Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:19 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: ./NaVO2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 34 10 2164 569 92 Max 83 35 11 2167 585 94 Sum 2981 1239 365 77963 20903 3353 bravais-lattice index = 14 lattice parameter (alat) = 10.6550 a.u. unit-cell volume = 281.4982 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.655019 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.858839 celldm(5)= 0.858839 celldm(6)= 0.858839 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.858839 0.512245 0.000000 ) a(3) = ( 0.858839 0.236673 0.454292 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.676618 -1.017033 ) b(2) = ( 0.000000 1.952190 -1.017033 ) b(3) = ( 0.000000 0.000000 2.201228 ) 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 V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) V 13.00 50.94150 V( 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= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0080645 -0.0135211 -0.0082019), wk = 0.0024876 k( 3) = ( 0.0161290 -0.0270422 -0.0164038), wk = 0.0024876 k( 4) = ( 0.0241936 -0.0405633 -0.0246056), wk = 0.0024876 k( 5) = ( 0.0322581 -0.0540844 -0.0328075), wk = 0.0024876 k( 6) = ( 0.0403226 -0.0676056 -0.0410094), wk = 0.0024876 k( 7) = ( 0.0483871 -0.0811267 -0.0492113), wk = 0.0024876 k( 8) = ( 0.0564516 -0.0946478 -0.0574131), wk = 0.0024876 k( 9) = ( 0.0645161 -0.1081689 -0.0656150), wk = 0.0024876 k( 10) = ( 0.0725806 -0.1216900 -0.0738169), wk = 0.0024876 k( 11) = ( 0.0806452 -0.1352111 -0.0820188), wk = 0.0024876 k( 12) = ( 0.0887097 -0.1487322 -0.0902207), wk = 0.0024876 k( 13) = ( 0.0967742 -0.1622533 -0.0984225), wk = 0.0024876 k( 14) = ( 0.1048387 -0.1757745 -0.1066244), wk = 0.0024876 k( 15) = ( 0.1129032 -0.1892956 -0.1148263), wk = 0.0024876 k( 16) = ( 0.1209677 -0.2028167 -0.1230282), wk = 0.0024876 k( 17) = ( 0.1290323 -0.2163378 -0.1312301), wk = 0.0024876 k( 18) = ( 0.1370968 -0.2298589 -0.1394319), wk = 0.0024876 k( 19) = ( 0.1451613 -0.2433800 -0.1476338), wk = 0.0024876 k( 20) = ( 0.1532258 -0.2569011 -0.1558357), wk = 0.0024876 k( 21) = ( 0.1612903 -0.2704222 -0.1640376), wk = 0.0024876 k( 22) = ( 0.1693548 -0.2839433 -0.1722395), wk = 0.0024876 k( 23) = ( 0.1774194 -0.2974644 -0.1804413), wk = 0.0024876 k( 24) = ( 0.1854839 -0.3109856 -0.1886432), wk = 0.0024876 k( 25) = ( 0.1935484 -0.3245067 -0.1968451), wk = 0.0024876 k( 26) = ( 0.2016129 -0.3380278 -0.2050470), wk = 0.0024876 k( 27) = ( 0.2096774 -0.3515489 -0.2132489), wk = 0.0024876 k( 28) = ( 0.2177419 -0.3650700 -0.2214507), wk = 0.0024876 k( 29) = ( 0.2258064 -0.3785911 -0.2296526), wk = 0.0024876 k( 30) = ( 0.2338710 -0.3921122 -0.2378545), wk = 0.0024876 k( 31) = ( 0.2419355 -0.4056333 -0.2460564), wk = 0.0024876 k( 32) = ( 0.2500000 -0.4191545 -0.2542582), wk = 0.0024876 k( 33) = ( 0.2580645 -0.4326756 -0.2624601), wk = 0.0024876 k( 34) = ( 0.2661290 -0.4461967 -0.2706620), wk = 0.0024876 k( 35) = ( 0.2741936 -0.4597178 -0.2788639), wk = 0.0024876 k( 36) = ( 0.2822581 -0.4732389 -0.2870658), wk = 0.0024876 k( 37) = ( 0.2903226 -0.4867600 -0.2952676), wk = 0.0024876 k( 38) = ( 0.2983871 -0.5002811 -0.3034695), wk = 0.0024876 k( 39) = ( 0.3064516 -0.5138022 -0.3116714), wk = 0.0024876 k( 40) = ( 0.3145161 -0.5273234 -0.3198733), wk = 0.0024876 k( 41) = ( 0.3225807 -0.5408445 -0.3280752), wk = 0.0024876 k( 42) = ( 0.3306452 -0.5543656 -0.3362770), wk = 0.0024876 k( 43) = ( 0.3387097 -0.5678867 -0.3444789), wk = 0.0024876 k( 44) = ( 0.3467742 -0.5814078 -0.3526808), wk = 0.0024876 k( 45) = ( 0.3548387 -0.5949289 -0.3608827), wk = 0.0024876 k( 46) = ( 0.3629032 -0.6084500 -0.3690846), wk = 0.0024876 k( 47) = ( 0.3709677 -0.6219711 -0.3772864), wk = 0.0024876 k( 48) = ( 0.3790323 -0.6354922 -0.3854883), wk = 0.0024876 k( 49) = ( 0.3870968 -0.6490133 -0.3936902), wk = 0.0024876 k( 50) = ( 0.3951613 -0.6625345 -0.4018921), wk = 0.0024876 k( 51) = ( 0.4032258 -0.6760556 -0.4100939), wk = 0.0024876 k( 52) = ( 0.4112903 -0.6895767 -0.4182958), wk = 0.0024876 k( 53) = ( 0.4193548 -0.7030978 -0.4264977), wk = 0.0024876 k( 54) = ( 0.4274193 -0.7166189 -0.4346996), wk = 0.0024876 k( 55) = ( 0.4354839 -0.7301400 -0.4429015), wk = 0.0024876 k( 56) = ( 0.4435484 -0.7436611 -0.4511033), wk = 0.0024876 k( 57) = ( 0.4516129 -0.7571822 -0.4593052), wk = 0.0024876 k( 58) = ( 0.4596774 -0.7707034 -0.4675071), wk = 0.0024876 k( 59) = ( 0.4677419 -0.7842245 -0.4757090), wk = 0.0024876 k( 60) = ( 0.4758064 -0.7977456 -0.4839109), wk = 0.0024876 k( 61) = ( 0.4838710 -0.8112667 -0.4921127), wk = 0.0024876 k( 62) = ( 0.4919355 -0.8247878 -0.5003146), wk = 0.0024876 k( 63) = ( 0.5000000 -0.8383089 -0.5085165), wk = 0.0024876 k( 64) = ( 0.5000000 -0.8383089 -0.5085165), wk = 0.0024876 k( 65) = ( 0.5000000 -0.8290996 -0.5236985), wk = 0.0024876 k( 66) = ( 0.5000000 -0.8198902 -0.5388805), wk = 0.0024876 k( 67) = ( 0.5000000 -0.8106808 -0.5540624), wk = 0.0024876 k( 68) = ( 0.5000000 -0.8014715 -0.5692444), wk = 0.0024876 k( 69) = ( 0.5000000 -0.7922621 -0.5844264), wk = 0.0024876 k( 70) = ( 0.5000000 -0.7830528 -0.5996084), wk = 0.0024876 k( 71) = ( 0.5000000 -0.7738434 -0.6147904), wk = 0.0024876 k( 72) = ( 0.5000000 -0.7646340 -0.6299724), wk = 0.0024876 k( 73) = ( 0.5000000 -0.7554247 -0.6451543), wk = 0.0024876 k( 74) = ( 0.5000000 -0.7462153 -0.6603363), wk = 0.0024876 k( 75) = ( 0.5000000 -0.7370060 -0.6755183), wk = 0.0024876 k( 76) = ( 0.5000000 -0.7277966 -0.6907003), wk = 0.0024876 k( 77) = ( 0.5000000 -0.7185872 -0.7058823), wk = 0.0024876 k( 78) = ( 0.5000000 -0.7093779 -0.7210643), wk = 0.0024876 k( 79) = ( 0.5000000 -0.7001685 -0.7362462), wk = 0.0024876 k( 80) = ( 0.5000000 -0.6909591 -0.7514282), wk = 0.0024876 k( 81) = ( 0.5000000 -0.6817498 -0.7666102), wk = 0.0024876 k( 82) = ( 0.5000000 -0.6725404 -0.7817922), wk = 0.0024876 k( 83) = ( 0.5000000 -0.6633311 -0.7969742), wk = 0.0024876 k( 84) = ( 0.5000000 -0.6541217 -0.8121562), wk = 0.0024876 k( 85) = ( 0.5000000 -0.6449123 -0.8273382), wk = 0.0024876 k( 86) = ( 0.5000000 -0.6357030 -0.8425201), wk = 0.0024876 k( 87) = ( 0.5000000 -0.6264936 -0.8577021), wk = 0.0024876 k( 88) = ( 0.5000000 -0.6172843 -0.8728841), wk = 0.0024876 k( 89) = ( 0.5000000 -0.6080749 -0.8880661), wk = 0.0024876 k( 90) = ( 0.5000000 -0.5988655 -0.9032481), wk = 0.0024876 k( 91) = ( 0.5000000 -0.5896562 -0.9184301), wk = 0.0024876 k( 92) = ( 0.5000000 -0.5804468 -0.9336120), wk = 0.0024876 k( 93) = ( 0.5000000 -0.5712375 -0.9487940), wk = 0.0024876 k( 94) = ( 0.5000000 -0.5620281 -0.9639760), wk = 0.0024876 k( 95) = ( 0.5000000 -0.5528187 -0.9791580), wk = 0.0024876 k( 96) = ( 0.5000000 -0.5436094 -0.9943400), wk = 0.0024876 k( 97) = ( 0.5000000 -0.5344000 -1.0095220), wk = 0.0024876 k( 98) = ( 0.5000000 -0.5251907 -1.0247039), wk = 0.0024876 k( 99) = ( 0.5000000 -0.5159813 -1.0398859), wk = 0.0024876 k( 100) = ( 0.5000000 -0.5067719 -1.0550679), wk = 0.0024876 k( 101) = ( 0.5000000 -0.4975626 -1.0702499), wk = 0.0024876 k( 102) = ( 0.5000000 -0.4883532 -1.0854319), wk = 0.0024876 k( 103) = ( 0.5000000 -0.4791439 -1.1006139), wk = 0.0024876 k( 104) = ( 0.8160194 -0.3920576 -0.9334521), wk = 0.0024876 k( 105) = ( 0.8113027 -0.3841494 -0.9182725), wk = 0.0024876 k( 106) = ( 0.8065860 -0.3762413 -0.9030929), wk = 0.0024876 k( 107) = ( 0.8018693 -0.3683332 -0.8879133), wk = 0.0024876 k( 108) = ( 0.7971526 -0.3604251 -0.8727337), wk = 0.0024876 k( 109) = ( 0.7924359 -0.3525170 -0.8575541), wk = 0.0024876 k( 110) = ( 0.7877192 -0.3446089 -0.8423745), wk = 0.0024876 k( 111) = ( 0.7830025 -0.3367007 -0.8271949), wk = 0.0024876 k( 112) = ( 0.7782858 -0.3287926 -0.8120153), wk = 0.0024876 k( 113) = ( 0.7735691 -0.3208845 -0.7968357), wk = 0.0024876 k( 114) = ( 0.7688524 -0.3129764 -0.7816561), wk = 0.0024876 k( 115) = ( 0.7641357 -0.3050683 -0.7664765), wk = 0.0024876 k( 116) = ( 0.7594190 -0.2971602 -0.7512969), wk = 0.0024876 k( 117) = ( 0.7547022 -0.2892520 -0.7361173), wk = 0.0024876 k( 118) = ( 0.7499855 -0.2813439 -0.7209378), wk = 0.0024876 k( 119) = ( 0.7452688 -0.2734358 -0.7057582), wk = 0.0024876 k( 120) = ( 0.7405521 -0.2655277 -0.6905786), wk = 0.0024876 k( 121) = ( 0.7358354 -0.2576196 -0.6753989), wk = 0.0024876 k( 122) = ( 0.7311187 -0.2497115 -0.6602193), wk = 0.0024876 k( 123) = ( 0.7264020 -0.2418033 -0.6450397), wk = 0.0024876 k( 124) = ( 0.7216853 -0.2338952 -0.6298602), wk = 0.0024876 k( 125) = ( 0.7169686 -0.2259871 -0.6146806), wk = 0.0024876 k( 126) = ( 0.7122519 -0.2180790 -0.5995010), wk = 0.0024876 k( 127) = ( 0.7075352 -0.2101709 -0.5843214), wk = 0.0024876 k( 128) = ( 0.7028184 -0.2022627 -0.5691418), wk = 0.0024876 k( 129) = ( 0.6981017 -0.1943546 -0.5539622), wk = 0.0024876 k( 130) = ( 0.6933850 -0.1864465 -0.5387826), wk = 0.0024876 k( 131) = ( 0.6886683 -0.1785384 -0.5236030), wk = 0.0024876 k( 132) = ( 0.6839516 -0.1706303 -0.5084234), wk = 0.0024876 k( 133) = ( 0.6792349 -0.1627222 -0.4932438), wk = 0.0024876 k( 134) = ( 0.6745182 -0.1548140 -0.4780642), wk = 0.0024876 k( 135) = ( 0.6698015 -0.1469059 -0.4628846), wk = 0.0024876 k( 136) = ( 0.6650848 -0.1389978 -0.4477050), wk = 0.0024876 k( 137) = ( 0.6603681 -0.1310897 -0.4325254), wk = 0.0024876 k( 138) = ( 0.6556514 -0.1231816 -0.4173458), wk = 0.0024876 k( 139) = ( 0.6509347 -0.1152735 -0.4021662), wk = 0.0024876 k( 140) = ( 0.6462180 -0.1073654 -0.3869866), wk = 0.0024876 k( 141) = ( 0.6415013 -0.0994572 -0.3718070), wk = 0.0024876 k( 142) = ( 0.6367845 -0.0915491 -0.3566274), wk = 0.0024876 k( 143) = ( 0.6320678 -0.0836410 -0.3414478), wk = 0.0024876 k( 144) = ( 0.6273511 -0.0757329 -0.3262682), wk = 0.0024876 k( 145) = ( 0.6226344 -0.0678248 -0.3110886), wk = 0.0024876 k( 146) = ( 0.6179177 -0.0599167 -0.2959091), wk = 0.0024876 k( 147) = ( 0.6132010 -0.0520085 -0.2807294), wk = 0.0024876 k( 148) = ( 0.6084843 -0.0441004 -0.2655498), wk = 0.0024876 k( 149) = ( 0.6037676 -0.0361923 -0.2503702), wk = 0.0024876 k( 150) = ( 0.5990509 -0.0282842 -0.2351906), wk = 0.0024876 k( 151) = ( 0.5943342 -0.0203761 -0.2200110), wk = 0.0024876 k( 152) = ( 0.5896175 -0.0124679 -0.2048315), wk = 0.0024876 k( 153) = ( 0.5849007 -0.0045598 -0.1896519), wk = 0.0024876 k( 154) = ( 0.5801840 0.0033483 -0.1744723), wk = 0.0024876 k( 155) = ( 0.5754673 0.0112564 -0.1592927), wk = 0.0024876 k( 156) = ( 0.5707506 0.0191645 -0.1441131), wk = 0.0024876 k( 157) = ( 0.5660339 0.0270726 -0.1289335), wk = 0.0024876 k( 158) = ( 0.5613172 0.0349808 -0.1137539), wk = 0.0024876 k( 159) = ( 0.5566005 0.0428889 -0.0985743), wk = 0.0024876 k( 160) = ( 0.5518838 0.0507970 -0.0833947), wk = 0.0024876 k( 161) = ( 0.5471671 0.0587051 -0.0682151), wk = 0.0024876 k( 162) = ( 0.5424504 0.0666132 -0.0530355), wk = 0.0024876 k( 163) = ( 0.5377337 0.0745213 -0.0378559), wk = 0.0024876 k( 164) = ( 0.5330170 0.0824295 -0.0226763), wk = 0.0024876 k( 165) = ( 0.5283003 0.0903376 -0.0074967), wk = 0.0024876 k( 166) = ( 0.5235835 0.0982457 0.0076829), wk = 0.0024876 k( 167) = ( 0.5188668 0.1061538 0.0228625), wk = 0.0024876 k( 168) = ( 0.5141501 0.1140619 0.0380421), wk = 0.0024876 k( 169) = ( 0.5094334 0.1219700 0.0532217), wk = 0.0024876 k( 170) = ( 0.5047167 0.1298782 0.0684013), wk = 0.0024876 k( 171) = ( 0.5000000 0.1377863 0.0835809), wk = 0.0024876 k( 172) = ( 0.5000000 0.1377863 0.0835809), wk = 0.0024876 k( 173) = ( 0.4833333 0.1331934 0.0807948), wk = 0.0024876 k( 174) = ( 0.4666667 0.1286005 0.0780088), wk = 0.0024876 k( 175) = ( 0.4500000 0.1240077 0.0752228), wk = 0.0024876 k( 176) = ( 0.4333333 0.1194148 0.0724368), wk = 0.0024876 k( 177) = ( 0.4166667 0.1148219 0.0696507), wk = 0.0024876 k( 178) = ( 0.4000000 0.1102290 0.0668647), wk = 0.0024876 k( 179) = ( 0.3833333 0.1056361 0.0640787), wk = 0.0024876 k( 180) = ( 0.3666667 0.1010433 0.0612926), wk = 0.0024876 k( 181) = ( 0.3500000 0.0964504 0.0585066), wk = 0.0024876 k( 182) = ( 0.3333333 0.0918575 0.0557206), wk = 0.0024876 k( 183) = ( 0.3166667 0.0872646 0.0529346), wk = 0.0024876 k( 184) = ( 0.3000000 0.0826718 0.0501485), wk = 0.0024876 k( 185) = ( 0.2833333 0.0780789 0.0473625), wk = 0.0024876 k( 186) = ( 0.2666667 0.0734860 0.0445765), wk = 0.0024876 k( 187) = ( 0.2500000 0.0688931 0.0417904), wk = 0.0024876 k( 188) = ( 0.2333333 0.0643003 0.0390044), wk = 0.0024876 k( 189) = ( 0.2166667 0.0597074 0.0362184), wk = 0.0024876 k( 190) = ( 0.2000000 0.0551145 0.0334324), wk = 0.0024876 k( 191) = ( 0.1833333 0.0505216 0.0306463), wk = 0.0024876 k( 192) = ( 0.1666667 0.0459288 0.0278603), wk = 0.0024876 k( 193) = ( 0.1500000 0.0413359 0.0250743), wk = 0.0024876 k( 194) = ( 0.1333333 0.0367430 0.0222882), wk = 0.0024876 k( 195) = ( 0.1166667 0.0321501 0.0195022), wk = 0.0024876 k( 196) = ( 0.1000000 0.0275573 0.0167162), wk = 0.0024876 k( 197) = ( 0.0833333 0.0229644 0.0139301), wk = 0.0024876 k( 198) = ( 0.0666667 0.0183715 0.0111441), wk = 0.0024876 k( 199) = ( 0.0500000 0.0137786 0.0083581), wk = 0.0024876 k( 200) = ( 0.0333333 0.0091858 0.0055721), wk = 0.0024876 k( 201) = ( 0.0166667 0.0045929 0.0027860), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 204) = ( 0.0047499 -0.0079637 -0.0152863), wk = 0.0024876 k( 205) = ( 0.0094997 -0.0159274 -0.0305726), wk = 0.0024876 k( 206) = ( 0.0142496 -0.0238911 -0.0458589), wk = 0.0024876 k( 207) = ( 0.0189995 -0.0318548 -0.0611452), wk = 0.0024876 k( 208) = ( 0.0237493 -0.0398185 -0.0764315), wk = 0.0024876 k( 209) = ( 0.0284992 -0.0477823 -0.0917178), wk = 0.0024876 k( 210) = ( 0.0332491 -0.0557460 -0.1070041), wk = 0.0024876 k( 211) = ( 0.0379989 -0.0637097 -0.1222904), wk = 0.0024876 k( 212) = ( 0.0427488 -0.0716734 -0.1375767), wk = 0.0024876 k( 213) = ( 0.0474987 -0.0796371 -0.1528630), wk = 0.0024876 k( 214) = ( 0.0522485 -0.0876008 -0.1681493), wk = 0.0024876 k( 215) = ( 0.0569984 -0.0955645 -0.1834356), wk = 0.0024876 k( 216) = ( 0.0617482 -0.1035282 -0.1987219), wk = 0.0024876 k( 217) = ( 0.0664981 -0.1114919 -0.2140083), wk = 0.0024876 k( 218) = ( 0.0712480 -0.1194556 -0.2292945), wk = 0.0024876 k( 219) = ( 0.0759978 -0.1274193 -0.2445809), wk = 0.0024876 k( 220) = ( 0.0807477 -0.1353830 -0.2598671), wk = 0.0024876 k( 221) = ( 0.0854976 -0.1433468 -0.2751535), wk = 0.0024876 k( 222) = ( 0.0902474 -0.1513105 -0.2904398), wk = 0.0024876 k( 223) = ( 0.0949973 -0.1592742 -0.3057261), wk = 0.0024876 k( 224) = ( 0.0997472 -0.1672379 -0.3210124), wk = 0.0024876 k( 225) = ( 0.1044970 -0.1752016 -0.3362987), wk = 0.0024876 k( 226) = ( 0.1092469 -0.1831653 -0.3515850), wk = 0.0024876 k( 227) = ( 0.1139968 -0.1911290 -0.3668713), wk = 0.0024876 k( 228) = ( 0.1187466 -0.1990927 -0.3821576), wk = 0.0024876 k( 229) = ( 0.1234965 -0.2070564 -0.3974439), wk = 0.0024876 k( 230) = ( 0.1282464 -0.2150201 -0.4127302), wk = 0.0024876 k( 231) = ( 0.1329962 -0.2229838 -0.4280165), wk = 0.0024876 k( 232) = ( 0.1377461 -0.2309475 -0.4433028), wk = 0.0024876 k( 233) = ( 0.1424960 -0.2389113 -0.4585891), wk = 0.0024876 k( 234) = ( 0.1472458 -0.2468750 -0.4738754), wk = 0.0024876 k( 235) = ( 0.1519957 -0.2548387 -0.4891617), wk = 0.0024876 k( 236) = ( 0.1567455 -0.2628024 -0.5044480), wk = 0.0024876 k( 237) = ( 0.1614954 -0.2707661 -0.5197343), wk = 0.0024876 k( 238) = ( 0.1662453 -0.2787298 -0.5350206), wk = 0.0024876 k( 239) = ( 0.1709951 -0.2866935 -0.5503069), wk = 0.0024876 k( 240) = ( 0.1757450 -0.2946572 -0.5655932), wk = 0.0024876 k( 241) = ( 0.1804949 -0.3026209 -0.5808795), wk = 0.0024876 k( 242) = ( 0.1852447 -0.3105846 -0.5961658), wk = 0.0024876 k( 243) = ( 0.1899946 -0.3185483 -0.6114522), wk = 0.0024876 k( 244) = ( 0.1947445 -0.3265120 -0.6267384), wk = 0.0024876 k( 245) = ( 0.1994943 -0.3344758 -0.6420248), wk = 0.0024876 k( 246) = ( 0.2042442 -0.3424395 -0.6573110), wk = 0.0024876 k( 247) = ( 0.2089941 -0.3504032 -0.6725974), wk = 0.0024876 k( 248) = ( 0.2137439 -0.3583669 -0.6878837), wk = 0.0024876 k( 249) = ( 0.2184938 -0.3663306 -0.7031700), wk = 0.0024876 k( 250) = ( 0.2232436 -0.3742943 -0.7184563), wk = 0.0024876 k( 251) = ( 0.2279935 -0.3822580 -0.7337426), wk = 0.0024876 k( 252) = ( 0.2327434 -0.3902217 -0.7490289), wk = 0.0024876 k( 253) = ( 0.2374932 -0.3981854 -0.7643152), wk = 0.0024876 k( 254) = ( 0.2422431 -0.4061491 -0.7796015), wk = 0.0024876 k( 255) = ( 0.2469930 -0.4141128 -0.7948878), wk = 0.0024876 k( 256) = ( 0.2517428 -0.4220765 -0.8101741), wk = 0.0024876 k( 257) = ( 0.2564927 -0.4300403 -0.8254604), wk = 0.0024876 k( 258) = ( 0.2612426 -0.4380040 -0.8407467), wk = 0.0024876 k( 259) = ( 0.2659924 -0.4459677 -0.8560330), wk = 0.0024876 k( 260) = ( 0.2707423 -0.4539314 -0.8713193), wk = 0.0024876 k( 261) = ( 0.2754922 -0.4618951 -0.8866056), wk = 0.0024876 k( 262) = ( 0.2802420 -0.4698588 -0.9018919), wk = 0.0024876 k( 263) = ( 0.2849919 -0.4778225 -0.9171782), wk = 0.0024876 k( 264) = ( 0.2897418 -0.4857862 -0.9324645), wk = 0.0024876 k( 265) = ( 0.2944916 -0.4937499 -0.9477508), wk = 0.0024876 k( 266) = ( 0.2992415 -0.5017136 -0.9630371), wk = 0.0024876 k( 267) = ( 0.3039914 -0.5096773 -0.9783234), wk = 0.0024876 k( 268) = ( 0.3087412 -0.5176410 -0.9936097), wk = 0.0024876 k( 269) = ( 0.3134911 -0.5256047 -1.0088960), wk = 0.0024876 k( 270) = ( 0.3182410 -0.5335685 -1.0241823), wk = 0.0024876 k( 271) = ( 0.3229908 -0.5415322 -1.0394686), wk = 0.0024876 k( 272) = ( 0.3277407 -0.5494959 -1.0547549), wk = 0.0024876 k( 273) = ( 0.3324905 -0.5574596 -1.0700412), wk = 0.0024876 k( 274) = ( 0.3372404 -0.5654233 -1.0853276), wk = 0.0024876 k( 275) = ( 0.3419903 -0.5733870 -1.1006138), wk = 0.0024876 k( 276) = ( 0.6580097 -0.4356007 -1.0170330), wk = 0.0024876 k( 277) = ( 0.6533624 -0.4187364 -1.0170330), wk = 0.0024876 k( 278) = ( 0.6487150 -0.4018721 -1.0170330), wk = 0.0024876 k( 279) = ( 0.6440677 -0.3850077 -1.0170330), wk = 0.0024876 k( 280) = ( 0.6394203 -0.3681434 -1.0170330), wk = 0.0024876 k( 281) = ( 0.6347730 -0.3512791 -1.0170330), wk = 0.0024876 k( 282) = ( 0.6301257 -0.3344148 -1.0170330), wk = 0.0024876 k( 283) = ( 0.6254783 -0.3175504 -1.0170330), wk = 0.0024876 k( 284) = ( 0.6208310 -0.3006861 -1.0170330), wk = 0.0024876 k( 285) = ( 0.6161836 -0.2838218 -1.0170330), wk = 0.0024876 k( 286) = ( 0.6115363 -0.2669575 -1.0170330), wk = 0.0024876 k( 287) = ( 0.6068889 -0.2500931 -1.0170330), wk = 0.0024876 k( 288) = ( 0.6022416 -0.2332288 -1.0170330), wk = 0.0024876 k( 289) = ( 0.5975942 -0.2163645 -1.0170330), wk = 0.0024876 k( 290) = ( 0.5929469 -0.1995002 -1.0170330), wk = 0.0024876 k( 291) = ( 0.5882996 -0.1826359 -1.0170330), wk = 0.0024876 k( 292) = ( 0.5836522 -0.1657715 -1.0170330), wk = 0.0024876 k( 293) = ( 0.5790049 -0.1489072 -1.0170330), wk = 0.0024876 k( 294) = ( 0.5743575 -0.1320429 -1.0170330), wk = 0.0024876 k( 295) = ( 0.5697102 -0.1151786 -1.0170330), wk = 0.0024876 k( 296) = ( 0.5650628 -0.0983143 -1.0170330), wk = 0.0024876 k( 297) = ( 0.5604155 -0.0814499 -1.0170330), wk = 0.0024876 k( 298) = ( 0.5557681 -0.0645856 -1.0170330), wk = 0.0024876 k( 299) = ( 0.5511208 -0.0477213 -1.0170330), wk = 0.0024876 k( 300) = ( 0.5464735 -0.0308570 -1.0170330), wk = 0.0024876 k( 301) = ( 0.5418261 -0.0139926 -1.0170330), wk = 0.0024876 k( 302) = ( 0.5371788 0.0028717 -1.0170330), wk = 0.0024876 k( 303) = ( 0.5325314 0.0197360 -1.0170330), wk = 0.0024876 k( 304) = ( 0.5278841 0.0366003 -1.0170330), wk = 0.0024876 k( 305) = ( 0.5232367 0.0534647 -1.0170330), wk = 0.0024876 k( 306) = ( 0.5185894 0.0703290 -1.0170330), wk = 0.0024876 k( 307) = ( 0.5139420 0.0871933 -1.0170330), wk = 0.0024876 k( 308) = ( 0.5092947 0.1040576 -1.0170330), wk = 0.0024876 k( 309) = ( 0.5046473 0.1209220 -1.0170330), wk = 0.0024876 k( 310) = ( 0.5000000 0.1377863 -1.0170330), wk = 0.0024876 k( 311) = ( 0.5000000 0.1377863 -1.0170330), wk = 0.0024876 k( 312) = ( 0.5143645 0.1417448 -1.0094347), wk = 0.0024876 k( 313) = ( 0.5287290 0.1457032 -1.0018364), wk = 0.0024876 k( 314) = ( 0.5430936 0.1496617 -0.9942382), wk = 0.0024876 k( 315) = ( 0.5574581 0.1536202 -0.9866399), wk = 0.0024876 k( 316) = ( 0.5718226 0.1575786 -0.9790417), wk = 0.0024876 k( 317) = ( 0.5861871 0.1615371 -0.9714434), wk = 0.0024876 k( 318) = ( 0.6005516 0.1654956 -0.9638451), wk = 0.0024876 k( 319) = ( 0.6149162 0.1694540 -0.9562469), wk = 0.0024876 k( 320) = ( 0.6292807 0.1734125 -0.9486486), wk = 0.0024876 k( 321) = ( 0.6436452 0.1773710 -0.9410504), wk = 0.0024876 k( 322) = ( 0.6580097 0.1813294 -0.9334521), wk = 0.0024876 k( 323) = ( 0.6580097 0.1813294 -0.9334521), wk = 0.0024876 k( 324) = ( 0.6552854 0.1805787 -0.9159170), wk = 0.0024876 k( 325) = ( 0.6525611 0.1798279 -0.8983820), wk = 0.0024876 k( 326) = ( 0.6498368 0.1790772 -0.8808470), wk = 0.0024876 k( 327) = ( 0.6471125 0.1783265 -0.8633119), wk = 0.0024876 k( 328) = ( 0.6443882 0.1775757 -0.8457769), wk = 0.0024876 k( 329) = ( 0.6416639 0.1768250 -0.8282418), wk = 0.0024876 k( 330) = ( 0.6389396 0.1760742 -0.8107067), wk = 0.0024876 k( 331) = ( 0.6362153 0.1753235 -0.7931717), wk = 0.0024876 k( 332) = ( 0.6334910 0.1745727 -0.7756366), wk = 0.0024876 k( 333) = ( 0.6307667 0.1738220 -0.7581016), wk = 0.0024876 k( 334) = ( 0.6280424 0.1730712 -0.7405665), wk = 0.0024876 k( 335) = ( 0.6253181 0.1723205 -0.7230315), wk = 0.0024876 k( 336) = ( 0.6225937 0.1715698 -0.7054964), wk = 0.0024876 k( 337) = ( 0.6198695 0.1708190 -0.6879614), wk = 0.0024876 k( 338) = ( 0.6171451 0.1700683 -0.6704263), wk = 0.0024876 k( 339) = ( 0.6144208 0.1693175 -0.6528913), wk = 0.0024876 k( 340) = ( 0.6116965 0.1685668 -0.6353562), wk = 0.0024876 k( 341) = ( 0.6089722 0.1678160 -0.6178212), wk = 0.0024876 k( 342) = ( 0.6062479 0.1670653 -0.6002861), wk = 0.0024876 k( 343) = ( 0.6035236 0.1663146 -0.5827511), wk = 0.0024876 k( 344) = ( 0.6007993 0.1655638 -0.5652160), wk = 0.0024876 k( 345) = ( 0.5980750 0.1648131 -0.5476810), wk = 0.0024876 k( 346) = ( 0.5953507 0.1640623 -0.5301459), wk = 0.0024876 k( 347) = ( 0.5926264 0.1633116 -0.5126109), wk = 0.0024876 k( 348) = ( 0.5899021 0.1625608 -0.4950758), wk = 0.0024876 k( 349) = ( 0.5871778 0.1618101 -0.4775408), wk = 0.0024876 k( 350) = ( 0.5844535 0.1610593 -0.4600057), wk = 0.0024876 k( 351) = ( 0.5817292 0.1603086 -0.4424707), wk = 0.0024876 k( 352) = ( 0.5790049 0.1595579 -0.4249356), wk = 0.0024876 k( 353) = ( 0.5762806 0.1588071 -0.4074006), wk = 0.0024876 k( 354) = ( 0.5735562 0.1580564 -0.3898655), wk = 0.0024876 k( 355) = ( 0.5708319 0.1573056 -0.3723305), wk = 0.0024876 k( 356) = ( 0.5681076 0.1565549 -0.3547954), wk = 0.0024876 k( 357) = ( 0.5653833 0.1558041 -0.3372603), wk = 0.0024876 k( 358) = ( 0.5626590 0.1550534 -0.3197253), wk = 0.0024876 k( 359) = ( 0.5599347 0.1543026 -0.3021902), wk = 0.0024876 k( 360) = ( 0.5572104 0.1535519 -0.2846552), wk = 0.0024876 k( 361) = ( 0.5544861 0.1528012 -0.2671201), wk = 0.0024876 k( 362) = ( 0.5517618 0.1520504 -0.2495851), wk = 0.0024876 k( 363) = ( 0.5490375 0.1512997 -0.2320500), wk = 0.0024876 k( 364) = ( 0.5463132 0.1505489 -0.2145150), wk = 0.0024876 k( 365) = ( 0.5435889 0.1497982 -0.1969799), wk = 0.0024876 k( 366) = ( 0.5408646 0.1490474 -0.1794449), wk = 0.0024876 k( 367) = ( 0.5381403 0.1482967 -0.1619098), wk = 0.0024876 k( 368) = ( 0.5354160 0.1475460 -0.1443748), wk = 0.0024876 k( 369) = ( 0.5326917 0.1467952 -0.1268397), wk = 0.0024876 k( 370) = ( 0.5299674 0.1460445 -0.1093047), wk = 0.0024876 k( 371) = ( 0.5272431 0.1452937 -0.0917696), wk = 0.0024876 k( 372) = ( 0.5245188 0.1445430 -0.0742346), wk = 0.0024876 k( 373) = ( 0.5217944 0.1437922 -0.0566995), wk = 0.0024876 k( 374) = ( 0.5190701 0.1430415 -0.0391645), wk = 0.0024876 k( 375) = ( 0.5163458 0.1422907 -0.0216294), wk = 0.0024876 k( 376) = ( 0.5136215 0.1415400 -0.0040944), wk = 0.0024876 k( 377) = ( 0.5108972 0.1407893 0.0134407), wk = 0.0024876 k( 378) = ( 0.5081729 0.1400385 0.0309757), wk = 0.0024876 k( 379) = ( 0.5054486 0.1392878 0.0485108), wk = 0.0024876 k( 380) = ( 0.5027243 0.1385370 0.0660458), wk = 0.0024876 k( 381) = ( 0.5000000 0.1377863 0.0835809), wk = 0.0024876 k( 382) = ( 0.5000000 -0.8383089 -0.5085165), wk = 0.0024876 k( 383) = ( 0.5158010 -0.8314196 -0.5043374), wk = 0.0024876 k( 384) = ( 0.5316019 -0.8245303 -0.5001584), wk = 0.0024876 k( 385) = ( 0.5474029 -0.8176410 -0.4959794), wk = 0.0024876 k( 386) = ( 0.5632039 -0.8107517 -0.4918003), wk = 0.0024876 k( 387) = ( 0.5790049 -0.8038623 -0.4876213), wk = 0.0024876 k( 388) = ( 0.5948058 -0.7969730 -0.4834422), wk = 0.0024876 k( 389) = ( 0.6106068 -0.7900837 -0.4792632), wk = 0.0024876 k( 390) = ( 0.6264078 -0.7831944 -0.4750841), wk = 0.0024876 k( 391) = ( 0.6422087 -0.7763051 -0.4709051), wk = 0.0024876 k( 392) = ( 0.6580097 -0.7694158 -0.4667260), wk = 0.0024876 k( 393) = ( 0.6738107 -0.7625265 -0.4625470), wk = 0.0024876 k( 394) = ( 0.6896117 -0.7556372 -0.4583680), wk = 0.0024876 k( 395) = ( 0.7054126 -0.7487478 -0.4541889), wk = 0.0024876 k( 396) = ( 0.7212136 -0.7418585 -0.4500099), wk = 0.0024876 k( 397) = ( 0.7370146 -0.7349692 -0.4458308), wk = 0.0024876 k( 398) = ( 0.7528156 -0.7280799 -0.4416518), wk = 0.0024876 k( 399) = ( 0.7686165 -0.7211906 -0.4374727), wk = 0.0024876 k( 400) = ( 0.7844175 -0.7143013 -0.4332937), wk = 0.0024876 k( 401) = ( 0.8002185 -0.7074120 -0.4291147), wk = 0.0024876 k( 402) = ( 0.8160194 -0.7005226 -0.4249356), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0080645 -0.0000000 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0024876 k( 4) = ( 0.0241936 -0.0000000 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0024876 k( 6) = ( 0.0403226 -0.0000000 0.0000000), wk = 0.0024876 k( 7) = ( 0.0483871 -0.0000000 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0564516 -0.0000000 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0725806 0.0000000 0.0000000), wk = 0.0024876 k( 11) = ( 0.0806452 -0.0000000 0.0000000), wk = 0.0024876 k( 12) = ( 0.0887097 0.0000000 0.0000000), wk = 0.0024876 k( 13) = ( 0.0967742 -0.0000000 0.0000000), wk = 0.0024876 k( 14) = ( 0.1048387 -0.0000000 -0.0000000), wk = 0.0024876 k( 15) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1209677 -0.0000000 0.0000000), wk = 0.0024876 k( 17) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1370968 0.0000000 0.0000000), wk = 0.0024876 k( 19) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0024876 k( 20) = ( 0.1532258 0.0000000 0.0000000), wk = 0.0024876 k( 21) = ( 0.1612903 -0.0000000 0.0000000), wk = 0.0024876 k( 22) = ( 0.1693548 -0.0000000 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1774194 -0.0000000 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1854839 0.0000000 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1935484 -0.0000000 0.0000000), wk = 0.0024876 k( 26) = ( 0.2016129 -0.0000000 0.0000000), wk = 0.0024876 k( 27) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0024876 k( 28) = ( 0.2177419 -0.0000000 -0.0000000), wk = 0.0024876 k( 29) = ( 0.2258064 0.0000000 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2338710 -0.0000000 -0.0000000), wk = 0.0024876 k( 31) = ( 0.2419355 -0.0000000 0.0000000), wk = 0.0024876 k( 32) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2661290 -0.0000000 0.0000000), wk = 0.0024876 k( 35) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0024876 k( 36) = ( 0.2822581 0.0000000 0.0000000), wk = 0.0024876 k( 37) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0024876 k( 38) = ( 0.2983871 0.0000000 0.0000000), wk = 0.0024876 k( 39) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0024876 k( 40) = ( 0.3145161 -0.0000000 -0.0000000), wk = 0.0024876 k( 41) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0024876 k( 42) = ( 0.3306452 -0.0000000 0.0000000), wk = 0.0024876 k( 43) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0024876 k( 44) = ( 0.3467742 0.0000000 0.0000000), wk = 0.0024876 k( 45) = ( 0.3548387 -0.0000000 0.0000000), wk = 0.0024876 k( 46) = ( 0.3629032 -0.0000000 0.0000000), wk = 0.0024876 k( 47) = ( 0.3709677 0.0000000 -0.0000000), wk = 0.0024876 k( 48) = ( 0.3790323 0.0000000 0.0000000), wk = 0.0024876 k( 49) = ( 0.3870968 0.0000000 -0.0000000), wk = 0.0024876 k( 50) = ( 0.3951613 -0.0000000 -0.0000000), wk = 0.0024876 k( 51) = ( 0.4032258 0.0000000 -0.0000000), wk = 0.0024876 k( 52) = ( 0.4112903 0.0000000 0.0000000), wk = 0.0024876 k( 53) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0024876 k( 54) = ( 0.4274193 -0.0000000 0.0000000), wk = 0.0024876 k( 55) = ( 0.4354839 0.0000000 0.0000000), wk = 0.0024876 k( 56) = ( 0.4435484 -0.0000000 -0.0000000), wk = 0.0024876 k( 57) = ( 0.4516129 0.0000000 -0.0000000), wk = 0.0024876 k( 58) = ( 0.4596774 -0.0000000 0.0000000), wk = 0.0024876 k( 59) = ( 0.4677419 -0.0000000 -0.0000000), wk = 0.0024876 k( 60) = ( 0.4758064 0.0000000 -0.0000000), wk = 0.0024876 k( 61) = ( 0.4838710 0.0000000 -0.0000000), wk = 0.0024876 k( 62) = ( 0.4919355 -0.0000000 -0.0000000), wk = 0.0024876 k( 63) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024876 k( 64) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024876 k( 65) = ( 0.5000000 0.0047175 -0.0047175), wk = 0.0024876 k( 66) = ( 0.5000000 0.0094349 -0.0094349), wk = 0.0024876 k( 67) = ( 0.5000000 0.0141524 -0.0141524), wk = 0.0024876 k( 68) = ( 0.5000000 0.0188698 -0.0188698), wk = 0.0024876 k( 69) = ( 0.5000000 0.0235873 -0.0235872), wk = 0.0024876 k( 70) = ( 0.5000000 0.0283047 -0.0283047), wk = 0.0024876 k( 71) = ( 0.5000000 0.0330222 -0.0330221), wk = 0.0024876 k( 72) = ( 0.5000000 0.0377396 -0.0377396), wk = 0.0024876 k( 73) = ( 0.5000000 0.0424570 -0.0424570), wk = 0.0024876 k( 74) = ( 0.5000000 0.0471745 -0.0471745), wk = 0.0024876 k( 75) = ( 0.5000000 0.0518920 -0.0518919), wk = 0.0024876 k( 76) = ( 0.5000000 0.0566094 -0.0566094), wk = 0.0024876 k( 77) = ( 0.5000000 0.0613268 -0.0613269), wk = 0.0024876 k( 78) = ( 0.5000000 0.0660443 -0.0660443), wk = 0.0024876 k( 79) = ( 0.5000000 0.0707618 -0.0707617), wk = 0.0024876 k( 80) = ( 0.5000000 0.0754792 -0.0754792), wk = 0.0024876 k( 81) = ( 0.5000000 0.0801966 -0.0801967), wk = 0.0024876 k( 82) = ( 0.5000000 0.0849141 -0.0849141), wk = 0.0024876 k( 83) = ( 0.5000000 0.0896316 -0.0896315), wk = 0.0024876 k( 84) = ( 0.5000000 0.0943490 -0.0943490), wk = 0.0024876 k( 85) = ( 0.5000000 0.0990664 -0.0990665), wk = 0.0024876 k( 86) = ( 0.5000000 0.1037839 -0.1037839), wk = 0.0024876 k( 87) = ( 0.5000000 0.1085013 -0.1085014), wk = 0.0024876 k( 88) = ( 0.5000000 0.1132188 -0.1132188), wk = 0.0024876 k( 89) = ( 0.5000000 0.1179362 -0.1179362), wk = 0.0024876 k( 90) = ( 0.5000000 0.1226537 -0.1226537), wk = 0.0024876 k( 91) = ( 0.5000000 0.1273711 -0.1273712), wk = 0.0024876 k( 92) = ( 0.5000000 0.1320886 -0.1320886), wk = 0.0024876 k( 93) = ( 0.5000000 0.1368060 -0.1368061), wk = 0.0024876 k( 94) = ( 0.5000000 0.1415235 -0.1415235), wk = 0.0024876 k( 95) = ( 0.5000000 0.1462410 -0.1462410), wk = 0.0024876 k( 96) = ( 0.5000000 0.1509584 -0.1509584), wk = 0.0024876 k( 97) = ( 0.5000000 0.1556758 -0.1556758), wk = 0.0024876 k( 98) = ( 0.5000000 0.1603933 -0.1603933), wk = 0.0024876 k( 99) = ( 0.5000000 0.1651108 -0.1651108), wk = 0.0024876 k( 100) = ( 0.5000000 0.1698282 -0.1698282), wk = 0.0024876 k( 101) = ( 0.5000000 0.1745456 -0.1745457), wk = 0.0024876 k( 102) = ( 0.5000000 0.1792631 -0.1792631), wk = 0.0024876 k( 103) = ( 0.5000000 0.1839805 -0.1839805), wk = 0.0024876 k( 104) = ( 0.8160194 0.5000000 0.1839806), wk = 0.0024876 k( 105) = ( 0.8113027 0.5000000 0.1886973), wk = 0.0024876 k( 106) = ( 0.8065860 0.5000000 0.1934140), wk = 0.0024876 k( 107) = ( 0.8018693 0.5000000 0.1981307), wk = 0.0024876 k( 108) = ( 0.7971526 0.5000000 0.2028474), wk = 0.0024876 k( 109) = ( 0.7924359 0.5000000 0.2075641), wk = 0.0024876 k( 110) = ( 0.7877192 0.5000000 0.2122808), wk = 0.0024876 k( 111) = ( 0.7830025 0.5000000 0.2169975), wk = 0.0024876 k( 112) = ( 0.7782858 0.5000000 0.2217142), wk = 0.0024876 k( 113) = ( 0.7735691 0.5000000 0.2264309), wk = 0.0024876 k( 114) = ( 0.7688524 0.5000000 0.2311476), wk = 0.0024876 k( 115) = ( 0.7641357 0.5000000 0.2358643), wk = 0.0024876 k( 116) = ( 0.7594190 0.5000000 0.2405811), wk = 0.0024876 k( 117) = ( 0.7547022 0.5000000 0.2452978), wk = 0.0024876 k( 118) = ( 0.7499855 0.5000000 0.2500145), wk = 0.0024876 k( 119) = ( 0.7452688 0.5000000 0.2547312), wk = 0.0024876 k( 120) = ( 0.7405521 0.5000000 0.2594479), wk = 0.0024876 k( 121) = ( 0.7358354 0.5000000 0.2641646), wk = 0.0024876 k( 122) = ( 0.7311187 0.5000000 0.2688813), wk = 0.0024876 k( 123) = ( 0.7264020 0.5000000 0.2735980), wk = 0.0024876 k( 124) = ( 0.7216853 0.5000000 0.2783147), wk = 0.0024876 k( 125) = ( 0.7169686 0.5000000 0.2830314), wk = 0.0024876 k( 126) = ( 0.7122519 0.5000000 0.2877481), wk = 0.0024876 k( 127) = ( 0.7075352 0.5000000 0.2924648), wk = 0.0024876 k( 128) = ( 0.7028184 0.5000000 0.2971816), wk = 0.0024876 k( 129) = ( 0.6981017 0.5000000 0.3018982), wk = 0.0024876 k( 130) = ( 0.6933850 0.5000000 0.3066150), wk = 0.0024876 k( 131) = ( 0.6886683 0.5000000 0.3113317), wk = 0.0024876 k( 132) = ( 0.6839516 0.5000000 0.3160484), wk = 0.0024876 k( 133) = ( 0.6792349 0.5000000 0.3207651), wk = 0.0024876 k( 134) = ( 0.6745182 0.5000000 0.3254818), wk = 0.0024876 k( 135) = ( 0.6698015 0.5000000 0.3301985), wk = 0.0024876 k( 136) = ( 0.6650848 0.5000000 0.3349152), wk = 0.0024876 k( 137) = ( 0.6603681 0.5000000 0.3396319), wk = 0.0024876 k( 138) = ( 0.6556514 0.5000000 0.3443486), wk = 0.0024876 k( 139) = ( 0.6509347 0.5000000 0.3490653), wk = 0.0024876 k( 140) = ( 0.6462180 0.5000000 0.3537820), wk = 0.0024876 k( 141) = ( 0.6415013 0.5000000 0.3584988), wk = 0.0024876 k( 142) = ( 0.6367845 0.5000000 0.3632155), wk = 0.0024876 k( 143) = ( 0.6320678 0.5000000 0.3679322), wk = 0.0024876 k( 144) = ( 0.6273511 0.5000000 0.3726489), wk = 0.0024876 k( 145) = ( 0.6226344 0.5000000 0.3773656), wk = 0.0024876 k( 146) = ( 0.6179177 0.5000000 0.3820823), wk = 0.0024876 k( 147) = ( 0.6132010 0.5000000 0.3867990), wk = 0.0024876 k( 148) = ( 0.6084843 0.5000000 0.3915157), wk = 0.0024876 k( 149) = ( 0.6037676 0.5000000 0.3962324), wk = 0.0024876 k( 150) = ( 0.5990509 0.5000000 0.4009491), wk = 0.0024876 k( 151) = ( 0.5943342 0.5000000 0.4056658), wk = 0.0024876 k( 152) = ( 0.5896175 0.5000000 0.4103825), wk = 0.0024876 k( 153) = ( 0.5849007 0.5000000 0.4150992), wk = 0.0024876 k( 154) = ( 0.5801840 0.5000000 0.4198160), wk = 0.0024876 k( 155) = ( 0.5754673 0.5000000 0.4245327), wk = 0.0024876 k( 156) = ( 0.5707506 0.5000000 0.4292494), wk = 0.0024876 k( 157) = ( 0.5660339 0.5000000 0.4339661), wk = 0.0024876 k( 158) = ( 0.5613172 0.5000000 0.4386828), wk = 0.0024876 k( 159) = ( 0.5566005 0.5000000 0.4433995), wk = 0.0024876 k( 160) = ( 0.5518838 0.5000000 0.4481162), wk = 0.0024876 k( 161) = ( 0.5471671 0.5000000 0.4528329), wk = 0.0024876 k( 162) = ( 0.5424504 0.5000000 0.4575496), wk = 0.0024876 k( 163) = ( 0.5377337 0.5000000 0.4622663), wk = 0.0024876 k( 164) = ( 0.5330170 0.5000000 0.4669830), wk = 0.0024876 k( 165) = ( 0.5283003 0.5000000 0.4716998), wk = 0.0024876 k( 166) = ( 0.5235835 0.5000000 0.4764165), wk = 0.0024876 k( 167) = ( 0.5188668 0.5000000 0.4811332), wk = 0.0024876 k( 168) = ( 0.5141501 0.5000000 0.4858499), wk = 0.0024876 k( 169) = ( 0.5094334 0.5000000 0.4905666), wk = 0.0024876 k( 170) = ( 0.5047167 0.5000000 0.4952833), wk = 0.0024876 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 173) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0024876 k( 174) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0024876 k( 175) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0024876 k( 176) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0024876 k( 177) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024876 k( 178) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0024876 k( 179) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0024876 k( 180) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0024876 k( 181) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0024876 k( 182) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024876 k( 183) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0024876 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0024876 k( 185) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0024876 k( 186) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0024876 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024876 k( 188) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0024876 k( 189) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0024876 k( 190) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0024876 k( 191) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0024876 k( 192) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024876 k( 193) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0024876 k( 194) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0024876 k( 195) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0024876 k( 196) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0024876 k( 197) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024876 k( 198) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0024876 k( 199) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0024876 k( 200) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0024876 k( 201) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 204) = ( 0.0047499 -0.0000000 -0.0047499), wk = 0.0024876 k( 205) = ( 0.0094997 0.0000000 -0.0094997), wk = 0.0024876 k( 206) = ( 0.0142496 -0.0000000 -0.0142496), wk = 0.0024876 k( 207) = ( 0.0189995 0.0000000 -0.0189995), wk = 0.0024876 k( 208) = ( 0.0237493 -0.0000000 -0.0237493), wk = 0.0024876 k( 209) = ( 0.0284992 -0.0000000 -0.0284992), wk = 0.0024876 k( 210) = ( 0.0332491 -0.0000000 -0.0332491), wk = 0.0024876 k( 211) = ( 0.0379989 0.0000000 -0.0379989), wk = 0.0024876 k( 212) = ( 0.0427488 -0.0000000 -0.0427488), wk = 0.0024876 k( 213) = ( 0.0474987 -0.0000000 -0.0474987), wk = 0.0024876 k( 214) = ( 0.0522485 -0.0000000 -0.0522485), wk = 0.0024876 k( 215) = ( 0.0569984 -0.0000000 -0.0569984), wk = 0.0024876 k( 216) = ( 0.0617482 0.0000000 -0.0617482), wk = 0.0024876 k( 217) = ( 0.0664981 -0.0000000 -0.0664981), wk = 0.0024876 k( 218) = ( 0.0712480 -0.0000000 -0.0712480), wk = 0.0024876 k( 219) = ( 0.0759978 0.0000000 -0.0759978), wk = 0.0024876 k( 220) = ( 0.0807477 -0.0000000 -0.0807477), wk = 0.0024876 k( 221) = ( 0.0854976 -0.0000000 -0.0854976), wk = 0.0024876 k( 222) = ( 0.0902474 -0.0000000 -0.0902474), wk = 0.0024876 k( 223) = ( 0.0949973 -0.0000000 -0.0949973), wk = 0.0024876 k( 224) = ( 0.0997472 -0.0000000 -0.0997472), wk = 0.0024876 k( 225) = ( 0.1044970 0.0000000 -0.1044970), wk = 0.0024876 k( 226) = ( 0.1092469 0.0000000 -0.1092469), wk = 0.0024876 k( 227) = ( 0.1139968 -0.0000000 -0.1139968), wk = 0.0024876 k( 228) = ( 0.1187466 -0.0000000 -0.1187466), wk = 0.0024876 k( 229) = ( 0.1234965 -0.0000000 -0.1234965), wk = 0.0024876 k( 230) = ( 0.1282464 -0.0000000 -0.1282463), wk = 0.0024876 k( 231) = ( 0.1329962 -0.0000000 -0.1329962), wk = 0.0024876 k( 232) = ( 0.1377461 -0.0000000 -0.1377461), wk = 0.0024876 k( 233) = ( 0.1424960 0.0000000 -0.1424959), wk = 0.0024876 k( 234) = ( 0.1472458 0.0000000 -0.1472458), wk = 0.0024876 k( 235) = ( 0.1519957 0.0000000 -0.1519957), wk = 0.0024876 k( 236) = ( 0.1567455 -0.0000000 -0.1567455), wk = 0.0024876 k( 237) = ( 0.1614954 -0.0000000 -0.1614954), wk = 0.0024876 k( 238) = ( 0.1662453 0.0000000 -0.1662453), wk = 0.0024876 k( 239) = ( 0.1709951 -0.0000000 -0.1709951), wk = 0.0024876 k( 240) = ( 0.1757450 0.0000000 -0.1757450), wk = 0.0024876 k( 241) = ( 0.1804949 -0.0000000 -0.1804949), wk = 0.0024876 k( 242) = ( 0.1852447 -0.0000000 -0.1852447), wk = 0.0024876 k( 243) = ( 0.1899946 -0.0000000 -0.1899946), wk = 0.0024876 k( 244) = ( 0.1947445 -0.0000000 -0.1947445), wk = 0.0024876 k( 245) = ( 0.1994943 0.0000000 -0.1994943), wk = 0.0024876 k( 246) = ( 0.2042442 0.0000000 -0.2042442), wk = 0.0024876 k( 247) = ( 0.2089941 0.0000000 -0.2089941), wk = 0.0024876 k( 248) = ( 0.2137439 0.0000000 -0.2137439), wk = 0.0024876 k( 249) = ( 0.2184938 -0.0000000 -0.2184938), wk = 0.0024876 k( 250) = ( 0.2232436 -0.0000000 -0.2232436), wk = 0.0024876 k( 251) = ( 0.2279935 -0.0000000 -0.2279935), wk = 0.0024876 k( 252) = ( 0.2327434 -0.0000000 -0.2327434), wk = 0.0024876 k( 253) = ( 0.2374932 0.0000000 -0.2374933), wk = 0.0024876 k( 254) = ( 0.2422431 -0.0000000 -0.2422431), wk = 0.0024876 k( 255) = ( 0.2469930 -0.0000000 -0.2469930), wk = 0.0024876 k( 256) = ( 0.2517428 0.0000000 -0.2517428), wk = 0.0024876 k( 257) = ( 0.2564927 -0.0000000 -0.2564927), wk = 0.0024876 k( 258) = ( 0.2612426 -0.0000000 -0.2612426), wk = 0.0024876 k( 259) = ( 0.2659924 -0.0000000 -0.2659924), wk = 0.0024876 k( 260) = ( 0.2707423 -0.0000000 -0.2707423), wk = 0.0024876 k( 261) = ( 0.2754922 0.0000000 -0.2754922), wk = 0.0024876 k( 262) = ( 0.2802420 0.0000000 -0.2802420), wk = 0.0024876 k( 263) = ( 0.2849919 0.0000000 -0.2849919), wk = 0.0024876 k( 264) = ( 0.2897418 -0.0000000 -0.2897418), wk = 0.0024876 k( 265) = ( 0.2944916 -0.0000000 -0.2944916), wk = 0.0024876 k( 266) = ( 0.2992415 0.0000000 -0.2992415), wk = 0.0024876 k( 267) = ( 0.3039914 0.0000000 -0.3039914), wk = 0.0024876 k( 268) = ( 0.3087412 0.0000000 -0.3087412), wk = 0.0024876 k( 269) = ( 0.3134911 -0.0000000 -0.3134911), wk = 0.0024876 k( 270) = ( 0.3182410 -0.0000000 -0.3182410), wk = 0.0024876 k( 271) = ( 0.3229908 0.0000000 -0.3229908), wk = 0.0024876 k( 272) = ( 0.3277407 -0.0000000 -0.3277407), wk = 0.0024876 k( 273) = ( 0.3324905 0.0000000 -0.3324905), wk = 0.0024876 k( 274) = ( 0.3372404 0.0000000 -0.3372404), wk = 0.0024876 k( 275) = ( 0.3419903 -0.0000000 -0.3419903), wk = 0.0024876 k( 276) = ( 0.6580097 0.3419903 0.0000000), wk = 0.0024876 k( 277) = ( 0.6533624 0.3466376 -0.0000000), wk = 0.0024876 k( 278) = ( 0.6487150 0.3512850 -0.0000000), wk = 0.0024876 k( 279) = ( 0.6440677 0.3559323 0.0000000), wk = 0.0024876 k( 280) = ( 0.6394203 0.3605797 0.0000000), wk = 0.0024876 k( 281) = ( 0.6347730 0.3652270 -0.0000000), wk = 0.0024876 k( 282) = ( 0.6301257 0.3698743 -0.0000000), wk = 0.0024876 k( 283) = ( 0.6254783 0.3745217 -0.0000000), wk = 0.0024876 k( 284) = ( 0.6208310 0.3791690 -0.0000000), wk = 0.0024876 k( 285) = ( 0.6161836 0.3838164 -0.0000000), wk = 0.0024876 k( 286) = ( 0.6115363 0.3884637 -0.0000000), wk = 0.0024876 k( 287) = ( 0.6068889 0.3931111 -0.0000000), wk = 0.0024876 k( 288) = ( 0.6022416 0.3977584 -0.0000000), wk = 0.0024876 k( 289) = ( 0.5975942 0.4024058 0.0000000), wk = 0.0024876 k( 290) = ( 0.5929469 0.4070531 -0.0000000), wk = 0.0024876 k( 291) = ( 0.5882996 0.4117004 -0.0000000), wk = 0.0024876 k( 292) = ( 0.5836522 0.4163478 -0.0000000), wk = 0.0024876 k( 293) = ( 0.5790049 0.4209951 0.0000000), wk = 0.0024876 k( 294) = ( 0.5743575 0.4256425 0.0000000), wk = 0.0024876 k( 295) = ( 0.5697102 0.4302898 -0.0000000), wk = 0.0024876 k( 296) = ( 0.5650628 0.4349372 -0.0000000), wk = 0.0024876 k( 297) = ( 0.5604155 0.4395845 0.0000000), wk = 0.0024876 k( 298) = ( 0.5557681 0.4442319 0.0000000), wk = 0.0024876 k( 299) = ( 0.5511208 0.4488792 0.0000000), wk = 0.0024876 k( 300) = ( 0.5464735 0.4535266 0.0000000), wk = 0.0024876 k( 301) = ( 0.5418261 0.4581739 -0.0000000), wk = 0.0024876 k( 302) = ( 0.5371788 0.4628212 -0.0000000), wk = 0.0024876 k( 303) = ( 0.5325314 0.4674686 -0.0000000), wk = 0.0024876 k( 304) = ( 0.5278841 0.4721159 -0.0000000), wk = 0.0024876 k( 305) = ( 0.5232367 0.4767633 0.0000000), wk = 0.0024876 k( 306) = ( 0.5185894 0.4814106 0.0000000), wk = 0.0024876 k( 307) = ( 0.5139420 0.4860580 -0.0000000), wk = 0.0024876 k( 308) = ( 0.5092947 0.4907053 -0.0000000), wk = 0.0024876 k( 309) = ( 0.5046473 0.4953527 0.0000000), wk = 0.0024876 k( 310) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 312) = ( 0.5143645 0.5143645 0.0167255), wk = 0.0024876 k( 313) = ( 0.5287290 0.5287290 0.0334510), wk = 0.0024876 k( 314) = ( 0.5430936 0.5430936 0.0501765), wk = 0.0024876 k( 315) = ( 0.5574581 0.5574581 0.0669020), wk = 0.0024876 k( 316) = ( 0.5718226 0.5718226 0.0836275), wk = 0.0024876 k( 317) = ( 0.5861871 0.5861871 0.1003530), wk = 0.0024876 k( 318) = ( 0.6005516 0.6005516 0.1170785), wk = 0.0024876 k( 319) = ( 0.6149162 0.6149162 0.1338040), wk = 0.0024876 k( 320) = ( 0.6292807 0.6292807 0.1505295), wk = 0.0024876 k( 321) = ( 0.6436452 0.6436452 0.1672550), wk = 0.0024876 k( 322) = ( 0.6580097 0.6580097 0.1839806), wk = 0.0024876 k( 323) = ( 0.6580097 0.6580097 0.1839806), wk = 0.0024876 k( 324) = ( 0.6552854 0.6552854 0.1894292), wk = 0.0024876 k( 325) = ( 0.6525611 0.6525611 0.1948778), wk = 0.0024876 k( 326) = ( 0.6498368 0.6498368 0.2003264), wk = 0.0024876 k( 327) = ( 0.6471125 0.6471125 0.2057750), wk = 0.0024876 k( 328) = ( 0.6443882 0.6443882 0.2112236), wk = 0.0024876 k( 329) = ( 0.6416639 0.6416639 0.2166722), wk = 0.0024876 k( 330) = ( 0.6389396 0.6389396 0.2221208), wk = 0.0024876 k( 331) = ( 0.6362153 0.6362153 0.2275694), wk = 0.0024876 k( 332) = ( 0.6334910 0.6334910 0.2330180), wk = 0.0024876 k( 333) = ( 0.6307667 0.6307667 0.2384667), wk = 0.0024876 k( 334) = ( 0.6280424 0.6280424 0.2439153), wk = 0.0024876 k( 335) = ( 0.6253181 0.6253181 0.2493639), wk = 0.0024876 k( 336) = ( 0.6225937 0.6225937 0.2548125), wk = 0.0024876 k( 337) = ( 0.6198695 0.6198695 0.2602611), wk = 0.0024876 k( 338) = ( 0.6171451 0.6171451 0.2657097), wk = 0.0024876 k( 339) = ( 0.6144208 0.6144208 0.2711583), wk = 0.0024876 k( 340) = ( 0.6116965 0.6116965 0.2766069), wk = 0.0024876 k( 341) = ( 0.6089722 0.6089722 0.2820556), wk = 0.0024876 k( 342) = ( 0.6062479 0.6062479 0.2875042), wk = 0.0024876 k( 343) = ( 0.6035236 0.6035236 0.2929528), wk = 0.0024876 k( 344) = ( 0.6007993 0.6007993 0.2984014), wk = 0.0024876 k( 345) = ( 0.5980750 0.5980750 0.3038500), wk = 0.0024876 k( 346) = ( 0.5953507 0.5953507 0.3092986), wk = 0.0024876 k( 347) = ( 0.5926264 0.5926264 0.3147472), wk = 0.0024876 k( 348) = ( 0.5899021 0.5899021 0.3201958), wk = 0.0024876 k( 349) = ( 0.5871778 0.5871778 0.3256444), wk = 0.0024876 k( 350) = ( 0.5844535 0.5844535 0.3310930), wk = 0.0024876 k( 351) = ( 0.5817292 0.5817292 0.3365417), wk = 0.0024876 k( 352) = ( 0.5790049 0.5790049 0.3419903), wk = 0.0024876 k( 353) = ( 0.5762806 0.5762806 0.3474389), wk = 0.0024876 k( 354) = ( 0.5735562 0.5735563 0.3528875), wk = 0.0024876 k( 355) = ( 0.5708319 0.5708320 0.3583361), wk = 0.0024876 k( 356) = ( 0.5681076 0.5681076 0.3637847), wk = 0.0024876 k( 357) = ( 0.5653833 0.5653833 0.3692333), wk = 0.0024876 k( 358) = ( 0.5626590 0.5626590 0.3746819), wk = 0.0024876 k( 359) = ( 0.5599347 0.5599347 0.3801305), wk = 0.0024876 k( 360) = ( 0.5572104 0.5572104 0.3855792), wk = 0.0024876 k( 361) = ( 0.5544861 0.5544861 0.3910278), wk = 0.0024876 k( 362) = ( 0.5517618 0.5517618 0.3964764), wk = 0.0024876 k( 363) = ( 0.5490375 0.5490375 0.4019250), wk = 0.0024876 k( 364) = ( 0.5463132 0.5463132 0.4073736), wk = 0.0024876 k( 365) = ( 0.5435889 0.5435889 0.4128222), wk = 0.0024876 k( 366) = ( 0.5408646 0.5408646 0.4182708), wk = 0.0024876 k( 367) = ( 0.5381403 0.5381403 0.4237194), wk = 0.0024876 k( 368) = ( 0.5354160 0.5354160 0.4291681), wk = 0.0024876 k( 369) = ( 0.5326917 0.5326917 0.4346167), wk = 0.0024876 k( 370) = ( 0.5299674 0.5299674 0.4400653), wk = 0.0024876 k( 371) = ( 0.5272431 0.5272431 0.4455139), wk = 0.0024876 k( 372) = ( 0.5245188 0.5245188 0.4509625), wk = 0.0024876 k( 373) = ( 0.5217944 0.5217944 0.4564111), wk = 0.0024876 k( 374) = ( 0.5190701 0.5190701 0.4618597), wk = 0.0024876 k( 375) = ( 0.5163458 0.5163458 0.4673083), wk = 0.0024876 k( 376) = ( 0.5136215 0.5136215 0.4727569), wk = 0.0024876 k( 377) = ( 0.5108972 0.5108972 0.4782056), wk = 0.0024876 k( 378) = ( 0.5081729 0.5081729 0.4836542), wk = 0.0024876 k( 379) = ( 0.5054486 0.5054486 0.4891028), wk = 0.0024876 k( 380) = ( 0.5027243 0.5027243 0.4945514), wk = 0.0024876 k( 381) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 382) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024876 k( 383) = ( 0.5158010 0.0170995 0.0170995), wk = 0.0024876 k( 384) = ( 0.5316019 0.0341990 0.0341990), wk = 0.0024876 k( 385) = ( 0.5474029 0.0512985 0.0512985), wk = 0.0024876 k( 386) = ( 0.5632039 0.0683980 0.0683981), wk = 0.0024876 k( 387) = ( 0.5790049 0.0854976 0.0854976), wk = 0.0024876 k( 388) = ( 0.5948058 0.1025971 0.1025971), wk = 0.0024876 k( 389) = ( 0.6106068 0.1196966 0.1196966), wk = 0.0024876 k( 390) = ( 0.6264078 0.1367961 0.1367961), wk = 0.0024876 k( 391) = ( 0.6422087 0.1538956 0.1538956), wk = 0.0024876 k( 392) = ( 0.6580097 0.1709951 0.1709951), wk = 0.0024876 k( 393) = ( 0.6738107 0.1880946 0.1880947), wk = 0.0024876 k( 394) = ( 0.6896117 0.2051942 0.2051942), wk = 0.0024876 k( 395) = ( 0.7054126 0.2222937 0.2222937), wk = 0.0024876 k( 396) = ( 0.7212136 0.2393932 0.2393932), wk = 0.0024876 k( 397) = ( 0.7370146 0.2564927 0.2564927), wk = 0.0024876 k( 398) = ( 0.7528156 0.2735922 0.2735922), wk = 0.0024876 k( 399) = ( 0.7686165 0.2906917 0.2906917), wk = 0.0024876 k( 400) = ( 0.7844175 0.3077912 0.3077913), wk = 0.0024876 k( 401) = ( 0.8002185 0.3248908 0.3248908), wk = 0.0024876 k( 402) = ( 0.8160194 0.3419903 0.3419903), wk = 0.0024876 Dense grid: 77963 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 20903 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 148, 42) NL pseudopotentials 0.09 Mb ( 74, 76) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2167) G-vector shells 0.01 Mb ( 1752) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 148, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./NaVO2.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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.0 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.8 secs Computing kpt #: 28 total cpu time spent up to now is 15.2 secs Computing kpt #: 29 total cpu time spent up to now is 15.6 secs Computing kpt #: 30 total cpu time spent up to now is 16.0 secs Computing kpt #: 31 total cpu time spent up to now is 16.4 secs Computing kpt #: 32 total cpu time spent up to now is 16.8 secs Computing kpt #: 33 total cpu time spent up to now is 17.2 secs Computing kpt #: 34 total cpu time spent up to now is 17.6 secs Computing kpt #: 35 total cpu time spent up to now is 18.0 secs Computing kpt #: 36 total cpu time spent up to now is 18.4 secs Computing kpt #: 37 total cpu time spent up to now is 18.8 secs Computing kpt #: 38 total cpu time spent up to now is 19.2 secs Computing kpt #: 39 total cpu time spent up to now is 19.6 secs Computing kpt #: 40 total cpu time spent up to now is 20.0 secs Computing kpt #: 41 total cpu time spent up to now is 20.4 secs Computing kpt #: 42 total cpu time spent up to now is 20.8 secs Computing kpt #: 43 total cpu time spent up to now is 21.2 secs Computing kpt #: 44 total cpu time spent up to now is 21.6 secs Computing kpt #: 45 total cpu time spent up to now is 22.0 secs Computing kpt #: 46 total cpu time spent up to now is 22.4 secs Computing kpt #: 47 total cpu time spent up to now is 22.8 secs Computing kpt #: 48 total cpu time spent up to now is 23.2 secs Computing kpt #: 49 total cpu time spent up to now is 23.6 secs Computing kpt #: 50 total cpu time spent up to now is 24.0 secs Computing kpt #: 51 total cpu time spent up to now is 24.4 secs Computing kpt #: 52 total cpu time spent up to now is 24.8 secs Computing kpt #: 53 total cpu time spent up to now is 25.2 secs Computing kpt #: 54 total cpu time spent up to now is 25.6 secs Computing kpt #: 55 total cpu time spent up to now is 26.0 secs Computing kpt #: 56 total cpu time spent up to now is 26.4 secs Computing kpt #: 57 total cpu time spent up to now is 26.8 secs Computing kpt #: 58 total cpu time spent up to now is 27.2 secs Computing kpt #: 59 total cpu time spent up to now is 27.6 secs Computing kpt #: 60 total cpu time spent up to now is 28.0 secs Computing kpt #: 61 total cpu time spent up to now is 28.4 secs Computing kpt #: 62 total cpu time spent up to now is 29.0 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 29.8 secs Computing kpt #: 65 total cpu time spent up to now is 30.2 secs Computing kpt #: 66 total cpu time spent up to now is 30.6 secs Computing kpt #: 67 total cpu time spent up to now is 31.0 secs Computing kpt #: 68 total cpu time spent up to now is 31.3 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 32.1 secs Computing kpt #: 71 total cpu time spent up to now is 32.5 secs Computing kpt #: 72 total cpu time spent up to now is 32.9 secs Computing kpt #: 73 total cpu time spent up to now is 33.3 secs Computing kpt #: 74 total cpu time spent up to now is 33.7 secs Computing kpt #: 75 total cpu time spent up to now is 34.1 secs Computing kpt #: 76 total cpu time spent up to now is 34.5 secs Computing kpt #: 77 total cpu time spent up to now is 34.9 secs Computing kpt #: 78 total cpu time spent up to now is 35.3 secs Computing kpt #: 79 total cpu time spent up to now is 35.7 secs Computing kpt #: 80 total cpu time spent up to now is 36.1 secs Computing kpt #: 81 total cpu time spent up to now is 36.5 secs Computing kpt #: 82 total cpu time spent up to now is 36.9 secs Computing kpt #: 83 total cpu time spent up to now is 37.4 secs Computing kpt #: 84 total cpu time spent up to now is 37.7 secs Computing kpt #: 85 total cpu time spent up to now is 38.2 secs Computing kpt #: 86 total cpu time spent up to now is 38.5 secs Computing kpt #: 87 total cpu time spent up to now is 38.9 secs Computing kpt #: 88 total cpu time spent up to now is 39.3 secs Computing kpt #: 89 total cpu time spent up to now is 39.7 secs Computing kpt #: 90 total cpu time spent up to now is 40.1 secs Computing kpt #: 91 total cpu time spent up to now is 40.5 secs Computing kpt #: 92 total cpu time spent up to now is 40.9 secs Computing kpt #: 93 total cpu time spent up to now is 41.2 secs Computing kpt #: 94 total cpu time spent up to now is 41.6 secs Computing kpt #: 95 total cpu time spent up to now is 42.0 secs Computing kpt #: 96 total cpu time spent up to now is 42.4 secs Computing kpt #: 97 total cpu time spent up to now is 42.8 secs Computing kpt #: 98 total cpu time spent up to now is 43.1 secs Computing kpt #: 99 total cpu time spent up to now is 43.5 secs Computing kpt #: 100 total cpu time spent up to now is 43.8 secs Computing kpt #: 101 total cpu time spent up to now is 44.2 secs Computing kpt #: 102 total cpu time spent up to now is 44.6 secs Computing kpt #: 103 total cpu time spent up to now is 45.0 secs Computing kpt #: 104 total cpu time spent up to now is 45.3 secs Computing kpt #: 105 total cpu time spent up to now is 45.7 secs Computing kpt #: 106 total cpu time spent up to now is 46.1 secs Computing kpt #: 107 total cpu time spent up to now is 46.5 secs Computing kpt #: 108 total cpu time spent up to now is 46.8 secs Computing kpt #: 109 total cpu time spent up to now is 47.2 secs Computing kpt #: 110 total cpu time spent up to now is 47.6 secs Computing kpt #: 111 total cpu time spent up to now is 48.0 secs Computing kpt #: 112 total cpu time spent up to now is 48.4 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.2 secs Computing kpt #: 115 total cpu time spent up to now is 49.6 secs Computing kpt #: 116 total cpu time spent up to now is 50.0 secs Computing kpt #: 117 total cpu time spent up to now is 50.4 secs Computing kpt #: 118 total cpu time spent up to now is 50.8 secs Computing kpt #: 119 total cpu time spent up to now is 51.2 secs Computing kpt #: 120 total cpu time spent up to now is 51.6 secs Computing kpt #: 121 total cpu time spent up to now is 52.0 secs Computing kpt #: 122 total cpu time spent up to now is 52.4 secs Computing kpt #: 123 total cpu time spent up to now is 52.8 secs Computing kpt #: 124 total cpu time spent up to now is 53.2 secs Computing kpt #: 125 total cpu time spent up to now is 53.6 secs Computing kpt #: 126 total cpu time spent up to now is 54.0 secs Computing kpt #: 127 total cpu time spent up to now is 54.4 secs Computing kpt #: 128 total cpu time spent up to now is 54.8 secs Computing kpt #: 129 total cpu time spent up to now is 55.2 secs Computing kpt #: 130 total cpu time spent up to now is 55.6 secs Computing kpt #: 131 total cpu time spent up to now is 56.1 secs Computing kpt #: 132 total cpu time spent up to now is 56.5 secs Computing kpt #: 133 total cpu time spent up to now is 56.9 secs Computing kpt #: 134 total cpu time spent up to now is 57.3 secs Computing kpt #: 135 total cpu time spent up to now is 57.7 secs Computing kpt #: 136 total cpu time spent up to now is 58.1 secs Computing kpt #: 137 total cpu time spent up to now is 58.5 secs Computing kpt #: 138 total cpu time spent up to now is 59.6 secs Computing kpt #: 139 total cpu time spent up to now is 60.0 secs Computing kpt #: 140 total cpu time spent up to now is 60.4 secs Computing kpt #: 141 total cpu time spent up to now is 60.8 secs Computing kpt #: 142 total cpu time spent up to now is 61.2 secs Computing kpt #: 143 total cpu time spent up to now is 61.6 secs Computing kpt #: 144 total cpu time spent up to now is 62.0 secs Computing kpt #: 145 total cpu time spent up to now is 62.4 secs Computing kpt #: 146 total cpu time spent up to now is 62.7 secs Computing kpt #: 147 total cpu time spent up to now is 63.1 secs Computing kpt #: 148 total cpu time spent up to now is 63.5 secs Computing kpt #: 149 total cpu time spent up to now is 63.9 secs Computing kpt #: 150 total cpu time spent up to now is 64.3 secs Computing kpt #: 151 total cpu time spent up to now is 64.7 secs Computing kpt #: 152 total cpu time spent up to now is 65.1 secs Computing kpt #: 153 total cpu time spent up to now is 65.5 secs Computing kpt #: 154 total cpu time spent up to now is 65.9 secs Computing kpt #: 155 total cpu time spent up to now is 66.3 secs Computing kpt #: 156 total cpu time spent up to now is 66.7 secs Computing kpt #: 157 total cpu time spent up to now is 67.1 secs Computing kpt #: 158 total cpu time spent up to now is 67.5 secs Computing kpt #: 159 total cpu time spent up to now is 67.8 secs Computing kpt #: 160 total cpu time spent up to now is 68.2 secs Computing kpt #: 161 total cpu time spent up to now is 68.6 secs Computing kpt #: 162 total cpu time spent up to now is 69.0 secs Computing kpt #: 163 total cpu time spent up to now is 69.4 secs Computing kpt #: 164 total cpu time spent up to now is 69.8 secs Computing kpt #: 165 total cpu time spent up to now is 70.2 secs Computing kpt #: 166 total cpu time spent up to now is 70.5 secs Computing kpt #: 167 total cpu time spent up to now is 70.9 secs Computing kpt #: 168 total cpu time spent up to now is 71.3 secs Computing kpt #: 169 total cpu time spent up to now is 71.7 secs Computing kpt #: 170 total cpu time spent up to now is 72.1 secs Computing kpt #: 171 total cpu time spent up to now is 72.4 secs Computing kpt #: 172 total cpu time spent up to now is 72.7 secs Computing kpt #: 173 total cpu time spent up to now is 73.1 secs Computing kpt #: 174 total cpu time spent up to now is 73.4 secs Computing kpt #: 175 total cpu time spent up to now is 73.8 secs Computing kpt #: 176 total cpu time spent up to now is 74.7 secs Computing kpt #: 177 total cpu time spent up to now is 75.0 secs Computing kpt #: 178 total cpu time spent up to now is 75.4 secs Computing kpt #: 179 total cpu time spent up to now is 75.7 secs Computing kpt #: 180 total cpu time spent up to now is 76.1 secs Computing kpt #: 181 total cpu time spent up to now is 76.4 secs Computing kpt #: 182 total cpu time spent up to now is 76.8 secs Computing kpt #: 183 total cpu time spent up to now is 77.1 secs Computing kpt #: 184 total cpu time spent up to now is 77.5 secs Computing kpt #: 185 total cpu time spent up to now is 77.9 secs Computing kpt #: 186 total cpu time spent up to now is 78.3 secs Computing kpt #: 187 total cpu time spent up to now is 78.7 secs Computing kpt #: 188 total cpu time spent up to now is 79.1 secs Computing kpt #: 189 total cpu time spent up to now is 79.5 secs Computing kpt #: 190 total cpu time spent up to now is 79.9 secs Computing kpt #: 191 total cpu time spent up to now is 80.3 secs Computing kpt #: 192 total cpu time spent up to now is 80.7 secs Computing kpt #: 193 total cpu time spent up to now is 81.2 secs Computing kpt #: 194 total cpu time spent up to now is 81.6 secs Computing kpt #: 195 total cpu time spent up to now is 82.0 secs Computing kpt #: 196 total cpu time spent up to now is 82.4 secs Computing kpt #: 197 total cpu time spent up to now is 82.8 secs Computing kpt #: 198 total cpu time spent up to now is 83.3 secs Computing kpt #: 199 total cpu time spent up to now is 83.7 secs Computing kpt #: 200 total cpu time spent up to now is 84.1 secs Computing kpt #: 201 total cpu time spent up to now is 84.5 secs Computing kpt #: 202 total cpu time spent up to now is 84.9 secs Computing kpt #: 203 total cpu time spent up to now is 85.3 secs Computing kpt #: 204 total cpu time spent up to now is 85.7 secs Computing kpt #: 205 total cpu time spent up to now is 86.1 secs Computing kpt #: 206 total cpu time spent up to now is 86.6 secs Computing kpt #: 207 total cpu time spent up to now is 87.0 secs Computing kpt #: 208 total cpu time spent up to now is 87.4 secs Computing kpt #: 209 total cpu time spent up to now is 87.8 secs Computing kpt #: 210 total cpu time spent up to now is 88.3 secs Computing kpt #: 211 total cpu time spent up to now is 88.7 secs Computing kpt #: 212 total cpu time spent up to now is 89.1 secs Computing kpt #: 213 total cpu time spent up to now is 89.5 secs Computing kpt #: 214 total cpu time spent up to now is 90.0 secs Computing kpt #: 215 total cpu time spent up to now is 90.4 secs Computing kpt #: 216 total cpu time spent up to now is 90.8 secs Computing kpt #: 217 total cpu time spent up to now is 91.2 secs Computing kpt #: 218 total cpu time spent up to now is 91.6 secs Computing kpt #: 219 total cpu time spent up to now is 92.1 secs Computing kpt #: 220 total cpu time spent up to now is 92.5 secs Computing kpt #: 221 total cpu time spent up to now is 92.9 secs Computing kpt #: 222 total cpu time spent up to now is 93.3 secs Computing kpt #: 223 total cpu time spent up to now is 93.7 secs Computing kpt #: 224 total cpu time spent up to now is 94.1 secs Computing kpt #: 225 total cpu time spent up to now is 94.6 secs Computing kpt #: 226 total cpu time spent up to now is 95.0 secs Computing kpt #: 227 total cpu time spent up to now is 95.4 secs Computing kpt #: 228 total cpu time spent up to now is 95.8 secs Computing kpt #: 229 total cpu time spent up to now is 96.2 secs Computing kpt #: 230 total cpu time spent up to now is 96.6 secs Computing kpt #: 231 total cpu time spent up to now is 97.0 secs Computing kpt #: 232 total cpu time spent up to now is 97.4 secs Computing kpt #: 233 total cpu time spent up to now is 97.8 secs Computing kpt #: 234 total cpu time spent up to now is 98.2 secs Computing kpt #: 235 total cpu time spent up to now is 98.6 secs Computing kpt #: 236 total cpu time spent up to now is 99.1 secs Computing kpt #: 237 total cpu time spent up to now is 99.5 secs Computing kpt #: 238 total cpu time spent up to now is 99.9 secs Computing kpt #: 239 total cpu time spent up to now is 100.3 secs Computing kpt #: 240 total cpu time spent up to now is 100.7 secs Computing kpt #: 241 total cpu time spent up to now is 101.2 secs Computing kpt #: 242 total cpu time spent up to now is 101.8 secs Computing kpt #: 243 total cpu time spent up to now is 102.4 secs Computing kpt #: 244 total cpu time spent up to now is 102.8 secs Computing kpt #: 245 total cpu time spent up to now is 103.2 secs Computing kpt #: 246 total cpu time spent up to now is 103.6 secs Computing kpt #: 247 total cpu time spent up to now is 104.0 secs Computing kpt #: 248 total cpu time spent up to now is 104.4 secs Computing kpt #: 249 total cpu time spent up to now is 104.8 secs Computing kpt #: 250 total cpu time spent up to now is 105.2 secs Computing kpt #: 251 total cpu time spent up to now is 105.6 secs Computing kpt #: 252 total cpu time spent up to now is 106.0 secs Computing kpt #: 253 total cpu time spent up to now is 106.4 secs Computing kpt #: 254 total cpu time spent up to now is 106.8 secs Computing kpt #: 255 total cpu time spent up to now is 107.2 secs Computing kpt #: 256 total cpu time spent up to now is 107.6 secs Computing kpt #: 257 total cpu time spent up to now is 108.0 secs Computing kpt #: 258 total cpu time spent up to now is 108.4 secs Computing kpt #: 259 total cpu time spent up to now is 108.8 secs Computing kpt #: 260 total cpu time spent up to now is 109.2 secs Computing kpt #: 261 total cpu time spent up to now is 109.6 secs Computing kpt #: 262 total cpu time spent up to now is 110.0 secs Computing kpt #: 263 total cpu time spent up to now is 110.4 secs Computing kpt #: 264 total cpu time spent up to now is 110.7 secs Computing kpt #: 265 total cpu time spent up to now is 111.1 secs Computing kpt #: 266 total cpu time spent up to now is 111.5 secs Computing kpt #: 267 total cpu time spent up to now is 111.9 secs Computing kpt #: 268 total cpu time spent up to now is 112.3 secs Computing kpt #: 269 total cpu time spent up to now is 112.6 secs Computing kpt #: 270 total cpu time spent up to now is 113.0 secs Computing kpt #: 271 total cpu time spent up to now is 113.4 secs Computing kpt #: 272 total cpu time spent up to now is 113.7 secs Computing kpt #: 273 total cpu time spent up to now is 114.1 secs Computing kpt #: 274 total cpu time spent up to now is 114.5 secs Computing kpt #: 275 total cpu time spent up to now is 114.8 secs Computing kpt #: 276 total cpu time spent up to now is 115.2 secs Computing kpt #: 277 total cpu time spent up to now is 115.6 secs Computing kpt #: 278 total cpu time spent up to now is 115.9 secs Computing kpt #: 279 total cpu time spent up to now is 116.3 secs Computing kpt #: 280 total cpu time spent up to now is 116.7 secs Computing kpt #: 281 total cpu time spent up to now is 117.1 secs Computing kpt #: 282 total cpu time spent up to now is 117.4 secs Computing kpt #: 283 total cpu time spent up to now is 117.8 secs Computing kpt #: 284 total cpu time spent up to now is 118.2 secs Computing kpt #: 285 total cpu time spent up to now is 118.6 secs Computing kpt #: 286 total cpu time spent up to now is 119.0 secs Computing kpt #: 287 total cpu time spent up to now is 119.4 secs Computing kpt #: 288 total cpu time spent up to now is 119.8 secs Computing kpt #: 289 total cpu time spent up to now is 120.1 secs Computing kpt #: 290 total cpu time spent up to now is 120.5 secs Computing kpt #: 291 total cpu time spent up to now is 120.9 secs Computing kpt #: 292 total cpu time spent up to now is 121.3 secs Computing kpt #: 293 total cpu time spent up to now is 121.7 secs Computing kpt #: 294 total cpu time spent up to now is 122.1 secs Computing kpt #: 295 total cpu time spent up to now is 122.5 secs Computing kpt #: 296 total cpu time spent up to now is 122.9 secs Computing kpt #: 297 total cpu time spent up to now is 123.3 secs Computing kpt #: 298 total cpu time spent up to now is 123.7 secs Computing kpt #: 299 total cpu time spent up to now is 124.1 secs Computing kpt #: 300 total cpu time spent up to now is 124.5 secs Computing kpt #: 301 total cpu time spent up to now is 124.9 secs Computing kpt #: 302 total cpu time spent up to now is 125.3 secs Computing kpt #: 303 total cpu time spent up to now is 125.7 secs Computing kpt #: 304 total cpu time spent up to now is 126.1 secs Computing kpt #: 305 total cpu time spent up to now is 126.5 secs Computing kpt #: 306 total cpu time spent up to now is 126.9 secs Computing kpt #: 307 total cpu time spent up to now is 127.3 secs Computing kpt #: 308 total cpu time spent up to now is 127.7 secs Computing kpt #: 309 total cpu time spent up to now is 128.1 secs Computing kpt #: 310 total cpu time spent up to now is 128.5 secs Computing kpt #: 311 total cpu time spent up to now is 128.8 secs Computing kpt #: 312 total cpu time spent up to now is 129.2 secs Computing kpt #: 313 total cpu time spent up to now is 129.6 secs Computing kpt #: 314 total cpu time spent up to now is 130.0 secs Computing kpt #: 315 total cpu time spent up to now is 130.4 secs Computing kpt #: 316 total cpu time spent up to now is 130.8 secs Computing kpt #: 317 total cpu time spent up to now is 131.2 secs Computing kpt #: 318 total cpu time spent up to now is 131.6 secs Computing kpt #: 319 total cpu time spent up to now is 132.0 secs Computing kpt #: 320 total cpu time spent up to now is 132.4 secs Computing kpt #: 321 total cpu time spent up to now is 132.8 secs Computing kpt #: 322 total cpu time spent up to now is 133.2 secs Computing kpt #: 323 total cpu time spent up to now is 133.6 secs Computing kpt #: 324 total cpu time spent up to now is 134.0 secs Computing kpt #: 325 total cpu time spent up to now is 134.4 secs Computing kpt #: 326 total cpu time spent up to now is 134.8 secs Computing kpt #: 327 total cpu time spent up to now is 135.1 secs Computing kpt #: 328 total cpu time spent up to now is 135.5 secs Computing kpt #: 329 total cpu time spent up to now is 135.9 secs Computing kpt #: 330 total cpu time spent up to now is 136.3 secs Computing kpt #: 331 total cpu time spent up to now is 136.7 secs Computing kpt #: 332 total cpu time spent up to now is 137.1 secs Computing kpt #: 333 total cpu time spent up to now is 137.5 secs Computing kpt #: 334 total cpu time spent up to now is 137.9 secs Computing kpt #: 335 total cpu time spent up to now is 138.3 secs Computing kpt #: 336 total cpu time spent up to now is 138.7 secs Computing kpt #: 337 total cpu time spent up to now is 139.0 secs Computing kpt #: 338 total cpu time spent up to now is 139.4 secs Computing kpt #: 339 total cpu time spent up to now is 139.8 secs Computing kpt #: 340 total cpu time spent up to now is 140.2 secs Computing kpt #: 341 total cpu time spent up to now is 140.6 secs Computing kpt #: 342 total cpu time spent up to now is 141.0 secs Computing kpt #: 343 total cpu time spent up to now is 141.4 secs Computing kpt #: 344 total cpu time spent up to now is 141.8 secs Computing kpt #: 345 total cpu time spent up to now is 142.2 secs Computing kpt #: 346 total cpu time spent up to now is 142.6 secs Computing kpt #: 347 total cpu time spent up to now is 143.0 secs Computing kpt #: 348 total cpu time spent up to now is 143.4 secs Computing kpt #: 349 total cpu time spent up to now is 143.8 secs Computing kpt #: 350 total cpu time spent up to now is 144.3 secs Computing kpt #: 351 total cpu time spent up to now is 144.7 secs Computing kpt #: 352 total cpu time spent up to now is 145.0 secs Computing kpt #: 353 total cpu time spent up to now is 145.4 secs Computing kpt #: 354 total cpu time spent up to now is 145.8 secs Computing kpt #: 355 total cpu time spent up to now is 146.2 secs Computing kpt #: 356 total cpu time spent up to now is 146.6 secs Computing kpt #: 357 total cpu time spent up to now is 147.0 secs Computing kpt #: 358 total cpu time spent up to now is 147.4 secs Computing kpt #: 359 total cpu time spent up to now is 147.8 secs Computing kpt #: 360 total cpu time spent up to now is 148.1 secs Computing kpt #: 361 total cpu time spent up to now is 148.5 secs Computing kpt #: 362 total cpu time spent up to now is 148.9 secs Computing kpt #: 363 total cpu time spent up to now is 149.3 secs Computing kpt #: 364 total cpu time spent up to now is 149.7 secs Computing kpt #: 365 total cpu time spent up to now is 150.1 secs Computing kpt #: 366 total cpu time spent up to now is 150.5 secs Computing kpt #: 367 total cpu time spent up to now is 150.9 secs Computing kpt #: 368 total cpu time spent up to now is 151.2 secs Computing kpt #: 369 total cpu time spent up to now is 151.6 secs Computing kpt #: 370 total cpu time spent up to now is 152.0 secs Computing kpt #: 371 total cpu time spent up to now is 152.4 secs Computing kpt #: 372 total cpu time spent up to now is 152.8 secs Computing kpt #: 373 total cpu time spent up to now is 153.2 secs Computing kpt #: 374 total cpu time spent up to now is 153.6 secs Computing kpt #: 375 total cpu time spent up to now is 153.9 secs Computing kpt #: 376 total cpu time spent up to now is 154.3 secs Computing kpt #: 377 total cpu time spent up to now is 154.7 secs Computing kpt #: 378 total cpu time spent up to now is 155.1 secs Computing kpt #: 379 total cpu time spent up to now is 155.5 secs Computing kpt #: 380 total cpu time spent up to now is 155.8 secs Computing kpt #: 381 total cpu time spent up to now is 156.2 secs Computing kpt #: 382 total cpu time spent up to now is 156.6 secs Computing kpt #: 383 total cpu time spent up to now is 157.0 secs Computing kpt #: 384 total cpu time spent up to now is 157.4 secs Computing kpt #: 385 total cpu time spent up to now is 157.8 secs Computing kpt #: 386 total cpu time spent up to now is 158.2 secs Computing kpt #: 387 total cpu time spent up to now is 158.6 secs Computing kpt #: 388 total cpu time spent up to now is 159.0 secs Computing kpt #: 389 total cpu time spent up to now is 159.4 secs Computing kpt #: 390 total cpu time spent up to now is 159.8 secs Computing kpt #: 391 total cpu time spent up to now is 160.2 secs Computing kpt #: 392 total cpu time spent up to now is 160.5 secs Computing kpt #: 393 total cpu time spent up to now is 160.9 secs Computing kpt #: 394 total cpu time spent up to now is 161.3 secs Computing kpt #: 395 total cpu time spent up to now is 161.7 secs Computing kpt #: 396 total cpu time spent up to now is 162.1 secs Computing kpt #: 397 total cpu time spent up to now is 162.5 secs Computing kpt #: 398 total cpu time spent up to now is 162.9 secs Computing kpt #: 399 total cpu time spent up to now is 163.3 secs Computing kpt #: 400 total cpu time spent up to now is 163.7 secs Computing kpt #: 401 total cpu time spent up to now is 164.1 secs Computing kpt #: 402 total cpu time spent up to now is 164.5 secs ethr = 2.94E-08, avg # of iterations = 12.6 total cpu time spent up to now is 164.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2619 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5789 -27.5789 -27.5266 -27.5266 -13.0806 -13.0806 -12.8971 -12.8971 -12.8298 -12.8298 -9.0878 -9.0878 -7.7125 -7.7125 3.8596 3.8596 5.5103 5.5103 5.5182 5.5182 7.4783 7.4783 7.8858 7.8858 7.9157 7.9157 11.0274 11.0274 11.0310 11.0310 11.8671 11.8671 13.6335 13.6335 13.9768 13.9768 k = 0.0081-0.0135-0.0082 ( 2623 PWs) bands (ev): -54.0677 -54.0677 -41.0292 -41.0292 -28.3876 -28.3876 -27.5791 -27.5791 -27.5267 -27.5267 -13.0806 -13.0806 -12.8972 -12.8972 -12.8299 -12.8299 -9.0871 -9.0871 -7.7127 -7.7127 3.8607 3.8607 5.5097 5.5097 5.5178 5.5178 7.4793 7.4793 7.8832 7.8832 7.9132 7.9132 11.0282 11.0282 11.0319 11.0319 11.8673 11.8673 13.6365 13.6365 13.9758 13.9758 k = 0.0161-0.0270-0.0164 ( 2623 PWs) bands (ev): -54.0676 -54.0676 -41.0292 -41.0292 -28.3878 -28.3878 -27.5794 -27.5794 -27.5267 -27.5267 -13.0806 -13.0806 -12.8974 -12.8974 -12.8302 -12.8302 -9.0849 -9.0849 -7.7133 -7.7133 3.8639 3.8639 5.5069 5.5069 5.5175 5.5175 7.4823 7.4823 7.8748 7.8748 7.9064 7.9064 11.0301 11.0301 11.0350 11.0350 11.8677 11.8677 13.6454 13.6454 13.9720 13.9720 k = 0.0242-0.0406-0.0246 ( 2626 PWs) bands (ev): -54.0675 -54.0675 -41.0291 -41.0291 -28.3882 -28.3882 -27.5801 -27.5801 -27.5267 -27.5267 -13.0806 -13.0806 -12.8977 -12.8977 -12.8308 -12.8308 -9.0813 -9.0813 -7.7142 -7.7142 3.8693 3.8693 5.5009 5.5009 5.5187 5.5187 7.4874 7.4874 7.8590 7.8590 7.8968 7.8968 11.0325 11.0325 11.0407 11.0407 11.8684 11.8684 13.6599 13.6599 13.9649 13.9649 k = 0.0323-0.0541-0.0328 ( 2626 PWs) bands (ev): -54.0673 -54.0673 -41.0290 -41.0290 -28.3887 -28.3887 -27.5809 -27.5809 -27.5267 -27.5267 -13.0804 -13.0804 -12.8981 -12.8981 -12.8316 -12.8316 -9.0763 -9.0763 -7.7154 -7.7154 3.8768 3.8768 5.4918 5.4918 5.5211 5.5211 7.4942 7.4942 7.8350 7.8350 7.8857 7.8857 11.0355 11.0355 11.0491 11.0491 11.8693 11.8693 13.6794 13.6794 13.9553 13.9553 k = 0.0403-0.0676-0.0410 ( 2628 PWs) bands (ev): -54.0671 -54.0671 -41.0289 -41.0289 -28.3893 -28.3893 -27.5820 -27.5820 -27.5268 -27.5268 -13.0803 -13.0803 -12.8987 -12.8987 -12.8326 -12.8326 -9.0699 -9.0699 -7.7171 -7.7171 3.8864 3.8864 5.4801 5.4801 5.5244 5.5244 7.5027 7.5027 7.8030 7.8030 7.8733 7.8733 11.0390 11.0390 11.0599 11.0599 11.8706 11.8706 13.7028 13.7028 13.9447 13.9447 k = 0.0484-0.0811-0.0492 ( 2628 PWs) bands (ev): -54.0669 -54.0669 -41.0287 -41.0287 -28.3900 -28.3900 -27.5834 -27.5834 -27.5268 -27.5268 -13.0802 -13.0802 -12.8994 -12.8994 -12.8337 -12.8337 -9.0621 -9.0621 -7.7190 -7.7190 3.8981 3.8981 5.4660 5.4660 5.5286 5.5286 7.5127 7.5127 7.7636 7.7636 7.8592 7.8592 11.0429 11.0429 11.0729 11.0729 11.8722 11.8722 13.7278 13.7278 13.9353 13.9353 k = 0.0565-0.0946-0.0574 ( 2631 PWs) bands (ev): -54.0666 -54.0666 -41.0285 -41.0285 -28.3909 -28.3909 -27.5850 -27.5850 -27.5268 -27.5268 -13.0801 -13.0801 -12.9002 -12.9002 -12.8351 -12.8351 -9.0529 -9.0529 -7.7213 -7.7213 3.9119 3.9119 5.4498 5.4498 5.5336 5.5336 7.5238 7.5238 7.7177 7.7177 7.8434 7.8434 11.0470 11.0470 11.0879 11.0879 11.8742 11.8742 13.7500 13.7500 13.9317 13.9317 k = 0.0645-0.1082-0.0656 ( 2631 PWs) bands (ev): -54.0663 -54.0663 -41.0283 -41.0283 -28.3920 -28.3920 -27.5868 -27.5868 -27.5269 -27.5269 -13.0799 -13.0799 -12.9011 -12.9011 -12.8366 -12.8366 -9.0423 -9.0423 -7.7239 -7.7239 3.9277 3.9277 5.4316 5.4316 5.5393 5.5393 7.5357 7.5357 7.6659 7.6659 7.8258 7.8258 11.0513 11.0513 11.1051 11.1051 11.8766 11.8766 13.7626 13.7626 13.9409 13.9409 k = 0.0726-0.1217-0.0738 ( 2627 PWs) bands (ev): -54.0659 -54.0659 -41.0280 -41.0280 -28.3931 -28.3931 -27.5888 -27.5888 -27.5268 -27.5268 -13.0798 -13.0798 -12.9021 -12.9021 -12.8382 -12.8382 -9.0305 -9.0305 -7.7269 -7.7269 3.9455 3.9455 5.4117 5.4117 5.5457 5.5457 7.5467 7.5467 7.6102 7.6102 7.8064 7.8064 11.0556 11.0556 11.1240 11.1240 11.8793 11.8793 13.7607 13.7607 13.9663 13.9663 k = 0.0806-0.1352-0.0820 ( 2627 PWs) bands (ev): -54.0655 -54.0655 -41.0277 -41.0277 -28.3944 -28.3944 -27.5911 -27.5911 -27.5268 -27.5268 -13.0797 -13.0797 -12.9033 -12.9033 -12.8400 -12.8400 -9.0173 -9.0173 -7.7301 -7.7301 3.9653 3.9653 5.3903 5.3903 5.5528 5.5528 7.5344 7.5344 7.5733 7.5733 7.7854 7.7854 11.0597 11.0597 11.1445 11.1445 11.8825 11.8825 13.7464 13.7464 13.9684 13.9684 k = 0.0887-0.1487-0.0902 ( 2627 PWs) bands (ev): -54.0650 -54.0650 -41.0274 -41.0274 -28.3958 -28.3958 -27.5936 -27.5936 -27.5268 -27.5268 -13.0795 -13.0795 -12.9046 -12.9046 -12.8419 -12.8419 -9.0029 -9.0029 -7.7336 -7.7336 3.9869 3.9869 5.3677 5.3677 5.5606 5.5606 7.4724 7.4724 7.5815 7.5815 7.7630 7.7630 11.0635 11.0635 11.1666 11.1666 11.8862 11.8862 13.7244 13.7244 13.9665 13.9665 k = 0.0968-0.1623-0.0984 ( 2627 PWs) bands (ev): -54.0645 -54.0645 -41.0271 -41.0271 -28.3973 -28.3973 -27.5963 -27.5963 -27.5267 -27.5267 -13.0795 -13.0795 -12.9061 -12.9061 -12.8439 -12.8439 -8.9873 -8.9873 -7.7374 -7.7374 4.0104 4.0104 5.3441 5.3441 5.5690 5.5690 7.4014 7.4014 7.5945 7.5945 7.7392 7.7392 11.0669 11.0669 11.1900 11.1900 11.8904 11.8904 13.6980 13.6980 13.9646 13.9646 k = 0.1048-0.1758-0.1066 ( 2623 PWs) bands (ev): -54.0640 -54.0640 -41.0267 -41.0267 -28.3989 -28.3989 -27.5992 -27.5992 -27.5266 -27.5266 -13.0794 -13.0794 -12.9076 -12.9076 -12.8459 -12.8459 -8.9705 -8.9705 -7.7414 -7.7414 4.0356 4.0356 5.3197 5.3197 5.5780 5.5780 7.3260 7.3260 7.6078 7.6078 7.7143 7.7143 11.0698 11.0698 11.2147 11.2147 11.8951 11.8951 13.6691 13.6691 13.9627 13.9627 k = 0.1129-0.1893-0.1148 ( 2621 PWs) bands (ev): -54.0635 -54.0635 -41.0263 -41.0263 -28.4007 -28.4007 -27.6024 -27.6024 -27.5265 -27.5265 -13.0794 -13.0794 -12.9093 -12.9093 -12.8480 -12.8480 -8.9526 -8.9526 -7.7457 -7.7457 4.0625 4.0625 5.2947 5.2947 5.5875 5.5875 7.2471 7.2471 7.6203 7.6203 7.6889 7.6889 11.0721 11.0721 11.2404 11.2404 11.9003 11.9003 13.6387 13.6387 13.9608 13.9608 k = 0.1210-0.2028-0.1230 ( 2622 PWs) bands (ev): -54.0629 -54.0629 -41.0259 -41.0259 -28.4026 -28.4026 -27.6057 -27.6057 -27.5264 -27.5264 -13.0795 -13.0795 -12.9111 -12.9111 -12.8502 -12.8502 -8.9336 -8.9336 -7.7502 -7.7502 4.0910 4.0910 5.2693 5.2693 5.5975 5.5975 7.1653 7.1653 7.6300 7.6300 7.6645 7.6645 11.0736 11.0736 11.2669 11.2669 11.9061 11.9061 13.6077 13.6077 13.9591 13.9591 k = 0.1290-0.2163-0.1312 ( 2624 PWs) bands (ev): -54.0622 -54.0622 -41.0255 -41.0255 -28.4046 -28.4046 -27.6092 -27.6092 -27.5262 -27.5262 -13.0797 -13.0797 -12.9130 -12.9130 -12.8523 -12.8523 -8.9135 -8.9135 -7.7549 -7.7549 4.1210 4.1210 5.2439 5.2439 5.6079 5.6079 7.0809 7.0809 7.6243 7.6243 7.6539 7.6539 11.0744 11.0744 11.2940 11.2940 11.9124 11.9124 13.5767 13.5767 13.9575 13.9575 k = 0.1371-0.2299-0.1394 ( 2618 PWs) bands (ev): -54.0616 -54.0616 -41.0250 -41.0250 -28.4068 -28.4068 -27.6129 -27.6129 -27.5260 -27.5260 -13.0800 -13.0800 -12.9149 -12.9149 -12.8544 -12.8544 -8.8925 -8.8925 -7.7597 -7.7597 4.1524 4.1524 5.2186 5.2186 5.6188 5.6188 6.9945 6.9945 7.5997 7.5997 7.6602 7.6602 11.0745 11.0745 11.3218 11.3218 11.9193 11.9193 13.5460 13.5460 13.9561 13.9561 k = 0.1452-0.2434-0.1476 ( 2620 PWs) bands (ev): -54.0609 -54.0609 -41.0245 -41.0245 -28.4090 -28.4090 -27.6168 -27.6168 -27.5258 -27.5258 -13.0804 -13.0804 -12.9170 -12.9170 -12.8565 -12.8565 -8.8706 -8.8706 -7.7647 -7.7647 4.1850 4.1850 5.1935 5.1935 5.6300 5.6300 6.9063 6.9063 7.5715 7.5715 7.6682 7.6682 11.0736 11.0736 11.3499 11.3499 11.9268 11.9268 13.5161 13.5161 13.9549 13.9549 k = 0.1532-0.2569-0.1558 ( 2618 PWs) bands (ev): -54.0602 -54.0602 -41.0240 -41.0240 -28.4114 -28.4114 -27.6207 -27.6207 -27.5255 -27.5255 -13.0810 -13.0810 -12.9192 -12.9192 -12.8585 -12.8585 -8.8478 -8.8478 -7.7699 -7.7699 4.2187 4.2187 5.1690 5.1690 5.6415 5.6415 6.8168 6.8168 7.5424 7.5424 7.6752 7.6752 11.0719 11.0719 11.3783 11.3783 11.9349 11.9349 13.4873 13.4873 13.9540 13.9540 k = 0.1613-0.2704-0.1640 ( 2621 PWs) bands (ev): -54.0594 -54.0594 -41.0235 -41.0235 -28.4139 -28.4139 -27.6249 -27.6249 -27.5252 -27.5252 -13.0817 -13.0817 -12.9214 -12.9214 -12.8605 -12.8605 -8.8242 -8.8242 -7.7751 -7.7751 4.2534 4.2534 5.1452 5.1452 5.6533 5.6533 6.7263 6.7263 7.5128 7.5128 7.6804 7.6804 11.0694 11.0694 11.4067 11.4067 11.9435 11.9435 13.4599 13.4599 13.9534 13.9534 k = 0.1694-0.2839-0.1722 ( 2619 PWs) bands (ev): -54.0587 -54.0587 -41.0230 -41.0230 -28.4164 -28.4164 -27.6291 -27.6291 -27.5249 -27.5249 -13.0826 -13.0826 -12.9237 -12.9237 -12.8624 -12.8624 -8.7998 -8.7998 -7.7805 -7.7805 4.2889 4.2889 5.1224 5.1224 5.6653 5.6653 6.6350 6.6350 7.4831 7.4831 7.6837 7.6837 11.0661 11.0661 11.4352 11.4352 11.9526 11.9526 13.4341 13.4341 13.9531 13.9531 k = 0.1774-0.2975-0.1804 ( 2621 PWs) bands (ev): -54.0579 -54.0579 -41.0225 -41.0225 -28.4191 -28.4191 -27.6335 -27.6335 -27.5246 -27.5246 -13.0836 -13.0836 -12.9259 -12.9259 -12.8642 -12.8642 -8.7748 -8.7748 -7.7859 -7.7859 4.3248 4.3248 5.1008 5.1008 5.6774 5.6774 6.5435 6.5435 7.4534 7.4534 7.6849 7.6849 11.0619 11.0619 11.4634 11.4634 11.9622 11.9622 13.4101 13.4101 13.9533 13.9533 k = 0.1855-0.3110-0.1886 ( 2620 PWs) bands (ev): -54.0571 -54.0571 -41.0219 -41.0219 -28.4219 -28.4219 -27.6380 -27.6380 -27.5242 -27.5242 -13.0849 -13.0849 -12.9282 -12.9282 -12.8659 -12.8659 -8.7492 -8.7492 -7.7913 -7.7913 4.3609 4.3609 5.0808 5.0808 5.6896 5.6896 6.4518 6.4518 7.4238 7.4238 7.6838 7.6838 11.0570 11.0570 11.4914 11.4914 11.9722 11.9722 13.3883 13.3883 13.9539 13.9539 k = 0.1935-0.3245-0.1968 ( 2616 PWs) bands (ev): -54.0563 -54.0563 -41.0213 -41.0213 -28.4247 -28.4247 -27.6425 -27.6425 -27.5238 -27.5238 -13.0864 -13.0864 -12.9304 -12.9304 -12.8675 -12.8675 -8.7230 -8.7230 -7.7967 -7.7967 4.3969 4.3969 5.0625 5.0625 5.7019 5.7019 6.3604 6.3604 7.3946 7.3946 7.6802 7.6802 11.0513 11.0513 11.5190 11.5190 11.9827 11.9827 13.3687 13.3687 13.9550 13.9550 k = 0.2016-0.3380-0.2050 ( 2610 PWs) bands (ev): -54.0554 -54.0554 -41.0207 -41.0207 -28.4276 -28.4276 -27.6470 -27.6470 -27.5234 -27.5234 -13.0881 -13.0881 -12.9325 -12.9325 -12.8690 -12.8690 -8.6964 -8.6964 -7.8022 -7.8022 4.4323 4.4323 5.0464 5.0464 5.7140 5.7140 6.2696 6.2696 7.3657 7.3657 7.6741 7.6741 11.0448 11.0448 11.5462 11.5462 11.9935 11.9935 13.3516 13.3516 13.9565 13.9565 k = 0.2097-0.3515-0.2132 ( 2616 PWs) bands (ev): -54.0546 -54.0546 -41.0201 -41.0201 -28.4307 -28.4307 -27.6517 -27.6517 -27.5230 -27.5230 -13.0901 -13.0901 -12.9346 -12.9346 -12.8705 -12.8705 -8.6693 -8.6693 -7.8076 -7.8076 4.4666 4.4666 5.0330 5.0330 5.7260 5.7260 6.1796 6.1796 7.3373 7.3373 7.6654 7.6654 11.0377 11.0377 11.5727 11.5727 12.0045 12.0045 13.3369 13.3369 13.9585 13.9585 k = 0.2177-0.3651-0.2215 ( 2613 PWs) bands (ev): -54.0537 -54.0537 -41.0195 -41.0195 -28.4337 -28.4337 -27.6564 -27.6564 -27.5225 -27.5225 -13.0923 -13.0923 -12.9365 -12.9365 -12.8718 -12.8718 -8.6420 -8.6420 -7.8129 -7.8129 4.4991 4.4991 5.0227 5.0227 5.7379 5.7379 6.0909 6.0909 7.3096 7.3096 7.6541 7.6541 11.0299 11.0299 11.5986 11.5986 12.0158 12.0158 13.3250 13.3250 13.9611 13.9611 k = 0.2258-0.3786-0.2297 ( 2611 PWs) bands (ev): -54.0528 -54.0528 -41.0189 -41.0189 -28.4369 -28.4369 -27.6611 -27.6611 -27.5220 -27.5220 -13.0947 -13.0947 -12.9384 -12.9384 -12.8730 -12.8730 -8.6144 -8.6144 -7.8182 -7.8182 4.5291 4.5291 5.0161 5.0161 5.7494 5.7494 6.0036 6.0036 7.2826 7.2826 7.6400 7.6400 11.0216 11.0216 11.6237 11.6237 12.0271 12.0271 13.3159 13.3159 13.9641 13.9641 k = 0.2339-0.3921-0.2379 ( 2610 PWs) bands (ev): -54.0519 -54.0519 -41.0183 -41.0183 -28.4400 -28.4400 -27.6658 -27.6658 -27.5215 -27.5215 -13.0974 -13.0974 -12.9401 -12.9401 -12.8741 -12.8741 -8.5867 -8.5867 -7.8233 -7.8233 4.5558 4.5558 5.0138 5.0138 5.7607 5.7607 5.9184 5.9184 7.2564 7.2564 7.6233 7.6233 11.0128 11.0128 11.6481 11.6481 12.0386 12.0386 13.3096 13.3096 13.9677 13.9677 k = 0.2419-0.4056-0.2461 ( 2612 PWs) bands (ev): -54.0511 -54.0511 -41.0177 -41.0177 -28.4433 -28.4433 -27.6705 -27.6705 -27.5210 -27.5210 -13.1004 -13.1004 -12.9417 -12.9417 -12.8751 -12.8751 -8.5589 -8.5589 -7.8283 -7.8283 4.5782 4.5782 5.0164 5.0164 5.7715 5.7715 5.8355 5.8355 7.2311 7.2311 7.6039 7.6039 11.0034 11.0034 11.6717 11.6717 12.0499 12.0499 13.3062 13.3062 13.9719 13.9719 k = 0.2500-0.4192-0.2543 ( 2611 PWs) bands (ev): -54.0502 -54.0502 -41.0171 -41.0171 -28.4466 -28.4466 -27.6752 -27.6752 -27.5205 -27.5205 -13.1035 -13.1035 -12.9432 -12.9432 -12.8759 -12.8759 -8.5311 -8.5311 -7.8332 -7.8332 4.5958 4.5958 5.0241 5.0241 5.7553 5.7553 5.7821 5.7821 7.2069 7.2069 7.5820 7.5820 10.9936 10.9936 11.6944 11.6944 12.0610 12.0610 13.3057 13.3057 13.9765 13.9765 k = 0.2581-0.4327-0.2625 ( 2609 PWs) bands (ev): -54.0493 -54.0493 -41.0165 -41.0165 -28.4499 -28.4499 -27.6798 -27.6798 -27.5200 -27.5200 -13.1069 -13.1069 -12.9446 -12.9446 -12.8767 -12.8767 -8.5034 -8.5034 -7.8378 -7.8378 4.6080 4.6080 5.0368 5.0368 5.6789 5.6789 5.7920 5.7920 7.1836 7.1836 7.5575 7.5575 10.9834 10.9834 11.7161 11.7161 12.0720 12.0720 13.3082 13.3082 13.9817 13.9817 k = 0.2661-0.4462-0.2707 ( 2607 PWs) bands (ev): -54.0484 -54.0484 -41.0158 -41.0158 -28.4532 -28.4532 -27.6844 -27.6844 -27.5194 -27.5194 -13.1104 -13.1104 -12.9458 -12.9458 -12.8773 -12.8773 -8.4758 -8.4758 -7.8422 -7.8422 4.6149 4.6149 5.0537 5.0537 5.6068 5.6068 5.8013 5.8013 7.1615 7.1615 7.5306 7.5306 10.9729 10.9729 11.7370 11.7370 12.0825 12.0825 13.3136 13.3136 13.9874 13.9874 k = 0.2742-0.4597-0.2789 ( 2607 PWs) bands (ev): -54.0475 -54.0475 -41.0152 -41.0152 -28.4566 -28.4566 -27.6890 -27.6890 -27.5189 -27.5189 -13.1142 -13.1142 -12.9470 -12.9470 -12.8779 -12.8779 -8.4486 -8.4486 -7.8464 -7.8464 4.6165 4.6165 5.0733 5.0733 5.5405 5.5405 5.8101 5.8101 7.1406 7.1406 7.5014 7.5014 10.9621 10.9621 11.7568 11.7568 12.0927 12.0927 13.3218 13.3218 13.9935 13.9935 k = 0.2823-0.4732-0.2871 ( 2607 PWs) bands (ev): -54.0466 -54.0466 -41.0146 -41.0146 -28.4599 -28.4599 -27.6935 -27.6935 -27.5183 -27.5183 -13.1180 -13.1180 -12.9480 -12.9480 -12.8783 -12.8783 -8.4217 -8.4217 -7.8502 -7.8502 4.6134 4.6134 5.0935 5.0935 5.4817 5.4817 5.8182 5.8182 7.1209 7.1209 7.4700 7.4700 10.9510 10.9510 11.7758 11.7758 12.1023 12.1023 13.3329 13.3329 14.0000 14.0000 k = 0.2903-0.4868-0.2953 ( 2604 PWs) bands (ev): -54.0458 -54.0458 -41.0140 -41.0140 -28.4633 -28.4633 -27.6979 -27.6979 -27.5177 -27.5177 -13.1220 -13.1220 -12.9490 -12.9490 -12.8787 -12.8787 -8.3952 -8.3952 -7.8538 -7.8538 4.6058 4.6058 5.1111 5.1111 5.4334 5.4334 5.8256 5.8256 7.1025 7.1025 7.4367 7.4367 10.9399 10.9399 11.7937 11.7937 12.1114 12.1114 13.3466 13.3466 14.0069 14.0069 k = 0.2984-0.5003-0.3035 ( 2601 PWs) bands (ev): -54.0449 -54.0449 -41.0134 -41.0134 -28.4666 -28.4666 -27.7022 -27.7022 -27.5171 -27.5171 -13.1261 -13.1261 -12.9498 -12.9498 -12.8789 -12.8789 -8.3693 -8.3693 -7.8570 -7.8570 4.5940 4.5940 5.1215 5.1215 5.3997 5.3997 5.8324 5.8324 7.0853 7.0853 7.4015 7.4015 10.9285 10.9285 11.8107 11.8107 12.1199 12.1199 13.3628 13.3628 14.0142 14.0142 k = 0.3065-0.5138-0.3117 ( 2602 PWs) bands (ev): -54.0441 -54.0441 -41.0128 -41.0128 -28.4699 -28.4699 -27.7065 -27.7065 -27.5166 -27.5166 -13.1302 -13.1302 -12.9506 -12.9506 -12.8790 -12.8790 -8.3441 -8.3441 -7.8598 -7.8598 4.5780 4.5780 5.1210 5.1210 5.3844 5.3844 5.8383 5.8383 7.0694 7.0694 7.3647 7.3647 10.9171 10.9171 11.8267 11.8267 12.1278 12.1278 13.3815 13.3815 14.0218 14.0218 k = 0.3145-0.5273-0.3199 ( 2602 PWs) bands (ev): -54.0432 -54.0432 -41.0123 -41.0123 -28.4732 -28.4732 -27.7106 -27.7106 -27.5160 -27.5160 -13.1344 -13.1344 -12.9513 -12.9513 -12.8791 -12.8791 -8.3195 -8.3195 -7.8622 -7.8622 4.5579 4.5579 5.1094 5.1094 5.3875 5.3875 5.8436 5.8436 7.0549 7.0549 7.3265 7.3265 10.9056 10.9056 11.8418 11.8418 12.1350 12.1350 13.4024 13.4024 14.0297 14.0297 k = 0.3226-0.5408-0.3281 ( 2599 PWs) bands (ev): -54.0424 -54.0424 -41.0117 -41.0117 -28.4764 -28.4764 -27.7146 -27.7146 -27.5154 -27.5154 -13.1386 -13.1386 -12.9520 -12.9520 -12.8791 -12.8791 -8.2959 -8.2959 -7.8641 -7.8641 4.5337 4.5337 5.0912 5.0912 5.4045 5.4045 5.8481 5.8481 7.0415 7.0415 7.2871 7.2871 10.8942 10.8942 11.8559 11.8559 12.1417 12.1417 13.4252 13.4252 14.0378 14.0378 k = 0.3306-0.5544-0.3363 ( 2597 PWs) bands (ev): -54.0416 -54.0416 -41.0112 -41.0112 -28.4796 -28.4796 -27.7185 -27.7185 -27.5149 -27.5149 -13.1428 -13.1428 -12.9526 -12.9526 -12.8789 -12.8789 -8.2731 -8.2731 -7.8655 -7.8655 4.5056 4.5056 5.0714 5.0714 5.4298 5.4298 5.8519 5.8519 7.0294 7.0294 7.2468 7.2468 10.8828 10.8828 11.8692 11.8692 12.1476 12.1476 13.4499 13.4499 14.0460 14.0460 k = 0.3387-0.5679-0.3445 ( 2598 PWs) bands (ev): -54.0409 -54.0409 -41.0106 -41.0106 -28.4827 -28.4827 -27.7223 -27.7223 -27.5144 -27.5144 -13.1469 -13.1469 -12.9532 -12.9532 -12.8788 -12.8788 -8.2515 -8.2515 -7.8664 -7.8664 4.4740 4.4740 5.0535 5.0535 5.4597 5.4597 5.8550 5.8550 7.0185 7.0185 7.2059 7.2059 10.8715 10.8715 11.8815 11.8815 12.1529 12.1529 13.4760 13.4760 14.0543 14.0543 k = 0.3468-0.5814-0.3527 ( 2598 PWs) bands (ev): -54.0401 -54.0401 -41.0101 -41.0101 -28.4857 -28.4857 -27.7259 -27.7259 -27.5138 -27.5138 -13.1510 -13.1510 -12.9537 -12.9537 -12.8785 -12.8785 -8.2309 -8.2309 -7.8667 -7.8667 4.4395 4.4395 5.0391 5.0391 5.4918 5.4918 5.8574 5.8574 7.0088 7.0088 7.1646 7.1646 10.8603 10.8603 11.8931 11.8931 12.1576 12.1576 13.5034 13.5034 14.0627 14.0627 k = 0.3548-0.5949-0.3609 ( 2601 PWs) bands (ev): -54.0394 -54.0394 -41.0096 -41.0096 -28.4887 -28.4887 -27.7294 -27.7294 -27.5133 -27.5133 -13.1550 -13.1550 -12.9543 -12.9543 -12.8783 -12.8783 -8.2116 -8.2116 -7.8664 -7.8664 4.4028 4.4028 5.0288 5.0288 5.5246 5.5246 5.8591 5.8591 6.9999 6.9999 7.1233 7.1233 10.8493 10.8493 11.9037 11.9037 12.1618 12.1618 13.5317 13.5317 14.0711 14.0711 k = 0.3629-0.6085-0.3691 ( 2601 PWs) bands (ev): -54.0387 -54.0387 -41.0091 -41.0091 -28.4915 -28.4915 -27.7327 -27.7327 -27.5128 -27.5128 -13.1590 -13.1590 -12.9548 -12.9548 -12.8779 -12.8779 -8.1936 -8.1936 -7.8655 -7.8655 4.3647 4.3647 5.0225 5.0225 5.5571 5.5571 5.8603 5.8603 6.9919 6.9919 7.0825 7.0825 10.8386 10.8386 11.9137 11.9137 12.1654 12.1654 13.5607 13.5607 14.0794 14.0794 k = 0.3710-0.6220-0.3773 ( 2596 PWs) bands (ev): -54.0381 -54.0381 -41.0087 -41.0087 -28.4942 -28.4942 -27.7359 -27.7359 -27.5123 -27.5123 -13.1627 -13.1627 -12.9552 -12.9552 -12.8775 -12.8775 -8.1769 -8.1769 -7.8640 -7.8640 4.3259 4.3259 5.0200 5.0200 5.5888 5.5888 5.8610 5.8610 6.9842 6.9842 7.0430 7.0430 10.8281 10.8281 11.9229 11.9229 12.1686 12.1686 13.5902 13.5902 14.0875 14.0875 k = 0.3790-0.6355-0.3855 ( 2597 PWs) bands (ev): -54.0374 -54.0374 -41.0082 -41.0082 -28.4969 -28.4969 -27.7389 -27.7389 -27.5119 -27.5119 -13.1664 -13.1664 -12.9557 -12.9557 -12.8771 -12.8771 -8.1617 -8.1617 -7.8618 -7.8618 4.2872 4.2872 5.0208 5.0208 5.6191 5.6191 5.8612 5.8612 6.9742 6.9742 7.0073 7.0073 10.8179 10.8179 11.9313 11.9313 12.1712 12.1712 13.6197 13.6197 14.0955 14.0955 k = 0.3871-0.6490-0.3937 ( 2600 PWs) bands (ev): -54.0368 -54.0368 -41.0078 -41.0078 -28.4994 -28.4994 -27.7417 -27.7417 -27.5114 -27.5114 -13.1699 -13.1699 -12.9561 -12.9561 -12.8767 -12.8767 -8.1479 -8.1479 -7.8590 -7.8590 4.2491 4.2491 5.0245 5.0245 5.6475 5.6475 5.8609 5.8609 6.9520 6.9520 6.9858 6.9858 10.8081 10.8081 11.9390 11.9390 12.1736 12.1736 13.6490 13.6490 14.1033 14.1033 k = 0.3952-0.6625-0.4019 ( 2600 PWs) bands (ev): -54.0363 -54.0363 -41.0074 -41.0074 -28.5018 -28.5018 -27.7444 -27.7444 -27.5110 -27.5110 -13.1732 -13.1732 -12.9565 -12.9565 -12.8762 -12.8762 -8.1355 -8.1355 -7.8557 -7.8557 4.2121 4.2121 5.0306 5.0306 5.6739 5.6739 5.8604 5.8604 6.9187 6.9187 6.9777 6.9777 10.7987 10.7987 11.9460 11.9460 12.1756 12.1756 13.6778 13.6778 14.1107 14.1107 k = 0.4032-0.6761-0.4101 ( 2602 PWs) bands (ev): -54.0357 -54.0357 -41.0071 -41.0071 -28.5041 -28.5041 -27.7469 -27.7469 -27.5106 -27.5106 -13.1764 -13.1764 -12.9569 -12.9569 -12.8758 -12.8758 -8.1246 -8.1246 -7.8519 -7.8519 4.1766 4.1766 5.0386 5.0386 5.6979 5.6979 5.8595 5.8595 6.8842 6.8842 6.9731 6.9731 10.7898 10.7898 11.9524 11.9524 12.1772 12.1772 13.7059 13.7059 14.1178 14.1178 k = 0.4113-0.6896-0.4183 ( 2602 PWs) bands (ev): -54.0353 -54.0353 -41.0067 -41.0067 -28.5062 -28.5062 -27.7492 -27.7492 -27.5102 -27.5102 -13.1793 -13.1793 -12.9572 -12.9572 -12.8753 -12.8753 -8.1150 -8.1150 -7.8478 -7.8478 4.1431 4.1431 5.0483 5.0483 5.7193 5.7193 5.8585 5.8585 6.8511 6.8511 6.9699 6.9699 10.7813 10.7813 11.9582 11.9582 12.1786 12.1786 13.7329 13.7329 14.1246 14.1246 k = 0.4194-0.7031-0.4265 ( 2606 PWs) bands (ev): -54.0348 -54.0348 -41.0064 -41.0064 -28.5081 -28.5081 -27.7513 -27.7513 -27.5099 -27.5099 -13.1821 -13.1821 -12.9576 -12.9576 -12.8749 -12.8749 -8.1067 -8.1067 -7.8434 -7.8434 4.1117 4.1117 5.0591 5.0591 5.7380 5.7380 5.8573 5.8573 6.8201 6.8201 6.9675 6.9675 10.7734 10.7734 11.9634 11.9634 12.1797 12.1797 13.7586 13.7586 14.1309 14.1309 k = 0.4274-0.7166-0.4347 ( 2605 PWs) bands (ev): -54.0344 -54.0344 -41.0061 -41.0061 -28.5099 -28.5099 -27.7532 -27.7532 -27.5096 -27.5096 -13.1846 -13.1846 -12.9579 -12.9579 -12.8745 -12.8745 -8.0996 -8.0996 -7.8389 -7.8389 4.0828 4.0828 5.0707 5.0707 5.7539 5.7539 5.8560 5.8560 6.7916 6.7916 6.9657 6.9657 10.7661 10.7661 11.9681 11.9681 12.1807 12.1807 13.7827 13.7827 14.1367 14.1367 k = 0.4355-0.7301-0.4429 ( 2602 PWs) bands (ev): -54.0340 -54.0340 -41.0059 -41.0059 -28.5115 -28.5115 -27.7549 -27.7549 -27.5093 -27.5093 -13.1869 -13.1869 -12.9581 -12.9581 -12.8741 -12.8741 -8.0936 -8.0936 -7.8344 -7.8344 4.0565 4.0565 5.0827 5.0827 5.7671 5.7671 5.8547 5.8547 6.7659 6.7659 6.9643 6.9643 10.7594 10.7594 11.9721 11.9721 12.1815 12.1815 13.8050 13.8050 14.1421 14.1421 k = 0.4435-0.7437-0.4511 ( 2604 PWs) bands (ev): -54.0337 -54.0337 -41.0057 -41.0057 -28.5129 -28.5129 -27.7565 -27.7565 -27.5090 -27.5090 -13.1889 -13.1889 -12.9584 -12.9584 -12.8737 -12.8737 -8.0886 -8.0886 -7.8301 -7.8301 4.0330 4.0330 5.0947 5.0947 5.7776 5.7776 5.8534 5.8534 6.7432 6.7432 6.9633 6.9633 10.7534 10.7534 11.9757 11.9757 12.1822 12.1822 13.8251 13.8251 14.1469 14.1469 k = 0.4516-0.7572-0.4593 ( 2599 PWs) bands (ev): -54.0334 -54.0334 -41.0054 -41.0054 -28.5141 -28.5141 -27.7578 -27.7578 -27.5088 -27.5088 -13.1906 -13.1906 -12.9586 -12.9586 -12.8734 -12.8734 -8.0845 -8.0845 -7.8261 -7.8261 4.0124 4.0124 5.1063 5.1063 5.7857 5.7857 5.8523 5.8523 6.7236 6.7236 6.9625 6.9625 10.7481 10.7481 11.9787 11.9787 12.1827 12.1827 13.8431 13.8431 14.1511 14.1511 k = 0.4597-0.7707-0.4675 ( 2597 PWs) bands (ev): -54.0332 -54.0332 -41.0053 -41.0053 -28.5152 -28.5152 -27.7589 -27.7589 -27.5086 -27.5086 -13.1921 -13.1921 -12.9588 -12.9588 -12.8731 -12.8731 -8.0811 -8.0811 -7.8225 -7.8225 3.9948 3.9948 5.1171 5.1171 5.7917 5.7917 5.8512 5.8512 6.7071 6.7071 6.9620 6.9620 10.7436 10.7436 11.9813 11.9813 12.1831 12.1831 13.8587 13.8587 14.1547 14.1547 k = 0.4677-0.7842-0.4757 ( 2595 PWs) bands (ev): -54.0330 -54.0330 -41.0051 -41.0051 -28.5161 -28.5161 -27.7598 -27.7598 -27.5084 -27.5084 -13.1933 -13.1933 -12.9589 -12.9589 -12.8728 -12.8728 -8.0785 -8.0785 -7.8193 -7.8193 3.9803 3.9803 5.1265 5.1265 5.7958 5.7958 5.8503 5.8503 6.6937 6.6937 6.9616 6.9616 10.7398 10.7398 11.9834 11.9834 12.1834 12.1834 13.8716 13.8716 14.1577 14.1577 k = 0.4758-0.7977-0.4839 ( 2592 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5167 -28.5167 -27.7605 -27.7605 -27.5083 -27.5083 -13.1943 -13.1943 -12.9590 -12.9590 -12.8726 -12.8726 -8.0766 -8.0766 -7.8168 -7.8168 3.9689 3.9689 5.1343 5.1343 5.7985 5.7985 5.8496 5.8496 6.6834 6.6834 6.9613 6.9613 10.7368 10.7368 11.9850 11.9850 12.1837 12.1837 13.8818 13.8818 14.1600 14.1600 k = 0.4839-0.8113-0.4921 ( 2587 PWs) bands (ev): -54.0327 -54.0327 -41.0049 -41.0049 -28.5172 -28.5172 -27.7610 -27.7610 -27.5082 -27.5082 -13.1949 -13.1949 -12.9591 -12.9591 -12.8725 -12.8725 -8.0752 -8.0752 -7.8150 -7.8150 3.9608 3.9608 5.1402 5.1402 5.8001 5.8001 5.8491 5.8491 6.6761 6.6761 6.9612 6.9612 10.7348 10.7348 11.9861 11.9861 12.1838 12.1838 13.8892 13.8892 14.1617 14.1617 k = 0.4919-0.8248-0.5003 ( 2588 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5175 -28.5175 -27.7613 -27.7613 -27.5081 -27.5081 -13.1953 -13.1953 -12.9591 -12.9591 -12.8724 -12.8724 -8.0744 -8.0744 -7.8139 -7.8139 3.9559 3.9559 5.1438 5.1438 5.8010 5.8010 5.8487 5.8487 6.6718 6.6718 6.9611 6.9611 10.7335 10.7335 11.9868 11.9868 12.1839 12.1839 13.8936 13.8936 14.1628 14.1628 k = 0.5000-0.8383-0.5085 ( 2588 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1955 -13.1955 -12.9592 -12.9592 -12.8724 -12.8724 -8.0741 -8.0741 -7.8135 -7.8135 3.9543 3.9543 5.1450 5.1450 5.8012 5.8012 5.8486 5.8486 6.6704 6.6704 6.9611 6.9611 10.7331 10.7331 11.9871 11.9871 12.1840 12.1840 13.8951 13.8951 14.1631 14.1631 k = 0.5000-0.8383-0.5085 ( 2588 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1955 -13.1955 -12.9592 -12.9592 -12.8724 -12.8724 -8.0741 -8.0741 -7.8135 -7.8135 3.9543 3.9543 5.1450 5.1450 5.8012 5.8012 5.8486 5.8486 6.6704 6.6704 6.9611 6.9611 10.7331 10.7331 11.9871 11.9871 12.1840 12.1840 13.8951 13.8951 14.1631 14.1631 k = 0.5000-0.8291-0.5237 ( 2588 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7615 -27.7615 -27.5081 -27.5081 -13.1954 -13.1954 -12.9592 -12.9592 -12.8724 -12.8724 -8.0738 -8.0738 -7.8136 -7.8136 3.9553 3.9553 5.1439 5.1439 5.8015 5.8015 5.8495 5.8495 6.6704 6.6704 6.9584 6.9584 10.7349 10.7349 11.9869 11.9869 12.1834 12.1834 13.8953 13.8953 14.1619 14.1619 k = 0.5000-0.8199-0.5389 ( 2594 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7616 -27.7616 -27.5082 -27.5082 -13.1952 -13.1952 -12.9595 -12.9595 -12.8726 -12.8726 -8.0730 -8.0730 -7.8138 -7.8138 3.9585 3.9585 5.1404 5.1404 5.8023 5.8023 5.8522 5.8522 6.6704 6.6704 6.9502 6.9502 10.7402 10.7402 11.9865 11.9865 12.1816 12.1816 13.8959 13.8959 14.1582 14.1582 k = 0.5000-0.8107-0.5541 ( 2600 PWs) bands (ev): -54.0325 -54.0325 -41.0048 -41.0048 -28.5176 -28.5176 -27.7619 -27.7619 -27.5084 -27.5084 -13.1949 -13.1949 -12.9598 -12.9598 -12.8729 -12.8729 -8.0716 -8.0716 -7.8142 -7.8142 3.9638 3.9638 5.1347 5.1347 5.8035 5.8035 5.8565 5.8565 6.6703 6.6703 6.9367 6.9367 10.7489 10.7489 11.9859 11.9859 12.1788 12.1788 13.8969 13.8969 14.1522 14.1522 k = 0.5000-0.8015-0.5692 ( 2602 PWs) bands (ev): -54.0325 -54.0325 -41.0048 -41.0048 -28.5176 -28.5176 -27.7622 -27.7622 -27.5086 -27.5086 -13.1945 -13.1945 -12.9603 -12.9603 -12.8733 -12.8733 -8.0697 -8.0697 -7.8147 -7.8147 3.9712 3.9712 5.1270 5.1270 5.8052 5.8052 5.8625 5.8625 6.6702 6.6702 6.9182 6.9182 10.7610 10.7610 11.9851 11.9851 12.1748 12.1748 13.8983 13.8983 14.1440 14.1440 k = 0.5000-0.7923-0.5844 ( 2606 PWs) bands (ev): -54.0324 -54.0324 -41.0048 -41.0048 -28.5176 -28.5176 -27.7626 -27.7626 -27.5088 -27.5088 -13.1939 -13.1939 -12.9608 -12.9608 -12.8737 -12.8737 -8.0673 -8.0673 -7.8153 -7.8153 3.9807 3.9807 5.1173 5.1173 5.8074 5.8074 5.8700 5.8700 6.6700 6.6700 6.8947 6.8947 10.7762 10.7762 11.9840 11.9840 12.1697 12.1697 13.9001 13.9001 14.1337 14.1337 k = 0.5000-0.7831-0.5996 ( 2604 PWs) bands (ev): -54.0323 -54.0323 -41.0047 -41.0047 -28.5176 -28.5176 -27.7631 -27.7631 -27.5091 -27.5091 -13.1932 -13.1932 -12.9615 -12.9615 -12.8742 -12.8742 -8.0643 -8.0643 -7.8161 -7.8161 3.9923 3.9923 5.1059 5.1059 5.8098 5.8098 5.8790 5.8790 6.6695 6.6695 6.8668 6.8668 10.7944 10.7944 11.9828 11.9828 12.1635 12.1635 13.9022 13.9022 14.1215 14.1215 k = 0.5000-0.7738-0.6148 ( 2606 PWs) bands (ev): -54.0322 -54.0322 -41.0046 -41.0046 -28.5176 -28.5176 -27.7636 -27.7636 -27.5094 -27.5094 -13.1924 -13.1924 -12.9623 -12.9623 -12.8748 -12.8748 -8.0608 -8.0608 -7.8171 -7.8171 4.0059 4.0059 5.0930 5.0930 5.8125 5.8125 5.8892 5.8892 6.6686 6.6686 6.8346 6.8346 10.8153 10.8153 11.9813 11.9813 12.1562 12.1562 13.9047 13.9047 14.1076 14.1076 k = 0.5000-0.7646-0.6300 ( 2604 PWs) bands (ev): -54.0321 -54.0321 -41.0046 -41.0046 -28.5176 -28.5176 -27.7643 -27.7643 -27.5097 -27.5097 -13.1914 -13.1914 -12.9633 -12.9633 -12.8754 -12.8754 -8.0569 -8.0569 -7.8181 -7.8181 4.0215 4.0215 5.0788 5.0788 5.8153 5.8153 5.9006 5.9006 6.6673 6.6673 6.7988 6.7988 10.8387 10.8387 11.9798 11.9798 12.1479 12.1479 13.9074 13.9074 14.0923 14.0923 k = 0.5000-0.7554-0.6452 ( 2602 PWs) bands (ev): -54.0320 -54.0320 -41.0045 -41.0045 -28.5176 -28.5176 -27.7649 -27.7649 -27.5101 -27.5101 -13.1903 -13.1903 -12.9644 -12.9644 -12.8760 -12.8760 -8.0524 -8.0524 -7.8193 -7.8193 4.0391 4.0391 5.0635 5.0635 5.8181 5.8181 5.9129 5.9129 6.6650 6.6650 6.7600 6.7600 10.8642 10.8642 11.9781 11.9781 12.1386 12.1386 13.9103 13.9103 14.0758 14.0758 k = 0.5000-0.7462-0.6603 ( 2602 PWs) bands (ev): -54.0319 -54.0319 -41.0044 -41.0044 -28.5176 -28.5176 -27.7657 -27.7657 -27.5105 -27.5105 -13.1892 -13.1892 -12.9656 -12.9656 -12.8767 -12.8767 -8.0475 -8.0475 -7.8207 -7.8207 4.0587 4.0587 5.0473 5.0473 5.8207 5.8207 5.9261 5.9261 6.6611 6.6611 6.7194 6.7194 10.8917 10.8917 11.9762 11.9762 12.1284 12.1284 13.9135 13.9135 14.0584 14.0584 k = 0.5000-0.7370-0.6755 ( 2608 PWs) bands (ev): -54.0317 -54.0317 -41.0043 -41.0043 -28.5176 -28.5176 -27.7666 -27.7666 -27.5110 -27.5110 -13.1879 -13.1879 -12.9671 -12.9671 -12.8775 -12.8775 -8.0422 -8.0422 -7.8222 -7.8222 4.0802 4.0802 5.0304 5.0304 5.8229 5.8229 5.9401 5.9401 6.6502 6.6502 6.6827 6.6827 10.9207 10.9207 11.9743 11.9743 12.1173 12.1173 13.9167 13.9167 14.0404 14.0404 k = 0.5000-0.7278-0.6907 ( 2604 PWs) bands (ev): -54.0316 -54.0316 -41.0042 -41.0042 -28.5176 -28.5176 -27.7675 -27.7675 -27.5114 -27.5114 -13.1865 -13.1865 -12.9686 -12.9686 -12.8781 -12.8781 -8.0365 -8.0365 -7.8238 -7.8238 4.1035 4.1035 5.0131 5.0131 5.8244 5.8244 5.9549 5.9549 6.6172 6.6172 6.6656 6.6656 10.9511 10.9511 11.9722 11.9722 12.1053 12.1053 13.9201 13.9201 14.0220 14.0220 k = 0.5000-0.7186-0.7059 ( 2604 PWs) bands (ev): -54.0314 -54.0314 -41.0041 -41.0041 -28.5176 -28.5176 -27.7684 -27.7684 -27.5119 -27.5119 -13.1851 -13.1851 -12.9703 -12.9703 -12.8788 -12.8788 -8.0305 -8.0305 -7.8255 -7.8255 4.1287 4.1287 4.9954 4.9954 5.8249 5.8249 5.9702 5.9702 6.5725 6.5725 6.6584 6.6584 10.9825 10.9825 11.9701 11.9701 12.0926 12.0926 13.9235 13.9235 14.0035 14.0035 k = 0.5000-0.7094-0.7211 ( 2598 PWs) bands (ev): -54.0312 -54.0312 -41.0039 -41.0039 -28.5176 -28.5176 -27.7694 -27.7694 -27.5123 -27.5123 -13.1836 -13.1836 -12.9721 -12.9721 -12.8794 -12.8794 -8.0241 -8.0241 -7.8274 -7.8274 4.1556 4.1556 4.9776 4.9776 5.8238 5.8238 5.9862 5.9862 6.5257 6.5257 6.6521 6.6521 11.0146 11.0146 11.9680 11.9680 12.0793 12.0793 13.9268 13.9268 13.9852 13.9852 k = 0.5000-0.7002-0.7362 ( 2598 PWs) bands (ev): -54.0311 -54.0311 -41.0038 -41.0038 -28.5176 -28.5176 -27.7705 -27.7705 -27.5128 -27.5128 -13.1820 -13.1820 -12.9741 -12.9741 -12.8800 -12.8800 -8.0174 -8.0174 -7.8293 -7.8293 4.1842 4.1842 4.9597 4.9597 5.8205 5.8205 6.0026 6.0026 6.4790 6.4790 6.6452 6.6452 11.0472 11.0472 11.9657 11.9657 12.0653 12.0653 13.9299 13.9299 13.9674 13.9674 k = 0.5000-0.6910-0.7514 ( 2598 PWs) bands (ev): -54.0309 -54.0309 -41.0037 -41.0037 -28.5177 -28.5177 -27.7716 -27.7716 -27.5132 -27.5132 -13.1803 -13.1803 -12.9762 -12.9762 -12.8806 -12.8806 -8.0104 -8.0104 -7.8314 -7.8314 4.2144 4.2144 4.9420 4.9420 5.8145 5.8145 6.0195 6.0195 6.4336 6.4336 6.6375 6.6375 11.0800 11.0800 11.9632 11.9632 12.0509 12.0509 13.9322 13.9322 13.9510 13.9510 k = 0.5000-0.6817-0.7666 ( 2594 PWs) bands (ev): -54.0307 -54.0307 -41.0036 -41.0036 -28.5177 -28.5177 -27.7727 -27.7727 -27.5137 -27.5137 -13.1786 -13.1786 -12.9784 -12.9784 -12.8811 -12.8811 -8.0032 -8.0032 -7.8336 -7.8336 4.2462 4.2462 4.9245 4.9245 5.8049 5.8049 6.0368 6.0368 6.3910 6.3910 6.6286 6.6286 11.1129 11.1129 11.9606 11.9606 12.0363 12.0363 13.9287 13.9287 13.9410 13.9410 k = 0.5000-0.6725-0.7818 ( 2594 PWs) bands (ev): -54.0305 -54.0305 -41.0034 -41.0034 -28.5178 -28.5178 -27.7738 -27.7738 -27.5142 -27.5142 -13.1769 -13.1769 -12.9807 -12.9807 -12.8816 -12.8816 -7.9959 -7.9959 -7.8359 -7.8359 4.2795 4.2795 4.9074 4.9074 5.7907 5.7907 6.0545 6.0545 6.3520 6.3520 6.6186 6.6186 11.1454 11.1454 11.9576 11.9576 12.0216 12.0216 13.9154 13.9154 13.9415 13.9415 k = 0.5000-0.6633-0.7970 ( 2596 PWs) bands (ev): -54.0303 -54.0303 -41.0033 -41.0033 -28.5179 -28.5179 -27.7750 -27.7750 -27.5146 -27.5146 -13.1752 -13.1752 -12.9832 -12.9832 -12.8820 -12.8820 -7.9884 -7.9884 -7.8382 -7.8382 4.3141 4.3141 4.8907 4.8907 5.7713 5.7713 6.0725 6.0725 6.3179 6.3179 6.6075 6.6075 11.1774 11.1774 11.9540 11.9540 12.0073 12.0073 13.9014 13.9014 13.9437 13.9437 k = 0.5000-0.6541-0.8122 ( 2588 PWs) bands (ev): -54.0301 -54.0301 -41.0031 -41.0031 -28.5179 -28.5179 -27.7761 -27.7761 -27.5150 -27.5150 -13.1734 -13.1734 -12.9856 -12.9856 -12.8823 -12.8823 -7.9807 -7.9807 -7.8407 -7.8407 4.3501 4.3501 4.8746 4.8746 5.7462 5.7462 6.0908 6.0908 6.2894 6.2894 6.5952 6.5952 11.2088 11.2088 11.9494 11.9494 11.9937 11.9937 13.8884 13.8884 13.9460 13.9460 k = 0.5000-0.6449-0.8273 ( 2586 PWs) bands (ev): -54.0299 -54.0299 -41.0030 -41.0030 -28.5180 -28.5180 -27.7773 -27.7773 -27.5154 -27.5154 -13.1716 -13.1716 -12.9881 -12.9881 -12.8825 -12.8825 -7.9731 -7.9731 -7.8433 -7.8433 4.3873 4.3873 4.8591 4.8591 5.7152 5.7152 6.1094 6.1094 6.2669 6.2669 6.5817 6.5817 11.2391 11.2391 11.9434 11.9434 11.9817 11.9817 13.8766 13.8766 13.9481 13.9481 k = 0.5000-0.6357-0.8425 ( 2586 PWs) bands (ev): -54.0297 -54.0297 -41.0029 -41.0029 -28.5181 -28.5181 -27.7784 -27.7784 -27.5157 -27.5157 -13.1699 -13.1699 -12.9907 -12.9907 -12.8828 -12.8828 -7.9654 -7.9654 -7.8459 -7.8459 4.4256 4.4256 4.8442 4.8442 5.6786 5.6786 6.1281 6.1281 6.2502 6.2502 6.5672 6.5672 11.2681 11.2681 11.9353 11.9353 11.9718 11.9718 13.8664 13.8664 13.9499 13.9499 k = 0.5000-0.6265-0.8577 ( 2584 PWs) bands (ev): -54.0295 -54.0295 -41.0027 -41.0027 -28.5182 -28.5182 -27.7795 -27.7795 -27.5161 -27.5161 -13.1682 -13.1682 -12.9932 -12.9932 -12.8830 -12.8830 -7.9577 -7.9577 -7.8486 -7.8486 4.4649 4.4649 4.8301 4.8301 5.6373 5.6373 6.1469 6.1469 6.2388 6.2388 6.5517 6.5517 11.2958 11.2958 11.9253 11.9253 11.9642 11.9642 13.8576 13.8576 13.9513 13.9513 k = 0.5000-0.6173-0.8729 ( 2588 PWs) bands (ev): -54.0294 -54.0294 -41.0026 -41.0026 -28.5184 -28.5184 -27.7806 -27.7806 -27.5164 -27.5164 -13.1666 -13.1666 -12.9957 -12.9957 -12.8831 -12.8831 -7.9502 -7.9502 -7.8513 -7.8513 4.5050 4.5050 4.8167 4.8167 5.5921 5.5921 6.1656 6.1656 6.2318 6.2318 6.5356 6.5356 11.3216 11.3216 11.9141 11.9141 11.9582 11.9582 13.8505 13.8505 13.9524 13.9524 k = 0.5000-0.6081-0.8881 ( 2592 PWs) bands (ev): -54.0292 -54.0292 -41.0025 -41.0025 -28.5186 -28.5186 -27.7817 -27.7817 -27.5167 -27.5167 -13.1650 -13.1650 -12.9981 -12.9981 -12.8832 -12.8832 -7.9427 -7.9427 -7.8541 -7.8541 4.5458 4.5458 4.8041 4.8041 5.5441 5.5441 6.1840 6.1840 6.2285 6.2285 6.5190 6.5190 11.3454 11.3454 11.9028 11.9028 11.9531 11.9531 13.8450 13.8450 13.9531 13.9531 k = 0.5000-0.5989-0.9032 ( 2586 PWs) bands (ev): -54.0290 -54.0290 -41.0024 -41.0024 -28.5187 -28.5187 -27.7826 -27.7826 -27.5170 -27.5170 -13.1635 -13.1635 -13.0004 -13.0004 -12.8833 -12.8833 -7.9355 -7.9355 -7.8570 -7.8570 4.5871 4.5871 4.7924 4.7924 5.4945 5.4945 6.2018 6.2018 6.2281 6.2281 6.5024 6.5024 11.3669 11.3669 11.8921 11.8921 11.9484 11.9484 13.8412 13.8412 13.9535 13.9535 k = 0.5000-0.5897-0.9184 ( 2588 PWs) bands (ev): -54.0289 -54.0289 -41.0023 -41.0023 -28.5189 -28.5189 -27.7836 -27.7836 -27.5172 -27.5172 -13.1622 -13.1622 -13.0026 -13.0026 -12.8833 -12.8833 -7.9285 -7.9285 -7.8599 -7.8599 4.6287 4.6287 4.7814 4.7814 5.4441 5.4441 6.2184 6.2184 6.2299 6.2299 6.4865 6.4865 11.3857 11.3857 11.8827 11.8827 11.9437 11.9437 13.8390 13.8390 13.9534 13.9534 k = 0.5000-0.5804-0.9336 ( 2586 PWs) bands (ev): -54.0287 -54.0287 -41.0022 -41.0022 -28.5190 -28.5190 -27.7844 -27.7844 -27.5174 -27.5174 -13.1610 -13.1610 -13.0045 -13.0045 -12.8833 -12.8833 -7.9218 -7.9218 -7.8628 -7.8628 4.6701 4.6701 4.7713 4.7713 5.3938 5.3938 6.2322 6.2322 6.2343 6.2343 6.4720 6.4720 11.4017 11.4017 11.8749 11.8749 11.9389 11.9389 13.8383 13.8383 13.9530 13.9530 k = 0.5000-0.5712-0.9488 ( 2584 PWs) bands (ev): -54.0286 -54.0286 -41.0021 -41.0021 -28.5191 -28.5191 -27.7852 -27.7852 -27.5176 -27.5176 -13.1599 -13.1599 -13.0063 -13.0063 -12.8832 -12.8832 -7.9154 -7.9154 -7.8657 -7.8657 4.7111 4.7111 4.7621 4.7621 5.3444 5.3444 6.2376 6.2376 6.2451 6.2451 6.4604 6.4604 11.4145 11.4145 11.8691 11.8691 11.9338 11.9338 13.8391 13.8391 13.9521 13.9521 k = 0.5000-0.5620-0.9640 ( 2588 PWs) bands (ev): -54.0285 -54.0285 -41.0020 -41.0020 -28.5193 -28.5193 -27.7859 -27.7859 -27.5178 -27.5178 -13.1589 -13.1589 -13.0079 -13.0079 -12.8832 -12.8832 -7.9094 -7.9094 -7.8686 -7.8686 4.7489 4.7489 4.7556 4.7556 5.2971 5.2971 6.2428 6.2428 6.2522 6.2522 6.4533 6.4533 11.4241 11.4241 11.8655 11.8655 11.9285 11.9285 13.8412 13.8412 13.9508 13.9508 k = 0.5000-0.5528-0.9792 ( 2586 PWs) bands (ev): -54.0284 -54.0284 -41.0020 -41.0020 -28.5194 -28.5194 -27.7865 -27.7865 -27.5179 -27.5179 -13.1581 -13.1581 -13.0093 -13.0093 -12.8832 -12.8832 -7.9039 -7.9039 -7.8715 -7.8715 4.7454 4.7454 4.7892 4.7892 5.2531 5.2531 6.2481 6.2481 6.2539 6.2539 6.4521 6.4521 11.4304 11.4304 11.8640 11.8640 11.9228 11.9228 13.8446 13.8447 13.9492 13.9492 k = 0.5000-0.5436-0.9943 ( 2590 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5196 -28.5196 -27.7870 -27.7870 -27.5180 -27.5180 -13.1575 -13.1575 -13.0104 -13.0104 -12.8831 -12.8831 -7.8990 -7.8990 -7.8743 -7.8743 4.7384 4.7384 4.8232 4.8232 5.2142 5.2142 6.2475 6.2475 6.2552 6.2552 6.4574 6.4574 11.4334 11.4334 11.8645 11.8645 11.9171 11.9171 13.8491 13.8491 13.9472 13.9472 k = 0.5000-0.5344-1.0095 ( 2594 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5197 -28.5197 -27.7873 -27.7873 -27.5181 -27.5181 -13.1571 -13.1571 -13.0112 -13.0112 -12.8831 -12.8831 -7.8947 -7.8947 -7.8770 -7.8770 4.7320 4.7320 4.8509 4.8509 5.1831 5.1831 6.2371 6.2371 6.2604 6.2604 6.4688 6.4688 11.4335 11.4335 11.8663 11.8663 11.9117 11.9117 13.8545 13.8545 13.9448 13.9448 k = 0.5000-0.5252-1.0247 ( 2590 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5197 -28.5197 -27.7876 -27.7876 -27.5181 -27.5181 -13.1568 -13.1568 -13.0117 -13.0117 -12.8830 -12.8830 -7.8914 -7.8914 -7.8792 -7.8792 4.7262 4.7262 4.8688 4.8688 5.1638 5.1638 6.2224 6.2224 6.2658 6.2658 6.4851 6.4851 11.4311 11.4311 11.8683 11.8683 11.9075 11.9075 13.8607 13.8607 13.9421 13.9421 k = 0.5000-0.5160-1.0399 ( 2588 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5198 -28.5198 -27.7877 -27.7877 -27.5181 -27.5181 -13.1566 -13.1566 -13.0119 -13.0119 -12.8830 -12.8830 -7.8895 -7.8895 -7.8805 -7.8805 4.7210 4.7210 4.8734 4.8734 5.1596 5.1596 6.2048 6.2048 6.2707 6.2707 6.5049 6.5049 11.4264 11.4264 11.8683 11.8683 11.9063 11.9063 13.8674 13.8674 13.9391 13.9391 k = 0.5000-0.5068-1.0551 ( 2588 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5198 -28.5198 -27.7877 -27.7877 -27.5181 -27.5181 -13.1566 -13.1566 -13.0119 -13.0119 -12.8830 -12.8830 -7.8899 -7.8899 -7.8803 -7.8803 4.7162 4.7162 4.8644 4.8644 5.1709 5.1709 6.1857 6.1857 6.2749 6.2749 6.5272 6.5272 11.4199 11.4199 11.8648 11.8648 11.9093 11.9093 13.8744 13.8744 13.9358 13.9358 k = 0.5000-0.4976-1.0702 ( 2590 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5197 -28.5197 -27.7875 -27.7875 -27.5181 -27.5181 -13.1567 -13.1567 -13.0115 -13.0115 -12.8830 -12.8830 -7.8917 -7.8917 -7.8793 -7.8793 4.7117 4.7117 4.8453 4.8453 5.1943 5.1943 6.1659 6.1659 6.2784 6.2784 6.5516 6.5516 11.4120 11.4120 11.8579 11.8579 11.9159 11.9159 13.8815 13.8815 13.9322 13.9322 k = 0.5000-0.4884-1.0854 ( 2592 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5196 -28.5196 -27.7872 -27.7872 -27.5181 -27.5181 -13.1569 -13.1569 -13.0109 -13.0109 -12.8831 -12.8831 -7.8941 -7.8941 -7.8784 -7.8784 4.7074 4.7074 4.8205 4.8205 5.2255 5.2255 6.1460 6.1460 6.2810 6.2810 6.5774 6.5774 11.4031 11.4031 11.8488 11.8488 11.9248 11.9248 13.8884 13.8884 13.9284 13.9284 k = 0.5000-0.4791-1.1006 ( 2592 PWs) bands (ev): -54.0284 -54.0284 -41.0019 -41.0019 -28.5194 -28.5194 -27.7867 -27.7867 -27.5180 -27.5180 -13.1572 -13.1572 -13.0100 -13.0100 -12.8832 -12.8832 -7.8966 -7.8966 -7.8781 -7.8781 4.7033 4.7033 4.7933 4.7933 5.2611 5.2611 6.1267 6.1267 6.2827 6.2827 6.6044 6.6044 11.3935 11.3935 11.8382 11.8382 11.9349 11.9349 13.8949 13.8949 13.9243 13.9243 k = 0.8160-0.3921-0.9335 ( 2592 PWs) bands (ev): -54.0284 -54.0284 -41.0019 -41.0019 -28.5194 -28.5194 -27.7867 -27.7867 -27.5180 -27.5180 -13.1572 -13.1572 -13.0100 -13.0100 -12.8832 -12.8832 -7.8966 -7.8966 -7.8781 -7.8781 4.7033 4.7033 4.7933 4.7933 5.2611 5.2611 6.1267 6.1267 6.2827 6.2827 6.6044 6.6044 11.3936 11.3936 11.8382 11.8382 11.9349 11.9349 13.8949 13.8949 13.9243 13.9243 k = 0.8113-0.3841-0.9183 ( 2588 PWs) bands (ev): -54.0285 -54.0285 -41.0020 -41.0020 -28.5192 -28.5192 -27.7861 -27.7861 -27.5180 -27.5180 -13.1575 -13.1575 -13.0088 -13.0088 -12.8833 -12.8833 -7.8992 -7.8992 -7.8785 -7.8785 4.6992 4.6992 4.7657 4.7657 5.2991 5.2991 6.1083 6.1083 6.2833 6.2833 6.6324 6.6324 11.3837 11.3837 11.8266 11.8266 11.9458 11.9458 13.9007 13.9007 13.9202 13.9202 k = 0.8066-0.3762-0.9031 ( 2592 PWs) bands (ev): -54.0286 -54.0286 -41.0021 -41.0021 -28.5189 -28.5189 -27.7854 -27.7854 -27.5179 -27.5179 -13.1580 -13.1580 -13.0075 -13.0075 -12.8835 -12.8835 -7.9018 -7.9018 -7.8796 -7.8796 4.6949 4.6949 4.7389 4.7389 5.3384 5.3384 6.0912 6.0912 6.2827 6.2827 6.6612 6.6612 11.3737 11.3737 11.8140 11.8140 11.9569 11.9569 13.9052 13.9052 13.9163 13.9163 k = 0.8019-0.3683-0.8879 ( 2596 PWs) bands (ev): -54.0288 -54.0288 -41.0022 -41.0022 -28.5185 -28.5185 -27.7845 -27.7845 -27.5179 -27.5179 -13.1584 -13.1584 -13.0059 -13.0059 -12.8837 -12.8837 -7.9044 -7.9044 -7.8816 -7.8816 4.6903 4.6903 4.7139 4.7139 5.3781 5.3781 6.0756 6.0756 6.2809 6.2809 6.6908 6.6908 11.3637 11.3637 11.8006 11.8006 11.9681 11.9681 13.9067 13.9067 13.9141 13.9141 k = 0.7972-0.3604-0.8727 ( 2594 PWs) bands (ev): -54.0290 -54.0290 -41.0024 -41.0024 -28.5181 -28.5181 -27.7834 -27.7834 -27.5178 -27.5178 -13.1588 -13.1588 -13.0042 -13.0042 -12.8839 -12.8839 -7.9069 -7.9069 -7.8845 -7.8845 4.6841 4.6841 4.6921 4.6921 5.4178 5.4178 6.0620 6.0620 6.2779 6.2779 6.7209 6.7209 11.3540 11.3540 11.7865 11.7865 11.9794 11.9794 13.9036 13.9036 13.9150 13.9150 k = 0.7924-0.3525-0.8576 ( 2592 PWs) bands (ev): -54.0292 -54.0292 -41.0025 -41.0025 -28.5175 -28.5175 -27.7821 -27.7821 -27.5177 -27.5177 -13.1591 -13.1591 -13.0022 -13.0022 -12.8841 -12.8841 -7.9094 -7.9094 -7.8882 -7.8882 4.6682 4.6682 4.6821 4.6821 5.4569 5.4569 6.0505 6.0505 6.2736 6.2736 6.7516 6.7516 11.3446 11.3446 11.7718 11.7718 11.9906 11.9906 13.8990 13.8990 13.9158 13.9158 k = 0.7877-0.3446-0.8424 ( 2590 PWs) bands (ev): -54.0294 -54.0294 -41.0027 -41.0027 -28.5168 -28.5168 -27.7807 -27.7807 -27.5176 -27.5176 -13.1594 -13.1594 -13.0002 -13.0002 -12.8844 -12.8844 -7.9118 -7.9118 -7.8928 -7.8928 4.6503 4.6503 4.6761 4.6761 5.4954 5.4954 6.0413 6.0413 6.2680 6.2680 6.7827 6.7827 11.3357 11.3357 11.7564 11.7564 12.0015 12.0015 13.8939 13.8939 13.9153 13.9153 k = 0.7830-0.3367-0.8272 ( 2592 PWs) bands (ev): -54.0297 -54.0297 -41.0029 -41.0029 -28.5161 -28.5161 -27.7792 -27.7792 -27.5176 -27.5176 -13.1596 -13.1596 -12.9980 -12.9980 -12.8848 -12.8848 -7.9143 -7.9143 -7.8983 -7.8983 4.6348 4.6348 4.6699 4.6699 5.5329 5.5329 6.0347 6.0347 6.2611 6.2611 6.8142 6.8142 11.3274 11.3274 11.7405 11.7405 12.0122 12.0122 13.8885 13.8885 13.9130 13.9130 k = 0.7783-0.3288-0.8120 ( 2594 PWs) bands (ev): -54.0300 -54.0300 -41.0031 -41.0031 -28.5152 -28.5152 -27.7775 -27.7775 -27.5175 -27.5175 -13.1597 -13.1597 -12.9957 -12.9957 -12.8852 -12.8852 -7.9168 -7.9168 -7.9045 -7.9045 4.6221 4.6221 4.6632 4.6632 5.5691 5.5691 6.0308 6.0308 6.2529 6.2529 6.8460 6.8460 11.3196 11.3196 11.7240 11.7240 12.0227 12.0227 13.8830 13.8830 13.9087 13.9087 k = 0.7736-0.3209-0.7968 ( 2600 PWs) bands (ev): -54.0304 -54.0304 -41.0034 -41.0034 -28.5142 -28.5142 -27.7757 -27.7757 -27.5175 -27.5175 -13.1596 -13.1596 -12.9934 -12.9934 -12.8857 -12.8857 -7.9199 -7.9199 -7.9110 -7.9110 4.6123 4.6123 4.6559 4.6559 5.6040 5.6040 6.0296 6.0296 6.2436 6.2436 6.8780 6.8780 11.3125 11.3125 11.7071 11.7071 12.0329 12.0329 13.8772 13.8772 13.9022 13.9022 k = 0.7689-0.3130-0.7817 ( 2600 PWs) bands (ev): -54.0308 -54.0308 -41.0036 -41.0036 -28.5131 -28.5131 -27.7737 -27.7737 -27.5175 -27.5175 -13.1594 -13.1594 -12.9910 -12.9910 -12.8861 -12.8861 -7.9250 -7.9250 -7.9165 -7.9165 4.6055 4.6055 4.6480 4.6480 5.6373 5.6373 6.0314 6.0314 6.2331 6.2331 6.9101 6.9101 11.3061 11.3061 11.6897 11.6897 12.0428 12.0428 13.8714 13.8714 13.8937 13.8937 k = 0.7641-0.3051-0.7665 ( 2596 PWs) bands (ev): -54.0312 -54.0312 -41.0039 -41.0039 -28.5119 -28.5119 -27.7715 -27.7715 -27.5174 -27.5174 -13.1590 -13.1590 -12.9885 -12.9885 -12.8866 -12.8866 -7.9330 -7.9330 -7.9198 -7.9198 4.6017 4.6017 4.6396 4.6396 5.6688 5.6688 6.0361 6.0361 6.2217 6.2217 6.9423 6.9423 11.3004 11.3004 11.6719 11.6719 12.0525 12.0525 13.8653 13.8653 13.8829 13.8829 k = 0.7594-0.2972-0.7513 ( 2594 PWs) bands (ev): -54.0316 -54.0316 -41.0042 -41.0042 -28.5105 -28.5105 -27.7691 -27.7691 -27.5174 -27.5174 -13.1585 -13.1585 -12.9860 -12.9860 -12.8871 -12.8871 -7.9430 -7.9430 -7.9221 -7.9221 4.6009 4.6009 4.6307 4.6307 5.6984 5.6984 6.0438 6.0438 6.2093 6.2093 6.9745 6.9745 11.2954 11.2954 11.6539 11.6539 12.0618 12.0618 13.8587 13.8587 13.8704 13.8704 k = 0.7547-0.2893-0.7361 ( 2600 PWs) bands (ev): -54.0321 -54.0321 -41.0045 -41.0045 -28.5091 -28.5091 -27.7667 -27.7667 -27.5174 -27.5174 -13.1578 -13.1578 -12.9835 -12.9835 -12.8877 -12.8877 -7.9542 -7.9542 -7.9240 -7.9240 4.6029 4.6029 4.6214 4.6214 5.7258 5.7258 6.0544 6.0544 6.1963 6.1963 7.0066 7.0066 11.2910 11.2910 11.6356 11.6356 12.0708 12.0708 13.8491 13.8491 13.8584 13.8584 k = 0.7500-0.2813-0.7209 ( 2602 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5075 -28.5075 -27.7641 -27.7641 -27.5174 -27.5174 -13.1569 -13.1569 -12.9810 -12.9810 -12.8882 -12.8882 -7.9665 -7.9665 -7.9257 -7.9257 4.6063 4.6063 4.6135 4.6135 5.7508 5.7508 6.0680 6.0680 6.1828 6.1828 7.0384 7.0384 11.2875 11.2875 11.6170 11.6170 12.0794 12.0794 13.8330 13.8330 13.8506 13.8506 k = 0.7453-0.2734-0.7058 ( 2600 PWs) bands (ev): -54.0331 -54.0331 -41.0053 -41.0053 -28.5058 -28.5058 -27.7613 -27.7613 -27.5174 -27.5174 -13.1558 -13.1558 -12.9785 -12.9785 -12.8888 -12.8888 -7.9798 -7.9798 -7.9272 -7.9272 4.6000 4.6000 4.6178 4.6178 5.7731 5.7731 6.0843 6.0843 6.1693 6.1693 7.0699 7.0699 11.2846 11.2846 11.5983 11.5983 12.0877 12.0877 13.8130 13.8130 13.8445 13.8445 k = 0.7406-0.2655-0.6906 ( 2604 PWs) bands (ev): -54.0337 -54.0337 -41.0057 -41.0057 -28.5039 -28.5039 -27.7584 -27.7584 -27.5175 -27.5175 -13.1546 -13.1546 -12.9760 -12.9760 -12.8894 -12.8894 -7.9940 -7.9940 -7.9286 -7.9286 4.5901 4.5901 4.6286 4.6286 5.7923 5.7923 6.1032 6.1032 6.1561 6.1561 7.1010 7.1010 11.2824 11.2824 11.5795 11.5795 12.0956 12.0956 13.7904 13.7904 13.8389 13.8389 k = 0.7358-0.2576-0.6754 ( 2606 PWs) bands (ev): -54.0343 -54.0343 -41.0061 -41.0061 -28.5020 -28.5020 -27.7553 -27.7553 -27.5176 -27.5176 -13.1531 -13.1531 -12.9736 -12.9736 -12.8900 -12.8900 -8.0091 -8.0091 -7.9299 -7.9299 4.5800 4.5800 4.6425 4.6425 5.8082 5.8082 6.1238 6.1238 6.1448 6.1448 7.1315 7.1315 11.2809 11.2809 11.5607 11.5607 12.1031 12.1031 13.7655 13.7655 13.8336 13.8336 k = 0.7311-0.2497-0.6602 ( 2606 PWs) bands (ev): -54.0349 -54.0349 -41.0065 -41.0065 -28.4999 -28.4999 -27.7521 -27.7521 -27.5177 -27.5177 -13.1515 -13.1515 -12.9712 -12.9712 -12.8905 -12.8905 -8.0251 -8.0251 -7.9311 -7.9311 4.5699 4.5699 4.6592 4.6592 5.8202 5.8202 6.1292 6.1292 6.1524 6.1524 7.1614 7.1614 11.2800 11.2800 11.5419 11.5419 12.1101 12.1101 13.7386 13.7386 13.8287 13.8287 k = 0.7264-0.2418-0.6450 ( 2618 PWs) bands (ev): -54.0356 -54.0356 -41.0070 -41.0070 -28.4977 -28.4977 -27.7489 -27.7489 -27.5178 -27.5178 -13.1497 -13.1497 -12.9690 -12.9690 -12.8911 -12.8911 -8.0420 -8.0420 -7.9321 -7.9321 4.5600 4.5600 4.6785 4.6785 5.8279 5.8279 6.1207 6.1207 6.1781 6.1781 7.1904 7.1904 11.2797 11.2797 11.5230 11.5230 12.1165 12.1165 13.7099 13.7099 13.8240 13.8240 k = 0.7217-0.2339-0.6299 ( 2618 PWs) bands (ev): -54.0363 -54.0363 -41.0075 -41.0075 -28.4954 -28.4954 -27.7454 -27.7454 -27.5179 -27.5179 -13.1476 -13.1476 -12.9667 -12.9667 -12.8915 -12.8915 -8.0596 -8.0596 -7.9331 -7.9331 4.5505 4.5505 4.7004 4.7004 5.8312 5.8312 6.1135 6.1135 6.2071 6.2071 7.2186 7.2186 11.2799 11.2799 11.5045 11.5045 12.1225 12.1225 13.6795 13.6795 13.8199 13.8199 k = 0.7170-0.2260-0.6147 ( 2618 PWs) bands (ev): -54.0370 -54.0370 -41.0079 -41.0079 -28.4929 -28.4929 -27.7419 -27.7419 -27.5181 -27.5181 -13.1454 -13.1454 -12.9646 -12.9646 -12.8919 -12.8919 -8.0781 -8.0781 -7.9339 -7.9339 4.5416 4.5416 4.7245 4.7245 5.8298 5.8298 6.1087 6.1087 6.2384 6.2384 7.2456 7.2456 11.2807 11.2807 11.4861 11.4861 12.1279 12.1279 13.6478 13.6478 13.8162 13.8162 k = 0.7123-0.2181-0.5995 ( 2618 PWs) bands (ev): -54.0377 -54.0377 -41.0085 -41.0085 -28.4904 -28.4904 -27.7382 -27.7382 -27.5182 -27.5182 -13.1430 -13.1430 -12.9626 -12.9626 -12.8923 -12.8923 -8.0972 -8.0972 -7.9347 -7.9347 4.5334 4.5334 4.7506 4.7506 5.8241 5.8241 6.1064 6.1064 6.2719 6.2719 7.2714 7.2714 11.2820 11.2820 11.4680 11.4680 12.1326 12.1326 13.6150 13.6150 13.8130 13.8130 k = 0.7075-0.2102-0.5843 ( 2622 PWs) bands (ev): -54.0385 -54.0385 -41.0090 -41.0090 -28.4877 -28.4877 -27.7344 -27.7344 -27.5184 -27.5184 -13.1406 -13.1406 -12.9607 -12.9607 -12.8925 -12.8925 -8.1170 -8.1170 -7.9354 -7.9354 4.5260 4.5260 4.7786 4.7786 5.8145 5.8145 6.1064 6.1064 6.3072 6.3072 7.2958 7.2958 11.2837 11.2837 11.4503 11.4503 12.1366 12.1366 13.5813 13.5813 13.8104 13.8104 k = 0.7028-0.2023-0.5691 ( 2616 PWs) bands (ev): -54.0392 -54.0392 -41.0095 -41.0095 -28.4849 -28.4849 -27.7304 -27.7304 -27.5186 -27.5186 -13.1378 -13.1378 -12.9588 -12.9588 -12.8926 -12.8926 -8.1375 -8.1375 -7.9360 -7.9360 4.5196 4.5196 4.8081 4.8081 5.8019 5.8019 6.1083 6.1083 6.3444 6.3444 7.3187 7.3187 11.2858 11.2858 11.4330 11.4330 12.1399 12.1399 13.5470 13.5470 13.8085 13.8085 k = 0.6981-0.1944-0.5540 ( 2616 PWs) bands (ev): -54.0400 -54.0400 -41.0101 -41.0101 -28.4821 -28.4821 -27.7264 -27.7264 -27.5188 -27.5188 -13.1350 -13.1350 -12.9572 -12.9572 -12.8926 -12.8926 -8.1585 -8.1585 -7.9365 -7.9365 4.5142 4.5142 4.8386 4.8386 5.7870 5.7870 6.1118 6.1118 6.3832 6.3832 7.3399 7.3399 11.2882 11.2882 11.4162 11.4162 12.1424 12.1424 13.5125 13.5125 13.8072 13.8072 k = 0.6934-0.1864-0.5388 ( 2612 PWs) bands (ev): -54.0409 -54.0409 -41.0106 -41.0106 -28.4791 -28.4791 -27.7222 -27.7222 -27.5190 -27.5190 -13.1321 -13.1321 -12.9556 -12.9556 -12.8925 -12.8925 -8.1801 -8.1801 -7.9370 -7.9370 4.5100 4.5100 4.8698 4.8698 5.7708 5.7708 6.1165 6.1165 6.4236 6.4236 7.3593 7.3593 11.2909 11.2909 11.3998 11.3998 12.1440 12.1440 13.4780 13.4780 13.8066 13.8066 k = 0.6887-0.1785-0.5236 ( 2616 PWs) bands (ev): -54.0417 -54.0417 -41.0112 -41.0112 -28.4762 -28.4762 -27.7180 -27.7180 -27.5193 -27.5193 -13.1292 -13.1292 -12.9542 -12.9542 -12.8923 -12.8923 -8.2022 -8.2022 -7.9374 -7.9374 4.5071 4.5071 4.9011 4.9011 5.7538 5.7538 6.1223 6.1223 6.4652 6.4652 7.3766 7.3766 11.2936 11.2936 11.3840 11.3840 12.1447 12.1447 13.4439 13.4439 13.8068 13.8068 k = 0.6840-0.1706-0.5084 ( 2618 PWs) bands (ev): -54.0425 -54.0425 -41.0118 -41.0118 -28.4731 -28.4731 -27.7137 -27.7137 -27.5195 -27.5195 -13.1262 -13.1262 -12.9529 -12.9529 -12.8919 -12.8919 -8.2247 -8.2247 -7.9377 -7.9377 4.5056 4.5056 4.9319 4.9319 5.7370 5.7370 6.1290 6.1290 6.5081 6.5081 7.3917 7.3917 11.2964 11.2964 11.3689 11.3689 12.1446 12.1446 13.4105 13.4105 13.8078 13.8078 k = 0.6792-0.1627-0.4932 ( 2622 PWs) bands (ev): -54.0434 -54.0434 -41.0124 -41.0124 -28.4700 -28.4700 -27.7094 -27.7094 -27.5198 -27.5198 -13.1231 -13.1231 -12.9517 -12.9517 -12.8913 -12.8913 -8.2476 -8.2476 -7.9380 -7.9380 4.5055 4.5055 4.9614 4.9614 5.7210 5.7210 6.1367 6.1367 6.5522 6.5522 7.4045 7.4045 11.2991 11.2991 11.3545 11.3545 12.1435 12.1435 13.3782 13.3782 13.8096 13.8096 k = 0.6745-0.1548-0.4781 ( 2624 PWs) bands (ev): -54.0443 -54.0443 -41.0130 -41.0130 -28.4668 -28.4668 -27.7049 -27.7049 -27.5201 -27.5201 -13.1201 -13.1201 -12.9506 -12.9506 -12.8906 -12.8906 -8.2708 -8.2708 -7.9383 -7.9383 4.5070 4.5070 4.9887 4.9887 5.7067 5.7067 6.1457 6.1457 6.5971 6.5971 7.4149 7.4149 11.3012 11.3012 11.3413 11.3413 12.1414 12.1414 13.3473 13.3473 13.8122 13.8122 k = 0.6698-0.1469-0.4629 ( 2622 PWs) bands (ev): -54.0452 -54.0452 -41.0137 -41.0137 -28.4636 -28.4636 -27.7003 -27.7003 -27.5204 -27.5204 -13.1170 -13.1170 -12.9496 -12.9496 -12.8898 -12.8898 -8.2942 -8.2942 -7.9385 -7.9385 4.5101 4.5101 5.0131 5.0131 5.6945 5.6945 6.1563 6.1563 6.6430 6.6430 7.4226 7.4226 11.3020 11.3020 11.3300 11.3300 12.1386 12.1386 13.3180 13.3180 13.8156 13.8156 k = 0.6651-0.1390-0.4477 ( 2622 PWs) bands (ev): -54.0461 -54.0461 -41.0143 -41.0143 -28.4604 -28.4604 -27.6957 -27.6957 -27.5207 -27.5207 -13.1140 -13.1140 -12.9486 -12.9486 -12.8887 -12.8887 -8.3179 -8.3179 -7.9387 -7.9387 4.5149 4.5149 5.0336 5.0336 5.6851 5.6851 6.1689 6.1689 6.6895 6.6895 7.4276 7.4276 11.2993 11.2993 11.3224 11.3224 12.1349 12.1349 13.2909 13.2909 13.8198 13.8198 k = 0.6604-0.1311-0.4325 ( 2622 PWs) bands (ev): -54.0470 -54.0470 -41.0149 -41.0149 -28.4571 -28.4571 -27.6911 -27.6911 -27.5210 -27.5210 -13.1110 -13.1110 -12.9476 -12.9476 -12.8876 -12.8876 -8.3417 -8.3417 -7.9388 -7.9388 4.5214 4.5214 5.0494 5.0494 5.6788 5.6788 6.1840 6.1840 6.7366 6.7366 7.4298 7.4298 11.2917 11.2917 11.3200 11.3200 12.1302 12.1302 13.2661 13.2661 13.8247 13.8247 k = 0.6557-0.1232-0.4173 ( 2618 PWs) bands (ev): -54.0479 -54.0479 -41.0155 -41.0155 -28.4538 -28.4538 -27.6864 -27.6864 -27.5213 -27.5213 -13.1082 -13.1082 -12.9466 -12.9466 -12.8863 -12.8863 -8.3656 -8.3656 -7.9389 -7.9389 4.5297 4.5297 5.0598 5.0598 5.6756 5.6756 6.2024 6.2024 6.7841 6.7841 7.4290 7.4290 11.2816 11.2816 11.3203 11.3203 12.1249 12.1249 13.2440 13.2440 13.8304 13.8304 k = 0.6509-0.1153-0.4022 ( 2622 PWs) bands (ev): -54.0488 -54.0488 -41.0162 -41.0162 -28.4506 -28.4506 -27.6817 -27.6817 -27.5216 -27.5216 -13.1055 -13.1055 -12.9456 -12.9456 -12.8850 -12.8850 -8.3895 -8.3895 -7.9390 -7.9390 4.5399 4.5399 5.0647 5.0647 5.6752 5.6752 6.2245 6.2245 6.8319 6.8319 7.4252 7.4252 11.2707 11.2707 11.3213 11.3213 12.1188 12.1188 13.2248 13.2248 13.8367 13.8367 k = 0.6462-0.1074-0.3870 ( 2622 PWs) bands (ev): -54.0497 -54.0497 -41.0168 -41.0168 -28.4473 -28.4473 -27.6769 -27.6769 -27.5220 -27.5220 -13.1029 -13.1029 -12.9446 -12.9446 -12.8835 -12.8835 -8.4134 -8.4134 -7.9391 -7.9391 4.5519 4.5519 5.0642 5.0642 5.6769 5.6769 6.2510 6.2510 6.8798 6.8798 7.4183 7.4183 11.2597 11.2597 11.3222 11.3222 12.1120 12.1120 13.2088 13.2088 13.8436 13.8436 k = 0.6415-0.0995-0.3718 ( 2612 PWs) bands (ev): -54.0506 -54.0506 -41.0174 -41.0174 -28.4440 -28.4440 -27.6720 -27.6720 -27.5222 -27.5222 -13.1005 -13.1005 -12.9433 -12.9433 -12.8819 -12.8819 -8.4372 -8.4372 -7.9391 -7.9391 4.5658 4.5658 5.0587 5.0587 5.6799 5.6799 6.2824 6.2824 6.9278 6.9278 7.4083 7.4083 11.2489 11.2489 11.3228 11.3228 12.1047 12.1047 13.1965 13.1965 13.8510 13.8510 k = 0.6368-0.0915-0.3566 ( 2616 PWs) bands (ev): -54.0516 -54.0516 -41.0181 -41.0181 -28.4408 -28.4408 -27.6673 -27.6673 -27.5226 -27.5226 -13.0983 -13.0983 -12.9422 -12.9422 -12.8802 -12.8802 -8.4609 -8.4609 -7.9392 -7.9392 4.5816 4.5816 5.0487 5.0487 5.6832 5.6832 6.3190 6.3190 6.9756 6.9756 7.3952 7.3952 11.2382 11.2382 11.3228 11.3228 12.0967 12.0967 13.1877 13.1877 13.8589 13.8589 k = 0.6321-0.0836-0.3414 ( 2612 PWs) bands (ev): -54.0525 -54.0525 -41.0187 -41.0187 -28.4376 -28.4376 -27.6625 -27.6625 -27.5229 -27.5229 -13.0963 -13.0963 -12.9408 -12.9408 -12.8784 -12.8784 -8.4844 -8.4844 -7.9393 -7.9393 4.5993 4.5993 5.0350 5.0350 5.6861 5.6861 6.3608 6.3608 7.0232 7.0232 7.3790 7.3790 11.2276 11.2276 11.3221 11.3221 12.0884 12.0884 13.1828 13.1828 13.8673 13.8673 k = 0.6274-0.0757-0.3263 ( 2608 PWs) bands (ev): -54.0533 -54.0533 -41.0193 -41.0193 -28.4344 -28.4344 -27.6577 -27.6577 -27.5232 -27.5232 -13.0946 -13.0946 -12.9394 -12.9394 -12.8766 -12.8766 -8.5076 -8.5076 -7.9393 -7.9393 4.6190 4.6190 5.0183 5.0183 5.6881 5.6881 6.4078 6.4078 7.0702 7.0702 7.3598 7.3598 11.2172 11.2172 11.3205 11.3205 12.0797 12.0797 13.1820 13.1820 13.8759 13.8759 k = 0.6226-0.0678-0.3111 ( 2608 PWs) bands (ev): -54.0542 -54.0542 -41.0199 -41.0199 -28.4313 -28.4313 -27.6529 -27.6529 -27.5235 -27.5235 -13.0931 -13.0931 -12.9378 -12.9378 -12.8746 -12.8746 -8.5305 -8.5305 -7.9394 -7.9394 4.6406 4.6406 4.9994 4.9994 5.6886 5.6886 6.4596 6.4596 7.1163 7.1163 7.3380 7.3380 11.2068 11.2068 11.3180 11.3180 12.0706 12.0706 13.1854 13.1854 13.8848 13.8848 k = 0.6179-0.0599-0.2959 ( 2606 PWs) bands (ev): -54.0551 -54.0551 -41.0205 -41.0205 -28.4283 -28.4283 -27.6482 -27.6482 -27.5238 -27.5238 -13.0918 -13.0918 -12.9362 -12.9362 -12.8727 -12.8727 -8.5530 -8.5530 -7.9394 -7.9394 4.6641 4.6641 4.9787 4.9787 5.6877 5.6877 6.5159 6.5159 7.1608 7.1608 7.3141 7.3141 11.1965 11.1965 11.3145 11.3145 12.0614 12.0614 13.1928 13.1928 13.8938 13.8938 k = 0.6132-0.0520-0.2807 ( 2610 PWs) bands (ev): -54.0560 -54.0560 -41.0211 -41.0211 -28.4254 -28.4254 -27.6436 -27.6436 -27.5242 -27.5242 -13.0908 -13.0908 -12.9344 -12.9344 -12.8707 -12.8707 -8.5751 -8.5751 -7.9395 -7.9395 4.6895 4.6895 4.9567 4.9567 5.6852 5.6852 6.5759 6.5759 7.2007 7.2007 7.2910 7.2910 11.1862 11.1862 11.3100 11.3100 12.0521 12.0521 13.2044 13.2044 13.9029 13.9029 k = 0.6085-0.0441-0.2655 ( 2608 PWs) bands (ev): -54.0568 -54.0568 -41.0217 -41.0217 -28.4225 -28.4225 -27.6390 -27.6390 -27.5244 -27.5244 -13.0900 -13.0900 -12.9326 -12.9326 -12.8685 -12.8685 -8.5968 -8.5968 -7.9396 -7.9396 4.7169 4.7169 4.9339 4.9339 5.6814 5.6814 6.6393 6.6393 7.2204 7.2204 7.2845 7.2845 11.1761 11.1761 11.3043 11.3043 12.0426 12.0426 13.2202 13.2202 13.9119 13.9119 k = 0.6038-0.0362-0.2504 ( 2610 PWs) bands (ev): -54.0576 -54.0576 -41.0223 -41.0223 -28.4197 -28.4197 -27.6345 -27.6345 -27.5247 -27.5247 -13.0895 -13.0895 -12.9307 -12.9307 -12.8664 -12.8664 -8.6179 -8.6179 -7.9397 -7.9397 4.7460 4.7460 4.9107 4.9107 5.6764 5.6764 6.7054 6.7054 7.2018 7.2018 7.3125 7.3125 11.1659 11.1659 11.2975 11.2975 12.0333 12.0333 13.2401 13.2401 13.9209 13.9209 k = 0.5991-0.0283-0.2352 ( 2614 PWs) bands (ev): -54.0584 -54.0584 -41.0229 -41.0229 -28.4170 -28.4170 -27.6301 -27.6301 -27.5250 -27.5250 -13.0891 -13.0891 -12.9288 -12.9288 -12.8642 -12.8642 -8.6384 -8.6384 -7.9398 -7.9398 4.7770 4.7770 4.8873 4.8873 5.6703 5.6703 6.7736 6.7736 7.1686 7.1686 7.3514 7.3514 11.1559 11.1559 11.2895 11.2895 12.0240 12.0240 13.2638 13.2638 13.9298 13.9298 k = 0.5943-0.0204-0.2200 ( 2620 PWs) bands (ev): -54.0592 -54.0592 -41.0234 -41.0234 -28.4144 -28.4144 -27.6258 -27.6258 -27.5253 -27.5253 -13.0890 -13.0890 -12.9269 -12.9269 -12.8620 -12.8620 -8.6583 -8.6583 -7.9399 -7.9399 4.8097 4.8097 4.8639 4.8639 5.6633 5.6633 6.8434 6.8434 7.1305 7.1305 7.3916 7.3916 11.1460 11.1460 11.2803 11.2803 12.0149 12.0149 13.2914 13.2914 13.9384 13.9384 k = 0.5896-0.0125-0.2048 ( 2618 PWs) bands (ev): -54.0600 -54.0600 -41.0239 -41.0239 -28.4119 -28.4119 -27.6216 -27.6216 -27.5255 -27.5255 -13.0890 -13.0890 -12.9249 -12.9249 -12.8597 -12.8597 -8.6776 -8.6776 -7.9400 -7.9400 4.8389 4.8389 4.8461 4.8461 5.6557 5.6557 6.9142 6.9142 7.0894 7.0894 7.4314 7.4314 11.1364 11.1364 11.2699 11.2699 12.0060 12.0060 13.3225 13.3225 13.9468 13.9468 k = 0.5849-0.0046-0.1897 ( 2612 PWs) bands (ev): -54.0607 -54.0607 -41.0244 -41.0244 -28.4094 -28.4094 -27.6175 -27.6175 -27.5257 -27.5257 -13.0891 -13.0891 -12.9229 -12.9229 -12.8574 -12.8574 -8.6961 -8.6961 -7.9401 -7.9401 4.8178 4.8178 4.8809 4.8809 5.6477 5.6477 6.9847 6.9847 7.0466 7.0466 7.4701 7.4701 11.1271 11.1271 11.2585 11.2585 11.9974 11.9974 13.3569 13.3569 13.9548 13.9548 k = 0.5802 0.0033-0.1745 ( 2620 PWs) bands (ev): -54.0614 -54.0614 -41.0249 -41.0249 -28.4072 -28.4072 -27.6137 -27.6137 -27.5259 -27.5259 -13.0894 -13.0894 -12.9210 -12.9210 -12.8552 -12.8552 -8.7139 -8.7139 -7.9402 -7.9402 4.7957 4.7957 4.9185 4.9185 5.6392 5.6392 6.9972 6.9972 7.0597 7.0597 7.5075 7.5075 11.1179 11.1179 11.2459 11.2459 11.9890 11.9890 13.3944 13.3944 13.9624 13.9624 k = 0.5755 0.0113-0.1593 ( 2616 PWs) bands (ev): -54.0621 -54.0621 -41.0254 -41.0254 -28.4050 -28.4050 -27.6099 -27.6099 -27.5260 -27.5260 -13.0898 -13.0898 -12.9191 -12.9191 -12.8528 -12.8528 -8.7309 -8.7309 -7.9404 -7.9404 4.7743 4.7743 4.9578 4.9578 5.6306 5.6306 6.9504 6.9504 7.1299 7.1299 7.5434 7.5434 11.1091 11.1091 11.2323 11.2323 11.9810 11.9810 13.4346 13.4346 13.9696 13.9696 k = 0.5708 0.0192-0.1441 ( 2612 PWs) bands (ev): -54.0627 -54.0627 -41.0258 -41.0258 -28.4029 -28.4029 -27.6063 -27.6063 -27.5262 -27.5262 -13.0902 -13.0902 -12.9173 -12.9173 -12.8505 -12.8505 -8.7470 -8.7470 -7.9405 -7.9405 4.7538 4.7538 4.9985 4.9985 5.6220 5.6220 6.9011 6.9011 7.2002 7.2002 7.5776 7.5776 11.1008 11.1008 11.2179 11.2179 11.9734 11.9734 13.4772 13.4772 13.9764 13.9764 k = 0.5660 0.0271-0.1289 ( 2618 PWs) bands (ev): -54.0633 -54.0633 -41.0263 -41.0263 -28.4009 -28.4009 -27.6029 -27.6029 -27.5263 -27.5263 -13.0908 -13.0908 -12.9156 -12.9156 -12.8483 -12.8483 -8.7623 -8.7623 -7.9406 -7.9406 4.7342 4.7342 5.0405 5.0405 5.6135 5.6135 6.8503 6.8503 7.2692 7.2692 7.6101 7.6101 11.0927 11.0927 11.2027 11.2027 11.9661 11.9661 13.5217 13.5217 13.9827 13.9827 k = 0.5613 0.0350-0.1138 ( 2618 PWs) bands (ev): -54.0639 -54.0639 -41.0267 -41.0267 -28.3991 -28.3991 -27.5997 -27.5997 -27.5264 -27.5264 -13.0914 -13.0914 -12.9139 -12.9139 -12.8461 -12.8461 -8.7767 -8.7767 -7.9408 -7.9408 4.7156 4.7156 5.0835 5.0835 5.6051 5.6051 6.7984 6.7984 7.3365 7.3365 7.6408 7.6408 11.0852 11.0852 11.1869 11.1869 11.9593 11.9593 13.5679 13.5679 13.9885 13.9885 k = 0.5566 0.0429-0.0986 ( 2624 PWs) bands (ev): -54.0645 -54.0645 -41.0271 -41.0271 -28.3975 -28.3975 -27.5967 -27.5967 -27.5265 -27.5265 -13.0920 -13.0920 -12.9125 -12.9125 -12.8441 -12.8441 -8.7901 -8.7901 -7.9409 -7.9409 4.6980 4.6980 5.1275 5.1275 5.5970 5.5970 6.7457 6.7457 7.4016 7.4016 7.6695 7.6695 11.0782 11.0782 11.1707 11.1707 11.9528 11.9528 13.6151 13.6151 13.9938 13.9938 k = 0.5519 0.0508-0.0834 ( 2628 PWs) bands (ev): -54.0650 -54.0650 -41.0274 -41.0274 -28.3959 -28.3959 -27.5940 -27.5940 -27.5266 -27.5266 -13.0927 -13.0927 -12.9111 -12.9111 -12.8421 -12.8421 -8.8026 -8.8026 -7.9411 -7.9411 4.6817 4.6817 5.1721 5.1721 5.5893 5.5893 6.6927 6.6927 7.4639 7.4639 7.6962 7.6962 11.0717 11.0717 11.1544 11.1544 11.9469 11.9469 13.6630 13.6630 13.9985 13.9985 k = 0.5472 0.0587-0.0682 ( 2626 PWs) bands (ev): -54.0654 -54.0654 -41.0277 -41.0277 -28.3945 -28.3945 -27.5914 -27.5914 -27.5266 -27.5266 -13.0933 -13.0933 -12.9098 -12.9098 -12.8401 -12.8401 -8.8141 -8.8141 -7.9412 -7.9412 4.6666 4.6666 5.2173 5.2173 5.5820 5.5820 6.6395 6.6395 7.5229 7.5229 7.7209 7.7209 11.0658 11.0658 11.1381 11.1381 11.9414 11.9414 13.7109 13.7109 14.0028 14.0028 k = 0.5425 0.0666-0.0530 ( 2628 PWs) bands (ev): -54.0658 -54.0658 -41.0280 -41.0280 -28.3932 -28.3932 -27.5891 -27.5891 -27.5266 -27.5266 -13.0939 -13.0939 -12.9086 -12.9086 -12.8383 -12.8383 -8.8246 -8.8246 -7.9414 -7.9414 4.6527 4.6527 5.2624 5.2624 5.5752 5.5752 6.5868 6.5868 7.5782 7.5782 7.7435 7.7435 11.0604 11.0604 11.1221 11.1221 11.9363 11.9363 13.7582 13.7582 14.0066 14.0066 k = 0.5377 0.0745-0.0379 ( 2632 PWs) bands (ev): -54.0662 -54.0662 -41.0283 -41.0283 -28.3920 -28.3920 -27.5870 -27.5870 -27.5267 -27.5267 -13.0945 -13.0945 -12.9076 -12.9076 -12.8367 -12.8367 -8.8340 -8.8340 -7.9415 -7.9415 4.6402 4.6402 5.3073 5.3073 5.5690 5.5690 6.5349 6.5349 7.6291 7.6291 7.7640 7.7640 11.0556 11.0556 11.1067 11.1067 11.9317 11.9317 13.8043 13.8043 14.0099 14.0099 k = 0.5330 0.0824-0.0227 ( 2634 PWs) bands (ev): -54.0666 -54.0666 -41.0285 -41.0285 -28.3910 -28.3910 -27.5851 -27.5851 -27.5266 -27.5266 -13.0951 -13.0951 -12.9067 -12.9067 -12.8352 -12.8352 -8.8424 -8.8424 -7.9416 -7.9416 4.6291 4.6291 5.3512 5.3512 5.5634 5.5634 6.4846 6.4846 7.6753 7.6753 7.7823 7.7823 11.0513 11.0513 11.0922 11.0922 11.9277 11.9277 13.8482 13.8482 14.0127 14.0127 k = 0.5283 0.0903-0.0075 ( 2636 PWs) bands (ev): -54.0669 -54.0669 -41.0288 -41.0288 -28.3901 -28.3901 -27.5835 -27.5835 -27.5266 -27.5266 -13.0956 -13.0956 -12.9059 -12.9059 -12.8338 -12.8338 -8.8497 -8.8497 -7.9417 -7.9417 4.6194 4.6194 5.3935 5.3935 5.5585 5.5585 6.4366 6.4366 7.7161 7.7161 7.7986 7.7986 11.0477 11.0477 11.0790 11.0790 11.9241 11.9241 13.8892 13.8892 14.0151 14.0151 k = 0.5236 0.0982 0.0077 ( 2636 PWs) bands (ev): -54.0671 -54.0671 -41.0289 -41.0289 -28.3893 -28.3893 -27.5822 -27.5822 -27.5266 -27.5266 -13.0960 -13.0960 -12.9052 -12.9052 -12.8326 -12.8326 -8.8559 -8.8559 -7.9418 -7.9418 4.6111 4.6111 5.4332 5.4332 5.5543 5.5543 6.3919 6.3919 7.7510 7.7510 7.8129 7.8129 11.0446 11.0446 11.0671 11.0671 11.9211 11.9211 13.9264 13.9264 14.0171 14.0171 k = 0.5189 0.1062 0.0229 ( 2638 PWs) bands (ev): -54.0673 -54.0673 -41.0291 -41.0291 -28.3887 -28.3887 -27.5811 -27.5811 -27.5266 -27.5266 -13.0964 -13.0964 -12.9047 -12.9047 -12.8317 -12.8317 -8.8610 -8.8610 -7.9419 -7.9419 4.6043 4.6043 5.4692 5.4692 5.5509 5.5509 6.3518 6.3518 7.7793 7.7793 7.8255 7.8255 11.0420 11.0420 11.0571 11.0571 11.9186 11.9186 13.9587 13.9587 14.0188 14.0188 k = 0.5142 0.1141 0.0380 ( 2644 PWs) bands (ev): -54.0675 -54.0675 -41.0292 -41.0292 -28.3883 -28.3883 -27.5802 -27.5802 -27.5266 -27.5266 -13.0967 -13.0967 -12.9043 -12.9043 -12.8310 -12.8310 -8.8650 -8.8650 -7.9419 -7.9419 4.5990 4.5990 5.4998 5.4998 5.5482 5.5482 6.3178 6.3178 7.8005 7.8005 7.8365 7.8365 11.0400 11.0400 11.0490 11.0490 11.9166 11.9166 13.9850 13.9850 14.0200 14.0200 k = 0.5094 0.1220 0.0532 ( 2644 PWs) bands (ev): -54.0676 -54.0676 -41.0293 -41.0293 -28.3879 -28.3879 -27.5796 -27.5796 -27.5266 -27.5266 -13.0969 -13.0969 -12.9040 -12.9040 -12.8304 -12.8304 -8.8678 -8.8678 -7.9420 -7.9420 4.5952 4.5952 5.5233 5.5233 5.5466 5.5466 6.2917 6.2917 7.8144 7.8144 7.8458 7.8458 11.0383 11.0383 11.0433 11.0433 11.9152 11.9152 14.0045 14.0045 14.0212 14.0212 k = 0.5047 0.1299 0.0684 ( 2644 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3877 -28.3877 -27.5792 -27.5792 -27.5265 -27.5265 -13.0970 -13.0970 -12.9038 -12.9038 -12.8301 -12.8301 -8.8696 -8.8696 -7.9420 -7.9420 4.5929 4.5929 5.5371 5.5371 5.5467 5.5467 6.2751 6.2751 7.8220 7.8220 7.8522 7.8522 11.0369 11.0369 11.0403 11.0403 11.9144 11.9144 14.0156 14.0156 14.0227 14.0227 k = 0.5000 0.1378 0.0836 ( 2648 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0971 -13.0971 -12.9038 -12.9038 -12.8300 -12.8300 -8.8701 -8.8701 -7.9420 -7.9420 4.5921 4.5921 5.5404 5.5404 5.5482 5.5482 6.2694 6.2694 7.8244 7.8244 7.8545 7.8545 11.0362 11.0362 11.0394 11.0394 11.9141 11.9141 14.0183 14.0183 14.0243 14.0243 k = 0.5000 0.1378 0.0836 ( 2648 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0971 -13.0971 -12.9038 -12.9038 -12.8300 -12.8300 -8.8701 -8.8701 -7.9420 -7.9420 4.5921 4.5921 5.5404 5.5404 5.5482 5.5482 6.2694 6.2694 7.8244 7.8244 7.8545 7.8545 11.0362 11.0362 11.0394 11.0394 11.9141 11.9141 14.0183 14.0183 14.0243 14.0243 k = 0.4833 0.1332 0.0808 ( 2648 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0971 -13.0971 -12.9037 -12.9037 -12.8300 -12.8300 -8.8709 -8.8709 -7.9413 -7.9413 4.5890 4.5890 5.5403 5.5403 5.5482 5.5482 6.2736 6.2736 7.8245 7.8245 7.8547 7.8547 11.0362 11.0362 11.0394 11.0394 11.9141 11.9141 14.0182 14.0182 14.0241 14.0241 k = 0.4667 0.1286 0.0780 ( 2642 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0969 -13.0969 -12.9037 -12.9037 -12.8300 -12.8300 -8.8730 -8.8730 -7.9390 -7.9390 4.5796 4.5796 5.5401 5.5401 5.5479 5.5479 6.2864 6.2864 7.8251 7.8251 7.8552 7.8552 11.0361 11.0361 11.0394 11.0394 11.9141 11.9141 14.0179 14.0179 14.0238 14.0238 k = 0.4500 0.1240 0.0752 ( 2642 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0967 -13.0967 -12.9036 -12.9036 -12.8300 -12.8300 -8.8766 -8.8766 -7.9352 -7.9352 4.5643 4.5643 5.5397 5.5397 5.5475 5.5475 6.3072 6.3072 7.8259 7.8259 7.8560 7.8560 11.0360 11.0360 11.0393 11.0393 11.9140 11.9140 14.0173 14.0173 14.0233 14.0233 k = 0.4333 0.1194 0.0724 ( 2639 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0963 -13.0963 -12.9034 -12.9034 -12.8299 -12.8299 -8.8816 -8.8816 -7.9300 -7.9300 4.5436 4.5436 5.5391 5.5391 5.5470 5.5470 6.3356 6.3356 7.8271 7.8271 7.8572 7.8572 11.0358 11.0358 11.0391 11.0391 11.9139 11.9139 14.0166 14.0166 14.0225 14.0225 k = 0.4167 0.1148 0.0697 ( 2633 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0959 -13.0959 -12.9033 -12.9033 -12.8299 -12.8299 -8.8878 -8.8878 -7.9236 -7.9236 4.5183 4.5183 5.5384 5.5384 5.5462 5.5462 6.3707 6.3707 7.8285 7.8285 7.8587 7.8587 11.0357 11.0357 11.0390 11.0390 11.9138 11.9138 14.0156 14.0156 14.0215 14.0215 k = 0.4000 0.1102 0.0669 ( 2633 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0954 -13.0954 -12.9031 -12.9031 -12.8299 -12.8299 -8.8951 -8.8951 -7.9159 -7.9159 4.4891 4.4891 5.5375 5.5375 5.5454 5.5454 6.4118 6.4118 7.8303 7.8303 7.8604 7.8604 11.0354 11.0354 11.0387 11.0387 11.9136 11.9136 14.0144 14.0144 14.0203 14.0203 k = 0.3833 0.1056 0.0641 ( 2633 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0949 -13.0949 -12.9029 -12.9029 -12.8299 -12.8299 -8.9034 -8.9034 -7.9072 -7.9072 4.4566 4.4566 5.5365 5.5365 5.5444 5.5444 6.4580 6.4580 7.8323 7.8323 7.8624 7.8624 11.0352 11.0352 11.0384 11.0384 11.9133 11.9133 14.0130 14.0130 14.0190 14.0190 k = 0.3667 0.1010 0.0613 ( 2633 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0943 -13.0943 -12.9027 -12.9027 -12.8299 -12.8299 -8.9126 -8.9126 -7.8976 -7.8976 4.4217 4.4217 5.5354 5.5354 5.5432 5.5432 6.5085 6.5085 7.8346 7.8346 7.8647 7.8647 11.0348 11.0348 11.0381 11.0381 11.9127 11.9127 14.0115 14.0115 14.0174 14.0174 k = 0.3500 0.0965 0.0585 ( 2645 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5266 -27.5266 -13.0937 -13.0937 -12.9025 -12.9025 -12.8300 -12.8300 -8.9225 -8.9225 -7.8872 -7.8872 4.3850 4.3850 5.5341 5.5341 5.5419 5.5419 6.5626 6.5626 7.8370 7.8370 7.8672 7.8672 11.0344 11.0344 11.0377 11.0377 11.9120 11.9120 14.0098 14.0098 14.0157 14.0157 k = 0.3333 0.0919 0.0557 ( 2639 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0929 -13.0929 -12.9022 -12.9022 -12.8300 -12.8300 -8.9330 -8.9330 -7.8762 -7.8762 4.3473 4.3473 5.5327 5.5327 5.5406 5.5406 6.6195 6.6195 7.8397 7.8397 7.8699 7.8699 11.0341 11.0341 11.0374 11.0374 11.9112 11.9112 14.0080 14.0080 14.0139 14.0139 k = 0.3167 0.0873 0.0529 ( 2639 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5266 -27.5266 -13.0921 -13.0921 -12.9019 -12.9019 -12.8299 -12.8299 -8.9439 -8.9439 -7.8648 -7.8648 4.3088 4.3088 5.5313 5.5313 5.5392 5.5392 6.6784 6.6784 7.8426 7.8426 7.8728 7.8728 11.0337 11.0337 11.0370 11.0370 11.9102 11.9102 14.0061 14.0061 14.0120 14.0120 k = 0.3000 0.0827 0.0501 ( 2627 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5790 -27.5790 -27.5265 -27.5265 -13.0912 -13.0912 -12.9015 -12.9015 -12.8299 -12.8299 -8.9551 -8.9551 -7.8530 -7.8530 4.2703 4.2703 5.5298 5.5298 5.5377 5.5377 6.7388 6.7388 7.8456 7.8456 7.8758 7.8758 11.0333 11.0333 11.0366 11.0366 11.9092 11.9092 14.0041 14.0041 14.0100 14.0100 k = 0.2833 0.0781 0.0474 ( 2618 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5264 -27.5264 -13.0903 -13.0903 -12.9012 -12.9012 -12.8299 -12.8299 -8.9664 -8.9664 -7.8410 -7.8410 4.2321 4.2321 5.5283 5.5283 5.5362 5.5362 6.8000 6.8000 7.8487 7.8487 7.8789 7.8789 11.0328 11.0328 11.0362 11.0362 11.9079 11.9079 14.0020 14.0020 14.0079 14.0079 k = 0.2667 0.0735 0.0446 ( 2612 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5264 -27.5264 -13.0894 -13.0894 -12.9008 -12.9008 -12.8298 -12.8298 -8.9778 -8.9778 -7.8290 -7.8290 4.1945 4.1945 5.5268 5.5268 5.5347 5.5347 6.8614 6.8614 7.8519 7.8519 7.8821 7.8821 11.0324 11.0324 11.0358 11.0358 11.9063 11.9063 13.9998 13.9998 14.0057 14.0057 k = 0.2500 0.0689 0.0418 ( 2612 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5264 -27.5264 -13.0885 -13.0885 -12.9005 -12.9005 -12.8298 -12.8298 -8.9891 -8.9891 -7.8171 -7.8171 4.1579 4.1579 5.5252 5.5252 5.5331 5.5331 6.9224 6.9224 7.8551 7.8551 7.8853 7.8853 11.0319 11.0319 11.0353 11.0353 11.9043 11.9043 13.9977 13.9977 14.0036 14.0036 k = 0.2333 0.0643 0.0390 ( 2618 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5265 -27.5265 -13.0878 -13.0878 -12.9002 -12.9002 -12.8298 -12.8298 -9.0002 -9.0002 -7.8054 -7.8054 4.1226 4.1226 5.5236 5.5236 5.5315 5.5315 6.9825 6.9825 7.8582 7.8582 7.8884 7.8884 11.0314 11.0314 11.0349 11.0349 11.9021 11.9021 13.9955 13.9955 14.0014 14.0014 k = 0.2167 0.0597 0.0362 ( 2606 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5789 -27.5789 -27.5265 -27.5265 -13.0869 -13.0869 -12.8998 -12.8998 -12.8297 -12.8297 -9.0109 -9.0109 -7.7941 -7.7941 4.0888 4.0888 5.5221 5.5221 5.5300 5.5300 7.0412 7.0412 7.8615 7.8615 7.8917 7.8917 11.0310 11.0310 11.0345 11.0345 11.8996 11.8996 13.9934 13.9934 13.9992 13.9992 k = 0.2000 0.0551 0.0334 ( 2622 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5266 -27.5266 -13.0862 -13.0862 -12.8995 -12.8995 -12.8298 -12.8298 -9.0213 -9.0213 -7.7832 -7.7832 4.0567 4.0567 5.5205 5.5205 5.5284 5.5284 7.0981 7.0981 7.8646 7.8646 7.8947 7.8947 11.0305 11.0305 11.0339 11.0339 11.8968 11.8968 13.9912 13.9912 13.9971 13.9971 k = 0.1833 0.0505 0.0306 ( 2616 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5789 -27.5789 -27.5266 -27.5266 -13.0854 -13.0854 -12.8992 -12.8992 -12.8298 -12.8298 -9.0311 -9.0311 -7.7727 -7.7727 4.0267 4.0267 5.5191 5.5191 5.5270 5.5270 7.1526 7.1526 7.8676 7.8676 7.8977 7.8977 11.0301 11.0301 11.0336 11.0336 11.8938 11.8938 13.9892 13.9892 13.9948 13.9948 k = 0.1667 0.0459 0.0279 ( 2616 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5789 -27.5789 -27.5266 -27.5266 -13.0846 -13.0846 -12.8988 -12.8988 -12.8298 -12.8298 -9.0403 -9.0403 -7.7630 -7.7630 3.9988 3.9988 5.5177 5.5177 5.5256 5.5256 7.2043 7.2043 7.8704 7.8704 7.9006 7.9006 11.0297 11.0297 11.0332 11.0332 11.8906 11.8906 13.9491 13.9491 13.9872 13.9872 k = 0.1500 0.0413 0.0251 ( 2616 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5789 -27.5789 -27.5266 -27.5266 -13.0839 -13.0839 -12.8985 -12.8985 -12.8297 -12.8297 -9.0489 -9.0489 -7.7539 -7.7539 3.9731 3.9731 5.5164 5.5164 5.5243 5.5243 7.2527 7.2527 7.8731 7.8731 7.9033 7.9033 11.0293 11.0293 11.0328 11.0328 11.8873 11.8873 13.8913 13.8913 13.9854 13.9854 k = 0.1333 0.0367 0.0223 ( 2622 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5790 -27.5790 -27.5266 -27.5266 -13.0833 -13.0833 -12.8983 -12.8983 -12.8298 -12.8298 -9.0568 -9.0568 -7.7455 -7.7455 3.9498 3.9498 5.5151 5.5151 5.5230 5.5230 7.2974 7.2974 7.8756 7.8756 7.9057 7.9057 11.0289 11.0289 11.0324 11.0324 11.8840 11.8840 13.8386 13.8386 13.9837 13.9837 k = 0.1167 0.0322 0.0195 ( 2619 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5790 -27.5790 -27.5266 -27.5266 -13.0827 -13.0827 -12.8980 -12.8980 -12.8298 -12.8298 -9.0638 -9.0638 -7.7380 -7.7380 3.9291 3.9291 5.5140 5.5140 5.5219 5.5219 7.3380 7.3380 7.8779 7.8779 7.9079 7.9079 11.0286 11.0286 11.0321 11.0321 11.8808 11.8808 13.7915 13.7915 13.9821 13.9821 k = 0.1000 0.0276 0.0167 ( 2616 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3875 -28.3875 -27.5789 -27.5789 -27.5266 -27.5266 -13.0821 -13.0821 -12.8978 -12.8978 -12.8298 -12.8298 -9.0701 -9.0701 -7.7314 -7.7314 3.9109 3.9109 5.5131 5.5131 5.5210 5.5210 7.3740 7.3740 7.8799 7.8799 7.9099 7.9099 11.0283 11.0283 11.0319 11.0319 11.8776 11.8776 13.7503 13.7503 13.9808 13.9808 k = 0.0833 0.0230 0.0139 ( 2622 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5789 -27.5789 -27.5267 -27.5267 -13.0817 -13.0817 -12.8976 -12.8976 -12.8298 -12.8298 -9.0754 -9.0754 -7.7257 -7.7257 3.8953 3.8953 5.5122 5.5122 5.5201 5.5201 7.4051 7.4051 7.8817 7.8817 7.9117 7.9117 11.0280 11.0280 11.0316 11.0316 11.8747 11.8747 13.7150 13.7150 13.9795 13.9795 k = 0.0667 0.0184 0.0111 ( 2622 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5789 -27.5789 -27.5267 -27.5267 -13.0814 -13.0814 -12.8975 -12.8975 -12.8298 -12.8298 -9.0798 -9.0798 -7.7210 -7.7210 3.8825 3.8825 5.5115 5.5115 5.5194 5.5194 7.4311 7.4311 7.8831 7.8831 7.9131 7.9131 11.0278 11.0278 11.0314 11.0314 11.8721 11.8721 13.6858 13.6858 13.9786 13.9786 k = 0.0500 0.0138 0.0084 ( 2628 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5790 -27.5790 -27.5267 -27.5267 -13.0811 -13.0811 -12.8974 -12.8974 -12.8298 -12.8298 -9.0833 -9.0833 -7.7173 -7.7173 3.8725 3.8725 5.5110 5.5110 5.5188 5.5188 7.4516 7.4516 7.8843 7.8843 7.9143 7.9143 11.0276 11.0276 11.0312 11.0312 11.8700 11.8700 13.6630 13.6630 13.9777 13.9777 k = 0.0333 0.0092 0.0056 ( 2625 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5790 -27.5790 -27.5267 -27.5267 -13.0808 -13.0808 -12.8973 -12.8973 -12.8298 -12.8298 -9.0858 -9.0858 -7.7147 -7.7147 3.8653 3.8653 5.5106 5.5106 5.5185 5.5185 7.4663 7.4663 7.8852 7.8852 7.9151 7.9151 11.0275 11.0275 11.0311 11.0311 11.8685 11.8685 13.6467 13.6467 13.9772 13.9772 k = 0.0167 0.0046 0.0028 ( 2625 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5790 -27.5790 -27.5267 -27.5267 -13.0807 -13.0807 -12.8972 -12.8972 -12.8298 -12.8298 -9.0873 -9.0873 -7.7131 -7.7131 3.8610 3.8610 5.5103 5.5103 5.5182 5.5182 7.4753 7.4753 7.8857 7.8857 7.9156 7.9156 11.0274 11.0274 11.0310 11.0310 11.8675 11.8675 13.6368 13.6368 13.9768 13.9768 k = 0.0000 0.0000 0.0000 ( 2619 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5789 -27.5789 -27.5266 -27.5266 -13.0806 -13.0806 -12.8971 -12.8971 -12.8298 -12.8298 -9.0878 -9.0878 -7.7125 -7.7125 3.8596 3.8596 5.5103 5.5103 5.5182 5.5182 7.4783 7.4783 7.8858 7.8858 7.9157 7.9157 11.0274 11.0274 11.0310 11.0310 11.8671 11.8671 13.6335 13.6335 13.9768 13.9768 k = 0.0000 0.0000 0.0000 ( 2619 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5789 -27.5789 -27.5266 -27.5266 -13.0806 -13.0806 -12.8971 -12.8971 -12.8298 -12.8298 -9.0878 -9.0878 -7.7125 -7.7125 3.8596 3.8596 5.5103 5.5103 5.5182 5.5182 7.4783 7.4783 7.8858 7.8858 7.9157 7.9157 11.0274 11.0274 11.0310 11.0310 11.8671 11.8671 13.6335 13.6335 13.9768 13.9768 k = 0.0047-0.0080-0.0153 ( 2621 PWs) bands (ev): -54.0676 -54.0676 -41.0292 -41.0292 -28.3876 -28.3876 -27.5791 -27.5791 -27.5267 -27.5267 -13.0806 -13.0806 -12.8972 -12.8972 -12.8299 -12.8299 -9.0871 -9.0871 -7.7127 -7.7127 3.8607 3.8607 5.5096 5.5096 5.5177 5.5177 7.4794 7.4794 7.8831 7.8831 7.9131 7.9131 11.0282 11.0282 11.0319 11.0319 11.8673 11.8673 13.6366 13.6366 13.9757 13.9757 k = 0.0095-0.0159-0.0306 ( 2625 PWs) bands (ev): -54.0676 -54.0676 -41.0292 -41.0292 -28.3879 -28.3879 -27.5795 -27.5795 -27.5267 -27.5267 -13.0806 -13.0806 -12.8974 -12.8974 -12.8303 -12.8303 -9.0849 -9.0849 -7.7132 -7.7132 3.8639 3.8639 5.5067 5.5067 5.5176 5.5176 7.4828 7.4828 7.8743 7.8743 7.9060 7.9060 11.0302 11.0302 11.0351 11.0351 11.8677 11.8677 13.6456 13.6456 13.9717 13.9717 k = 0.0142-0.0239-0.0459 ( 2625 PWs) bands (ev): -54.0675 -54.0675 -41.0291 -41.0291 -28.3882 -28.3882 -27.5801 -27.5801 -27.5267 -27.5267 -13.0805 -13.0805 -12.8977 -12.8977 -12.8308 -12.8308 -9.0812 -9.0812 -7.7141 -7.7141 3.8693 3.8693 5.5004 5.5004 5.5188 5.5188 7.4884 7.4884 7.8579 7.8579 7.8962 7.8962 11.0329 11.0329 11.0410 11.0410 11.8683 11.8683 13.6605 13.6605 13.9639 13.9639 k = 0.0190-0.0319-0.0611 ( 2627 PWs) bands (ev): -54.0673 -54.0673 -41.0290 -41.0290 -28.3887 -28.3887 -27.5810 -27.5810 -27.5268 -27.5268 -13.0804 -13.0804 -12.8982 -12.8982 -12.8317 -12.8317 -9.0761 -9.0761 -7.7153 -7.7153 3.8769 3.8769 5.4909 5.4909 5.5213 5.5213 7.4960 7.4960 7.8330 7.8330 7.8847 7.8847 11.0363 11.0363 11.0494 11.0494 11.8693 11.8693 13.6808 13.6808 13.9526 13.9526 k = 0.0237-0.0398-0.0764 ( 2629 PWs) bands (ev): -54.0671 -54.0671 -41.0289 -41.0289 -28.3894 -28.3894 -27.5822 -27.5822 -27.5268 -27.5268 -13.0803 -13.0803 -12.8988 -12.8988 -12.8327 -12.8327 -9.0695 -9.0695 -7.7169 -7.7169 3.8866 3.8866 5.4788 5.4788 5.5248 5.5248 7.5054 7.5054 7.7999 7.7999 7.8717 7.8717 11.0405 11.0405 11.0599 11.0599 11.8705 11.8705 13.7061 13.7061 13.9384 13.9384 k = 0.0285-0.0478-0.0917 ( 2629 PWs) bands (ev): -54.0668 -54.0668 -41.0287 -41.0287 -28.3902 -28.3902 -27.5836 -27.5836 -27.5268 -27.5268 -13.0802 -13.0802 -12.8995 -12.8995 -12.8339 -12.8339 -9.0615 -9.0615 -7.7188 -7.7188 3.8984 3.8984 5.4642 5.4642 5.5291 5.5291 7.5163 7.5163 7.7595 7.7595 7.8569 7.8569 11.0456 11.0456 11.0723 11.0723 11.8720 11.8720 13.7354 13.7354 13.9217 13.9217 k = 0.0332-0.0557-0.1070 ( 2631 PWs) bands (ev): -54.0665 -54.0665 -41.0285 -41.0285 -28.3911 -28.3911 -27.5852 -27.5852 -27.5269 -27.5269 -13.0800 -13.0800 -12.9003 -12.9003 -12.8353 -12.8353 -9.0521 -9.0521 -7.7210 -7.7210 3.9123 3.9123 5.4474 5.4474 5.5342 5.5342 7.5284 7.5284 7.7125 7.7125 7.8401 7.8401 11.0515 11.0515 11.0863 11.0863 11.8739 11.8739 13.7671 13.7671 13.9028 13.9028 k = 0.0380-0.0637-0.1223 ( 2629 PWs) bands (ev): -54.0662 -54.0662 -41.0283 -41.0283 -28.3921 -28.3921 -27.5871 -27.5871 -27.5269 -27.5269 -13.0798 -13.0798 -12.9012 -12.9012 -12.8368 -12.8368 -9.0413 -9.0413 -7.7236 -7.7236 3.9283 3.9283 5.4288 5.4288 5.5400 5.5400 7.5411 7.5411 7.6598 7.6598 7.8212 7.8212 11.0584 11.0584 11.1016 11.1016 11.8762 11.8762 13.7988 13.7988 13.8821 13.8821 k = 0.0427-0.0717-0.1376 ( 2625 PWs) bands (ev): -54.0658 -54.0658 -41.0280 -41.0280 -28.3933 -28.3933 -27.5892 -27.5892 -27.5268 -27.5268 -13.0797 -13.0797 -12.9023 -12.9023 -12.8385 -12.8385 -9.0291 -9.0291 -7.7264 -7.7264 3.9463 3.9463 5.4084 5.4084 5.5464 5.5464 7.5525 7.5525 7.6034 7.6034 7.8004 7.8004 11.0661 11.0661 11.1179 11.1179 11.8789 11.8789 13.8263 13.8263 13.8601 13.8601 k = 0.0475-0.0796-0.1529 ( 2625 PWs) bands (ev): -54.0654 -54.0654 -41.0277 -41.0277 -28.3946 -28.3946 -27.5916 -27.5916 -27.5268 -27.5268 -13.0795 -13.0795 -12.9035 -12.9035 -12.8404 -12.8404 -9.0156 -9.0156 -7.7296 -7.7296 3.9664 3.9664 5.3867 5.3867 5.5535 5.5535 7.5316 7.5316 7.5746 7.5746 7.7779 7.7779 11.0747 11.0747 11.1350 11.1350 11.8820 11.8820 13.8363 13.8363 13.8468 13.8468 k = 0.0522-0.0876-0.1681 ( 2627 PWs) bands (ev): -54.0649 -54.0649 -41.0274 -41.0274 -28.3961 -28.3961 -27.5942 -27.5942 -27.5268 -27.5268 -13.0794 -13.0794 -12.9048 -12.9048 -12.8424 -12.8424 -9.0009 -9.0009 -7.7331 -7.7331 3.9884 3.9884 5.3638 5.3638 5.5610 5.5610 7.4669 7.4669 7.5846 7.5846 7.7542 7.7542 11.0841 11.0841 11.1526 11.1526 11.8856 11.8856 13.8131 13.8131 13.8569 13.8569 k = 0.0570-0.0956-0.1834 ( 2621 PWs) bands (ev): -54.0644 -54.0644 -41.0270 -41.0270 -28.3976 -28.3976 -27.5970 -27.5970 -27.5267 -27.5267 -13.0793 -13.0793 -12.9063 -12.9063 -12.8444 -12.8444 -8.9848 -8.9848 -7.7368 -7.7368 4.0124 4.0124 5.3400 5.3400 5.5690 5.5690 7.3961 7.3961 7.5952 7.5952 7.7300 7.7300 11.0944 11.0944 11.1704 11.1704 11.8897 11.8897 13.7894 13.7894 13.8601 13.8601 k = 0.0617-0.1035-0.1987 ( 2621 PWs) bands (ev): -54.0639 -54.0639 -41.0266 -41.0266 -28.3994 -28.3994 -27.6000 -27.6000 -27.5266 -27.5266 -13.0793 -13.0793 -12.9078 -12.9078 -12.8466 -12.8466 -8.9675 -8.9675 -7.7409 -7.7409 4.0383 4.0383 5.3155 5.3155 5.5774 5.5774 7.3218 7.3218 7.6020 7.6020 7.7075 7.7075 11.1054 11.1054 11.1883 11.1883 11.8944 11.8944 13.7659 13.7659 13.8583 13.8583 k = 0.0665-0.1115-0.2140 ( 2625 PWs) bands (ev): -54.0633 -54.0633 -41.0262 -41.0262 -28.4012 -28.4012 -27.6033 -27.6033 -27.5265 -27.5265 -13.0793 -13.0793 -12.9096 -12.9096 -12.8488 -12.8488 -8.9491 -8.9491 -7.7452 -7.7452 4.0660 4.0660 5.2905 5.2905 5.5860 5.5860 7.2447 7.2447 7.6006 7.6006 7.6908 7.6908 11.1171 11.1171 11.2059 11.2059 11.8997 11.8997 13.7430 13.7430 13.8532 13.8532 k = 0.0712-0.1195-0.2293 ( 2621 PWs) bands (ev): -54.0627 -54.0627 -41.0258 -41.0258 -28.4032 -28.4032 -27.6067 -27.6067 -27.5264 -27.5264 -13.0794 -13.0794 -12.9114 -12.9114 -12.8510 -12.8510 -8.9295 -8.9295 -7.7497 -7.7497 4.0955 4.0955 5.2653 5.2653 5.5948 5.5948 7.1655 7.1655 7.5865 7.5865 7.6841 7.6841 11.1296 11.1296 11.2233 11.2233 11.9057 11.9057 13.7210 13.7210 13.8459 13.8459 k = 0.0760-0.1274-0.2446 ( 2617 PWs) bands (ev): -54.0620 -54.0620 -41.0253 -41.0253 -28.4053 -28.4053 -27.6103 -27.6103 -27.5262 -27.5262 -13.0796 -13.0796 -12.9132 -12.9132 -12.8532 -12.8532 -8.9088 -8.9088 -7.7545 -7.7545 4.1268 4.1268 5.2400 5.2400 5.6036 5.6036 7.0847 7.0847 7.5611 7.5611 7.6858 7.6858 11.1428 11.1428 11.2401 11.2401 11.9124 11.9124 13.7003 13.7003 13.8371 13.8371 k = 0.0807-0.1354-0.2599 ( 2619 PWs) bands (ev): -54.0613 -54.0613 -41.0249 -41.0249 -28.4075 -28.4075 -27.6141 -27.6141 -27.5261 -27.5261 -13.0799 -13.0799 -12.9152 -12.9152 -12.8555 -12.8555 -8.8871 -8.8871 -7.7595 -7.7595 4.1597 4.1597 5.2148 5.2148 5.6122 5.6122 7.0027 7.0027 7.5291 7.5291 7.6910 7.6910 11.1565 11.1565 11.2561 11.2561 11.9198 11.9198 13.6810 13.6810 13.8270 13.8270 k = 0.0855-0.1433-0.2752 ( 2613 PWs) bands (ev): -54.0606 -54.0606 -41.0244 -41.0244 -28.4098 -28.4098 -27.6181 -27.6181 -27.5258 -27.5258 -13.0803 -13.0803 -12.9172 -12.9172 -12.8577 -12.8577 -8.8644 -8.8644 -7.7646 -7.7646 4.1943 4.1943 5.1899 5.1899 5.6205 5.6205 6.9202 6.9202 7.4932 7.4932 7.6969 7.6969 11.1709 11.1709 11.2714 11.2714 11.9281 11.9281 13.6636 13.6636 13.8159 13.8159 k = 0.0902-0.1513-0.2904 ( 2613 PWs) bands (ev): -54.0599 -54.0599 -41.0238 -41.0238 -28.4122 -28.4122 -27.6222 -27.6222 -27.5256 -27.5256 -13.0808 -13.0808 -12.9193 -12.9193 -12.8600 -12.8600 -8.8408 -8.8408 -7.7700 -7.7700 4.2305 4.2305 5.1654 5.1654 5.6282 5.6282 6.8375 6.8375 7.4549 7.4549 7.7022 7.7022 11.1858 11.1858 11.2858 11.2858 11.9371 11.9371 13.6482 13.6482 13.8041 13.8041 k = 0.0950-0.1593-0.3057 ( 2615 PWs) bands (ev): -54.0591 -54.0591 -41.0233 -41.0233 -28.4148 -28.4148 -27.6264 -27.6264 -27.5254 -27.5254 -13.0816 -13.0816 -12.9215 -12.9215 -12.8622 -12.8622 -8.8163 -8.8163 -7.7756 -7.7756 4.2681 4.2681 5.1415 5.1415 5.6350 5.6350 6.7552 6.7552 7.4146 7.4146 7.7061 7.7061 11.2012 11.2012 11.2991 11.2991 11.9469 11.9469 13.6349 13.6349 13.7916 13.7916 k = 0.0997-0.1672-0.3210 ( 2611 PWs) bands (ev): -54.0583 -54.0583 -41.0228 -41.0228 -28.4174 -28.4174 -27.6308 -27.6308 -27.5251 -27.5251 -13.0825 -13.0825 -12.9236 -12.9236 -12.8643 -12.8643 -8.7910 -8.7910 -7.7812 -7.7812 4.3071 4.3071 5.1183 5.1183 5.6407 5.6407 6.6740 6.6740 7.3728 7.3728 7.7083 7.7083 11.2171 11.2171 11.3113 11.3113 11.9575 11.9575 13.6240 13.6240 13.7786 13.7786 k = 0.1045-0.1752-0.3363 ( 2605 PWs) bands (ev): -54.0575 -54.0575 -41.0222 -41.0222 -28.4201 -28.4201 -27.6352 -27.6352 -27.5248 -27.5248 -13.0835 -13.0835 -12.9256 -12.9256 -12.8664 -12.8664 -8.7649 -8.7649 -7.7871 -7.7871 4.3474 4.3474 5.0959 5.0959 5.6449 5.6449 6.5943 6.5943 7.3298 7.3298 7.7085 7.7085 11.2334 11.2334 11.3225 11.3225 11.9688 11.9688 13.6154 13.6154 13.7653 13.7653 k = 0.1092-0.1832-0.3516 ( 2607 PWs) bands (ev): -54.0567 -54.0567 -41.0216 -41.0216 -28.4230 -28.4230 -27.6398 -27.6398 -27.5245 -27.5245 -13.0848 -13.0848 -12.9277 -12.9277 -12.8684 -12.8684 -8.7381 -8.7381 -7.7930 -7.7930 4.3890 4.3890 5.0743 5.0743 5.6469 5.6469 6.5170 6.5170 7.2857 7.2857 7.7065 7.7065 11.2499 11.2499 11.3325 11.3325 11.9807 11.9807 13.6093 13.6093 13.7517 13.7517 k = 0.1140-0.1911-0.3669 ( 2611 PWs) bands (ev): -54.0558 -54.0558 -41.0210 -41.0210 -28.4259 -28.4259 -27.6444 -27.6444 -27.5242 -27.5242 -13.0863 -13.0863 -12.9298 -12.9298 -12.8704 -12.8704 -8.7107 -8.7107 -7.7990 -7.7990 4.4317 4.4317 5.0538 5.0538 5.6462 5.6462 6.4427 6.4427 7.2407 7.2407 7.7023 7.7023 11.2668 11.2668 11.3414 11.3414 11.9932 11.9932 13.6058 13.6058 13.7379 13.7379 k = 0.1187-0.1991-0.3822 ( 2607 PWs) bands (ev): -54.0550 -54.0550 -41.0204 -41.0204 -28.4289 -28.4289 -27.6491 -27.6491 -27.5239 -27.5239 -13.0880 -13.0880 -12.9317 -12.9317 -12.8723 -12.8723 -8.6828 -8.6828 -7.8051 -7.8051 4.4755 4.4755 5.0343 5.0343 5.6420 5.6420 6.3725 6.3725 7.1951 7.1951 7.6957 7.6957 11.2838 11.2838 11.3493 11.3493 12.0062 12.0062 13.6048 13.6048 13.7242 13.7242 k = 0.1235-0.2071-0.3974 ( 2609 PWs) bands (ev): -54.0541 -54.0541 -41.0198 -41.0198 -28.4319 -28.4319 -27.6538 -27.6538 -27.5236 -27.5236 -13.0899 -13.0899 -12.9336 -12.9336 -12.8742 -12.8742 -8.6544 -8.6544 -7.8112 -7.8112 4.5201 4.5201 5.0159 5.0159 5.6334 5.6334 6.3074 6.3074 7.1488 7.1488 7.6868 7.6868 11.3010 11.3010 11.3562 11.3562 12.0195 12.0195 13.6062 13.6062 13.7105 13.7105 k = 0.1282-0.2150-0.4127 ( 2605 PWs) bands (ev): -54.0532 -54.0532 -41.0192 -41.0192 -28.4350 -28.4350 -27.6586 -27.6586 -27.5232 -27.5232 -13.0920 -13.0920 -12.9353 -12.9353 -12.8760 -12.8760 -8.6255 -8.6255 -7.8174 -7.8174 4.5656 4.5656 4.9987 4.9987 5.6196 5.6196 6.2485 6.2485 7.1023 7.1023 7.6756 7.6756 11.3181 11.3181 11.3623 11.3623 12.0330 12.0330 13.6101 13.6101 13.6970 13.6970 k = 0.1330-0.2230-0.4280 ( 2605 PWs) bands (ev): -54.0523 -54.0523 -41.0185 -41.0185 -28.4382 -28.4382 -27.6634 -27.6634 -27.5229 -27.5229 -13.0943 -13.0943 -12.9370 -12.9370 -12.8777 -12.8777 -8.5963 -8.5963 -7.8236 -7.8236 4.6117 4.6117 4.9827 4.9827 5.5997 5.5997 6.1967 6.1967 7.0554 7.0554 7.6621 7.6621 11.3349 11.3349 11.3679 11.3679 12.0465 12.0465 13.6164 13.6164 13.6839 13.6839 k = 0.1377-0.2309-0.4433 ( 2607 PWs) bands (ev): -54.0514 -54.0514 -41.0179 -41.0179 -28.4414 -28.4414 -27.6682 -27.6682 -27.5226 -27.5226 -13.0968 -13.0968 -12.9386 -12.9386 -12.8794 -12.8794 -8.5668 -8.5668 -7.8297 -7.8297 4.6582 4.6582 4.9679 4.9679 5.5731 5.5731 6.1526 6.1526 7.0084 7.0084 7.6462 7.6462 11.3507 11.3507 11.3738 11.3738 12.0597 12.0597 13.6248 13.6248 13.6712 13.6712 k = 0.1425-0.2389-0.4586 ( 2611 PWs) bands (ev): -54.0505 -54.0505 -41.0173 -41.0173 -28.4447 -28.4447 -27.6731 -27.6731 -27.5222 -27.5222 -13.0995 -13.0995 -12.9401 -12.9401 -12.8809 -12.8809 -8.5372 -8.5372 -7.8359 -7.8359 4.7050 4.7050 4.9544 4.9544 5.5401 5.5401 6.1164 6.1164 6.9614 6.9614 7.6281 7.6281 11.3630 11.3630 11.3824 11.3824 12.0727 12.0727 13.6352 13.6352 13.6591 13.6591 k = 0.1472-0.2469-0.4739 ( 2605 PWs) bands (ev): -54.0495 -54.0495 -41.0166 -41.0166 -28.4479 -28.4479 -27.6778 -27.6778 -27.5219 -27.5219 -13.1023 -13.1023 -12.9415 -12.9415 -12.8824 -12.8824 -8.5074 -8.5074 -7.8419 -7.8419 4.7517 4.7517 4.9422 4.9422 5.5016 5.5016 6.0876 6.0876 6.9146 6.9146 7.6079 7.6079 11.3697 11.3697 11.3959 11.3959 12.0852 12.0852 13.6448 13.6448 13.6506 13.6506 k = 0.1520-0.2548-0.4892 ( 2605 PWs) bands (ev): -54.0486 -54.0486 -41.0160 -41.0160 -28.4512 -28.4512 -27.6826 -27.6826 -27.5215 -27.5215 -13.1052 -13.1052 -12.9429 -12.9429 -12.8838 -12.8838 -8.4775 -8.4775 -7.8479 -7.8479 4.7978 4.7978 4.9313 4.9313 5.4587 5.4587 6.0651 6.0651 6.8681 6.8681 7.5856 7.5856 11.3732 11.3732 11.4121 11.4121 12.0970 12.0970 13.6363 13.6363 13.6627 13.6627 k = 0.1567-0.2628-0.5044 ( 2607 PWs) bands (ev): -54.0477 -54.0477 -41.0154 -41.0154 -28.4545 -28.4545 -27.6874 -27.6874 -27.5212 -27.5212 -13.1083 -13.1083 -12.9442 -12.9442 -12.8851 -12.8851 -8.4477 -8.4477 -7.8538 -7.8538 4.8428 4.8428 4.9216 4.9216 5.4135 5.4135 6.0476 6.0476 6.8220 6.8220 7.5613 7.5613 11.3752 11.3752 11.4292 11.4292 12.1078 12.1078 13.6266 13.6266 13.6784 13.6784 k = 0.1615-0.2708-0.5197 ( 2607 PWs) bands (ev): -54.0468 -54.0468 -41.0147 -41.0147 -28.4578 -28.4578 -27.6921 -27.6921 -27.5209 -27.5209 -13.1115 -13.1115 -12.9455 -12.9455 -12.8862 -12.8862 -8.4179 -8.4179 -7.8596 -7.8596 4.8853 4.8853 4.9133 4.9133 5.3683 5.3683 6.0339 6.0339 6.7765 6.7765 7.5352 7.5352 11.3766 11.3766 11.4466 11.4466 12.1177 12.1177 13.6179 13.6179 13.6955 13.6955 k = 0.1662-0.2787-0.5350 ( 2609 PWs) bands (ev): -54.0459 -54.0459 -41.0141 -41.0141 -28.4611 -28.4611 -27.6968 -27.6968 -27.5206 -27.5206 -13.1147 -13.1147 -12.9469 -12.9469 -12.8873 -12.8873 -8.3884 -8.3884 -7.8653 -7.8653 4.9055 4.9055 4.9244 4.9244 5.3260 5.3260 6.0228 6.0228 6.7317 6.7317 7.5074 7.5074 11.3774 11.3774 11.4640 11.4640 12.1264 12.1264 13.6103 13.6103 13.7138 13.7138 k = 0.1710-0.2867-0.5503 ( 2607 PWs) bands (ev): -54.0450 -54.0450 -41.0135 -41.0135 -28.4644 -28.4644 -27.7014 -27.7014 -27.5203 -27.5203 -13.1179 -13.1179 -12.9482 -12.9482 -12.8882 -12.8882 -8.3591 -8.3591 -7.8708 -7.8708 4.8997 4.8997 4.9551 4.9551 5.2908 5.2908 6.0133 6.0133 6.6878 6.6878 7.4779 7.4779 11.3780 11.3780 11.4815 11.4815 12.1337 12.1337 13.6039 13.6039 13.7331 13.7331 k = 0.1757-0.2947-0.5656 ( 2605 PWs) bands (ev): -54.0441 -54.0441 -41.0128 -41.0128 -28.4676 -28.4676 -27.7060 -27.7060 -27.5200 -27.5200 -13.1211 -13.1211 -12.9495 -12.9495 -12.8890 -12.8890 -8.3300 -8.3300 -7.8761 -7.8761 4.8948 4.8948 4.9734 4.9734 5.2688 5.2688 6.0047 6.0047 6.6449 6.6449 7.4470 7.4470 11.3784 11.3784 11.4988 11.4988 12.1398 12.1398 13.5988 13.5988 13.7531 13.7531 k = 0.1805-0.3026-0.5809 ( 2605 PWs) bands (ev): -54.0432 -54.0432 -41.0122 -41.0122 -28.4708 -28.4708 -27.7105 -27.7105 -27.5197 -27.5197 -13.1244 -13.1244 -12.9509 -12.9509 -12.8896 -12.8896 -8.3014 -8.3014 -7.8812 -7.8812 4.8910 4.8910 4.9738 4.9738 5.2653 5.2653 5.9963 5.9963 6.6031 6.6031 7.4146 7.4146 11.3787 11.3787 11.5160 11.5160 12.1443 12.1443 13.5949 13.5949 13.7736 13.7736 k = 0.1852-0.3106-0.5962 ( 2605 PWs) bands (ev): -54.0423 -54.0423 -41.0116 -41.0116 -28.4739 -28.4739 -27.7149 -27.7149 -27.5194 -27.5194 -13.1276 -13.1276 -12.9524 -12.9524 -12.8902 -12.8902 -8.2733 -8.2733 -7.8861 -7.8861 4.8881 4.8881 4.9567 4.9567 5.2808 5.2808 5.9877 5.9877 6.5626 6.5626 7.3811 7.3811 11.3789 11.3789 11.5331 11.5331 12.1473 12.1473 13.5924 13.5924 13.7943 13.7943 k = 0.1900-0.3185-0.6115 ( 2605 PWs) bands (ev): -54.0415 -54.0415 -41.0110 -41.0110 -28.4770 -28.4770 -27.7192 -27.7192 -27.5191 -27.5191 -13.1307 -13.1307 -12.9540 -12.9540 -12.8905 -12.8905 -8.2457 -8.2457 -7.8908 -7.8908 4.8862 4.8862 4.9274 4.9274 5.3100 5.3100 5.9785 5.9785 6.5235 6.5235 7.3464 7.3464 11.3793 11.3793 11.5501 11.5501 12.1488 12.1488 13.5913 13.5913 13.8151 13.8151 k = 0.1947-0.3265-0.6267 ( 2605 PWs) bands (ev): -54.0406 -54.0406 -41.0105 -41.0105 -28.4800 -28.4800 -27.7234 -27.7234 -27.5189 -27.5189 -13.1338 -13.1338 -12.9557 -12.9557 -12.8908 -12.8908 -8.2187 -8.2187 -7.8953 -7.8953 4.8844 4.8844 4.8926 4.8926 5.3472 5.3472 5.9684 5.9684 6.4861 6.4861 7.3107 7.3107 11.3796 11.3796 11.5668 11.5668 12.1487 12.1487 13.5914 13.5914 13.8357 13.8357 k = 0.1995-0.3345-0.6420 ( 2613 PWs) bands (ev): -54.0398 -54.0398 -41.0099 -41.0099 -28.4829 -28.4829 -27.7276 -27.7276 -27.5187 -27.5187 -13.1368 -13.1368 -12.9575 -12.9575 -12.8910 -12.8910 -8.1923 -8.1923 -7.8995 -7.8995 4.8534 4.8534 4.8852 4.8852 5.3888 5.3888 5.9572 5.9572 6.4503 6.4503 7.2742 7.2742 11.3801 11.3801 11.5832 11.5832 12.1472 12.1472 13.5929 13.5929 13.8559 13.8559 k = 0.2042-0.3424-0.6573 ( 2611 PWs) bands (ev): -54.0390 -54.0390 -41.0093 -41.0093 -28.4858 -28.4858 -27.7316 -27.7316 -27.5185 -27.5185 -13.1396 -13.1396 -12.9594 -12.9594 -12.8910 -12.8910 -8.1667 -8.1667 -7.9034 -7.9034 4.8153 4.8153 4.8855 4.8855 5.4326 5.4326 5.9446 5.9446 6.4164 6.4164 7.2369 7.2369 11.3808 11.3808 11.5995 11.5995 12.1442 12.1442 13.5956 13.5956 13.8757 13.8757 k = 0.2090-0.3504-0.6726 ( 2607 PWs) bands (ev): -54.0382 -54.0382 -41.0088 -41.0088 -28.4885 -28.4885 -27.7355 -27.7355 -27.5183 -27.5183 -13.1422 -13.1422 -12.9613 -12.9613 -12.8909 -12.8909 -8.1419 -8.1419 -7.9070 -7.9070 4.7781 4.7781 4.8864 4.8864 5.4776 5.4776 5.9305 5.9305 6.3846 6.3846 7.1990 7.1990 11.3818 11.3818 11.6155 11.6155 12.1401 12.1401 13.5994 13.5994 13.8946 13.8946 k = 0.2137-0.3584-0.6879 ( 2609 PWs) bands (ev): -54.0375 -54.0375 -41.0083 -41.0083 -28.4911 -28.4911 -27.7393 -27.7393 -27.5181 -27.5181 -13.1447 -13.1447 -12.9634 -12.9634 -12.8908 -12.8908 -8.1179 -8.1179 -7.9103 -7.9103 4.7426 4.7426 4.8878 4.8878 5.5229 5.5229 5.9148 5.9148 6.3549 6.3549 7.1606 7.1606 11.3829 11.3829 11.6313 11.6313 12.1346 12.1346 13.6043 13.6043 13.9127 13.9127 k = 0.2185-0.3663-0.7032 ( 2607 PWs) bands (ev): -54.0367 -54.0367 -41.0078 -41.0078 -28.4937 -28.4937 -27.7430 -27.7430 -27.5179 -27.5179 -13.1471 -13.1471 -12.9655 -12.9655 -12.8905 -12.8905 -8.0949 -8.0949 -7.9133 -7.9133 4.7094 4.7094 4.8895 4.8895 5.5682 5.5682 5.8974 5.8974 6.3275 6.3275 7.1218 7.1218 11.3842 11.3842 11.6467 11.6467 12.1280 12.1280 13.6102 13.6102 13.9297 13.9297 k = 0.2232-0.3743-0.7185 ( 2609 PWs) bands (ev): -54.0360 -54.0360 -41.0073 -41.0073 -28.4961 -28.4961 -27.7465 -27.7465 -27.5178 -27.5178 -13.1493 -13.1493 -12.9678 -12.9678 -12.8902 -12.8902 -8.0728 -8.0728 -7.9160 -7.9160 4.6789 4.6789 4.8913 4.8913 5.6129 5.6129 5.8783 5.8783 6.3026 6.3026 7.0827 7.0827 11.3857 11.3857 11.6618 11.6618 12.1205 12.1205 13.6170 13.6170 13.9455 13.9455 k = 0.2280-0.3823-0.7337 ( 2613 PWs) bands (ev): -54.0354 -54.0354 -41.0068 -41.0068 -28.4984 -28.4984 -27.7500 -27.7500 -27.5177 -27.5177 -13.1513 -13.1513 -12.9701 -12.9701 -12.8899 -12.8899 -8.0517 -8.0517 -7.9184 -7.9184 4.6511 4.6511 4.8933 4.8933 5.6569 5.6569 5.8574 5.8574 6.2803 6.2803 7.0434 7.0434 11.3875 11.3875 11.6766 11.6766 12.1121 12.1121 13.6245 13.6245 13.9600 13.9600 k = 0.2327-0.3902-0.7490 ( 2613 PWs) bands (ev): -54.0347 -54.0347 -41.0064 -41.0064 -28.5006 -28.5006 -27.7533 -27.7533 -27.5176 -27.5176 -13.1530 -13.1530 -12.9725 -12.9725 -12.8895 -12.8895 -8.0317 -8.0317 -7.9204 -7.9204 4.6264 4.6264 4.8952 4.8952 5.6996 5.6996 5.8351 5.8351 6.2606 6.2606 7.0040 7.0040 11.3895 11.3895 11.6910 11.6910 12.1030 12.1030 13.6328 13.6328 13.9731 13.9731 k = 0.2375-0.3982-0.7643 ( 2605 PWs) bands (ev): -54.0341 -54.0341 -41.0059 -41.0059 -28.5027 -28.5027 -27.7564 -27.7564 -27.5175 -27.5175 -13.1546 -13.1546 -12.9749 -12.9749 -12.8890 -12.8890 -8.0128 -8.0128 -7.9220 -7.9220 4.6049 4.6049 4.8970 4.8970 5.7398 5.7398 5.8125 5.8125 6.2438 6.2438 6.9646 6.9646 11.3918 11.3918 11.7050 11.7050 12.0933 12.0933 13.6417 13.6417 13.9848 13.9848 k = 0.2422-0.4061-0.7796 ( 2601 PWs) bands (ev): -54.0335 -54.0335 -41.0055 -41.0055 -28.5046 -28.5046 -27.7594 -27.7594 -27.5174 -27.5174 -13.1560 -13.1560 -12.9773 -12.9773 -12.8885 -12.8885 -7.9951 -7.9951 -7.9233 -7.9233 4.5867 4.5867 4.8985 4.8985 5.7654 5.7654 5.8013 5.8013 6.2298 6.2298 6.9253 6.9253 11.3942 11.3942 11.7187 11.7187 12.0831 12.0831 13.6511 13.6511 13.9949 13.9949 k = 0.2470-0.4141-0.7949 ( 2597 PWs) bands (ev): -54.0329 -54.0329 -41.0051 -41.0051 -28.5064 -28.5064 -27.7623 -27.7623 -27.5174 -27.5174 -13.1571 -13.1571 -12.9798 -12.9798 -12.8880 -12.8880 -7.9785 -7.9785 -7.9242 -7.9242 4.5717 4.5717 4.8997 4.8997 5.7482 5.7482 5.8299 5.8299 6.2188 6.2188 6.8863 6.8863 11.3968 11.3968 11.7320 11.7320 12.0725 12.0725 13.6608 13.6608 14.0034 14.0034 k = 0.2517-0.4221-0.8102 ( 2597 PWs) bands (ev): -54.0324 -54.0324 -41.0048 -41.0048 -28.5081 -28.5081 -27.7650 -27.7650 -27.5174 -27.5174 -13.1581 -13.1581 -12.9823 -12.9823 -12.8876 -12.8876 -7.9632 -7.9632 -7.9247 -7.9247 4.5602 4.5602 4.9005 4.9005 5.7196 5.7196 5.8666 5.8666 6.2107 6.2107 6.8474 6.8474 11.3996 11.3996 11.7448 11.7448 12.0617 12.0617 13.6710 13.6710 14.0103 14.0103 k = 0.2565-0.4300-0.8255 ( 2597 PWs) bands (ev): -54.0319 -54.0319 -41.0044 -41.0044 -28.5096 -28.5096 -27.7676 -27.7676 -27.5174 -27.5174 -13.1589 -13.1589 -12.9849 -12.9849 -12.8871 -12.8871 -7.9492 -7.9492 -7.9248 -7.9248 4.5520 4.5520 4.9008 4.9008 5.6881 5.6881 5.9030 5.9030 6.2055 6.2055 6.8090 6.8090 11.4025 11.4025 11.7571 11.7571 12.0506 12.0506 13.6814 13.6814 14.0155 14.0155 k = 0.2612-0.4380-0.8407 ( 2595 PWs) bands (ev): -54.0314 -54.0314 -41.0041 -41.0041 -28.5110 -28.5110 -27.7700 -27.7700 -27.5174 -27.5174 -13.1595 -13.1595 -12.9874 -12.9874 -12.8866 -12.8866 -7.9369 -7.9369 -7.9240 -7.9240 4.5472 4.5472 4.9007 4.9007 5.6546 5.6546 5.9382 5.9382 6.2033 6.2033 6.7710 6.7710 11.4056 11.4056 11.7690 11.7690 12.0394 12.0394 13.6922 13.6922 14.0191 14.0191 k = 0.2660-0.4460-0.8560 ( 2593 PWs) bands (ev): -54.0310 -54.0310 -41.0038 -41.0038 -28.5123 -28.5123 -27.7723 -27.7723 -27.5174 -27.5174 -13.1599 -13.1599 -12.9899 -12.9899 -12.8862 -12.8862 -7.9284 -7.9284 -7.9203 -7.9203 4.5458 4.5458 4.9001 4.9001 5.6194 5.6194 5.9719 5.9719 6.2039 6.2039 6.7335 6.7335 11.4088 11.4088 11.7804 11.7804 12.0281 12.0281 13.7031 13.7031 14.0212 14.0212 k = 0.2707-0.4539-0.8713 ( 2591 PWs) bands (ev): -54.0306 -54.0306 -41.0035 -41.0035 -28.5135 -28.5135 -27.7744 -27.7744 -27.5174 -27.5174 -13.1601 -13.1601 -12.9923 -12.9923 -12.8857 -12.8857 -7.9255 -7.9255 -7.9120 -7.9120 4.5477 4.5477 4.8990 4.8990 5.5828 5.5828 6.0039 6.0039 6.2073 6.2073 6.6968 6.6968 11.4120 11.4120 11.7913 11.7913 12.0167 12.0167 13.7142 13.7142 14.0218 14.0218 k = 0.2755-0.4619-0.8866 ( 2593 PWs) bands (ev): -54.0302 -54.0302 -41.0032 -41.0032 -28.5146 -28.5146 -27.7764 -27.7764 -27.5175 -27.5175 -13.1602 -13.1602 -12.9947 -12.9947 -12.8853 -12.8853 -7.9238 -7.9238 -7.9032 -7.9032 4.5528 4.5528 4.8975 4.8975 5.5448 5.5448 6.0342 6.0342 6.2131 6.2131 6.6608 6.6608 11.4153 11.4153 11.8016 11.8016 12.0053 12.0053 13.7255 13.7255 14.0208 14.0208 k = 0.2802-0.4699-0.9019 ( 2601 PWs) bands (ev): -54.0299 -54.0299 -41.0030 -41.0030 -28.5156 -28.5156 -27.7782 -27.7782 -27.5176 -27.5176 -13.1603 -13.1603 -12.9971 -12.9971 -12.8850 -12.8850 -7.9222 -7.9222 -7.8954 -7.8954 4.5610 4.5610 4.8955 4.8955 5.5057 5.5057 6.0626 6.0626 6.2213 6.2213 6.6258 6.6258 11.4186 11.4186 11.8113 11.8113 11.9940 11.9940 13.7370 13.7370 14.0184 14.0184 k = 0.2850-0.4778-0.9172 ( 2599 PWs) bands (ev): -54.0296 -54.0296 -41.0028 -41.0028 -28.5164 -28.5164 -27.7799 -27.7799 -27.5176 -27.5176 -13.1601 -13.1601 -12.9993 -12.9993 -12.8847 -12.8847 -7.9203 -7.9203 -7.8888 -7.8888 4.5723 4.5723 4.8933 4.8933 5.4658 5.4658 6.0893 6.0893 6.2314 6.2314 6.5921 6.5921 11.4219 11.4219 11.8205 11.8205 11.9827 11.9827 13.7485 13.7485 14.0148 14.0148 k = 0.2897-0.4858-0.9325 ( 2593 PWs) bands (ev): -54.0293 -54.0293 -41.0026 -41.0026 -28.5171 -28.5171 -27.7814 -27.7814 -27.5176 -27.5176 -13.1598 -13.1598 -13.0014 -13.0014 -12.8843 -12.8843 -7.9181 -7.9181 -7.8833 -7.8833 4.5863 4.5863 4.8909 4.8909 5.4252 5.4252 6.1141 6.1141 6.2431 6.2431 6.5598 6.5598 11.4252 11.4252 11.8292 11.8292 11.9717 11.9717 13.7602 13.7602 14.0101 14.0101 k = 0.2945-0.4937-0.9478 ( 2591 PWs) bands (ev): -54.0291 -54.0291 -41.0024 -41.0024 -28.5177 -28.5177 -27.7827 -27.7827 -27.5177 -27.5177 -13.1594 -13.1594 -13.0034 -13.0034 -12.8840 -12.8840 -7.9157 -7.9157 -7.8789 -7.8789 4.6028 4.6028 4.8883 4.8883 5.3845 5.3845 6.1369 6.1369 6.2555 6.2555 6.5297 6.5297 11.4282 11.4282 11.8372 11.8372 11.9608 11.9608 13.7720 13.7720 14.0043 14.0043 k = 0.2992-0.5017-0.9630 ( 2589 PWs) bands (ev): -54.0289 -54.0289 -41.0023 -41.0023 -28.5182 -28.5182 -27.7838 -27.7838 -27.5178 -27.5178 -13.1590 -13.1590 -13.0052 -13.0052 -12.8838 -12.8838 -7.9129 -7.9129 -7.8758 -7.8758 4.6213 4.6213 4.8857 4.8857 5.3440 5.3440 6.1579 6.1579 6.2678 6.2678 6.5025 6.5025 11.4309 11.4309 11.8446 11.8446 11.9502 11.9502 13.7840 13.7840 13.9975 13.9975 k = 0.3040-0.5097-0.9783 ( 2591 PWs) bands (ev): -54.0287 -54.0287 -41.0022 -41.0022 -28.5187 -28.5187 -27.7849 -27.7849 -27.5179 -27.5179 -13.1585 -13.1585 -13.0069 -13.0069 -12.8836 -12.8836 -7.9099 -7.9099 -7.8737 -7.8737 4.6414 4.6414 4.8831 4.8831 5.3043 5.3043 6.1770 6.1770 6.2783 6.2783 6.4796 6.4796 11.4331 11.4331 11.8512 11.8512 11.9400 11.9400 13.7960 13.7960 13.9900 13.9900 k = 0.3087-0.5176-0.9936 ( 2585 PWs) bands (ev): -54.0285 -54.0285 -41.0021 -41.0021 -28.5190 -28.5190 -27.7857 -27.7857 -27.5179 -27.5179 -13.1581 -13.1581 -13.0083 -13.0083 -12.8834 -12.8834 -7.9067 -7.9067 -7.8728 -7.8728 4.6622 4.6622 4.8807 4.8807 5.2662 5.2662 6.1942 6.1942 6.2846 6.2846 6.4634 6.4634 11.4348 11.4348 11.8571 11.8571 11.9306 11.9306 13.8081 13.8081 13.9820 13.9820 k = 0.3135-0.5256-1.0089 ( 2590 PWs) bands (ev): -54.0284 -54.0284 -41.0020 -41.0020 -28.5193 -28.5193 -27.7864 -27.7864 -27.5180 -27.5180 -13.1577 -13.1577 -13.0096 -13.0096 -12.8833 -12.8833 -7.9032 -7.9032 -7.8729 -7.8729 4.6825 4.6825 4.8785 4.8785 5.2311 5.2311 6.2096 6.2096 6.2840 6.2840 6.4563 6.4563 11.4356 11.4356 11.8619 11.8619 11.9222 11.9222 13.8202 13.8202 13.9734 13.9734 k = 0.3182-0.5336-1.0242 ( 2588 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5195 -28.5195 -27.7869 -27.7869 -27.5180 -27.5180 -13.1572 -13.1572 -13.0105 -13.0105 -12.8832 -12.8832 -7.8995 -7.8995 -7.8740 -7.8740 4.7008 4.7008 4.8766 4.8766 5.2005 5.2005 6.2232 6.2232 6.2753 6.2753 6.4594 6.4594 11.4354 11.4354 11.8656 11.8656 11.9151 11.9151 13.8323 13.8323 13.9646 13.9646 k = 0.3230-0.5415-1.0395 ( 2590 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5197 -28.5197 -27.7873 -27.7873 -27.5181 -27.5181 -13.1569 -13.1569 -13.0113 -13.0113 -12.8831 -12.8831 -7.8956 -7.8956 -7.8760 -7.8760 4.7148 4.7148 4.8752 4.8752 5.1766 5.1766 6.2350 6.2350 6.2599 6.2599 6.4710 6.4710 11.4338 11.4338 11.8679 11.8679 11.9099 11.9099 13.8445 13.8445 13.9557 13.9557 k = 0.3277-0.5495-1.0548 ( 2594 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5198 -28.5198 -27.7876 -27.7876 -27.5181 -27.5181 -13.1567 -13.1567 -13.0118 -13.0118 -12.8831 -12.8831 -7.8920 -7.8920 -7.8785 -7.8785 4.7219 4.7219 4.8742 4.8742 5.1621 5.1621 6.2392 6.2392 6.2461 6.2461 6.4886 6.4886 11.4306 11.4306 11.8687 11.8687 11.9070 11.9070 13.8566 13.8566 13.9469 13.9469 k = 0.3325-0.5575-1.0700 ( 2602 PWs) bands (ev): -54.0282 -54.0282 -41.0018 -41.0018 -28.5198 -28.5198 -27.7877 -27.7877 -27.5182 -27.5182 -13.1567 -13.1567 -13.0120 -13.0120 -12.8831 -12.8831 -7.8895 -7.8895 -7.8806 -7.8806 4.7199 4.7199 4.8738 4.8738 5.1593 5.1593 6.2176 6.2176 6.2540 6.2540 6.5100 6.5100 11.4254 11.4254 11.8683 11.8683 11.9061 11.9061 13.8687 13.8687 13.9383 13.9383 k = 0.3372-0.5654-1.0853 ( 2602 PWs) bands (ev): -54.0282 -54.0282 -41.0019 -41.0019 -28.5198 -28.5198 -27.7877 -27.7877 -27.5182 -27.5182 -13.1567 -13.1567 -13.0119 -13.0119 -12.8831 -12.8831 -7.8911 -7.8911 -7.8792 -7.8792 4.7076 4.7076 4.8740 4.8740 5.1692 5.1692 6.1945 6.1945 6.2611 6.2611 6.5338 6.5338 11.4181 11.4181 11.8677 11.8677 11.9067 11.9067 13.8806 13.8806 13.9301 13.9301 k = 0.3420-0.5734-1.1006 ( 2596 PWs) bands (ev): -54.0282 -54.0282 -41.0019 -41.0019 -28.5197 -28.5197 -27.7875 -27.7875 -27.5181 -27.5181 -13.1568 -13.1568 -13.0114 -13.0114 -12.8831 -12.8831 -7.8958 -7.8958 -7.8754 -7.8754 4.6860 4.6860 4.8748 4.8748 5.1910 5.1910 6.1710 6.1710 6.2667 6.2667 6.5591 6.5591 11.4083 11.4083 11.8677 11.8677 11.9084 11.9084 13.8923 13.8923 13.9226 13.9226 k = 0.6580-0.4356-1.0170 ( 2596 PWs) bands (ev): -54.0282 -54.0282 -41.0019 -41.0019 -28.5197 -28.5197 -27.7875 -27.7875 -27.5181 -27.5181 -13.1568 -13.1568 -13.0114 -13.0114 -12.8831 -12.8831 -7.8958 -7.8958 -7.8754 -7.8754 4.6860 4.6860 4.8748 4.8748 5.1910 5.1910 6.1710 6.1710 6.2667 6.2667 6.5591 6.5591 11.4083 11.4083 11.8677 11.8677 11.9084 11.9084 13.8923 13.8923 13.9226 13.9226 k = 0.6534-0.4187-1.0170 ( 2598 PWs) bands (ev): -54.0283 -54.0283 -41.0019 -41.0019 -28.5197 -28.5197 -27.7872 -27.7872 -27.5181 -27.5181 -13.1571 -13.1571 -13.0108 -13.0108 -12.8832 -12.8832 -7.9017 -7.9017 -7.8708 -7.8708 4.6573 4.6573 4.8762 4.8762 5.2222 5.2222 6.1481 6.1481 6.2710 6.2710 6.5845 6.5845 11.3962 11.3962 11.8686 11.8686 11.9105 11.9105 13.9031 13.9031 13.9164 13.9164 k = 0.6487-0.4019-1.0170 ( 2590 PWs) bands (ev): -54.0284 -54.0284 -41.0019 -41.0019 -28.5195 -28.5195 -27.7867 -27.7867 -27.5180 -27.5180 -13.1575 -13.1575 -13.0098 -13.0098 -12.8831 -12.8831 -7.9085 -7.9085 -7.8660 -7.8660 4.6232 4.6232 4.8784 4.8784 5.2611 5.2611 6.1257 6.1257 6.2741 6.2741 6.6104 6.6104 11.3816 11.3816 11.8708 11.8708 11.9130 11.9130 13.9078 13.9078 13.9169 13.9169 k = 0.6441-0.3850-1.0170 ( 2592 PWs) bands (ev): -54.0284 -54.0284 -41.0020 -41.0020 -28.5194 -28.5194 -27.7862 -27.7862 -27.5179 -27.5179 -13.1581 -13.1581 -13.0086 -13.0086 -12.8831 -12.8831 -7.9159 -7.9159 -7.8610 -7.8610 4.5853 4.5853 4.8811 4.8811 5.3059 5.3059 6.1038 6.1038 6.2761 6.2761 6.6362 6.6362 11.3643 11.3643 11.8744 11.8744 11.9158 11.9158 13.9038 13.9038 13.9267 13.9267 k = 0.6394-0.3681-1.0170 ( 2598 PWs) bands (ev): -54.0286 -54.0286 -41.0021 -41.0021 -28.5193 -28.5193 -27.7856 -27.7856 -27.5178 -27.5178 -13.1589 -13.1589 -13.0071 -13.0071 -12.8832 -12.8832 -7.9238 -7.9238 -7.8559 -7.8559 4.5449 4.5449 4.8846 4.8846 5.3554 5.3554 6.0825 6.0825 6.2772 6.2772 6.6617 6.6617 11.3445 11.3445 11.8791 11.8791 11.9189 11.9189 13.9000 13.9000 13.9371 13.9371 k = 0.6348-0.3513-1.0170 ( 2600 PWs) bands (ev): -54.0287 -54.0287 -41.0022 -41.0022 -28.5192 -28.5192 -27.7849 -27.7849 -27.5177 -27.5177 -13.1598 -13.1598 -13.0055 -13.0055 -12.8832 -12.8832 -7.9323 -7.9323 -7.8507 -7.8507 4.5029 4.5029 4.8888 4.8888 5.4085 5.4085 6.0620 6.0620 6.2776 6.2776 6.6868 6.6868 11.3223 11.3223 11.8848 11.8848 11.9228 11.9228 13.8972 13.8972 13.9472 13.9472 k = 0.6301-0.3344-1.0170 ( 2598 PWs) bands (ev): -54.0288 -54.0288 -41.0023 -41.0023 -28.5190 -28.5190 -27.7841 -27.7841 -27.5175 -27.5175 -13.1608 -13.1608 -13.0036 -13.0036 -12.8832 -12.8832 -7.9411 -7.9411 -7.8455 -7.8455 4.4600 4.4600 4.8936 4.8936 5.4645 5.4645 6.0423 6.0423 6.2773 6.2773 6.7113 6.7113 11.2979 11.2979 11.8909 11.8909 11.9276 11.9276 13.8956 13.8956 13.9569 13.9569 k = 0.6255-0.3176-1.0170 ( 2594 PWs) bands (ev): -54.0289 -54.0289 -41.0023 -41.0023 -28.5188 -28.5188 -27.7832 -27.7832 -27.5173 -27.5173 -13.1620 -13.1620 -13.0015 -13.0015 -12.8831 -12.8831 -7.9503 -7.9503 -7.8402 -7.8402 4.4167 4.4167 4.8990 4.8990 5.5227 5.5227 6.0236 6.0236 6.2767 6.2767 6.7349 6.7349 11.2714 11.2714 11.8970 11.8970 11.9338 11.9338 13.8953 13.8954 13.9662 13.9662 k = 0.6208-0.3007-1.0170 ( 2594 PWs) bands (ev): -54.0291 -54.0291 -41.0025 -41.0025 -28.5187 -28.5187 -27.7823 -27.7823 -27.5170 -27.5170 -13.1633 -13.1633 -12.9993 -12.9993 -12.8831 -12.8831 -7.9598 -7.9598 -7.8348 -7.8348 4.3733 4.3733 4.9051 4.9051 5.5824 5.5824 6.0058 6.0058 6.2758 6.2758 6.7576 6.7576 11.2430 11.2430 11.9024 11.9024 11.9417 11.9417 13.8964 13.8964 13.9750 13.9750 k = 0.6162-0.2838-1.0170 ( 2596 PWs) bands (ev): -54.0293 -54.0293 -41.0026 -41.0026 -28.5186 -28.5186 -27.7813 -27.7813 -27.5168 -27.5168 -13.1646 -13.1646 -12.9970 -12.9970 -12.8830 -12.8830 -7.9695 -7.9695 -7.8295 -7.8295 4.3302 4.3302 4.9117 4.9117 5.6431 5.6431 5.9889 5.9889 6.2750 6.2750 6.7791 6.7791 11.2128 11.2128 11.9070 11.9070 11.9514 11.9514 13.8989 13.8989 13.9833 13.9833 k = 0.6115-0.2670-1.0170 ( 2598 PWs) bands (ev): -54.0294 -54.0294 -41.0027 -41.0027 -28.5184 -28.5184 -27.7803 -27.7803 -27.5165 -27.5165 -13.1661 -13.1661 -12.9946 -12.9946 -12.8829 -12.8829 -7.9794 -7.9794 -7.8243 -7.8243 4.2875 4.2875 4.9189 4.9189 5.7042 5.7042 5.9730 5.9730 6.2747 6.2747 6.7993 6.7993 11.1811 11.1811 11.9110 11.9110 11.9626 11.9626 13.9028 13.9028 13.9910 13.9910 k = 0.6069-0.2501-1.0170 ( 2600 PWs) bands (ev): -54.0296 -54.0296 -41.0028 -41.0028 -28.5183 -28.5183 -27.7792 -27.7792 -27.5161 -27.5161 -13.1676 -13.1676 -12.9921 -12.9921 -12.8827 -12.8827 -7.9894 -7.9894 -7.8190 -7.8190 4.2455 4.2455 4.9265 4.9265 5.7648 5.7648 5.9581 5.9581 6.2754 6.2754 6.8183 6.8183 11.1481 11.1481 11.9145 11.9145 11.9749 11.9749 13.9081 13.9081 13.9981 13.9981 k = 0.6022-0.2332-1.0170 ( 2602 PWs) bands (ev): -54.0298 -54.0298 -41.0029 -41.0029 -28.5182 -28.5182 -27.7781 -27.7781 -27.5158 -27.5158 -13.1692 -13.1692 -12.9896 -12.9896 -12.8825 -12.8825 -7.9995 -7.9995 -7.8139 -7.8139 4.2044 4.2044 4.9345 4.9345 5.8242 5.8242 5.9442 5.9442 6.2777 6.2777 6.8359 6.8359 11.1140 11.1140 11.9179 11.9179 11.9881 11.9881 13.9149 13.9149 14.0047 14.0047 k = 0.5976-0.2164-1.0170 ( 2598 PWs) bands (ev): -54.0300 -54.0300 -41.0031 -41.0031 -28.5181 -28.5181 -27.7770 -27.7770 -27.5154 -27.5154 -13.1708 -13.1708 -12.9870 -12.9870 -12.8822 -12.8822 -8.0096 -8.0096 -7.8088 -7.8088 4.1643 4.1643 4.9429 4.9429 5.8811 5.8811 5.9314 5.9314 6.2826 6.2826 6.8520 6.8520 11.0790 11.0790 11.9211 11.9211 12.0018 12.0018 13.9231 13.9231 14.0107 14.0107 k = 0.5929-0.1995-1.0170 ( 2604 PWs) bands (ev): -54.0302 -54.0302 -41.0032 -41.0032 -28.5180 -28.5180 -27.7759 -27.7759 -27.5150 -27.5150 -13.1724 -13.1724 -12.9845 -12.9845 -12.8819 -12.8819 -8.0195 -8.0195 -7.8038 -7.8038 4.1253 4.1253 4.9515 4.9515 5.9190 5.9190 5.9345 5.9345 6.2915 6.2915 6.8667 6.8667 11.0431 11.0431 11.9244 11.9244 12.0158 12.0158 13.9326 13.9326 14.0161 14.0161 k = 0.5883-0.1826-1.0170 ( 2602 PWs) bands (ev): -54.0304 -54.0304 -41.0033 -41.0033 -28.5179 -28.5179 -27.7747 -27.7747 -27.5146 -27.5146 -13.1740 -13.1740 -12.9821 -12.9821 -12.8815 -12.8815 -8.0294 -8.0294 -7.7990 -7.7990 4.0876 4.0876 4.9604 4.9604 5.9086 5.9086 5.9810 5.9810 6.3062 6.3062 6.8798 6.8798 11.0067 11.0067 11.9278 11.9278 12.0300 12.0300 13.9435 13.9435 14.0208 14.0208 k = 0.5837-0.1658-1.0170 ( 2598 PWs) bands (ev): -54.0305 -54.0305 -41.0035 -41.0035 -28.5178 -28.5178 -27.7735 -27.7735 -27.5141 -27.5141 -13.1756 -13.1756 -12.9796 -12.9796 -12.8810 -12.8810 -8.0391 -8.0391 -7.7943 -7.7943 4.0513 4.0513 4.9694 4.9694 5.8988 5.8988 6.0197 6.0197 6.3285 6.3285 6.8915 6.8915 10.9700 10.9700 11.9313 11.9313 12.0442 12.0442 13.9556 13.9556 14.0251 14.0251 k = 0.5790-0.1489-1.0170 ( 2604 PWs) bands (ev): -54.0307 -54.0307 -41.0036 -41.0036 -28.5178 -28.5178 -27.7725 -27.7725 -27.5137 -27.5137 -13.1773 -13.1773 -12.9774 -12.9774 -12.8805 -12.8805 -8.0486 -8.0486 -7.7897 -7.7897 4.0164 4.0164 4.9784 4.9784 5.8901 5.8901 6.0491 6.0491 6.3592 6.3592 6.9017 6.9017 10.9330 10.9330 11.9349 11.9349 12.0582 12.0582 13.9687 13.9687 14.0288 14.0288 k = 0.5744-0.1320-1.0170 ( 2602 PWs) bands (ev): -54.0309 -54.0309 -41.0037 -41.0037 -28.5177 -28.5177 -27.7714 -27.7714 -27.5132 -27.5132 -13.1788 -13.1788 -12.9752 -12.9752 -12.8800 -12.8800 -8.0578 -8.0578 -7.7853 -7.7853 3.9831 3.9831 4.9874 4.9874 5.8823 5.8823 6.0696 6.0696 6.3979 6.3979 6.9104 6.9104 10.8962 10.8962 11.9387 11.9387 12.0719 12.0719 13.9829 13.9829 14.0319 14.0319 k = 0.5697-0.1152-1.0170 ( 2602 PWs) bands (ev): -54.0311 -54.0311 -41.0038 -41.0038 -28.5177 -28.5177 -27.7703 -27.7703 -27.5128 -27.5128 -13.1803 -13.1803 -12.9731 -12.9731 -12.8794 -12.8794 -8.0667 -8.0667 -7.7811 -7.7811 3.9514 3.9514 4.9962 4.9962 5.8755 5.8755 6.0827 6.0827 6.4428 6.4428 6.9178 6.9178 10.8596 10.8596 11.9427 11.9427 12.0852 12.0852 13.9979 13.9979 14.0346 14.0346 k = 0.5651-0.0983-1.0170 ( 2604 PWs) bands (ev): -54.0313 -54.0313 -41.0040 -41.0040 -28.5177 -28.5177 -27.7693 -27.7693 -27.5123 -27.5123 -13.1818 -13.1818 -12.9711 -12.9711 -12.8788 -12.8788 -8.0753 -8.0753 -7.7771 -7.7771 3.9215 3.9215 5.0049 5.0049 5.8697 5.8697 6.0903 6.0903 6.4915 6.4915 6.9239 6.9239 10.8235 10.8235 11.9467 11.9467 12.0981 12.0981 14.0133 14.0133 14.0371 14.0371 k = 0.5604-0.0814-1.0170 ( 2606 PWs) bands (ev): -54.0314 -54.0314 -41.0041 -41.0041 -28.5177 -28.5177 -27.7683 -27.7683 -27.5119 -27.5119 -13.1832 -13.1832 -12.9693 -12.9693 -12.8781 -12.8781 -8.0834 -8.0834 -7.7734 -7.7734 3.8933 3.8933 5.0133 5.0133 5.8647 5.8647 6.0942 6.0942 6.5421 6.5421 6.9288 6.9288 10.7881 10.7881 11.9508 11.9508 12.1104 12.1104 14.0284 14.0284 14.0399 14.0399 k = 0.5558-0.0646-1.0170 ( 2604 PWs) bands (ev): -54.0316 -54.0316 -41.0042 -41.0042 -28.5177 -28.5177 -27.7673 -27.7673 -27.5114 -27.5114 -13.1845 -13.1845 -12.9676 -12.9676 -12.8774 -12.8774 -8.0911 -8.0911 -7.7698 -7.7698 3.8670 3.8670 5.0213 5.0213 5.8606 5.8606 6.0957 6.0957 6.5930 6.5930 6.9326 6.9326 10.7538 10.7538 11.9550 11.9550 12.1221 12.1221 14.0373 14.0373 14.0489 14.0489 k = 0.5511-0.0477-1.0170 ( 2606 PWs) bands (ev): -54.0317 -54.0317 -41.0043 -41.0043 -28.5177 -28.5177 -27.7665 -27.7665 -27.5110 -27.5110 -13.1858 -13.1858 -12.9661 -12.9661 -12.8767 -12.8767 -8.0983 -8.0983 -7.7665 -7.7665 3.8425 3.8425 5.0289 5.0289 5.8572 5.8572 6.0956 6.0956 6.6429 6.6429 6.9355 6.9355 10.7207 10.7207 11.9592 11.9592 12.1330 12.1330 14.0394 14.0394 14.0644 14.0644 k = 0.5465-0.0309-1.0170 ( 2610 PWs) bands (ev): -54.0319 -54.0319 -41.0044 -41.0044 -28.5177 -28.5177 -27.7657 -27.7657 -27.5106 -27.5106 -13.1869 -13.1869 -12.9647 -12.9647 -12.8761 -12.8761 -8.1051 -8.1051 -7.7634 -7.7634 3.8200 3.8200 5.0361 5.0361 5.8546 5.8546 6.0945 6.0945 6.6910 6.6910 6.9375 6.9375 10.6891 10.6891 11.9631 11.9631 12.1432 12.1432 14.0403 14.0403 14.0806 14.0806 k = 0.5418-0.0140-1.0170 ( 2612 PWs) bands (ev): -54.0320 -54.0320 -41.0045 -41.0045 -28.5177 -28.5177 -27.7649 -27.7649 -27.5102 -27.5102 -13.1880 -13.1880 -12.9635 -12.9635 -12.8754 -12.8754 -8.1112 -8.1112 -7.7606 -7.7606 3.7995 3.7995 5.0426 5.0426 5.8526 5.8526 6.0928 6.0928 6.7365 6.7365 6.9389 6.9389 10.6594 10.6594 11.9670 11.9670 12.1526 12.1526 14.0409 14.0409 14.0965 14.0965 k = 0.5372 0.0029-1.0170 ( 2610 PWs) bands (ev): -54.0321 -54.0321 -41.0046 -41.0046 -28.5177 -28.5177 -27.7642 -27.7642 -27.5098 -27.5098 -13.1890 -13.1890 -12.9624 -12.9624 -12.8747 -12.8747 -8.1168 -8.1168 -7.7580 -7.7580 3.7811 3.7811 5.0487 5.0487 5.8511 5.8511 6.0908 6.0908 6.7786 6.7786 6.9398 6.9398 10.6318 10.6318 11.9708 11.9708 12.1612 12.1612 14.0412 14.0412 14.1118 14.1118 k = 0.5325 0.0197-1.0170 ( 2608 PWs) bands (ev): -54.0322 -54.0322 -41.0046 -41.0046 -28.5177 -28.5177 -27.7636 -27.7636 -27.5095 -27.5095 -13.1898 -13.1898 -12.9614 -12.9614 -12.8741 -12.8741 -8.1218 -8.1218 -7.7558 -7.7558 3.7647 3.7647 5.0541 5.0541 5.8501 5.8501 6.0887 6.0887 6.8169 6.8169 6.9405 6.9405 10.6067 10.6067 11.9742 11.9742 12.1688 12.1688 14.0413 14.0413 14.1261 14.1261 k = 0.5279 0.0366-1.0170 ( 2608 PWs) bands (ev): -54.0323 -54.0323 -41.0047 -41.0047 -28.5177 -28.5177 -27.7631 -27.7631 -27.5092 -27.5092 -13.1906 -13.1906 -12.9606 -12.9606 -12.8736 -12.8736 -8.1262 -8.1262 -7.7538 -7.7538 3.7505 3.7505 5.0588 5.0588 5.8494 5.8494 6.0867 6.0867 6.8506 6.8506 6.9413 6.9413 10.5842 10.5842 11.9773 11.9773 12.1755 12.1755 14.0413 14.0413 14.1393 14.1393 k = 0.5232 0.0535-1.0170 ( 2610 PWs) bands (ev): -54.0324 -54.0324 -41.0048 -41.0048 -28.5177 -28.5177 -27.7626 -27.7626 -27.5089 -27.5089 -13.1912 -13.1912 -12.9600 -12.9600 -12.8731 -12.8731 -8.1300 -8.1300 -7.7521 -7.7521 3.7384 3.7384 5.0628 5.0628 5.8490 5.8490 6.0848 6.0848 6.8789 6.8789 6.9426 6.9426 10.5646 10.5646 11.9800 11.9800 12.1812 12.1812 14.0412 14.0412 14.1509 14.1509 k = 0.5186 0.0703-1.0170 ( 2612 PWs) bands (ev): -54.0325 -54.0325 -41.0048 -41.0048 -28.5178 -28.5178 -27.7623 -27.7623 -27.5087 -27.5087 -13.1918 -13.1918 -12.9594 -12.9594 -12.8727 -12.8727 -8.1331 -8.1331 -7.7507 -7.7507 3.7285 3.7285 5.0662 5.0662 5.8488 5.8488 6.0832 6.0832 6.9006 6.9006 6.9454 6.9454 10.5482 10.5482 11.9823 11.9823 12.1859 12.1859 14.0411 14.0411 14.1608 14.1608 k = 0.5139 0.0872-1.0170 ( 2614 PWs) bands (ev): -54.0325 -54.0325 -41.0049 -41.0049 -28.5178 -28.5178 -27.7620 -27.7620 -27.5085 -27.5085 -13.1922 -13.1922 -12.9590 -12.9590 -12.8724 -12.8724 -8.1355 -8.1355 -7.7497 -7.7497 3.7207 3.7207 5.0688 5.0688 5.8487 5.8487 6.0819 6.0819 6.9146 6.9146 6.9508 6.9508 10.5352 10.5352 11.9841 11.9841 12.1895 12.1895 14.0409 14.0409 14.1688 14.1688 k = 0.5093 0.1041-1.0170 ( 2616 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7618 -27.7618 -27.5084 -27.5084 -13.1925 -13.1925 -12.9587 -12.9587 -12.8721 -12.8721 -8.1372 -8.1372 -7.7489 -7.7489 3.7151 3.7151 5.0707 5.0707 5.8486 5.8486 6.0809 6.0809 6.9215 6.9215 6.9579 6.9579 10.5258 10.5258 11.9854 11.9854 12.1922 12.1922 14.0408 14.0408 14.1746 14.1746 k = 0.5046 0.1209-1.0170 ( 2622 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7617 -27.7617 -27.5084 -27.5084 -13.1927 -13.1927 -12.9586 -12.9586 -12.8720 -12.8720 -8.1383 -8.1383 -7.7484 -7.7484 3.7118 3.7118 5.0718 5.0718 5.8486 5.8486 6.0802 6.0802 6.9241 6.9241 6.9635 6.9635 10.5201 10.5201 11.9862 11.9862 12.1937 12.1937 14.0407 14.0407 14.1781 14.1781 k = 0.5000 0.1378-1.0170 ( 2624 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7616 -27.7616 -27.5084 -27.5084 -13.1928 -13.1928 -12.9585 -12.9585 -12.8720 -12.8720 -8.1386 -8.1386 -7.7483 -7.7483 3.7107 3.7107 5.0722 5.0722 5.8486 5.8486 6.0800 6.0800 6.9248 6.9248 6.9657 6.9657 10.5182 10.5182 11.9865 11.9865 12.1942 12.1942 14.0407 14.0407 14.1793 14.1793 k = 0.5000 0.1378-1.0170 ( 2624 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7616 -27.7616 -27.5084 -27.5084 -13.1928 -13.1928 -12.9585 -12.9585 -12.8720 -12.8720 -8.1386 -8.1386 -7.7483 -7.7483 3.7107 3.7107 5.0722 5.0722 5.8486 5.8486 6.0800 6.0800 6.9248 6.9248 6.9657 6.9657 10.5182 10.5182 11.9865 11.9865 12.1942 12.1942 14.0407 14.0407 14.1793 14.1793 k = 0.5144 0.1417-1.0094 ( 2620 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7616 -27.7616 -27.5083 -27.5083 -13.1928 -13.1928 -12.9585 -12.9585 -12.8719 -12.8719 -8.1385 -8.1385 -7.7484 -7.7484 3.7113 3.7113 5.0720 5.0720 5.8486 5.8486 6.0797 6.0797 6.9246 6.9246 6.9656 6.9656 10.5186 10.5186 11.9865 11.9865 12.1941 12.1941 14.0399 14.0399 14.1792 14.1792 k = 0.5287 0.1457-1.0018 ( 2616 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5178 -28.5178 -27.7616 -27.7616 -27.5083 -27.5083 -13.1927 -13.1927 -12.9585 -12.9585 -12.8719 -12.8719 -8.1384 -8.1384 -7.7487 -7.7487 3.7129 3.7129 5.0716 5.0716 5.8486 5.8486 6.0787 6.0787 6.9239 6.9239 6.9654 6.9654 10.5199 10.5199 11.9865 11.9865 12.1938 12.1938 14.0374 14.0374 14.1791 14.1791 k = 0.5431 0.1497-0.9942 ( 2608 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5177 -28.5177 -27.7615 -27.7615 -27.5083 -27.5083 -13.1927 -13.1927 -12.9584 -12.9584 -12.8719 -12.8719 -8.1380 -8.1380 -7.7493 -7.7493 3.7157 3.7157 5.0710 5.0710 5.8487 5.8487 6.0770 6.0770 6.9226 6.9226 6.9651 6.9651 10.5221 10.5221 11.9864 11.9864 12.1933 12.1933 14.0334 14.0334 14.1787 14.1787 k = 0.5575 0.1536-0.9866 ( 2614 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5177 -28.5177 -27.7614 -27.7614 -27.5083 -27.5083 -13.1926 -13.1926 -12.9585 -12.9585 -12.8720 -12.8720 -8.1376 -8.1376 -7.7501 -7.7501 3.7195 3.7195 5.0701 5.0701 5.8487 5.8487 6.0746 6.0746 6.9209 6.9209 6.9647 6.9647 10.5250 10.5250 11.9862 11.9862 12.1925 12.1925 14.0277 14.0277 14.1782 14.1782 k = 0.5718 0.1576-0.9790 ( 2616 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5083 -27.5083 -13.1926 -13.1926 -12.9585 -12.9585 -12.8720 -12.8720 -8.1371 -8.1371 -7.7511 -7.7511 3.7245 3.7245 5.0690 5.0690 5.8487 5.8487 6.0715 6.0715 6.9185 6.9185 6.9642 6.9642 10.5288 10.5288 11.9860 11.9860 12.1916 12.1916 14.0206 14.0206 14.1776 14.1776 k = 0.5862 0.1615-0.9714 ( 2612 PWs) bands (ev): -54.0327 -54.0327 -41.0049 -41.0049 -28.5175 -28.5175 -27.7613 -27.7613 -27.5083 -27.5083 -13.1925 -13.1925 -12.9585 -12.9585 -12.8721 -12.8721 -8.1364 -8.1364 -7.7523 -7.7523 3.7305 3.7305 5.0677 5.0677 5.8488 5.8488 6.0678 6.0678 6.9157 6.9157 6.9638 6.9638 10.5333 10.5333 11.9858 11.9858 12.1905 12.1905 14.0123 14.0123 14.1769 14.1769 k = 0.6006 0.1655-0.9638 ( 2606 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5173 -28.5173 -27.7611 -27.7611 -27.5083 -27.5083 -13.1924 -13.1924 -12.9585 -12.9585 -12.8721 -12.8721 -8.1356 -8.1356 -7.7537 -7.7537 3.7375 3.7375 5.0661 5.0661 5.8489 5.8489 6.0634 6.0634 6.9122 6.9122 6.9634 6.9634 10.5387 10.5387 11.9856 11.9856 12.1893 12.1893 14.0027 14.0027 14.1760 14.1760 k = 0.6149 0.1695-0.9562 ( 2603 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5172 -28.5172 -27.7610 -27.7610 -27.5083 -27.5083 -13.1923 -13.1923 -12.9584 -12.9584 -12.8721 -12.8721 -8.1347 -8.1347 -7.7554 -7.7554 3.7455 3.7455 5.0643 5.0643 5.8489 5.8489 6.0583 6.0583 6.9083 6.9083 6.9630 6.9630 10.5448 10.5448 11.9853 11.9853 12.1879 12.1879 13.9920 13.9920 14.1750 14.1750 k = 0.6293 0.1734-0.9486 ( 2603 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5170 -28.5170 -27.7608 -27.7608 -27.5083 -27.5083 -13.1922 -13.1922 -12.9585 -12.9585 -12.8722 -12.8722 -8.1338 -8.1338 -7.7572 -7.7572 3.7545 3.7545 5.0624 5.0624 5.8490 5.8490 6.0526 6.0526 6.9038 6.9038 6.9627 6.9627 10.5515 10.5515 11.9850 11.9850 12.1864 12.1864 13.9804 13.9804 14.1740 14.1740 k = 0.6436 0.1774-0.9411 ( 2604 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5169 -28.5169 -27.7607 -27.7607 -27.5084 -27.5084 -13.1920 -13.1920 -12.9585 -12.9585 -12.8723 -12.8723 -8.1327 -8.1327 -7.7593 -7.7593 3.7644 3.7644 5.0603 5.0603 5.8491 5.8491 6.0461 6.0461 6.8988 6.8988 6.9625 6.9625 10.5588 10.5588 11.9846 11.9846 12.1848 12.1848 13.9681 13.9681 14.1728 14.1728 k = 0.6580 0.1813-0.9335 ( 2603 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5167 -28.5167 -27.7605 -27.7605 -27.5084 -27.5084 -13.1919 -13.1919 -12.9585 -12.9585 -12.8724 -12.8724 -8.1316 -8.1316 -7.7615 -7.7615 3.7752 3.7752 5.0581 5.0581 5.8491 5.8491 6.0391 6.0391 6.8935 6.8935 6.9624 6.9624 10.5667 10.5667 11.9841 11.9841 12.1832 12.1832 13.9551 13.9551 14.1715 14.1715 k = 0.6580 0.1813-0.9335 ( 2603 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5167 -28.5167 -27.7605 -27.7605 -27.5084 -27.5084 -13.1919 -13.1919 -12.9585 -12.9585 -12.8724 -12.8724 -8.1316 -8.1316 -7.7615 -7.7615 3.7752 3.7752 5.0581 5.0581 5.8491 5.8491 6.0391 6.0391 6.8935 6.8935 6.9624 6.9624 10.5667 10.5667 11.9841 11.9841 12.1832 12.1832 13.9551 13.9551 14.1715 14.1715 k = 0.6553 0.1806-0.9159 ( 2608 PWs) bands (ev): -54.0330 -54.0330 -41.0052 -41.0052 -28.5160 -28.5160 -27.7597 -27.7597 -27.5086 -27.5086 -13.1909 -13.1909 -12.9584 -12.9584 -12.8726 -12.8726 -8.1340 -8.1340 -7.7637 -7.7637 3.7851 3.7851 5.0457 5.0457 5.8499 5.8499 6.0441 6.0441 6.9056 6.9056 6.9638 6.9638 10.5669 10.5669 11.9823 11.9823 12.1793 12.1793 13.9365 13.9365 14.1689 14.1689 k = 0.6526 0.1798-0.8984 ( 2612 PWs) bands (ev): -54.0332 -54.0332 -41.0053 -41.0053 -28.5151 -28.5151 -27.7588 -27.7588 -27.5087 -27.5087 -13.1896 -13.1896 -12.9582 -12.9582 -12.8729 -12.8729 -8.1366 -8.1366 -7.7670 -7.7670 3.7981 3.7981 5.0324 5.0324 5.8509 5.8509 6.0483 6.0483 6.9183 6.9183 6.9659 6.9659 10.5682 10.5682 11.9800 11.9800 12.1749 12.1749 13.9154 13.9154 14.1657 14.1657 k = 0.6498 0.1791-0.8808 ( 2612 PWs) bands (ev): -54.0335 -54.0335 -41.0055 -41.0055 -28.5139 -28.5139 -27.7576 -27.7576 -27.5089 -27.5089 -13.1880 -13.1880 -12.9581 -12.9581 -12.8733 -12.8733 -8.1394 -8.1394 -7.7714 -7.7714 3.8142 3.8142 5.0185 5.0185 5.8521 5.8521 6.0514 6.0514 6.9310 6.9310 6.9696 6.9696 10.5707 10.5707 11.9771 11.9771 12.1701 12.1701 13.8917 13.8917 14.1618 14.1618 k = 0.6471 0.1783-0.8633 ( 2610 PWs) bands (ev): -54.0338 -54.0338 -41.0057 -41.0057 -28.5126 -28.5126 -27.7561 -27.7561 -27.5092 -27.5092 -13.1861 -13.1861 -12.9579 -12.9579 -12.8737 -12.8737 -8.1425 -8.1425 -7.7768 -7.7768 3.8332 3.8332 5.0043 5.0043 5.8536 5.8536 6.0531 6.0531 6.9421 6.9421 6.9765 6.9765 10.5744 10.5744 11.9737 11.9737 12.1649 12.1649 13.8658 13.8658 14.1574 14.1574 k = 0.6444 0.1776-0.8458 ( 2604 PWs) bands (ev): -54.0341 -54.0341 -41.0059 -41.0059 -28.5111 -28.5111 -27.7545 -27.7545 -27.5094 -27.5094 -13.1839 -13.1839 -12.9576 -12.9576 -12.8741 -12.8741 -8.1458 -8.1458 -7.7831 -7.7831 3.8550 3.8550 4.9903 4.9903 5.8552 5.8552 6.0532 6.0532 6.9500 6.9500 6.9882 6.9882 10.5793 10.5793 11.9698 11.9698 12.1593 12.1593 13.8376 13.8376 14.1524 14.1524 k = 0.6417 0.1768-0.8282 ( 2602 PWs) bands (ev): -54.0345 -54.0345 -41.0062 -41.0062 -28.5094 -28.5094 -27.7527 -27.7527 -27.5097 -27.5097 -13.1816 -13.1816 -12.9573 -12.9573 -12.8746 -12.8746 -8.1495 -8.1495 -7.7903 -7.7903 3.8793 3.8793 4.9766 4.9766 5.8568 5.8568 6.0517 6.0517 6.9549 6.9549 7.0044 7.0044 10.5852 10.5852 11.9653 11.9653 12.1534 12.1534 13.8074 13.8074 14.1469 14.1469 k = 0.6389 0.1761-0.8107 ( 2606 PWs) bands (ev): -54.0349 -54.0349 -41.0065 -41.0065 -28.5075 -28.5075 -27.7507 -27.7507 -27.5101 -27.5101 -13.1790 -13.1790 -12.9571 -12.9571 -12.8751 -12.8751 -8.1537 -8.1537 -7.7981 -7.7981 3.9060 3.9060 4.9636 4.9636 5.8584 5.8584 6.0482 6.0482 6.9583 6.9583 7.0236 7.0236 10.5921 10.5921 11.9603 11.9603 12.1473 12.1473 13.7753 13.7753 14.1409 14.1409 k = 0.6362 0.1753-0.7932 ( 2606 PWs) bands (ev): -54.0354 -54.0354 -41.0068 -41.0068 -28.5055 -28.5055 -27.7485 -27.7485 -27.5104 -27.5104 -13.1763 -13.1763 -12.9568 -12.9568 -12.8757 -12.8757 -8.1584 -8.1584 -7.8066 -7.8066 3.9348 3.9348 4.9518 4.9518 5.8601 5.8601 6.0429 6.0429 6.9613 6.9613 7.0449 7.0449 10.6001 10.6001 11.9546 11.9546 12.1409 12.1409 13.7415 13.7415 14.1344 14.1344 k = 0.6335 0.1746-0.7756 ( 2602 PWs) bands (ev): -54.0359 -54.0359 -41.0072 -41.0072 -28.5033 -28.5033 -27.7461 -27.7461 -27.5108 -27.5108 -13.1732 -13.1732 -12.9565 -12.9565 -12.8762 -12.8762 -8.1636 -8.1636 -7.8155 -7.8155 3.9656 3.9656 4.9414 4.9414 5.8616 5.8616 6.0356 6.0356 6.9643 6.9643 7.0676 7.0676 10.6089 10.6089 11.9484 11.9484 12.1345 12.1345 13.7063 13.7063 14.1276 14.1276 k = 0.6308 0.1738-0.7581 ( 2599 PWs) bands (ev): -54.0365 -54.0365 -41.0076 -41.0076 -28.5010 -28.5010 -27.7435 -27.7435 -27.5112 -27.5112 -13.1700 -13.1700 -12.9561 -12.9561 -12.8767 -12.8767 -8.1696 -8.1696 -7.8247 -7.8247 3.9978 3.9978 4.9327 4.9327 5.8630 5.8630 6.0265 6.0265 6.9677 6.9677 7.0915 7.0915 10.6187 10.6187 11.9415 11.9415 12.1280 12.1280 13.6699 13.6699 14.1204 14.1204 k = 0.6280 0.1731-0.7406 ( 2597 PWs) bands (ev): -54.0371 -54.0371 -41.0080 -41.0080 -28.4985 -28.4985 -27.7407 -27.7407 -27.5116 -27.5116 -13.1666 -13.1666 -12.9558 -12.9558 -12.8773 -12.8773 -8.1764 -8.1764 -7.8341 -7.8341 4.0313 4.0313 4.9261 4.9261 5.8640 5.8640 6.0157 6.0157 6.9715 6.9715 7.1162 7.1162 10.6292 10.6292 11.9339 11.9339 12.1215 12.1215 13.6325 13.6325 14.1130 14.1130 k = 0.6253 0.1723-0.7230 ( 2607 PWs) bands (ev): -54.0377 -54.0377 -41.0084 -41.0084 -28.4960 -28.4960 -27.7378 -27.7378 -27.5121 -27.5121 -13.1631 -13.1631 -12.9555 -12.9555 -12.8778 -12.8778 -8.1840 -8.1840 -7.8435 -7.8435 4.0656 4.0656 4.9217 4.9217 5.8648 5.8648 6.0035 6.0035 6.9759 6.9759 7.1414 7.1414 10.6405 10.6405 11.9256 11.9256 12.1150 12.1150 13.5944 13.5944 14.1052 14.1052 k = 0.6226 0.1716-0.7055 ( 2607 PWs) bands (ev): -54.0383 -54.0383 -41.0089 -41.0089 -28.4933 -28.4933 -27.7347 -27.7347 -27.5126 -27.5126 -13.1594 -13.1594 -12.9552 -12.9552 -12.8783 -12.8783 -8.1926 -8.1926 -7.8529 -7.8529 4.1004 4.1004 4.9200 4.9200 5.8652 5.8652 5.9901 5.9901 6.9811 6.9811 7.1668 7.1668 10.6525 10.6525 11.9166 11.9166 12.1087 12.1087 13.5558 13.5558 14.0973 14.0973 k = 0.6199 0.1708-0.6880 ( 2606 PWs) bands (ev): -54.0390 -54.0390 -41.0093 -41.0093 -28.4904 -28.4904 -27.7314 -27.7314 -27.5131 -27.5131 -13.1556 -13.1556 -12.9548 -12.9548 -12.8788 -12.8788 -8.2023 -8.2023 -7.8619 -7.8619 4.1352 4.1352 4.9214 4.9214 5.8651 5.8651 5.9758 5.9758 6.9871 6.9871 7.1922 7.1922 10.6652 10.6652 11.9068 11.9068 12.1025 12.1025 13.5172 13.5172 14.0893 14.0893 k = 0.6171 0.1701-0.6704 ( 2600 PWs) bands (ev): -54.0397 -54.0397 -41.0098 -41.0098 -28.4874 -28.4874 -27.7280 -27.7280 -27.5136 -27.5136 -13.1516 -13.1516 -12.9544 -12.9544 -12.8792 -12.8792 -8.2131 -8.2131 -7.8706 -7.8706 4.1695 4.1695 4.9258 4.9258 5.8645 5.8645 5.9612 5.9612 6.9941 6.9941 7.2172 7.2172 10.6785 10.6785 11.8963 11.8963 12.0965 12.0965 13.4787 13.4787 14.0812 14.0812 k = 0.6144 0.1693-0.6529 ( 2603 PWs) bands (ev): -54.0405 -54.0405 -41.0103 -41.0103 -28.4844 -28.4844 -27.7244 -27.7244 -27.5141 -27.5141 -13.1476 -13.1476 -12.9540 -12.9540 -12.8796 -12.8796 -8.2250 -8.2250 -7.8789 -7.8789 4.2031 4.2031 4.9333 4.9333 5.8633 5.8633 5.9466 5.9466 7.0021 7.0021 7.2414 7.2414 10.6922 10.6922 11.8849 11.8849 12.0907 12.0907 13.4407 13.4407 14.0731 14.0731 k = 0.6117 0.1686-0.6354 ( 2603 PWs) bands (ev): -54.0412 -54.0412 -41.0109 -41.0109 -28.4813 -28.4813 -27.7207 -27.7207 -27.5146 -27.5146 -13.1436 -13.1436 -12.9536 -12.9536 -12.8799 -12.8799 -8.2381 -8.2381 -7.8865 -7.8865 4.2354 4.2354 4.9439 4.9439 5.8615 5.8615 5.9327 5.9327 7.0111 7.0111 7.2646 7.2646 10.7065 10.7065 11.8727 11.8727 12.0852 12.0852 13.4034 13.4034 14.0650 14.0650 k = 0.6090 0.1678-0.6178 ( 2601 PWs) bands (ev): -54.0420 -54.0420 -41.0114 -41.0114 -28.4781 -28.4781 -27.7168 -27.7168 -27.5152 -27.5152 -13.1395 -13.1395 -12.9532 -12.9532 -12.8800 -12.8800 -8.2525 -8.2525 -7.8936 -7.8936 4.2663 4.2663 4.9573 4.9573 5.8590 5.8590 5.9202 5.9202 7.0214 7.0214 7.2865 7.2865 10.7212 10.7212 11.8596 11.8596 12.0800 12.0800 13.3672 13.3672 14.0571 14.0571 k = 0.6062 0.1671-0.6003 ( 2601 PWs) bands (ev): -54.0428 -54.0428 -41.0120 -41.0120 -28.4749 -28.4749 -27.7127 -27.7127 -27.5157 -27.5157 -13.1354 -13.1354 -12.9528 -12.9528 -12.8802 -12.8802 -8.2679 -8.2679 -7.9000 -7.9000 4.2956 4.2956 4.9731 4.9731 5.8558 5.8558 5.9099 5.9099 7.0329 7.0329 7.3068 7.3068 10.7363 10.7363 11.8456 11.8456 12.0752 12.0752 13.3324 13.3324 14.0493 14.0493 k = 0.6035 0.1663-0.5828 ( 2607 PWs) bands (ev): -54.0436 -54.0436 -41.0126 -41.0126 -28.4716 -28.4716 -27.7086 -27.7086 -27.5163 -27.5163 -13.1313 -13.1313 -12.9523 -12.9523 -12.8802 -12.8802 -8.2845 -8.2845 -7.9057 -7.9057 4.3232 4.3232 4.9905 4.9905 5.8519 5.8519 5.9026 5.9026 7.0456 7.0456 7.3252 7.3252 10.7516 10.7516 11.8307 11.8307 12.0706 12.0706 13.2992 13.2992 14.0418 14.0418 k = 0.6008 0.1656-0.5652 ( 2609 PWs) bands (ev): -54.0445 -54.0445 -41.0132 -41.0132 -28.4683 -28.4683 -27.7044 -27.7044 -27.5169 -27.5169 -13.1273 -13.1273 -12.9518 -12.9518 -12.8802 -12.8802 -8.3021 -8.3021 -7.9108 -7.9108 4.3492 4.3492 5.0085 5.0085 5.8472 5.8472 5.8993 5.8993 7.0596 7.0596 7.3413 7.3413 10.7672 10.7672 11.8148 11.8148 12.0664 12.0664 13.2681 13.2681 14.0346 14.0346 k = 0.5981 0.1648-0.5477 ( 2609 PWs) bands (ev): -54.0454 -54.0454 -41.0137 -41.0137 -28.4649 -28.4649 -27.7001 -27.7001 -27.5174 -27.5174 -13.1233 -13.1233 -12.9512 -12.9512 -12.8800 -12.8800 -8.3207 -8.3207 -7.9153 -7.9153 4.3739 4.3739 5.0259 5.0259 5.8418 5.8418 5.9010 5.9010 7.0749 7.0749 7.3551 7.3551 10.7831 10.7831 11.7980 11.7980 12.0624 12.0624 13.2393 13.2393 14.0276 14.0276 k = 0.5954 0.1641-0.5301 ( 2605 PWs) bands (ev): -54.0462 -54.0462 -41.0143 -41.0143 -28.4615 -28.4615 -27.6956 -27.6956 -27.5180 -27.5180 -13.1195 -13.1195 -12.9506 -12.9506 -12.8797 -12.8797 -8.3400 -8.3400 -7.9192 -7.9192 4.3974 4.3974 5.0416 5.0416 5.8357 5.8357 5.9090 5.9090 7.0915 7.0915 7.3662 7.3662 10.7991 10.7991 11.7802 11.7802 12.0588 12.0588 13.2131 13.2131 14.0211 14.0211 k = 0.5926 0.1633-0.5126 ( 2607 PWs) bands (ev): -54.0471 -54.0471 -41.0150 -41.0150 -28.4581 -28.4581 -27.6911 -27.6911 -27.5185 -27.5185 -13.1157 -13.1157 -12.9498 -12.9498 -12.8793 -12.8793 -8.3601 -8.3601 -7.9226 -7.9226 4.4201 4.4201 5.0542 5.0542 5.8289 5.8289 5.9241 5.9241 7.1094 7.1094 7.3743 7.3743 10.8152 10.8152 11.7614 11.7614 12.0554 12.0554 13.1897 13.1897 14.0150 14.0150 k = 0.5899 0.1626-0.4951 ( 2615 PWs) bands (ev): -54.0480 -54.0480 -41.0156 -41.0156 -28.4547 -28.4547 -27.6865 -27.6865 -27.5192 -27.5192 -13.1123 -13.1123 -12.9491 -12.9491 -12.8788 -12.8788 -8.3809 -8.3809 -7.9255 -7.9255 4.4424 4.4424 5.0629 5.0629 5.8214 5.8214 5.9469 5.9469 7.1285 7.1285 7.3794 7.3794 10.8314 10.8314 11.7417 11.7417 12.0521 12.0521 13.1695 13.1695 14.0093 14.0093 k = 0.5872 0.1618-0.4775 ( 2620 PWs) bands (ev): -54.0489 -54.0489 -41.0162 -41.0162 -28.4514 -28.4514 -27.6819 -27.6819 -27.5197 -27.5197 -13.1090 -13.1090 -12.9482 -12.9482 -12.8782 -12.8782 -8.4021 -8.4021 -7.9279 -7.9279 4.4644 4.4644 5.0671 5.0671 5.8131 5.8131 5.9778 5.9778 7.1488 7.1488 7.3813 7.3813 10.8475 10.8475 11.7209 11.7209 12.0489 12.0489 13.1527 13.1527 14.0041 14.0041 k = 0.5845 0.1611-0.4600 ( 2622 PWs) bands (ev): -54.0498 -54.0498 -41.0169 -41.0169 -28.4480 -28.4480 -27.6772 -27.6772 -27.5203 -27.5203 -13.1058 -13.1058 -12.9471 -12.9471 -12.8774 -12.8774 -8.4237 -8.4237 -7.9300 -7.9300 4.4866 4.4866 5.0666 5.0666 5.8042 5.8042 6.0167 6.0167 7.1704 7.1704 7.3799 7.3799 10.8635 10.8635 11.6993 11.6993 12.0458 12.0458 13.1395 13.1395 13.9995 13.9995 k = 0.5817 0.1603-0.4425 ( 2617 PWs) bands (ev): -54.0507 -54.0507 -41.0175 -41.0175 -28.4446 -28.4446 -27.6724 -27.6724 -27.5208 -27.5208 -13.1029 -13.1029 -12.9459 -12.9459 -12.8765 -12.8765 -8.4455 -8.4455 -7.9318 -7.9318 4.5093 4.5093 5.0615 5.0615 5.7948 5.7948 6.0632 6.0632 7.1930 7.1930 7.3750 7.3750 10.8794 10.8794 11.6768 11.6768 12.0428 12.0428 13.1301 13.1301 13.9954 13.9954 k = 0.5790 0.1596-0.4249 ( 2619 PWs) bands (ev): -54.0516 -54.0516 -41.0181 -41.0181 -28.4413 -28.4413 -27.6676 -27.6676 -27.5213 -27.5213 -13.1003 -13.1003 -12.9446 -12.9446 -12.8755 -12.8755 -8.4676 -8.4676 -7.9332 -7.9332 4.5326 4.5326 5.0521 5.0521 5.7848 5.7848 6.1164 6.1164 7.2166 7.2166 7.3667 7.3667 10.8949 10.8949 11.6534 11.6534 12.0396 12.0396 13.1248 13.1248 13.9918 13.9918 k = 0.5763 0.1588-0.4074 ( 2617 PWs) bands (ev): -54.0525 -54.0525 -41.0187 -41.0187 -28.4380 -28.4380 -27.6628 -27.6628 -27.5218 -27.5218 -13.0980 -13.0980 -12.9431 -12.9431 -12.8743 -12.8743 -8.4897 -8.4897 -7.9345 -7.9345 4.5567 4.5567 5.0392 5.0392 5.7743 5.7743 6.1758 6.1758 7.2410 7.2410 7.3549 7.3549 10.9102 10.9102 11.6291 11.6291 12.0363 12.0363 13.1235 13.1235 13.9889 13.9889 k = 0.5736 0.1581-0.3899 ( 2613 PWs) bands (ev): -54.0534 -54.0534 -41.0193 -41.0193 -28.4348 -28.4348 -27.6580 -27.6580 -27.5222 -27.5222 -13.0959 -13.0959 -12.9414 -12.9414 -12.8730 -12.8730 -8.5118 -8.5118 -7.9355 -7.9355 4.5818 4.5818 5.0233 5.0233 5.7635 5.7635 6.2402 6.2402 7.2660 7.2660 7.3400 7.3400 10.9250 10.9250 11.6041 11.6041 12.0328 12.0328 13.1265 13.1265 13.9865 13.9865 k = 0.5708 0.1573-0.3723 ( 2615 PWs) bands (ev): -54.0543 -54.0543 -41.0200 -41.0200 -28.4317 -28.4317 -27.6533 -27.6533 -27.5227 -27.5227 -13.0941 -13.0941 -12.9397 -12.9397 -12.8716 -12.8716 -8.5338 -8.5338 -7.9364 -7.9364 4.6079 4.6079 5.0051 5.0051 5.7524 5.7524 6.3089 6.3089 7.2897 7.2897 7.3236 7.3236 10.9394 10.9394 11.5783 11.5783 12.0290 12.0290 13.1337 13.1337 13.9846 13.9846 k = 0.5681 0.1566-0.3548 ( 2613 PWs) bands (ev): -54.0551 -54.0551 -41.0206 -41.0206 -28.4286 -28.4286 -27.6486 -27.6486 -27.5232 -27.5232 -13.0926 -13.0926 -12.9378 -12.9378 -12.8701 -12.8701 -8.5556 -8.5556 -7.9371 -7.9371 4.6353 4.6353 4.9851 4.9851 5.7409 5.7409 6.3811 6.3811 7.2920 7.2920 7.3259 7.3259 10.9531 10.9531 11.5519 11.5519 12.0250 12.0250 13.1452 13.1452 13.9833 13.9833 k = 0.5654 0.1558-0.3373 ( 2607 PWs) bands (ev): -54.0560 -54.0560 -41.0211 -41.0211 -28.4256 -28.4256 -27.6439 -27.6439 -27.5235 -27.5235 -13.0914 -13.0914 -12.9358 -12.9358 -12.8685 -12.8685 -8.5771 -8.5771 -7.9377 -7.9377 4.6639 4.6639 4.9639 4.9639 5.7293 5.7293 6.4561 6.4561 7.2691 7.2691 7.3507 7.3507 10.9662 10.9662 11.5249 11.5249 12.0206 12.0206 13.1609 13.1609 13.9825 13.9825 k = 0.5627 0.1551-0.3197 ( 2611 PWs) bands (ev): -54.0568 -54.0568 -41.0217 -41.0217 -28.4227 -28.4227 -27.6393 -27.6393 -27.5239 -27.5239 -13.0905 -13.0905 -12.9338 -12.9338 -12.8668 -12.8668 -8.5982 -8.5982 -7.9382 -7.9382 4.6936 4.6936 4.9419 4.9419 5.7176 5.7176 6.5331 6.5331 7.2408 7.2408 7.3782 7.3782 10.9786 10.9786 11.4974 11.4974 12.0159 12.0159 13.1808 13.1808 13.9822 13.9822 k = 0.5599 0.1543-0.3022 ( 2611 PWs) bands (ev): -54.0576 -54.0576 -41.0223 -41.0223 -28.4198 -28.4198 -27.6347 -27.6347 -27.5243 -27.5243 -13.0898 -13.0898 -12.9317 -12.9317 -12.8650 -12.8650 -8.6190 -8.6190 -7.9386 -7.9386 4.7244 4.7244 4.9198 4.9198 5.7058 5.7058 6.6114 6.6114 7.2092 7.2092 7.4064 7.4064 10.9901 10.9901 11.4695 11.4695 12.0109 12.0109 13.2047 13.2047 13.9824 13.9824 k = 0.5572 0.1536-0.2847 ( 2611 PWs) bands (ev): -54.0584 -54.0584 -41.0229 -41.0229 -28.4171 -28.4171 -27.6303 -27.6303 -27.5247 -27.5247 -13.0893 -13.0893 -12.9296 -12.9296 -12.8631 -12.8631 -8.6392 -8.6392 -7.9390 -7.9390 4.7556 4.7556 4.8984 4.8984 5.6940 5.6940 6.6904 6.6904 7.1748 7.1748 7.4350 7.4350 11.0007 11.0007 11.4414 11.4414 12.0056 12.0056 13.2324 13.2324 13.9830 13.9830 k = 0.5545 0.1528-0.2671 ( 2611 PWs) bands (ev): -54.0592 -54.0592 -41.0234 -41.0234 -28.4144 -28.4144 -27.6259 -27.6259 -27.5250 -27.5250 -13.0891 -13.0891 -12.9275 -12.9275 -12.8611 -12.8611 -8.6589 -8.6589 -7.9393 -7.9393 4.7857 4.7857 4.8796 4.8796 5.6824 5.6824 6.7693 6.7693 7.1383 7.1383 7.4638 7.4638 11.0105 11.0105 11.4131 11.4131 12.0000 12.0000 13.2638 13.2638 13.9841 13.9841 k = 0.5518 0.1521-0.2496 ( 2609 PWs) bands (ev): -54.0600 -54.0600 -41.0239 -41.0239 -28.4119 -28.4119 -27.6217 -27.6217 -27.5252 -27.5252 -13.0890 -13.0890 -12.9253 -12.9253 -12.8590 -12.8590 -8.6779 -8.6779 -7.9395 -7.9395 4.8074 4.8074 4.8710 4.8710 5.6709 5.6709 6.8465 6.8465 7.1008 7.1008 7.4926 7.4926 11.0192 11.0192 11.3847 11.3847 11.9941 11.9941 13.2985 13.2985 13.9855 13.9855 k = 0.5490 0.1513-0.2321 ( 2609 PWs) bands (ev): -54.0607 -54.0607 -41.0244 -41.0244 -28.4095 -28.4095 -27.6176 -27.6176 -27.5255 -27.5255 -13.0892 -13.0892 -12.9232 -12.9232 -12.8569 -12.8569 -8.6963 -8.6963 -7.9398 -7.9398 4.8063 4.8063 4.8868 4.8868 5.6595 5.6595 6.9172 6.9172 7.0670 7.0670 7.5212 7.5212 11.0269 11.0269 11.3565 11.3565 11.9881 11.9881 13.3363 13.3363 13.9872 13.9872 k = 0.5463 0.1505-0.2145 ( 2618 PWs) bands (ev): -54.0614 -54.0614 -41.0249 -41.0249 -28.4072 -28.4072 -27.6138 -27.6138 -27.5258 -27.5258 -13.0894 -13.0894 -12.9213 -12.9213 -12.8548 -12.8548 -8.7140 -8.7140 -7.9400 -7.9400 4.7908 4.7908 4.9191 4.9191 5.6484 5.6484 6.9569 6.9569 7.0611 7.0611 7.5495 7.5495 11.0336 11.0336 11.3285 11.3285 11.9819 11.9819 13.3769 13.3769 13.9892 13.9892 k = 0.5436 0.1498-0.1970 ( 2618 PWs) bands (ev): -54.0621 -54.0621 -41.0254 -41.0254 -28.4050 -28.4050 -27.6100 -27.6100 -27.5260 -27.5260 -13.0898 -13.0898 -12.9193 -12.9193 -12.8526 -12.8526 -8.7310 -8.7309 -7.9402 -7.9402 4.7719 4.7719 4.9568 4.9568 5.6377 5.6377 6.9366 6.9366 7.1120 7.1120 7.5774 7.5774 11.0391 11.0391 11.3009 11.3009 11.9758 11.9758 13.4199 13.4199 13.9914 13.9914 k = 0.5409 0.1490-0.1794 ( 2622 PWs) bands (ev): -54.0627 -54.0627 -41.0259 -41.0259 -28.4029 -28.4029 -27.6064 -27.6064 -27.5261 -27.5261 -13.0903 -13.0903 -12.9175 -12.9175 -12.8504 -12.8504 -8.7471 -8.7471 -7.9404 -7.9404 4.7525 4.7525 4.9971 4.9971 5.6274 5.6274 6.8944 6.8944 7.1814 7.1814 7.6047 7.6047 11.0436 11.0436 11.2738 11.2738 11.9696 11.9696 13.4651 13.4651 13.9938 13.9938 k = 0.5381 0.1483-0.1619 ( 2616 PWs) bands (ev): -54.0633 -54.0633 -41.0263 -41.0263 -28.4010 -28.4010 -27.6029 -27.6029 -27.5263 -27.5263 -13.0908 -13.0908 -12.9157 -12.9157 -12.8482 -12.8482 -8.7623 -8.7623 -7.9406 -7.9406 4.7335 4.7335 5.0390 5.0390 5.6175 5.6175 6.8467 6.8467 7.2529 7.2529 7.6313 7.6313 11.0471 11.0471 11.2475 11.2475 11.9635 11.9635 13.5120 13.5120 13.9964 13.9964 k = 0.5354 0.1475-0.1444 ( 2620 PWs) bands (ev): -54.0639 -54.0639 -41.0267 -41.0267 -28.3992 -28.3992 -27.5998 -27.5998 -27.5264 -27.5264 -13.0914 -13.0914 -12.9140 -12.9140 -12.8461 -12.8461 -8.7767 -8.7767 -7.9407 -7.9407 4.7152 4.7152 5.0822 5.0822 5.6081 5.6081 6.7963 6.7963 7.3233 7.3233 7.6569 7.6569 11.0496 11.0496 11.2219 11.2219 11.9575 11.9575 13.5601 13.5601 13.9990 13.9990 k = 0.5327 0.1468-0.1268 ( 2620 PWs) bands (ev): -54.0645 -54.0645 -41.0271 -41.0271 -28.3975 -28.3975 -27.5968 -27.5968 -27.5265 -27.5265 -13.0920 -13.0920 -12.9125 -12.9125 -12.8440 -12.8440 -8.7901 -8.7901 -7.9409 -7.9409 4.6979 4.6979 5.1264 5.1264 5.5992 5.5992 6.7446 6.7446 7.3913 7.3913 7.6815 7.6815 11.0511 11.0511 11.1975 11.1975 11.9517 11.9517 13.6091 13.6091 14.0016 14.0016 k = 0.5300 0.1460-0.1093 ( 2622 PWs) bands (ev): -54.0650 -54.0650 -41.0274 -41.0274 -28.3959 -28.3959 -27.5940 -27.5940 -27.5265 -27.5265 -13.0926 -13.0926 -12.9111 -12.9111 -12.8420 -12.8420 -8.8026 -8.8026 -7.9411 -7.9411 4.6816 4.6816 5.1713 5.1713 5.5908 5.5908 6.6920 6.6920 7.4561 7.4561 7.7049 7.7049 11.0517 11.0517 11.1742 11.1742 11.9462 11.9462 13.6585 13.6585 14.0043 14.0043 k = 0.5272 0.1453-0.0918 ( 2620 PWs) bands (ev): -54.0654 -54.0654 -41.0277 -41.0277 -28.3944 -28.3944 -27.5914 -27.5914 -27.5266 -27.5266 -13.0933 -13.0933 -12.9098 -12.9098 -12.8401 -12.8401 -8.8141 -8.8141 -7.9412 -7.9412 4.6666 4.6666 5.2166 5.2166 5.5830 5.5830 6.6393 6.6393 7.5173 7.5173 7.7270 7.7270 11.0515 11.0515 11.1523 11.1523 11.9409 11.9409 13.7076 13.7076 14.0068 14.0068 k = 0.5245 0.1445-0.0742 ( 2623 PWs) bands (ev): -54.0658 -54.0658 -41.0280 -41.0280 -28.3931 -28.3931 -27.5891 -27.5891 -27.5266 -27.5266 -13.0939 -13.0939 -12.9086 -12.9086 -12.8383 -12.8383 -8.8246 -8.8246 -7.9414 -7.9414 4.6528 4.6528 5.2619 5.2619 5.5759 5.5759 6.5867 6.5867 7.5743 7.5743 7.7475 7.7475 11.0507 11.0507 11.1318 11.1318 11.9361 11.9361 13.7559 13.7559 14.0093 14.0093 k = 0.5218 0.1438-0.0567 ( 2629 PWs) bands (ev): -54.0662 -54.0662 -41.0283 -41.0283 -28.3920 -28.3920 -27.5870 -27.5870 -27.5266 -27.5266 -13.0945 -13.0945 -12.9076 -12.9076 -12.8366 -12.8366 -8.8340 -8.8340 -7.9415 -7.9415 4.6403 4.6403 5.3069 5.3069 5.5694 5.5694 6.5349 6.5349 7.6266 7.6266 7.7665 7.7665 11.0493 11.0493 11.1130 11.1130 11.9316 11.9316 13.8027 13.8027 14.0116 14.0116 k = 0.5191 0.1430-0.0392 ( 2629 PWs) bands (ev): -54.0666 -54.0666 -41.0285 -41.0285 -28.3910 -28.3910 -27.5851 -27.5851 -27.5266 -27.5266 -13.0951 -13.0951 -12.9066 -12.9066 -12.8351 -12.8351 -8.8424 -8.8424 -7.9416 -7.9416 4.6291 4.6291 5.3509 5.3509 5.5637 5.5637 6.4846 6.4846 7.6738 7.6738 7.7838 7.7838 11.0476 11.0476 11.0961 11.0961 11.9276 11.9276 13.8472 13.8472 14.0138 14.0138 k = 0.5163 0.1423-0.0216 ( 2631 PWs) bands (ev): -54.0669 -54.0669 -41.0287 -41.0287 -28.3901 -28.3901 -27.5835 -27.5835 -27.5266 -27.5266 -13.0956 -13.0956 -12.9059 -12.9059 -12.8338 -12.8338 -8.8497 -8.8497 -7.9417 -7.9417 4.6194 4.6194 5.3933 5.3933 5.5587 5.5587 6.4367 6.4367 7.7153 7.7153 7.7994 7.7994 11.0456 11.0456 11.0811 11.0811 11.9241 11.9241 13.8886 13.8886 14.0157 14.0157 k = 0.5136 0.1415-0.0041 ( 2633 PWs) bands (ev): -54.0671 -54.0671 -41.0289 -41.0289 -28.3893 -28.3893 -27.5821 -27.5821 -27.5266 -27.5266 -13.0960 -13.0960 -12.9052 -12.9052 -12.8326 -12.8326 -8.8559 -8.8559 -7.9418 -7.9418 4.6112 4.6112 5.4331 5.4331 5.5544 5.5544 6.3920 6.3920 7.7506 7.7506 7.8133 7.8133 11.0436 11.0436 11.0682 11.0682 11.9211 11.9211 13.9261 13.9261 14.0174 14.0174 k = 0.5109 0.1408 0.0134 ( 2641 PWs) bands (ev): -54.0673 -54.0673 -41.0291 -41.0291 -28.3887 -28.3887 -27.5811 -27.5811 -27.5266 -27.5266 -13.0964 -13.0964 -12.9047 -12.9047 -12.8317 -12.8317 -8.8610 -8.8610 -7.9419 -7.9419 4.6043 4.6043 5.4691 5.4691 5.5509 5.5509 6.3519 6.3519 7.7792 7.7792 7.8256 7.8256 11.0416 11.0416 11.0575 11.0575 11.9186 11.9186 13.9585 13.9585 14.0188 14.0188 k = 0.5082 0.1400 0.0310 ( 2643 PWs) bands (ev): -54.0675 -54.0675 -41.0292 -41.0292 -28.3882 -28.3882 -27.5802 -27.5802 -27.5266 -27.5266 -13.0967 -13.0967 -12.9043 -12.9043 -12.8310 -12.8310 -8.8650 -8.8650 -7.9419 -7.9419 4.5990 4.5990 5.4997 5.4997 5.5482 5.5482 6.3179 6.3179 7.8004 7.8004 7.8365 7.8365 11.0398 11.0398 11.0492 11.0492 11.9166 11.9166 13.9850 13.9850 14.0201 14.0201 k = 0.5054 0.1393 0.0485 ( 2642 PWs) bands (ev): -54.0676 -54.0676 -41.0293 -41.0293 -28.3879 -28.3879 -27.5796 -27.5796 -27.5265 -27.5265 -13.0969 -13.0969 -12.9040 -12.9040 -12.8304 -12.8304 -8.8678 -8.8678 -7.9420 -7.9420 4.5952 4.5952 5.5233 5.5233 5.5466 5.5466 6.2917 6.2917 7.8144 7.8144 7.8458 7.8458 11.0383 11.0383 11.0434 11.0434 11.9152 11.9152 14.0045 14.0045 14.0212 14.0212 k = 0.5027 0.1385 0.0660 ( 2646 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3877 -28.3877 -27.5792 -27.5792 -27.5265 -27.5265 -13.0971 -13.0971 -12.9038 -12.9038 -12.8301 -12.8301 -8.8696 -8.8696 -7.9420 -7.9420 4.5929 4.5929 5.5371 5.5371 5.5467 5.5467 6.2751 6.2751 7.8220 7.8220 7.8522 7.8522 11.0369 11.0369 11.0403 11.0403 11.9144 11.9144 14.0156 14.0156 14.0227 14.0227 k = 0.5000 0.1378 0.0836 ( 2648 PWs) bands (ev): -54.0677 -54.0677 -41.0293 -41.0293 -28.3876 -28.3876 -27.5791 -27.5791 -27.5265 -27.5265 -13.0971 -13.0971 -12.9038 -12.9038 -12.8300 -12.8300 -8.8701 -8.8701 -7.9420 -7.9420 4.5921 4.5921 5.5404 5.5404 5.5482 5.5482 6.2694 6.2694 7.8244 7.8244 7.8545 7.8545 11.0362 11.0362 11.0394 11.0394 11.9141 11.9141 14.0183 14.0183 14.0243 14.0243 k = 0.5000-0.8383-0.5085 ( 2588 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1955 -13.1955 -12.9592 -12.9592 -12.8724 -12.8724 -8.0741 -8.0741 -7.8135 -7.8135 3.9543 3.9543 5.1450 5.1450 5.8012 5.8012 5.8486 5.8486 6.6704 6.6704 6.9611 6.9611 10.7331 10.7331 11.9871 11.9871 12.1840 12.1840 13.8951 13.8951 14.1631 14.1631 k = 0.5158-0.8314-0.5043 ( 2590 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1955 -13.1955 -12.9592 -12.9592 -12.8724 -12.8724 -8.0744 -8.0744 -7.8132 -7.8132 3.9535 3.9535 5.1445 5.1445 5.8023 5.8023 5.8486 5.8486 6.6712 6.6712 6.9611 6.9611 10.7324 10.7324 11.9870 11.9870 12.1839 12.1839 13.8952 13.8952 14.1631 14.1631 k = 0.5316-0.8245-0.5002 ( 2592 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1955 -13.1955 -12.9592 -12.9592 -12.8724 -12.8724 -8.0752 -8.0752 -7.8124 -7.8124 3.9512 3.9512 5.1431 5.1431 5.8057 5.8057 5.8487 5.8487 6.6737 6.6737 6.9611 6.9611 10.7306 10.7306 11.9870 11.9870 12.1839 12.1839 13.8956 13.8956 14.1632 14.1632 k = 0.5474-0.8176-0.4960 ( 2594 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1954 -13.1954 -12.9592 -12.9592 -12.8724 -12.8724 -8.0766 -8.0766 -7.8111 -7.8111 3.9473 3.9473 5.1407 5.1407 5.8112 5.8112 5.8487 5.8487 6.6779 6.6779 6.9610 6.9610 10.7275 10.7275 11.9869 11.9869 12.1839 12.1839 13.8961 13.8961 14.1633 14.1633 k = 0.5632-0.8108-0.4918 ( 2596 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1953 -13.1953 -12.9592 -12.9592 -12.8724 -12.8724 -8.0785 -8.0785 -7.8093 -7.8093 3.9421 3.9421 5.1375 5.1375 5.8186 5.8186 5.8489 5.8489 6.6836 6.6836 6.9610 6.9610 10.7233 10.7233 11.9869 11.9869 12.1839 12.1839 13.8969 13.8969 14.1636 14.1636 k = 0.5790-0.8039-0.4876 ( 2594 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5176 -28.5176 -27.7614 -27.7614 -27.5081 -27.5081 -13.1952 -13.1952 -12.9591 -12.9591 -12.8724 -12.8724 -8.0808 -8.0808 -7.8071 -7.8071 3.9355 3.9355 5.1336 5.1336 5.8277 5.8277 5.8493 5.8493 6.6910 6.6910 6.9610 6.9610 10.7179 10.7179 11.9868 11.9868 12.1838 12.1838 13.8979 13.8979 14.1639 14.1639 k = 0.5948-0.7970-0.4834 ( 2592 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5175 -28.5175 -27.7614 -27.7614 -27.5081 -27.5081 -13.1951 -13.1951 -12.9591 -12.9591 -12.8724 -12.8724 -8.0836 -8.0836 -7.8044 -7.8044 3.9276 3.9276 5.1291 5.1291 5.8376 5.8376 5.8505 5.8505 6.6997 6.6997 6.9610 6.9610 10.7115 10.7115 11.9868 11.9868 12.1838 12.1838 13.8993 13.8993 14.1642 14.1642 k = 0.6106-0.7901-0.4793 ( 2593 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5175 -28.5175 -27.7613 -27.7613 -27.5081 -27.5081 -13.1949 -13.1949 -12.9591 -12.9591 -12.8724 -12.8724 -8.0866 -8.0866 -7.8015 -7.8015 3.9187 3.9187 5.1240 5.1240 5.8447 5.8447 5.8559 5.8559 6.7099 6.7099 6.9609 6.9609 10.7040 10.7040 11.9867 11.9867 12.1837 12.1837 13.9009 13.9009 14.1646 14.1646 k = 0.6264-0.7832-0.4751 ( 2596 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5175 -28.5175 -27.7613 -27.7613 -27.5082 -27.5082 -13.1948 -13.1948 -12.9591 -12.9591 -12.8724 -12.8724 -8.0900 -8.0900 -7.7983 -7.7983 3.9088 3.9088 5.1186 5.1186 5.8467 5.8467 5.8675 5.8675 6.7213 6.7213 6.9609 6.9609 10.6957 10.6957 11.9865 11.9865 12.1836 12.1836 13.9028 13.9028 14.1650 14.1650 k = 0.6422-0.7763-0.4709 ( 2597 PWs) bands (ev): -54.0326 -54.0326 -41.0049 -41.0049 -28.5175 -28.5175 -27.7613 -27.7613 -27.5082 -27.5082 -13.1946 -13.1946 -12.9590 -12.9590 -12.8724 -12.8724 -8.0936 -8.0936 -7.7950 -7.7950 3.8982 3.8982 5.1130 5.1130 5.8473 5.8473 5.8814 5.8814 6.7338 6.7338 6.9609 6.9609 10.6864 10.6864 11.9864 11.9864 12.1835 12.1835 13.9051 13.9051 14.1655 14.1655 k = 0.6580-0.7694-0.4667 ( 2596 PWs) bands (ev): -54.0327 -54.0327 -41.0049 -41.0049 -28.5174 -28.5174 -27.7612 -27.7612 -27.5082 -27.5082 -13.1944 -13.1944 -12.9590 -12.9590 -12.8724 -12.8724 -8.0973 -8.0973 -7.7915 -7.7915 3.8869 3.8869 5.1071 5.1071 5.8476 5.8476 5.8964 5.8964 6.7472 6.7472 6.9608 6.9608 10.6765 10.6765 11.9863 11.9863 12.1835 12.1835 13.9077 13.9077 14.1661 14.1661 k = 0.6738-0.7625-0.4625 ( 2604 PWs) bands (ev): -54.0327 -54.0327 -41.0049 -41.0049 -28.5174 -28.5174 -27.7612 -27.7612 -27.5082 -27.5082 -13.1942 -13.1942 -12.9590 -12.9590 -12.8724 -12.8724 -8.1011 -8.1011 -7.7879 -7.7879 3.8751 3.8751 5.1013 5.1013 5.8478 5.8478 5.9118 5.9118 6.7615 6.7615 6.9608 6.9608 10.6660 10.6660 11.9861 11.9861 12.1834 12.1834 13.9107 13.9107 14.1666 14.1666 k = 0.6896-0.7556-0.4584 ( 2601 PWs) bands (ev): -54.0327 -54.0327 -41.0049 -41.0049 -28.5173 -28.5173 -27.7611 -27.7611 -27.5082 -27.5082 -13.1940 -13.1940 -12.9589 -12.9589 -12.8724 -12.8724 -8.1050 -8.1050 -7.7843 -7.7843 3.8631 3.8631 5.0955 5.0955 5.8479 5.8479 5.9276 5.9276 6.7764 6.7764 6.9608 6.9608 10.6549 10.6549 11.9859 11.9859 12.1833 12.1833 13.9141 13.9141 14.1672 14.1672 k = 0.7054-0.7487-0.4542 ( 2599 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5172 -28.5172 -27.7610 -27.7610 -27.5082 -27.5082 -13.1937 -13.1937 -12.9588 -12.9588 -12.8724 -12.8724 -8.1088 -8.1088 -7.7808 -7.7808 3.8509 3.8509 5.0898 5.0898 5.8480 5.8480 5.9432 5.9432 6.7918 6.7918 6.9608 6.9608 10.6436 10.6436 11.9858 11.9858 12.1833 12.1833 13.9180 13.9180 14.1678 14.1678 k = 0.7212-0.7419-0.4500 ( 2605 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5172 -28.5172 -27.7610 -27.7610 -27.5083 -27.5083 -13.1935 -13.1935 -12.9588 -12.9588 -12.8724 -12.8724 -8.1126 -8.1126 -7.7774 -7.7774 3.8388 3.8388 5.0843 5.0843 5.8481 5.8481 5.9587 5.9587 6.8074 6.8074 6.9608 6.9608 10.6320 10.6320 11.9855 11.9855 12.1831 12.1831 13.9222 13.9222 14.1684 14.1684 k = 0.7370-0.7350-0.4458 ( 2609 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5172 -28.5172 -27.7609 -27.7609 -27.5083 -27.5083 -13.1933 -13.1933 -12.9588 -12.9588 -12.8724 -12.8724 -8.1162 -8.1162 -7.7742 -7.7742 3.8269 3.8269 5.0790 5.0790 5.8482 5.8482 5.9738 5.9738 6.8230 6.8230 6.9609 6.9609 10.6203 10.6203 11.9853 11.9853 12.1831 12.1831 13.9268 13.9268 14.1690 14.1690 k = 0.7528-0.7281-0.4417 ( 2607 PWs) bands (ev): -54.0327 -54.0327 -41.0050 -41.0050 -28.5171 -28.5171 -27.7609 -27.7609 -27.5083 -27.5083 -13.1930 -13.1930 -12.9587 -12.9587 -12.8724 -12.8724 -8.1198 -8.1198 -7.7711 -7.7711 3.8153 3.8153 5.0741 5.0741 5.8484 5.8484 5.9885 5.9885 6.8384 6.8384 6.9610 6.9610 10.6088 10.6088 11.9851 11.9851 12.1831 12.1831 13.9318 13.9318 14.1695 14.1695 k = 0.7686-0.7212-0.4375 ( 2609 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5170 -28.5170 -27.7608 -27.7608 -27.5084 -27.5084 -13.1927 -13.1927 -12.9587 -12.9587 -12.8724 -12.8724 -8.1231 -8.1231 -7.7683 -7.7683 3.8042 3.8042 5.0695 5.0695 5.8485 5.8485 6.0024 6.0024 6.8534 6.8534 6.9611 6.9611 10.5975 10.5975 11.9849 11.9849 12.1831 12.1831 13.9372 13.9372 14.1701 14.1701 k = 0.7844-0.7143-0.4333 ( 2607 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5169 -28.5169 -27.7607 -27.7607 -27.5084 -27.5084 -13.1925 -13.1925 -12.9586 -12.9586 -12.8724 -12.8724 -8.1262 -8.1262 -7.7657 -7.7657 3.7938 3.7938 5.0653 5.0653 5.8487 5.8487 6.0156 6.0156 6.8677 6.8677 6.9614 6.9614 10.5867 10.5867 11.9847 11.9847 12.1831 12.1831 13.9429 13.9429 14.1706 14.1706 k = 0.8002-0.7074-0.4291 ( 2603 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5168 -28.5168 -27.7606 -27.7606 -27.5084 -27.5084 -13.1922 -13.1922 -12.9585 -12.9585 -12.8724 -12.8724 -8.1290 -8.1290 -7.7634 -7.7634 3.7841 3.7841 5.0614 5.0614 5.8490 5.8490 6.0278 6.0278 6.8812 6.8812 6.9618 6.9618 10.5764 10.5764 11.9844 11.9844 12.1831 12.1831 13.9489 13.9489 14.1711 14.1711 k = 0.8160-0.7005-0.4249 ( 2603 PWs) bands (ev): -54.0328 -54.0328 -41.0050 -41.0050 -28.5167 -28.5167 -27.7605 -27.7605 -27.5084 -27.5084 -13.1919 -13.1919 -12.9585 -12.9585 -12.8724 -12.8724 -8.1316 -8.1316 -7.7615 -7.7615 3.7752 3.7752 5.0581 5.0581 5.8491 5.8491 6.0391 6.0391 6.8935 6.8935 6.9624 6.9624 10.5667 10.5667 11.9841 11.9841 12.1832 12.1832 13.9551 13.9551 14.1715 14.1715 Writing output data file NaVO2.save init_run : 0.38s CPU 0.58s WALL ( 1 calls) electrons : 159.27s CPU 161.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 159.26s CPU 161.07s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 402 calls) cegterg : 142.65s CPU 144.00s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 117.48s CPU 118.70s WALL ( 5887 calls) s_psi : 1.44s CPU 1.50s WALL ( 5887 calls) g_psi : 0.14s CPU 0.12s WALL ( 5082 calls) cdiaghg : 29.46s CPU 29.77s WALL ( 5484 calls) cegterg:over : 2.89s CPU 3.05s WALL ( 5082 calls) cegterg:upda : 2.13s CPU 2.18s WALL ( 5082 calls) cegterg:last : 1.48s CPU 1.37s WALL ( 1207 calls) cdiaghg:chol : 1.76s CPU 1.65s WALL ( 5484 calls) cdiaghg:inve : 0.89s CPU 0.93s WALL ( 5484 calls) cdiaghg:para : 1.71s CPU 1.69s WALL ( 10968 calls) Called by h_psi: h_psi:vloc : 113.27s CPU 114.58s WALL ( 5887 calls) h_psi:vnl : 4.07s CPU 4.00s WALL ( 5887 calls) add_vuspsi : 2.06s CPU 1.92s WALL ( 5887 calls) General routines calbec : 1.99s CPU 2.07s WALL ( 5887 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 101.96s CPU 102.84s WALL ( 666188 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 804 calls) Parallel routines fft_scatter : 26.39s CPU 26.79s WALL ( 666211 calls) PWSCF : 2m53.64s CPU 3m25.49s WALL This run was terminated on: 21:13:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=