Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:47:35 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: ./LiRhO2.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 47 47 13 995 995 153 Max 48 48 14 998 998 156 Sum 1709 1709 491 35861 35861 5557 bravais-lattice index = 14 lattice parameter (alat) = 9.5914 a.u. unit-cell volume = 254.0714 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.591406 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.822982 celldm(5)= 0.822982 celldm(6)= 0.822982 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.822982 0.568067 0.000000 ) a(3) = ( 0.822982 0.256453 0.506885 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.448741 -0.890633 ) b(2) = ( 0.000000 1.760355 -0.890633 ) b(3) = ( 0.000000 0.000000 1.972835 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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) Li 3.00 6.94100 Li( 1.00) Rh 17.00 102.90550 Rh( 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= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0080645 -0.0116834 -0.0071825), wk = 0.0024631 k( 3) = ( 0.0161290 -0.0233668 -0.0143650), wk = 0.0024631 k( 4) = ( 0.0241936 -0.0350502 -0.0215476), wk = 0.0024631 k( 5) = ( 0.0322581 -0.0467336 -0.0287301), wk = 0.0024631 k( 6) = ( 0.0403226 -0.0584170 -0.0359126), wk = 0.0024631 k( 7) = ( 0.0483871 -0.0701004 -0.0430951), wk = 0.0024631 k( 8) = ( 0.0564516 -0.0817837 -0.0502777), wk = 0.0024631 k( 9) = ( 0.0645161 -0.0934671 -0.0574602), wk = 0.0024631 k( 10) = ( 0.0725806 -0.1051505 -0.0646427), wk = 0.0024631 k( 11) = ( 0.0806452 -0.1168339 -0.0718252), wk = 0.0024631 k( 12) = ( 0.0887097 -0.1285173 -0.0790078), wk = 0.0024631 k( 13) = ( 0.0967742 -0.1402007 -0.0861903), wk = 0.0024631 k( 14) = ( 0.1048387 -0.1518841 -0.0933728), wk = 0.0024631 k( 15) = ( 0.1129032 -0.1635675 -0.1005553), wk = 0.0024631 k( 16) = ( 0.1209677 -0.1752509 -0.1077378), wk = 0.0024631 k( 17) = ( 0.1290323 -0.1869343 -0.1149204), wk = 0.0024631 k( 18) = ( 0.1370968 -0.1986177 -0.1221029), wk = 0.0024631 k( 19) = ( 0.1451613 -0.2103011 -0.1292854), wk = 0.0024631 k( 20) = ( 0.1532258 -0.2219845 -0.1364679), wk = 0.0024631 k( 21) = ( 0.1612903 -0.2336679 -0.1436505), wk = 0.0024631 k( 22) = ( 0.1693548 -0.2453513 -0.1508330), wk = 0.0024631 k( 23) = ( 0.1774194 -0.2570346 -0.1580155), wk = 0.0024631 k( 24) = ( 0.1854839 -0.2687180 -0.1651980), wk = 0.0024631 k( 25) = ( 0.1935484 -0.2804014 -0.1723805), wk = 0.0024631 k( 26) = ( 0.2016129 -0.2920848 -0.1795631), wk = 0.0024631 k( 27) = ( 0.2096774 -0.3037682 -0.1867456), wk = 0.0024631 k( 28) = ( 0.2177419 -0.3154516 -0.1939281), wk = 0.0024631 k( 29) = ( 0.2258064 -0.3271350 -0.2011106), wk = 0.0024631 k( 30) = ( 0.2338710 -0.3388184 -0.2082932), wk = 0.0024631 k( 31) = ( 0.2419355 -0.3505018 -0.2154757), wk = 0.0024631 k( 32) = ( 0.2500000 -0.3621852 -0.2226582), wk = 0.0024631 k( 33) = ( 0.2580645 -0.3738686 -0.2298407), wk = 0.0024631 k( 34) = ( 0.2661290 -0.3855520 -0.2370232), wk = 0.0024631 k( 35) = ( 0.2741936 -0.3972354 -0.2442058), wk = 0.0024631 k( 36) = ( 0.2822581 -0.4089188 -0.2513883), wk = 0.0024631 k( 37) = ( 0.2903226 -0.4206022 -0.2585708), wk = 0.0024631 k( 38) = ( 0.2983871 -0.4322856 -0.2657533), wk = 0.0024631 k( 39) = ( 0.3064516 -0.4439689 -0.2729359), wk = 0.0024631 k( 40) = ( 0.3145161 -0.4556523 -0.2801184), wk = 0.0024631 k( 41) = ( 0.3225807 -0.4673357 -0.2873009), wk = 0.0024631 k( 42) = ( 0.3306452 -0.4790191 -0.2944834), wk = 0.0024631 k( 43) = ( 0.3387097 -0.4907025 -0.3016660), wk = 0.0024631 k( 44) = ( 0.3467742 -0.5023859 -0.3088485), wk = 0.0024631 k( 45) = ( 0.3548387 -0.5140693 -0.3160310), wk = 0.0024631 k( 46) = ( 0.3629032 -0.5257527 -0.3232135), wk = 0.0024631 k( 47) = ( 0.3709677 -0.5374361 -0.3303960), wk = 0.0024631 k( 48) = ( 0.3790323 -0.5491195 -0.3375786), wk = 0.0024631 k( 49) = ( 0.3870968 -0.5608029 -0.3447611), wk = 0.0024631 k( 50) = ( 0.3951613 -0.5724863 -0.3519436), wk = 0.0024631 k( 51) = ( 0.4032258 -0.5841697 -0.3591261), wk = 0.0024631 k( 52) = ( 0.4112903 -0.5958531 -0.3663087), wk = 0.0024631 k( 53) = ( 0.4193548 -0.6075365 -0.3734912), wk = 0.0024631 k( 54) = ( 0.4274193 -0.6192198 -0.3806737), wk = 0.0024631 k( 55) = ( 0.4354839 -0.6309032 -0.3878562), wk = 0.0024631 k( 56) = ( 0.4435484 -0.6425866 -0.3950388), wk = 0.0024631 k( 57) = ( 0.4516129 -0.6542700 -0.4022213), wk = 0.0024631 k( 58) = ( 0.4596774 -0.6659534 -0.4094038), wk = 0.0024631 k( 59) = ( 0.4677419 -0.6776368 -0.4165863), wk = 0.0024631 k( 60) = ( 0.4758064 -0.6893202 -0.4237688), wk = 0.0024631 k( 61) = ( 0.4838710 -0.7010036 -0.4309514), wk = 0.0024631 k( 62) = ( 0.4919355 -0.7126870 -0.4381339), wk = 0.0024631 k( 63) = ( 0.5000000 -0.7243704 -0.4453164), wk = 0.0024631 k( 64) = ( 0.5000000 -0.7243704 -0.4453164), wk = 0.0024631 k( 65) = ( 0.5000000 -0.7160542 -0.4588439), wk = 0.0024631 k( 66) = ( 0.5000000 -0.7077379 -0.4723715), wk = 0.0024631 k( 67) = ( 0.5000000 -0.6994217 -0.4858990), wk = 0.0024631 k( 68) = ( 0.5000000 -0.6911055 -0.4994265), wk = 0.0024631 k( 69) = ( 0.5000000 -0.6827893 -0.5129540), wk = 0.0024631 k( 70) = ( 0.5000000 -0.6744730 -0.5264815), wk = 0.0024631 k( 71) = ( 0.5000000 -0.6661568 -0.5400091), wk = 0.0024631 k( 72) = ( 0.5000000 -0.6578406 -0.5535366), wk = 0.0024631 k( 73) = ( 0.5000000 -0.6495244 -0.5670641), wk = 0.0024631 k( 74) = ( 0.5000000 -0.6412081 -0.5805917), wk = 0.0024631 k( 75) = ( 0.5000000 -0.6328919 -0.5941192), wk = 0.0024631 k( 76) = ( 0.5000000 -0.6245757 -0.6076467), wk = 0.0024631 k( 77) = ( 0.5000000 -0.6162595 -0.6211742), wk = 0.0024631 k( 78) = ( 0.5000000 -0.6079432 -0.6347017), wk = 0.0024631 k( 79) = ( 0.5000000 -0.5996270 -0.6482292), wk = 0.0024631 k( 80) = ( 0.5000000 -0.5913108 -0.6617568), wk = 0.0024631 k( 81) = ( 0.5000000 -0.5829945 -0.6752843), wk = 0.0024631 k( 82) = ( 0.5000000 -0.5746783 -0.6888118), wk = 0.0024631 k( 83) = ( 0.5000000 -0.5663621 -0.7023394), wk = 0.0024631 k( 84) = ( 0.5000000 -0.5580459 -0.7158669), wk = 0.0024631 k( 85) = ( 0.5000000 -0.5497296 -0.7293944), wk = 0.0024631 k( 86) = ( 0.5000000 -0.5414134 -0.7429219), wk = 0.0024631 k( 87) = ( 0.5000000 -0.5330972 -0.7564494), wk = 0.0024631 k( 88) = ( 0.5000000 -0.5247810 -0.7699770), wk = 0.0024631 k( 89) = ( 0.5000000 -0.5164647 -0.7835045), wk = 0.0024631 k( 90) = ( 0.5000000 -0.5081485 -0.7970320), wk = 0.0024631 k( 91) = ( 0.5000000 -0.4998323 -0.8105595), wk = 0.0024631 k( 92) = ( 0.5000000 -0.4915160 -0.8240871), wk = 0.0024631 k( 93) = ( 0.5000000 -0.4831998 -0.8376146), wk = 0.0024631 k( 94) = ( 0.5000000 -0.4748836 -0.8511421), wk = 0.0024631 k( 95) = ( 0.5000000 -0.4665674 -0.8646696), wk = 0.0024631 k( 96) = ( 0.5000000 -0.4582511 -0.8781972), wk = 0.0024631 k( 97) = ( 0.5000000 -0.4499349 -0.8917247), wk = 0.0024631 k( 98) = ( 0.5000000 -0.4416187 -0.9052522), wk = 0.0024631 k( 99) = ( 0.5000000 -0.4333025 -0.9187797), wk = 0.0024631 k( 100) = ( 0.5000000 -0.4249862 -0.9323072), wk = 0.0024631 k( 101) = ( 0.5000000 -0.4166700 -0.9458348), wk = 0.0024631 k( 102) = ( 0.5000000 -0.4083538 -0.9593623), wk = 0.0024631 k( 103) = ( 0.5000000 -0.4000376 -0.9728898), wk = 0.0024631 k( 104) = ( 0.5000000 -0.3917213 -0.9864173), wk = 0.0024631 k( 105) = ( 0.8110330 -0.2947990 -0.7948483), wk = 0.0024631 k( 106) = ( 0.8062478 -0.2878666 -0.7811462), wk = 0.0024631 k( 107) = ( 0.8014627 -0.2809342 -0.7674442), wk = 0.0024631 k( 108) = ( 0.7966776 -0.2740018 -0.7537422), wk = 0.0024631 k( 109) = ( 0.7918925 -0.2670694 -0.7400401), wk = 0.0024631 k( 110) = ( 0.7871074 -0.2601370 -0.7263381), wk = 0.0024631 k( 111) = ( 0.7823222 -0.2532046 -0.7126360), wk = 0.0024631 k( 112) = ( 0.7775371 -0.2462722 -0.6989340), wk = 0.0024631 k( 113) = ( 0.7727520 -0.2393398 -0.6852319), wk = 0.0024631 k( 114) = ( 0.7679669 -0.2324074 -0.6715299), wk = 0.0024631 k( 115) = ( 0.7631817 -0.2254750 -0.6578279), wk = 0.0024631 k( 116) = ( 0.7583966 -0.2185426 -0.6441258), wk = 0.0024631 k( 117) = ( 0.7536115 -0.2116102 -0.6304238), wk = 0.0024631 k( 118) = ( 0.7488264 -0.2046778 -0.6167217), wk = 0.0024631 k( 119) = ( 0.7440413 -0.1977454 -0.6030197), wk = 0.0024631 k( 120) = ( 0.7392561 -0.1908130 -0.5893177), wk = 0.0024631 k( 121) = ( 0.7344710 -0.1838806 -0.5756156), wk = 0.0024631 k( 122) = ( 0.7296859 -0.1769482 -0.5619136), wk = 0.0024631 k( 123) = ( 0.7249008 -0.1700158 -0.5482115), wk = 0.0024631 k( 124) = ( 0.7201156 -0.1630834 -0.5345095), wk = 0.0024631 k( 125) = ( 0.7153305 -0.1561510 -0.5208074), wk = 0.0024631 k( 126) = ( 0.7105454 -0.1492186 -0.5071054), wk = 0.0024631 k( 127) = ( 0.7057603 -0.1422862 -0.4934034), wk = 0.0024631 k( 128) = ( 0.7009751 -0.1353538 -0.4797013), wk = 0.0024631 k( 129) = ( 0.6961900 -0.1284214 -0.4659993), wk = 0.0024631 k( 130) = ( 0.6914049 -0.1214890 -0.4522972), wk = 0.0024631 k( 131) = ( 0.6866198 -0.1145566 -0.4385952), wk = 0.0024631 k( 132) = ( 0.6818347 -0.1076242 -0.4248931), wk = 0.0024631 k( 133) = ( 0.6770495 -0.1006918 -0.4111911), wk = 0.0024631 k( 134) = ( 0.6722644 -0.0937594 -0.3974890), wk = 0.0024631 k( 135) = ( 0.6674793 -0.0868269 -0.3837870), wk = 0.0024631 k( 136) = ( 0.6626942 -0.0798946 -0.3700849), wk = 0.0024631 k( 137) = ( 0.6579090 -0.0729622 -0.3563829), wk = 0.0024631 k( 138) = ( 0.6531239 -0.0660298 -0.3426809), wk = 0.0024631 k( 139) = ( 0.6483388 -0.0590973 -0.3289788), wk = 0.0024631 k( 140) = ( 0.6435537 -0.0521649 -0.3152768), wk = 0.0024631 k( 141) = ( 0.6387686 -0.0452325 -0.3015747), wk = 0.0024631 k( 142) = ( 0.6339834 -0.0383001 -0.2878727), wk = 0.0024631 k( 143) = ( 0.6291983 -0.0313677 -0.2741706), wk = 0.0024631 k( 144) = ( 0.6244132 -0.0244353 -0.2604686), wk = 0.0024631 k( 145) = ( 0.6196281 -0.0175029 -0.2467666), wk = 0.0024631 k( 146) = ( 0.6148429 -0.0105705 -0.2330645), wk = 0.0024631 k( 147) = ( 0.6100578 -0.0036381 -0.2193625), wk = 0.0024631 k( 148) = ( 0.6052727 0.0032943 -0.2056604), wk = 0.0024631 k( 149) = ( 0.6004876 0.0102267 -0.1919584), wk = 0.0024631 k( 150) = ( 0.5957024 0.0171591 -0.1782563), wk = 0.0024631 k( 151) = ( 0.5909173 0.0240915 -0.1645543), wk = 0.0024631 k( 152) = ( 0.5861322 0.0310239 -0.1508523), wk = 0.0024631 k( 153) = ( 0.5813471 0.0379563 -0.1371502), wk = 0.0024631 k( 154) = ( 0.5765620 0.0448887 -0.1234482), wk = 0.0024631 k( 155) = ( 0.5717768 0.0518211 -0.1097461), wk = 0.0024631 k( 156) = ( 0.5669917 0.0587535 -0.0960441), wk = 0.0024631 k( 157) = ( 0.5622066 0.0656859 -0.0823421), wk = 0.0024631 k( 158) = ( 0.5574215 0.0726183 -0.0686400), wk = 0.0024631 k( 159) = ( 0.5526363 0.0795507 -0.0549380), wk = 0.0024631 k( 160) = ( 0.5478512 0.0864831 -0.0412359), wk = 0.0024631 k( 161) = ( 0.5430661 0.0934155 -0.0275339), wk = 0.0024631 k( 162) = ( 0.5382810 0.1003479 -0.0138318), wk = 0.0024631 k( 163) = ( 0.5334959 0.1072803 -0.0001298), wk = 0.0024631 k( 164) = ( 0.5287107 0.1142127 0.0135723), wk = 0.0024631 k( 165) = ( 0.5239256 0.1211451 0.0272743), wk = 0.0024631 k( 166) = ( 0.5191405 0.1280775 0.0409763), wk = 0.0024631 k( 167) = ( 0.5143554 0.1350099 0.0546784), wk = 0.0024631 k( 168) = ( 0.5095703 0.1419423 0.0683804), wk = 0.0024631 k( 169) = ( 0.5047851 0.1488747 0.0820825), wk = 0.0024631 k( 170) = ( 0.5000000 0.1558071 0.0957845), wk = 0.0024631 k( 171) = ( 0.5000000 0.1558071 0.0957845), wk = 0.0024631 k( 172) = ( 0.4848485 0.1510857 0.0928820), wk = 0.0024631 k( 173) = ( 0.4696970 0.1463643 0.0899794), wk = 0.0024631 k( 174) = ( 0.4545455 0.1416428 0.0870768), wk = 0.0024631 k( 175) = ( 0.4393939 0.1369214 0.0841743), wk = 0.0024631 k( 176) = ( 0.4242424 0.1322000 0.0812717), wk = 0.0024631 k( 177) = ( 0.4090909 0.1274786 0.0783692), wk = 0.0024631 k( 178) = ( 0.3939394 0.1227571 0.0754666), wk = 0.0024631 k( 179) = ( 0.3787879 0.1180357 0.0725640), wk = 0.0024631 k( 180) = ( 0.3636364 0.1133143 0.0696615), wk = 0.0024631 k( 181) = ( 0.3484849 0.1085928 0.0667589), wk = 0.0024631 k( 182) = ( 0.3333333 0.1038714 0.0638563), wk = 0.0024631 k( 183) = ( 0.3181818 0.0991500 0.0609538), wk = 0.0024631 k( 184) = ( 0.3030303 0.0944286 0.0580512), wk = 0.0024631 k( 185) = ( 0.2878788 0.0897071 0.0551487), wk = 0.0024631 k( 186) = ( 0.2727273 0.0849857 0.0522461), wk = 0.0024631 k( 187) = ( 0.2575758 0.0802643 0.0493435), wk = 0.0024631 k( 188) = ( 0.2424242 0.0755428 0.0464410), wk = 0.0024631 k( 189) = ( 0.2272727 0.0708214 0.0435384), wk = 0.0024631 k( 190) = ( 0.2121212 0.0661000 0.0406359), wk = 0.0024631 k( 191) = ( 0.1969697 0.0613786 0.0377333), wk = 0.0024631 k( 192) = ( 0.1818182 0.0566571 0.0348307), wk = 0.0024631 k( 193) = ( 0.1666667 0.0519357 0.0319282), wk = 0.0024631 k( 194) = ( 0.1515151 0.0472143 0.0290256), wk = 0.0024631 k( 195) = ( 0.1363636 0.0424929 0.0261231), wk = 0.0024631 k( 196) = ( 0.1212121 0.0377714 0.0232205), wk = 0.0024631 k( 197) = ( 0.1060606 0.0330500 0.0203179), wk = 0.0024631 k( 198) = ( 0.0909091 0.0283286 0.0174154), wk = 0.0024631 k( 199) = ( 0.0757576 0.0236071 0.0145128), wk = 0.0024631 k( 200) = ( 0.0606061 0.0188857 0.0116102), wk = 0.0024631 k( 201) = ( 0.0454546 0.0141643 0.0087077), wk = 0.0024631 k( 202) = ( 0.0303030 0.0094429 0.0058051), wk = 0.0024631 k( 203) = ( 0.0151515 0.0047214 0.0029026), wk = 0.0024631 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 206) = ( 0.0047845 -0.0069315 -0.0137002), wk = 0.0024631 k( 207) = ( 0.0095690 -0.0138630 -0.0274005), wk = 0.0024631 k( 208) = ( 0.0143535 -0.0207945 -0.0411007), wk = 0.0024631 k( 209) = ( 0.0191380 -0.0277260 -0.0548010), wk = 0.0024631 k( 210) = ( 0.0239225 -0.0346575 -0.0685012), wk = 0.0024631 k( 211) = ( 0.0287070 -0.0415889 -0.0822014), wk = 0.0024631 k( 212) = ( 0.0334914 -0.0485204 -0.0959017), wk = 0.0024631 k( 213) = ( 0.0382760 -0.0554519 -0.1096019), wk = 0.0024631 k( 214) = ( 0.0430604 -0.0623834 -0.1233022), wk = 0.0024631 k( 215) = ( 0.0478449 -0.0693149 -0.1370024), wk = 0.0024631 k( 216) = ( 0.0526294 -0.0762464 -0.1507027), wk = 0.0024631 k( 217) = ( 0.0574139 -0.0831779 -0.1644029), wk = 0.0024631 k( 218) = ( 0.0621984 -0.0901094 -0.1781031), wk = 0.0024631 k( 219) = ( 0.0669829 -0.0970409 -0.1918034), wk = 0.0024631 k( 220) = ( 0.0717674 -0.1039724 -0.2055036), wk = 0.0024631 k( 221) = ( 0.0765519 -0.1109038 -0.2192038), wk = 0.0024631 k( 222) = ( 0.0813364 -0.1178353 -0.2329041), wk = 0.0024631 k( 223) = ( 0.0861209 -0.1247668 -0.2466043), wk = 0.0024631 k( 224) = ( 0.0909054 -0.1316983 -0.2603046), wk = 0.0024631 k( 225) = ( 0.0956899 -0.1386298 -0.2740048), wk = 0.0024631 k( 226) = ( 0.1004744 -0.1455613 -0.2877051), wk = 0.0024631 k( 227) = ( 0.1052589 -0.1524928 -0.3014053), wk = 0.0024631 k( 228) = ( 0.1100433 -0.1594243 -0.3151055), wk = 0.0024631 k( 229) = ( 0.1148278 -0.1663558 -0.3288058), wk = 0.0024631 k( 230) = ( 0.1196123 -0.1732873 -0.3425060), wk = 0.0024631 k( 231) = ( 0.1243968 -0.1802187 -0.3562062), wk = 0.0024631 k( 232) = ( 0.1291813 -0.1871502 -0.3699065), wk = 0.0024631 k( 233) = ( 0.1339658 -0.1940817 -0.3836067), wk = 0.0024631 k( 234) = ( 0.1387503 -0.2010132 -0.3973070), wk = 0.0024631 k( 235) = ( 0.1435348 -0.2079447 -0.4110072), wk = 0.0024631 k( 236) = ( 0.1483193 -0.2148762 -0.4247075), wk = 0.0024631 k( 237) = ( 0.1531038 -0.2218077 -0.4384077), wk = 0.0024631 k( 238) = ( 0.1578883 -0.2287392 -0.4521080), wk = 0.0024631 k( 239) = ( 0.1626728 -0.2356707 -0.4658082), wk = 0.0024631 k( 240) = ( 0.1674573 -0.2426022 -0.4795084), wk = 0.0024631 k( 241) = ( 0.1722418 -0.2495337 -0.4932087), wk = 0.0024631 k( 242) = ( 0.1770262 -0.2564651 -0.5069089), wk = 0.0024631 k( 243) = ( 0.1818107 -0.2633966 -0.5206091), wk = 0.0024631 k( 244) = ( 0.1865952 -0.2703281 -0.5343094), wk = 0.0024631 k( 245) = ( 0.1913797 -0.2772596 -0.5480096), wk = 0.0024631 k( 246) = ( 0.1961642 -0.2841911 -0.5617099), wk = 0.0024631 k( 247) = ( 0.2009487 -0.2911226 -0.5754101), wk = 0.0024631 k( 248) = ( 0.2057332 -0.2980541 -0.5891104), wk = 0.0024631 k( 249) = ( 0.2105177 -0.3049856 -0.6028106), wk = 0.0024631 k( 250) = ( 0.2153022 -0.3119171 -0.6165108), wk = 0.0024631 k( 251) = ( 0.2200867 -0.3188486 -0.6302111), wk = 0.0024631 k( 252) = ( 0.2248712 -0.3257800 -0.6439113), wk = 0.0024631 k( 253) = ( 0.2296557 -0.3327115 -0.6576115), wk = 0.0024631 k( 254) = ( 0.2344402 -0.3396430 -0.6713118), wk = 0.0024631 k( 255) = ( 0.2392247 -0.3465745 -0.6850120), wk = 0.0024631 k( 256) = ( 0.2440092 -0.3535060 -0.6987123), wk = 0.0024631 k( 257) = ( 0.2487937 -0.3604375 -0.7124125), wk = 0.0024631 k( 258) = ( 0.2535781 -0.3673690 -0.7261128), wk = 0.0024631 k( 259) = ( 0.2583626 -0.3743005 -0.7398130), wk = 0.0024631 k( 260) = ( 0.2631471 -0.3812320 -0.7535133), wk = 0.0024631 k( 261) = ( 0.2679316 -0.3881635 -0.7672135), wk = 0.0024631 k( 262) = ( 0.2727161 -0.3950949 -0.7809137), wk = 0.0024631 k( 263) = ( 0.2775006 -0.4020264 -0.7946140), wk = 0.0024631 k( 264) = ( 0.2822851 -0.4089579 -0.8083142), wk = 0.0024631 k( 265) = ( 0.2870696 -0.4158894 -0.8220144), wk = 0.0024631 k( 266) = ( 0.2918541 -0.4228209 -0.8357147), wk = 0.0024631 k( 267) = ( 0.2966386 -0.4297524 -0.8494149), wk = 0.0024631 k( 268) = ( 0.3014231 -0.4366839 -0.8631152), wk = 0.0024631 k( 269) = ( 0.3062076 -0.4436154 -0.8768154), wk = 0.0024631 k( 270) = ( 0.3109921 -0.4505469 -0.8905157), wk = 0.0024631 k( 271) = ( 0.3157765 -0.4574784 -0.9042159), wk = 0.0024631 k( 272) = ( 0.3205611 -0.4644099 -0.9179161), wk = 0.0024631 k( 273) = ( 0.3253455 -0.4713413 -0.9316164), wk = 0.0024631 k( 274) = ( 0.3301300 -0.4782728 -0.9453166), wk = 0.0024631 k( 275) = ( 0.3349145 -0.4852043 -0.9590169), wk = 0.0024631 k( 276) = ( 0.3396990 -0.4921358 -0.9727171), wk = 0.0024631 k( 277) = ( 0.3444835 -0.4990673 -0.9864173), wk = 0.0024631 k( 278) = ( 0.6555165 -0.3432602 -0.8906328), wk = 0.0024631 k( 279) = ( 0.6508039 -0.3281369 -0.8906328), wk = 0.0024631 k( 280) = ( 0.6460913 -0.3130137 -0.8906328), wk = 0.0024631 k( 281) = ( 0.6413786 -0.2978904 -0.8906328), wk = 0.0024631 k( 282) = ( 0.6366660 -0.2827672 -0.8906328), wk = 0.0024631 k( 283) = ( 0.6319534 -0.2676439 -0.8906328), wk = 0.0024631 k( 284) = ( 0.6272408 -0.2525207 -0.8906328), wk = 0.0024631 k( 285) = ( 0.6225281 -0.2373974 -0.8906328), wk = 0.0024631 k( 286) = ( 0.6178155 -0.2222742 -0.8906328), wk = 0.0024631 k( 287) = ( 0.6131029 -0.2071509 -0.8906328), wk = 0.0024631 k( 288) = ( 0.6083903 -0.1920277 -0.8906328), wk = 0.0024631 k( 289) = ( 0.6036777 -0.1769044 -0.8906328), wk = 0.0024631 k( 290) = ( 0.5989650 -0.1617812 -0.8906328), wk = 0.0024631 k( 291) = ( 0.5942524 -0.1466579 -0.8906328), wk = 0.0024631 k( 292) = ( 0.5895398 -0.1315347 -0.8906328), wk = 0.0024631 k( 293) = ( 0.5848272 -0.1164114 -0.8906328), wk = 0.0024631 k( 294) = ( 0.5801146 -0.1012881 -0.8906328), wk = 0.0024631 k( 295) = ( 0.5754019 -0.0861649 -0.8906328), wk = 0.0024631 k( 296) = ( 0.5706893 -0.0710416 -0.8906328), wk = 0.0024631 k( 297) = ( 0.5659767 -0.0559184 -0.8906328), wk = 0.0024631 k( 298) = ( 0.5612641 -0.0407951 -0.8906328), wk = 0.0024631 k( 299) = ( 0.5565514 -0.0256719 -0.8906328), wk = 0.0024631 k( 300) = ( 0.5518388 -0.0105486 -0.8906328), wk = 0.0024631 k( 301) = ( 0.5471262 0.0045746 -0.8906328), wk = 0.0024631 k( 302) = ( 0.5424136 0.0196979 -0.8906328), wk = 0.0024631 k( 303) = ( 0.5377010 0.0348211 -0.8906328), wk = 0.0024631 k( 304) = ( 0.5329883 0.0499444 -0.8906328), wk = 0.0024631 k( 305) = ( 0.5282757 0.0650676 -0.8906328), wk = 0.0024631 k( 306) = ( 0.5235631 0.0801909 -0.8906328), wk = 0.0024631 k( 307) = ( 0.5188505 0.0953141 -0.8906328), wk = 0.0024631 k( 308) = ( 0.5141379 0.1104374 -0.8906328), wk = 0.0024631 k( 309) = ( 0.5094252 0.1255606 -0.8906328), wk = 0.0024631 k( 310) = ( 0.5047126 0.1406839 -0.8906328), wk = 0.0024631 k( 311) = ( 0.5000000 0.1558071 -0.8906328), wk = 0.0024631 k( 312) = ( 0.5000000 0.1558071 -0.8906328), wk = 0.0024631 k( 313) = ( 0.5129597 0.1598456 -0.8826508), wk = 0.0024631 k( 314) = ( 0.5259194 0.1638840 -0.8746687), wk = 0.0024631 k( 315) = ( 0.5388791 0.1679224 -0.8666867), wk = 0.0024631 k( 316) = ( 0.5518388 0.1719608 -0.8587046), wk = 0.0024631 k( 317) = ( 0.5647985 0.1759993 -0.8507226), wk = 0.0024631 k( 318) = ( 0.5777582 0.1800377 -0.8427406), wk = 0.0024631 k( 319) = ( 0.5907180 0.1840761 -0.8347585), wk = 0.0024631 k( 320) = ( 0.6036777 0.1881146 -0.8267765), wk = 0.0024631 k( 321) = ( 0.6166374 0.1921530 -0.8187944), wk = 0.0024631 k( 322) = ( 0.6295971 0.1961914 -0.8108124), wk = 0.0024631 k( 323) = ( 0.6425568 0.2002299 -0.8028303), wk = 0.0024631 k( 324) = ( 0.6555165 0.2042683 -0.7948483), wk = 0.0024631 k( 325) = ( 0.6555165 0.2042683 -0.7948483), wk = 0.0024631 k( 326) = ( 0.6527881 0.2034181 -0.7792232), wk = 0.0024631 k( 327) = ( 0.6500598 0.2025679 -0.7635980), wk = 0.0024631 k( 328) = ( 0.6473314 0.2017177 -0.7479729), wk = 0.0024631 k( 329) = ( 0.6446030 0.2008675 -0.7323477), wk = 0.0024631 k( 330) = ( 0.6418747 0.2000173 -0.7167226), wk = 0.0024631 k( 331) = ( 0.6391463 0.1991671 -0.7010975), wk = 0.0024631 k( 332) = ( 0.6364180 0.1983169 -0.6854723), wk = 0.0024631 k( 333) = ( 0.6336896 0.1974667 -0.6698472), wk = 0.0024631 k( 334) = ( 0.6309613 0.1966165 -0.6542221), wk = 0.0024631 k( 335) = ( 0.6282329 0.1957663 -0.6385969), wk = 0.0024631 k( 336) = ( 0.6255045 0.1949161 -0.6229718), wk = 0.0024631 k( 337) = ( 0.6227762 0.1940659 -0.6073466), wk = 0.0024631 k( 338) = ( 0.6200478 0.1932157 -0.5917215), wk = 0.0024631 k( 339) = ( 0.6173195 0.1923655 -0.5760964), wk = 0.0024631 k( 340) = ( 0.6145911 0.1915153 -0.5604712), wk = 0.0024631 k( 341) = ( 0.6118627 0.1906652 -0.5448461), wk = 0.0024631 k( 342) = ( 0.6091344 0.1898150 -0.5292210), wk = 0.0024631 k( 343) = ( 0.6064060 0.1889648 -0.5135958), wk = 0.0024631 k( 344) = ( 0.6036777 0.1881146 -0.4979707), wk = 0.0024631 k( 345) = ( 0.6009493 0.1872644 -0.4823456), wk = 0.0024631 k( 346) = ( 0.5982209 0.1864142 -0.4667204), wk = 0.0024631 k( 347) = ( 0.5954926 0.1855640 -0.4510953), wk = 0.0024631 k( 348) = ( 0.5927642 0.1847138 -0.4354701), wk = 0.0024631 k( 349) = ( 0.5900359 0.1838636 -0.4198450), wk = 0.0024631 k( 350) = ( 0.5873075 0.1830134 -0.4042199), wk = 0.0024631 k( 351) = ( 0.5845791 0.1821632 -0.3885947), wk = 0.0024631 k( 352) = ( 0.5818508 0.1813130 -0.3729696), wk = 0.0024631 k( 353) = ( 0.5791224 0.1804628 -0.3573445), wk = 0.0024631 k( 354) = ( 0.5763941 0.1796126 -0.3417193), wk = 0.0024631 k( 355) = ( 0.5736657 0.1787624 -0.3260942), wk = 0.0024631 k( 356) = ( 0.5709374 0.1779122 -0.3104691), wk = 0.0024631 k( 357) = ( 0.5682090 0.1770620 -0.2948439), wk = 0.0024631 k( 358) = ( 0.5654806 0.1762118 -0.2792188), wk = 0.0024631 k( 359) = ( 0.5627523 0.1753616 -0.2635936), wk = 0.0024631 k( 360) = ( 0.5600239 0.1745114 -0.2479685), wk = 0.0024631 k( 361) = ( 0.5572955 0.1736612 -0.2323434), wk = 0.0024631 k( 362) = ( 0.5545672 0.1728110 -0.2167182), wk = 0.0024631 k( 363) = ( 0.5518388 0.1719608 -0.2010931), wk = 0.0024631 k( 364) = ( 0.5491105 0.1711107 -0.1854679), wk = 0.0024631 k( 365) = ( 0.5463821 0.1702605 -0.1698428), wk = 0.0024631 k( 366) = ( 0.5436538 0.1694103 -0.1542177), wk = 0.0024631 k( 367) = ( 0.5409254 0.1685601 -0.1385925), wk = 0.0024631 k( 368) = ( 0.5381970 0.1677099 -0.1229674), wk = 0.0024631 k( 369) = ( 0.5354687 0.1668597 -0.1073423), wk = 0.0024631 k( 370) = ( 0.5327403 0.1660095 -0.0917171), wk = 0.0024631 k( 371) = ( 0.5300120 0.1651593 -0.0760920), wk = 0.0024631 k( 372) = ( 0.5272836 0.1643091 -0.0604668), wk = 0.0024631 k( 373) = ( 0.5245552 0.1634589 -0.0448417), wk = 0.0024631 k( 374) = ( 0.5218269 0.1626087 -0.0292166), wk = 0.0024631 k( 375) = ( 0.5190985 0.1617585 -0.0135914), wk = 0.0024631 k( 376) = ( 0.5163702 0.1609083 0.0020337), wk = 0.0024631 k( 377) = ( 0.5136418 0.1600581 0.0176588), wk = 0.0024631 k( 378) = ( 0.5109134 0.1592079 0.0332840), wk = 0.0024631 k( 379) = ( 0.5081851 0.1583577 0.0489091), wk = 0.0024631 k( 380) = ( 0.5054567 0.1575075 0.0645342), wk = 0.0024631 k( 381) = ( 0.5027284 0.1566573 0.0801594), wk = 0.0024631 k( 382) = ( 0.5000000 0.1558071 0.0957845), wk = 0.0024631 k( 383) = ( 0.5000000 -0.7243704 -0.4453164), wk = 0.0024631 k( 384) = ( 0.5135232 -0.7175962 -0.4411519), wk = 0.0024631 k( 385) = ( 0.5270463 -0.7108219 -0.4369873), wk = 0.0024631 k( 386) = ( 0.5405695 -0.7040477 -0.4328228), wk = 0.0024631 k( 387) = ( 0.5540927 -0.6972735 -0.4286582), wk = 0.0024631 k( 388) = ( 0.5676159 -0.6904993 -0.4244937), wk = 0.0024631 k( 389) = ( 0.5811390 -0.6837251 -0.4203291), wk = 0.0024631 k( 390) = ( 0.5946622 -0.6769508 -0.4161646), wk = 0.0024631 k( 391) = ( 0.6081854 -0.6701766 -0.4120001), wk = 0.0024631 k( 392) = ( 0.6217086 -0.6634024 -0.4078355), wk = 0.0024631 k( 393) = ( 0.6352317 -0.6566282 -0.4036710), wk = 0.0024631 k( 394) = ( 0.6487549 -0.6498539 -0.3995064), wk = 0.0024631 k( 395) = ( 0.6622781 -0.6430797 -0.3953419), wk = 0.0024631 k( 396) = ( 0.6758013 -0.6363055 -0.3911773), wk = 0.0024631 k( 397) = ( 0.6893244 -0.6295313 -0.3870128), wk = 0.0024631 k( 398) = ( 0.7028476 -0.6227570 -0.3828482), wk = 0.0024631 k( 399) = ( 0.7163708 -0.6159828 -0.3786837), wk = 0.0024631 k( 400) = ( 0.7298939 -0.6092086 -0.3745192), wk = 0.0024631 k( 401) = ( 0.7434171 -0.6024344 -0.3703546), wk = 0.0024631 k( 402) = ( 0.7569403 -0.5956601 -0.3661901), wk = 0.0024631 k( 403) = ( 0.7704635 -0.5888859 -0.3620255), wk = 0.0024631 k( 404) = ( 0.7839866 -0.5821117 -0.3578610), wk = 0.0024631 k( 405) = ( 0.7975098 -0.5753375 -0.3536964), wk = 0.0024631 k( 406) = ( 0.8110330 -0.5685633 -0.3495319), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0080645 0.0000000 -0.0000000), wk = 0.0024631 k( 3) = ( 0.0161290 0.0000000 -0.0000000), wk = 0.0024631 k( 4) = ( 0.0241936 0.0000000 0.0000000), wk = 0.0024631 k( 5) = ( 0.0322581 0.0000000 -0.0000000), wk = 0.0024631 k( 6) = ( 0.0403226 -0.0000000 0.0000000), wk = 0.0024631 k( 7) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0024631 k( 8) = ( 0.0564516 0.0000000 0.0000000), wk = 0.0024631 k( 9) = ( 0.0645161 0.0000000 0.0000000), wk = 0.0024631 k( 10) = ( 0.0725806 0.0000000 -0.0000000), wk = 0.0024631 k( 11) = ( 0.0806452 -0.0000000 0.0000000), wk = 0.0024631 k( 12) = ( 0.0887097 0.0000000 0.0000000), wk = 0.0024631 k( 13) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0024631 k( 14) = ( 0.1048387 0.0000000 0.0000000), wk = 0.0024631 k( 15) = ( 0.1129032 0.0000000 -0.0000000), wk = 0.0024631 k( 16) = ( 0.1209677 0.0000000 0.0000000), wk = 0.0024631 k( 17) = ( 0.1290323 0.0000000 0.0000000), wk = 0.0024631 k( 18) = ( 0.1370968 0.0000000 0.0000000), wk = 0.0024631 k( 19) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0024631 k( 20) = ( 0.1532258 0.0000000 0.0000000), wk = 0.0024631 k( 21) = ( 0.1612903 -0.0000000 0.0000000), wk = 0.0024631 k( 22) = ( 0.1693548 0.0000000 -0.0000000), wk = 0.0024631 k( 23) = ( 0.1774194 0.0000000 0.0000000), wk = 0.0024631 k( 24) = ( 0.1854839 0.0000000 0.0000000), wk = 0.0024631 k( 25) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0024631 k( 26) = ( 0.2016129 -0.0000000 0.0000000), wk = 0.0024631 k( 27) = ( 0.2096774 0.0000000 0.0000000), wk = 0.0024631 k( 28) = ( 0.2177419 0.0000000 -0.0000000), wk = 0.0024631 k( 29) = ( 0.2258064 0.0000000 0.0000000), wk = 0.0024631 k( 30) = ( 0.2338710 0.0000000 0.0000000), wk = 0.0024631 k( 31) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0024631 k( 32) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024631 k( 33) = ( 0.2580645 0.0000000 0.0000000), wk = 0.0024631 k( 34) = ( 0.2661290 0.0000000 -0.0000000), wk = 0.0024631 k( 35) = ( 0.2741936 0.0000000 0.0000000), wk = 0.0024631 k( 36) = ( 0.2822581 0.0000000 -0.0000000), wk = 0.0024631 k( 37) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0024631 k( 38) = ( 0.2983871 0.0000000 -0.0000000), wk = 0.0024631 k( 39) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0024631 k( 40) = ( 0.3145161 0.0000000 -0.0000000), wk = 0.0024631 k( 41) = ( 0.3225807 0.0000000 -0.0000000), wk = 0.0024631 k( 42) = ( 0.3306452 0.0000000 0.0000000), wk = 0.0024631 k( 43) = ( 0.3387097 0.0000000 -0.0000000), wk = 0.0024631 k( 44) = ( 0.3467742 0.0000000 0.0000000), wk = 0.0024631 k( 45) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0024631 k( 46) = ( 0.3629032 0.0000000 -0.0000000), wk = 0.0024631 k( 47) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0024631 k( 48) = ( 0.3790323 0.0000000 -0.0000000), wk = 0.0024631 k( 49) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0024631 k( 50) = ( 0.3951613 -0.0000000 -0.0000000), wk = 0.0024631 k( 51) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0024631 k( 52) = ( 0.4112903 0.0000000 0.0000000), wk = 0.0024631 k( 53) = ( 0.4193548 0.0000000 0.0000000), wk = 0.0024631 k( 54) = ( 0.4274193 0.0000000 0.0000000), wk = 0.0024631 k( 55) = ( 0.4354839 -0.0000000 0.0000000), wk = 0.0024631 k( 56) = ( 0.4435484 0.0000000 0.0000000), wk = 0.0024631 k( 57) = ( 0.4516129 0.0000000 0.0000000), wk = 0.0024631 k( 58) = ( 0.4596774 0.0000000 0.0000000), wk = 0.0024631 k( 59) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0024631 k( 60) = ( 0.4758064 0.0000000 0.0000000), wk = 0.0024631 k( 61) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0024631 k( 62) = ( 0.4919355 0.0000000 -0.0000000), wk = 0.0024631 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024631 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024631 k( 65) = ( 0.5000000 0.0047242 -0.0047242), wk = 0.0024631 k( 66) = ( 0.5000000 0.0094484 -0.0094483), wk = 0.0024631 k( 67) = ( 0.5000000 0.0141725 -0.0141725), wk = 0.0024631 k( 68) = ( 0.5000000 0.0188967 -0.0188967), wk = 0.0024631 k( 69) = ( 0.5000000 0.0236209 -0.0236209), wk = 0.0024631 k( 70) = ( 0.5000000 0.0283451 -0.0283451), wk = 0.0024631 k( 71) = ( 0.5000000 0.0330692 -0.0330692), wk = 0.0024631 k( 72) = ( 0.5000000 0.0377934 -0.0377934), wk = 0.0024631 k( 73) = ( 0.5000000 0.0425176 -0.0425176), wk = 0.0024631 k( 74) = ( 0.5000000 0.0472418 -0.0472418), wk = 0.0024631 k( 75) = ( 0.5000000 0.0519659 -0.0519659), wk = 0.0024631 k( 76) = ( 0.5000000 0.0566901 -0.0566901), wk = 0.0024631 k( 77) = ( 0.5000000 0.0614143 -0.0614143), wk = 0.0024631 k( 78) = ( 0.5000000 0.0661385 -0.0661385), wk = 0.0024631 k( 79) = ( 0.5000000 0.0708626 -0.0708626), wk = 0.0024631 k( 80) = ( 0.5000000 0.0755868 -0.0755868), wk = 0.0024631 k( 81) = ( 0.5000000 0.0803110 -0.0803110), wk = 0.0024631 k( 82) = ( 0.5000000 0.0850352 -0.0850352), wk = 0.0024631 k( 83) = ( 0.5000000 0.0897593 -0.0897593), wk = 0.0024631 k( 84) = ( 0.5000000 0.0944835 -0.0944835), wk = 0.0024631 k( 85) = ( 0.5000000 0.0992077 -0.0992077), wk = 0.0024631 k( 86) = ( 0.5000000 0.1039319 -0.1039319), wk = 0.0024631 k( 87) = ( 0.5000000 0.1086560 -0.1086560), wk = 0.0024631 k( 88) = ( 0.5000000 0.1133802 -0.1133802), wk = 0.0024631 k( 89) = ( 0.5000000 0.1181044 -0.1181044), wk = 0.0024631 k( 90) = ( 0.5000000 0.1228286 -0.1228286), wk = 0.0024631 k( 91) = ( 0.5000000 0.1275527 -0.1275527), wk = 0.0024631 k( 92) = ( 0.5000000 0.1322769 -0.1322769), wk = 0.0024631 k( 93) = ( 0.5000000 0.1370011 -0.1370011), wk = 0.0024631 k( 94) = ( 0.5000000 0.1417253 -0.1417253), wk = 0.0024631 k( 95) = ( 0.5000000 0.1464494 -0.1464494), wk = 0.0024631 k( 96) = ( 0.5000000 0.1511736 -0.1511736), wk = 0.0024631 k( 97) = ( 0.5000000 0.1558978 -0.1558978), wk = 0.0024631 k( 98) = ( 0.5000000 0.1606220 -0.1606220), wk = 0.0024631 k( 99) = ( 0.5000000 0.1653462 -0.1653462), wk = 0.0024631 k( 100) = ( 0.5000000 0.1700703 -0.1700703), wk = 0.0024631 k( 101) = ( 0.5000000 0.1747945 -0.1747945), wk = 0.0024631 k( 102) = ( 0.5000000 0.1795187 -0.1795187), wk = 0.0024631 k( 103) = ( 0.5000000 0.1842429 -0.1842428), wk = 0.0024631 k( 104) = ( 0.5000000 0.1889670 -0.1889670), wk = 0.0024631 k( 105) = ( 0.8110330 0.5000000 0.1889670), wk = 0.0024631 k( 106) = ( 0.8062478 0.5000000 0.1937522), wk = 0.0024631 k( 107) = ( 0.8014627 0.5000000 0.1985373), wk = 0.0024631 k( 108) = ( 0.7966776 0.5000000 0.2033224), wk = 0.0024631 k( 109) = ( 0.7918925 0.5000000 0.2081075), wk = 0.0024631 k( 110) = ( 0.7871074 0.5000000 0.2128926), wk = 0.0024631 k( 111) = ( 0.7823222 0.5000000 0.2176778), wk = 0.0024631 k( 112) = ( 0.7775371 0.5000000 0.2224629), wk = 0.0024631 k( 113) = ( 0.7727520 0.5000000 0.2272480), wk = 0.0024631 k( 114) = ( 0.7679669 0.5000000 0.2320331), wk = 0.0024631 k( 115) = ( 0.7631817 0.5000000 0.2368183), wk = 0.0024631 k( 116) = ( 0.7583966 0.5000000 0.2416034), wk = 0.0024631 k( 117) = ( 0.7536115 0.5000000 0.2463885), wk = 0.0024631 k( 118) = ( 0.7488264 0.5000000 0.2511736), wk = 0.0024631 k( 119) = ( 0.7440413 0.5000000 0.2559587), wk = 0.0024631 k( 120) = ( 0.7392561 0.5000000 0.2607439), wk = 0.0024631 k( 121) = ( 0.7344710 0.5000000 0.2655290), wk = 0.0024631 k( 122) = ( 0.7296859 0.5000000 0.2703141), wk = 0.0024631 k( 123) = ( 0.7249008 0.5000000 0.2750992), wk = 0.0024631 k( 124) = ( 0.7201156 0.5000000 0.2798844), wk = 0.0024631 k( 125) = ( 0.7153305 0.5000000 0.2846695), wk = 0.0024631 k( 126) = ( 0.7105454 0.5000000 0.2894546), wk = 0.0024631 k( 127) = ( 0.7057603 0.5000000 0.2942397), wk = 0.0024631 k( 128) = ( 0.7009751 0.5000000 0.2990249), wk = 0.0024631 k( 129) = ( 0.6961900 0.5000000 0.3038100), wk = 0.0024631 k( 130) = ( 0.6914049 0.5000000 0.3085951), wk = 0.0024631 k( 131) = ( 0.6866198 0.5000000 0.3133802), wk = 0.0024631 k( 132) = ( 0.6818347 0.5000000 0.3181653), wk = 0.0024631 k( 133) = ( 0.6770495 0.5000000 0.3229505), wk = 0.0024631 k( 134) = ( 0.6722644 0.5000000 0.3277356), wk = 0.0024631 k( 135) = ( 0.6674793 0.5000000 0.3325207), wk = 0.0024631 k( 136) = ( 0.6626942 0.5000000 0.3373058), wk = 0.0024631 k( 137) = ( 0.6579090 0.5000000 0.3420909), wk = 0.0024631 k( 138) = ( 0.6531239 0.5000000 0.3468761), wk = 0.0024631 k( 139) = ( 0.6483388 0.5000000 0.3516612), wk = 0.0024631 k( 140) = ( 0.6435537 0.5000000 0.3564463), wk = 0.0024631 k( 141) = ( 0.6387686 0.5000000 0.3612314), wk = 0.0024631 k( 142) = ( 0.6339834 0.5000000 0.3660166), wk = 0.0024631 k( 143) = ( 0.6291983 0.5000000 0.3708017), wk = 0.0024631 k( 144) = ( 0.6244132 0.5000000 0.3755868), wk = 0.0024631 k( 145) = ( 0.6196281 0.5000000 0.3803719), wk = 0.0024631 k( 146) = ( 0.6148429 0.5000000 0.3851570), wk = 0.0024631 k( 147) = ( 0.6100578 0.5000000 0.3899422), wk = 0.0024631 k( 148) = ( 0.6052727 0.5000000 0.3947273), wk = 0.0024631 k( 149) = ( 0.6004876 0.5000000 0.3995124), wk = 0.0024631 k( 150) = ( 0.5957024 0.5000000 0.4042976), wk = 0.0024631 k( 151) = ( 0.5909173 0.5000000 0.4090827), wk = 0.0024631 k( 152) = ( 0.5861322 0.5000000 0.4138678), wk = 0.0024631 k( 153) = ( 0.5813471 0.5000000 0.4186529), wk = 0.0024631 k( 154) = ( 0.5765620 0.5000000 0.4234380), wk = 0.0024631 k( 155) = ( 0.5717768 0.5000000 0.4282232), wk = 0.0024631 k( 156) = ( 0.5669917 0.5000000 0.4330083), wk = 0.0024631 k( 157) = ( 0.5622066 0.5000000 0.4377934), wk = 0.0024631 k( 158) = ( 0.5574215 0.5000000 0.4425785), wk = 0.0024631 k( 159) = ( 0.5526363 0.5000000 0.4473636), wk = 0.0024631 k( 160) = ( 0.5478512 0.5000000 0.4521488), wk = 0.0024631 k( 161) = ( 0.5430661 0.5000000 0.4569339), wk = 0.0024631 k( 162) = ( 0.5382810 0.5000000 0.4617190), wk = 0.0024631 k( 163) = ( 0.5334959 0.5000000 0.4665041), wk = 0.0024631 k( 164) = ( 0.5287107 0.5000000 0.4712893), wk = 0.0024631 k( 165) = ( 0.5239256 0.5000000 0.4760744), wk = 0.0024631 k( 166) = ( 0.5191405 0.5000000 0.4808595), wk = 0.0024631 k( 167) = ( 0.5143554 0.5000000 0.4856446), wk = 0.0024631 k( 168) = ( 0.5095703 0.5000000 0.4904297), wk = 0.0024631 k( 169) = ( 0.5047851 0.5000000 0.4952149), wk = 0.0024631 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 172) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0024631 k( 173) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0024631 k( 174) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0024631 k( 175) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0024631 k( 176) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0024631 k( 177) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0024631 k( 178) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0024631 k( 179) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0024631 k( 180) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0024631 k( 181) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0024631 k( 182) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024631 k( 183) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0024631 k( 184) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0024631 k( 185) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0024631 k( 186) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0024631 k( 187) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0024631 k( 188) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0024631 k( 189) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0024631 k( 190) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0024631 k( 191) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0024631 k( 192) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0024631 k( 193) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024631 k( 194) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0024631 k( 195) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0024631 k( 196) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0024631 k( 197) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0024631 k( 198) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0024631 k( 199) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0024631 k( 200) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0024631 k( 201) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0024631 k( 202) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0024631 k( 203) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0024631 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 206) = ( 0.0047845 0.0000000 -0.0047845), wk = 0.0024631 k( 207) = ( 0.0095690 0.0000000 -0.0095690), wk = 0.0024631 k( 208) = ( 0.0143535 0.0000000 -0.0143535), wk = 0.0024631 k( 209) = ( 0.0191380 0.0000000 -0.0191380), wk = 0.0024631 k( 210) = ( 0.0239225 0.0000000 -0.0239225), wk = 0.0024631 k( 211) = ( 0.0287070 0.0000000 -0.0287070), wk = 0.0024631 k( 212) = ( 0.0334914 0.0000000 -0.0334914), wk = 0.0024631 k( 213) = ( 0.0382760 0.0000000 -0.0382760), wk = 0.0024631 k( 214) = ( 0.0430604 0.0000000 -0.0430604), wk = 0.0024631 k( 215) = ( 0.0478449 -0.0000000 -0.0478449), wk = 0.0024631 k( 216) = ( 0.0526294 0.0000000 -0.0526294), wk = 0.0024631 k( 217) = ( 0.0574139 0.0000000 -0.0574139), wk = 0.0024631 k( 218) = ( 0.0621984 0.0000000 -0.0621984), wk = 0.0024631 k( 219) = ( 0.0669829 0.0000000 -0.0669829), wk = 0.0024631 k( 220) = ( 0.0717674 0.0000000 -0.0717674), wk = 0.0024631 k( 221) = ( 0.0765519 0.0000000 -0.0765519), wk = 0.0024631 k( 222) = ( 0.0813364 0.0000000 -0.0813364), wk = 0.0024631 k( 223) = ( 0.0861209 0.0000000 -0.0861209), wk = 0.0024631 k( 224) = ( 0.0909054 0.0000000 -0.0909054), wk = 0.0024631 k( 225) = ( 0.0956899 -0.0000000 -0.0956899), wk = 0.0024631 k( 226) = ( 0.1004744 0.0000000 -0.1004744), wk = 0.0024631 k( 227) = ( 0.1052589 0.0000000 -0.1052589), wk = 0.0024631 k( 228) = ( 0.1100433 0.0000000 -0.1100433), wk = 0.0024631 k( 229) = ( 0.1148278 0.0000000 -0.1148278), wk = 0.0024631 k( 230) = ( 0.1196123 0.0000000 -0.1196123), wk = 0.0024631 k( 231) = ( 0.1243968 0.0000000 -0.1243968), wk = 0.0024631 k( 232) = ( 0.1291813 0.0000000 -0.1291813), wk = 0.0024631 k( 233) = ( 0.1339658 0.0000000 -0.1339658), wk = 0.0024631 k( 234) = ( 0.1387503 0.0000000 -0.1387503), wk = 0.0024631 k( 235) = ( 0.1435348 0.0000000 -0.1435348), wk = 0.0024631 k( 236) = ( 0.1483193 0.0000000 -0.1483193), wk = 0.0024631 k( 237) = ( 0.1531038 0.0000000 -0.1531038), wk = 0.0024631 k( 238) = ( 0.1578883 -0.0000000 -0.1578883), wk = 0.0024631 k( 239) = ( 0.1626728 0.0000000 -0.1626728), wk = 0.0024631 k( 240) = ( 0.1674573 0.0000000 -0.1674573), wk = 0.0024631 k( 241) = ( 0.1722418 0.0000000 -0.1722418), wk = 0.0024631 k( 242) = ( 0.1770262 0.0000000 -0.1770262), wk = 0.0024631 k( 243) = ( 0.1818107 0.0000000 -0.1818107), wk = 0.0024631 k( 244) = ( 0.1865952 0.0000000 -0.1865952), wk = 0.0024631 k( 245) = ( 0.1913797 0.0000000 -0.1913797), wk = 0.0024631 k( 246) = ( 0.1961642 0.0000000 -0.1961642), wk = 0.0024631 k( 247) = ( 0.2009487 0.0000000 -0.2009487), wk = 0.0024631 k( 248) = ( 0.2057332 0.0000000 -0.2057332), wk = 0.0024631 k( 249) = ( 0.2105177 0.0000000 -0.2105177), wk = 0.0024631 k( 250) = ( 0.2153022 0.0000000 -0.2153022), wk = 0.0024631 k( 251) = ( 0.2200867 0.0000000 -0.2200867), wk = 0.0024631 k( 252) = ( 0.2248712 -0.0000000 -0.2248712), wk = 0.0024631 k( 253) = ( 0.2296557 -0.0000000 -0.2296557), wk = 0.0024631 k( 254) = ( 0.2344402 0.0000000 -0.2344402), wk = 0.0024631 k( 255) = ( 0.2392247 0.0000000 -0.2392247), wk = 0.0024631 k( 256) = ( 0.2440092 0.0000000 -0.2440091), wk = 0.0024631 k( 257) = ( 0.2487937 0.0000000 -0.2487936), wk = 0.0024631 k( 258) = ( 0.2535781 0.0000000 -0.2535781), wk = 0.0024631 k( 259) = ( 0.2583626 0.0000000 -0.2583626), wk = 0.0024631 k( 260) = ( 0.2631471 -0.0000000 -0.2631471), wk = 0.0024631 k( 261) = ( 0.2679316 0.0000000 -0.2679316), wk = 0.0024631 k( 262) = ( 0.2727161 0.0000000 -0.2727161), wk = 0.0024631 k( 263) = ( 0.2775006 0.0000000 -0.2775006), wk = 0.0024631 k( 264) = ( 0.2822851 0.0000000 -0.2822851), wk = 0.0024631 k( 265) = ( 0.2870696 0.0000000 -0.2870696), wk = 0.0024631 k( 266) = ( 0.2918541 0.0000000 -0.2918541), wk = 0.0024631 k( 267) = ( 0.2966386 0.0000000 -0.2966386), wk = 0.0024631 k( 268) = ( 0.3014231 0.0000000 -0.3014231), wk = 0.0024631 k( 269) = ( 0.3062076 0.0000000 -0.3062076), wk = 0.0024631 k( 270) = ( 0.3109921 0.0000000 -0.3109921), wk = 0.0024631 k( 271) = ( 0.3157765 0.0000000 -0.3157765), wk = 0.0024631 k( 272) = ( 0.3205611 0.0000000 -0.3205610), wk = 0.0024631 k( 273) = ( 0.3253455 0.0000000 -0.3253455), wk = 0.0024631 k( 274) = ( 0.3301300 0.0000000 -0.3301300), wk = 0.0024631 k( 275) = ( 0.3349145 0.0000000 -0.3349145), wk = 0.0024631 k( 276) = ( 0.3396990 0.0000000 -0.3396990), wk = 0.0024631 k( 277) = ( 0.3444835 0.0000000 -0.3444835), wk = 0.0024631 k( 278) = ( 0.6555165 0.3444835 0.0000000), wk = 0.0024631 k( 279) = ( 0.6508039 0.3491961 0.0000000), wk = 0.0024631 k( 280) = ( 0.6460913 0.3539087 0.0000000), wk = 0.0024631 k( 281) = ( 0.6413786 0.3586214 0.0000000), wk = 0.0024631 k( 282) = ( 0.6366660 0.3633340 0.0000000), wk = 0.0024631 k( 283) = ( 0.6319534 0.3680466 0.0000000), wk = 0.0024631 k( 284) = ( 0.6272408 0.3727592 0.0000000), wk = 0.0024631 k( 285) = ( 0.6225281 0.3774719 0.0000000), wk = 0.0024631 k( 286) = ( 0.6178155 0.3821845 0.0000000), wk = 0.0024631 k( 287) = ( 0.6131029 0.3868971 0.0000000), wk = 0.0024631 k( 288) = ( 0.6083903 0.3916097 0.0000000), wk = 0.0024631 k( 289) = ( 0.6036777 0.3963223 0.0000000), wk = 0.0024631 k( 290) = ( 0.5989650 0.4010350 0.0000000), wk = 0.0024631 k( 291) = ( 0.5942524 0.4057476 0.0000000), wk = 0.0024631 k( 292) = ( 0.5895398 0.4104602 0.0000000), wk = 0.0024631 k( 293) = ( 0.5848272 0.4151728 0.0000000), wk = 0.0024631 k( 294) = ( 0.5801146 0.4198854 0.0000000), wk = 0.0024631 k( 295) = ( 0.5754019 0.4245981 0.0000000), wk = 0.0024631 k( 296) = ( 0.5706893 0.4293107 0.0000000), wk = 0.0024631 k( 297) = ( 0.5659767 0.4340233 0.0000000), wk = 0.0024631 k( 298) = ( 0.5612641 0.4387359 0.0000000), wk = 0.0024631 k( 299) = ( 0.5565514 0.4434485 -0.0000000), wk = 0.0024631 k( 300) = ( 0.5518388 0.4481612 0.0000000), wk = 0.0024631 k( 301) = ( 0.5471262 0.4528738 0.0000000), wk = 0.0024631 k( 302) = ( 0.5424136 0.4575864 0.0000000), wk = 0.0024631 k( 303) = ( 0.5377010 0.4622990 0.0000000), wk = 0.0024631 k( 304) = ( 0.5329883 0.4670117 0.0000000), wk = 0.0024631 k( 305) = ( 0.5282757 0.4717243 0.0000000), wk = 0.0024631 k( 306) = ( 0.5235631 0.4764369 0.0000000), wk = 0.0024631 k( 307) = ( 0.5188505 0.4811495 0.0000000), wk = 0.0024631 k( 308) = ( 0.5141379 0.4858621 -0.0000000), wk = 0.0024631 k( 309) = ( 0.5094252 0.4905748 0.0000000), wk = 0.0024631 k( 310) = ( 0.5047126 0.4952874 0.0000000), wk = 0.0024631 k( 311) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 312) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 313) = ( 0.5129597 0.5129597 0.0157473), wk = 0.0024631 k( 314) = ( 0.5259194 0.5259194 0.0314945), wk = 0.0024631 k( 315) = ( 0.5388791 0.5388791 0.0472418), wk = 0.0024631 k( 316) = ( 0.5518388 0.5518388 0.0629890), wk = 0.0024631 k( 317) = ( 0.5647985 0.5647985 0.0787363), wk = 0.0024631 k( 318) = ( 0.5777582 0.5777582 0.0944835), wk = 0.0024631 k( 319) = ( 0.5907180 0.5907180 0.1102308), wk = 0.0024631 k( 320) = ( 0.6036777 0.6036777 0.1259780), wk = 0.0024631 k( 321) = ( 0.6166374 0.6166374 0.1417253), wk = 0.0024631 k( 322) = ( 0.6295971 0.6295971 0.1574725), wk = 0.0024631 k( 323) = ( 0.6425568 0.6425568 0.1732198), wk = 0.0024631 k( 324) = ( 0.6555165 0.6555165 0.1889670), wk = 0.0024631 k( 325) = ( 0.6555165 0.6555165 0.1889670), wk = 0.0024631 k( 326) = ( 0.6527881 0.6527881 0.1944237), wk = 0.0024631 k( 327) = ( 0.6500598 0.6500598 0.1998805), wk = 0.0024631 k( 328) = ( 0.6473314 0.6473314 0.2053372), wk = 0.0024631 k( 329) = ( 0.6446030 0.6446030 0.2107939), wk = 0.0024631 k( 330) = ( 0.6418747 0.6418747 0.2162506), wk = 0.0024631 k( 331) = ( 0.6391463 0.6391463 0.2217073), wk = 0.0024631 k( 332) = ( 0.6364180 0.6364180 0.2271641), wk = 0.0024631 k( 333) = ( 0.6336896 0.6336896 0.2326208), wk = 0.0024631 k( 334) = ( 0.6309613 0.6309613 0.2380775), wk = 0.0024631 k( 335) = ( 0.6282329 0.6282329 0.2435342), wk = 0.0024631 k( 336) = ( 0.6255045 0.6255045 0.2489909), wk = 0.0024631 k( 337) = ( 0.6227762 0.6227762 0.2544477), wk = 0.0024631 k( 338) = ( 0.6200478 0.6200478 0.2599044), wk = 0.0024631 k( 339) = ( 0.6173195 0.6173195 0.2653611), wk = 0.0024631 k( 340) = ( 0.6145911 0.6145911 0.2708178), wk = 0.0024631 k( 341) = ( 0.6118627 0.6118627 0.2762745), wk = 0.0024631 k( 342) = ( 0.6091344 0.6091344 0.2817312), wk = 0.0024631 k( 343) = ( 0.6064060 0.6064060 0.2871880), wk = 0.0024631 k( 344) = ( 0.6036777 0.6036777 0.2926447), wk = 0.0024631 k( 345) = ( 0.6009493 0.6009493 0.2981014), wk = 0.0024631 k( 346) = ( 0.5982209 0.5982209 0.3035581), wk = 0.0024631 k( 347) = ( 0.5954926 0.5954926 0.3090148), wk = 0.0024631 k( 348) = ( 0.5927642 0.5927642 0.3144716), wk = 0.0024631 k( 349) = ( 0.5900359 0.5900359 0.3199283), wk = 0.0024631 k( 350) = ( 0.5873075 0.5873075 0.3253850), wk = 0.0024631 k( 351) = ( 0.5845791 0.5845791 0.3308417), wk = 0.0024631 k( 352) = ( 0.5818508 0.5818508 0.3362984), wk = 0.0024631 k( 353) = ( 0.5791224 0.5791224 0.3417551), wk = 0.0024631 k( 354) = ( 0.5763941 0.5763941 0.3472119), wk = 0.0024631 k( 355) = ( 0.5736657 0.5736657 0.3526686), wk = 0.0024631 k( 356) = ( 0.5709374 0.5709373 0.3581253), wk = 0.0024631 k( 357) = ( 0.5682090 0.5682090 0.3635820), wk = 0.0024631 k( 358) = ( 0.5654806 0.5654806 0.3690387), wk = 0.0024631 k( 359) = ( 0.5627523 0.5627523 0.3744955), wk = 0.0024631 k( 360) = ( 0.5600239 0.5600239 0.3799522), wk = 0.0024631 k( 361) = ( 0.5572955 0.5572955 0.3854089), wk = 0.0024631 k( 362) = ( 0.5545672 0.5545672 0.3908656), wk = 0.0024631 k( 363) = ( 0.5518388 0.5518388 0.3963223), wk = 0.0024631 k( 364) = ( 0.5491105 0.5491105 0.4017791), wk = 0.0024631 k( 365) = ( 0.5463821 0.5463821 0.4072358), wk = 0.0024631 k( 366) = ( 0.5436538 0.5436538 0.4126925), wk = 0.0024631 k( 367) = ( 0.5409254 0.5409254 0.4181492), wk = 0.0024631 k( 368) = ( 0.5381970 0.5381970 0.4236059), wk = 0.0024631 k( 369) = ( 0.5354687 0.5354687 0.4290626), wk = 0.0024631 k( 370) = ( 0.5327403 0.5327403 0.4345194), wk = 0.0024631 k( 371) = ( 0.5300120 0.5300120 0.4399761), wk = 0.0024631 k( 372) = ( 0.5272836 0.5272836 0.4454328), wk = 0.0024631 k( 373) = ( 0.5245552 0.5245552 0.4508895), wk = 0.0024631 k( 374) = ( 0.5218269 0.5218269 0.4563463), wk = 0.0024631 k( 375) = ( 0.5190985 0.5190985 0.4618030), wk = 0.0024631 k( 376) = ( 0.5163702 0.5163702 0.4672597), wk = 0.0024631 k( 377) = ( 0.5136418 0.5136418 0.4727164), wk = 0.0024631 k( 378) = ( 0.5109134 0.5109134 0.4781731), wk = 0.0024631 k( 379) = ( 0.5081851 0.5081851 0.4836298), wk = 0.0024631 k( 380) = ( 0.5054567 0.5054567 0.4890866), wk = 0.0024631 k( 381) = ( 0.5027284 0.5027284 0.4945433), wk = 0.0024631 k( 382) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024631 k( 384) = ( 0.5135232 0.0149775 0.0149775), wk = 0.0024631 k( 385) = ( 0.5270463 0.0299551 0.0299551), wk = 0.0024631 k( 386) = ( 0.5405695 0.0449326 0.0449326), wk = 0.0024631 k( 387) = ( 0.5540927 0.0599102 0.0599102), wk = 0.0024631 k( 388) = ( 0.5676159 0.0748877 0.0748877), wk = 0.0024631 k( 389) = ( 0.5811390 0.0898653 0.0898653), wk = 0.0024631 k( 390) = ( 0.5946622 0.1048428 0.1048428), wk = 0.0024631 k( 391) = ( 0.6081854 0.1198204 0.1198204), wk = 0.0024631 k( 392) = ( 0.6217086 0.1347979 0.1347979), wk = 0.0024631 k( 393) = ( 0.6352317 0.1497754 0.1497754), wk = 0.0024631 k( 394) = ( 0.6487549 0.1647530 0.1647530), wk = 0.0024631 k( 395) = ( 0.6622781 0.1797305 0.1797305), wk = 0.0024631 k( 396) = ( 0.6758013 0.1947081 0.1947081), wk = 0.0024631 k( 397) = ( 0.6893244 0.2096856 0.2096856), wk = 0.0024631 k( 398) = ( 0.7028476 0.2246632 0.2246632), wk = 0.0024631 k( 399) = ( 0.7163708 0.2396407 0.2396407), wk = 0.0024631 k( 400) = ( 0.7298939 0.2546183 0.2546182), wk = 0.0024631 k( 401) = ( 0.7434171 0.2695958 0.2695958), wk = 0.0024631 k( 402) = ( 0.7569403 0.2845733 0.2845733), wk = 0.0024631 k( 403) = ( 0.7704635 0.2995509 0.2995509), wk = 0.0024631 k( 404) = ( 0.7839866 0.3145284 0.3145284), wk = 0.0024631 k( 405) = ( 0.7975098 0.3295060 0.3295060), wk = 0.0024631 k( 406) = ( 0.8110330 0.3444835 0.3444835), wk = 0.0024631 Dense grid: 35861 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 264, 40) NL pseudopotentials 0.15 Mb ( 132, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 996) G-vector shells 0.01 Mb ( 830) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 264, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiRhO2.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.2 secs Computing kpt #: 18 total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.0 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.9 secs Computing kpt #: 22 total cpu time spent up to now is 12.3 secs Computing kpt #: 23 total cpu time spent up to now is 12.7 secs Computing kpt #: 24 total cpu time spent up to now is 13.1 secs Computing kpt #: 25 total cpu time spent up to now is 13.6 secs Computing kpt #: 26 total cpu time spent up to now is 14.0 secs Computing kpt #: 27 total cpu time spent up to now is 14.4 secs Computing kpt #: 28 total cpu time spent up to now is 14.9 secs Computing kpt #: 29 total cpu time spent up to now is 15.3 secs Computing kpt #: 30 total cpu time spent up to now is 15.7 secs Computing kpt #: 31 total cpu time spent up to now is 16.2 secs Computing kpt #: 32 total cpu time spent up to now is 16.6 secs Computing kpt #: 33 total cpu time spent up to now is 17.0 secs Computing kpt #: 34 total cpu time spent up to now is 17.4 secs Computing kpt #: 35 total cpu time spent up to now is 17.9 secs Computing kpt #: 36 total cpu time spent up to now is 18.3 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 20.1 secs Computing kpt #: 41 total cpu time spent up to now is 20.5 secs Computing kpt #: 42 total cpu time spent up to now is 21.0 secs Computing kpt #: 43 total cpu time spent up to now is 21.4 secs Computing kpt #: 44 total cpu time spent up to now is 21.9 secs Computing kpt #: 45 total cpu time spent up to now is 22.3 secs Computing kpt #: 46 total cpu time spent up to now is 22.8 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 23.7 secs Computing kpt #: 49 total cpu time spent up to now is 24.2 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 26.1 secs Computing kpt #: 54 total cpu time spent up to now is 26.5 secs Computing kpt #: 55 total cpu time spent up to now is 27.0 secs Computing kpt #: 56 total cpu time spent up to now is 27.5 secs Computing kpt #: 57 total cpu time spent up to now is 27.9 secs Computing kpt #: 58 total cpu time spent up to now is 28.4 secs Computing kpt #: 59 total cpu time spent up to now is 28.8 secs Computing kpt #: 60 total cpu time spent up to now is 29.3 secs Computing kpt #: 61 total cpu time spent up to now is 29.7 secs Computing kpt #: 62 total cpu time spent up to now is 30.1 secs Computing kpt #: 63 total cpu time spent up to now is 30.6 secs Computing kpt #: 64 total cpu time spent up to now is 31.0 secs Computing kpt #: 65 total cpu time spent up to now is 31.5 secs Computing kpt #: 66 total cpu time spent up to now is 31.9 secs Computing kpt #: 67 total cpu time spent up to now is 32.3 secs Computing kpt #: 68 total cpu time spent up to now is 32.8 secs Computing kpt #: 69 total cpu time spent up to now is 33.2 secs Computing kpt #: 70 total cpu time spent up to now is 33.7 secs Computing kpt #: 71 total cpu time spent up to now is 34.1 secs Computing kpt #: 72 total cpu time spent up to now is 34.6 secs Computing kpt #: 73 total cpu time spent up to now is 35.0 secs Computing kpt #: 74 total cpu time spent up to now is 35.5 secs Computing kpt #: 75 total cpu time spent up to now is 35.9 secs Computing kpt #: 76 total cpu time spent up to now is 36.4 secs Computing kpt #: 77 total cpu time spent up to now is 36.9 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.8 secs Computing kpt #: 80 total cpu time spent up to now is 38.2 secs Computing kpt #: 81 total cpu time spent up to now is 38.7 secs Computing kpt #: 82 total cpu time spent up to now is 39.2 secs Computing kpt #: 83 total cpu time spent up to now is 39.6 secs Computing kpt #: 84 total cpu time spent up to now is 40.1 secs Computing kpt #: 85 total cpu time spent up to now is 40.6 secs Computing kpt #: 86 total cpu time spent up to now is 41.1 secs Computing kpt #: 87 total cpu time spent up to now is 41.5 secs Computing kpt #: 88 total cpu time spent up to now is 42.0 secs Computing kpt #: 89 total cpu time spent up to now is 42.5 secs Computing kpt #: 90 total cpu time spent up to now is 42.9 secs Computing kpt #: 91 total cpu time spent up to now is 43.4 secs Computing kpt #: 92 total cpu time spent up to now is 43.9 secs Computing kpt #: 93 total cpu time spent up to now is 44.4 secs Computing kpt #: 94 total cpu time spent up to now is 44.9 secs Computing kpt #: 95 total cpu time spent up to now is 45.3 secs Computing kpt #: 96 total cpu time spent up to now is 45.8 secs Computing kpt #: 97 total cpu time spent up to now is 46.3 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 48.0 secs Computing kpt #: 101 total cpu time spent up to now is 48.5 secs Computing kpt #: 102 total cpu time spent up to now is 49.1 secs Computing kpt #: 103 total cpu time spent up to now is 49.6 secs Computing kpt #: 104 total cpu time spent up to now is 50.2 secs Computing kpt #: 105 total cpu time spent up to now is 50.7 secs Computing kpt #: 106 total cpu time spent up to now is 51.2 secs Computing kpt #: 107 total cpu time spent up to now is 51.7 secs Computing kpt #: 108 total cpu time spent up to now is 52.2 secs Computing kpt #: 109 total cpu time spent up to now is 52.6 secs Computing kpt #: 110 total cpu time spent up to now is 53.1 secs Computing kpt #: 111 total cpu time spent up to now is 53.5 secs Computing kpt #: 112 total cpu time spent up to now is 54.0 secs Computing kpt #: 113 total cpu time spent up to now is 54.5 secs Computing kpt #: 114 total cpu time spent up to now is 54.9 secs Computing kpt #: 115 total cpu time spent up to now is 55.4 secs Computing kpt #: 116 total cpu time spent up to now is 55.8 secs Computing kpt #: 117 total cpu time spent up to now is 56.2 secs Computing kpt #: 118 total cpu time spent up to now is 56.7 secs Computing kpt #: 119 total cpu time spent up to now is 57.1 secs Computing kpt #: 120 total cpu time spent up to now is 57.6 secs Computing kpt #: 121 total cpu time spent up to now is 58.0 secs Computing kpt #: 122 total cpu time spent up to now is 58.4 secs Computing kpt #: 123 total cpu time spent up to now is 58.9 secs Computing kpt #: 124 total cpu time spent up to now is 59.3 secs Computing kpt #: 125 total cpu time spent up to now is 59.7 secs Computing kpt #: 126 total cpu time spent up to now is 60.2 secs Computing kpt #: 127 total cpu time spent up to now is 60.6 secs Computing kpt #: 128 total cpu time spent up to now is 61.0 secs Computing kpt #: 129 total cpu time spent up to now is 61.5 secs Computing kpt #: 130 total cpu time spent up to now is 61.9 secs Computing kpt #: 131 total cpu time spent up to now is 62.3 secs Computing kpt #: 132 total cpu time spent up to now is 62.7 secs Computing kpt #: 133 total cpu time spent up to now is 63.2 secs Computing kpt #: 134 total cpu time spent up to now is 63.6 secs Computing kpt #: 135 total cpu time spent up to now is 64.0 secs Computing kpt #: 136 total cpu time spent up to now is 64.4 secs Computing kpt #: 137 total cpu time spent up to now is 64.8 secs Computing kpt #: 138 total cpu time spent up to now is 65.2 secs Computing kpt #: 139 total cpu time spent up to now is 65.6 secs Computing kpt #: 140 total cpu time spent up to now is 66.1 secs Computing kpt #: 141 total cpu time spent up to now is 66.5 secs Computing kpt #: 142 total cpu time spent up to now is 66.9 secs Computing kpt #: 143 total cpu time spent up to now is 67.2 secs Computing kpt #: 144 total cpu time spent up to now is 67.6 secs Computing kpt #: 145 total cpu time spent up to now is 68.0 secs Computing kpt #: 146 total cpu time spent up to now is 68.4 secs Computing kpt #: 147 total cpu time spent up to now is 68.8 secs Computing kpt #: 148 total cpu time spent up to now is 69.2 secs Computing kpt #: 149 total cpu time spent up to now is 69.6 secs Computing kpt #: 150 total cpu time spent up to now is 70.0 secs Computing kpt #: 151 total cpu time spent up to now is 70.4 secs Computing kpt #: 152 total cpu time spent up to now is 70.8 secs Computing kpt #: 153 total cpu time spent up to now is 71.2 secs Computing kpt #: 154 total cpu time spent up to now is 71.6 secs Computing kpt #: 155 total cpu time spent up to now is 72.0 secs Computing kpt #: 156 total cpu time spent up to now is 72.4 secs Computing kpt #: 157 total cpu time spent up to now is 72.7 secs Computing kpt #: 158 total cpu time spent up to now is 73.1 secs Computing kpt #: 159 total cpu time spent up to now is 73.5 secs Computing kpt #: 160 total cpu time spent up to now is 73.9 secs Computing kpt #: 161 total cpu time spent up to now is 74.3 secs Computing kpt #: 162 total cpu time spent up to now is 74.7 secs Computing kpt #: 163 total cpu time spent up to now is 75.1 secs Computing kpt #: 164 total cpu time spent up to now is 75.5 secs Computing kpt #: 165 total cpu time spent up to now is 75.8 secs Computing kpt #: 166 total cpu time spent up to now is 76.2 secs Computing kpt #: 167 total cpu time spent up to now is 76.6 secs Computing kpt #: 168 total cpu time spent up to now is 77.0 secs Computing kpt #: 169 total cpu time spent up to now is 77.4 secs Computing kpt #: 170 total cpu time spent up to now is 77.8 secs Computing kpt #: 171 total cpu time spent up to now is 78.2 secs Computing kpt #: 172 total cpu time spent up to now is 78.5 secs Computing kpt #: 173 total cpu time spent up to now is 78.9 secs Computing kpt #: 174 total cpu time spent up to now is 79.3 secs Computing kpt #: 175 total cpu time spent up to now is 79.7 secs Computing kpt #: 176 total cpu time spent up to now is 80.1 secs Computing kpt #: 177 total cpu time spent up to now is 80.5 secs Computing kpt #: 178 total cpu time spent up to now is 80.8 secs Computing kpt #: 179 total cpu time spent up to now is 81.2 secs Computing kpt #: 180 total cpu time spent up to now is 81.6 secs Computing kpt #: 181 total cpu time spent up to now is 82.0 secs Computing kpt #: 182 total cpu time spent up to now is 82.4 secs Computing kpt #: 183 total cpu time spent up to now is 82.8 secs Computing kpt #: 184 total cpu time spent up to now is 83.2 secs Computing kpt #: 185 total cpu time spent up to now is 83.6 secs Computing kpt #: 186 total cpu time spent up to now is 84.0 secs Computing kpt #: 187 total cpu time spent up to now is 84.4 secs Computing kpt #: 188 total cpu time spent up to now is 84.8 secs Computing kpt #: 189 total cpu time spent up to now is 85.2 secs Computing kpt #: 190 total cpu time spent up to now is 85.6 secs Computing kpt #: 191 total cpu time spent up to now is 86.0 secs Computing kpt #: 192 total cpu time spent up to now is 86.4 secs Computing kpt #: 193 total cpu time spent up to now is 86.8 secs Computing kpt #: 194 total cpu time spent up to now is 87.2 secs Computing kpt #: 195 total cpu time spent up to now is 87.6 secs Computing kpt #: 196 total cpu time spent up to now is 88.0 secs Computing kpt #: 197 total cpu time spent up to now is 88.4 secs Computing kpt #: 198 total cpu time spent up to now is 88.8 secs Computing kpt #: 199 total cpu time spent up to now is 89.2 secs Computing kpt #: 200 total cpu time spent up to now is 89.6 secs Computing kpt #: 201 total cpu time spent up to now is 90.0 secs Computing kpt #: 202 total cpu time spent up to now is 90.4 secs Computing kpt #: 203 total cpu time spent up to now is 90.8 secs Computing kpt #: 204 total cpu time spent up to now is 91.2 secs Computing kpt #: 205 total cpu time spent up to now is 91.6 secs Computing kpt #: 206 total cpu time spent up to now is 91.9 secs Computing kpt #: 207 total cpu time spent up to now is 92.3 secs Computing kpt #: 208 total cpu time spent up to now is 92.7 secs Computing kpt #: 209 total cpu time spent up to now is 93.1 secs Computing kpt #: 210 total cpu time spent up to now is 93.5 secs Computing kpt #: 211 total cpu time spent up to now is 93.9 secs Computing kpt #: 212 total cpu time spent up to now is 94.3 secs Computing kpt #: 213 total cpu time spent up to now is 94.7 secs Computing kpt #: 214 total cpu time spent up to now is 95.1 secs Computing kpt #: 215 total cpu time spent up to now is 95.5 secs Computing kpt #: 216 total cpu time spent up to now is 95.8 secs Computing kpt #: 217 total cpu time spent up to now is 96.2 secs Computing kpt #: 218 total cpu time spent up to now is 96.6 secs Computing kpt #: 219 total cpu time spent up to now is 97.1 secs Computing kpt #: 220 total cpu time spent up to now is 97.5 secs Computing kpt #: 221 total cpu time spent up to now is 97.9 secs Computing kpt #: 222 total cpu time spent up to now is 98.3 secs Computing kpt #: 223 total cpu time spent up to now is 98.7 secs Computing kpt #: 224 total cpu time spent up to now is 99.1 secs Computing kpt #: 225 total cpu time spent up to now is 99.5 secs Computing kpt #: 226 total cpu time spent up to now is 99.9 secs Computing kpt #: 227 total cpu time spent up to now is 100.3 secs Computing kpt #: 228 total cpu time spent up to now is 100.8 secs Computing kpt #: 229 total cpu time spent up to now is 101.2 secs Computing kpt #: 230 total cpu time spent up to now is 101.6 secs Computing kpt #: 231 total cpu time spent up to now is 102.1 secs Computing kpt #: 232 total cpu time spent up to now is 102.5 secs Computing kpt #: 233 total cpu time spent up to now is 102.9 secs Computing kpt #: 234 total cpu time spent up to now is 103.4 secs Computing kpt #: 235 total cpu time spent up to now is 103.8 secs Computing kpt #: 236 total cpu time spent up to now is 104.3 secs Computing kpt #: 237 total cpu time spent up to now is 104.7 secs Computing kpt #: 238 total cpu time spent up to now is 105.1 secs Computing kpt #: 239 total cpu time spent up to now is 105.7 secs Computing kpt #: 240 total cpu time spent up to now is 106.1 secs Computing kpt #: 241 total cpu time spent up to now is 106.6 secs Computing kpt #: 242 total cpu time spent up to now is 107.1 secs Computing kpt #: 243 total cpu time spent up to now is 107.6 secs Computing kpt #: 244 total cpu time spent up to now is 108.2 secs Computing kpt #: 245 total cpu time spent up to now is 108.7 secs Computing kpt #: 246 total cpu time spent up to now is 109.2 secs Computing kpt #: 247 total cpu time spent up to now is 109.8 secs Computing kpt #: 248 total cpu time spent up to now is 110.3 secs Computing kpt #: 249 total cpu time spent up to now is 110.9 secs Computing kpt #: 250 total cpu time spent up to now is 111.5 secs Computing kpt #: 251 total cpu time spent up to now is 112.1 secs Computing kpt #: 252 total cpu time spent up to now is 112.6 secs Computing kpt #: 253 total cpu time spent up to now is 113.2 secs Computing kpt #: 254 total cpu time spent up to now is 113.9 secs Computing kpt #: 255 total cpu time spent up to now is 114.5 secs Computing kpt #: 256 total cpu time spent up to now is 115.1 secs Computing kpt #: 257 total cpu time spent up to now is 115.7 secs Computing kpt #: 258 total cpu time spent up to now is 116.3 secs Computing kpt #: 259 total cpu time spent up to now is 116.9 secs Computing kpt #: 260 total cpu time spent up to now is 117.6 secs Computing kpt #: 261 total cpu time spent up to now is 118.2 secs Computing kpt #: 262 total cpu time spent up to now is 118.8 secs Computing kpt #: 263 total cpu time spent up to now is 119.4 secs Computing kpt #: 264 total cpu time spent up to now is 120.0 secs Computing kpt #: 265 total cpu time spent up to now is 120.6 secs Computing kpt #: 266 total cpu time spent up to now is 121.2 secs Computing kpt #: 267 total cpu time spent up to now is 121.7 secs Computing kpt #: 268 total cpu time spent up to now is 122.3 secs Computing kpt #: 269 total cpu time spent up to now is 122.9 secs Computing kpt #: 270 total cpu time spent up to now is 123.5 secs Computing kpt #: 271 total cpu time spent up to now is 124.0 secs Computing kpt #: 272 total cpu time spent up to now is 124.6 secs Computing kpt #: 273 total cpu time spent up to now is 125.2 secs Computing kpt #: 274 total cpu time spent up to now is 125.7 secs Computing kpt #: 275 total cpu time spent up to now is 126.3 secs Computing kpt #: 276 total cpu time spent up to now is 126.8 secs Computing kpt #: 277 total cpu time spent up to now is 127.4 secs Computing kpt #: 278 total cpu time spent up to now is 127.9 secs Computing kpt #: 279 total cpu time spent up to now is 128.5 secs Computing kpt #: 280 total cpu time spent up to now is 129.1 secs Computing kpt #: 281 total cpu time spent up to now is 129.7 secs Computing kpt #: 282 total cpu time spent up to now is 131.0 secs Computing kpt #: 283 total cpu time spent up to now is 131.6 secs Computing kpt #: 284 total cpu time spent up to now is 132.2 secs Computing kpt #: 285 total cpu time spent up to now is 132.7 secs Computing kpt #: 286 total cpu time spent up to now is 133.3 secs Computing kpt #: 287 total cpu time spent up to now is 133.9 secs Computing kpt #: 288 total cpu time spent up to now is 134.5 secs Computing kpt #: 289 total cpu time spent up to now is 135.1 secs Computing kpt #: 290 total cpu time spent up to now is 135.7 secs Computing kpt #: 291 total cpu time spent up to now is 136.2 secs Computing kpt #: 292 total cpu time spent up to now is 136.7 secs Computing kpt #: 293 total cpu time spent up to now is 137.2 secs Computing kpt #: 294 total cpu time spent up to now is 137.6 secs Computing kpt #: 295 total cpu time spent up to now is 138.1 secs Computing kpt #: 296 total cpu time spent up to now is 138.6 secs Computing kpt #: 297 total cpu time spent up to now is 139.0 secs Computing kpt #: 298 total cpu time spent up to now is 139.5 secs Computing kpt #: 299 total cpu time spent up to now is 139.9 secs Computing kpt #: 300 total cpu time spent up to now is 140.4 secs Computing kpt #: 301 total cpu time spent up to now is 140.8 secs Computing kpt #: 302 total cpu time spent up to now is 141.3 secs Computing kpt #: 303 total cpu time spent up to now is 141.7 secs Computing kpt #: 304 total cpu time spent up to now is 142.1 secs Computing kpt #: 305 total cpu time spent up to now is 142.6 secs Computing kpt #: 306 total cpu time spent up to now is 143.0 secs Computing kpt #: 307 total cpu time spent up to now is 143.4 secs Computing kpt #: 308 total cpu time spent up to now is 143.9 secs Computing kpt #: 309 total cpu time spent up to now is 144.3 secs Computing kpt #: 310 total cpu time spent up to now is 144.7 secs Computing kpt #: 311 total cpu time spent up to now is 145.2 secs Computing kpt #: 312 total cpu time spent up to now is 145.6 secs Computing kpt #: 313 total cpu time spent up to now is 146.0 secs Computing kpt #: 314 total cpu time spent up to now is 146.5 secs Computing kpt #: 315 total cpu time spent up to now is 146.9 secs Computing kpt #: 316 total cpu time spent up to now is 147.4 secs Computing kpt #: 317 total cpu time spent up to now is 147.8 secs Computing kpt #: 318 total cpu time spent up to now is 148.3 secs Computing kpt #: 319 total cpu time spent up to now is 148.7 secs Computing kpt #: 320 total cpu time spent up to now is 149.2 secs Computing kpt #: 321 total cpu time spent up to now is 149.6 secs Computing kpt #: 322 total cpu time spent up to now is 150.1 secs Computing kpt #: 323 total cpu time spent up to now is 150.5 secs Computing kpt #: 324 total cpu time spent up to now is 151.0 secs Computing kpt #: 325 total cpu time spent up to now is 151.4 secs Computing kpt #: 326 total cpu time spent up to now is 151.9 secs Computing kpt #: 327 total cpu time spent up to now is 152.3 secs Computing kpt #: 328 total cpu time spent up to now is 152.8 secs Computing kpt #: 329 total cpu time spent up to now is 153.2 secs Computing kpt #: 330 total cpu time spent up to now is 153.6 secs Computing kpt #: 331 total cpu time spent up to now is 154.0 secs Computing kpt #: 332 total cpu time spent up to now is 154.5 secs Computing kpt #: 333 total cpu time spent up to now is 154.9 secs Computing kpt #: 334 total cpu time spent up to now is 155.3 secs Computing kpt #: 335 total cpu time spent up to now is 155.7 secs Computing kpt #: 336 total cpu time spent up to now is 156.2 secs Computing kpt #: 337 total cpu time spent up to now is 156.6 secs Computing kpt #: 338 total cpu time spent up to now is 157.0 secs Computing kpt #: 339 total cpu time spent up to now is 157.4 secs Computing kpt #: 340 total cpu time spent up to now is 157.8 secs Computing kpt #: 341 total cpu time spent up to now is 158.3 secs Computing kpt #: 342 total cpu time spent up to now is 158.7 secs Computing kpt #: 343 total cpu time spent up to now is 159.1 secs Computing kpt #: 344 total cpu time spent up to now is 159.5 secs Computing kpt #: 345 total cpu time spent up to now is 159.9 secs Computing kpt #: 346 total cpu time spent up to now is 160.3 secs Computing kpt #: 347 total cpu time spent up to now is 160.7 secs Computing kpt #: 348 total cpu time spent up to now is 161.2 secs Computing kpt #: 349 total cpu time spent up to now is 161.6 secs Computing kpt #: 350 total cpu time spent up to now is 162.0 secs Computing kpt #: 351 total cpu time spent up to now is 162.4 secs Computing kpt #: 352 total cpu time spent up to now is 162.8 secs Computing kpt #: 353 total cpu time spent up to now is 163.2 secs Computing kpt #: 354 total cpu time spent up to now is 163.6 secs Computing kpt #: 355 total cpu time spent up to now is 164.0 secs Computing kpt #: 356 total cpu time spent up to now is 164.5 secs Computing kpt #: 357 total cpu time spent up to now is 165.0 secs Computing kpt #: 358 total cpu time spent up to now is 165.4 secs Computing kpt #: 359 total cpu time spent up to now is 165.8 secs Computing kpt #: 360 total cpu time spent up to now is 166.2 secs Computing kpt #: 361 total cpu time spent up to now is 166.6 secs Computing kpt #: 362 total cpu time spent up to now is 167.0 secs Computing kpt #: 363 total cpu time spent up to now is 167.3 secs Computing kpt #: 364 total cpu time spent up to now is 167.7 secs Computing kpt #: 365 total cpu time spent up to now is 168.1 secs Computing kpt #: 366 total cpu time spent up to now is 168.5 secs Computing kpt #: 367 total cpu time spent up to now is 168.9 secs Computing kpt #: 368 total cpu time spent up to now is 169.3 secs Computing kpt #: 369 total cpu time spent up to now is 169.7 secs Computing kpt #: 370 total cpu time spent up to now is 170.1 secs Computing kpt #: 371 total cpu time spent up to now is 170.5 secs Computing kpt #: 372 total cpu time spent up to now is 170.9 secs Computing kpt #: 373 total cpu time spent up to now is 171.3 secs Computing kpt #: 374 total cpu time spent up to now is 171.6 secs Computing kpt #: 375 total cpu time spent up to now is 172.0 secs Computing kpt #: 376 total cpu time spent up to now is 172.4 secs Computing kpt #: 377 total cpu time spent up to now is 172.8 secs Computing kpt #: 378 total cpu time spent up to now is 173.2 secs Computing kpt #: 379 total cpu time spent up to now is 173.6 secs Computing kpt #: 380 total cpu time spent up to now is 174.0 secs Computing kpt #: 381 total cpu time spent up to now is 174.4 secs Computing kpt #: 382 total cpu time spent up to now is 174.7 secs Computing kpt #: 383 total cpu time spent up to now is 175.2 secs Computing kpt #: 384 total cpu time spent up to now is 175.7 secs Computing kpt #: 385 total cpu time spent up to now is 176.1 secs Computing kpt #: 386 total cpu time spent up to now is 176.6 secs Computing kpt #: 387 total cpu time spent up to now is 177.0 secs Computing kpt #: 388 total cpu time spent up to now is 177.4 secs Computing kpt #: 389 total cpu time spent up to now is 177.9 secs Computing kpt #: 390 total cpu time spent up to now is 178.3 secs Computing kpt #: 391 total cpu time spent up to now is 178.7 secs Computing kpt #: 392 total cpu time spent up to now is 179.2 secs Computing kpt #: 393 total cpu time spent up to now is 179.6 secs Computing kpt #: 394 total cpu time spent up to now is 180.1 secs Computing kpt #: 395 total cpu time spent up to now is 180.5 secs Computing kpt #: 396 total cpu time spent up to now is 181.0 secs Computing kpt #: 397 total cpu time spent up to now is 181.4 secs Computing kpt #: 398 total cpu time spent up to now is 181.9 secs Computing kpt #: 399 total cpu time spent up to now is 182.3 secs Computing kpt #: 400 total cpu time spent up to now is 182.8 secs Computing kpt #: 401 total cpu time spent up to now is 183.2 secs Computing kpt #: 402 total cpu time spent up to now is 183.7 secs Computing kpt #: 403 total cpu time spent up to now is 184.1 secs Computing kpt #: 404 total cpu time spent up to now is 184.6 secs Computing kpt #: 405 total cpu time spent up to now is 185.1 secs Computing kpt #: 406 total cpu time spent up to now is 185.5 secs ethr = 3.13E-08, avg # of iterations = 17.1 total cpu time spent up to now is 185.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4487 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3342 -33.3342 -32.8870 -32.8870 -7.4881 -7.4881 -6.2826 -6.2826 4.9255 4.9255 6.2494 6.2494 6.3122 6.3122 9.3218 9.3218 9.3661 9.3661 9.5808 9.5808 10.1364 10.1364 10.1381 10.1381 11.2312 11.2312 13.6866 13.6866 13.7376 13.7376 15.8419 15.8419 18.3785 18.3785 k = 0.0081-0.0117-0.0072 ( 4486 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3343 -33.3343 -32.8870 -32.8870 -7.4876 -7.4876 -6.2827 -6.2827 4.9266 4.9266 6.2493 6.2493 6.3122 6.3122 9.3167 9.3167 9.3608 9.3608 9.5805 9.5805 10.1401 10.1401 10.1418 10.1418 11.2317 11.2317 13.6856 13.6856 13.7366 13.7366 15.8449 15.8449 18.3827 18.3827 k = 0.0161-0.0234-0.0144 ( 4486 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4222 -33.4222 -33.3345 -33.3345 -32.8869 -32.8869 -7.4858 -7.4858 -6.2831 -6.2831 4.9298 4.9298 6.2490 6.2490 6.3120 6.3120 9.3015 9.3015 9.3457 9.3457 9.5794 9.5794 10.1499 10.1499 10.1535 10.1535 11.2330 11.2330 13.6824 13.6824 13.7339 13.7339 15.8539 15.8539 18.3952 18.3952 k = 0.0242-0.0351-0.0215 ( 4491 PWs) bands (ev): -66.7503 -66.7503 -37.2965 -37.2965 -33.4222 -33.4222 -33.3349 -33.3349 -32.8869 -32.8869 -7.4829 -7.4829 -6.2837 -6.2837 4.9351 4.9351 6.2484 6.2484 6.3118 6.3118 9.2757 9.2757 9.3227 9.3227 9.5779 9.5779 10.1645 10.1645 10.1728 10.1728 11.2352 11.2352 13.6768 13.6768 13.7297 13.7297 15.8689 15.8689 18.4159 18.4159 k = 0.0323-0.0467-0.0287 ( 4486 PWs) bands (ev): -66.7503 -66.7503 -37.2967 -37.2967 -33.4223 -33.4223 -33.3355 -33.3355 -32.8868 -32.8868 -7.4788 -7.4788 -6.2846 -6.2846 4.9425 4.9425 6.2471 6.2471 6.3120 6.3120 9.2392 9.2392 9.2941 9.2941 9.5759 9.5759 10.1829 10.1829 10.1984 10.1984 11.2384 11.2384 13.6684 13.6684 13.7248 13.7248 15.8897 15.8897 18.4447 18.4447 k = 0.0403-0.0584-0.0359 ( 4486 PWs) bands (ev): -66.7502 -66.7502 -37.2970 -37.2970 -33.4224 -33.4224 -33.3363 -33.3363 -32.8866 -32.8866 -7.4736 -7.4736 -6.2857 -6.2857 4.9520 4.9520 6.2450 6.2450 6.3128 6.3128 9.1926 9.1926 9.2618 9.2618 9.5735 9.5735 10.2039 10.2039 10.2291 10.2291 11.2424 11.2424 13.6568 13.6568 13.7196 13.7196 15.9164 15.9164 18.4813 18.4813 k = 0.0484-0.0701-0.0431 ( 4480 PWs) bands (ev): -66.7501 -66.7501 -37.2974 -37.2974 -33.4226 -33.4226 -33.3372 -33.3372 -32.8865 -32.8865 -7.4672 -7.4672 -6.2871 -6.2871 4.9635 4.9635 6.2418 6.2418 6.3145 6.3145 9.1374 9.1374 9.2266 9.2266 9.5707 9.5707 10.2262 10.2262 10.2639 10.2639 11.2474 11.2474 13.6422 13.6422 13.7145 13.7145 15.9488 15.9488 18.5253 18.5253 k = 0.0565-0.0818-0.0503 ( 4487 PWs) bands (ev): -66.7499 -66.7499 -37.2978 -37.2978 -33.4228 -33.4228 -33.3383 -33.3383 -32.8863 -32.8863 -7.4597 -7.4597 -6.2886 -6.2886 4.9771 4.9771 6.2374 6.2374 6.3174 6.3174 9.0750 9.0750 9.1892 9.1892 9.5671 9.5671 10.2490 10.2490 10.3018 10.3018 11.2534 11.2534 13.6249 13.6249 13.7095 13.7095 15.9868 15.9868 18.5765 18.5765 k = 0.0645-0.0935-0.0575 ( 4485 PWs) bands (ev): -66.7498 -66.7498 -37.2983 -37.2983 -33.4230 -33.4230 -33.3395 -33.3395 -32.8862 -32.8862 -7.4512 -7.4512 -6.2905 -6.2905 4.9926 4.9926 6.2317 6.2317 6.3214 6.3214 9.0066 9.0066 9.1500 9.1500 9.5628 9.5628 10.2713 10.2713 10.3421 10.3421 11.2603 11.2603 13.6052 13.6052 13.7045 13.7045 16.0302 16.0302 18.6345 18.6345 k = 0.0726-0.1052-0.0646 ( 4484 PWs) bands (ev): -66.7496 -66.7496 -37.2989 -37.2989 -33.4233 -33.4233 -33.3408 -33.3408 -32.8859 -32.8859 -7.4415 -7.4415 -6.2925 -6.2925 5.0101 5.0101 6.2249 6.2249 6.3266 6.3266 8.9332 8.9332 9.1096 9.1096 9.5574 9.5574 10.2928 10.2928 10.3841 10.3841 11.2681 11.2681 13.5838 13.5838 13.6997 13.6997 16.0789 16.0789 18.6987 18.6987 k = 0.0806-0.1168-0.0718 ( 4482 PWs) bands (ev): -66.7494 -66.7494 -37.2995 -37.2995 -33.4235 -33.4235 -33.3423 -33.3423 -32.8857 -32.8857 -7.4307 -7.4307 -6.2948 -6.2948 5.0294 5.0294 6.2172 6.2172 6.3329 6.3329 8.8556 8.8556 9.0684 9.0684 9.5508 9.5508 10.3128 10.3128 10.4272 10.4272 11.2769 11.2769 13.5610 13.5610 13.6948 13.6948 16.1328 16.1328 18.7689 18.7689 k = 0.0887-0.1285-0.0790 ( 4482 PWs) bands (ev): -66.7492 -66.7492 -37.3002 -37.3002 -33.4239 -33.4239 -33.3440 -33.3440 -32.8854 -32.8854 -7.4189 -7.4189 -6.2972 -6.2972 5.0506 5.0506 6.2089 6.2089 6.3401 6.3401 8.7743 8.7743 9.0268 9.0268 9.5428 9.5428 10.3313 10.3313 10.4712 10.4712 11.2866 11.2866 13.5376 13.5376 13.6898 13.6898 16.1915 16.1915 18.8446 18.8446 k = 0.0968-0.1402-0.0862 ( 4483 PWs) bands (ev): -66.7489 -66.7489 -37.3009 -37.3009 -33.4242 -33.4242 -33.3457 -33.3457 -32.8852 -32.8852 -7.4061 -7.4061 -6.2999 -6.2999 5.0735 5.0735 6.2000 6.2000 6.3481 6.3481 8.6898 8.6898 8.9852 8.9852 9.5332 9.5332 10.3479 10.3479 10.5155 10.5155 11.2973 11.2973 13.5138 13.5138 13.6848 13.6848 16.2549 16.2549 18.9253 18.9253 k = 0.1048-0.1519-0.0934 ( 4489 PWs) bands (ev): -66.7487 -66.7487 -37.3017 -37.3017 -33.4246 -33.4246 -33.3476 -33.3476 -32.8849 -32.8849 -7.3924 -7.3924 -6.3027 -6.3027 5.0980 5.0980 6.1909 6.1909 6.3567 6.3567 8.6026 8.6026 8.9438 8.9438 9.5217 9.5217 10.3626 10.3626 10.5599 10.5599 11.3089 11.3089 13.4903 13.4903 13.6797 13.6797 16.3228 16.3228 19.0106 19.0106 k = 0.1129-0.1636-0.1006 ( 4489 PWs) bands (ev): -66.7484 -66.7484 -37.3026 -37.3026 -33.4251 -33.4251 -33.3495 -33.3495 -32.8846 -32.8846 -7.3776 -7.3776 -6.3057 -6.3057 5.1240 5.1240 6.1819 6.1819 6.3659 6.3659 8.5129 8.5129 8.9030 8.9030 9.5082 9.5082 10.3753 10.3753 10.6042 10.6042 11.3213 11.3213 13.4672 13.4672 13.6746 13.6746 16.3950 16.3950 19.1001 19.1001 k = 0.1210-0.1753-0.1077 ( 4491 PWs) bands (ev): -66.7481 -66.7481 -37.3035 -37.3035 -33.4256 -33.4256 -33.3516 -33.3516 -32.8842 -32.8842 -7.3620 -7.3620 -6.3089 -6.3089 5.1515 5.1515 6.1731 6.1731 6.3756 6.3756 8.4213 8.4213 8.8628 8.8628 9.4924 9.4924 10.3861 10.3861 10.6481 10.6481 11.3346 11.3346 13.4452 13.4452 13.6695 13.6695 16.4711 16.4711 19.1934 19.1934 k = 0.1290-0.1869-0.1149 ( 4496 PWs) bands (ev): -66.7478 -66.7478 -37.3044 -37.3044 -33.4261 -33.4261 -33.3538 -33.3538 -32.8839 -32.8839 -7.3455 -7.3455 -6.3122 -6.3122 5.1802 5.1802 6.1647 6.1647 6.3856 6.3856 8.3278 8.3278 8.8237 8.8237 9.4744 9.4744 10.3950 10.3950 10.6914 10.6914 11.3486 11.3486 13.4243 13.4243 13.6644 13.6644 16.5511 16.5511 19.2901 19.2901 k = 0.1371-0.1986-0.1221 ( 4494 PWs) bands (ev): -66.7475 -66.7475 -37.3054 -37.3054 -33.4267 -33.4267 -33.3560 -33.3560 -32.8835 -32.8835 -7.3281 -7.3281 -6.3156 -6.3156 5.2100 5.2100 6.1572 6.1572 6.3957 6.3957 8.2329 8.2329 8.7857 8.7857 9.4539 9.4539 10.4020 10.4020 10.7340 10.7340 11.3634 11.3634 13.4050 13.4050 13.6595 13.6595 16.6346 16.6346 19.3899 19.3899 k = 0.1452-0.2103-0.1293 ( 4490 PWs) bands (ev): -66.7472 -66.7472 -37.3065 -37.3065 -33.4274 -33.4274 -33.3583 -33.3583 -32.8831 -32.8831 -7.3100 -7.3100 -6.3191 -6.3191 5.2406 5.2406 6.1507 6.1507 6.4060 6.4060 8.1367 8.1367 8.7490 8.7490 9.4307 9.4307 10.4072 10.4072 10.7756 10.7756 11.3789 11.3789 13.3875 13.3875 13.6547 13.6547 16.7214 16.7214 19.4922 19.4922 k = 0.1532-0.2220-0.1365 ( 4493 PWs) bands (ev): -66.7468 -66.7468 -37.3075 -37.3075 -33.4282 -33.4282 -33.3606 -33.3606 -32.8827 -32.8827 -7.2911 -7.2911 -6.3227 -6.3227 5.2720 5.2720 6.1455 6.1455 6.4162 6.4162 8.0395 8.0395 8.7138 8.7138 9.4050 9.4050 10.4108 10.4108 10.8163 10.8163 11.3950 11.3950 13.3719 13.3719 13.6500 13.6500 16.8113 16.8113 19.5969 19.5969 k = 0.1613-0.2337-0.1437 ( 4493 PWs) bands (ev): -66.7465 -66.7465 -37.3087 -37.3087 -33.4290 -33.4290 -33.3630 -33.3630 -32.8823 -32.8823 -7.2716 -7.2716 -6.3263 -6.3263 5.3037 5.3037 6.1419 6.1419 6.4263 6.4263 7.9416 7.9416 8.6803 8.6803 9.3766 9.3766 10.4128 10.4128 10.8559 10.8559 11.4117 11.4117 13.3583 13.3583 13.6457 13.6457 16.9040 16.9040 19.7035 19.7035 k = 0.1694-0.2454-0.1508 ( 4495 PWs) bands (ev): -66.7461 -66.7461 -37.3098 -37.3098 -33.4299 -33.4299 -33.3654 -33.3654 -32.8818 -32.8818 -7.2514 -7.2514 -6.3300 -6.3300 5.3355 5.3355 6.1403 6.1403 6.4362 6.4362 7.8431 7.8431 8.6486 8.6486 9.3455 9.3455 10.4134 10.4134 10.8942 10.8942 11.4289 11.4289 13.3469 13.3469 13.6416 13.6416 16.9993 16.9993 19.8117 19.8117 k = 0.1774-0.2570-0.1580 ( 4498 PWs) bands (ev): -66.7457 -66.7457 -37.3110 -37.3110 -33.4308 -33.4308 -33.3678 -33.3678 -32.8814 -32.8814 -7.2306 -7.2306 -6.3337 -6.3337 5.3671 5.3671 6.1410 6.1410 6.4457 6.4457 7.7443 7.7443 8.6188 8.6188 9.3117 9.3117 10.4126 10.4126 10.9312 10.9312 11.4466 11.4466 13.3377 13.3377 13.6379 13.6379 17.0970 17.0970 19.9212 19.9212 k = 0.1855-0.2687-0.1652 ( 4496 PWs) bands (ev): -66.7453 -66.7453 -37.3123 -37.3123 -33.4319 -33.4319 -33.3701 -33.3701 -32.8809 -32.8809 -7.2094 -7.2094 -6.3373 -6.3373 5.3981 5.3981 6.1443 6.1443 6.4547 6.4547 7.6453 7.6453 8.5910 8.5910 9.2754 9.2754 10.4106 10.4106 10.9668 10.9668 11.4646 11.4646 13.3306 13.3306 13.6345 13.6345 17.1968 17.1968 20.0317 20.0317 k = 0.1935-0.2804-0.1724 ( 4492 PWs) bands (ev): -66.7449 -66.7449 -37.3135 -37.3135 -33.4331 -33.4331 -33.3725 -33.3725 -32.8805 -32.8805 -7.1877 -7.1877 -6.3409 -6.3409 5.4281 5.4281 6.1506 6.1506 6.4631 6.4631 7.5465 7.5465 8.5654 8.5654 9.2367 9.2367 10.4074 10.4074 11.0008 11.0008 11.4830 11.4830 13.3257 13.3257 13.6316 13.6316 17.2986 17.2986 20.1429 20.1429 k = 0.2016-0.2921-0.1796 ( 4494 PWs) bands (ev): -66.7445 -66.7445 -37.3148 -37.3148 -33.4344 -33.4344 -33.3748 -33.3748 -32.8800 -32.8800 -7.1657 -7.1657 -6.3444 -6.3444 5.4569 5.4569 6.1601 6.1601 6.4708 6.4708 7.4480 7.4480 8.5420 8.5420 9.1956 9.1956 10.4032 10.4032 11.0334 11.0334 11.5016 11.5016 13.3229 13.3229 13.6292 13.6292 17.4020 17.4020 20.2546 20.2546 k = 0.2097-0.3038-0.1867 ( 4488 PWs) bands (ev): -66.7441 -66.7441 -37.3161 -37.3161 -33.4358 -33.4358 -33.3770 -33.3770 -32.8795 -32.8795 -7.1434 -7.1434 -6.3477 -6.3477 5.4840 5.4840 6.1732 6.1732 6.4778 6.4778 7.3501 7.3501 8.5210 8.5210 9.1523 9.1523 10.3980 10.3980 11.0643 11.0643 11.5204 11.5204 13.3220 13.3220 13.6273 13.6273 17.5070 17.5070 20.3663 20.3663 k = 0.2177-0.3155-0.1939 ( 4490 PWs) bands (ev): -66.7437 -66.7437 -37.3174 -37.3174 -33.4373 -33.4373 -33.3792 -33.3792 -32.8790 -32.8790 -7.1208 -7.1208 -6.3509 -6.3509 5.5092 5.5092 6.1900 6.1900 6.4838 6.4838 7.2530 7.2530 8.5023 8.5023 9.1071 9.1071 10.3919 10.3919 11.0937 11.0937 11.5394 11.5394 13.3229 13.3229 13.6260 13.6260 17.6132 17.6132 20.4778 20.4778 k = 0.2258-0.3271-0.2011 ( 4488 PWs) bands (ev): -66.7433 -66.7433 -37.3188 -37.3188 -33.4389 -33.4389 -33.3812 -33.3812 -32.8786 -32.8786 -7.0982 -7.0982 -6.3538 -6.3538 5.5322 5.5322 6.2104 6.2104 6.4890 6.4890 7.1570 7.1570 8.4861 8.4861 9.0601 9.0601 10.3851 10.3851 11.1213 11.1213 11.5584 11.5584 13.3256 13.3256 13.6252 13.6252 17.7205 17.7205 20.5888 20.5888 k = 0.2339-0.3388-0.2083 ( 4486 PWs) bands (ev): -66.7429 -66.7429 -37.3201 -37.3201 -33.4407 -33.4407 -33.3832 -33.3832 -32.8781 -32.8781 -7.0756 -7.0756 -6.3565 -6.3565 5.5531 5.5531 6.2343 6.2343 6.4932 6.4932 7.0625 7.0625 8.4723 8.4723 9.0115 9.0115 10.3776 10.3776 11.1472 11.1472 11.5774 11.5774 13.3298 13.3298 13.6250 13.6250 17.8286 17.8286 20.6990 20.6990 k = 0.2419-0.3505-0.2155 ( 4480 PWs) bands (ev): -66.7424 -66.7424 -37.3215 -37.3215 -33.4425 -33.4425 -33.3851 -33.3851 -32.8776 -32.8776 -7.0530 -7.0530 -6.3588 -6.3588 5.5717 5.5717 6.2612 6.2612 6.4963 6.4963 6.9701 6.9701 8.4610 8.4610 8.9618 8.9618 10.3694 10.3694 11.1715 11.1715 11.5964 11.5964 13.3354 13.3354 13.6255 13.6255 17.9374 17.9374 20.8080 20.8080 k = 0.2500-0.3622-0.2227 ( 4486 PWs) bands (ev): -66.7420 -66.7420 -37.3229 -37.3229 -33.4445 -33.4445 -33.3868 -33.3868 -32.8771 -32.8771 -7.0307 -7.0307 -6.3607 -6.3607 5.5881 5.5881 6.2903 6.2903 6.4985 6.4985 6.8803 6.8803 8.4522 8.4522 8.9110 8.9110 10.3606 10.3606 11.1940 11.1940 11.6151 11.6151 13.3422 13.3422 13.6265 13.6265 18.0466 18.0466 20.9156 20.9156 k = 0.2581-0.3739-0.2298 ( 4488 PWs) bands (ev): -66.7416 -66.7416 -37.3242 -37.3242 -33.4466 -33.4466 -33.3885 -33.3885 -32.8766 -32.8766 -7.0086 -7.0086 -6.3622 -6.3622 5.6026 5.6026 6.3200 6.3200 6.4996 6.4996 6.7947 6.7947 8.4457 8.4457 8.8595 8.8595 10.3514 10.3514 11.2147 11.2147 11.6336 11.6336 13.3500 13.3500 13.6281 13.6281 18.1561 18.1561 21.0214 21.0214 k = 0.2661-0.3856-0.2370 ( 4493 PWs) bands (ev): -66.7412 -66.7412 -37.3256 -37.3256 -33.4488 -33.4488 -33.3900 -33.3900 -32.8761 -32.8761 -6.9869 -6.9869 -6.3632 -6.3632 5.6153 5.6153 6.3474 6.3474 6.4999 6.4999 6.7157 6.7157 8.4416 8.4416 8.8077 8.8077 10.3417 10.3417 11.2338 11.2338 11.6518 11.6518 13.3588 13.3588 13.6304 13.6304 18.2657 18.2657 21.1249 21.1249 k = 0.2742-0.3972-0.2442 ( 4489 PWs) bands (ev): -66.7407 -66.7407 -37.3269 -37.3269 -33.4511 -33.4511 -33.3914 -33.3914 -32.8756 -32.8756 -6.9658 -6.9658 -6.3635 -6.3635 5.6264 5.6264 6.3663 6.3663 6.4994 6.4994 6.6495 6.6495 8.4397 8.4397 8.7559 8.7559 10.3315 10.3315 11.2512 11.2512 11.6696 11.6696 13.3683 13.3683 13.6332 13.6332 18.3752 18.3752 21.2256 21.2256 k = 0.2823-0.4089-0.2514 ( 4493 PWs) bands (ev): -66.7403 -66.7403 -37.3283 -37.3283 -33.4535 -33.4535 -33.3927 -33.3927 -32.8751 -32.8751 -6.9453 -6.9453 -6.3633 -6.3633 5.6360 5.6360 6.3647 6.3647 6.4975 6.4975 6.6081 6.6081 8.4398 8.4398 8.7044 8.7044 10.3211 10.3211 11.2669 11.2669 11.6868 11.6868 13.3784 13.3784 13.6367 13.6367 18.4844 18.4844 21.3232 21.3232 k = 0.2903-0.4206-0.2586 ( 4491 PWs) bands (ev): -66.7399 -66.7399 -37.3296 -37.3296 -33.4559 -33.4559 -33.3939 -33.3939 -32.8746 -32.8746 -6.9255 -6.9255 -6.3623 -6.3623 5.6442 5.6442 6.3329 6.3329 6.4935 6.4935 6.6020 6.6020 8.4416 8.4416 8.6539 8.6539 10.3103 10.3103 11.2810 11.2810 11.7035 11.7035 13.3889 13.3889 13.6406 13.6406 18.5932 18.5932 21.4168 21.4168 k = 0.2984-0.4323-0.2658 ( 4495 PWs) bands (ev): -66.7395 -66.7395 -37.3310 -37.3310 -33.4584 -33.4584 -33.3950 -33.3950 -32.8742 -32.8742 -6.9067 -6.9067 -6.3606 -6.3606 5.6509 5.6509 6.2788 6.2788 6.4885 6.4885 6.6223 6.6223 8.4448 8.4448 8.6050 8.6050 10.2992 10.2992 11.2935 11.2935 11.7195 11.7195 13.3998 13.3998 13.6451 13.6451 18.7013 18.7013 21.5058 21.5058 k = 0.3065-0.4440-0.2729 ( 4499 PWs) bands (ev): -66.7391 -66.7391 -37.3323 -37.3323 -33.4609 -33.4609 -33.3961 -33.3961 -32.8737 -32.8737 -6.8887 -6.8887 -6.3581 -6.3581 5.6559 5.6559 6.2155 6.2155 6.4830 6.4830 6.6552 6.6552 8.4481 8.4481 8.5590 8.5590 10.2879 10.2879 11.3045 11.3045 11.7348 11.7348 13.4109 13.4109 13.6500 13.6500 18.8087 18.8087 21.5894 21.5894 k = 0.3145-0.4557-0.2801 ( 4503 PWs) bands (ev): -66.7387 -66.7387 -37.3335 -37.3335 -33.4634 -33.4634 -33.3970 -33.3970 -32.8733 -32.8733 -6.8719 -6.8719 -6.3547 -6.3547 5.6586 5.6586 6.1509 6.1509 6.4770 6.4770 6.6932 6.6932 8.4482 8.4482 8.5199 8.5199 10.2764 10.2764 11.3140 11.3140 11.7493 11.7493 13.4221 13.4221 13.6553 13.6553 18.9151 18.9151 21.6664 21.6664 k = 0.3226-0.4673-0.2873 ( 4502 PWs) bands (ev): -66.7383 -66.7383 -37.3348 -37.3348 -33.4659 -33.4659 -33.3978 -33.3978 -32.8728 -32.8728 -6.8562 -6.8562 -6.3504 -6.3504 5.6581 5.6581 6.0891 6.0891 6.4705 6.4705 6.7330 6.7330 8.4343 8.4343 8.4984 8.4984 10.2647 10.2647 11.3221 11.3221 11.7629 11.7629 13.4333 13.4333 13.6611 13.6611 19.0204 19.0204 21.7357 21.7357 k = 0.3306-0.4790-0.2945 ( 4512 PWs) bands (ev): -66.7379 -66.7379 -37.3360 -37.3360 -33.4684 -33.4684 -33.3986 -33.3986 -32.8724 -32.8724 -6.8417 -6.8417 -6.3453 -6.3453 5.6531 5.6531 6.0331 6.0331 6.4635 6.4635 6.7726 6.7726 8.4036 8.4036 8.4977 8.4977 10.2529 10.2529 11.3290 11.3290 11.7755 11.7755 13.4445 13.4445 13.6671 13.6671 19.1246 19.1246 21.7959 21.7959 k = 0.3387-0.4907-0.3017 ( 4514 PWs) bands (ev): -66.7375 -66.7375 -37.3372 -37.3372 -33.4709 -33.4709 -33.3993 -33.3993 -32.8720 -32.8720 -6.8285 -6.8285 -6.3393 -6.3393 5.6416 5.6416 5.9856 5.9856 6.4561 6.4561 6.8108 6.8108 8.3687 8.3687 8.5057 8.5057 10.2410 10.2410 11.3345 11.3345 11.7872 11.7872 13.4556 13.4556 13.6734 13.6734 19.2274 19.2274 21.8456 21.8456 k = 0.3468-0.5024-0.3088 ( 4508 PWs) bands (ev): -66.7372 -66.7372 -37.3384 -37.3384 -33.4734 -33.4734 -33.3999 -33.3999 -32.8716 -32.8716 -6.8165 -6.8165 -6.3325 -6.3325 5.6219 5.6219 5.9490 5.9490 6.4484 6.4484 6.8466 6.8466 8.3353 8.3353 8.5167 8.5167 10.2290 10.2290 11.3390 11.3390 11.7977 11.7977 13.4664 13.4664 13.6799 13.6799 19.3288 19.3288 21.8834 21.8834 k = 0.3548-0.5141-0.3160 ( 4508 PWs) bands (ev): -66.7368 -66.7368 -37.3395 -37.3395 -33.4757 -33.4757 -33.4005 -33.4005 -32.8712 -32.8712 -6.8057 -6.8057 -6.3250 -6.3250 5.5932 5.5932 5.9242 5.9242 6.4405 6.4405 6.8791 6.8791 8.3054 8.3054 8.5294 8.5294 10.2170 10.2170 11.3424 11.3424 11.8072 11.8072 13.4771 13.4771 13.6866 13.6866 19.4286 19.4286 21.9082 21.9082 k = 0.3629-0.5258-0.3232 ( 4505 PWs) bands (ev): -66.7365 -66.7365 -37.3406 -37.3406 -33.4781 -33.4781 -33.4010 -33.4010 -32.8708 -32.8708 -6.7962 -6.7962 -6.3169 -6.3169 5.5568 5.5568 5.9104 5.9104 6.4324 6.4324 6.9077 6.9077 8.2798 8.2798 8.5430 8.5430 10.2050 10.2050 11.3448 11.3448 11.8156 11.8156 13.4874 13.4874 13.6933 13.6933 19.5268 19.5268 21.9199 21.9199 k = 0.3710-0.5374-0.3304 ( 4505 PWs) bands (ev): -66.7362 -66.7362 -37.3416 -37.3416 -33.4803 -33.4803 -33.4014 -33.4014 -32.8704 -32.8704 -6.7878 -6.7878 -6.3082 -6.3082 5.5151 5.5151 5.9054 5.9054 6.4243 6.4243 6.9318 6.9318 8.2591 8.2591 8.5572 8.5572 10.1931 10.1931 11.3464 11.3464 11.8229 11.8229 13.4974 13.4974 13.7001 13.7001 19.6232 19.6232 21.9186 21.9186 k = 0.3790-0.5491-0.3376 ( 4505 PWs) bands (ev): -66.7359 -66.7359 -37.3426 -37.3426 -33.4825 -33.4825 -33.4019 -33.4019 -32.8701 -32.8701 -6.7806 -6.7806 -6.2991 -6.2991 5.4706 5.4706 5.9067 5.9067 6.4162 6.4162 6.9508 6.9508 8.2436 8.2436 8.5716 8.5716 10.1812 10.1812 11.3472 11.3472 11.8291 11.8291 13.5071 13.5071 13.7068 13.7068 19.7177 19.7177 21.9055 21.9055 k = 0.3871-0.5608-0.3448 ( 4498 PWs) bands (ev): -66.7356 -66.7356 -37.3435 -37.3435 -33.4846 -33.4846 -33.4023 -33.4023 -32.8697 -32.8697 -6.7743 -6.7743 -6.2897 -6.2897 5.4252 5.4252 5.9124 5.9124 6.4083 6.4083 6.9647 6.9647 8.2334 8.2334 8.5862 8.5862 10.1695 10.1695 11.3474 11.3474 11.8343 11.8343 13.5164 13.5164 13.7134 13.7134 19.8103 19.8103 21.8820 21.8820 k = 0.3952-0.5725-0.3519 ( 4496 PWs) bands (ev): -66.7353 -66.7353 -37.3444 -37.3444 -33.4865 -33.4865 -33.4026 -33.4026 -32.8694 -32.8694 -6.7690 -6.7690 -6.2802 -6.2802 5.3804 5.3804 5.9212 5.9212 6.4006 6.4006 6.9734 6.9734 8.2285 8.2285 8.6006 8.6006 10.1580 10.1580 11.3470 11.3470 11.8385 11.8385 13.5252 13.5252 13.7199 13.7199 19.9008 19.9008 21.8501 21.8501 k = 0.4032-0.5842-0.3591 ( 4498 PWs) bands (ev): -66.7351 -66.7351 -37.3452 -37.3452 -33.4884 -33.4884 -33.4029 -33.4029 -32.8691 -32.8691 -6.7644 -6.7644 -6.2708 -6.2708 5.3371 5.3371 5.9321 5.9321 6.3932 6.3932 6.9771 6.9771 8.2284 8.2284 8.6148 8.6148 10.1468 10.1468 11.3461 11.3461 11.8417 11.8417 13.5336 13.5336 13.7261 13.7261 19.9893 19.9893 21.8113 21.8113 k = 0.4113-0.5959-0.3663 ( 4497 PWs) bands (ev): -66.7348 -66.7348 -37.3460 -37.3460 -33.4901 -33.4901 -33.4032 -33.4032 -32.8689 -32.8689 -6.7606 -6.7606 -6.2615 -6.2615 5.2960 5.2960 5.9445 5.9445 6.3861 6.3861 6.9763 6.9763 8.2325 8.2325 8.6285 8.6285 10.1359 10.1359 11.3449 11.3449 11.8440 11.8440 13.5415 13.5415 13.7321 13.7321 20.0754 20.0754 21.7672 21.7672 k = 0.4194-0.6075-0.3735 ( 4496 PWs) bands (ev): -66.7346 -66.7346 -37.3467 -37.3467 -33.4917 -33.4917 -33.4034 -33.4034 -32.8686 -32.8686 -6.7575 -6.7575 -6.2525 -6.2525 5.2576 5.2576 5.9578 5.9578 6.3795 6.3795 6.9716 6.9716 8.2403 8.2403 8.6415 8.6415 10.1254 10.1254 11.3434 11.3434 11.8457 11.8457 13.5488 13.5488 13.7378 13.7378 20.1592 20.1592 21.7190 21.7190 k = 0.4274-0.6192-0.3807 ( 4493 PWs) bands (ev): -66.7344 -66.7344 -37.3473 -37.3473 -33.4932 -33.4932 -33.4037 -33.4037 -32.8684 -32.8684 -6.7549 -6.7549 -6.2440 -6.2440 5.2221 5.2221 5.9715 5.9715 6.3734 6.3734 6.9638 6.9638 8.2507 8.2507 8.6537 8.6537 10.1155 10.1155 11.3417 11.3417 11.8466 11.8466 13.5556 13.5556 13.7431 13.7431 20.2404 20.2404 21.6681 21.6681 k = 0.4355-0.6309-0.3879 ( 4489 PWs) bands (ev): -66.7342 -66.7342 -37.3479 -37.3479 -33.4945 -33.4945 -33.4038 -33.4038 -32.8682 -32.8682 -6.7528 -6.7528 -6.2361 -6.2361 5.1899 5.1899 5.9852 5.9852 6.3678 6.3678 6.9537 6.9537 8.2629 8.2629 8.6651 8.6651 10.1061 10.1061 11.3399 11.3399 11.8471 11.8471 13.5618 13.5618 13.7479 13.7479 20.3188 20.3188 21.6153 21.6153 k = 0.4435-0.6426-0.3950 ( 4491 PWs) bands (ev): -66.7341 -66.7341 -37.3484 -37.3484 -33.4957 -33.4957 -33.4040 -33.4040 -32.8680 -32.8680 -6.7511 -6.7511 -6.2288 -6.2288 5.1612 5.1612 5.9986 5.9986 6.3629 6.3629 6.9422 6.9422 8.2761 8.2761 8.6754 8.6754 10.0975 10.0975 11.3382 11.3382 11.8471 11.8471 13.5673 13.5673 13.7523 13.7523 20.3940 20.3940 21.5616 21.5616 k = 0.4516-0.6543-0.4022 ( 4495 PWs) bands (ev): -66.7339 -66.7339 -37.3489 -37.3489 -33.4967 -33.4967 -33.4042 -33.4042 -32.8679 -32.8679 -6.7498 -6.7498 -6.2223 -6.2223 5.1360 5.1360 6.0113 6.0113 6.3585 6.3585 6.9301 6.9301 8.2893 8.2893 8.6846 8.6846 10.0897 10.0897 11.3365 11.3365 11.8468 11.8468 13.5722 13.5722 13.7562 13.7562 20.4655 20.4655 21.5080 21.5080 k = 0.4597-0.6660-0.4094 ( 4489 PWs) bands (ev): -66.7338 -66.7338 -37.3493 -37.3493 -33.4976 -33.4976 -33.4043 -33.4043 -32.8677 -32.8677 -6.7487 -6.7487 -6.2166 -6.2166 5.1145 5.1145 6.0228 6.0228 6.3548 6.3548 6.9182 6.9182 8.3019 8.3019 8.6925 8.6925 10.0829 10.0829 11.3349 11.3349 11.8464 11.8464 13.5764 13.5764 13.7595 13.7595 20.5324 20.5324 21.4557 21.4557 k = 0.4677-0.6776-0.4166 ( 4491 PWs) bands (ev): -66.7337 -66.7337 -37.3496 -37.3496 -33.4983 -33.4983 -33.4044 -33.4044 -32.8676 -32.8676 -6.7479 -6.7479 -6.2119 -6.2119 5.0967 5.0967 6.0329 6.0329 6.3517 6.3517 6.9074 6.9074 8.3132 8.3132 8.6991 8.6991 10.0772 10.0772 11.3335 11.3335 11.8458 11.8458 13.5799 13.5799 13.7623 13.7623 20.5934 20.5934 21.4063 21.4063 k = 0.4758-0.6893-0.4238 ( 4491 PWs) bands (ev): -66.7337 -66.7337 -37.3498 -37.3498 -33.4989 -33.4989 -33.4044 -33.4044 -32.8675 -32.8675 -6.7473 -6.7473 -6.2082 -6.2082 5.0829 5.0829 6.0412 6.0412 6.3494 6.3494 6.8982 6.8982 8.3225 8.3225 8.7043 8.7043 10.0726 10.0726 11.3324 11.3324 11.8453 11.8453 13.5826 13.5826 13.7645 13.7645 20.6467 20.6467 21.3619 21.3619 k = 0.4839-0.7010-0.4310 ( 4488 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4993 -33.4993 -33.4045 -33.4045 -32.8675 -32.8675 -6.7469 -6.7469 -6.2055 -6.2055 5.0730 5.0730 6.0473 6.0473 6.3477 6.3477 6.8912 6.8912 8.3295 8.3295 8.7081 8.7081 10.0692 10.0692 11.3316 11.3316 11.8449 11.8449 13.5846 13.5846 13.7661 13.7661 20.6892 20.6892 21.3256 21.3256 k = 0.4919-0.7127-0.4381 ( 4480 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7467 -6.7467 -6.2038 -6.2038 5.0670 5.0670 6.0511 6.0511 6.3467 6.3467 6.8868 6.8868 8.3339 8.3339 8.7104 8.7104 10.0672 10.0672 11.3311 11.3311 11.8446 11.8446 13.5858 13.5858 13.7670 13.7670 20.7172 20.7172 21.3013 21.3013 k = 0.5000-0.7244-0.4453 ( 4480 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7466 -6.7466 -6.2033 -6.2033 5.0650 5.0650 6.0524 6.0524 6.3463 6.3463 6.8853 6.8853 8.3353 8.3353 8.7111 8.7111 10.0665 10.0665 11.3309 11.3309 11.8445 11.8445 13.5862 13.5862 13.7674 13.7674 20.7271 20.7271 21.2927 21.2927 k = 0.5000-0.7244-0.4453 ( 4480 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7466 -6.7466 -6.2033 -6.2033 5.0650 5.0650 6.0524 6.0524 6.3463 6.3463 6.8853 6.8853 8.3353 8.3353 8.7111 8.7111 10.0665 10.0665 11.3309 11.3309 11.8445 11.8445 13.5862 13.5862 13.7674 13.7674 20.7271 20.7271 21.2927 21.2927 k = 0.5000-0.7161-0.4588 ( 4476 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4046 -33.4046 -32.8674 -32.8674 -6.7462 -6.7462 -6.2035 -6.2035 5.0661 5.0661 6.0532 6.0532 6.3436 6.3436 6.8886 6.8886 8.3335 8.3335 8.7058 8.7058 10.0702 10.0702 11.3314 11.3314 11.8440 11.8440 13.5866 13.5866 13.7669 13.7669 20.7301 20.7301 21.2943 21.2943 k = 0.5000-0.7077-0.4724 ( 4488 PWs) bands (ev): -66.7335 -66.7335 -37.3502 -37.3502 -33.4995 -33.4995 -33.4048 -33.4048 -32.8674 -32.8674 -6.7450 -6.7450 -6.2042 -6.2042 5.0695 5.0695 6.0557 6.0557 6.3357 6.3357 6.8981 6.8981 8.3281 8.3281 8.6902 8.6902 10.0809 10.0809 11.3328 11.3328 11.8424 11.8424 13.5880 13.5880 13.7657 13.7657 20.7391 20.7391 21.2990 21.2990 k = 0.5000-0.6994-0.4859 ( 4486 PWs) bands (ev): -66.7335 -66.7335 -37.3503 -37.3503 -33.4994 -33.4994 -33.4051 -33.4051 -32.8674 -32.8674 -6.7431 -6.7431 -6.2054 -6.2054 5.0750 5.0750 6.0598 6.0598 6.3232 6.3232 6.9135 6.9135 8.3191 8.3191 8.6647 8.6647 10.0981 10.0981 11.3352 11.3352 11.8398 11.8398 13.5903 13.5903 13.7636 13.7636 20.7540 20.7540 21.3070 21.3070 k = 0.5000-0.6911-0.4994 ( 4488 PWs) bands (ev): -66.7335 -66.7335 -37.3503 -37.3503 -33.4992 -33.4992 -33.4056 -33.4056 -32.8674 -32.8674 -6.7404 -6.7404 -6.2070 -6.2070 5.0827 5.0827 6.0655 6.0655 6.3069 6.3069 6.9338 6.9338 8.3065 8.3065 8.6302 8.6302 10.1212 10.1212 11.3384 11.3384 11.8361 11.8361 13.5935 13.5935 13.7608 13.7608 20.7747 20.7747 21.3180 21.3180 k = 0.5000-0.6828-0.5130 ( 4488 PWs) bands (ev): -66.7335 -66.7335 -37.3504 -37.3504 -33.4989 -33.4989 -33.4061 -33.4061 -32.8674 -32.8674 -6.7369 -6.7369 -6.2090 -6.2090 5.0926 5.0926 6.0727 6.0727 6.2877 6.2877 6.9582 6.9582 8.2905 8.2905 8.5878 8.5878 10.1490 10.1490 11.3424 11.3424 11.8314 11.8314 13.5975 13.5975 13.7573 13.7573 20.8012 20.8012 21.3321 21.3321 k = 0.5000-0.6745-0.5265 ( 4496 PWs) bands (ev): -66.7334 -66.7334 -37.3505 -37.3505 -33.4986 -33.4986 -33.4068 -33.4068 -32.8673 -32.8673 -6.7326 -6.7326 -6.2115 -6.2115 5.1046 5.1046 6.0814 6.0814 6.2663 6.2663 6.9859 6.9859 8.2710 8.2710 8.5385 8.5385 10.1808 10.1808 11.3471 11.3471 11.8258 11.8258 13.6021 13.6021 13.7532 13.7532 20.8332 20.8332 21.3493 21.3493 k = 0.5000-0.6662-0.5400 ( 4494 PWs) bands (ev): -66.7334 -66.7334 -37.3507 -37.3507 -33.4982 -33.4982 -33.4076 -33.4076 -32.8673 -32.8673 -6.7277 -6.7277 -6.2145 -6.2145 5.1187 5.1187 6.0913 6.0913 6.2437 6.2437 7.0163 7.0163 8.2483 8.2483 8.4834 8.4834 10.2155 10.2155 11.3525 11.3525 11.8192 11.8192 13.6074 13.6074 13.7486 13.7486 20.8705 20.8705 21.3693 21.3693 k = 0.5000-0.6578-0.5535 ( 4492 PWs) bands (ev): -66.7333 -66.7333 -37.3508 -37.3508 -33.4978 -33.4978 -33.4085 -33.4085 -32.8672 -32.8672 -6.7220 -6.7220 -6.2178 -6.2178 5.1349 5.1349 6.1022 6.1022 6.2208 6.2208 7.0488 7.0488 8.2223 8.2223 8.4235 8.4235 10.2524 10.2524 11.3584 11.3584 11.8116 11.8116 13.6132 13.6132 13.7437 13.7437 20.9131 20.9131 21.3922 21.3922 k = 0.5000-0.6495-0.5671 ( 4498 PWs) bands (ev): -66.7333 -66.7333 -37.3510 -37.3510 -33.4973 -33.4973 -33.4095 -33.4095 -32.8672 -32.8672 -6.7156 -6.7156 -6.2216 -6.2216 5.1531 5.1531 6.1129 6.1129 6.1988 6.1988 7.0829 7.0829 8.1931 8.1931 8.3598 8.3598 10.2907 10.2907 11.3646 11.3646 11.8032 11.8032 13.6193 13.6193 13.7387 13.7387 20.9605 20.9605 21.4178 21.4178 k = 0.5000-0.6412-0.5806 ( 4498 PWs) bands (ev): -66.7332 -66.7332 -37.3512 -37.3512 -33.4968 -33.4968 -33.4107 -33.4107 -32.8672 -32.8672 -6.7086 -6.7086 -6.2258 -6.2258 5.1732 5.1732 6.1206 6.1206 6.1811 6.1811 7.1183 7.1183 8.1608 8.1608 8.2931 8.2931 10.3299 10.3299 11.3712 11.3712 11.7940 11.7940 13.6256 13.6256 13.7337 13.7337 21.0125 21.0125 21.4461 21.4461 k = 0.5000-0.6329-0.5941 ( 4496 PWs) bands (ev): -66.7331 -66.7331 -37.3514 -37.3514 -33.4962 -33.4962 -33.4119 -33.4119 -32.8671 -32.8671 -6.7009 -6.7009 -6.2304 -6.2304 5.1951 5.1951 6.1178 6.1178 6.1753 6.1753 7.1545 7.1545 8.1251 8.1251 8.2245 8.2245 10.3694 10.3694 11.3779 11.3779 11.7841 11.7841 13.6318 13.6318 13.7289 13.7289 21.0688 21.0688 21.4768 21.4768 k = 0.5000-0.6246-0.6076 ( 4496 PWs) bands (ev): -66.7331 -66.7331 -37.3516 -37.3516 -33.4955 -33.4955 -33.4132 -33.4132 -32.8670 -32.8670 -6.6926 -6.6926 -6.2354 -6.2354 5.2189 5.2189 6.1025 6.1025 6.1836 6.1836 7.1913 7.1913 8.0855 8.0855 8.1557 8.1557 10.4088 10.4088 11.3845 11.3845 11.7735 11.7735 13.6376 13.6376 13.7247 13.7247 21.1290 21.1290 21.5098 21.5098 k = 0.5000-0.6163-0.6212 ( 4494 PWs) bands (ev): -66.7330 -66.7330 -37.3518 -37.3518 -33.4949 -33.4949 -33.4146 -33.4146 -32.8670 -32.8670 -6.6837 -6.6837 -6.2408 -6.2408 5.2444 5.2444 6.0819 6.0819 6.1988 6.1988 7.2285 7.2285 8.0393 8.0393 8.0898 8.0898 10.4478 10.4478 11.3911 11.3911 11.7624 11.7624 13.6428 13.6428 13.7213 13.7213 21.1927 21.1927 21.5450 21.5450 k = 0.5000-0.6079-0.6347 ( 4492 PWs) bands (ev): -66.7329 -66.7329 -37.3520 -37.3520 -33.4941 -33.4941 -33.4160 -33.4160 -32.8669 -32.8669 -6.6742 -6.6742 -6.2465 -6.2465 5.2715 5.2715 6.0601 6.0601 6.2168 6.2168 7.2659 7.2659 7.9821 7.9821 8.0323 8.0323 10.4861 10.4861 11.3973 11.3973 11.7507 11.7507 13.6471 13.6471 13.7192 13.7192 21.2594 21.2594 21.5821 21.5821 k = 0.5000-0.5996-0.6482 ( 4490 PWs) bands (ev): -66.7328 -66.7328 -37.3523 -37.3523 -33.4934 -33.4934 -33.4176 -33.4176 -32.8668 -32.8668 -6.6643 -6.6643 -6.2526 -6.2526 5.3002 5.3002 6.0382 6.0382 6.2364 6.2364 7.3031 7.3031 7.9153 7.9153 7.9826 7.9826 10.5234 10.5234 11.4031 11.4031 11.7387 11.7387 13.6501 13.6501 13.7184 13.7184 21.3286 21.3286 21.6211 21.6211 k = 0.5000-0.5913-0.6618 ( 4484 PWs) bands (ev): -66.7327 -66.7327 -37.3525 -37.3525 -33.4926 -33.4926 -33.4192 -33.4192 -32.8668 -32.8668 -6.6538 -6.6538 -6.2591 -6.2591 5.3303 5.3303 6.0170 6.0170 6.2569 6.2569 7.3399 7.3399 7.8450 7.8450 7.9355 7.9355 10.5595 10.5595 11.4084 11.4084 11.7265 11.7265 13.6517 13.6517 13.7193 13.7193 21.3996 21.3996 21.6617 21.6617 k = 0.5000-0.5830-0.6753 ( 4488 PWs) bands (ev): -66.7326 -66.7326 -37.3528 -37.3528 -33.4918 -33.4918 -33.4208 -33.4208 -32.8667 -32.8667 -6.6429 -6.6429 -6.2658 -6.2658 5.3618 5.3618 5.9966 5.9966 6.2776 6.2776 7.3758 7.3758 7.7742 7.7742 7.8891 7.8891 10.5943 10.5943 11.4130 11.4130 11.7142 11.7142 13.6520 13.6520 13.7215 13.7215 21.4717 21.4717 21.7037 21.7037 k = 0.5000-0.5747-0.6888 ( 4486 PWs) bands (ev): -66.7325 -66.7325 -37.3531 -37.3531 -33.4909 -33.4909 -33.4225 -33.4225 -32.8666 -32.8666 -6.6316 -6.6316 -6.2729 -6.2729 5.3946 5.3946 5.9772 5.9772 6.2982 6.2982 7.4102 7.4102 7.7048 7.7048 7.8430 7.8430 10.6275 10.6275 11.4167 11.4167 11.7019 11.7019 13.6514 13.6514 13.7248 13.7248 21.5440 21.5440 21.7469 21.7469 k = 0.5000-0.5664-0.7023 ( 4488 PWs) bands (ev): -66.7325 -66.7325 -37.3533 -37.3533 -33.4901 -33.4901 -33.4242 -33.4242 -32.8666 -32.8666 -6.6200 -6.6200 -6.2802 -6.2802 5.4285 5.4285 5.9590 5.9590 6.3181 6.3181 7.4417 7.4417 7.6380 7.6380 7.7981 7.7981 10.6590 10.6590 11.4196 11.4196 11.6898 11.6898 13.6502 13.6502 13.7288 13.7288 21.6153 21.6153 21.7911 21.7911 k = 0.5000-0.5580-0.7159 ( 4488 PWs) bands (ev): -66.7324 -66.7324 -37.3536 -37.3536 -33.4892 -33.4892 -33.4259 -33.4259 -32.8665 -32.8665 -6.6081 -6.6081 -6.2878 -6.2878 5.4635 5.4635 5.9419 5.9419 6.3367 6.3367 7.4673 7.4673 7.5758 7.5758 7.7564 7.7564 10.6887 10.6887 11.4215 11.4215 11.6781 11.6781 13.6488 13.6488 13.7330 13.7330 21.6843 21.6843 21.8361 21.8361 k = 0.5000-0.5497-0.7294 ( 4486 PWs) bands (ev): -66.7323 -66.7323 -37.3539 -37.3539 -33.4883 -33.4883 -33.4276 -33.4276 -32.8664 -32.8664 -6.5959 -6.5959 -6.2957 -6.2957 5.4994 5.4994 5.9262 5.9262 6.3531 6.3531 7.4761 7.4761 7.5257 7.5257 7.7222 7.7222 10.7163 10.7163 11.4225 11.4225 11.6668 11.6668 13.6474 13.6474 13.7372 13.7372 21.7496 21.7496 21.8815 21.8815 k = 0.5000-0.5414-0.7429 ( 4476 PWs) bands (ev): -66.7322 -66.7322 -37.3541 -37.3541 -33.4874 -33.4874 -33.4293 -33.4293 -32.8663 -32.8663 -6.5834 -6.5834 -6.3038 -6.3038 5.5361 5.5361 5.9118 5.9118 6.3665 6.3665 7.4446 7.4446 7.5054 7.5054 7.7027 7.7027 10.7418 10.7418 11.4224 11.4224 11.6561 11.6561 13.6462 13.6462 13.7412 13.7412 21.8092 21.8092 21.9270 21.9270 k = 0.5000-0.5331-0.7564 ( 4470 PWs) bands (ev): -66.7321 -66.7321 -37.3544 -37.3544 -33.4865 -33.4865 -33.4310 -33.4310 -32.8663 -32.8663 -6.5709 -6.5709 -6.3121 -6.3121 5.5734 5.5734 5.8989 5.8989 6.3760 6.3760 7.3996 7.3996 7.4839 7.4839 7.7032 7.7032 10.7650 10.7650 11.4214 11.4214 11.6461 11.6461 13.6452 13.6452 13.7448 13.7448 21.8614 21.8614 21.9721 21.9721 k = 0.5000-0.5248-0.7700 ( 4472 PWs) bands (ev): -66.7320 -66.7320 -37.3546 -37.3546 -33.4856 -33.4856 -33.4326 -33.4326 -32.8662 -32.8662 -6.5582 -6.5582 -6.3205 -6.3205 5.6113 5.6113 5.8875 5.8875 6.3803 6.3803 7.3590 7.3590 7.4483 7.4483 7.7200 7.7200 10.7859 10.7859 11.4195 11.4195 11.6368 11.6368 13.6445 13.6445 13.7479 13.7479 21.9045 21.9045 22.0161 22.0161 k = 0.5000-0.5165-0.7835 ( 4468 PWs) bands (ev): -66.7319 -66.7319 -37.3549 -37.3549 -33.4847 -33.4847 -33.4342 -33.4342 -32.8661 -32.8661 -6.5455 -6.5455 -6.3292 -6.3292 5.6495 5.6495 5.8776 5.8776 6.3787 6.3787 7.3257 7.3257 7.4040 7.4040 7.7459 7.7459 10.8041 10.8041 11.4169 11.4169 11.6283 11.6283 13.6442 13.6442 13.7504 13.7504 21.9373 21.9373 22.0584 22.0584 k = 0.5000-0.5081-0.7970 ( 4472 PWs) bands (ev): -66.7318 -66.7318 -37.3551 -37.3551 -33.4839 -33.4839 -33.4357 -33.4357 -32.8661 -32.8661 -6.5329 -6.5329 -6.3380 -6.3380 5.6878 5.6878 5.8694 5.8694 6.3705 6.3705 7.3002 7.3002 7.3560 7.3560 7.7764 7.7764 10.8198 10.8198 11.4138 11.4138 11.6206 11.6206 13.6442 13.6442 13.7522 13.7522 21.9590 21.9590 22.0989 22.0989 k = 0.5000-0.4998-0.8106 ( 4468 PWs) bands (ev): -66.7318 -66.7318 -37.3553 -37.3553 -33.4831 -33.4831 -33.4372 -33.4372 -32.8660 -32.8660 -6.5203 -6.5203 -6.3469 -6.3469 5.7258 5.7258 5.8631 5.8631 6.3555 6.3555 7.2776 7.2776 7.3119 7.3119 7.8093 7.8093 10.8327 10.8327 11.4102 11.4102 11.6135 11.6135 13.6444 13.6444 13.7533 13.7533 21.9699 21.9699 22.1373 22.1373 k = 0.5000-0.4915-0.8241 ( 4468 PWs) bands (ev): -66.7317 -66.7317 -37.3555 -37.3555 -33.4824 -33.4824 -33.4385 -33.4385 -32.8660 -32.8660 -6.5078 -6.5078 -6.3559 -6.3559 5.7626 5.7626 5.8593 5.8593 6.3339 6.3339 7.2379 7.2379 7.2928 7.2928 7.8433 7.8433 10.8429 10.8429 11.4064 11.4064 11.6072 11.6072 13.6448 13.6448 13.7537 13.7537 21.9711 21.9711 22.1730 22.1730 k = 0.5000-0.4832-0.8376 ( 4466 PWs) bands (ev): -66.7316 -66.7316 -37.3557 -37.3557 -33.4817 -33.4817 -33.4397 -33.4397 -32.8659 -32.8659 -6.4956 -6.4956 -6.3649 -6.3649 5.7962 5.7962 5.8599 5.8599 6.3068 6.3068 7.1862 7.1862 7.2936 7.2936 7.8780 7.8780 10.8504 10.8504 11.4025 11.4025 11.6014 11.6014 13.6454 13.6454 13.7534 13.7534 21.9642 21.9642 22.2054 22.2054 k = 0.5000-0.4749-0.8511 ( 4466 PWs) bands (ev): -66.7316 -66.7316 -37.3559 -37.3559 -33.4812 -33.4812 -33.4407 -33.4407 -32.8659 -32.8659 -6.4836 -6.4836 -6.3740 -6.3740 5.8202 5.8202 5.8705 5.8705 6.2753 6.2753 7.1321 7.1321 7.3041 7.3041 7.9131 7.9131 10.8552 10.8552 11.3986 11.3986 11.5963 11.5963 13.6459 13.6459 13.7524 13.7524 21.9512 21.9512 22.2335 22.2335 k = 0.5000-0.4666-0.8647 ( 4464 PWs) bands (ev): -66.7315 -66.7315 -37.3560 -37.3560 -33.4807 -33.4807 -33.4416 -33.4416 -32.8659 -32.8659 -6.4720 -6.4720 -6.3830 -6.3830 5.8304 5.8304 5.8948 5.8948 6.2414 6.2414 7.0775 7.0775 7.3217 7.3217 7.9482 7.9482 10.8576 10.8576 11.3946 11.3946 11.5917 11.5917 13.6465 13.6465 13.7507 13.7507 21.9336 21.9336 22.2564 22.2564 k = 0.5000-0.4583-0.8782 ( 4478 PWs) bands (ev): -66.7315 -66.7315 -37.3561 -37.3561 -33.4803 -33.4803 -33.4423 -33.4423 -32.8659 -32.8659 -6.4610 -6.4610 -6.3919 -6.3919 5.8342 5.8342 5.9240 5.9240 6.2075 6.2075 7.0229 7.0229 7.3447 7.3447 7.9835 7.9835 10.8576 10.8576 11.3906 11.3906 11.5876 11.5876 13.6468 13.6468 13.7483 13.7483 21.9128 21.9128 22.2725 22.2725 k = 0.5000-0.4499-0.8917 ( 4478 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4800 -33.4800 -33.4429 -33.4429 -32.8659 -32.8659 -6.4507 -6.4507 -6.4004 -6.4004 5.8367 5.8367 5.9500 5.9500 6.1773 6.1773 6.9688 6.9688 7.3720 7.3720 8.0186 8.0186 10.8555 10.8555 11.3864 11.3864 11.5840 11.5840 13.6469 13.6469 13.7453 13.7453 21.8898 21.8898 22.2806 22.2806 k = 0.5000-0.4416-0.9053 ( 4480 PWs) bands (ev): -66.7315 -66.7315 -37.3563 -37.3563 -33.4798 -33.4798 -33.4432 -33.4432 -32.8659 -32.8659 -6.4419 -6.4419 -6.4080 -6.4080 5.8392 5.8392 5.9662 5.9662 6.1568 6.1568 6.9155 6.9155 7.4024 7.4024 8.0537 8.0537 10.8517 10.8517 11.3820 11.3820 11.5809 11.5809 13.6466 13.6466 13.7418 13.7418 21.8655 21.8655 22.2791 22.2791 k = 0.5000-0.4333-0.9188 ( 4478 PWs) bands (ev): -66.7314 -66.7314 -37.3563 -37.3563 -33.4797 -33.4797 -33.4434 -33.4434 -32.8659 -32.8659 -6.4364 -6.4364 -6.4128 -6.4128 5.8421 5.8421 5.9659 5.9659 6.1533 6.1533 6.8631 6.8631 7.4351 7.4351 8.0887 8.0887 10.8463 10.8463 11.3772 11.3772 11.5782 11.5782 13.6459 13.6459 13.7377 13.7377 21.8405 21.8405 22.2667 22.2667 k = 0.5000-0.4250-0.9323 ( 4478 PWs) bands (ev): -66.7314 -66.7314 -37.3563 -37.3563 -33.4797 -33.4797 -33.4434 -33.4434 -32.8659 -32.8659 -6.4377 -6.4377 -6.4112 -6.4112 5.8448 5.8448 5.9491 5.9491 6.1675 6.1675 6.8120 6.8120 7.4692 7.4692 8.1235 8.1235 10.8397 10.8397 11.3718 11.3718 11.5760 11.5760 13.6445 13.6445 13.7331 13.7331 21.8151 21.8151 22.2424 22.2424 k = 0.5000-0.4167-0.9458 ( 4478 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4797 -33.4797 -33.4432 -33.4432 -32.8659 -32.8659 -6.4441 -6.4441 -6.4052 -6.4052 5.8460 5.8460 5.9238 5.9238 6.1929 6.1929 6.7625 6.7625 7.5041 7.5041 8.1582 8.1582 10.8323 10.8323 11.3658 11.3658 11.5742 11.5742 13.6426 13.6426 13.7281 13.7281 21.7898 21.7898 22.2060 22.2060 k = 0.5000-0.4084-0.9594 ( 4476 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4799 -33.4799 -33.4428 -33.4428 -32.8660 -32.8660 -6.4520 -6.4520 -6.3982 -6.3982 5.8416 5.8416 5.9001 5.9001 6.2239 6.2239 6.7148 6.7148 7.5393 7.5393 8.1927 8.1927 10.8241 10.8241 11.3590 11.3590 11.5728 11.5728 13.6398 13.6398 13.7227 13.7227 21.7648 21.7648 22.1580 22.1580 k = 0.5000-0.4000-0.9729 ( 4470 PWs) bands (ev): -66.7315 -66.7315 -37.3560 -37.3560 -33.4800 -33.4800 -33.4423 -33.4423 -32.8660 -32.8660 -6.4604 -6.4604 -6.3915 -6.3915 5.8245 5.8245 5.8881 5.8881 6.2574 6.2574 6.6694 6.6694 7.5741 7.5741 8.2271 8.2271 10.8156 10.8156 11.3515 11.3515 11.5717 11.5717 13.6363 13.6363 13.7169 13.7169 21.7401 21.7401 22.0996 22.0996 k = 0.5000-0.3917-0.9864 ( 4468 PWs) bands (ev): -66.7316 -66.7316 -37.3559 -37.3559 -33.4802 -33.4802 -33.4416 -33.4416 -32.8661 -32.8661 -6.4689 -6.4689 -6.3852 -6.3852 5.7969 5.7969 5.8869 5.8869 6.2919 6.2919 6.6266 6.6266 7.6081 7.6081 8.2612 8.2612 10.8070 10.8070 11.3431 11.3431 11.5710 11.5710 13.6319 13.6319 13.7109 13.7109 21.7160 21.7160 22.0322 22.0322 k = 0.8110-0.2948-0.7948 ( 4468 PWs) bands (ev): -66.7316 -66.7316 -37.3559 -37.3559 -33.4802 -33.4802 -33.4416 -33.4416 -32.8661 -32.8661 -6.4689 -6.4689 -6.3852 -6.3852 5.7969 5.7969 5.8869 5.8869 6.2919 6.2919 6.6266 6.6266 7.6081 7.6081 8.2612 8.2612 10.8070 10.8070 11.3431 11.3431 11.5710 11.5710 13.6319 13.6319 13.7109 13.7109 21.7160 21.7160 22.0322 22.0322 k = 0.8062-0.2879-0.7811 ( 4472 PWs) bands (ev): -66.7316 -66.7316 -37.3557 -37.3557 -33.4804 -33.4804 -33.4409 -33.4409 -32.8661 -32.8661 -6.4775 -6.4775 -6.3796 -6.3796 5.7659 5.7659 5.8898 5.8898 6.3271 6.3271 6.5863 6.5863 7.6414 7.6414 8.2956 8.2956 10.7982 10.7982 11.3339 11.3339 11.5704 11.5704 13.6266 13.6266 13.7044 13.7044 21.6919 21.6919 21.9567 21.9567 k = 0.8015-0.2809-0.7674 ( 4476 PWs) bands (ev): -66.7317 -66.7317 -37.3554 -37.3554 -33.4806 -33.4806 -33.4400 -33.4400 -32.8662 -32.8662 -6.4861 -6.4861 -6.3749 -6.3749 5.7353 5.7353 5.8933 5.8933 6.3621 6.3621 6.5499 6.5499 7.6730 7.6730 8.3298 8.3298 10.7896 10.7896 11.3238 11.3238 11.5701 11.5701 13.6203 13.6203 13.6977 13.6977 21.6679 21.6679 21.8755 21.8755 k = 0.7967-0.2740-0.7537 ( 4472 PWs) bands (ev): -66.7318 -66.7318 -37.3551 -37.3551 -33.4807 -33.4807 -33.4390 -33.4390 -32.8663 -32.8663 -6.4945 -6.4945 -6.3711 -6.3711 5.7065 5.7065 5.8961 5.8961 6.3963 6.3963 6.5180 6.5180 7.7028 7.7028 8.3637 8.3637 10.7813 10.7813 11.3131 11.3131 11.5701 11.5701 13.6130 13.6130 13.6906 13.6906 21.6433 21.6433 21.7910 21.7910 k = 0.7919-0.2671-0.7400 ( 4472 PWs) bands (ev): -66.7319 -66.7319 -37.3548 -37.3548 -33.4808 -33.4808 -33.4380 -33.4380 -32.8664 -32.8664 -6.5027 -6.5027 -6.3682 -6.3682 5.6799 5.6799 5.8973 5.8973 6.4293 6.4293 6.4915 6.4915 7.7304 7.7304 8.3974 8.3974 10.7733 10.7733 11.3016 11.3016 11.5703 11.5703 13.6048 13.6048 13.6834 13.6834 21.6146 21.6146 21.7077 21.7077 k = 0.7871-0.2601-0.7263 ( 4468 PWs) bands (ev): -66.7321 -66.7321 -37.3544 -37.3544 -33.4808 -33.4808 -33.4369 -33.4369 -32.8666 -32.8666 -6.5108 -6.5108 -6.3664 -6.3664 5.6560 5.6560 5.8960 5.8960 6.4567 6.4567 6.4753 6.4753 7.7555 7.7555 8.4308 8.4308 10.7657 10.7657 11.2894 11.2894 11.5709 11.5709 13.5957 13.5957 13.6758 13.6758 21.5674 21.5674 21.6410 21.6410 k = 0.7823-0.2532-0.7126 ( 4470 PWs) bands (ev): -66.7322 -66.7322 -37.3540 -37.3540 -33.4808 -33.4808 -33.4357 -33.4357 -32.8667 -32.8667 -6.5187 -6.5187 -6.3656 -6.3656 5.6351 5.6351 5.8917 5.8917 6.4519 6.4519 6.4965 6.4965 7.7780 7.7780 8.4639 8.4639 10.7584 10.7584 11.2767 11.2767 11.5718 11.5718 13.5856 13.5856 13.6681 13.6681 21.4889 21.4889 21.6043 21.6043 k = 0.7775-0.2463-0.6989 ( 4466 PWs) bands (ev): -66.7324 -66.7323 -37.3535 -37.3535 -33.4806 -33.4806 -33.4345 -33.4345 -32.8669 -32.8669 -6.5264 -6.5264 -6.3658 -6.3658 5.6174 5.6174 5.8839 5.8839 6.4444 6.4444 6.5258 6.5258 7.7977 7.7977 8.4966 8.4966 10.7514 10.7514 11.2635 11.2635 11.5732 11.5732 13.5745 13.5745 13.6602 13.6602 21.3974 21.3974 21.5799 21.5799 k = 0.7728-0.2393-0.6852 ( 4470 PWs) bands (ev): -66.7325 -66.7325 -37.3529 -37.3529 -33.4804 -33.4804 -33.4333 -33.4333 -32.8670 -32.8670 -6.5338 -6.5338 -6.3672 -6.3672 5.6029 5.6029 5.8727 5.8727 6.4430 6.4430 6.5542 6.5542 7.8145 7.8145 8.5289 8.5289 10.7446 10.7446 11.2498 11.2498 11.5752 11.5752 13.5625 13.5625 13.6521 13.6521 21.3022 21.3022 21.5590 21.5590 k = 0.7680-0.2324-0.6715 ( 4476 PWs) bands (ev): -66.7327 -66.7327 -37.3524 -37.3524 -33.4800 -33.4800 -33.4320 -33.4320 -32.8672 -32.8672 -6.5410 -6.5410 -6.3697 -6.3697 5.5918 5.5918 5.8583 5.8583 6.4480 6.4480 6.5812 6.5812 7.8283 7.8283 8.5608 8.5608 10.7380 10.7380 11.2358 11.2358 11.5778 11.5778 13.5496 13.5496 13.6439 13.6439 21.2056 21.2056 21.5393 21.5393 k = 0.7632-0.2255-0.6578 ( 4472 PWs) bands (ev): -66.7329 -66.7329 -37.3517 -37.3517 -33.4796 -33.4796 -33.4307 -33.4307 -32.8674 -32.8674 -6.5480 -6.5480 -6.3733 -6.3733 5.5842 5.5842 5.8411 5.8411 6.4591 6.4591 6.6066 6.6066 7.8390 7.8390 8.5922 8.5922 10.7313 10.7313 11.2214 11.2214 11.5812 11.5812 13.5358 13.5358 13.6358 13.6358 21.1085 21.1085 21.5203 21.5203 k = 0.7584-0.2185-0.6441 ( 4474 PWs) bands (ev): -66.7331 -66.7331 -37.3510 -37.3510 -33.4790 -33.4790 -33.4294 -33.4294 -32.8676 -32.8676 -6.5547 -6.5547 -6.3781 -6.3781 5.5801 5.5801 5.8217 5.8217 6.4757 6.4757 6.6303 6.6303 7.8467 7.8467 8.6229 8.6229 10.7245 10.7245 11.2067 11.2067 11.5855 11.5855 13.5210 13.5210 13.6276 13.6276 21.0114 21.0114 21.5017 21.5017 k = 0.7536-0.2116-0.6304 ( 4472 PWs) bands (ev): -66.7334 -66.7334 -37.3503 -37.3503 -33.4784 -33.4784 -33.4280 -33.4280 -32.8678 -32.8678 -6.5612 -6.5612 -6.3840 -6.3840 5.5795 5.5795 5.8008 5.8008 6.4971 6.4971 6.6521 6.6521 7.8513 7.8513 8.6530 8.6530 10.7175 10.7175 11.1918 11.1918 11.5906 11.5906 13.5054 13.5054 13.6196 13.6196 20.9145 20.9145 21.4831 21.4831 k = 0.7488-0.2047-0.6167 ( 4474 PWs) bands (ev): -66.7336 -66.7336 -37.3495 -37.3495 -33.4776 -33.4776 -33.4267 -33.4267 -32.8681 -32.8681 -6.5674 -6.5674 -6.3910 -6.3910 5.5825 5.5825 5.7789 5.7789 6.5228 6.5228 6.6720 6.6720 7.8530 7.8530 8.6824 8.6824 10.7102 10.7102 11.1766 11.1766 11.5968 11.5968 13.4889 13.4889 13.6118 13.6118 20.8179 20.8179 21.4644 21.4644 k = 0.7440-0.1977-0.6030 ( 4482 PWs) bands (ev): -66.7339 -66.7339 -37.3487 -37.3487 -33.4767 -33.4767 -33.4253 -33.4253 -32.8683 -32.8683 -6.5733 -6.5733 -6.3992 -6.3992 5.5891 5.5891 5.7567 5.7567 6.5522 6.5522 6.6899 6.6899 7.8518 7.8518 8.7108 8.7108 10.7026 10.7026 11.1614 11.1614 11.6038 11.6038 13.4717 13.4717 13.6042 13.6042 20.7218 20.7218 21.4454 21.4454 k = 0.7393-0.1908-0.5893 ( 4482 PWs) bands (ev): -66.7342 -66.7342 -37.3478 -37.3478 -33.4757 -33.4757 -33.4239 -33.4239 -32.8686 -32.8686 -6.5789 -6.5789 -6.4085 -6.4085 5.5992 5.5992 5.7346 5.7346 6.5848 6.5848 6.7060 6.7060 7.8478 7.8478 8.7384 8.7384 10.6945 10.6945 11.1460 11.1460 11.6118 11.6118 13.4537 13.4537 13.5970 13.5970 20.6262 20.6262 21.4259 21.4259 k = 0.7345-0.1839-0.5756 ( 4482 PWs) bands (ev): -66.7345 -66.7345 -37.3469 -37.3469 -33.4745 -33.4745 -33.4225 -33.4225 -32.8689 -32.8689 -6.5843 -6.5843 -6.4189 -6.4189 5.6129 5.6129 5.7129 5.7129 6.6200 6.6200 6.7202 6.7202 7.8410 7.8410 8.7648 8.7648 10.6861 10.6861 11.1305 11.1305 11.6207 11.6207 13.4350 13.4350 13.5902 13.5902 20.5311 20.5311 21.4058 21.4058 k = 0.7297-0.1769-0.5619 ( 4486 PWs) bands (ev): -66.7348 -66.7348 -37.3459 -37.3459 -33.4733 -33.4733 -33.4211 -33.4211 -32.8692 -32.8692 -6.5894 -6.5894 -6.4304 -6.4304 5.6299 5.6299 5.6921 5.6921 6.6570 6.6570 6.7330 6.7330 7.8317 7.8317 8.7900 8.7900 10.6773 10.6773 11.1151 11.1151 11.6302 11.6302 13.4158 13.4158 13.5839 13.5839 20.4365 20.4365 21.3849 21.3849 k = 0.7249-0.1700-0.5482 ( 4484 PWs) bands (ev): -66.7351 -66.7351 -37.3449 -37.3449 -33.4720 -33.4720 -33.4197 -33.4197 -32.8694 -32.8694 -6.5943 -6.5943 -6.4429 -6.4429 5.6495 5.6495 5.6732 5.6732 6.6939 6.6939 6.7462 6.7462 7.8200 7.8200 8.8139 8.8139 10.6682 10.6682 11.0996 11.0996 11.6403 11.6403 13.3962 13.3962 13.5782 13.5782 20.3424 20.3424 21.3631 21.3631 k = 0.7201-0.1631-0.5345 ( 4488 PWs) bands (ev): -66.7354 -66.7354 -37.3438 -37.3438 -33.4706 -33.4706 -33.4183 -33.4183 -32.8698 -32.8698 -6.5988 -6.5988 -6.4565 -6.4565 5.6511 5.6511 5.6770 5.6770 6.7238 6.7238 6.7664 6.7664 7.8061 7.8061 8.8363 8.8363 10.6589 10.6589 11.0843 11.0843 11.6508 11.6508 13.3762 13.3762 13.5731 13.5731 20.2486 20.2486 21.3401 21.3401 k = 0.7153-0.1562-0.5208 ( 4484 PWs) bands (ev): -66.7358 -66.7358 -37.3427 -37.3427 -33.4691 -33.4691 -33.4168 -33.4168 -32.8701 -32.8701 -6.6031 -6.6031 -6.4710 -6.4710 5.6347 5.6347 5.7034 5.7034 6.7384 6.7384 6.8016 6.8016 7.7900 7.7900 8.8570 8.8570 10.6494 10.6494 11.0690 11.0690 11.6615 11.6615 13.3560 13.3560 13.5687 13.5687 20.1551 20.1551 21.3158 21.3158 k = 0.7105-0.1492-0.5071 ( 4484 PWs) bands (ev): -66.7361 -66.7361 -37.3415 -37.3415 -33.4675 -33.4675 -33.4153 -33.4153 -32.8704 -32.8704 -6.6072 -6.6072 -6.4864 -6.4864 5.6189 5.6189 5.7339 5.7339 6.7441 6.7441 6.8455 6.8455 7.7721 7.7721 8.8759 8.8759 10.6399 10.6399 11.0539 11.0539 11.6721 11.6721 13.3358 13.3358 13.5650 13.5650 20.0619 20.0619 21.2901 21.2901 k = 0.7058-0.1423-0.4934 ( 4484 PWs) bands (ev): -66.7365 -66.7365 -37.3403 -37.3403 -33.4658 -33.4658 -33.4138 -33.4138 -32.8707 -32.8707 -6.6110 -6.6110 -6.5028 -6.5028 5.6047 5.6047 5.7675 5.7675 6.7455 6.7455 6.8931 6.8931 7.7525 7.7525 8.8929 8.8929 10.6305 10.6305 11.0390 11.0390 11.6825 11.6825 13.3156 13.3156 13.5622 13.5622 19.9688 19.9688 21.2627 21.2627 k = 0.7010-0.1354-0.4797 ( 4478 PWs) bands (ev): -66.7369 -66.7369 -37.3391 -37.3391 -33.4641 -33.4641 -33.4123 -33.4123 -32.8711 -32.8711 -6.6146 -6.6146 -6.5199 -6.5199 5.5921 5.5921 5.8041 5.8041 6.7442 6.7442 6.9430 6.9430 7.7314 7.7314 8.9078 8.9078 10.6213 10.6213 11.0243 11.0243 11.6925 11.6925 13.2958 13.2958 13.5602 13.5602 19.8758 19.8758 21.2335 21.2335 k = 0.6962-0.1284-0.4660 ( 4484 PWs) bands (ev): -66.7373 -66.7373 -37.3379 -37.3379 -33.4623 -33.4623 -33.4107 -33.4107 -32.8714 -32.8714 -6.6180 -6.6180 -6.5377 -6.5377 5.5813 5.5813 5.8436 5.8436 6.7405 6.7405 6.9947 6.9947 7.7092 7.7092 8.9204 8.9204 10.6123 10.6123 11.0098 11.0098 11.7017 11.7017 13.2764 13.2764 13.5591 13.5591 19.7828 19.7828 21.2024 21.2024 k = 0.6914-0.1215-0.4523 ( 4486 PWs) bands (ev): -66.7377 -66.7377 -37.3366 -37.3366 -33.4605 -33.4605 -33.4091 -33.4091 -32.8718 -32.8718 -6.6213 -6.6213 -6.5562 -6.5562 5.5724 5.5724 5.8856 5.8856 6.7346 6.7346 7.0480 7.0480 7.6860 7.6860 8.9305 8.9305 10.6037 10.6037 10.9956 10.9956 11.7102 11.7102 13.2576 13.2576 13.5590 13.5590 19.6897 19.6897 21.1692 21.1692 k = 0.6866-0.1146-0.4386 ( 4498 PWs) bands (ev): -66.7381 -66.7381 -37.3353 -37.3353 -33.4587 -33.4587 -33.4074 -33.4074 -32.8722 -32.8722 -6.6247 -6.6247 -6.5750 -6.5750 5.5653 5.5653 5.9299 5.9299 6.7268 6.7268 7.1026 7.1026 7.6623 7.6623 8.9381 8.9381 10.5955 10.5955 10.9816 10.9816 11.7176 11.7176 13.2397 13.2397 13.5598 13.5598 19.5965 19.5965 21.1338 21.1338 k = 0.6818-0.1076-0.4249 ( 4502 PWs) bands (ev): -66.7385 -66.7385 -37.3340 -37.3340 -33.4568 -33.4568 -33.4057 -33.4057 -32.8726 -32.8726 -6.6285 -6.6285 -6.5938 -6.5938 5.5602 5.5602 5.9763 5.9763 6.7171 6.7171 7.1584 7.1584 7.6383 7.6383 8.9430 8.9430 10.5878 10.5878 10.9678 10.9678 11.7238 11.7238 13.2228 13.2228 13.5615 13.5615 19.5031 19.5031 21.0960 21.0960 k = 0.6770-0.1007-0.4112 ( 4502 PWs) bands (ev): -66.7390 -66.7390 -37.3326 -37.3326 -33.4550 -33.4550 -33.4040 -33.4040 -32.8729 -32.8729 -6.6346 -6.6346 -6.6106 -6.6106 5.5570 5.5570 6.0244 6.0244 6.7056 6.7056 7.2151 7.2151 7.6147 7.6147 8.9452 8.9452 10.5805 10.5805 10.9542 10.9542 11.7288 11.7288 13.2072 13.2072 13.5642 13.5642 19.4094 19.4094 21.0557 21.0557 k = 0.6723-0.0938-0.3975 ( 4498 PWs) bands (ev): -66.7394 -66.7394 -37.3312 -37.3312 -33.4531 -33.4531 -33.4021 -33.4021 -32.8733 -32.8733 -6.6469 -6.6469 -6.6215 -6.6215 5.5559 5.5559 6.0738 6.0738 6.6926 6.6926 7.2725 7.2725 7.5920 7.5920 8.9444 8.9444 10.5738 10.5738 10.9407 10.9407 11.7324 11.7324 13.1930 13.1930 13.5678 13.5678 19.3156 19.3156 21.0129 21.0129 k = 0.6675-0.0868-0.3838 ( 4486 PWs) bands (ev): -66.7398 -66.7398 -37.3298 -37.3298 -33.4513 -33.4513 -33.4002 -33.4002 -32.8737 -32.8737 -6.6653 -6.6653 -6.6265 -6.6265 5.5567 5.5567 6.1240 6.1240 6.6782 6.6782 7.3301 7.3301 7.5713 7.5713 8.9406 8.9406 10.5675 10.5675 10.9272 10.9272 11.7345 11.7345 13.1804 13.1804 13.5722 13.5722 19.2215 19.2215 20.9674 20.9674 k = 0.6627-0.0799-0.3701 ( 4490 PWs) bands (ev): -66.7403 -66.7403 -37.3284 -37.3284 -33.4495 -33.4495 -33.3983 -33.3983 -32.8741 -32.8741 -6.6861 -6.6861 -6.6293 -6.6293 5.5596 5.5596 6.1744 6.1744 6.6624 6.6624 7.3865 7.3865 7.5543 7.5543 8.9338 8.9338 10.5616 10.5616 10.9136 10.9136 11.7351 11.7351 13.1698 13.1698 13.5775 13.5775 19.1272 19.1272 20.9193 20.9193 k = 0.6579-0.0730-0.3564 ( 4476 PWs) bands (ev): -66.7407 -66.7407 -37.3270 -37.3270 -33.4478 -33.4478 -33.3962 -33.3962 -32.8745 -32.8745 -6.7078 -6.7078 -6.6313 -6.6313 5.5645 5.5645 6.2244 6.2244 6.6454 6.6454 7.4377 7.4377 7.5458 7.5458 8.9240 8.9240 10.5562 10.5562 10.8998 10.8998 11.7342 11.7342 13.1612 13.1612 13.5835 13.5835 19.0328 19.0328 20.8684 20.8684 k = 0.6531-0.0660-0.3427 ( 4472 PWs) bands (ev): -66.7412 -66.7412 -37.3256 -37.3256 -33.4461 -33.4461 -33.3941 -33.3941 -32.8749 -32.8749 -6.7300 -6.7300 -6.6328 -6.6328 5.5715 5.5715 6.2730 6.2730 6.6275 6.6275 7.4703 7.4703 7.5599 7.5599 8.9112 8.9112 10.5511 10.5511 10.8857 10.8857 11.7318 11.7318 13.1548 13.1548 13.5901 13.5901 18.9382 18.9382 20.8147 20.8147 k = 0.6483-0.0591-0.3290 ( 4482 PWs) bands (ev): -66.7416 -66.7416 -37.3242 -37.3242 -33.4445 -33.4445 -33.3919 -33.3919 -32.8753 -32.8753 -6.7525 -6.7525 -6.6340 -6.6340 5.5804 5.5804 6.3193 6.3193 6.6089 6.6089 7.4780 7.4780 7.6038 7.6038 8.8953 8.8953 10.5463 10.5463 10.8712 10.8712 11.7277 11.7277 13.1508 13.1508 13.5974 13.5974 18.8436 18.8436 20.7584 20.7584 k = 0.6436-0.0522-0.3153 ( 4478 PWs) bands (ev): -66.7420 -66.7420 -37.3228 -37.3228 -33.4429 -33.4429 -33.3897 -33.3897 -32.8756 -32.8756 -6.7752 -6.7752 -6.6349 -6.6349 5.5914 5.5914 6.3619 6.3619 6.5899 6.5899 7.4787 7.4787 7.6605 7.6605 8.8765 8.8765 10.5417 10.5417 10.8561 10.8561 11.7222 11.7222 13.1493 13.1493 13.6051 13.6051 18.7490 18.7490 20.6993 20.6993 k = 0.6388-0.0452-0.3016 ( 4484 PWs) bands (ev): -66.7425 -66.7425 -37.3214 -37.3214 -33.4414 -33.4414 -33.3873 -33.3873 -32.8760 -32.8760 -6.7980 -6.7980 -6.6357 -6.6357 5.6043 5.6043 6.3993 6.3993 6.5712 6.5712 7.4820 7.4820 7.7215 7.7215 8.8547 8.8547 10.5372 10.5372 10.8403 10.8403 11.7151 11.7151 13.1505 13.1505 13.6133 13.6133 18.6547 18.6547 20.6378 20.6378 k = 0.6340-0.0383-0.2879 ( 4486 PWs) bands (ev): -66.7429 -66.7429 -37.3200 -37.3200 -33.4400 -33.4400 -33.3849 -33.3849 -32.8764 -32.8764 -6.8207 -6.8207 -6.6363 -6.6363 5.6192 5.6192 6.4291 6.4291 6.5541 6.5541 7.4915 7.4915 7.7841 7.7841 8.8302 8.8302 10.5327 10.5327 10.8237 10.8237 11.7065 11.7065 13.1544 13.1544 13.6217 13.6217 18.5606 18.5606 20.5738 20.5738 k = 0.6292-0.0314-0.2742 ( 4476 PWs) bands (ev): -66.7434 -66.7434 -37.3186 -37.3186 -33.4387 -33.4387 -33.3825 -33.3825 -32.8768 -32.8768 -6.8434 -6.8434 -6.6367 -6.6367 5.6360 5.6360 6.4478 6.4478 6.5415 6.5415 7.5087 7.5087 7.8476 7.8476 8.8031 8.8031 10.5282 10.5282 10.8061 10.8061 11.6965 11.6965 13.1611 13.1611 13.6303 13.6303 18.4670 18.4670 20.5075 20.5075 k = 0.6244-0.0244-0.2605 ( 4478 PWs) bands (ev): -66.7438 -66.7438 -37.3172 -37.3172 -33.4375 -33.4375 -33.3800 -33.3800 -32.8772 -32.8772 -6.8659 -6.8659 -6.6370 -6.6370 5.6547 5.6547 6.4512 6.4512 6.5372 6.5372 7.5346 7.5346 7.9116 7.9116 8.7735 8.7735 10.5235 10.5235 10.7876 10.7876 11.6851 11.6851 13.1705 13.1705 13.6390 13.6390 18.3741 18.3741 20.4391 20.4391 k = 0.6196-0.0175-0.2468 ( 4480 PWs) bands (ev): -66.7442 -66.7442 -37.3158 -37.3158 -33.4364 -33.4364 -33.3774 -33.3774 -32.8776 -32.8776 -6.8882 -6.8882 -6.6371 -6.6371 5.6752 5.6752 6.4406 6.4406 6.5397 6.5397 7.5693 7.5693 7.9758 7.9758 8.7415 8.7415 10.5185 10.5185 10.7679 10.7679 11.6723 11.6723 13.1828 13.1828 13.6477 13.6477 18.2820 18.2820 20.3688 20.3688 k = 0.6148-0.0106-0.2331 ( 4470 PWs) bands (ev): -66.7447 -66.7447 -37.3145 -37.3145 -33.4353 -33.4353 -33.3749 -33.3749 -32.8779 -32.8779 -6.9101 -6.9101 -6.6371 -6.6371 5.6974 5.6974 6.4223 6.4223 6.5430 6.5430 7.6127 7.6127 8.0398 8.0398 8.7076 8.7076 10.5132 10.5132 10.7472 10.7472 11.6583 11.6583 13.1977 13.1977 13.6562 13.6562 18.1909 18.1909 20.2969 20.2969 k = 0.6101-0.0036-0.2194 ( 4466 PWs) bands (ev): -66.7451 -66.7451 -37.3132 -37.3132 -33.4343 -33.4343 -33.3723 -33.3723 -32.8783 -32.8783 -6.9317 -6.9317 -6.6371 -6.6371 5.7214 5.7214 6.4005 6.4005 6.5438 6.5438 7.6643 7.6643 8.1035 8.1035 8.6719 8.6719 10.5074 10.5074 10.7252 10.7252 11.6429 11.6429 13.2151 13.2151 13.6646 13.6646 18.1010 18.1010 20.2237 20.2237 k = 0.6053 0.0033-0.2057 ( 4472 PWs) bands (ev): -66.7455 -66.7455 -37.3119 -37.3119 -33.4334 -33.4334 -33.3697 -33.3697 -32.8786 -32.8786 -6.9529 -6.9529 -6.6369 -6.6369 5.7470 5.7470 6.3769 6.3769 6.5412 6.5412 7.7232 7.7232 8.1663 8.1663 8.6349 8.6349 10.5009 10.5009 10.7021 10.7021 11.6265 11.6265 13.2350 13.2350 13.6728 13.6728 18.0126 18.0126 20.1494 20.1494 k = 0.6005 0.0102-0.1920 ( 4464 PWs) bands (ev): -66.7459 -66.7459 -37.3107 -37.3107 -33.4326 -33.4326 -33.3671 -33.3671 -32.8790 -32.8790 -6.9736 -6.9736 -6.6367 -6.6367 5.7741 5.7741 6.3523 6.3523 6.5353 6.5353 7.7884 7.7884 8.2276 8.2276 8.5976 8.5976 10.4938 10.4938 10.6779 10.6779 11.6089 11.6089 13.2572 13.2572 13.6806 13.6806 17.9259 17.9259 20.0743 20.0743 k = 0.5957 0.0172-0.1783 ( 4460 PWs) bands (ev): -66.7463 -66.7463 -37.3095 -37.3095 -33.4318 -33.4318 -33.3645 -33.3645 -32.8793 -32.8793 -6.9938 -6.9938 -6.6364 -6.6364 5.8027 5.8027 6.3273 6.3273 6.5268 6.5268 7.8589 7.8589 8.2857 8.2857 8.5614 8.5614 10.4859 10.4859 10.6526 10.6526 11.5902 11.5902 13.2814 13.2814 13.6880 13.6880 17.8412 17.8412 19.9989 19.9989 k = 0.5909 0.0241-0.1646 ( 4462 PWs) bands (ev): -66.7466 -66.7466 -37.3083 -37.3083 -33.4311 -33.4311 -33.3620 -33.3620 -32.8796 -32.8796 -7.0133 -7.0133 -6.6361 -6.6361 5.8326 5.8326 6.3020 6.3020 6.5162 6.5162 7.9337 7.9337 8.3362 8.3362 8.5310 8.5310 10.4770 10.4770 10.6262 10.6262 11.5707 11.5707 13.3074 13.3074 13.6949 13.6949 17.7586 17.7586 19.9234 19.9234 k = 0.5861 0.0310-0.1509 ( 4466 PWs) bands (ev): -66.7470 -66.7470 -37.3071 -37.3071 -33.4305 -33.4305 -33.3595 -33.3595 -32.8799 -32.8799 -7.0322 -7.0322 -6.6357 -6.6357 5.8637 5.8637 6.2768 6.2768 6.5042 6.5042 8.0119 8.0119 8.3667 8.3667 8.5190 8.5190 10.4671 10.4671 10.5989 10.5989 11.5503 11.5503 13.3349 13.3349 13.7014 13.7014 17.6785 17.6785 19.8482 19.8482 k = 0.5813 0.0380-0.1372 ( 4468 PWs) bands (ev): -66.7473 -66.7473 -37.3061 -37.3061 -33.4299 -33.4299 -33.3571 -33.3571 -32.8802 -32.8802 -7.0504 -7.0504 -6.6353 -6.6353 5.8958 5.8958 6.2519 6.2519 6.4913 6.4913 8.0926 8.0926 8.3620 8.3620 8.5408 8.5408 10.4560 10.4560 10.5708 10.5708 11.5291 11.5291 13.3637 13.3637 13.7073 13.7073 17.6010 17.6010 19.7738 19.7738 k = 0.5766 0.0449-0.1234 ( 4470 PWs) bands (ev): -66.7477 -66.7477 -37.3050 -37.3050 -33.4294 -33.4294 -33.3548 -33.3548 -32.8805 -32.8805 -7.0678 -7.0678 -6.6348 -6.6348 5.9288 5.9288 6.2274 6.2274 6.4779 6.4779 8.1744 8.1744 8.3334 8.3334 8.5857 8.5857 10.4436 10.4436 10.5420 10.5420 11.5075 11.5075 13.3934 13.3934 13.7127 13.7127 17.5265 17.5265 19.7006 19.7006 k = 0.5718 0.0518-0.1097 ( 4472 PWs) bands (ev): -66.7480 -66.7480 -37.3040 -37.3040 -33.4289 -33.4289 -33.3525 -33.3525 -32.8808 -32.8808 -7.0844 -7.0844 -6.6343 -6.6343 5.9624 5.9624 6.2036 6.2036 6.4645 6.4645 8.2495 8.2495 8.3033 8.3033 8.6388 8.6388 10.4298 10.4298 10.5126 10.5126 11.4853 11.4853 13.4237 13.4237 13.7176 13.7176 17.4552 17.4552 19.6288 19.6288 k = 0.5670 0.0588-0.0960 ( 4476 PWs) bands (ev): -66.7483 -66.7483 -37.3031 -37.3031 -33.4284 -33.4284 -33.3503 -33.3503 -32.8811 -32.8811 -7.1001 -7.1001 -6.6339 -6.6339 5.9964 5.9964 6.1806 6.1806 6.4512 6.4512 8.2422 8.2422 8.3528 8.3528 8.6941 8.6941 10.4143 10.4143 10.4829 10.4829 11.4630 11.4630 13.4542 13.4542 13.7220 13.7220 17.3873 17.3873 19.5591 19.5591 k = 0.5622 0.0657-0.0823 ( 4474 PWs) bands (ev): -66.7486 -66.7486 -37.3022 -37.3022 -33.4280 -33.4280 -33.3482 -33.3482 -32.8813 -32.8813 -7.1150 -7.1150 -6.6334 -6.6334 6.0304 6.0304 6.1588 6.1588 6.4383 6.4383 8.2003 8.2003 8.4356 8.4356 8.7495 8.7495 10.3971 10.3971 10.4530 10.4530 11.4406 11.4406 13.4846 13.4846 13.7259 13.7259 17.3231 17.3231 19.4917 19.4917 k = 0.5574 0.0726-0.0686 ( 4476 PWs) bands (ev): -66.7488 -66.7488 -37.3014 -37.3014 -33.4277 -33.4277 -33.3463 -33.3463 -32.8815 -32.8815 -7.1289 -7.1289 -6.6329 -6.6329 6.0636 6.0636 6.1388 6.1388 6.4261 6.4261 8.1562 8.1562 8.5198 8.5198 8.8041 8.8041 10.3780 10.3780 10.4232 10.4232 11.4185 11.4185 13.5145 13.5145 13.7294 13.7294 17.2627 17.2627 19.4271 19.4271 k = 0.5526 0.0796-0.0549 ( 4474 PWs) bands (ev): -66.7491 -66.7491 -37.3006 -37.3006 -33.4274 -33.4274 -33.3444 -33.3444 -32.8817 -32.8817 -7.1418 -7.1418 -6.6325 -6.6325 6.0920 6.0920 6.1245 6.1245 6.4146 6.4146 8.1121 8.1121 8.6035 8.6035 8.8573 8.8573 10.3569 10.3569 10.3939 10.3939 11.3967 11.3967 13.5435 13.5435 13.7325 13.7325 17.2064 17.2064 19.3658 19.3658 k = 0.5479 0.0865-0.0412 ( 4472 PWs) bands (ev): -66.7493 -66.7493 -37.2999 -37.2999 -33.4271 -33.4271 -33.3427 -33.3427 -32.8819 -32.8819 -7.1537 -7.1537 -6.6320 -6.6320 6.0922 6.0922 6.1388 6.1388 6.4041 6.4041 8.0689 8.0689 8.6855 8.6855 8.9087 8.9087 10.3340 10.3340 10.3651 10.3651 11.3757 11.3757 13.5712 13.5712 13.7354 13.7354 17.1544 17.1544 19.3080 19.3080 k = 0.5431 0.0934-0.0275 ( 4476 PWs) bands (ev): -66.7495 -66.7495 -37.2992 -37.2992 -33.4268 -33.4268 -33.3412 -33.3412 -32.8821 -32.8821 -7.1646 -7.1646 -6.6316 -6.6316 6.0775 6.0775 6.1683 6.1683 6.3947 6.3947 8.0271 8.0271 8.7652 8.7652 8.9577 8.9577 10.3096 10.3096 10.3370 10.3370 11.3556 11.3556 13.5972 13.5972 13.7381 13.7381 17.1068 17.1068 19.2544 19.2544 k = 0.5383 0.1003-0.0138 ( 4472 PWs) bands (ev): -66.7497 -66.7497 -37.2986 -37.2986 -33.4266 -33.4266 -33.3397 -33.3397 -32.8823 -32.8823 -7.1745 -7.1745 -6.6312 -6.6312 6.0625 6.0625 6.1979 6.1979 6.3865 6.3865 7.9874 7.9874 8.8417 8.8417 9.0041 9.0041 10.2844 10.2844 10.3094 10.3094 11.3368 11.3368 13.6210 13.6210 13.7408 13.7408 17.0638 17.0638 19.2051 19.2051 k = 0.5335 0.1073-0.0001 ( 4476 PWs) bands (ev): -66.7499 -66.7499 -37.2981 -37.2981 -33.4264 -33.4264 -33.3385 -33.3385 -32.8824 -32.8824 -7.1832 -7.1832 -6.6309 -6.6309 6.0488 6.0488 6.2256 6.2256 6.3798 6.3798 7.9504 7.9504 8.9140 8.9140 9.0474 9.0474 10.2592 10.2592 10.2821 10.2821 11.3195 11.3195 13.6423 13.6423 13.7436 13.7436 17.0256 17.0256 19.1607 19.1607 k = 0.5287 0.1142 0.0136 ( 4488 PWs) bands (ev): -66.7500 -66.7500 -37.2977 -37.2977 -33.4263 -33.4263 -33.3373 -33.3373 -32.8826 -32.8826 -7.1908 -7.1908 -6.6305 -6.6305 6.0366 6.0366 6.2503 6.2503 6.3747 6.3747 7.9166 7.9166 8.9809 8.9809 9.0872 9.0872 10.2351 10.2351 10.2555 10.2555 11.3039 11.3039 13.6605 13.6605 13.7469 13.7469 16.9922 16.9922 19.1214 19.1214 k = 0.5239 0.1211 0.0273 ( 4498 PWs) bands (ev): -66.7502 -66.7502 -37.2973 -37.2973 -33.4262 -33.4262 -33.3364 -33.3364 -32.8827 -32.8827 -7.1973 -7.1973 -6.6303 -6.6303 6.0261 6.0261 6.2713 6.2713 6.3718 6.3718 7.8867 7.8867 9.0410 9.0410 9.1230 9.1230 10.2126 10.2126 10.2301 10.2301 11.2903 11.2903 13.6753 13.6753 13.7506 13.7506 16.9638 16.9638 19.0875 19.0875 k = 0.5191 0.1281 0.0410 ( 4498 PWs) bands (ev): -66.7503 -66.7503 -37.2970 -37.2970 -33.4261 -33.4261 -33.3356 -33.3356 -32.8828 -32.8828 -7.2026 -7.2026 -6.6301 -6.6301 6.0174 6.0174 6.2876 6.2876 6.3711 6.3711 7.8612 7.8612 9.0925 9.0925 9.1548 9.1548 10.1925 10.1925 10.2069 10.2069 11.2789 11.2789 13.6866 13.6866 13.7548 13.7548 16.9405 16.9405 19.0594 19.0594 k = 0.5144 0.1350 0.0547 ( 4498 PWs) bands (ev): -66.7503 -66.7503 -37.2967 -37.2967 -33.4260 -33.4260 -33.3350 -33.3350 -32.8828 -32.8828 -7.2067 -7.2067 -6.6299 -6.6299 6.0106 6.0106 6.2988 6.2988 6.3727 6.3727 7.8406 7.8406 9.1333 9.1333 9.1822 9.1822 10.1753 10.1753 10.1872 10.1872 11.2699 11.2699 13.6946 13.6946 13.7590 13.7590 16.9222 16.9222 19.0373 19.0373 k = 0.5096 0.1419 0.0684 ( 4500 PWs) bands (ev): -66.7504 -66.7504 -37.2965 -37.2965 -33.4259 -33.4259 -33.3346 -33.3346 -32.8829 -32.8829 -7.2097 -7.2097 -6.6297 -6.6297 6.0057 6.0057 6.3056 6.3056 6.3754 6.3754 7.8256 7.8256 9.1619 9.1619 9.2046 9.2046 10.1615 10.1615 10.1726 10.1726 11.2634 11.2634 13.6998 13.6998 13.7627 13.7627 16.9092 16.9092 19.0214 19.0214 k = 0.5048 0.1489 0.0821 ( 4504 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3343 -33.3343 -32.8829 -32.8829 -7.2115 -7.2115 -6.6297 -6.6297 6.0027 6.0027 6.3090 6.3090 6.3779 6.3779 7.8164 7.8164 9.1782 9.1782 9.2198 9.2198 10.1524 10.1524 10.1639 10.1639 11.2594 11.2594 13.7026 13.7026 13.7652 13.7652 16.9013 16.9013 19.0118 19.0118 k = 0.5000 0.1558 0.0958 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3342 -33.3342 -32.8829 -32.8829 -7.2121 -7.2121 -6.6296 -6.6296 6.0017 6.0017 6.3100 6.3100 6.3789 6.3789 7.8133 7.8133 9.1835 9.1835 9.2252 9.2252 10.1491 10.1491 10.1610 10.1610 11.2581 11.2581 13.7035 13.7035 13.7661 13.7661 16.8987 16.8987 19.0086 19.0086 k = 0.5000 0.1558 0.0958 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3342 -33.3342 -32.8829 -32.8829 -7.2121 -7.2121 -6.6296 -6.6296 6.0017 6.0017 6.3100 6.3100 6.3789 6.3789 7.8133 7.8133 9.1835 9.1835 9.2252 9.2252 10.1491 10.1491 10.1610 10.1610 11.2581 11.2581 13.7035 13.7035 13.7661 13.7661 16.8987 16.8987 19.0086 19.0086 k = 0.4848 0.1511 0.0929 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3342 -33.3342 -32.8829 -32.8829 -7.2131 -7.2131 -6.6285 -6.6285 5.9975 5.9975 6.3098 6.3098 6.3788 6.3788 7.8187 7.8187 9.1838 9.1838 9.2255 9.2255 10.1492 10.1492 10.1609 10.1609 11.2583 11.2583 13.7034 13.7034 13.7660 13.7660 16.8961 16.8961 19.0073 19.0073 k = 0.4697 0.1464 0.0900 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4258 -33.4258 -33.3342 -33.3342 -32.8830 -32.8830 -7.2160 -7.2160 -6.6251 -6.6251 5.9849 5.9849 6.3094 6.3094 6.3782 6.3782 7.8350 7.8350 9.1847 9.1847 9.2264 9.2264 10.1492 10.1492 10.1609 10.1609 11.2587 11.2587 13.7033 13.7033 13.7658 13.7658 16.8884 16.8884 19.0037 19.0037 k = 0.4545 0.1416 0.0871 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4258 -33.4258 -33.3342 -33.3342 -32.8830 -32.8830 -7.2208 -7.2208 -6.6196 -6.6196 5.9644 5.9644 6.3087 6.3087 6.3774 6.3774 7.8614 7.8614 9.1862 9.1862 9.2279 9.2279 10.1492 10.1492 10.1607 10.1607 11.2595 11.2595 13.7031 13.7031 13.7654 13.7654 16.8756 16.8756 18.9976 18.9976 k = 0.4394 0.1369 0.0842 ( 4499 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4257 -33.4257 -33.3342 -33.3342 -32.8831 -32.8831 -7.2272 -7.2272 -6.6120 -6.6120 5.9369 5.9369 6.3077 6.3077 6.3762 6.3762 7.8972 7.8972 9.1884 9.1884 9.2300 9.2300 10.1492 10.1492 10.1606 10.1606 11.2606 11.2606 13.7027 13.7027 13.7650 13.7650 16.8579 16.8579 18.9891 18.9891 k = 0.4242 0.1322 0.0813 ( 4487 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4257 -33.4257 -33.3342 -33.3342 -32.8831 -32.8831 -7.2352 -7.2352 -6.6026 -6.6026 5.9032 5.9032 6.3065 6.3065 6.3747 6.3747 7.9416 7.9416 9.1911 9.1911 9.2326 9.2326 10.1492 10.1492 10.1603 10.1603 11.2620 11.2620 13.7023 13.7023 13.7643 13.7643 16.8356 16.8356 18.9782 18.9782 k = 0.4091 0.1275 0.0784 ( 4490 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4256 -33.4256 -33.3342 -33.3342 -32.8832 -32.8832 -7.2446 -7.2446 -6.5916 -6.5916 5.8644 5.8644 6.3050 6.3050 6.3730 6.3730 7.9933 7.9933 9.1943 9.1943 9.2358 9.2358 10.1491 10.1491 10.1600 10.1600 11.2636 11.2636 13.7019 13.7019 13.7636 13.7636 16.8088 16.8088 18.9649 18.9649 k = 0.3939 0.1228 0.0755 ( 4490 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4255 -33.4255 -33.3342 -33.3342 -32.8833 -32.8833 -7.2550 -7.2550 -6.5793 -6.5793 5.8213 5.8213 6.3033 6.3033 6.3710 6.3710 8.0514 8.0514 9.1981 9.1981 9.2395 9.2395 10.1491 10.1491 10.1597 10.1597 11.2653 11.2653 13.7013 13.7013 13.7627 13.7627 16.7780 16.7780 18.9492 18.9492 k = 0.3788 0.1180 0.0726 ( 4490 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4254 -33.4254 -33.3342 -33.3342 -32.8835 -32.8835 -7.2664 -7.2664 -6.5657 -6.5657 5.7751 5.7751 6.3014 6.3014 6.3688 6.3688 8.1148 8.1148 9.2024 9.2024 9.2437 9.2437 10.1491 10.1491 10.1593 10.1593 11.2672 11.2672 13.7007 13.7007 13.7617 13.7617 16.7434 16.7434 18.9313 18.9313 k = 0.3636 0.1133 0.0697 ( 4484 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4252 -33.4252 -33.3342 -33.3342 -32.8836 -32.8836 -7.2784 -7.2784 -6.5512 -6.5512 5.7265 5.7265 6.2992 6.2992 6.3664 6.3664 8.1826 8.1826 9.2071 9.2071 9.2483 9.2483 10.1490 10.1490 10.1588 10.1588 11.2691 11.2691 13.7000 13.7000 13.7607 13.7607 16.7054 16.7054 18.9112 18.9112 k = 0.3485 0.1086 0.0668 ( 4478 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4251 -33.4251 -33.3342 -33.3342 -32.8837 -32.8837 -7.2910 -7.2910 -6.5360 -6.5360 5.6762 5.6762 6.2969 6.2969 6.3639 6.3639 8.2541 8.2541 9.2123 9.2123 9.2534 9.2534 10.1489 10.1489 10.1582 10.1582 11.2710 11.2710 13.6993 13.6993 13.7595 13.7595 16.6645 16.6645 18.8891 18.8891 k = 0.3333 0.1039 0.0639 ( 4475 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4249 -33.4249 -33.3342 -33.3342 -32.8839 -32.8839 -7.3040 -7.3040 -6.5202 -6.5202 5.6250 5.6250 6.2945 6.2945 6.3611 6.3611 8.3283 8.3283 9.2178 9.2178 9.2588 9.2588 10.1487 10.1487 10.1576 10.1576 11.2729 11.2729 13.6986 13.6986 13.7583 13.7583 16.6210 16.6210 18.8651 18.8651 k = 0.3182 0.0991 0.0610 ( 4475 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4248 -33.4248 -33.3342 -33.3342 -32.8841 -32.8841 -7.3171 -7.3171 -6.5041 -6.5041 5.5735 5.5735 6.2919 6.2919 6.3583 6.3583 8.4046 8.4046 9.2237 9.2237 9.2646 9.2646 10.1485 10.1485 10.1569 10.1569 11.2746 11.2746 13.6978 13.6978 13.7570 13.7570 16.5754 16.5754 18.8393 18.8393 k = 0.3030 0.0944 0.0581 ( 4481 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4246 -33.4246 -33.3342 -33.3342 -32.8843 -32.8843 -7.3304 -7.3304 -6.4878 -6.4878 5.5221 5.5221 6.2892 6.2892 6.3553 6.3553 8.4824 8.4824 9.2299 9.2299 9.2707 9.2707 10.1482 10.1482 10.1561 10.1561 11.2760 11.2760 13.6970 13.6970 13.7557 13.7557 16.5280 16.5280 18.8121 18.8121 k = 0.2879 0.0897 0.0551 ( 4481 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4244 -33.4244 -33.3342 -33.3342 -32.8844 -32.8844 -7.3435 -7.3435 -6.4714 -6.4714 5.4713 5.4713 6.2864 6.2864 6.3523 6.3523 8.5611 8.5611 9.2364 9.2364 9.2770 9.2770 10.1479 10.1479 10.1552 10.1552 11.2772 11.2772 13.6961 13.6961 13.7544 13.7544 16.4795 16.4795 18.7837 18.7837 k = 0.2727 0.0850 0.0522 ( 4481 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4243 -33.4243 -33.3342 -33.3342 -32.8846 -32.8846 -7.3565 -7.3565 -6.4551 -6.4551 5.4214 5.4214 6.2835 6.2835 6.3492 6.3492 8.6402 8.6402 9.2430 9.2430 9.2834 9.2834 10.1476 10.1476 10.1543 10.1543 11.2780 11.2780 13.6953 13.6953 13.7530 13.7530 16.4301 16.4301 18.7542 18.7542 k = 0.2576 0.0803 0.0493 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4241 -33.4241 -33.3342 -33.3342 -32.8848 -32.8848 -7.3692 -7.3692 -6.4391 -6.4391 5.3728 5.3728 6.2807 6.2807 6.3460 6.3460 8.7190 8.7190 9.2498 9.2498 9.2900 9.2900 10.1471 10.1471 10.1533 10.1533 11.2783 11.2783 13.6945 13.6945 13.7517 13.7517 16.3803 16.3803 18.7241 18.7241 k = 0.2424 0.0755 0.0464 ( 4463 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4239 -33.4239 -33.3342 -33.3342 -32.8850 -32.8850 -7.3815 -7.3815 -6.4233 -6.4233 5.3258 5.3258 6.2778 6.2778 6.3429 6.3429 8.7973 8.7973 9.2566 9.2566 9.2967 9.2967 10.1466 10.1466 10.1522 10.1522 11.2782 11.2782 13.6937 13.6937 13.7503 13.7503 16.3305 16.3305 18.6936 18.6936 k = 0.2273 0.0708 0.0435 ( 4466 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4237 -33.4237 -33.3342 -33.3342 -32.8852 -32.8852 -7.3934 -7.3934 -6.4081 -6.4081 5.2806 5.2806 6.2749 6.2749 6.3398 6.3398 8.8743 8.8743 9.2636 9.2636 9.3034 9.3034 10.1461 10.1461 10.1511 10.1511 11.2775 11.2775 13.6929 13.6929 13.7490 13.7490 16.2812 16.2812 18.6630 18.6630 k = 0.2121 0.0661 0.0406 ( 4466 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4235 -33.4235 -33.3342 -33.3342 -32.8854 -32.8854 -7.4048 -7.4048 -6.3933 -6.3933 5.2375 5.2375 6.2721 6.2721 6.3368 6.3368 8.9498 8.9498 9.2705 9.2705 9.3100 9.3100 10.1455 10.1455 10.1499 10.1499 11.2762 11.2762 13.6922 13.6922 13.7477 13.7477 16.2328 16.2328 18.6326 18.6326 k = 0.1970 0.0614 0.0377 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4234 -33.4234 -33.3342 -33.3342 -32.8856 -32.8856 -7.4157 -7.4157 -6.3792 -6.3792 5.1966 5.1966 6.2694 6.2694 6.3338 6.3338 9.0230 9.0230 9.2775 9.2775 9.3166 9.3166 10.1448 10.1448 10.1488 10.1488 11.2742 11.2742 13.6914 13.6914 13.7464 13.7464 16.1857 16.1857 18.6027 18.6027 k = 0.1818 0.0567 0.0348 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4232 -33.4232 -33.3342 -33.3342 -32.8858 -32.8858 -7.4259 -7.4259 -6.3658 -6.3658 5.1581 5.1581 6.2667 6.2667 6.3309 6.3309 9.0934 9.0934 9.2847 9.2847 9.3229 9.3229 10.1441 10.1441 10.1476 10.1476 11.2717 11.2717 13.6908 13.6908 13.7452 13.7452 16.1402 16.1402 18.5736 18.5736 k = 0.1667 0.0519 0.0319 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4231 -33.4231 -33.3342 -33.3342 -32.8859 -32.8859 -7.4355 -7.4355 -6.3532 -6.3532 5.1222 5.1222 6.2642 6.2642 6.3282 6.3282 9.1601 9.1601 9.2923 9.2923 9.3290 9.3290 10.1433 10.1433 10.1463 10.1463 11.2686 11.2686 13.6901 13.6901 13.7441 13.7441 16.0968 16.0968 18.5456 18.5456 k = 0.1515 0.0472 0.0290 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4229 -33.4229 -33.3342 -33.3342 -32.8861 -32.8861 -7.4444 -7.4444 -6.3415 -6.3415 5.0890 5.0890 6.2618 6.2618 6.3256 6.3256 9.2212 9.2212 9.3018 9.3018 9.3349 9.3349 10.1425 10.1425 10.1452 10.1452 11.2649 11.2649 13.6895 13.6895 13.7430 13.7430 16.0559 16.0559 18.5191 18.5191 k = 0.1364 0.0425 0.0261 ( 4466 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4228 -33.4228 -33.3342 -33.3342 -32.8862 -32.8862 -7.4525 -7.4525 -6.3307 -6.3307 5.0586 5.0586 6.2596 6.2596 6.3232 6.3232 9.2696 9.2696 9.3196 9.3196 9.3404 9.3404 10.1417 10.1417 10.1440 10.1440 11.2609 11.2609 13.6890 13.6890 13.7420 13.7420 16.0177 16.0177 18.4942 18.4942 k = 0.1212 0.0378 0.0232 ( 4466 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4226 -33.4226 -33.3342 -33.3342 -32.8864 -32.8864 -7.4598 -7.4598 -6.3209 -6.3209 5.0311 5.0311 6.2575 6.2575 6.3210 6.3210 9.2926 9.2926 9.3454 9.3454 9.3579 9.3579 10.1408 10.1408 10.1429 10.1429 11.2565 11.2565 13.6885 13.6885 13.7411 13.7411 15.9825 15.9825 18.4712 18.4712 k = 0.1061 0.0330 0.0203 ( 4472 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4225 -33.4225 -33.3342 -33.3342 -32.8865 -32.8865 -7.4664 -7.4664 -6.3121 -6.3121 5.0067 5.0067 6.2557 6.2557 6.3190 6.3190 9.3020 9.3020 9.3500 9.3500 9.4044 9.4044 10.1400 10.1400 10.1419 10.1419 11.2519 11.2519 13.6881 13.6881 13.7403 13.7403 15.9508 15.9508 18.4503 18.4503 k = 0.0909 0.0283 0.0174 ( 4475 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4224 -33.4224 -33.3342 -33.3342 -32.8866 -32.8866 -7.4721 -7.4721 -6.3044 -6.3044 4.9854 4.9854 6.2541 6.2541 6.3173 6.3173 9.3079 9.3079 9.3542 9.3542 9.4484 9.4484 10.1392 10.1392 10.1409 10.1409 11.2474 11.2474 13.6877 13.6877 13.7396 13.7396 15.9227 15.9227 18.4318 18.4318 k = 0.0758 0.0236 0.0145 ( 4469 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4223 -33.4223 -33.3342 -33.3342 -32.8867 -32.8867 -7.4770 -7.4770 -6.2978 -6.2978 4.9672 4.9672 6.2527 6.2527 6.3158 6.3158 9.3124 9.3124 9.3577 9.3577 9.4874 9.4874 10.1384 10.1384 10.1401 10.1401 11.2431 11.2431 13.6874 13.6874 13.7390 13.7390 15.8984 15.8984 18.4159 18.4159 k = 0.0606 0.0189 0.0116 ( 4484 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4222 -33.4222 -33.3342 -33.3342 -32.8868 -32.8868 -7.4810 -7.4810 -6.2924 -6.2924 4.9523 4.9523 6.2515 6.2515 6.3145 6.3145 9.3158 9.3158 9.3607 9.3607 9.5202 9.5202 10.1378 10.1378 10.1394 10.1394 11.2391 11.2391 13.6871 13.6871 13.7385 13.7385 15.8783 15.8783 18.4026 18.4026 k = 0.0455 0.0142 0.0087 ( 4490 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4222 -33.4222 -33.3342 -33.3342 -32.8869 -32.8869 -7.4841 -7.4841 -6.2881 -6.2881 4.9406 4.9406 6.2506 6.2506 6.3135 6.3135 9.3184 9.3184 9.3630 9.3630 9.5464 9.5464 10.1372 10.1372 10.1388 10.1388 11.2358 11.2358 13.6869 13.6869 13.7381 13.7381 15.8625 15.8625 18.3921 18.3921 k = 0.0303 0.0094 0.0058 ( 4484 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3342 -33.3342 -32.8869 -32.8869 -7.4863 -7.4863 -6.2850 -6.2850 4.9322 4.9322 6.2499 6.2499 6.3128 6.3128 9.3203 9.3203 9.3647 9.3647 9.5654 9.5654 10.1368 10.1368 10.1384 10.1384 11.2333 11.2333 13.6867 13.6867 13.7378 13.7378 15.8511 15.8511 18.3846 18.3846 k = 0.0152 0.0047 0.0029 ( 4484 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3342 -33.3342 -32.8870 -32.8870 -7.4877 -7.4877 -6.2832 -6.2832 4.9272 4.9272 6.2495 6.2495 6.3124 6.3124 9.3214 9.3214 9.3657 9.3657 9.5769 9.5769 10.1365 10.1365 10.1382 10.1382 11.2318 11.2318 13.6867 13.6867 13.7377 13.7377 15.8442 15.8442 18.3800 18.3800 k = 0.0000 0.0000 0.0000 ( 4487 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3342 -33.3342 -32.8870 -32.8870 -7.4881 -7.4881 -6.2826 -6.2826 4.9255 4.9255 6.2494 6.2494 6.3122 6.3122 9.3218 9.3218 9.3661 9.3661 9.5808 9.5808 10.1364 10.1364 10.1381 10.1381 11.2312 11.2312 13.6866 13.6866 13.7376 13.7376 15.8419 15.8419 18.3785 18.3785 k = 0.0000 0.0000 0.0000 ( 4487 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3342 -33.3342 -32.8870 -32.8870 -7.4881 -7.4881 -6.2826 -6.2826 4.9255 4.9255 6.2494 6.2494 6.3122 6.3122 9.3218 9.3218 9.3661 9.3661 9.5808 9.5808 10.1364 10.1364 10.1381 10.1381 11.2312 11.2312 13.6866 13.6866 13.7376 13.7376 15.8419 15.8419 18.3785 18.3785 k = 0.0048-0.0069-0.0137 ( 4485 PWs) bands (ev): -66.7504 -66.7504 -37.2962 -37.2962 -33.4221 -33.4221 -33.3343 -33.3343 -32.8870 -32.8870 -7.4875 -7.4875 -6.2827 -6.2827 4.9266 4.9266 6.2493 6.2493 6.3121 6.3121 9.3165 9.3165 9.3605 9.3605 9.5806 9.5806 10.1404 10.1404 10.1419 10.1419 11.2317 11.2317 13.6856 13.6856 13.7366 13.7366 15.8450 15.8450 18.3829 18.3829 k = 0.0096-0.0139-0.0274 ( 4487 PWs) bands (ev): -66.7504 -66.7504 -37.2963 -37.2963 -33.4222 -33.4222 -33.3345 -33.3345 -32.8869 -32.8869 -7.4857 -7.4857 -6.2830 -6.2830 4.9298 4.9298 6.2490 6.2490 6.3119 6.3119 9.3003 9.3003 9.3448 9.3448 9.5799 9.5799 10.1512 10.1512 10.1537 10.1537 11.2330 11.2330 13.6822 13.6822 13.7336 13.7336 15.8543 15.8543 18.3959 18.3959 k = 0.0144-0.0208-0.0411 ( 4491 PWs) bands (ev): -66.7503 -66.7503 -37.2965 -37.2965 -33.4222 -33.4222 -33.3350 -33.3350 -32.8869 -32.8869 -7.4827 -7.4827 -6.2836 -6.2836 4.9351 4.9351 6.2483 6.2483 6.3117 6.3117 9.2728 9.2728 9.3209 9.3209 9.5791 9.5791 10.1678 10.1678 10.1727 10.1727 11.2353 11.2353 13.6764 13.6764 13.7291 13.7291 15.8697 15.8697 18.4176 18.4176 k = 0.0191-0.0277-0.0548 ( 4489 PWs) bands (ev): -66.7503 -66.7503 -37.2968 -37.2968 -33.4223 -33.4223 -33.3356 -33.3356 -32.8868 -32.8868 -7.4785 -7.4785 -6.2844 -6.2844 4.9426 4.9426 6.2470 6.2470 6.3118 6.3118 9.2342 9.2342 9.2910 9.2910 9.5783 9.5783 10.1895 10.1895 10.1970 10.1970 11.2385 11.2385 13.6679 13.6679 13.7236 13.7236 15.8911 15.8911 18.4476 18.4476 k = 0.0239-0.0347-0.0685 ( 4483 PWs) bands (ev): -66.7502 -66.7502 -37.2971 -37.2971 -33.4225 -33.4225 -33.3364 -33.3364 -32.8866 -32.8866 -7.4731 -7.4731 -6.2854 -6.2854 4.9521 4.9521 6.2447 6.2447 6.3126 6.3126 9.1858 9.1858 9.2563 9.2563 9.5777 9.5777 10.2153 10.2153 10.2251 10.2251 11.2425 11.2425 13.6564 13.6564 13.7174 13.7174 15.9184 15.9184 18.4858 18.4858 k = 0.0287-0.0416-0.0822 ( 4483 PWs) bands (ev): -66.7500 -66.7500 -37.2975 -37.2975 -33.4226 -33.4226 -33.3374 -33.3374 -32.8865 -32.8865 -7.4666 -7.4666 -6.2866 -6.2866 4.9637 4.9637 6.2414 6.2414 6.3142 6.3142 9.1295 9.1295 9.2173 9.2173 9.5770 9.5770 10.2441 10.2441 10.2557 10.2557 11.2475 11.2475 13.6421 13.6421 13.7110 13.7110 15.9516 15.9516 18.5319 18.5319 k = 0.0335-0.0485-0.0959 ( 4481 PWs) bands (ev): -66.7499 -66.7499 -37.2979 -37.2979 -33.4228 -33.4228 -33.3385 -33.3385 -32.8863 -32.8863 -7.4589 -7.4589 -6.2880 -6.2880 4.9774 4.9774 6.2367 6.2367 6.3170 6.3170 9.0669 9.0669 9.1745 9.1745 9.5762 9.5762 10.2749 10.2749 10.2880 10.2880 11.2533 11.2533 13.6254 13.6254 13.7043 13.7043 15.9904 15.9904 18.5853 18.5853 k = 0.0383-0.0555-0.1096 ( 4487 PWs) bands (ev): -66.7497 -66.7497 -37.2985 -37.2985 -33.4230 -33.4230 -33.3398 -33.3398 -32.8861 -32.8861 -7.4500 -7.4500 -6.2897 -6.2897 4.9932 4.9932 6.2308 6.2308 6.3209 6.3209 8.9994 8.9994 9.1285 9.1285 9.5751 9.5751 10.3065 10.3065 10.3217 10.3217 11.2601 11.2601 13.6067 13.6067 13.6972 13.6972 16.0346 16.0346 18.6459 18.6459 k = 0.0431-0.0624-0.1233 ( 4481 PWs) bands (ev): -66.7495 -66.7495 -37.2990 -37.2990 -33.4233 -33.4233 -33.3412 -33.3412 -32.8859 -32.8859 -7.4401 -7.4401 -6.2915 -6.2915 5.0109 5.0109 6.2237 6.2237 6.3258 6.3258 8.9279 8.9279 9.0797 9.0797 9.5731 9.5731 10.3378 10.3378 10.3566 10.3566 11.2677 11.2677 13.5868 13.5868 13.6898 13.6898 16.0840 16.0840 18.7132 18.7132 k = 0.0478-0.0693-0.1370 ( 4479 PWs) bands (ev): -66.7493 -66.7493 -37.2997 -37.2997 -33.4236 -33.4236 -33.3428 -33.3428 -32.8857 -32.8857 -7.4290 -7.4290 -6.2936 -6.2936 5.0307 5.0307 6.2157 6.2157 6.3317 6.3317 8.8533 8.8533 9.0285 9.0285 9.5702 9.5702 10.3680 10.3680 10.3927 10.3927 11.2761 11.2761 13.5661 13.5661 13.6819 13.6819 16.1384 16.1384 18.7866 18.7866 k = 0.0526-0.0762-0.1507 ( 4487 PWs) bands (ev): -66.7491 -66.7491 -37.3004 -37.3004 -33.4239 -33.4239 -33.3445 -33.3445 -32.8854 -32.8854 -7.4168 -7.4168 -6.2958 -6.2958 5.0523 5.0523 6.2069 6.2069 6.3385 6.3385 8.7763 8.7763 8.9753 8.9753 9.5658 9.5658 10.3969 10.3969 10.4296 10.4296 11.2855 11.2855 13.5453 13.5453 13.6735 13.6735 16.1976 16.1976 18.8659 18.8659 k = 0.0574-0.0832-0.1644 ( 4481 PWs) bands (ev): -66.7489 -66.7489 -37.3012 -37.3012 -33.4243 -33.4243 -33.3463 -33.3463 -32.8851 -32.8851 -7.4036 -7.4036 -6.2982 -6.2982 5.0759 5.0759 6.1974 6.1974 6.3458 6.3458 8.6974 8.6974 8.9205 8.9205 9.5597 9.5597 10.4241 10.4241 10.4672 10.4672 11.2956 11.2956 13.5250 13.5250 13.6644 13.6644 16.2612 16.2612 18.9506 18.9506 k = 0.0622-0.0901-0.1781 ( 4485 PWs) bands (ev): -66.7486 -66.7486 -37.3020 -37.3020 -33.4247 -33.4247 -33.3483 -33.3483 -32.8848 -32.8848 -7.3894 -7.3894 -6.3008 -6.3008 5.1014 5.1014 6.1877 6.1877 6.3536 6.3536 8.6172 8.6172 8.8643 8.8643 9.5516 9.5516 10.4496 10.4496 10.5052 10.5052 11.3065 11.3065 13.5056 13.5056 13.6548 13.6548 16.3290 16.3290 19.0403 19.0403 k = 0.0670-0.0970-0.1918 ( 4485 PWs) bands (ev): -66.7483 -66.7483 -37.3029 -37.3029 -33.4252 -33.4252 -33.3504 -33.3504 -32.8845 -32.8845 -7.3742 -7.3742 -6.3036 -6.3036 5.1286 5.1286 6.1777 6.1777 6.3616 6.3616 8.5361 8.5361 8.8070 8.8070 9.5411 9.5411 10.4735 10.4735 10.5432 10.5432 11.3182 11.3182 13.4877 13.4877 13.6446 13.6446 16.4007 16.4007 19.1345 19.1345 k = 0.0718-0.1040-0.2055 ( 4485 PWs) bands (ev): -66.7480 -66.7480 -37.3039 -37.3039 -33.4257 -33.4257 -33.3525 -33.3525 -32.8841 -32.8841 -7.3581 -7.3581 -6.3066 -6.3066 5.1577 5.1577 6.1676 6.1676 6.3698 6.3698 8.4545 8.4545 8.7488 8.7488 9.5280 9.5280 10.4957 10.4957 10.5813 10.5813 11.3307 11.3307 13.4717 13.4717 13.6338 13.6338 16.4760 16.4760 19.2329 19.2329 k = 0.0766-0.1109-0.2192 ( 4491 PWs) bands (ev): -66.7477 -66.7477 -37.3049 -37.3049 -33.4263 -33.4263 -33.3548 -33.3548 -32.8838 -32.8838 -7.3410 -7.3410 -6.3097 -6.3097 5.1884 5.1884 6.1577 6.1577 6.3779 6.3779 8.3729 8.3729 8.6898 8.6898 9.5121 9.5121 10.5162 10.5162 10.6191 10.6191 11.3438 11.3438 13.4580 13.4580 13.6225 13.6225 16.5547 16.5547 19.3351 19.3351 k = 0.0813-0.1178-0.2329 ( 4477 PWs) bands (ev): -66.7473 -66.7473 -37.3059 -37.3059 -33.4269 -33.4269 -33.3572 -33.3572 -32.8834 -32.8834 -7.3230 -7.3230 -6.3129 -6.3129 5.2209 5.2209 6.1481 6.1481 6.3856 6.3856 8.2916 8.2917 8.6303 8.6303 9.4932 9.4932 10.5352 10.5352 10.6566 10.6566 11.3576 11.3576 13.4469 13.4469 13.6106 13.6106 16.6365 16.6365 19.4407 19.4407 k = 0.0861-0.1248-0.2466 ( 4477 PWs) bands (ev): -66.7470 -66.7470 -37.3070 -37.3070 -33.4276 -33.4276 -33.3596 -33.3596 -32.8830 -32.8830 -7.3042 -7.3042 -6.3163 -6.3163 5.2549 5.2549 6.1389 6.1389 6.3928 6.3928 8.2111 8.2111 8.5704 8.5704 9.4712 9.4712 10.5527 10.5527 10.6937 10.6937 11.3719 11.3719 13.4387 13.4387 13.5984 13.5984 16.7211 16.7211 19.5494 19.5494 k = 0.0909-0.1317-0.2603 ( 4473 PWs) bands (ev): -66.7466 -66.7466 -37.3081 -37.3081 -33.4283 -33.4283 -33.3621 -33.3621 -32.8826 -32.8826 -7.2846 -7.2846 -6.3198 -6.3198 5.2905 5.2905 6.1301 6.1301 6.3993 6.3993 8.1317 8.1317 8.5102 8.5102 9.4458 9.4458 10.5687 10.5687 10.7302 10.7302 11.3867 11.3867 13.4335 13.4335 13.5858 13.5858 16.8082 16.8082 19.6610 19.6610 k = 0.0957-0.1386-0.2740 ( 4473 PWs) bands (ev): -66.7463 -66.7463 -37.3093 -37.3093 -33.4291 -33.4291 -33.3646 -33.3646 -32.8821 -32.8821 -7.2643 -7.2643 -6.3235 -6.3235 5.3275 5.3275 6.1220 6.1220 6.4047 6.4047 8.0538 8.0538 8.4498 8.4498 9.4171 9.4171 10.5834 10.5834 10.7661 10.7661 11.4020 11.4020 13.4315 13.4315 13.5730 13.5730 16.8975 16.8975 19.7749 19.7749 k = 0.1005-0.1456-0.2877 ( 4473 PWs) bands (ev): -66.7459 -66.7459 -37.3105 -37.3105 -33.4300 -33.4300 -33.3671 -33.3671 -32.8817 -32.8817 -7.2432 -7.2432 -6.3272 -6.3272 5.3660 5.3660 6.1147 6.1147 6.4087 6.4087 7.9778 7.9778 8.3895 8.3895 9.3851 9.3851 10.5969 10.5969 10.8014 10.8014 11.4177 11.4177 13.4327 13.4327 13.5600 13.5600 16.9889 16.9889 19.8911 19.8911 k = 0.1053-0.1525-0.3014 ( 4477 PWs) bands (ev): -66.7455 -66.7455 -37.3118 -37.3118 -33.4309 -33.4309 -33.3697 -33.3697 -32.8812 -32.8812 -7.2215 -7.2215 -6.3311 -6.3311 5.4058 5.4058 6.1081 6.1081 6.4112 6.4112 7.9041 7.9041 8.3293 8.3293 9.3498 9.3498 10.6093 10.6093 10.8359 10.8359 11.4336 11.4336 13.4370 13.4370 13.5471 13.5471 17.0821 17.0821 20.0092 20.0092 k = 0.1100-0.1594-0.3151 ( 4479 PWs) bands (ev): -66.7451 -66.7451 -37.3131 -37.3131 -33.4320 -33.4320 -33.3723 -33.3723 -32.8808 -32.8808 -7.1992 -7.1992 -6.3350 -6.3350 5.4468 5.4468 6.1025 6.1025 6.4116 6.4116 7.8331 7.8331 8.2693 8.2693 9.3113 9.3113 10.6206 10.6206 10.8695 10.8695 11.4498 11.4498 13.4442 13.4442 13.5346 13.5346 17.1768 17.1768 20.1289 20.1289 k = 0.1148-0.1664-0.3288 ( 4483 PWs) bands (ev): -66.7447 -66.7447 -37.3144 -37.3144 -33.4331 -33.4331 -33.3748 -33.3748 -32.8803 -32.8803 -7.1763 -7.1763 -6.3390 -6.3390 5.4890 5.4890 6.0978 6.0978 6.4098 6.4098 7.7653 7.7653 8.2097 8.2097 9.2697 9.2697 10.6311 10.6311 10.9023 10.9023 11.4661 11.4661 13.4535 13.4535 13.5231 13.5231 17.2729 17.2729 20.2501 20.2501 k = 0.1196-0.1733-0.3425 ( 4481 PWs) bands (ev): -66.7442 -66.7442 -37.3157 -37.3157 -33.4343 -33.4343 -33.3774 -33.3774 -32.8798 -32.8798 -7.1529 -7.1529 -6.3431 -6.3431 5.5323 5.5323 6.0942 6.0942 6.4053 6.4053 7.7010 7.7010 8.1505 8.1505 9.2251 9.2251 10.6407 10.6407 10.9341 10.9341 11.4824 11.4824 13.4631 13.4631 13.5144 13.5144 17.3702 17.3702 20.3723 20.3723 k = 0.1244-0.1802-0.3562 ( 4483 PWs) bands (ev): -66.7438 -66.7438 -37.3171 -37.3171 -33.4356 -33.4356 -33.3799 -33.3799 -32.8793 -32.8793 -7.1291 -7.1291 -6.3472 -6.3472 5.5766 5.5766 6.0916 6.0916 6.3979 6.3979 7.6406 7.6406 8.0919 8.0919 9.1777 9.1777 10.6497 10.6497 10.9650 10.9650 11.4986 11.4986 13.4681 13.4681 13.5134 13.5134 17.4685 17.4685 20.4955 20.4955 k = 0.1292-0.1872-0.3699 ( 4487 PWs) bands (ev): -66.7434 -66.7434 -37.3185 -37.3185 -33.4369 -33.4369 -33.3823 -33.3823 -32.8788 -32.8788 -7.1048 -7.1048 -6.3513 -6.3513 5.6218 5.6218 6.0902 6.0902 6.3873 6.3873 7.5844 7.5844 8.0340 8.0340 9.1278 9.1278 10.6580 10.6580 10.9949 10.9949 11.5146 11.5146 13.4643 13.4643 13.5241 13.5241 17.5677 17.5677 20.6193 20.6193 k = 0.1340-0.1941-0.3836 ( 4481 PWs) bands (ev): -66.7429 -66.7429 -37.3199 -37.3199 -33.4384 -33.4384 -33.3847 -33.3847 -32.8783 -32.8783 -7.0803 -7.0803 -6.3555 -6.3555 5.6678 5.6678 6.0898 6.0898 6.3733 6.3733 7.5327 7.5327 7.9769 7.9769 9.0754 9.0754 10.6658 10.6658 11.0237 11.0237 11.5303 11.5303 13.4553 13.4553 13.5428 13.5428 17.6675 17.6675 20.7435 20.7435 k = 0.1388-0.2010-0.3973 ( 4485 PWs) bands (ev): -66.7425 -66.7425 -37.3213 -37.3213 -33.4399 -33.4399 -33.3871 -33.3871 -32.8778 -32.8778 -7.0554 -7.0554 -6.3596 -6.3596 5.7143 5.7143 6.0906 6.0906 6.3558 6.3558 7.4857 7.4857 7.9208 7.9208 9.0210 9.0210 10.6733 10.6733 11.0515 11.0515 11.5457 11.5457 13.4447 13.4447 13.5657 13.5657 17.7680 17.7680 20.8679 20.8679 k = 0.1435-0.2079-0.4110 ( 4481 PWs) bands (ev): -66.7420 -66.7420 -37.3227 -37.3227 -33.4415 -33.4415 -33.3894 -33.3894 -32.8773 -32.8773 -7.0303 -7.0303 -6.3638 -6.3638 5.7613 5.7613 6.0924 6.0924 6.3350 6.3350 7.4432 7.4432 7.8657 7.8657 8.9646 8.9646 10.6804 10.6804 11.0783 11.0783 11.5605 11.5605 13.4338 13.4338 13.5913 13.5913 17.8689 17.8689 20.9922 20.9922 k = 0.1483-0.2149-0.4247 ( 4481 PWs) bands (ev): -66.7416 -66.7416 -37.3241 -37.3241 -33.4432 -33.4432 -33.3916 -33.3916 -32.8768 -32.8768 -7.0051 -7.0051 -6.3680 -6.3680 5.8086 5.8086 6.0953 6.0953 6.3110 6.3110 7.4053 7.4053 7.8118 7.8118 8.9065 8.9065 10.6873 10.6873 11.1040 11.1040 11.5747 11.5747 13.4232 13.4232 13.6188 13.6188 17.9703 17.9703 21.1162 21.1162 k = 0.1531-0.2218-0.4384 ( 4481 PWs) bands (ev): -66.7412 -66.7412 -37.3255 -37.3255 -33.4450 -33.4450 -33.3937 -33.3937 -32.8763 -32.8763 -6.9798 -6.9798 -6.3721 -6.3721 5.8557 5.8557 6.0993 6.0993 6.2844 6.2844 7.3717 7.3717 7.7592 7.7592 8.8470 8.8470 10.6941 10.6941 11.1286 11.1286 11.5882 11.5882 13.4130 13.4130 13.6477 13.6477 18.0719 18.0719 21.2396 21.2396 k = 0.1579-0.2287-0.4521 ( 4489 PWs) bands (ev): -66.7407 -66.7407 -37.3269 -37.3269 -33.4468 -33.4468 -33.3958 -33.3958 -32.8758 -32.8758 -6.9544 -6.9544 -6.3762 -6.3762 5.9021 5.9021 6.1041 6.1041 6.2560 6.2560 7.3421 7.3421 7.7081 7.7081 8.7863 8.7863 10.7008 10.7008 11.1521 11.1521 11.6009 11.6009 13.4036 13.4036 13.6776 13.6776 18.1738 18.1738 21.3621 21.3621 k = 0.1627-0.2357-0.4658 ( 4491 PWs) bands (ev): -66.7403 -66.7403 -37.3284 -37.3284 -33.4487 -33.4487 -33.3978 -33.3978 -32.8754 -32.8754 -6.9290 -6.9290 -6.3802 -6.3802 5.9468 5.9468 6.1098 6.1098 6.2272 6.2272 7.3160 7.3160 7.6587 7.6587 8.7245 8.7245 10.7075 10.7075 11.1746 11.1746 11.6127 11.6127 13.3950 13.3950 13.7082 13.7082 18.2760 18.2760 21.4834 21.4834 k = 0.1675-0.2426-0.4795 ( 4487 PWs) bands (ev): -66.7398 -66.7398 -37.3298 -37.3298 -33.4506 -33.4506 -33.3997 -33.3997 -32.8749 -32.8749 -6.9037 -6.9037 -6.3841 -6.3841 5.9872 5.9872 6.1163 6.1163 6.2008 6.2008 7.2930 7.2930 7.6110 7.6110 8.6621 8.6621 10.7142 10.7142 11.1960 11.1960 11.6234 11.6234 13.3873 13.3873 13.7391 13.7391 18.3783 18.3783 21.6032 21.6032 k = 0.1722-0.2495-0.4932 ( 4485 PWs) bands (ev): -66.7394 -66.7394 -37.3311 -37.3311 -33.4525 -33.4525 -33.4016 -33.4016 -32.8744 -32.8744 -6.8786 -6.8786 -6.3880 -6.3880 6.0175 6.0175 6.1237 6.1237 6.1829 6.1829 7.2725 7.2725 7.5652 7.5652 8.5991 8.5991 10.7210 10.7210 11.2164 11.2164 11.6332 11.6332 13.3805 13.3805 13.7700 13.7700 18.4809 18.4809 21.7211 21.7211 k = 0.1770-0.2565-0.5069 ( 4485 PWs) bands (ev): -66.7390 -66.7390 -37.3325 -37.3325 -33.4545 -33.4545 -33.4034 -33.4034 -32.8739 -32.8739 -6.8536 -6.8536 -6.3918 -6.3918 6.0271 6.0271 6.1326 6.1326 6.1836 6.1836 7.2542 7.2542 7.5217 7.5217 8.5357 8.5357 10.7279 10.7279 11.2357 11.2357 11.6417 11.6417 13.3748 13.3748 13.8006 13.8006 18.5836 18.5836 21.8367 21.8367 k = 0.1818-0.2634-0.5206 ( 4481 PWs) bands (ev): -66.7385 -66.7385 -37.3339 -37.3339 -33.4565 -33.4565 -33.4052 -33.4052 -32.8734 -32.8734 -6.8289 -6.8289 -6.3955 -6.3955 6.0134 6.0134 6.1418 6.1418 6.2070 6.2070 7.2375 7.2375 7.4805 7.4805 8.4723 8.4723 10.7349 10.7349 11.2540 11.2540 11.6492 11.6492 13.3702 13.3702 13.8306 13.8306 18.6866 18.6866 21.9495 21.9495 k = 0.1866-0.2703-0.5343 ( 4483 PWs) bands (ev): -66.7381 -66.7381 -37.3352 -37.3352 -33.4584 -33.4584 -33.4068 -33.4068 -32.8729 -32.8729 -6.8046 -6.8046 -6.3990 -6.3990 5.9866 5.9866 6.1503 6.1503 6.2438 6.2438 7.2221 7.2221 7.4419 7.4419 8.4089 8.4089 10.7421 10.7421 11.2713 11.2713 11.6554 11.6554 13.3667 13.3667 13.8596 13.8596 18.7899 18.7899 22.0591 22.0591 k = 0.1914-0.2773-0.5480 ( 4483 PWs) bands (ev): -66.7377 -66.7377 -37.3365 -37.3365 -33.4604 -33.4604 -33.4085 -33.4085 -32.8725 -32.8725 -6.7806 -6.7806 -6.4025 -6.4025 5.9546 5.9546 6.1585 6.1585 6.2859 6.2859 7.2077 7.2077 7.4061 7.4061 8.3457 8.3457 10.7494 10.7494 11.2875 11.2875 11.6604 11.6604 13.3644 13.3644 13.8875 13.8875 18.8935 18.8935 22.1647 22.1647 k = 0.1962-0.2842-0.5617 ( 4479 PWs) bands (ev): -66.7373 -66.7373 -37.3378 -37.3378 -33.4622 -33.4622 -33.4101 -33.4101 -32.8720 -32.8720 -6.7570 -6.7570 -6.4058 -6.4058 5.9207 5.9207 6.1664 6.1664 6.3299 6.3299 7.1942 7.1942 7.3733 7.3733 8.2830 8.2830 10.7569 10.7569 11.3028 11.3028 11.6642 11.6642 13.3631 13.3631 13.9139 13.9139 18.9974 18.9974 22.2658 22.2658 k = 0.2009-0.2911-0.5754 ( 4479 PWs) bands (ev): -66.7369 -66.7369 -37.3391 -37.3391 -33.4641 -33.4641 -33.4117 -33.4117 -32.8716 -32.8716 -6.7340 -6.7340 -6.4089 -6.4089 5.8868 5.8868 6.1736 6.1736 6.3739 6.3739 7.1813 7.1813 7.3437 7.3437 8.2208 8.2208 10.7644 10.7644 11.3170 11.3170 11.6668 11.6668 13.3630 13.3630 13.9387 13.9387 19.1018 19.1018 22.3615 22.3615 k = 0.2057-0.2981-0.5891 ( 4487 PWs) bands (ev): -66.7365 -66.7365 -37.3403 -37.3403 -33.4659 -33.4659 -33.4132 -33.4132 -32.8712 -32.8712 -6.7114 -6.7114 -6.4119 -6.4119 5.8536 5.8536 6.1799 6.1799 6.4172 6.4172 7.1692 7.1692 7.3176 7.3176 8.1594 8.1594 10.7721 10.7721 11.3303 11.3303 11.6683 11.6683 13.3639 13.3639 13.9616 13.9616 19.2068 19.2068 22.4511 22.4511 k = 0.2105-0.3050-0.6028 ( 4483 PWs) bands (ev): -66.7361 -66.7361 -37.3415 -37.3415 -33.4676 -33.4676 -33.4147 -33.4147 -32.8708 -32.8708 -6.6895 -6.6895 -6.4147 -6.4147 5.8217 5.8217 6.1850 6.1850 6.4590 6.4590 7.1579 7.1579 7.2952 7.2952 8.0990 8.0990 10.7798 10.7798 11.3425 11.3425 11.6687 11.6687 13.3659 13.3659 13.9825 13.9825 19.3123 19.3123 22.5334 22.5334 k = 0.2153-0.3119-0.6165 ( 4481 PWs) bands (ev): -66.7358 -66.7358 -37.3426 -37.3426 -33.4692 -33.4692 -33.4162 -33.4162 -32.8704 -32.8704 -6.6683 -6.6683 -6.4174 -6.4174 5.7916 5.7916 6.1887 6.1887 6.4986 6.4986 7.1476 7.1476 7.2766 7.2766 8.0398 8.0398 10.7874 10.7874 11.3538 11.3538 11.6681 11.6681 13.3689 13.3689 14.0011 14.0011 19.4185 19.4185 22.6075 22.6075 k = 0.2201-0.3188-0.6302 ( 4481 PWs) bands (ev): -66.7354 -66.7354 -37.3437 -37.3437 -33.4708 -33.4708 -33.4177 -33.4177 -32.8700 -32.8700 -6.6477 -6.6477 -6.4199 -6.4199 5.7634 5.7634 6.1907 6.1907 6.5354 6.5354 7.1387 7.1387 7.2619 7.2619 7.9818 7.9818 10.7951 10.7951 11.3641 11.3641 11.6667 11.6667 13.3729 13.3729 14.0174 14.0174 19.5255 19.5255 22.6723 22.6723 k = 0.2249-0.3258-0.6439 ( 4477 PWs) bands (ev): -66.7351 -66.7351 -37.3448 -37.3448 -33.4723 -33.4723 -33.4191 -33.4191 -32.8696 -32.8696 -6.6279 -6.6279 -6.4221 -6.4221 5.7376 5.7376 6.1909 6.1909 6.5684 6.5684 7.1316 7.1316 7.2514 7.2514 7.9255 7.9255 10.8025 10.8025 11.3734 11.3734 11.6645 11.6645 13.3777 13.3777 14.0311 14.0311 19.6333 19.6333 22.7267 22.7267 k = 0.2297-0.3327-0.6576 ( 4477 PWs) bands (ev): -66.7348 -66.7348 -37.3458 -37.3458 -33.4736 -33.4736 -33.4206 -33.4206 -32.8693 -32.8693 -6.6088 -6.6088 -6.4242 -6.4242 5.7143 5.7143 6.1890 6.1890 6.5969 6.5969 7.1269 7.1269 7.2450 7.2450 7.8710 7.8710 10.8098 10.8098 11.3817 11.3817 11.6616 11.6616 13.3833 13.3833 14.0422 14.0422 19.7421 19.7421 22.7699 22.7699 k = 0.2344-0.3396-0.6713 ( 4475 PWs) bands (ev): -66.7345 -66.7345 -37.3468 -37.3468 -33.4749 -33.4749 -33.4220 -33.4220 -32.8689 -32.8689 -6.5906 -6.5906 -6.4261 -6.4261 5.6935 5.6935 6.1851 6.1851 6.6198 6.6198 7.1252 7.1252 7.2426 7.2426 7.8187 7.8187 10.8168 10.8168 11.3891 11.3891 11.6582 11.6582 13.3897 13.3897 14.0506 14.0506 19.8519 19.8519 22.8013 22.8013 k = 0.2392-0.3466-0.6850 ( 4479 PWs) bands (ev): -66.7342 -66.7342 -37.3478 -37.3478 -33.4760 -33.4760 -33.4234 -33.4234 -32.8686 -32.8686 -6.5733 -6.5733 -6.4278 -6.4278 5.6756 5.6756 6.1792 6.1792 6.6363 6.6363 7.1272 7.1272 7.2437 7.2437 7.7691 7.7691 10.8235 10.8235 11.3956 11.3956 11.6544 11.6544 13.3969 13.3969 14.0563 14.0563 19.9628 19.9628 22.8208 22.8208 k = 0.2440-0.3535-0.6987 ( 4479 PWs) bands (ev): -66.7339 -66.7339 -37.3486 -37.3486 -33.4771 -33.4771 -33.4248 -33.4248 -32.8683 -32.8683 -6.5569 -6.5569 -6.4292 -6.4292 5.6605 5.6605 6.1714 6.1714 6.6457 6.6457 7.1333 7.1333 7.2476 7.2476 7.7229 7.7229 10.8298 10.8298 11.4011 11.4011 11.6503 11.6503 13.4046 13.4046 14.0592 14.0592 20.0749 20.0749 22.8288 22.8288 k = 0.2488-0.3604-0.7124 ( 4477 PWs) bands (ev): -66.7336 -66.7336 -37.3495 -37.3495 -33.4780 -33.4780 -33.4262 -33.4262 -32.8680 -32.8680 -6.5414 -6.5414 -6.4304 -6.4304 5.6484 5.6484 6.1619 6.1619 6.6478 6.6478 7.1436 7.1436 7.2532 7.2532 7.6810 7.6810 10.8356 10.8356 11.4057 11.4057 11.6460 11.6460 13.4130 13.4130 14.0593 14.0593 20.1881 20.1881 22.8261 22.8261 k = 0.2536-0.3674-0.7261 ( 4473 PWs) bands (ev): -66.7334 -66.7334 -37.3503 -37.3503 -33.4788 -33.4788 -33.4276 -33.4276 -32.8678 -32.8678 -6.5269 -6.5269 -6.4314 -6.4314 5.6394 5.6394 6.1509 6.1509 6.6427 6.6427 7.1579 7.1579 7.2589 7.2589 7.6449 7.6449 10.8410 10.8410 11.4093 11.4093 11.6416 11.6416 13.4220 13.4220 14.0567 14.0567 20.3026 20.3026 22.8139 22.8139 k = 0.2584-0.3743-0.7398 ( 4471 PWs) bands (ev): -66.7331 -66.7331 -37.3510 -37.3510 -33.4794 -33.4794 -33.4289 -33.4289 -32.8675 -32.8675 -6.5134 -6.5134 -6.4321 -6.4321 5.6334 5.6334 6.1386 6.1386 6.6311 6.6311 7.1752 7.1752 7.2626 7.2626 7.6164 7.6164 10.8458 10.8458 11.4121 11.4121 11.6372 11.6372 13.4316 13.4316 14.0513 14.0513 20.4182 20.4182 22.7934 22.7934 k = 0.2631-0.3812-0.7535 ( 4477 PWs) bands (ev): -66.7329 -66.7329 -37.3517 -37.3517 -33.4800 -33.4800 -33.4303 -33.4303 -32.8673 -32.8673 -6.5010 -6.5010 -6.4326 -6.4326 5.6306 5.6306 6.1254 6.1254 6.6137 6.6137 7.1946 7.1946 7.2621 7.2621 7.5978 7.5978 10.8501 10.8501 11.4141 11.4141 11.6329 11.6329 13.4416 13.4416 14.0433 14.0433 20.5351 20.5351 22.7661 22.7661 k = 0.2679-0.3882-0.7672 ( 4485 PWs) bands (ev): -66.7327 -66.7327 -37.3523 -37.3523 -33.4805 -33.4805 -33.4316 -33.4316 -32.8671 -32.8671 -6.4896 -6.4896 -6.4327 -6.4327 5.6309 5.6309 6.1114 6.1114 6.5914 6.5914 7.2135 7.2135 7.2570 7.2570 7.5909 7.5909 10.8538 10.8538 11.4152 11.4152 11.6286 11.6286 13.4522 13.4522 14.0327 14.0327 20.6532 20.6532 22.7328 22.7328 k = 0.2727-0.3951-0.7809 ( 4487 PWs) bands (ev): -66.7325 -66.7325 -37.3529 -37.3529 -33.4808 -33.4808 -33.4329 -33.4329 -32.8669 -32.8669 -6.4794 -6.4794 -6.4326 -6.4326 5.6343 5.6343 6.0970 6.0970 6.5650 6.5650 7.2215 7.2215 7.2561 7.2561 7.5960 7.5960 10.8570 10.8570 11.4155 11.4155 11.6245 11.6245 13.4632 13.4632 14.0197 14.0197 20.7724 20.7724 22.6945 22.6945 k = 0.2775-0.4020-0.7946 ( 4485 PWs) bands (ev): -66.7324 -66.7324 -37.3535 -37.3535 -33.4810 -33.4810 -33.4342 -33.4342 -32.8667 -32.8667 -6.4704 -6.4704 -6.4320 -6.4320 5.6409 5.6409 6.0825 6.0825 6.5352 6.5352 7.2066 7.2066 7.2718 7.2718 7.6117 7.6117 10.8596 10.8596 11.4151 11.4151 11.6206 11.6206 13.4748 13.4748 14.0044 14.0044 20.8926 20.8926 22.6518 22.6518 k = 0.2823-0.4090-0.8083 ( 4485 PWs) bands (ev): -66.7322 -66.7322 -37.3540 -37.3540 -33.4812 -33.4812 -33.4354 -33.4354 -32.8666 -32.8666 -6.4627 -6.4627 -6.4310 -6.4310 5.6506 5.6506 6.0680 6.0680 6.5025 6.5025 7.1813 7.1813 7.2928 7.2928 7.6361 7.6361 10.8617 10.8617 11.4140 11.4140 11.6167 11.6167 13.4869 13.4869 13.9871 13.9871 21.0138 21.0138 22.6050 22.6050 k = 0.2871-0.4159-0.8220 ( 4481 PWs) bands (ev): -66.7321 -66.7321 -37.3544 -37.3544 -33.4812 -33.4812 -33.4366 -33.4366 -32.8664 -32.8664 -6.4563 -6.4563 -6.4294 -6.4294 5.6632 5.6632 6.0537 6.0537 6.4675 6.4675 7.1517 7.1517 7.3142 7.3142 7.6671 7.6671 10.8633 10.8633 11.4122 11.4122 11.6131 11.6131 13.4994 13.4994 13.9678 13.9678 21.1358 21.1358 22.5543 22.5543 k = 0.2919-0.4228-0.8357 ( 4479 PWs) bands (ev): -66.7319 -66.7319 -37.3548 -37.3548 -33.4812 -33.4812 -33.4377 -33.4377 -32.8663 -32.8663 -6.4512 -6.4512 -6.4273 -6.4273 5.6787 5.6787 6.0400 6.0400 6.4307 6.4307 7.1200 7.1200 7.3348 7.3348 7.7029 7.7029 10.8643 10.8643 11.4098 11.4098 11.6095 11.6095 13.5124 13.5124 13.9469 13.9469 21.2583 21.2583 22.4998 22.4998 k = 0.2966-0.4298-0.8494 ( 4481 PWs) bands (ev): -66.7318 -66.7318 -37.3551 -37.3551 -33.4811 -33.4811 -33.4388 -33.4388 -32.8662 -32.8662 -6.4474 -6.4474 -6.4248 -6.4248 5.6968 5.6968 6.0269 6.0269 6.3925 6.3925 7.0873 7.0873 7.3542 7.3542 7.7425 7.7425 10.8648 10.8648 11.4069 11.4069 11.6059 11.6059 13.5260 13.5260 13.9245 13.9245 21.3813 21.3813 22.4412 22.4412 k = 0.3014-0.4367-0.8631 ( 4479 PWs) bands (ev): -66.7317 -66.7317 -37.3554 -37.3554 -33.4809 -33.4809 -33.4398 -33.4398 -32.8661 -32.8661 -6.4445 -6.4445 -6.4222 -6.4222 5.7174 5.7174 6.0146 6.0146 6.3534 6.3534 7.0545 7.0545 7.3720 7.3720 7.7849 7.7849 10.8647 10.8647 11.4035 11.4035 11.6025 11.6025 13.5400 13.5400 13.9010 13.9010 21.5044 21.5044 22.3785 22.3785 k = 0.3062-0.4436-0.8768 ( 4479 PWs) bands (ev): -66.7316 -66.7316 -37.3557 -37.3557 -33.4807 -33.4807 -33.4407 -33.4407 -32.8660 -32.8660 -6.4423 -6.4423 -6.4197 -6.4197 5.7399 5.7399 6.0034 6.0034 6.3140 6.3140 7.0218 7.0218 7.3882 7.3882 7.8294 7.8294 10.8641 10.8641 11.3997 11.3997 11.5990 11.5990 13.5545 13.5545 13.8766 13.8766 21.6273 21.6273 22.3114 22.3114 k = 0.3110-0.4505-0.8905 ( 4479 PWs) bands (ev): -66.7316 -66.7316 -37.3559 -37.3559 -33.4805 -33.4805 -33.4415 -33.4415 -32.8660 -32.8660 -6.4405 -6.4405 -6.4175 -6.4175 5.7638 5.7638 5.9934 5.9934 6.2751 6.2751 6.9896 6.9896 7.4024 7.4024 7.8755 7.8755 10.8628 10.8628 11.3955 11.3955 11.5955 11.5955 13.5695 13.5695 13.8516 13.8516 21.7496 21.7496 22.2397 22.2397 k = 0.3158-0.4575-0.9042 ( 4479 PWs) bands (ev): -66.7315 -66.7315 -37.3560 -37.3560 -33.4802 -33.4802 -33.4422 -33.4422 -32.8659 -32.8659 -6.4390 -6.4390 -6.4157 -6.4157 5.7880 5.7880 5.9847 5.9847 6.2377 6.2377 6.9582 6.9582 7.4147 7.4147 7.9226 7.9226 10.8608 10.8608 11.3912 11.3912 11.5919 11.5919 13.5850 13.5850 13.8263 13.8263 21.8704 21.8704 22.1639 22.1639 k = 0.3206-0.4644-0.9179 ( 4477 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4800 -33.4800 -33.4427 -33.4427 -32.8659 -32.8659 -6.4378 -6.4378 -6.4145 -6.4145 5.8107 5.8107 5.9777 5.9777 6.2034 6.2034 6.9276 6.9276 7.4250 7.4250 7.9705 7.9705 10.8579 10.8579 11.3867 11.3867 11.5883 11.5883 13.6008 13.6008 13.8012 13.8012 21.9841 21.9841 22.0890 22.0890 k = 0.3253-0.4713-0.9316 ( 4477 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4798 -33.4798 -33.4431 -33.4431 -32.8659 -32.8659 -6.4369 -6.4369 -6.4136 -6.4136 5.8294 5.8294 5.9723 5.9723 6.1751 6.1751 6.8980 6.8980 7.4334 7.4334 8.0187 8.0187 10.8539 10.8539 11.3823 11.3823 11.5845 11.5845 13.6169 13.6169 13.7766 13.7766 21.9820 21.9820 22.1233 22.1233 k = 0.3301-0.4783-0.9453 ( 4475 PWs) bands (ev): -66.7314 -66.7314 -37.3563 -37.3563 -33.4797 -33.4797 -33.4434 -33.4434 -32.8659 -32.8659 -6.4362 -6.4362 -6.4132 -6.4132 5.8406 5.8406 5.9681 5.9681 6.1569 6.1569 6.8694 6.8694 7.4397 7.4397 8.0669 8.0669 10.8487 10.8487 11.3780 11.3780 11.5808 11.5808 13.6330 13.6330 13.7530 13.7530 21.8940 21.8940 22.2365 22.2365 k = 0.3349-0.4852-0.9590 ( 4475 PWs) bands (ev): -66.7314 -66.7314 -37.3563 -37.3563 -33.4797 -33.4797 -33.4434 -33.4434 -32.8659 -32.8659 -6.4360 -6.4360 -6.4130 -6.4130 5.8407 5.8407 5.9641 5.9641 6.1534 6.1534 6.8418 6.8418 7.4441 7.4441 8.1147 8.1147 10.8420 10.8420 11.3741 11.3741 11.5769 11.5769 13.6487 13.6487 13.7314 13.7314 21.7974 21.7974 22.3512 22.3512 k = 0.3397-0.4921-0.9727 ( 4473 PWs) bands (ev): -66.7315 -66.7315 -37.3563 -37.3563 -33.4797 -33.4797 -33.4433 -33.4433 -32.8659 -32.8659 -6.4363 -6.4363 -6.4128 -6.4128 5.8284 5.8284 5.9598 5.9598 6.1663 6.1663 6.8154 6.8154 7.4467 7.4467 8.1620 8.1620 10.8336 10.8336 11.3705 11.3705 11.5732 11.5732 13.6617 13.6617 13.7141 13.7141 21.6956 21.6956 22.4637 22.4637 k = 0.3445-0.4991-0.9864 ( 4471 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4799 -33.4799 -33.4429 -33.4429 -32.8659 -32.8659 -6.4373 -6.4373 -6.4125 -6.4125 5.8048 5.8048 5.9563 5.9563 6.1937 6.1937 6.7900 6.7900 7.4475 7.4475 8.2084 8.2084 10.8232 10.8232 11.3675 11.3675 11.5695 11.5695 13.6652 13.6652 13.7083 13.7083 21.5893 21.5893 22.5731 22.5731 k = 0.6555-0.3433-0.8906 ( 4471 PWs) bands (ev): -66.7315 -66.7315 -37.3562 -37.3562 -33.4799 -33.4799 -33.4429 -33.4429 -32.8659 -32.8659 -6.4373 -6.4373 -6.4125 -6.4125 5.8048 5.8048 5.9563 5.9563 6.1937 6.1937 6.7900 6.7900 7.4475 7.4475 8.2084 8.2084 10.8232 10.8232 11.3675 11.3675 11.5695 11.5695 13.6652 13.6652 13.7083 13.7083 21.5893 21.5893 22.5731 22.5731 k = 0.6508-0.3281-0.8906 ( 4469 PWs) bands (ev): -66.7315 -66.7315 -37.3561 -37.3561 -33.4801 -33.4801 -33.4424 -33.4424 -32.8660 -32.8660 -6.4391 -6.4391 -6.4120 -6.4120 5.7734 5.7734 5.9545 5.9545 6.2311 6.2311 6.7662 6.7662 7.4468 7.4468 8.2529 8.2529 10.8108 10.8108 11.3650 11.3650 11.5662 11.5662 13.6558 13.6558 13.7175 13.7175 21.4808 21.4808 22.6767 22.6767 k = 0.6461-0.3130-0.8906 ( 4481 PWs) bands (ev): -66.7315 -66.7315 -37.3560 -37.3560 -33.4805 -33.4805 -33.4417 -33.4417 -32.8661 -32.8661 -6.4417 -6.4417 -6.4111 -6.4111 5.7366 5.7366 5.9545 5.9545 6.2759 6.2759 6.7434 6.7434 7.4446 7.4446 8.2959 8.2959 10.7961 10.7961 11.3630 11.3630 11.5633 11.5633 13.6425 13.6425 13.7330 13.7330 21.3691 21.3691 22.7750 22.7750 k = 0.6414-0.2979-0.8906 ( 4481 PWs) bands (ev): -66.7316 -66.7316 -37.3559 -37.3559 -33.4809 -33.4809 -33.4408 -33.4408 -32.8661 -32.8661 -6.4451 -6.4451 -6.4100 -6.4100 5.6965 5.6965 5.9564 5.9564 6.3259 6.3259 6.7218 6.7218 7.4411 7.4411 8.3373 8.3373 10.7790 10.7790 11.3614 11.3614 11.5611 11.5611 13.6299 13.6299 13.7504 13.7504 21.2547 21.2547 22.8654 22.8654 k = 0.6367-0.2828-0.8906 ( 4485 PWs) bands (ev): -66.7316 -66.7316 -37.3557 -37.3557 -33.4815 -33.4815 -33.4397 -33.4397 -32.8662 -32.8662 -6.4491 -6.4491 -6.4086 -6.4086 5.6544 5.6544 5.9598 5.9598 6.3801 6.3801 6.7013 6.7013 7.4364 7.4364 8.3767 8.3767 10.7593 10.7593 11.3600 11.3600 11.5598 11.5598 13.6192 13.6192 13.7686 13.7686 21.1380 21.1380 22.9411 22.9411 k = 0.6320-0.2676-0.8906 ( 4487 PWs) bands (ev): -66.7317 -66.7317 -37.3555 -37.3555 -33.4821 -33.4821 -33.4385 -33.4385 -32.8663 -32.8663 -6.4537 -6.4537 -6.4070 -6.4070 5.6112 5.6112 5.9647 5.9647 6.4373 6.4373 6.6820 6.6820 7.4309 7.4309 8.4140 8.4140 10.7369 10.7369 11.3586 11.3586 11.5596 11.5596 13.6109 13.6109 13.7872 13.7872 21.0195 21.0195 22.9650 22.9650 k = 0.6272-0.2525-0.8906 ( 4485 PWs) bands (ev): -66.7318 -66.7318 -37.3553 -37.3553 -33.4828 -33.4828 -33.4372 -33.4372 -32.8664 -32.8664 -6.4588 -6.4588 -6.4053 -6.4053 5.5675 5.5675 5.9711 5.9711 6.4970 6.4970 6.6641 6.6641 7.4246 7.4246 8.4488 8.4488 10.7120 10.7120 11.3571 11.3571 11.5609 11.5609 13.6054 13.6054 13.8059 13.8059 20.8997 20.8997 22.9503 22.9503 k = 0.6225-0.2374-0.8906 ( 4479 PWs) bands (ev): -66.7318 -66.7318 -37.3551 -37.3551 -33.4836 -33.4836 -33.4358 -33.4358 -32.8665 -32.8665 -6.4644 -6.4644 -6.4035 -6.4035 5.5238 5.5238 5.9788 5.9788 6.5580 6.5580 6.6482 6.6482 7.4179 7.4179 8.4809 8.4809 10.6843 10.6843 11.3553 11.3553 11.5637 11.5637 13.6027 13.6027 13.8247 13.8247 20.7791 20.7791 22.9344 22.9344 k = 0.6178-0.2223-0.8906 ( 4479 PWs) bands (ev): -66.7319 -66.7319 -37.3549 -37.3549 -33.4844 -33.4844 -33.4342 -33.4342 -32.8666 -32.8666 -6.4702 -6.4702 -6.4016 -6.4016 5.4802 5.4802 5.9876 5.9876 6.6112 6.6112 6.6428 6.6428 7.4109 7.4109 8.5103 8.5103 10.6542 10.6542 11.3530 11.3530 11.5682 11.5682 13.6031 13.6031 13.8435 13.8435 20.6580 20.6580 22.9196 22.9196 k = 0.6131-0.2072-0.8906 ( 4479 PWs) bands (ev): -66.7320 -66.7320 -37.3546 -37.3546 -33.4852 -33.4852 -33.4326 -33.4326 -32.8667 -32.8667 -6.4764 -6.4764 -6.3996 -6.3996 5.4371 5.4371 5.9976 5.9976 6.6112 6.6112 6.6930 6.6930 7.4041 7.4041 8.5366 8.5366 10.6214 10.6214 11.3502 11.3502 11.5744 11.5744 13.6065 13.6065 13.8622 13.8622 20.5368 20.5368 22.9062 22.9062 k = 0.6084-0.1920-0.8906 ( 4484 PWs) bands (ev): -66.7321 -66.7321 -37.3544 -37.3544 -33.4860 -33.4860 -33.4310 -33.4310 -32.8668 -32.8668 -6.4827 -6.4827 -6.3976 -6.3976 5.3947 5.3947 6.0086 6.0086 6.5990 6.5990 6.7573 6.7573 7.3980 7.3980 8.5597 8.5597 10.5863 10.5863 11.3469 11.3469 11.5823 11.5823 13.6129 13.6129 13.8806 13.8806 20.4160 20.4160 22.8939 22.8939 k = 0.6037-0.1769-0.8906 ( 4484 PWs) bands (ev): -66.7322 -66.7322 -37.3541 -37.3541 -33.4869 -33.4869 -33.4293 -33.4293 -32.8669 -32.8669 -6.4893 -6.4893 -6.3957 -6.3957 5.3531 5.3531 6.0205 6.0205 6.5869 6.5869 6.8225 6.8225 7.3930 7.3930 8.5796 8.5796 10.5489 10.5489 11.3433 11.3433 11.5918 11.5918 13.6223 13.6223 13.8989 13.8989 20.2960 20.2960 22.8815 22.8815 k = 0.5990-0.1618-0.8906 ( 4482 PWs) bands (ev): -66.7323 -66.7323 -37.3538 -37.3538 -33.4878 -33.4878 -33.4276 -33.4276 -32.8670 -32.8670 -6.4959 -6.4959 -6.3937 -6.3937 5.3124 5.3124 6.0331 6.0331 6.5759 6.5759 6.8869 6.8869 7.3902 7.3902 8.5962 8.5962 10.5092 10.5092 11.3396 11.3396 11.6025 11.6025 13.6346 13.6346 13.9167 13.9167 20.1770 20.1770 22.8620 22.8620 k = 0.5943-0.1467-0.8906 ( 4490 PWs) bands (ev): -66.7324 -66.7324 -37.3536 -37.3536 -33.4887 -33.4887 -33.4259 -33.4259 -32.8671 -32.8671 -6.5026 -6.5026 -6.3917 -6.3917 5.2729 5.2729 6.0462 6.0462 6.5660 6.5660 6.9491 6.9491 7.3907 7.3907 8.6094 8.6094 10.4675 10.4675 11.3358 11.3358 11.6143 11.6143 13.6497 13.6497 13.9342 13.9342 20.0596 20.0596 22.8255 22.8255 k = 0.5895-0.1315-0.8906 ( 4482 PWs) bands (ev): -66.7325 -66.7325 -37.3533 -37.3533 -33.4895 -33.4895 -33.4241 -33.4241 -32.8673 -32.8673 -6.5092 -6.5092 -6.3898 -6.3898 5.2347 5.2347 6.0598 6.0598 6.5574 6.5574 7.0069 7.0069 7.3966 7.3966 8.6193 8.6193 10.4238 10.4238 11.3323 11.3323 11.6269 11.6269 13.6673 13.6673 13.9512 13.9512 19.9439 19.9439 22.7840 22.7840 k = 0.5848-0.1164-0.8906 ( 4486 PWs) bands (ev): -66.7325 -66.7325 -37.3530 -37.3530 -33.4904 -33.4904 -33.4224 -33.4224 -32.8674 -32.8674 -6.5159 -6.5159 -6.3879 -6.3879 5.1978 5.1978 6.0737 6.0737 6.5502 6.5502 7.0576 7.0576 7.4102 7.4102 8.6260 8.6260 10.3784 10.3784 11.3291 11.3291 11.6401 11.6401 13.6874 13.6874 13.9678 13.9678 19.8305 19.8305 22.7416 22.7416 k = 0.5801-0.1013-0.8906 ( 4486 PWs) bands (ev): -66.7326 -66.7326 -37.3528 -37.3528 -33.4912 -33.4912 -33.4207 -33.4207 -32.8675 -32.8675 -6.5224 -6.5224 -6.3861 -6.3861 5.1623 5.1623 6.0875 6.0875 6.5444 6.5444 7.0986 7.0986 7.4344 7.4344 8.6295 8.6295 10.3313 10.3313 11.3263 11.3263 11.6537 11.6537 13.7095 13.7095 13.9837 13.9837 19.7197 19.7197 22.6994 22.6994 k = 0.5754-0.0862-0.8906 ( 4486 PWs) bands (ev): -66.7327 -66.7327 -37.3525 -37.3525 -33.4920 -33.4920 -33.4191 -33.4191 -32.8676 -32.8676 -6.5288 -6.5288 -6.3843 -6.3843 5.1283 5.1283 6.1012 6.1012 6.5400 6.5400 7.1279 7.1279 7.4706 7.4706 8.6301 8.6301 10.2827 10.2827 11.3241 11.3241 11.6675 11.6675 13.7335 13.7335 13.9991 13.9991 19.6118 19.6118 22.6577 22.6577 k = 0.5707-0.0710-0.8906 ( 4490 PWs) bands (ev): -66.7328 -66.7328 -37.3523 -37.3523 -33.4928 -33.4928 -33.4175 -33.4175 -32.8677 -32.8677 -6.5351 -6.5351 -6.3826 -6.3826 5.0960 5.0960 6.1145 6.1145 6.5371 6.5371 7.1463 7.1463 7.5181 7.5181 8.6280 8.6280 10.2328 10.2328 11.3225 11.3225 11.6812 11.6812 13.7591 13.7591 14.0138 14.0138 19.5074 19.5074 22.6170 22.6170 k = 0.5660-0.0559-0.8906 ( 4490 PWs) bands (ev): -66.7329 -66.7329 -37.3520 -37.3520 -33.4935 -33.4935 -33.4159 -33.4159 -32.8678 -32.8678 -6.5411 -6.5411 -6.3809 -6.3809 5.0655 5.0655 6.1273 6.1273 6.5358 6.5358 7.1561 7.1561 7.5743 7.5743 8.6234 8.6234 10.1819 10.1819 11.3215 11.3215 11.6947 11.6947 13.7858 13.7858 14.0278 14.0278 19.4067 19.4067 22.5776 22.5776 k = 0.5613-0.0408-0.8906 ( 4486 PWs) bands (ev): -66.7330 -66.7330 -37.3518 -37.3518 -33.4942 -33.4942 -33.4145 -33.4145 -32.8679 -32.8679 -6.5469 -6.5469 -6.3794 -6.3794 5.0367 5.0367 6.1392 6.1392 6.5359 6.5359 7.1601 7.1601 7.6360 7.6360 8.6168 8.6168 10.1302 10.1302 11.3211 11.3211 11.7079 11.7079 13.8134 13.8134 14.0410 14.0410 19.3101 19.3101 22.5397 22.5397 k = 0.5566-0.0257-0.8906 ( 4478 PWs) bands (ev): -66.7331 -66.7331 -37.3516 -37.3516 -33.4949 -33.4949 -33.4131 -33.4131 -32.8680 -32.8680 -6.5524 -6.5524 -6.3779 -6.3779 5.0097 5.0097 6.1503 6.1503 6.5374 6.5374 7.1604 7.1604 7.7011 7.7011 8.6083 8.6083 10.0779 10.0779 11.3213 11.3213 11.7206 11.7206 13.8414 13.8414 14.0535 14.0535 19.2182 19.2182 22.5036 22.5036 k = 0.5518-0.0105-0.8906 ( 4480 PWs) bands (ev): -66.7331 -66.7331 -37.3513 -37.3513 -33.4955 -33.4955 -33.4117 -33.4117 -32.8681 -32.8681 -6.5576 -6.5576 -6.3766 -6.3766 4.9847 4.9847 6.1603 6.1603 6.5403 6.5403 7.1585 7.1585 7.7675 7.7675 8.5985 8.5985 10.0255 10.0255 11.3219 11.3219 11.7327 11.7327 13.8694 13.8694 14.0652 14.0652 19.1314 19.1314 22.4696 22.4696 k = 0.5471 0.0046-0.8906 ( 4480 PWs) bands (ev): -66.7332 -66.7332 -37.3511 -37.3511 -33.4961 -33.4961 -33.4105 -33.4105 -32.8682 -32.8682 -6.5624 -6.5624 -6.3753 -6.3753 4.9616 4.9616 6.1692 6.1692 6.5443 6.5443 7.1552 7.1552 7.8339 7.8339 8.5877 8.5877 9.9734 9.9734 11.3229 11.3229 11.7440 11.7440 13.8970 13.8970 14.0760 14.0760 19.0500 19.0500 22.4378 22.4378 k = 0.5424 0.0197-0.8906 ( 4480 PWs) bands (ev): -66.7333 -66.7333 -37.3510 -37.3510 -33.4966 -33.4966 -33.4094 -33.4094 -32.8683 -32.8683 -6.5669 -6.5669 -6.3742 -6.3742 4.9406 4.9406 6.1770 6.1770 6.5492 6.5492 7.1513 7.1513 7.8993 7.8993 8.5763 8.5763 9.9220 9.9220 11.3242 11.3242 11.7546 11.7546 13.9236 13.9236 14.0861 14.0861 18.9746 18.9746 22.4084 22.4084 k = 0.5377 0.0348-0.8906 ( 4484 PWs) bands (ev): -66.7333 -66.7333 -37.3508 -37.3508 -33.4971 -33.4971 -33.4084 -33.4084 -32.8683 -32.8683 -6.5709 -6.5709 -6.3731 -6.3731 4.9217 4.9217 6.1837 6.1837 6.5548 6.5548 7.1472 7.1472 7.9624 7.9624 8.5647 8.5647 9.8720 9.8720 11.3257 11.3257 11.7642 11.7642 13.9490 13.9490 14.0952 14.0952 18.9056 18.9056 22.3816 22.3816 k = 0.5330 0.0499-0.8906 ( 4484 PWs) bands (ev): -66.7334 -66.7334 -37.3506 -37.3506 -33.4975 -33.4975 -33.4074 -33.4074 -32.8684 -32.8684 -6.5746 -6.5746 -6.3722 -6.3722 4.9049 4.9049 6.1893 6.1893 6.5608 6.5608 7.1431 7.1431 8.0224 8.0224 8.5534 8.5534 9.8241 9.8241 11.3273 11.3273 11.7729 11.7729 13.9725 13.9725 14.1034 14.1034 18.8434 18.8434 22.3577 22.3577 k = 0.5283 0.0651-0.8906 ( 4480 PWs) bands (ev): -66.7334 -66.7334 -37.3505 -37.3505 -33.4979 -33.4979 -33.4066 -33.4066 -32.8685 -32.8685 -6.5778 -6.5778 -6.3714 -6.3714 4.8902 4.8902 6.1939 6.1939 6.5668 6.5668 7.1393 7.1393 8.0780 8.0780 8.5428 8.5428 9.7791 9.7791 11.3289 11.3289 11.7806 11.7806 13.9938 13.9938 14.1108 14.1108 18.7885 18.7885 22.3366 22.3366 k = 0.5236 0.0802-0.8906 ( 4474 PWs) bands (ev): -66.7335 -66.7335 -37.3504 -37.3504 -33.4982 -33.4982 -33.4059 -33.4059 -32.8685 -32.8685 -6.5805 -6.5805 -6.3707 -6.3707 4.8778 4.8778 6.1976 6.1976 6.5726 6.5726 7.1359 7.1359 8.1282 8.1282 8.5331 8.5331 9.7381 9.7381 11.3304 11.3304 11.7871 11.7871 14.0124 14.0124 14.1172 14.1172 18.7412 18.7412 22.3185 22.3185 k = 0.5189 0.0953-0.8906 ( 4474 PWs) bands (ev): -66.7335 -66.7335 -37.3503 -37.3503 -33.4984 -33.4984 -33.4054 -33.4054 -32.8685 -32.8685 -6.5827 -6.5827 -6.3701 -6.3701 4.8676 4.8676 6.2005 6.2005 6.5777 6.5777 7.1329 7.1329 8.1717 8.1717 8.5249 8.5249 9.7021 9.7021 11.3317 11.3317 11.7926 11.7926 14.0280 14.0280 14.1227 14.1227 18.7020 18.7020 22.3036 22.3036 k = 0.5141 0.1104-0.8906 ( 4474 PWs) bands (ev): -66.7335 -66.7335 -37.3502 -37.3502 -33.4987 -33.4987 -33.4049 -33.4049 -32.8686 -32.8686 -6.5845 -6.5845 -6.3697 -6.3697 4.8596 4.8596 6.2026 6.2026 6.5821 6.5821 7.1306 7.1306 8.2073 8.2073 8.5182 8.5182 9.6724 9.6724 11.3329 11.3329 11.7968 11.7968 14.0404 14.0404 14.1271 14.1271 18.6711 18.6711 22.2920 22.2920 k = 0.5094 0.1256-0.8906 ( 4476 PWs) bands (ev): -66.7335 -66.7335 -37.3502 -37.3502 -33.4988 -33.4988 -33.4046 -33.4046 -32.8686 -32.8686 -6.5858 -6.5858 -6.3694 -6.3694 4.8539 4.8539 6.2041 6.2041 6.5853 6.5853 7.1289 7.1289 8.2337 8.2337 8.5134 8.5134 9.6501 9.6501 11.3337 11.3337 11.7999 11.7999 14.0493 14.0493 14.1304 14.1304 18.6489 18.6489 22.2836 22.2836 k = 0.5047 0.1407-0.8906 ( 4472 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4989 -33.4989 -33.4044 -33.4044 -32.8686 -32.8686 -6.5865 -6.5865 -6.3692 -6.3692 4.8505 4.8505 6.2050 6.2050 6.5874 6.5874 7.1279 7.1279 8.2500 8.2500 8.5105 8.5105 9.6362 9.6362 11.3342 11.3342 11.8017 11.8017 14.0547 14.0547 14.1324 14.1324 18.6354 18.6354 22.2785 22.2785 k = 0.5000 0.1558-0.8906 ( 4474 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4989 -33.4989 -33.4043 -33.4043 -32.8686 -32.8686 -6.5868 -6.5868 -6.3691 -6.3691 4.8493 4.8493 6.2053 6.2053 6.5880 6.5880 7.1275 7.1275 8.2555 8.2555 8.5095 8.5095 9.6315 9.6315 11.3344 11.3344 11.8023 11.8023 14.0565 14.0565 14.1331 14.1331 18.6310 18.6310 22.2768 22.2768 k = 0.5000 0.1558-0.8906 ( 4474 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4989 -33.4989 -33.4043 -33.4043 -32.8686 -32.8686 -6.5868 -6.5868 -6.3691 -6.3691 4.8493 4.8493 6.2053 6.2053 6.5880 6.5880 7.1275 7.1275 8.2555 8.2555 8.5095 8.5095 9.6315 9.6315 11.3344 11.3344 11.8023 11.8023 14.0565 14.0565 14.1331 14.1331 18.6310 18.6310 22.2768 22.2768 k = 0.5130 0.1598-0.8827 ( 4471 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4989 -33.4989 -33.4043 -33.4043 -32.8686 -32.8686 -6.5874 -6.5874 -6.3685 -6.3685 4.8498 4.8498 6.2032 6.2032 6.5876 6.5876 7.1295 7.1295 8.2561 8.2561 8.5090 8.5090 9.6324 9.6324 11.3344 11.3344 11.8023 11.8023 14.0558 14.0558 14.1313 14.1313 18.6346 18.6346 22.2733 22.2733 k = 0.5259 0.1639-0.8747 ( 4465 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4989 -33.4989 -33.4043 -33.4043 -32.8686 -32.8686 -6.5893 -6.5893 -6.3667 -6.3667 4.8511 4.8511 6.1970 6.1970 6.5864 6.5864 7.1354 7.1354 8.2581 8.2581 8.5075 8.5075 9.6350 9.6350 11.3343 11.3343 11.8022 11.8022 14.0536 14.0536 14.1259 14.1259 18.6454 18.6454 22.2628 22.2628 k = 0.5389 0.1679-0.8667 ( 4475 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4988 -33.4988 -33.4043 -33.4043 -32.8686 -32.8686 -6.5924 -6.5924 -6.3639 -6.3639 4.8533 4.8533 6.1871 6.1871 6.5844 6.5844 7.1449 7.1449 8.2614 8.2614 8.5051 8.5051 9.6394 9.6394 11.3342 11.3342 11.8020 11.8020 14.0498 14.0498 14.1172 14.1172 18.6634 18.6634 22.2461 22.2461 k = 0.5518 0.1720-0.8587 ( 4477 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4988 -33.4988 -33.4043 -33.4043 -32.8686 -32.8686 -6.5966 -6.5966 -6.3600 -6.3600 4.8563 4.8563 6.1737 6.1737 6.5816 6.5816 7.1575 7.1575 8.2659 8.2659 8.5017 8.5017 9.6454 9.6454 11.3341 11.3341 11.8017 11.8017 14.0441 14.0441 14.1058 14.1058 18.6883 18.6883 22.2241 22.2241 k = 0.5648 0.1760-0.8507 ( 4483 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4987 -33.4987 -33.4043 -33.4043 -32.8686 -32.8686 -6.6017 -6.6017 -6.3553 -6.3553 4.8603 4.8603 6.1573 6.1573 6.5781 6.5781 7.1728 7.1728 8.2716 8.2716 8.4976 8.4976 9.6530 9.6530 11.3339 11.3339 11.8013 11.8013 14.0359 14.0359 14.0923 14.0923 18.7200 18.7200 22.1976 22.1976 k = 0.5778 0.1800-0.8427 ( 4487 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4986 -33.4986 -33.4043 -33.4043 -32.8686 -32.8686 -6.6075 -6.6075 -6.3499 -6.3499 4.8651 4.8651 6.1385 6.1385 6.5738 6.5738 7.1902 7.1902 8.2785 8.2785 8.4928 8.4928 9.6621 9.6621 11.3337 11.3337 11.8010 11.8010 14.0242 14.0242 14.0781 14.0781 18.7581 18.7581 22.1675 22.1675 k = 0.5907 0.1841-0.8348 ( 4487 PWs) bands (ev): -66.7336 -66.7336 -37.3499 -37.3499 -33.4985 -33.4985 -33.4043 -33.4043 -32.8685 -32.8685 -6.6140 -6.6140 -6.3440 -6.3440 4.8707 4.8707 6.1178 6.1178 6.5688 6.5688 7.2090 7.2090 8.2863 8.2863 8.4875 8.4875 9.6725 9.6725 11.3335 11.3335 11.8006 11.8006 14.0080 14.0080 14.0646 14.0646 18.8025 18.8025 22.1343 22.1343 k = 0.6037 0.1881-0.8268 ( 4485 PWs) bands (ev): -66.7336 -66.7336 -37.3499 -37.3499 -33.4984 -33.4984 -33.4043 -33.4043 -32.8685 -32.8685 -6.6210 -6.6210 -6.3377 -6.3377 4.8772 4.8772 6.0957 6.0957 6.5633 6.5633 7.2287 7.2287 8.2952 8.2952 8.4819 8.4819 9.6843 9.6843 11.3332 11.3332 11.8003 11.8003 13.9870 13.9870 14.0523 14.0523 18.8528 18.8528 22.0986 22.0986 k = 0.6166 0.1922-0.8188 ( 4485 PWs) bands (ev): -66.7337 -66.7337 -37.3498 -37.3498 -33.4982 -33.4982 -33.4043 -33.4043 -32.8685 -32.8685 -6.6283 -6.6283 -6.3312 -6.3312 4.8846 4.8846 6.0726 6.0726 6.5571 6.5571 7.2486 7.2486 8.3048 8.3048 8.4760 8.4760 9.6972 9.6972 11.3330 11.3330 11.8000 11.8000 13.9619 13.9619 14.0411 14.0411 18.9085 18.9085 22.0606 22.0606 k = 0.6296 0.1962-0.8108 ( 4487 PWs) bands (ev): -66.7337 -66.7337 -37.3497 -37.3497 -33.4981 -33.4981 -33.4043 -33.4043 -32.8685 -32.8685 -6.6359 -6.6359 -6.3245 -6.3245 4.8928 4.8928 6.0490 6.0490 6.5504 6.5504 7.2682 7.2682 8.3151 8.3151 8.4702 8.4702 9.7111 9.7111 11.3327 11.3327 11.7998 11.7998 13.9336 13.9336 14.0304 14.0304 18.9695 18.9695 22.0207 22.0207 k = 0.6426 0.2002-0.8028 ( 4487 PWs) bands (ev): -66.7337 -66.7337 -37.3496 -37.3496 -33.4979 -33.4979 -33.4043 -33.4043 -32.8685 -32.8685 -6.6437 -6.6437 -6.3177 -6.3177 4.9019 4.9019 6.0253 6.0253 6.5433 6.5433 7.2870 7.2870 8.3260 8.3260 8.4646 8.4646 9.7260 9.7260 11.3325 11.3325 11.7998 11.7998 13.9030 13.9030 14.0198 14.0198 19.0352 19.0352 21.9788 21.9788 k = 0.6555 0.2043-0.7948 ( 4490 PWs) bands (ev): -66.7337 -66.7337 -37.3495 -37.3495 -33.4977 -33.4977 -33.4043 -33.4043 -32.8684 -32.8684 -6.6515 -6.6515 -6.3110 -6.3110 4.9118 4.9118 6.0018 6.0018 6.5358 6.5358 7.3047 7.3047 8.3371 8.3371 8.4594 8.4594 9.7416 9.7416 11.3323 11.3323 11.7999 11.7999 13.8708 13.8708 14.0090 14.0090 19.1053 19.1053 21.9353 21.9353 k = 0.6555 0.2043-0.7948 ( 4490 PWs) bands (ev): -66.7337 -66.7337 -37.3495 -37.3495 -33.4977 -33.4977 -33.4043 -33.4043 -32.8684 -32.8684 -6.6515 -6.6515 -6.3110 -6.3110 4.9118 4.9118 6.0018 6.0018 6.5358 6.5358 7.3047 7.3047 8.3371 8.3371 8.4594 8.4594 9.7416 9.7416 11.3323 11.3323 11.7999 11.7999 13.8708 13.8708 14.0090 14.0090 19.1053 19.1053 21.9353 21.9353 k = 0.6528 0.2034-0.7792 ( 4487 PWs) bands (ev): -66.7338 -66.7338 -37.3492 -37.3492 -33.4970 -33.4970 -33.4042 -33.4042 -32.8685 -32.8685 -6.6538 -6.6538 -6.3139 -6.3139 4.9223 4.9223 5.9709 5.9709 6.5416 6.5416 7.3450 7.3450 8.3287 8.3287 8.4679 8.4679 9.7382 9.7382 11.3313 11.3313 11.7949 11.7949 13.8442 13.8442 14.0083 14.0083 19.1265 19.1265 21.8851 21.8851 k = 0.6501 0.2026-0.7636 ( 4485 PWs) bands (ev): -66.7340 -66.7340 -37.3488 -37.3488 -33.4961 -33.4961 -33.4041 -33.4041 -32.8686 -32.8686 -6.6560 -6.6560 -6.3181 -6.3181 4.9362 4.9362 5.9408 5.9408 6.5479 6.5479 7.3835 7.3835 8.3193 8.3193 8.4760 8.4760 9.7370 9.7370 11.3299 11.3299 11.7892 11.7892 13.8154 13.8154 14.0070 14.0070 19.1468 19.1468 21.8359 21.8359 k = 0.6473 0.2017-0.7480 ( 4485 PWs) bands (ev): -66.7341 -66.7341 -37.3483 -37.3483 -33.4950 -33.4950 -33.4040 -33.4040 -32.8687 -32.8687 -6.6582 -6.6582 -6.3235 -6.3235 4.9534 4.9534 5.9119 5.9119 6.5548 6.5548 7.4196 7.4196 8.3092 8.3092 8.4837 8.4837 9.7381 9.7381 11.3283 11.3283 11.7830 11.7830 13.7846 13.7846 14.0051 14.0051 19.1659 19.1659 21.7875 21.7875 k = 0.6446 0.2009-0.7323 ( 4487 PWs) bands (ev): -66.7343 -66.7343 -37.3478 -37.3478 -33.4938 -33.4938 -33.4039 -33.4039 -32.8689 -32.8689 -6.6603 -6.6603 -6.3301 -6.3301 4.9737 4.9737 5.8845 5.8845 6.5621 6.5621 7.4528 7.4528 8.2983 8.2983 8.4913 8.4913 9.7413 9.7413 11.3263 11.3263 11.7766 11.7766 13.7520 13.7520 14.0024 14.0024 19.1835 19.1835 21.7399 21.7399 k = 0.6419 0.2000-0.7167 ( 4487 PWs) bands (ev): -66.7345 -66.7345 -37.3472 -37.3472 -33.4924 -33.4924 -33.4037 -33.4037 -32.8690 -32.8690 -6.6624 -6.6624 -6.3379 -6.3379 4.9972 4.9972 5.8587 5.8587 6.5698 6.5698 7.4823 7.4823 8.2870 8.2870 8.4992 8.4992 9.7467 9.7467 11.3240 11.3240 11.7698 11.7698 13.7179 13.7179 13.9991 13.9991 19.1994 19.1994 21.6931 21.6931 k = 0.6391 0.1992-0.7011 ( 4483 PWs) bands (ev): -66.7347 -66.7347 -37.3465 -37.3465 -33.4909 -33.4909 -33.4035 -33.4035 -32.8692 -32.8692 -6.6645 -6.6645 -6.3470 -6.3470 5.0235 5.0235 5.8349 5.8349 6.5778 6.5778 7.5077 7.5077 8.2753 8.2753 8.5078 8.5078 9.7540 9.7540 11.3213 11.3213 11.7630 11.7630 13.6825 13.6825 13.9950 13.9950 19.2132 19.2132 21.6470 21.6470 k = 0.6364 0.1983-0.6855 ( 4479 PWs) bands (ev): -66.7349 -66.7349 -37.3458 -37.3458 -33.4893 -33.4893 -33.4033 -33.4033 -32.8694 -32.8694 -6.6665 -6.6665 -6.3571 -6.3571 5.0525 5.0525 5.8134 5.8134 6.5862 6.5862 7.5283 7.5283 8.2633 8.2633 8.5175 8.5175 9.7632 9.7632 11.3182 11.3182 11.7562 11.7562 13.6459 13.6459 13.9902 13.9902 19.2245 19.2245 21.6015 21.6015 k = 0.6337 0.1975-0.6698 ( 4475 PWs) bands (ev): -66.7351 -66.7351 -37.3450 -37.3450 -33.4875 -33.4875 -33.4030 -33.4030 -32.8696 -32.8696 -6.6685 -6.6685 -6.3683 -6.3683 5.0838 5.0838 5.7944 5.7944 6.5947 6.5947 7.5436 7.5436 8.2513 8.2513 8.5288 8.5288 9.7740 9.7740 11.3147 11.3147 11.7496 11.7496 13.6084 13.6084 13.9848 13.9848 19.2331 19.2331 21.5566 21.5566 k = 0.6310 0.1966-0.6542 ( 4480 PWs) bands (ev): -66.7354 -66.7354 -37.3442 -37.3442 -33.4856 -33.4856 -33.4027 -33.4027 -32.8698 -32.8698 -6.6705 -6.6705 -6.3806 -6.3806 5.1173 5.1173 5.7783 5.7783 6.6033 6.6033 7.5535 7.5535 8.2393 8.2393 8.5419 8.5419 9.7863 9.7863 11.3107 11.3107 11.7431 11.7431 13.5702 13.5702 13.9787 13.9787 19.2385 19.2385 21.5124 21.5124 k = 0.6282 0.1958-0.6386 ( 4476 PWs) bands (ev): -66.7357 -66.7357 -37.3433 -37.3433 -33.4836 -33.4836 -33.4024 -33.4024 -32.8701 -32.8701 -6.6725 -6.6725 -6.3938 -6.3938 5.1523 5.1523 5.7657 5.7657 6.6120 6.6120 7.5576 7.5576 8.2275 8.2275 8.5570 8.5570 9.7999 9.7999 11.3062 11.3062 11.7370 11.7370 13.5315 13.5315 13.9721 13.9721 19.2404 19.2404 21.4686 21.4686 k = 0.6255 0.1949-0.6230 ( 4481 PWs) bands (ev): -66.7360 -66.7360 -37.3423 -37.3423 -33.4815 -33.4815 -33.4020 -33.4020 -32.8703 -32.8703 -6.6745 -6.6745 -6.4080 -6.4080 5.1885 5.1885 5.7569 5.7569 6.6205 6.6205 7.5561 7.5561 8.2160 8.2160 8.5740 8.5740 9.8147 9.8147 11.3012 11.3012 11.7312 11.7312 13.4927 13.4927 13.9648 13.9648 19.2385 19.2385 21.4253 21.4253 k = 0.6228 0.1941-0.6073 ( 4483 PWs) bands (ev): -66.7363 -66.7363 -37.3413 -37.3413 -33.4794 -33.4794 -33.4016 -33.4016 -32.8706 -32.8706 -6.6766 -6.6766 -6.4230 -6.4230 5.2249 5.2249 5.7527 5.7527 6.6289 6.6289 7.5492 7.5492 8.2051 8.2051 8.5927 8.5927 9.8304 9.8304 11.2956 11.2956 11.7259 11.7259 13.4540 13.4540 13.9571 13.9571 19.2324 19.2324 21.3823 21.3823 k = 0.6200 0.1932-0.5917 ( 4473 PWs) bands (ev): -66.7366 -66.7366 -37.3402 -37.3402 -33.4771 -33.4771 -33.4011 -33.4011 -32.8709 -32.8709 -6.6787 -6.6787 -6.4387 -6.4387 5.2609 5.2609 5.7539 5.7539 6.6370 6.6370 7.5373 7.5373 8.1949 8.1949 8.6127 8.6127 9.8470 9.8470 11.2894 11.2894 11.7211 11.7211 13.4156 13.4156 13.9488 13.9488 19.2219 19.2219 21.3396 21.3396 k = 0.6173 0.1924-0.5761 ( 4470 PWs) bands (ev): -66.7370 -66.7370 -37.3391 -37.3391 -33.4748 -33.4748 -33.4006 -33.4006 -32.8712 -32.8712 -6.6810 -6.6810 -6.4550 -6.4550 5.2955 5.2955 5.7612 5.7612 6.6446 6.6446 7.5207 7.5207 8.1856 8.1856 8.6337 8.6337 9.8644 9.8644 11.2825 11.2825 11.7168 11.7168 13.3778 13.3778 13.9402 13.9402 19.2067 19.2067 21.2971 21.2971 k = 0.6146 0.1915-0.5605 ( 4465 PWs) bands (ev): -66.7373 -66.7373 -37.3380 -37.3380 -33.4724 -33.4724 -33.4000 -33.4000 -32.8715 -32.8715 -6.6835 -6.6835 -6.4718 -6.4718 5.3277 5.3277 5.7756 5.7756 6.6516 6.6516 7.5002 7.5002 8.1773 8.1773 8.6550 8.6550 9.8823 9.8823 11.2749 11.2749 11.7130 11.7130 13.3409 13.3409 13.9312 13.9312 19.1867 19.1867 21.2545 21.2545 k = 0.6119 0.1907-0.5448 ( 4467 PWs) bands (ev): -66.7377 -66.7377 -37.3368 -37.3368 -33.4699 -33.4699 -33.3994 -33.3994 -32.8718 -32.8718 -6.6864 -6.6864 -6.4889 -6.4889 5.3566 5.3566 5.7976 5.7976 6.6580 6.6580 7.4762 7.4762 8.1703 8.1703 8.6761 8.6761 9.9009 9.9009 11.2665 11.2665 11.7097 11.7097 13.3052 13.3052 13.9219 13.9219 19.1618 19.1618 21.2118 21.2118 k = 0.6091 0.1898-0.5292 ( 4470 PWs) bands (ev): -66.7381 -66.7381 -37.3356 -37.3356 -33.4675 -33.4675 -33.3987 -33.3987 -32.8722 -32.8722 -6.6897 -6.6897 -6.5062 -6.5062 5.3820 5.3820 5.8275 5.8275 6.6636 6.6636 7.4496 7.4496 8.1647 8.1647 8.6964 8.6964 9.9198 9.9198 11.2572 11.2572 11.7070 11.7070 13.2710 13.2710 13.9124 13.9124 19.1319 19.1319 21.1687 21.1687 k = 0.6064 0.1890-0.5136 ( 4478 PWs) bands (ev): -66.7384 -66.7384 -37.3343 -37.3343 -33.4650 -33.4650 -33.3979 -33.3979 -32.8725 -32.8725 -6.6937 -6.6937 -6.5233 -6.5233 5.4038 5.4038 5.8649 5.8649 6.6682 6.6682 7.4208 7.4208 8.1608 8.1608 8.7155 8.7155 9.9392 9.9392 11.2470 11.2470 11.7046 11.7046 13.2386 13.2386 13.9027 13.9027 19.0969 19.0969 21.1250 21.1250 k = 0.6037 0.1881-0.4980 ( 4485 PWs) bands (ev): -66.7388 -66.7388 -37.3330 -37.3330 -33.4625 -33.4625 -33.3970 -33.3970 -32.8729 -32.8729 -6.6985 -6.6985 -6.5401 -6.5401 5.4226 5.4226 5.9090 5.9090 6.6718 6.6718 7.3906 7.3906 8.1587 8.1587 8.7328 8.7328 9.9588 9.9588 11.2358 11.2358 11.7026 11.7026 13.2083 13.2083 13.8928 13.8928 19.0570 19.0570 21.0805 21.0805 k = 0.6009 0.1873-0.4823 ( 4485 PWs) bands (ev): -66.7393 -66.7393 -37.3317 -37.3317 -33.4601 -33.4601 -33.3960 -33.3960 -32.8732 -32.8732 -6.7044 -6.7044 -6.5561 -6.5561 5.4391 5.4391 5.9588 5.9588 6.6742 6.6742 7.3597 7.3597 8.1586 8.1586 8.7478 8.7478 9.9787 9.9787 11.2235 11.2235 11.7009 11.7009 13.1805 13.1805 13.8830 13.8830 19.0123 19.0123 21.0350 21.0350 k = 0.5982 0.1864-0.4667 ( 4482 PWs) bands (ev): -66.7397 -66.7397 -37.3304 -37.3304 -33.4577 -33.4577 -33.3950 -33.3950 -32.8736 -32.8736 -6.7119 -6.7119 -6.5710 -6.5710 5.4541 5.4541 6.0128 6.0128 6.6754 6.6754 7.3289 7.3289 8.1606 8.1606 8.7602 8.7602 9.9988 9.9988 11.2101 11.2101 11.6993 11.6993 13.1554 13.1554 13.8731 13.8731 18.9629 18.9629 20.9881 20.9881 k = 0.5955 0.1856-0.4511 ( 4486 PWs) bands (ev): -66.7401 -66.7401 -37.3291 -37.3291 -33.4553 -33.4553 -33.3938 -33.3938 -32.8740 -32.8740 -6.7211 -6.7211 -6.5844 -6.5844 5.4684 5.4684 6.0697 6.0697 6.6753 6.6753 7.2991 7.2991 8.1649 8.1649 8.7697 8.7697 10.0189 10.0189 11.1955 11.1955 11.6977 11.6977 13.1333 13.1333 13.8632 13.8632 18.9091 18.9091 20.9397 20.9397 k = 0.5928 0.1847-0.4355 ( 4482 PWs) bands (ev): -66.7405 -66.7405 -37.3277 -37.3277 -33.4530 -33.4530 -33.3925 -33.3925 -32.8743 -32.8743 -6.7323 -6.7323 -6.5960 -6.5960 5.4825 5.4825 6.1281 6.1281 6.6739 6.6739 7.2713 7.2713 8.1716 8.1716 8.7761 8.7761 10.0391 10.0391 11.1797 11.1797 11.6958 11.6958 13.1146 13.1146 13.8536 13.8536 18.8511 18.8511 20.8895 20.8895 k = 0.5900 0.1839-0.4198 ( 4475 PWs) bands (ev): -66.7409 -66.7409 -37.3263 -37.3263 -33.4507 -33.4507 -33.3911 -33.3911 -32.8747 -32.8747 -6.7456 -6.7456 -6.6056 -6.6056 5.4970 5.4970 6.1864 6.1864 6.6712 6.6712 7.2466 7.2466 8.1807 8.1807 8.7790 8.7790 10.0591 10.0591 11.1626 11.1626 11.6937 11.6937 13.0993 13.0993 13.8440 13.8440 18.7893 18.7893 20.8374 20.8374 k = 0.5873 0.1830-0.4042 ( 4475 PWs) bands (ev): -66.7414 -66.7414 -37.3250 -37.3250 -33.4486 -33.4486 -33.3896 -33.3896 -32.8751 -32.8751 -6.7609 -6.7609 -6.6133 -6.6133 5.5121 5.5121 6.2429 6.2429 6.6671 6.6671 7.2266 7.2266 8.1924 8.1924 8.7784 8.7784 10.0789 10.0789 11.1441 11.1441 11.6910 11.6910 13.0877 13.0877 13.8348 13.8348 18.7240 18.7240 20.7832 20.7832 k = 0.5846 0.1822-0.3886 ( 4477 PWs) bands (ev): -66.7418 -66.7418 -37.3236 -37.3236 -33.4466 -33.4466 -33.3879 -33.3879 -32.8754 -32.8754 -6.7779 -6.7779 -6.6194 -6.6194 5.5282 5.5282 6.2957 6.2957 6.6617 6.6617 7.2131 7.2131 8.2065 8.2065 8.7742 8.7742 10.0985 10.0985 11.1242 11.1242 11.6876 11.6876 13.0801 13.0801 13.8258 13.8258 18.6555 18.6555 20.7268 20.7268 k = 0.5819 0.1813-0.3730 ( 4481 PWs) bands (ev): -66.7422 -66.7422 -37.3222 -37.3222 -33.4447 -33.4447 -33.3861 -33.3861 -32.8758 -32.8758 -6.7963 -6.7963 -6.6240 -6.6240 5.5454 5.5454 6.3424 6.3424 6.6551 6.6551 7.2080 7.2080 8.2232 8.2232 8.7663 8.7663 10.1177 10.1177 11.1029 11.1029 11.6834 11.6834 13.0765 13.0765 13.8171 13.8171 18.5843 18.5843 20.6682 20.6682 k = 0.5791 0.1805-0.3573 ( 4478 PWs) bands (ev): -66.7427 -66.7427 -37.3208 -37.3208 -33.4429 -33.4429 -33.3843 -33.3843 -32.8762 -32.8762 -6.8157 -6.8157 -6.6276 -6.6276 5.5639 5.5639 6.3811 6.3811 6.6473 6.6473 7.2135 7.2135 8.2424 8.2424 8.7548 8.7548 10.1363 10.1363 11.0801 11.0801 11.6782 11.6782 13.0769 13.0769 13.8088 13.8088 18.5106 18.5106 20.6073 20.6073 k = 0.5764 0.1796-0.3417 ( 4473 PWs) bands (ev): -66.7431 -66.7431 -37.3194 -37.3194 -33.4412 -33.4412 -33.3823 -33.3823 -32.8766 -32.8766 -6.8358 -6.8358 -6.6302 -6.6302 5.5837 5.5837 6.4098 6.4098 6.6383 6.6383 7.2314 7.2314 8.2640 8.2640 8.7398 8.7398 10.1544 10.1544 11.0559 11.0559 11.6718 11.6718 13.0814 13.0814 13.8010 13.8010 18.4348 18.4348 20.5442 20.5442 k = 0.5737 0.1788-0.3261 ( 4477 PWs) bands (ev): -66.7435 -66.7435 -37.3181 -37.3181 -33.4396 -33.4396 -33.3801 -33.3801 -32.8770 -32.8770 -6.8563 -6.8563 -6.6322 -6.6322 5.6049 5.6049 6.4277 6.4277 6.6283 6.6283 7.2624 7.2624 8.2880 8.2880 8.7212 8.7212 10.1718 10.1718 11.0302 11.0302 11.6642 11.6642 13.0898 13.0898 13.7935 13.7935 18.3574 18.3574 20.4789 20.4789 k = 0.5709 0.1779-0.3105 ( 4469 PWs) bands (ev): -66.7440 -66.7440 -37.3167 -37.3167 -33.4382 -33.4382 -33.3779 -33.3779 -32.8773 -32.8773 -6.8771 -6.8771 -6.6336 -6.6336 5.6276 5.6276 6.4350 6.4350 6.6171 6.6171 7.3064 7.3064 8.3142 8.3142 8.6994 8.6994 10.1884 10.1884 11.0030 11.0030 11.6554 11.6554 13.1021 13.1021 13.7866 13.7866 18.2788 18.2788 20.4117 20.4117 k = 0.5682 0.1771-0.2948 ( 4464 PWs) bands (ev): -66.7444 -66.7444 -37.3154 -37.3154 -33.4369 -33.4369 -33.3757 -33.3757 -32.8777 -32.8777 -6.8980 -6.8980 -6.6346 -6.6346 5.6516 5.6516 6.4331 6.4331 6.6049 6.6049 7.3620 7.3620 8.3426 8.3426 8.6744 8.6744 10.2041 10.2041 10.9744 10.9744 11.6452 11.6452 13.1181 13.1181 13.7801 13.7801 18.1993 18.1993 20.3426 20.3426 k = 0.5655 0.1762-0.2792 ( 4468 PWs) bands (ev): -66.7448 -66.7448 -37.3141 -37.3141 -33.4357 -33.4357 -33.3733 -33.3733 -32.8780 -32.8780 -6.9188 -6.9188 -6.6353 -6.6353 5.6771 5.6771 6.4236 6.4236 6.5918 6.5918 7.4276 7.4276 8.3729 8.3729 8.6465 8.6465 10.2189 10.2189 10.9443 10.9443 11.6336 11.6336 13.1374 13.1374 13.7742 13.7742 18.1193 18.1193 20.2719 20.2719 k = 0.5628 0.1754-0.2636 ( 4470 PWs) bands (ev): -66.7452 -66.7452 -37.3128 -37.3128 -33.4346 -33.4346 -33.3709 -33.3709 -32.8784 -32.8784 -6.9395 -6.9395 -6.6357 -6.6357 5.7040 5.7040 6.4083 6.4083 6.5779 6.5779 7.5011 7.5011 8.4048 8.4048 8.6161 8.6161 10.2326 10.2326 10.9129 10.9129 11.6207 11.6207 13.1600 13.1600 13.7687 13.7687 18.0392 18.0392 20.2000 20.2000 k = 0.5600 0.1745-0.2480 ( 4465 PWs) bands (ev): -66.7456 -66.7456 -37.3116 -37.3116 -33.4336 -33.4336 -33.3685 -33.3685 -32.8787 -32.8787 -6.9598 -6.9598 -6.6359 -6.6359 5.7322 5.7322 6.3887 6.3887 6.5635 6.5635 7.5808 7.5808 8.4379 8.4379 8.5837 8.5837 10.2452 10.2452 10.8800 10.8800 11.6065 11.6065 13.1853 13.1853 13.7638 13.7638 17.9593 17.9593 20.1269 20.1269 k = 0.5573 0.1737-0.2323 ( 4469 PWs) bands (ev): -66.7460 -66.7460 -37.3103 -37.3103 -33.4327 -33.4327 -33.3661 -33.3661 -32.8791 -32.8791 -6.9798 -6.9798 -6.6359 -6.6359 5.7616 5.7616 6.3662 6.3662 6.5488 6.5488 7.6653 7.6653 8.4701 8.4701 8.5516 8.5516 10.2565 10.2565 10.8459 10.8459 11.5911 11.5911 13.2130 13.2130 13.7594 13.7594 17.8801 17.8801 20.0532 20.0532 k = 0.5546 0.1728-0.2167 ( 4470 PWs) bands (ev): -66.7464 -66.7464 -37.3092 -37.3092 -33.4319 -33.4319 -33.3637 -33.3637 -32.8794 -32.8794 -6.9993 -6.9993 -6.6358 -6.6358 5.7921 5.7921 6.3417 6.3417 6.5339 6.5339 7.7534 7.7534 8.4854 8.4854 8.5357 8.5357 10.2666 10.2666 10.8105 10.8105 11.5745 11.5745 13.2429 13.2429 13.7555 13.7555 17.8019 17.8019 19.9790 19.9790 k = 0.5518 0.1720-0.2011 ( 4466 PWs) bands (ev): -66.7467 -66.7467 -37.3080 -37.3080 -33.4311 -33.4311 -33.3612 -33.3612 -32.8797 -32.8797 -7.0183 -7.0183 -6.6356 -6.6356 5.8237 5.8237 6.3161 6.3161 6.5190 6.5190 7.8439 7.8439 8.4588 8.4588 8.5613 8.5613 10.2753 10.2753 10.7739 10.7739 11.5568 11.5568 13.2744 13.2744 13.7521 13.7521 17.7250 17.7250 19.9048 19.9048 k = 0.5491 0.1711-0.1855 ( 4466 PWs) bands (ev): -66.7471 -66.7471 -37.3069 -37.3069 -33.4304 -33.4304 -33.3588 -33.3588 -32.8800 -32.8800 -7.0366 -7.0366 -6.6353 -6.6353 5.8563 5.8563 6.2900 6.2900 6.5041 6.5041 7.9362 7.9362 8.4202 8.4202 8.5988 8.5988 10.2824 10.2824 10.7362 10.7362 11.5381 11.5381 13.3073 13.3073 13.7492 13.7492 17.6498 17.6498 19.8310 19.8310 k = 0.5464 0.1703-0.1698 ( 4474 PWs) bands (ev): -66.7474 -66.7474 -37.3058 -37.3058 -33.4298 -33.4298 -33.3565 -33.3565 -32.8803 -32.8803 -7.0543 -7.0543 -6.6350 -6.6350 5.8896 5.8896 6.2639 6.2639 6.4895 6.4895 8.0292 8.0292 8.3790 8.3790 8.6389 8.6389 10.2880 10.2880 10.6976 10.6976 11.5186 11.5186 13.3410 13.3410 13.7467 13.7467 17.5767 17.5767 19.7579 19.7579 k = 0.5437 0.1694-0.1542 ( 4472 PWs) bands (ev): -66.7477 -66.7477 -37.3048 -37.3048 -33.4293 -33.4293 -33.3542 -33.3542 -32.8806 -32.8806 -7.0713 -7.0713 -6.6346 -6.6346 5.9234 5.9234 6.2383 6.2383 6.4753 6.4753 8.1216 8.1216 8.3374 8.3374 8.6805 8.6805 10.2918 10.2918 10.6582 10.6582 11.4983 11.4983 13.3753 13.3753 13.7447 13.7447 17.5059 17.5059 19.6860 19.6860 k = 0.5409 0.1686-0.1386 ( 4478 PWs) bands (ev): -66.7481 -66.7481 -37.3038 -37.3038 -33.4288 -33.4288 -33.3520 -33.3520 -32.8809 -32.8809 -7.0875 -7.0875 -6.6342 -6.6342 5.9576 5.9576 6.2135 6.2135 6.4615 6.4615 8.2073 8.2073 8.3016 8.3016 8.7230 8.7230 10.2939 10.2939 10.6181 10.6181 11.4775 11.4775 13.4097 13.4097 13.7431 13.7431 17.4379 17.4379 19.6155 19.6155 k = 0.5382 0.1677-0.1230 ( 4479 PWs) bands (ev): -66.7483 -66.7483 -37.3029 -37.3029 -33.4284 -33.4284 -33.3499 -33.3499 -32.8811 -32.8811 -7.1028 -7.1028 -6.6337 -6.6337 5.9917 5.9917 6.1899 6.1899 6.4482 6.4482 8.2292 8.2292 8.3286 8.3286 8.7660 8.7660 10.2939 10.2939 10.5774 10.5774 11.4563 11.4563 13.4438 13.4438 13.7419 13.7419 17.3728 17.3728 19.5471 19.5471 k = 0.5355 0.1669-0.1073 ( 4479 PWs) bands (ev): -66.7486 -66.7486 -37.3020 -37.3020 -33.4280 -33.4280 -33.3479 -33.3479 -32.8813 -32.8813 -7.1173 -7.1173 -6.6333 -6.6333 6.0251 6.0251 6.1681 6.1681 6.4355 6.4355 8.1919 8.1919 8.4137 8.4137 8.8094 8.8094 10.2920 10.2920 10.5365 10.5365 11.4350 11.4350 13.4772 13.4772 13.7411 13.7411 17.3109 17.3109 19.4810 19.4810 k = 0.5327 0.1660-0.0917 ( 4480 PWs) bands (ev): -66.7489 -66.7489 -37.3012 -37.3012 -33.4277 -33.4277 -33.3460 -33.3460 -32.8816 -32.8816 -7.1309 -7.1309 -6.6328 -6.6328 6.0563 6.0563 6.1496 6.1496 6.4236 6.4236 8.1491 8.1491 8.5032 8.5032 8.8527 8.8527 10.2879 10.2879 10.4954 10.4954 11.4138 11.4138 13.5096 13.5096 13.7407 13.7407 17.2527 17.2527 19.4177 19.4177 k = 0.5300 0.1652-0.0761 ( 4484 PWs) bands (ev): -66.7491 -66.7491 -37.3005 -37.3005 -33.4273 -33.4273 -33.3442 -33.3442 -32.8818 -32.8818 -7.1435 -7.1435 -6.6324 -6.6324 6.0800 6.0800 6.1394 6.1394 6.4126 6.4126 8.1058 8.1058 8.5917 8.5917 8.8958 8.8958 10.2816 10.2816 10.4545 10.4545 11.3929 11.3929 13.5406 13.5406 13.7406 13.7406 17.1982 17.1982 19.3576 19.3576 k = 0.5273 0.1643-0.0605 ( 4482 PWs) bands (ev): -66.7494 -66.7494 -37.2998 -37.2998 -33.4271 -33.4271 -33.3425 -33.3425 -32.8820 -32.8820 -7.1552 -7.1552 -6.6320 -6.6320 6.0840 6.0840 6.1495 6.1495 6.4024 6.4024 8.0634 8.0634 8.6780 8.6780 8.9383 8.9383 10.2731 10.2731 10.4141 10.4141 11.3725 11.3725 13.5698 13.5698 13.7410 13.7410 17.1477 17.1477 19.3011 19.3011 k = 0.5246 0.1635-0.0448 ( 4479 PWs) bands (ev): -66.7496 -66.7496 -37.2991 -37.2991 -33.4268 -33.4268 -33.3410 -33.3410 -32.8821 -32.8821 -7.1658 -7.1658 -6.6316 -6.6316 6.0736 6.0736 6.1743 6.1743 6.3934 6.3934 8.0225 8.0225 8.7610 8.7610 8.9798 8.9798 10.2625 10.2625 10.3746 10.3746 11.3531 11.3531 13.5968 13.5968 13.7418 13.7418 17.1015 17.1015 19.2486 19.2486 k = 0.5218 0.1626-0.0292 ( 4483 PWs) bands (ev): -66.7497 -66.7497 -37.2986 -37.2986 -33.4266 -33.4266 -33.3396 -33.3396 -32.8823 -32.8823 -7.1754 -7.1754 -6.6312 -6.6312 6.0603 6.0603 6.2018 6.2018 6.3856 6.3856 7.9836 7.9836 8.8401 8.8401 9.0199 9.0199 10.2500 10.2500 10.3363 10.3363 11.3348 11.3348 13.6214 13.6214 13.7431 13.7431 17.0597 17.0597 19.2005 19.2005 k = 0.5191 0.1618-0.0136 ( 4483 PWs) bands (ev): -66.7499 -66.7499 -37.2981 -37.2981 -33.4264 -33.4264 -33.3384 -33.3384 -32.8824 -32.8824 -7.1839 -7.1839 -6.6308 -6.6308 6.0474 6.0474 6.2283 6.2283 6.3791 6.3791 7.9473 7.9473 8.9142 8.9142 9.0582 9.0582 10.2358 10.2358 10.2999 10.2999 11.3179 11.3179 13.6429 13.6429 13.7450 13.7450 17.0224 17.0224 19.1570 19.1570 k = 0.5164 0.1609 0.0020 ( 4490 PWs) bands (ev): -66.7500 -66.7500 -37.2976 -37.2976 -33.4263 -33.4263 -33.3373 -33.3373 -32.8826 -32.8826 -7.1913 -7.1913 -6.6305 -6.6305 6.0356 6.0356 6.2522 6.2522 6.3744 6.3744 7.9143 7.9143 8.9822 8.9822 9.0941 9.0941 10.2204 10.2204 10.2659 10.2659 11.3028 11.3028 13.6612 13.6612 13.7477 13.7477 16.9899 16.9899 19.1186 19.1186 k = 0.5136 0.1601 0.0177 ( 4496 PWs) bands (ev): -66.7502 -66.7502 -37.2972 -37.2972 -33.4262 -33.4262 -33.3363 -33.3363 -32.8827 -32.8827 -7.1976 -7.1976 -6.6303 -6.6303 6.0255 6.0255 6.2725 6.2725 6.3716 6.3716 7.8850 7.8850 9.0427 9.0427 9.1272 9.1272 10.2045 10.2045 10.2352 10.2352 11.2895 11.2895 13.6759 13.6759 13.7511 13.7511 16.9622 16.9622 19.0856 19.0856 k = 0.5109 0.1592 0.0333 ( 4496 PWs) bands (ev): -66.7503 -66.7503 -37.2969 -37.2969 -33.4260 -33.4260 -33.3356 -33.3356 -32.8828 -32.8828 -7.2028 -7.2028 -6.6300 -6.6300 6.0170 6.0170 6.2883 6.2883 6.3711 6.3711 7.8600 7.8600 9.0941 9.0941 9.1570 9.1570 10.1887 10.1887 10.2086 10.2086 11.2784 11.2784 13.6870 13.6870 13.7550 13.7550 16.9394 16.9394 19.0582 19.0582 k = 0.5082 0.1584 0.0489 ( 4497 PWs) bands (ev): -66.7503 -66.7503 -37.2967 -37.2967 -33.4260 -33.4260 -33.3350 -33.3350 -32.8828 -32.8828 -7.2069 -7.2069 -6.6299 -6.6299 6.0104 6.0104 6.2992 6.2992 6.3728 6.3728 7.8400 7.8400 9.1344 9.1344 9.1833 9.1833 10.1739 10.1739 10.1873 10.1873 11.2696 11.2696 13.6948 13.6948 13.7592 13.7592 16.9217 16.9217 19.0366 19.0366 k = 0.5055 0.1575 0.0645 ( 4504 PWs) bands (ev): -66.7504 -66.7504 -37.2965 -37.2965 -33.4259 -33.4259 -33.3345 -33.3345 -32.8829 -32.8829 -7.2098 -7.2098 -6.6297 -6.6297 6.0056 6.0056 6.3057 6.3057 6.3755 6.3755 7.8253 7.8253 9.1624 9.1624 9.2051 9.2051 10.1612 10.1612 10.1724 10.1724 11.2633 11.2633 13.6998 13.6998 13.7628 13.7628 16.9089 16.9089 19.0211 19.0211 k = 0.5027 0.1567 0.0802 ( 4504 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3343 -33.3343 -32.8829 -32.8829 -7.2115 -7.2115 -6.6297 -6.6297 6.0027 6.0027 6.3090 6.3090 6.3780 6.3780 7.8163 7.8163 9.1784 9.1784 9.2199 9.2199 10.1523 10.1523 10.1638 10.1638 11.2594 11.2594 13.7026 13.7026 13.7652 13.7652 16.9013 16.9013 19.0117 19.0117 k = 0.5000 0.1558 0.0958 ( 4512 PWs) bands (ev): -66.7504 -66.7504 -37.2964 -37.2964 -33.4259 -33.4259 -33.3342 -33.3342 -32.8829 -32.8829 -7.2121 -7.2121 -6.6296 -6.6296 6.0017 6.0017 6.3100 6.3100 6.3789 6.3789 7.8133 7.8133 9.1835 9.1835 9.2252 9.2252 10.1491 10.1491 10.1610 10.1610 11.2581 11.2581 13.7035 13.7035 13.7661 13.7661 16.8987 16.8987 19.0086 19.0086 k = 0.5000-0.7244-0.4453 ( 4480 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7466 -6.7466 -6.2033 -6.2033 5.0650 5.0650 6.0524 6.0524 6.3463 6.3463 6.8853 6.8853 8.3353 8.3353 8.7111 8.7111 10.0665 10.0665 11.3309 11.3309 11.8445 11.8445 13.5862 13.5862 13.7674 13.7674 20.7271 20.7271 21.2927 21.2927 k = 0.5135-0.7176-0.4412 ( 4476 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7464 -6.7464 -6.2035 -6.2035 5.0646 5.0646 6.0515 6.0515 6.3468 6.3468 6.8875 6.8875 8.3353 8.3353 8.7101 8.7101 10.0658 10.0658 11.3309 11.3309 11.8444 11.8444 13.5867 13.5867 13.7681 13.7681 20.7161 20.7161 21.3006 21.3006 k = 0.5270-0.7108-0.4370 ( 4487 PWs) bands (ev): -66.7336 -66.7336 -37.3502 -37.3502 -33.4996 -33.4996 -33.4045 -33.4045 -32.8674 -32.8674 -6.7458 -6.7458 -6.2042 -6.2042 5.0633 5.0633 6.0488 6.0488 6.3481 6.3481 6.8938 6.8938 8.3353 8.3353 8.7072 8.7072 10.0636 10.0636 11.3310 11.3310 11.8441 11.8441 13.5884 13.5884 13.7702 13.7702 20.6850 20.6850 21.3226 21.3226 k = 0.5406-0.7040-0.4328 ( 4493 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4996 -33.4996 -33.4045 -33.4045 -32.8675 -32.8675 -6.7447 -6.7447 -6.2053 -6.2053 5.0611 5.0611 6.0446 6.0446 6.3503 6.3503 6.9042 6.9042 8.3353 8.3353 8.7022 8.7022 10.0599 10.0599 11.3311 11.3311 11.8436 11.8436 13.5912 13.5912 13.7738 13.7738 20.6379 20.6379 21.3546 21.3546 k = 0.5541-0.6973-0.4287 ( 4493 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4996 -33.4996 -33.4045 -33.4045 -32.8675 -32.8675 -6.7433 -6.7433 -6.2069 -6.2069 5.0581 5.0581 6.0389 6.0389 6.3535 6.3535 6.9184 6.9184 8.3354 8.3354 8.6954 8.6954 10.0548 10.0548 11.3312 11.3312 11.8429 11.8429 13.5952 13.5952 13.7787 13.7787 20.5792 20.5792 21.3925 21.3925 k = 0.5676-0.6905-0.4245 ( 4495 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4995 -33.4995 -33.4045 -33.4045 -32.8675 -32.8675 -6.7415 -6.7415 -6.2089 -6.2089 5.0542 5.0542 6.0323 6.0323 6.3575 6.3575 6.9358 6.9358 8.3355 8.3355 8.6866 8.6866 10.0482 10.0482 11.3314 11.3314 11.8421 11.8421 13.6003 13.6003 13.7850 13.7850 20.5122 20.5122 21.4331 21.4331 k = 0.5811-0.6837-0.4203 ( 4495 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4995 -33.4995 -33.4045 -33.4045 -32.8675 -32.8675 -6.7393 -6.7393 -6.2114 -6.2114 5.0495 5.0495 6.0249 6.0249 6.3625 6.3625 6.9560 6.9560 8.3358 8.3358 8.6762 8.6762 10.0402 10.0402 11.3315 11.3315 11.8410 11.8410 13.6065 13.6065 13.7925 13.7925 20.4393 20.4393 21.4744 21.4744 k = 0.5947-0.6770-0.4162 ( 4504 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4994 -33.4994 -33.4045 -33.4045 -32.8676 -32.8676 -6.7367 -6.7367 -6.2143 -6.2143 5.0440 5.0440 6.0171 6.0171 6.3683 6.3683 6.9787 6.9787 8.3364 8.3364 8.6640 8.6640 10.0308 10.0308 11.3317 11.3317 11.8397 11.8397 13.6139 13.6139 13.8012 13.8012 20.3623 20.3623 21.5149 21.5149 k = 0.6082-0.6702-0.4120 ( 4502 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4994 -33.4994 -33.4045 -33.4045 -32.8676 -32.8676 -6.7337 -6.7337 -6.2177 -6.2177 5.0378 5.0378 6.0094 6.0094 6.3749 6.3749 7.0031 7.0031 8.3372 8.3372 8.6502 8.6502 10.0199 10.0199 11.3319 11.3319 11.8382 11.8382 13.6225 13.6225 13.8110 13.8110 20.2824 20.2824 21.5540 21.5540 k = 0.6217-0.6634-0.4078 ( 4504 PWs) bands (ev): -66.7336 -66.7336 -37.3501 -37.3501 -33.4993 -33.4993 -33.4045 -33.4045 -32.8676 -32.8676 -6.7303 -6.7303 -6.2214 -6.2214 5.0308 5.0308 6.0019 6.0019 6.3824 6.3824 7.0289 7.0289 8.3384 8.3384 8.6350 8.6350 10.0077 10.0077 11.3321 11.3321 11.8365 11.8365 13.6322 13.6322 13.8218 13.8218 20.2005 20.2005 21.5911 21.5911 k = 0.6352-0.6566-0.4037 ( 4504 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4992 -33.4992 -33.4045 -33.4045 -32.8677 -32.8677 -6.7265 -6.7265 -6.2256 -6.2256 5.0233 5.0233 5.9949 5.9949 6.3907 6.3907 7.0556 7.0556 8.3400 8.3400 8.6186 8.6186 9.9941 9.9941 11.3323 11.3323 11.8347 11.8347 13.6431 13.6431 13.8335 13.8335 20.1173 20.1173 21.6260 21.6260 k = 0.6488-0.6499-0.3995 ( 4504 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4992 -33.4992 -33.4045 -33.4045 -32.8677 -32.8677 -6.7224 -6.7224 -6.2302 -6.2302 5.0151 5.0151 5.9887 5.9887 6.3997 6.3997 7.0827 7.0827 8.3423 8.3423 8.6009 8.6009 9.9792 9.9792 11.3325 11.3325 11.8327 11.8327 13.6551 13.6551 13.8460 13.8460 20.0334 20.0334 21.6588 21.6588 k = 0.6623-0.6431-0.3953 ( 4506 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4991 -33.4991 -33.4045 -33.4045 -32.8678 -32.8678 -6.7180 -6.7180 -6.2351 -6.2351 5.0065 5.0065 5.9834 5.9834 6.4093 6.4093 7.1097 7.1097 8.3452 8.3452 8.5823 8.5823 9.9631 9.9631 11.3327 11.3327 11.8305 11.8305 13.6683 13.6683 13.8592 13.8592 19.9492 19.9492 21.6893 21.6893 k = 0.6758-0.6363-0.3912 ( 4506 PWs) bands (ev): -66.7336 -66.7336 -37.3500 -37.3500 -33.4990 -33.4990 -33.4045 -33.4045 -32.8678 -32.8678 -6.7132 -6.7132 -6.2405 -6.2405 4.9975 4.9975 5.9791 5.9791 6.4196 6.4196 7.1363 7.1363 8.3487 8.3487 8.5629 8.5629 9.9458 9.9458 11.3328 11.3328 11.8281 11.8281 13.6826 13.6826 13.8729 13.8729 19.8653 19.8653 21.7179 21.7179 k = 0.6893-0.6295-0.3870 ( 4507 PWs) bands (ev): -66.7336 -66.7336 -37.3499 -37.3499 -33.4989 -33.4989 -33.4045 -33.4045 -32.8679 -32.8679 -6.7082 -6.7082 -6.2462 -6.2462 4.9882 4.9882 5.9760 5.9760 6.4303 6.4303 7.1620 7.1620 8.3531 8.3531 8.5430 8.5430 9.9275 9.9275 11.3329 11.3329 11.8256 11.8256 13.6980 13.6980 13.8870 13.8870 19.7818 19.7818 21.7445 21.7445 k = 0.7028-0.6228-0.3828 ( 4502 PWs) bands (ev): -66.7336 -66.7336 -37.3499 -37.3499 -33.4988 -33.4988 -33.4044 -33.4044 -32.8679 -32.8679 -6.7028 -6.7028 -6.2523 -6.2523 4.9788 4.9788 5.9741 5.9741 6.4416 6.4416 7.1864 7.1864 8.3582 8.3582 8.5228 8.5228 9.9082 9.9082 11.3330 11.3330 11.8229 11.8229 13.7144 13.7144 13.9014 13.9014 19.6993 19.6993 21.7695 21.7695 k = 0.7164-0.6160-0.3787 ( 4499 PWs) bands (ev): -66.7336 -66.7336 -37.3499 -37.3499 -33.4987 -33.4987 -33.4044 -33.4044 -32.8680 -32.8680 -6.6971 -6.6971 -6.2587 -6.2587 4.9693 4.9693 5.9735 5.9735 6.4532 6.4532 7.2093 7.2093 8.3638 8.3638 8.5027 8.5027 9.8881 9.8881 11.3331 11.3331 11.8202 11.8202 13.7318 13.7318 13.9158 13.9158 19.6180 19.6180 21.7930 21.7930 k = 0.7299-0.6092-0.3745 ( 4499 PWs) bands (ev): -66.7337 -66.7337 -37.3498 -37.3498 -33.4985 -33.4985 -33.4044 -33.4044 -32.8681 -32.8681 -6.6912 -6.6912 -6.2654 -6.2654 4.9599 4.9599 5.9741 5.9741 6.4650 6.4650 7.2302 7.2302 8.3697 8.3697 8.4833 8.4833 9.8673 9.8673 11.3331 11.3331 11.8174 11.8174 13.7500 13.7500 13.9303 13.9303 19.5381 19.5381 21.8153 21.8153 k = 0.7434-0.6024-0.3704 ( 4493 PWs) bands (ev): -66.7337 -66.7337 -37.3498 -37.3498 -33.4984 -33.4984 -33.4044 -33.4044 -32.8681 -32.8681 -6.6850 -6.6850 -6.2724 -6.2724 4.9507 4.9507 5.9759 5.9759 6.4771 6.4771 7.2491 7.2491 8.3750 8.3750 8.4655 8.4655 9.8461 9.8461 11.3331 11.3331 11.8145 11.8145 13.7690 13.7690 13.9446 13.9446 19.4601 19.4601 21.8366 21.8366 k = 0.7569-0.5957-0.3662 ( 4489 PWs) bands (ev): -66.7337 -66.7337 -37.3497 -37.3497 -33.4983 -33.4983 -33.4044 -33.4044 -32.8682 -32.8682 -6.6786 -6.6786 -6.2797 -6.2797 4.9418 4.9418 5.9789 5.9789 6.4892 6.4892 7.2655 7.2655 8.3779 8.3779 8.4513 8.4513 9.8246 9.8246 11.3330 11.3330 11.8116 11.8116 13.7886 13.7886 13.9585 13.9585 19.3840 19.3840 21.8571 21.8571 k = 0.7705-0.5889-0.3620 ( 4489 PWs) bands (ev): -66.7337 -66.7337 -37.3497 -37.3497 -33.4981 -33.4981 -33.4044 -33.4044 -32.8682 -32.8682 -6.6721 -6.6721 -6.2872 -6.2872 4.9333 4.9333 5.9830 5.9830 6.5012 6.5012 7.2794 7.2794 8.3754 8.3754 8.4437 8.4437 9.8032 9.8032 11.3329 11.3329 11.8086 11.8086 13.8088 13.8088 13.9721 13.9721 19.3103 19.3103 21.8770 21.8770 k = 0.7840-0.5821-0.3579 ( 4487 PWs) bands (ev): -66.7337 -66.7337 -37.3496 -37.3496 -33.4980 -33.4980 -33.4043 -33.4043 -32.8683 -32.8683 -6.6653 -6.6653 -6.2950 -6.2950 4.9254 4.9254 5.9883 5.9883 6.5131 6.5131 7.2905 7.2905 8.3663 8.3663 8.4441 8.4441 9.7820 9.7820 11.3327 11.3327 11.8057 11.8057 13.8293 13.8293 13.9851 13.9851 19.2391 19.2391 21.8965 21.8965 k = 0.7975-0.5753-0.3537 ( 4489 PWs) bands (ev): -66.7337 -66.7337 -37.3496 -37.3496 -33.4979 -33.4979 -33.4043 -33.4043 -32.8684 -32.8684 -6.6585 -6.6585 -6.3029 -6.3029 4.9182 4.9182 5.9945 5.9945 6.5247 6.5247 7.2990 7.2990 8.3526 8.3526 8.4503 8.4503 9.7613 9.7613 11.3325 11.3325 11.8028 11.8028 13.8501 13.8501 13.9974 13.9974 19.1707 19.1707 21.9159 21.9159 k = 0.8110-0.5686-0.3495 ( 4490 PWs) bands (ev): -66.7337 -66.7337 -37.3495 -37.3495 -33.4977 -33.4977 -33.4043 -33.4043 -32.8684 -32.8684 -6.6515 -6.6515 -6.3110 -6.3110 4.9118 4.9118 6.0018 6.0018 6.5358 6.5358 7.3047 7.3047 8.3371 8.3371 8.4594 8.4594 9.7416 9.7416 11.3323 11.3323 11.7999 11.7999 13.8708 13.8708 14.0090 14.0090 19.1053 19.1053 21.9353 21.9353 Writing output data file LiRhO2.save init_run : 0.23s CPU 0.38s WALL ( 1 calls) electrons : 180.07s CPU 182.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 180.06s CPU 182.30s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 406 calls) cegterg : 162.51s CPU 164.14s WALL ( 468 calls) Called by sum_band: Called by *egterg: h_psi : 130.56s CPU 131.90s WALL ( 7829 calls) s_psi : 1.90s CPU 1.83s WALL ( 7829 calls) g_psi : 0.20s CPU 0.21s WALL ( 6955 calls) cdiaghg : 34.10s CPU 34.69s WALL ( 7361 calls) cegterg:over : 4.10s CPU 4.07s WALL ( 6955 calls) cegterg:upda : 3.36s CPU 3.42s WALL ( 6955 calls) cegterg:last : 2.01s CPU 2.03s WALL ( 1280 calls) cdiaghg:chol : 1.81s CPU 1.91s WALL ( 7361 calls) cdiaghg:inve : 1.00s CPU 0.99s WALL ( 7361 calls) cdiaghg:para : 1.93s CPU 2.01s WALL ( 14722 calls) Called by h_psi: h_psi:vloc : 125.46s CPU 126.71s WALL ( 7829 calls) h_psi:vnl : 4.92s CPU 5.01s WALL ( 7829 calls) add_vuspsi : 2.36s CPU 2.32s WALL ( 7829 calls) General routines calbec : 2.52s CPU 2.67s WALL ( 7829 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 118.50s CPU 119.81s WALL ( 656176 calls) davcio : 0.18s CPU 0.29s WALL ( 812 calls) Parallel routines fft_scatter : 28.66s CPU 28.93s WALL ( 656191 calls) PWSCF : 3m17.26s CPU 3m47.88s WALL This run was terminated on: 20:51:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=