 ( 2943 PWs) bands (ev): -42.0410 -42.0410 -40.2702 -40.2702 -19.4016 -19.4016 -18.9149 -18.9149 -18.6996 -18.6996 -14.1512 -14.1512 -13.9789 -13.9789 -13.9187 -13.9187 -8.7626 -8.7626 -8.3278 -8.3278 3.8018 3.8018 4.5482 4.5482 5.3695 5.3695 5.5599 5.5599 6.2367 6.2367 6.3163 6.3163 10.8320 10.8320 12.6983 12.6983 12.9367 12.9367 13.8105 13.8105 k = 0.6229 0.1793-0.6712 ( 2942 PWs) bands (ev): -42.0412 -42.0412 -40.2716 -40.2716 -19.3948 -19.3948 -18.9130 -18.9130 -18.6988 -18.6988 -14.1493 -14.1493 -13.9782 -13.9782 -13.9187 -13.9187 -8.7594 -8.7594 -8.3423 -8.3423 3.8312 3.8312 4.5420 4.5420 5.3719 5.3719 5.5519 5.5519 6.2407 6.2407 6.3346 6.3346 10.8499 10.8499 12.6768 12.6768 12.9121 12.9121 13.7577 13.7577 k = 0.6200 0.1785-0.6536 ( 2942 PWs) bands (ev): -42.0415 -42.0415 -40.2729 -40.2729 -19.3878 -19.3878 -18.9109 -18.9109 -18.6978 -18.6978 -14.1473 -14.1473 -13.9774 -13.9774 -13.9188 -13.9188 -8.7562 -8.7562 -8.3573 -8.3573 3.8607 3.8607 4.5386 4.5386 5.3740 5.3740 5.5425 5.5425 6.2451 6.2451 6.3529 6.3529 10.8691 10.8691 12.6554 12.6554 12.8861 12.8861 13.7050 13.7050 k = 0.6172 0.1776-0.6359 ( 2944 PWs) bands (ev): -42.0417 -42.0417 -40.2744 -40.2744 -19.3807 -19.3807 -18.9086 -18.9086 -18.6967 -18.6967 -14.1453 -14.1453 -13.9767 -13.9767 -13.9188 -13.9188 -8.7532 -8.7532 -8.3726 -8.3726 3.8898 3.8898 4.5383 4.5383 5.3758 5.3758 5.5320 5.5320 6.2501 6.2501 6.3710 6.3710 10.8896 10.8896 12.6340 12.6340 12.8591 12.8591 13.6528 13.6528 k = 0.6143 0.1768-0.6183 ( 2940 PWs) bands (ev): -42.0420 -42.0420 -40.2759 -40.2759 -19.3734 -19.3734 -18.9061 -18.9061 -18.6954 -18.6954 -14.1433 -14.1433 -13.9758 -13.9758 -13.9188 -13.9188 -8.7506 -8.7506 -8.3881 -8.3881 3.9184 3.9184 4.5411 4.5411 5.3772 5.3772 5.5209 5.5209 6.2559 6.2559 6.3884 6.3884 10.9113 10.9113 12.6128 12.6128 12.8310 12.8310 13.6014 13.6014 k = 0.6115 0.1760-0.6006 ( 2934 PWs) bands (ev): -42.0423 -42.0423 -40.2775 -40.2775 -19.3660 -19.3660 -18.9033 -18.9033 -18.6940 -18.6940 -14.1412 -14.1412 -13.9749 -13.9749 -13.9187 -13.9187 -8.7484 -8.7484 -8.4036 -8.4036 3.9459 3.9459 4.5472 4.5472 5.3781 5.3781 5.5097 5.5097 6.2624 6.2624 6.4051 6.4051 10.9341 10.9341 12.5920 12.5920 12.8020 12.8020 13.5511 13.5511 k = 0.6086 0.1752-0.5830 ( 2936 PWs) bands (ev): -42.0426 -42.0426 -40.2791 -40.2791 -19.3587 -19.3587 -18.9002 -18.9002 -18.6925 -18.6925 -14.1391 -14.1391 -13.9740 -13.9740 -13.9186 -13.9186 -8.7469 -8.7469 -8.4189 -8.4189 3.9721 3.9721 4.5565 4.5565 5.3784 5.3784 5.4988 5.4988 6.2697 6.2697 6.4205 6.4205 10.9580 10.9580 12.5714 12.5714 12.7719 12.7719 13.5024 13.5024 k = 0.6058 0.1744-0.5653 ( 2936 PWs) bands (ev): -42.0429 -42.0429 -40.2808 -40.2808 -19.3514 -19.3514 -18.8969 -18.8969 -18.6908 -18.6908 -14.1371 -14.1371 -13.9731 -13.9731 -13.9184 -13.9184 -8.7461 -8.7461 -8.4339 -8.4339 3.9969 3.9969 4.5687 4.5687 5.3783 5.3783 5.4888 5.4888 6.2779 6.2779 6.4346 6.4346 10.9829 10.9829 12.5513 12.5513 12.7410 12.7410 13.4554 13.4554 k = 0.6029 0.1735-0.5477 ( 2929 PWs) bands (ev): -42.0432 -42.0432 -40.2825 -40.2825 -19.3441 -19.3441 -18.8933 -18.8933 -18.6889 -18.6889 -14.1351 -14.1351 -13.9720 -13.9720 -13.9182 -13.9182 -8.7464 -8.7464 -8.4482 -8.4482 4.0201 4.0201 4.5833 4.5833 5.3775 5.3775 5.4805 5.4805 6.2871 6.2871 6.4471 6.4471 11.0087 11.0087 12.5318 12.5318 12.7094 12.7094 13.4106 13.4106 k = 0.6000 0.1727-0.5300 ( 2933 PWs) bands (ev): -42.0435 -42.0435 -40.2842 -40.2842 -19.3371 -19.3371 -18.8895 -18.8895 -18.6868 -18.6868 -14.1331 -14.1331 -13.9710 -13.9710 -13.9179 -13.9179 -8.7479 -8.7479 -8.4616 -8.4616 4.0419 4.0419 4.5997 4.5997 5.3760 5.3760 5.4745 5.4745 6.2972 6.2972 6.4577 6.4577 11.0353 11.0353 12.5126 12.5126 12.6770 12.6770 13.3682 13.3682 k = 0.5972 0.1719-0.5124 ( 2932 PWs) bands (ev): -42.0438 -42.0438 -40.2860 -40.2860 -19.3302 -19.3302 -18.8853 -18.8853 -18.6846 -18.6846 -14.1312 -14.1312 -13.9699 -13.9699 -13.9175 -13.9175 -8.7508 -8.7508 -8.4738 -8.4738 4.0623 4.0623 4.6168 4.6168 5.3739 5.3739 5.4716 5.4716 6.3083 6.3083 6.4663 6.4663 11.0628 11.0628 12.4941 12.4941 12.6441 12.6441 13.3285 13.3285 k = 0.5943 0.1711-0.4947 ( 2936 PWs) bands (ev): -42.0442 -42.0442 -40.2878 -40.2878 -19.3235 -19.3235 -18.8809 -18.8809 -18.6821 -18.6821 -14.1294 -14.1294 -13.9688 -13.9688 -13.9171 -13.9171 -8.7554 -8.7554 -8.4846 -8.4846 4.0818 4.0818 4.6338 4.6338 5.3712 5.3712 5.4727 5.4727 6.3203 6.3203 6.4725 6.4725 11.0908 11.0908 12.4761 12.4761 12.6105 12.6105 13.2917 13.2917 k = 0.5915 0.1702-0.4771 ( 2939 PWs) bands (ev): -42.0445 -42.0445 -40.2896 -40.2896 -19.3171 -19.3171 -18.8761 -18.8761 -18.6795 -18.6795 -14.1277 -14.1277 -13.9677 -13.9677 -13.9166 -13.9166 -8.7618 -8.7618 -8.4938 -8.4938 4.1006 4.1006 4.6494 4.6494 5.3678 5.3678 5.4787 5.4787 6.3333 6.3333 6.4764 6.4764 11.1195 11.1195 12.4586 12.4586 12.5766 12.5766 13.2582 13.2582 k = 0.5886 0.1694-0.4594 ( 2937 PWs) bands (ev): -42.0449 -42.0449 -40.2914 -40.2914 -19.3110 -19.3110 -18.8711 -18.8711 -18.6766 -18.6766 -14.1261 -14.1261 -13.9665 -13.9665 -13.9160 -13.9160 -8.7701 -8.7701 -8.5013 -8.5013 4.1190 4.1190 4.6626 4.6626 5.3637 5.3637 5.4902 5.4902 6.3472 6.3472 6.4777 6.4777 11.1487 11.1487 12.4417 12.4417 12.5423 12.5423 13.2282 13.2282 k = 0.5857 0.1686-0.4418 ( 2938 PWs) bands (ev): -42.0452 -42.0452 -40.2933 -40.2933 -19.3053 -19.3053 -18.8658 -18.8658 -18.6736 -18.6736 -14.1246 -14.1246 -13.9652 -13.9652 -13.9153 -13.9153 -8.7803 -8.7803 -8.5070 -8.5070 4.1374 4.1374 4.6727 4.6727 5.3590 5.3590 5.5079 5.5079 6.3619 6.3619 6.4764 6.4764 11.1783 11.1783 12.4252 12.4252 12.5077 12.5077 13.2019 13.2019 k = 0.5829 0.1678-0.4241 ( 2935 PWs) bands (ev): -42.0455 -42.0455 -40.2951 -40.2951 -19.2999 -19.2999 -18.8603 -18.8603 -18.6703 -18.6703 -14.1232 -14.1232 -13.9640 -13.9640 -13.9145 -13.9145 -8.7922 -8.7922 -8.5110 -8.5110 4.1562 4.1562 4.6789 4.6789 5.3537 5.3537 5.5319 5.5319 6.3775 6.3775 6.4723 6.4723 11.2083 11.2083 12.4091 12.4091 12.4731 12.4731 13.1795 13.1795 k = 0.5800 0.1669-0.4065 ( 2931 PWs) bands (ev): -42.0459 -42.0459 -40.2969 -40.2969 -19.2949 -19.2949 -18.8545 -18.8545 -18.6668 -18.6668 -14.1218 -14.1218 -13.9627 -13.9627 -13.9135 -13.9135 -8.8057 -8.8057 -8.5135 -8.5135 4.1755 4.1755 4.6811 4.6811 5.3479 5.3479 5.5624 5.5624 6.3937 6.3937 6.4655 6.4655 11.2385 11.2385 12.3932 12.3932 12.4384 12.4384 13.1612 13.1612 k = 0.5772 0.1661-0.3888 ( 2937 PWs) bands (ev): -42.0462 -42.0462 -40.2988 -40.2988 -19.2903 -19.2903 -18.8485 -18.8485 -18.6631 -18.6631 -14.1207 -14.1207 -13.9615 -13.9615 -13.9126 -13.9126 -8.8206 -8.8206 -8.5147 -8.5147 4.1956 4.1956 4.6793 4.6793 5.3415 5.3415 5.5989 5.5989 6.4099 6.4099 6.4564 6.4564 11.2687 11.2687 12.3771 12.3771 12.4043 12.4043 13.1471 13.1471 k = 0.5743 0.1653-0.3712 ( 2943 PWs) bands (ev): -42.0466 -42.0466 -40.3006 -40.3006 -19.2860 -19.2860 -18.8424 -18.8424 -18.6592 -18.6592 -14.1197 -14.1197 -13.9603 -13.9603 -13.9115 -13.9115 -8.8365 -8.8365 -8.5146 -8.5146 4.2166 4.2166 4.6737 4.6737 5.3346 5.3346 5.6410 5.6410 6.4237 6.4237 6.4474 6.4474 11.2991 11.2991 12.3581 12.3581 12.3733 12.3733 13.1374 13.1374 k = 0.5715 0.1645-0.3535 ( 2943 PWs) bands (ev): -42.0469 -42.0469 -40.3024 -40.3024 -19.2822 -19.2822 -18.8362 -18.8362 -18.6551 -18.6551 -14.1188 -14.1188 -13.9590 -13.9590 -13.9103 -13.9103 -8.8533 -8.8533 -8.5136 -8.5136 4.2389 4.2389 4.6648 4.6648 5.3273 5.3273 5.6879 5.6879 6.4204 6.4204 6.4530 6.4530 11.3294 11.3294 12.3292 12.3292 12.3527 12.3527 13.1321 13.1321 k = 0.5686 0.1637-0.3359 ( 2939 PWs) bands (ev): -42.0472 -42.0472 -40.3042 -40.3042 -19.2787 -19.2787 -18.8299 -18.8299 -18.6507 -18.6507 -14.1180 -14.1180 -13.9577 -13.9577 -13.9090 -13.9090 -8.8708 -8.8708 -8.5118 -8.5118 4.2624 4.2624 4.6532 4.6532 5.3197 5.3197 5.7388 5.7388 6.4036 6.4036 6.4698 6.4698 11.3595 11.3595 12.2959 12.2959 12.3371 12.3371 13.1313 13.1313 k = 0.5657 0.1628-0.3182 ( 2941 PWs) bands (ev): -42.0475 -42.0475 -40.3059 -40.3059 -19.2756 -19.2756 -18.8236 -18.8236 -18.6461 -18.6461 -14.1173 -14.1173 -13.9565 -13.9565 -13.9077 -13.9077 -8.8886 -8.8886 -8.5095 -8.5095 4.2872 4.2872 4.6393 4.6393 5.3117 5.3117 5.7931 5.7931 6.3824 6.3824 6.4885 6.4885 11.3893 11.3893 12.2619 12.2619 12.3225 12.3225 13.1350 13.1350 k = 0.5629 0.1620-0.3006 ( 2941 PWs) bands (ev): -42.0479 -42.0479 -40.3076 -40.3076 -19.2729 -19.2729 -18.8174 -18.8174 -18.6413 -18.6413 -14.1167 -14.1167 -13.9553 -13.9553 -13.9063 -13.9063 -8.9067 -8.9067 -8.5066 -8.5066 4.3135 4.3135 4.6238 4.6238 5.3035 5.3035 5.8498 5.8498 6.3580 6.3580 6.5078 6.5078 11.4187 11.4187 12.2281 12.2281 12.3083 12.3083 13.1432 13.1432 k = 0.5600 0.1612-0.2829 ( 2945 PWs) bands (ev): -42.0482 -42.0482 -40.3093 -40.3093 -19.2706 -19.2706 -18.8112 -18.8112 -18.6363 -18.6363 -14.1163 -14.1163 -13.9541 -13.9541 -13.9048 -13.9048 -8.9248 -8.9248 -8.5034 -8.5034 4.3412 4.3412 4.6071 4.6071 5.2952 5.2952 5.9083 5.9083 6.3309 6.3309 6.5275 6.5275 11.4477 11.4477 12.1947 12.1947 12.2944 12.2944 13.1558 13.1558 k = 0.5572 0.1604-0.2653 ( 2947 PWs) bands (ev): -42.0485 -42.0485 -40.3110 -40.3110 -19.2685 -19.2685 -18.8051 -18.8051 -18.6312 -18.6312 -14.1160 -14.1160 -13.9530 -13.9530 -13.9032 -13.9032 -8.9428 -8.9428 -8.5000 -8.5000 4.3703 4.3703 4.5896 4.5896 5.2867 5.2867 5.9677 5.9677 6.3014 6.3014 6.5473 6.5473 11.4761 11.4761 12.1619 12.1619 12.2807 12.2807 13.1727 13.1727 k = 0.5543 0.1595-0.2476 ( 2955 PWs) bands (ev): -42.0488 -42.0488 -40.3126 -40.3126 -19.2668 -19.2668 -18.7992 -18.7992 -18.6259 -18.6259 -14.1158 -14.1158 -13.9520 -13.9520 -13.9017 -13.9017 -8.9606 -8.9606 -8.4964 -8.4964 4.4006 4.4006 4.5720 4.5720 5.2781 5.2781 6.0266 6.0266 6.2704 6.2704 6.5671 6.5671 11.5038 11.5038 12.1296 12.1296 12.2672 12.2672 13.1939 13.1939 k = 0.5514 0.1587-0.2300 ( 2955 PWs) bands (ev): -42.0491 -42.0491 -40.3141 -40.3141 -19.2653 -19.2653 -18.7936 -18.7936 -18.6205 -18.6205 -14.1156 -14.1156 -13.9509 -13.9509 -13.9000 -13.9000 -8.9781 -8.9781 -8.4927 -8.4927 4.4317 4.4317 4.5550 4.5550 5.2697 5.2697 6.0826 6.0826 6.2401 6.2401 6.5868 6.5868 11.5308 11.5308 12.0983 12.0983 12.2539 12.2539 13.2191 13.2191 k = 0.5486 0.1579-0.2124 ( 2957 PWs) bands (ev): -42.0493 -42.0493 -40.3156 -40.3156 -19.2640 -19.2640 -18.7881 -18.7881 -18.6150 -18.6150 -14.1155 -14.1155 -13.9499 -13.9499 -13.8984 -13.8984 -8.9951 -8.9951 -8.4890 -8.4890 4.4616 4.4616 4.5408 4.5408 5.2613 5.2613 6.1248 6.1248 6.2209 6.2209 6.6063 6.6063 11.5569 11.5569 12.0678 12.0678 12.2409 12.2409 13.2483 13.2483 k = 0.5457 0.1571-0.1947 ( 2958 PWs) bands (ev): -42.0496 -42.0496 -40.3170 -40.3170 -19.2630 -19.2630 -18.7829 -18.7829 -18.6095 -18.6095 -14.1155 -14.1155 -13.9490 -13.9490 -13.8968 -13.8968 -9.0116 -9.0116 -8.4854 -8.4854 4.4823 4.4823 4.5377 4.5377 5.2530 5.2530 6.1238 6.1238 6.2421 6.2421 6.6254 6.6254 11.5820 11.5820 12.0383 12.0383 12.2281 12.2281 13.2812 13.2812 k = 0.5429 0.1563-0.1771 ( 2960 PWs) bands (ev): -42.0499 -42.0499 -40.3184 -40.3184 -19.2622 -19.2622 -18.7780 -18.7780 -18.6040 -18.6040 -14.1156 -14.1156 -13.9481 -13.9481 -13.8951 -13.8951 -9.0275 -9.0275 -8.4818 -8.4818 4.4809 4.4809 4.5587 4.5587 5.2450 5.2450 6.0917 6.0917 6.2911 6.2911 6.6441 6.6441 11.6059 11.6059 12.0099 12.0099 12.2157 12.2157 13.3177 13.3177 k = 0.5400 0.1554-0.1594 ( 2964 PWs) bands (ev): -42.0501 -42.0501 -40.3197 -40.3197 -19.2616 -19.2616 -18.7734 -18.7734 -18.5985 -18.5985 -14.1157 -14.1157 -13.9473 -13.9473 -13.8935 -13.8935 -9.0426 -9.0426 -8.4783 -8.4783 4.4682 4.4682 4.5930 4.5930 5.2372 5.2372 6.0507 6.0507 6.3455 6.3455 6.6622 6.6622 11.6288 11.6288 11.9827 11.9827 12.2037 12.2037 13.3575 13.3575 k = 0.5372 0.1546-0.1418 ( 2965 PWs) bands (ev): -42.0503 -42.0503 -40.3209 -40.3209 -19.2611 -19.2611 -18.7692 -18.7692 -18.5931 -18.5931 -14.1159 -14.1159 -13.9465 -13.9465 -13.8920 -13.8920 -9.0570 -9.0570 -8.4749 -8.4749 4.4533 4.4533 4.6319 4.6319 5.2297 5.2297 6.0059 6.0059 6.3999 6.3999 6.6796 6.6796 11.6503 11.6503 11.9569 11.9569 12.1922 12.1922 13.4004 13.4004 k = 0.5343 0.1538-0.1241 ( 2961 PWs) bands (ev): -42.0505 -42.0505 -40.3220 -40.3220 -19.2608 -19.2608 -18.7652 -18.7652 -18.5879 -18.5879 -14.1160 -14.1160 -13.9457 -13.9457 -13.8904 -13.8904 -9.0706 -9.0706 -8.4717 -8.4717 4.4382 4.4382 4.6731 4.6731 5.2226 5.2226 5.9589 5.9589 6.4528 6.4528 6.6963 6.6963 11.6704 11.6704 11.9325 11.9325 12.1812 12.1812 13.4463 13.4463 k = 0.5314 0.1530-0.1065 ( 2961 PWs) bands (ev): -42.0507 -42.0507 -40.3231 -40.3231 -19.2605 -19.2605 -18.7616 -18.7616 -18.5828 -18.5828 -14.1162 -14.1162 -13.9450 -13.9450 -13.8890 -13.8890 -9.0833 -9.0833 -8.4687 -8.4687 4.4236 4.4236 4.7162 4.7162 5.2158 5.2158 5.9100 5.9100 6.5033 6.5033 6.7121 6.7121 11.6890 11.6890 11.9096 11.9096 12.1709 12.1709 13.4949 13.4949 k = 0.5286 0.1521-0.0888 ( 2958 PWs) bands (ev): -42.0509 -42.0509 -40.3240 -40.3240 -19.2603 -19.2603 -18.7582 -18.7582 -18.5780 -18.5780 -14.1164 -14.1164 -13.9444 -13.9444 -13.8876 -13.8876 -9.0950 -9.0950 -8.4660 -8.4660 4.4099 4.4099 4.7608 4.7608 5.2095 5.2095 5.8598 5.8598 6.5510 6.5510 6.7269 6.7269 11.7060 11.7060 11.8883 11.8883 12.1614 12.1614 13.5460 13.5460 k = 0.5257 0.1513-0.0712 ( 2958 PWs) bands (ev): -42.0511 -42.0511 -40.3249 -40.3249 -19.2603 -19.2603 -18.7553 -18.7553 -18.5735 -18.5735 -14.1166 -14.1166 -13.9438 -13.9438 -13.8863 -13.8863 -9.1058 -9.1058 -8.4634 -8.4634 4.3971 4.3971 4.8067 4.8067 5.2037 5.2037 5.8085 5.8085 6.5954 6.5954 6.7408 6.7408 11.7212 11.7212 11.8687 11.8687 12.1528 12.1528 13.5992 13.5992 k = 0.5229 0.1505-0.0535 ( 2958 PWs) bands (ev): -42.0512 -42.0512 -40.3257 -40.3257 -19.2602 -19.2602 -18.7526 -18.7526 -18.5693 -18.5693 -14.1168 -14.1168 -13.9433 -13.9433 -13.8851 -13.8851 -9.1155 -9.1155 -8.4611 -8.4611 4.3855 4.3855 4.8536 4.8536 5.1984 5.1984 5.7564 5.7564 6.6360 6.6360 6.7535 6.7535 11.7346 11.7346 11.8510 11.8510 12.1450 12.1450 13.6544 13.6544 k = 0.5200 0.1497-0.0359 ( 2963 PWs) bands (ev): -42.0514 -42.0514 -40.3265 -40.3265 -19.2602 -19.2602 -18.7503 -18.7503 -18.5655 -18.5655 -14.1171 -14.1171 -13.9429 -13.9429 -13.8840 -13.8840 -9.1242 -9.1242 -8.4590 -8.4590 4.3751 4.3751 4.9014 4.9014 5.1936 5.1936 5.7038 5.7038 6.6725 6.6725 6.7651 6.7651 11.7463 11.7463 11.8351 11.8351 12.1383 12.1383 13.7111 13.7111 k = 0.5171 0.1489-0.0182 ( 2962 PWs) bands (ev): -42.0515 -42.0515 -40.3271 -40.3271 -19.2603 -19.2603 -18.7483 -18.7483 -18.5622 -18.5622 -14.1173 -14.1173 -13.9425 -13.9425 -13.8831 -13.8831 -9.1318 -9.1318 -8.4572 -8.4572 4.3660 4.3660 4.9497 4.9497 5.1895 5.1895 5.6512 5.6512 6.7045 6.7045 6.7756 6.7756 11.7561 11.7561 11.8212 11.8212 12.1326 12.1326 13.7690 13.7690 k = 0.5143 0.1480-0.0006 ( 2964 PWs) bands (ev): -42.0516 -42.0516 -40.3276 -40.3276 -19.2603 -19.2603 -18.7466 -18.7466 -18.5592 -18.5592 -14.1174 -14.1174 -13.9422 -13.9422 -13.8823 -13.8823 -9.1383 -9.1383 -8.4556 -8.4556 4.3581 4.3581 4.9980 4.9980 5.1860 5.1860 5.5990 5.5990 6.7316 6.7316 6.7851 6.7851 11.7643 11.7643 11.8093 11.8093 12.1278 12.1278 13.8274 13.8274 k = 0.5114 0.1472 0.0171 ( 2962 PWs) bands (ev): -42.0517 -42.0517 -40.3281 -40.3281 -19.2603 -19.2603 -18.7452 -18.7452 -18.5568 -18.5568 -14.1176 -14.1176 -13.9420 -13.9420 -13.8816 -13.8816 -9.1436 -9.1436 -8.4544 -8.4544 4.3517 4.3517 5.0458 5.0458 5.1831 5.1831 5.5480 5.5480 6.7533 6.7533 6.7937 6.7937 11.7707 11.7707 11.7995 11.7995 12.1241 12.1241 13.8855 13.8855 k = 0.5086 0.1464 0.0347 ( 2962 PWs) bands (ev): -42.0517 -42.0517 -40.3284 -40.3284 -19.2604 -19.2604 -18.7442 -18.7442 -18.5549 -18.5549 -14.1177 -14.1177 -13.9417 -13.9417 -13.8811 -13.8811 -9.1478 -9.1478 -8.4534 -8.4534 4.3467 4.3467 5.0915 5.0915 5.1810 5.1810 5.4996 5.4996 6.7693 6.7693 6.8015 6.8015 11.7755 11.7755 11.7919 11.7919 12.1213 12.1213 13.9415 13.9415 k = 0.5057 0.1456 0.0524 ( 2966 PWs) bands (ev): -42.0518 -42.0518 -40.3287 -40.3287 -19.2604 -19.2604 -18.7434 -18.7434 -18.5535 -18.5535 -14.1178 -14.1178 -13.9416 -13.9416 -13.8807 -13.8807 -9.1508 -9.1508 -8.4527 -8.4527 4.3430 4.3430 5.1325 5.1325 5.1798 5.1798 5.4563 5.4563 6.7797 6.7797 6.8083 6.8083 11.7787 11.7787 11.7866 11.7866 12.1193 12.1193 13.9924 13.9924 k = 0.5029 0.1447 0.0700 ( 2966 PWs) bands (ev): -42.0518 -42.0518 -40.3288 -40.3288 -19.2605 -19.2605 -18.7430 -18.7430 -18.5527 -18.5527 -14.1179 -14.1179 -13.9415 -13.9415 -13.8805 -13.8805 -9.1526 -9.1526 -8.4522 -8.4522 4.3409 4.3409 5.1619 5.1619 5.1810 5.1810 5.4235 5.4235 6.7854 6.7854 6.8130 6.8130 11.7801 11.7801 11.7839 11.7839 12.1181 12.1181 14.0313 14.0313 k = 0.5000 0.1439 0.0877 ( 2960 PWs) bands (ev): -42.0518 -42.0518 -40.3289 -40.3289 -19.2605 -19.2605 -18.7428 -18.7428 -18.5524 -18.5524 -14.1179 -14.1179 -13.9415 -13.9415 -13.8804 -13.8804 -9.1532 -9.1532 -8.4521 -8.4521 4.3401 4.3401 5.1704 5.1704 5.1849 5.1849 5.4106 5.4106 6.7872 6.7872 6.8148 6.8148 11.7801 11.7801 11.7834 11.7834 12.1178 12.1178 14.0468 14.0468 k = 0.5000-0.7966-0.4853 ( 2934 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7493 -8.7493 -8.2578 -8.2578 3.8076 3.8076 4.8372 4.8372 5.1749 5.1749 5.3253 5.3253 5.9420 5.9420 6.2505 6.2505 10.9670 10.9670 12.8853 12.8853 13.1206 13.1206 14.2672 14.2672 k = 0.5157-0.7894-0.4810 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7495 -8.7495 -8.2576 -8.2576 3.8066 3.8066 4.8360 4.8360 5.1772 5.1772 5.3253 5.3253 5.9427 5.9427 6.2504 6.2504 10.9661 10.9661 12.8853 12.8853 13.1206 13.1206 14.2670 14.2670 k = 0.5314-0.7822-0.4766 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1705 -14.1705 -13.9861 -13.9861 -13.9186 -13.9186 -8.7500 -8.7500 -8.2572 -8.2572 3.8034 3.8034 4.8325 4.8325 5.1839 5.1839 5.3256 5.3256 5.9448 5.9448 6.2502 6.2502 10.9635 10.9635 12.8854 12.8854 13.1205 13.1205 14.2664 14.2664 k = 0.5472-0.7750-0.4722 ( 2938 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1704 -14.1704 -13.9860 -13.9860 -13.9185 -13.9185 -8.7508 -8.7508 -8.2565 -8.2565 3.7983 3.7983 4.8270 4.8270 5.1945 5.1945 5.3259 5.3259 5.9484 5.9484 6.2498 6.2498 10.9591 10.9591 12.8854 12.8854 13.1203 13.1203 14.2655 14.2655 k = 0.5629-0.7678-0.4678 ( 2932 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4540 -19.4540 -18.9257 -18.9257 -18.7034 -18.7034 -14.1702 -14.1702 -13.9859 -13.9859 -13.9185 -13.9185 -8.7519 -8.7519 -8.2555 -8.2555 3.7913 3.7913 4.8201 4.8201 5.2087 5.2087 5.3264 5.3264 5.9533 5.9533 6.2493 6.2493 10.9532 10.9532 12.8855 12.8855 13.1201 13.1201 14.2643 14.2643 k = 0.5786-0.7606-0.4634 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4539 -19.4539 -18.9257 -18.9257 -18.7034 -18.7034 -14.1701 -14.1701 -13.9859 -13.9859 -13.9184 -13.9184 -8.7533 -8.7533 -8.2542 -8.2542 3.7826 3.7826 4.8120 4.8120 5.2256 5.2256 5.3270 5.3270 5.9596 5.9596 6.2486 6.2486 10.9455 10.9455 12.8855 12.8855 13.1199 13.1199 14.2629 14.2629 k = 0.5943-0.7534-0.4590 ( 2932 PWs) bands (ev): -42.0392 -42.0392 -40.2605 -40.2605 -19.4539 -19.4539 -18.9257 -18.9257 -18.7034 -18.7034 -14.1699 -14.1699 -13.9857 -13.9857 -13.9184 -13.9184 -8.7550 -8.7550 -8.2527 -8.2527 3.7722 3.7722 4.8033 4.8033 5.2447 5.2447 5.3278 5.3278 5.9672 5.9672 6.2478 6.2478 10.9364 10.9364 12.8857 12.8857 13.1196 13.1196 14.2614 14.2614 k = 0.6100-0.7462-0.4547 ( 2936 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4538 -19.4538 -18.9257 -18.9257 -18.7034 -18.7034 -14.1697 -14.1697 -13.9856 -13.9856 -13.9183 -13.9183 -8.7569 -8.7569 -8.2511 -8.2511 3.7604 3.7604 4.7944 4.7944 5.2654 5.2654 5.3287 5.3287 5.9760 5.9760 6.2468 6.2468 10.9259 10.9259 12.8858 12.8858 13.1192 13.1192 14.2600 14.2600 k = 0.6258-0.7391-0.4503 ( 2935 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4537 -19.4537 -18.9258 -18.9258 -18.7034 -18.7034 -14.1695 -14.1695 -13.9855 -13.9855 -13.9183 -13.9183 -8.7590 -8.7590 -8.2492 -8.2492 3.7475 3.7475 4.7854 4.7854 5.2870 5.2870 5.3300 5.3300 5.9860 5.9860 6.2457 6.2457 10.9141 10.9141 12.8860 12.8860 13.1188 13.1188 14.2587 14.2587 k = 0.6415-0.7319-0.4459 ( 2937 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4537 -19.4537 -18.9258 -18.9258 -18.7035 -18.7035 -14.1693 -14.1693 -13.9854 -13.9854 -13.9182 -13.9182 -8.7613 -8.7613 -8.2472 -8.2472 3.7336 3.7336 4.7767 4.7767 5.3085 5.3085 5.3321 5.3321 5.9970 5.9970 6.2446 6.2446 10.9010 10.9010 12.8861 12.8861 13.1183 13.1183 14.2578 14.2578 k = 0.6572-0.7247-0.4415 ( 2937 PWs) bands (ev): -42.0392 -42.0392 -40.2606 -40.2606 -19.4536 -19.4536 -18.9258 -18.9258 -18.7035 -18.7035 -14.1690 -14.1690 -13.9852 -13.9852 -13.9181 -13.9181 -8.7637 -8.7637 -8.2452 -8.2452 3.7190 3.7190 4.7683 4.7683 5.3251 5.3251 5.3395 5.3395 6.0089 6.0089 6.2433 6.2433 10.8870 10.8870 12.8863 12.8863 13.1178 13.1178 14.2572 14.2572 k = 0.6729-0.7175-0.4371 ( 2943 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4535 -19.4535 -18.9259 -18.9259 -18.7035 -18.7035 -14.1687 -14.1687 -13.9851 -13.9851 -13.9181 -13.9181 -8.7662 -8.7662 -8.2430 -8.2430 3.7038 3.7038 4.7604 4.7604 5.3301 5.3301 5.3585 5.3585 6.0217 6.0217 6.2420 6.2420 10.8722 10.8722 12.8865 12.8865 13.1171 13.1171 14.2573 14.2573 k = 0.6886-0.7103-0.4327 ( 2947 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4534 -19.4534 -18.9259 -18.9259 -18.7035 -18.7035 -14.1684 -14.1684 -13.9849 -13.9849 -13.9180 -13.9180 -8.7687 -8.7687 -8.2409 -8.2409 3.6883 3.6883 4.7530 4.7530 5.3321 5.3321 5.3802 5.3802 6.0352 6.0352 6.2406 6.2406 10.8566 10.8566 12.8867 12.8867 13.1165 13.1165 14.2581 14.2581 k = 0.7044-0.7031-0.4284 ( 2947 PWs) bands (ev): -42.0392 -42.0392 -40.2607 -40.2607 -19.4532 -19.4532 -18.9259 -18.9259 -18.7036 -18.7036 -14.1681 -14.1681 -13.9847 -13.9847 -13.9180 -13.9180 -8.7713 -8.7713 -8.2387 -8.2387 3.6728 3.6728 4.7462 4.7462 5.3338 5.3338 5.4019 5.4019 6.0491 6.0491 6.2392 6.2392 10.8407 10.8407 12.8870 12.8870 13.1158 13.1158 14.2597 14.2597 k = 0.7201-0.6959-0.4240 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2608 -40.2608 -19.4531 -19.4531 -18.9259 -18.9259 -18.7036 -18.7036 -14.1678 -14.1678 -13.9846 -13.9846 -13.9179 -13.9179 -8.7738 -8.7738 -8.2366 -8.2366 3.6574 3.6574 4.7400 4.7400 5.3352 5.3352 5.4230 5.4230 6.0634 6.0634 6.2377 6.2377 10.8245 10.8245 12.8873 12.8873 13.1150 13.1150 14.2623 14.2623 k = 0.7358-0.6887-0.4196 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2608 -40.2608 -19.4529 -19.4529 -18.9260 -18.9260 -18.7036 -18.7036 -14.1674 -14.1674 -13.9844 -13.9844 -13.9178 -13.9178 -8.7763 -8.7763 -8.2345 -8.2345 3.6424 3.6424 4.7344 4.7344 5.3367 5.3367 5.4431 5.4431 6.0778 6.0778 6.2363 6.2363 10.8083 10.8083 12.8876 12.8876 13.1142 13.1142 14.2659 14.2659 k = 0.7515-0.6815-0.4152 ( 2946 PWs) bands (ev): -42.0392 -42.0392 -40.2609 -40.2609 -19.4527 -19.4527 -18.9260 -18.9260 -18.7036 -18.7036 -14.1671 -14.1671 -13.9842 -13.9842 -13.9177 -13.9177 -8.7788 -8.7788 -8.2326 -8.2326 3.6278 3.6278 4.7294 4.7294 5.3380 5.3380 5.4621 5.4621 6.0922 6.0922 6.2348 6.2348 10.7922 10.7922 12.8879 12.8879 13.1133 13.1133 14.2707 14.2707 k = 0.7672-0.6743-0.4108 ( 2939 PWs) bands (ev): -42.0392 -42.0392 -40.2609 -40.2609 -19.4525 -19.4525 -18.9260 -18.9260 -18.7036 -18.7036 -14.1667 -14.1667 -13.9839 -13.9839 -13.9176 -13.9176 -8.7810 -8.7810 -8.2309 -8.2309 3.6139 3.6139 4.7251 4.7251 5.3395 5.3395 5.4800 5.4800 6.1062 6.1062 6.2335 6.2335 10.7765 10.7765 12.8883 12.8883 13.1124 13.1124 14.2766 14.2766 k = 0.7830-0.6671-0.4064 ( 2937 PWs) bands (ev): -42.0393 -42.0393 -40.2609 -40.2609 -19.4523 -19.4523 -18.9260 -18.9260 -18.7036 -18.7036 -14.1663 -14.1663 -13.9837 -13.9837 -13.9175 -13.9175 -8.7832 -8.7832 -8.2293 -8.2293 3.6008 3.6008 4.7213 4.7213 5.3409 5.3409 5.4965 5.4965 6.1198 6.1198 6.2322 6.2322 10.7614 10.7614 12.8887 12.8887 13.1114 13.1114 14.2837 14.2837 k = 0.7987-0.6599-0.4020 ( 2935 PWs) bands (ev): -42.0393 -42.0393 -40.2610 -40.2610 -19.4520 -19.4520 -18.9260 -18.9260 -18.7037 -18.7037 -14.1660 -14.1660 -13.9836 -13.9836 -13.9174 -13.9174 -8.7852 -8.7852 -8.2279 -8.2279 3.5887 3.5887 4.7182 4.7182 5.3423 5.3423 5.5115 5.5115 6.1326 6.1326 6.2311 6.2311 10.7470 10.7470 12.8890 12.8890 13.1104 13.1104 14.2919 14.2919 k = 0.8144-0.6527-0.3977 ( 2935 PWs) bands (ev): -42.0393 -42.0393 -40.2610 -40.2610 -19.4518 -19.4518 -18.9260 -18.9260 -18.7037 -18.7037 -14.1656 -14.1656 -13.9834 -13.9834 -13.9173 -13.9173 -8.7870 -8.7870 -8.2267 -8.2267 3.5776 3.5776 4.7156 4.7156 5.3436 5.3436 5.5250 5.5250 6.1444 6.1444 6.2301 6.2301 10.7336 10.7336 12.8895 12.8895 13.1093 13.1093 14.3013 14.3013 Writing output data file NaScO2.save init_run : 0.46s CPU 0.61s WALL ( 1 calls) electrons : 160.24s CPU 162.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 160.24s CPU 162.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.05s WALL ( 384 calls) cegterg : 145.94s CPU 147.46s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 111.57s CPU 113.19s WALL ( 6980 calls) s_psi : 1.68s CPU 1.57s WALL ( 6980 calls) g_psi : 0.18s CPU 0.15s WALL ( 6193 calls) cdiaghg : 36.36s CPU 36.93s WALL ( 6577 calls) cegterg:over : 3.31s CPU 3.24s WALL ( 6193 calls) cegterg:upda : 2.54s CPU 2.44s WALL ( 6193 calls) cegterg:last : 1.40s CPU 1.40s WALL ( 1217 calls) cdiaghg:chol : 1.92s CPU 1.97s WALL ( 6577 calls) cdiaghg:inve : 1.14s CPU 1.19s WALL ( 6577 calls) cdiaghg:para : 2.09s CPU 2.08s WALL ( 13154 calls) Called by h_psi: h_psi:vloc : 107.38s CPU 108.99s WALL ( 6980 calls) h_psi:vnl : 4.04s CPU 4.08s WALL ( 6980 calls) add_vuspsi : 1.96s CPU 1.98s WALL ( 6980 calls) General routines calbec : 2.08s CPU 2.08s WALL ( 6980 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.43s CPU 102.13s WALL ( 665708 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 768 calls) Parallel routines fft_scatter : 24.76s CPU 25.10s WALL ( 665731 calls) PWSCF : 2m54.07s CPU 3m25.93s WALL This run was terminated on: 21: 6:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=