Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 0:22 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: ./Zr2Cd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 150 46 14 3393 586 101 Max 151 47 15 3395 603 103 Sum 5401 1679 521 122193 21349 3679 bravais-lattice index = 14 lattice parameter (alat) = 13.3156 a.u. unit-cell volume = 447.6298 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.315594 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.900076 celldm(5)= -0.900076 celldm(6)= 0.800153 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.800153 0.599796 0.000000 ) a(3) = ( -0.900076 -0.299898 0.316107 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.334042 1.581744 ) b(2) = ( 0.000000 1.667234 1.581744 ) b(3) = ( 0.000000 0.000000 3.163488 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Zr 4.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0000000 0.0222781), wk = 0.0024155 k( 3) = ( 0.0000000 0.0000000 0.0445562), wk = 0.0024155 k( 4) = ( 0.0000000 0.0000000 0.0668342), wk = 0.0024155 k( 5) = ( 0.0000000 0.0000000 0.0891123), wk = 0.0024155 k( 6) = ( 0.0000000 0.0000000 0.1113904), wk = 0.0024155 k( 7) = ( 0.0000000 0.0000000 0.1336685), wk = 0.0024155 k( 8) = ( 0.0000000 0.0000000 0.1559466), wk = 0.0024155 k( 9) = ( 0.0000000 0.0000000 0.1782247), wk = 0.0024155 k( 10) = ( 0.0000000 0.0000000 0.2005027), wk = 0.0024155 k( 11) = ( 0.0000000 0.0000000 0.2227808), wk = 0.0024155 k( 12) = ( 0.0000000 0.0000000 0.2450589), wk = 0.0024155 k( 13) = ( 0.0000000 0.0000000 0.2673370), wk = 0.0024155 k( 14) = ( 0.0000000 0.0000000 0.2896151), wk = 0.0024155 k( 15) = ( 0.0000000 0.0000000 0.3118932), wk = 0.0024155 k( 16) = ( 0.0000000 0.0000000 0.3341712), wk = 0.0024155 k( 17) = ( 0.0000000 0.0000000 0.3564493), wk = 0.0024155 k( 18) = ( 0.0000000 0.0000000 0.3787274), wk = 0.0024155 k( 19) = ( 0.0000000 0.0000000 0.4010055), wk = 0.0024155 k( 20) = ( 0.0000000 0.0000000 0.4232836), wk = 0.0024155 k( 21) = ( 0.0000000 0.0000000 0.4455616), wk = 0.0024155 k( 22) = ( 0.0000000 0.0000000 0.4678397), wk = 0.0024155 k( 23) = ( 0.0000000 0.0000000 0.4901178), wk = 0.0024155 k( 24) = ( 0.0000000 0.0000000 0.5123959), wk = 0.0024155 k( 25) = ( 0.0000000 0.0000000 0.5346740), wk = 0.0024155 k( 26) = ( 0.0000000 0.0000000 0.5569521), wk = 0.0024155 k( 27) = ( 0.0000000 0.0000000 0.5792301), wk = 0.0024155 k( 28) = ( 0.0000000 0.0000000 0.6015082), wk = 0.0024155 k( 29) = ( 0.0000000 0.0000000 0.6237863), wk = 0.0024155 k( 30) = ( 0.0000000 0.0000000 0.6460644), wk = 0.0024155 k( 31) = ( 0.0000000 0.0000000 0.6683425), wk = 0.0024155 k( 32) = ( 0.0000000 0.0000000 0.6906206), wk = 0.0024155 k( 33) = ( 0.0000000 0.0000000 0.7128986), wk = 0.0024155 k( 34) = ( 0.0000000 0.0000000 0.7351767), wk = 0.0024155 k( 35) = ( 0.0000000 0.0000000 0.7574548), wk = 0.0024155 k( 36) = ( 0.0000000 0.0000000 0.7797329), wk = 0.0024155 k( 37) = ( 0.0000000 0.0000000 0.8020110), wk = 0.0024155 k( 38) = ( 0.0000000 0.0000000 0.8242890), wk = 0.0024155 k( 39) = ( 0.0000000 0.0000000 0.8465671), wk = 0.0024155 k( 40) = ( 0.0000000 0.0000000 0.8688452), wk = 0.0024155 k( 41) = ( 0.0000000 0.0000000 0.8911233), wk = 0.0024155 k( 42) = ( 0.0000000 0.0000000 0.9134014), wk = 0.0024155 k( 43) = ( 0.0000000 0.0000000 0.9356795), wk = 0.0024155 k( 44) = ( 0.0000000 0.0000000 0.9579575), wk = 0.0024155 k( 45) = ( 0.0000000 0.0000000 0.9802356), wk = 0.0024155 k( 46) = ( 0.0000000 0.0000000 1.0025137), wk = 0.0024155 k( 47) = ( 0.0000000 0.0000000 1.0247918), wk = 0.0024155 k( 48) = ( 0.0000000 0.0000000 1.0470699), wk = 0.0024155 k( 49) = ( 0.0000000 0.0000000 1.0693480), wk = 0.0024155 k( 50) = ( 0.0000000 0.0000000 1.0916260), wk = 0.0024155 k( 51) = ( 0.0000000 0.0000000 1.1139041), wk = 0.0024155 k( 52) = ( 0.0000000 0.0000000 1.1361822), wk = 0.0024155 k( 53) = ( 0.0000000 0.0000000 1.1584603), wk = 0.0024155 k( 54) = ( 0.0000000 0.0000000 1.1807384), wk = 0.0024155 k( 55) = ( 0.0000000 0.0000000 1.2030164), wk = 0.0024155 k( 56) = ( 0.0000000 0.0000000 1.2252945), wk = 0.0024155 k( 57) = ( 0.0000000 0.0000000 1.2475726), wk = 0.0024155 k( 58) = ( 0.0000000 0.0000000 1.2698507), wk = 0.0024155 k( 59) = ( 0.0000000 0.0000000 1.2921288), wk = 0.0024155 k( 60) = ( 0.0000000 0.0000000 1.3144069), wk = 0.0024155 k( 61) = ( 0.0000000 0.0000000 1.3366849), wk = 0.0024155 k( 62) = ( 0.0000000 0.0000000 1.3589630), wk = 0.0024155 k( 63) = ( 0.0000000 0.0000000 1.3812411), wk = 0.0024155 k( 64) = ( 0.0000000 0.0000000 1.4035192), wk = 0.0024155 k( 65) = ( 0.0000000 0.0000000 1.4257973), wk = 0.0024155 k( 66) = ( 0.0000000 0.0000000 1.4480754), wk = 0.0024155 k( 67) = ( 0.0000000 0.0000000 1.4703534), wk = 0.0024155 k( 68) = ( 0.0000000 0.0000000 1.4926315), wk = 0.0024155 k( 69) = ( 0.0000000 0.0000000 1.5149096), wk = 0.0024155 k( 70) = ( 0.0000000 0.0000000 1.5371877), wk = 0.0024155 k( 71) = ( 0.0000000 0.0000000 1.5594658), wk = 0.0024155 k( 72) = ( 0.0000000 0.0000000 1.5817438), wk = 0.0024155 k( 73) = ( 0.0000000 0.0000000 1.5817438), wk = 0.0024155 k( 74) = ( -0.0069385 0.0208245 1.5817438), wk = 0.0024155 k( 75) = ( -0.0138771 0.0416490 1.5817438), wk = 0.0024155 k( 76) = ( -0.0208156 0.0624734 1.5817438), wk = 0.0024155 k( 77) = ( -0.0277542 0.0832979 1.5817438), wk = 0.0024155 k( 78) = ( -0.0277542 0.0832979 1.5817438), wk = 0.0024155 k( 79) = ( -0.0326734 0.0980619 1.5661819), wk = 0.0024155 k( 80) = ( -0.0375926 0.1128258 1.5506200), wk = 0.0024155 k( 81) = ( -0.0425119 0.1275898 1.5350581), wk = 0.0024155 k( 82) = ( -0.0474311 0.1423537 1.5194962), wk = 0.0024155 k( 83) = ( -0.0523503 0.1571177 1.5039343), wk = 0.0024155 k( 84) = ( -0.0572695 0.1718817 1.4883724), wk = 0.0024155 k( 85) = ( -0.0621888 0.1866456 1.4728104), wk = 0.0024155 k( 86) = ( -0.0671080 0.2014096 1.4572485), wk = 0.0024155 k( 87) = ( -0.0720272 0.2161735 1.4416866), wk = 0.0024155 k( 88) = ( -0.0769464 0.2309375 1.4261247), wk = 0.0024155 k( 89) = ( -0.0818657 0.2457014 1.4105628), wk = 0.0024155 k( 90) = ( -0.0867849 0.2604654 1.3950009), wk = 0.0024155 k( 91) = ( -0.0917041 0.2752294 1.3794389), wk = 0.0024155 k( 92) = ( -0.0966234 0.2899933 1.3638770), wk = 0.0024155 k( 93) = ( -0.1015426 0.3047573 1.3483151), wk = 0.0024155 k( 94) = ( -0.1064618 0.3195212 1.3327532), wk = 0.0024155 k( 95) = ( -0.1113810 0.3342852 1.3171913), wk = 0.0024155 k( 96) = ( -0.1163003 0.3490491 1.3016294), wk = 0.0024155 k( 97) = ( -0.1212195 0.3638131 1.2860675), wk = 0.0024155 k( 98) = ( -0.1261387 0.3785770 1.2705055), wk = 0.0024155 k( 99) = ( -0.1310580 0.3933410 1.2549436), wk = 0.0024155 k( 100) = ( -0.1359772 0.4081050 1.2393817), wk = 0.0024155 k( 101) = ( -0.1408964 0.4228689 1.2238198), wk = 0.0024155 k( 102) = ( -0.1458156 0.4376329 1.2082579), wk = 0.0024155 k( 103) = ( -0.1507349 0.4523968 1.1926960), wk = 0.0024155 k( 104) = ( -0.1556541 0.4671608 1.1771341), wk = 0.0024155 k( 105) = ( -0.1605733 0.4819247 1.1615721), wk = 0.0024155 k( 106) = ( -0.1654925 0.4966887 1.1460102), wk = 0.0024155 k( 107) = ( -0.1704118 0.5114527 1.1304483), wk = 0.0024155 k( 108) = ( -0.1753310 0.5262166 1.1148864), wk = 0.0024155 k( 109) = ( -0.1802502 0.5409806 1.0993245), wk = 0.0024155 k( 110) = ( -0.1851695 0.5557445 1.0837625), wk = 0.0024155 k( 111) = ( -0.1900887 0.5705085 1.0682007), wk = 0.0024155 k( 112) = ( -0.1950079 0.5852724 1.0526387), wk = 0.0024155 k( 113) = ( -0.1999271 0.6000364 1.0370768), wk = 0.0024155 k( 114) = ( -0.2048464 0.6148004 1.0215149), wk = 0.0024155 k( 115) = ( -0.2097656 0.6295643 1.0059530), wk = 0.0024155 k( 116) = ( -0.2146848 0.6443282 0.9903911), wk = 0.0024155 k( 117) = ( -0.2196040 0.6590922 0.9748291), wk = 0.0024155 k( 118) = ( -0.2245233 0.6738562 0.9592672), wk = 0.0024155 k( 119) = ( -0.2294425 0.6886201 0.9437053), wk = 0.0024155 k( 120) = ( -0.2343617 0.7033841 0.9281434), wk = 0.0024155 k( 121) = ( -0.2392809 0.7181480 0.9125815), wk = 0.0024155 k( 122) = ( -0.2442002 0.7329120 0.8970196), wk = 0.0024155 k( 123) = ( -0.2491194 0.7476759 0.8814577), wk = 0.0024155 k( 124) = ( -0.2540386 0.7624399 0.8658957), wk = 0.0024155 k( 125) = ( -0.2589579 0.7772039 0.8503338), wk = 0.0024155 k( 126) = ( -0.2638771 0.7919678 0.8347719), wk = 0.0024155 k( 127) = ( -0.2638771 0.7919678 0.8347719), wk = 0.0024155 k( 128) = ( -0.2588983 0.7770250 0.8190215), wk = 0.0024155 k( 129) = ( -0.2539195 0.7620822 0.8032711), wk = 0.0024155 k( 130) = ( -0.2489407 0.7471395 0.7875207), wk = 0.0024155 k( 131) = ( -0.2439618 0.7321967 0.7717702), wk = 0.0024155 k( 132) = ( -0.2389830 0.7172539 0.7560198), wk = 0.0024155 k( 133) = ( -0.2340042 0.7023111 0.7402694), wk = 0.0024155 k( 134) = ( -0.2290254 0.6873683 0.7245190), wk = 0.0024155 k( 135) = ( -0.2240466 0.6724255 0.7087686), wk = 0.0024155 k( 136) = ( -0.2190678 0.6574827 0.6930182), wk = 0.0024155 k( 137) = ( -0.2140890 0.6425399 0.6772678), wk = 0.0024155 k( 138) = ( -0.2091101 0.6275971 0.6615174), wk = 0.0024155 k( 139) = ( -0.2041313 0.6126543 0.6457669), wk = 0.0024155 k( 140) = ( -0.1991525 0.5977116 0.6300165), wk = 0.0024155 k( 141) = ( -0.1941737 0.5827688 0.6142661), wk = 0.0024155 k( 142) = ( -0.1891949 0.5678260 0.5985157), wk = 0.0024155 k( 143) = ( -0.1842161 0.5528832 0.5827653), wk = 0.0024155 k( 144) = ( -0.1792373 0.5379404 0.5670149), wk = 0.0024155 k( 145) = ( -0.1742585 0.5229976 0.5512645), wk = 0.0024155 k( 146) = ( -0.1692796 0.5080548 0.5355141), wk = 0.0024155 k( 147) = ( -0.1643008 0.4931120 0.5197637), wk = 0.0024155 k( 148) = ( -0.1593220 0.4781692 0.5040132), wk = 0.0024155 k( 149) = ( -0.1543432 0.4632265 0.4882628), wk = 0.0024155 k( 150) = ( -0.1493644 0.4482837 0.4725124), wk = 0.0024155 k( 151) = ( -0.1443856 0.4333409 0.4567620), wk = 0.0024155 k( 152) = ( -0.1394068 0.4183981 0.4410116), wk = 0.0024155 k( 153) = ( -0.1344279 0.4034553 0.4252612), wk = 0.0024155 k( 154) = ( -0.1294491 0.3885125 0.4095108), wk = 0.0024155 k( 155) = ( -0.1244703 0.3735697 0.3937603), wk = 0.0024155 k( 156) = ( -0.1194915 0.3586269 0.3780099), wk = 0.0024155 k( 157) = ( -0.1145127 0.3436842 0.3622595), wk = 0.0024155 k( 158) = ( -0.1095339 0.3287414 0.3465091), wk = 0.0024155 k( 159) = ( -0.1045551 0.3137986 0.3307587), wk = 0.0024155 k( 160) = ( -0.0995763 0.2988558 0.3150083), wk = 0.0024155 k( 161) = ( -0.0945974 0.2839130 0.2992579), wk = 0.0024155 k( 162) = ( -0.0896186 0.2689702 0.2835074), wk = 0.0024155 k( 163) = ( -0.0846398 0.2540274 0.2677570), wk = 0.0024155 k( 164) = ( -0.0796610 0.2390846 0.2520066), wk = 0.0024155 k( 165) = ( -0.0746822 0.2241418 0.2362562), wk = 0.0024155 k( 166) = ( -0.0697034 0.2091990 0.2205058), wk = 0.0024155 k( 167) = ( -0.0647246 0.1942563 0.2047554), wk = 0.0024155 k( 168) = ( -0.0597458 0.1793135 0.1890050), wk = 0.0024155 k( 169) = ( -0.0547669 0.1643707 0.1732545), wk = 0.0024155 k( 170) = ( -0.0497881 0.1494279 0.1575041), wk = 0.0024155 k( 171) = ( -0.0448093 0.1344851 0.1417537), wk = 0.0024155 k( 172) = ( -0.0398305 0.1195423 0.1260033), wk = 0.0024155 k( 173) = ( -0.0348517 0.1045995 0.1102529), wk = 0.0024155 k( 174) = ( -0.0298729 0.0896567 0.0945025), wk = 0.0024155 k( 175) = ( -0.0248941 0.0747139 0.0787521), wk = 0.0024155 k( 176) = ( -0.0199152 0.0597712 0.0630016), wk = 0.0024155 k( 177) = ( -0.0149364 0.0448284 0.0472512), wk = 0.0024155 k( 178) = ( -0.0099576 0.0298856 0.0315008), wk = 0.0024155 k( 179) = ( -0.0049788 0.0149428 0.0157504), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 182) = ( 0.0208333 0.0069415 0.0000000), wk = 0.0024155 k( 183) = ( 0.0416667 0.0138830 0.0000000), wk = 0.0024155 k( 184) = ( 0.0625000 0.0208245 0.0000000), wk = 0.0024155 k( 185) = ( 0.0833333 0.0277660 0.0000000), wk = 0.0024155 k( 186) = ( 0.1041667 0.0347075 0.0000000), wk = 0.0024155 k( 187) = ( 0.1250000 0.0416490 0.0000000), wk = 0.0024155 k( 188) = ( 0.1458333 0.0485905 0.0000000), wk = 0.0024155 k( 189) = ( 0.1666667 0.0555319 0.0000000), wk = 0.0024155 k( 190) = ( 0.1875000 0.0624734 0.0000000), wk = 0.0024155 k( 191) = ( 0.2083333 0.0694149 0.0000000), wk = 0.0024155 k( 192) = ( 0.2291667 0.0763564 0.0000000), wk = 0.0024155 k( 193) = ( 0.2500000 0.0832979 0.0000000), wk = 0.0024155 k( 194) = ( 0.2708333 0.0902394 0.0000000), wk = 0.0024155 k( 195) = ( 0.2916667 0.0971809 0.0000000), wk = 0.0024155 k( 196) = ( 0.3125000 0.1041224 0.0000000), wk = 0.0024155 k( 197) = ( 0.3333333 0.1110639 0.0000000), wk = 0.0024155 k( 198) = ( 0.3541667 0.1180054 0.0000000), wk = 0.0024155 k( 199) = ( 0.3750000 0.1249469 0.0000000), wk = 0.0024155 k( 200) = ( 0.3958333 0.1318884 0.0000000), wk = 0.0024155 k( 201) = ( 0.4166667 0.1388299 0.0000000), wk = 0.0024155 k( 202) = ( 0.4375000 0.1457714 0.0000000), wk = 0.0024155 k( 203) = ( 0.4583333 0.1527129 0.0000000), wk = 0.0024155 k( 204) = ( 0.4791667 0.1596543 0.0000000), wk = 0.0024155 k( 205) = ( 0.5000000 0.1665958 0.0000000), wk = 0.0024155 k( 206) = ( 0.5000000 0.1665958 0.0000000), wk = 0.0024155 k( 207) = ( 0.4950808 0.1813598 0.0155619), wk = 0.0024155 k( 208) = ( 0.4901616 0.1961237 0.0311238), wk = 0.0024155 k( 209) = ( 0.4852423 0.2108877 0.0466857), wk = 0.0024155 k( 210) = ( 0.4803231 0.2256517 0.0622477), wk = 0.0024155 k( 211) = ( 0.4754039 0.2404156 0.0778096), wk = 0.0024155 k( 212) = ( 0.4704846 0.2551796 0.0933715), wk = 0.0024155 k( 213) = ( 0.4655654 0.2699435 0.1089334), wk = 0.0024155 k( 214) = ( 0.4606462 0.2847075 0.1244953), wk = 0.0024155 k( 215) = ( 0.4557270 0.2994715 0.1400572), wk = 0.0024155 k( 216) = ( 0.4508077 0.3142354 0.1556191), wk = 0.0024155 k( 217) = ( 0.4458885 0.3289994 0.1711811), wk = 0.0024155 k( 218) = ( 0.4409693 0.3437633 0.1867430), wk = 0.0024155 k( 219) = ( 0.4360500 0.3585273 0.2023049), wk = 0.0024155 k( 220) = ( 0.4311308 0.3732912 0.2178668), wk = 0.0024155 k( 221) = ( 0.4262116 0.3880552 0.2334287), wk = 0.0024155 k( 222) = ( 0.4212924 0.4028191 0.2489906), wk = 0.0024155 k( 223) = ( 0.4163731 0.4175831 0.2645526), wk = 0.0024155 k( 224) = ( 0.4114539 0.4323470 0.2801145), wk = 0.0024155 k( 225) = ( 0.4065347 0.4471110 0.2956764), wk = 0.0024155 k( 226) = ( 0.4016154 0.4618750 0.3112383), wk = 0.0024155 k( 227) = ( 0.3966962 0.4766389 0.3268002), wk = 0.0024155 k( 228) = ( 0.3917770 0.4914029 0.3423621), wk = 0.0024155 k( 229) = ( 0.3868578 0.5061668 0.3579241), wk = 0.0024155 k( 230) = ( 0.3819385 0.5209308 0.3734860), wk = 0.0024155 k( 231) = ( 0.3770193 0.5356947 0.3890479), wk = 0.0024155 k( 232) = ( 0.3721001 0.5504587 0.4046098), wk = 0.0024155 k( 233) = ( 0.3671809 0.5652227 0.4201717), wk = 0.0024155 k( 234) = ( 0.3622616 0.5799866 0.4357336), wk = 0.0024155 k( 235) = ( 0.3573424 0.5947506 0.4512955), wk = 0.0024155 k( 236) = ( 0.3524232 0.6095145 0.4668575), wk = 0.0024155 k( 237) = ( 0.3475040 0.6242785 0.4824194), wk = 0.0024155 k( 238) = ( 0.3425847 0.6390425 0.4979813), wk = 0.0024155 k( 239) = ( 0.3376655 0.6538064 0.5135432), wk = 0.0024155 k( 240) = ( 0.3327463 0.6685704 0.5291051), wk = 0.0024155 k( 241) = ( 0.3278270 0.6833343 0.5446670), wk = 0.0024155 k( 242) = ( 0.3229078 0.6980983 0.5602289), wk = 0.0024155 k( 243) = ( 0.3179886 0.7128622 0.5757909), wk = 0.0024155 k( 244) = ( 0.3130694 0.7276262 0.5913528), wk = 0.0024155 k( 245) = ( 0.3081501 0.7423901 0.6069147), wk = 0.0024155 k( 246) = ( 0.3032309 0.7571541 0.6224766), wk = 0.0024155 k( 247) = ( 0.2983117 0.7719180 0.6380385), wk = 0.0024155 k( 248) = ( 0.2933925 0.7866820 0.6536004), wk = 0.0024155 k( 249) = ( 0.2884732 0.8014460 0.6691624), wk = 0.0024155 k( 250) = ( 0.2835540 0.8162099 0.6847243), wk = 0.0024155 k( 251) = ( 0.2786348 0.8309739 0.7002862), wk = 0.0024155 k( 252) = ( 0.2737155 0.8457378 0.7158481), wk = 0.0024155 k( 253) = ( 0.2687963 0.8605018 0.7314100), wk = 0.0024155 k( 254) = ( 0.2638771 0.8752657 0.7469719), wk = 0.0024155 k( 255) = ( 0.2638771 0.8752657 0.7469719), wk = 0.0024155 k( 256) = ( 0.2435789 0.8720620 0.7503488), wk = 0.0024155 k( 257) = ( 0.2232806 0.8688582 0.7537258), wk = 0.0024155 k( 258) = ( 0.2029824 0.8656544 0.7571027), wk = 0.0024155 k( 259) = ( 0.1826841 0.8624507 0.7604796), wk = 0.0024155 k( 260) = ( 0.1623859 0.8592469 0.7638565), wk = 0.0024155 k( 261) = ( 0.1420877 0.8560432 0.7672335), wk = 0.0024155 k( 262) = ( 0.1217894 0.8528394 0.7706104), wk = 0.0024155 k( 263) = ( 0.1014912 0.8496356 0.7739873), wk = 0.0024155 k( 264) = ( 0.0811929 0.8464318 0.7773642), wk = 0.0024155 k( 265) = ( 0.0608947 0.8432281 0.7807412), wk = 0.0024155 k( 266) = ( 0.0405965 0.8400243 0.7841181), wk = 0.0024155 k( 267) = ( 0.0202982 0.8368205 0.7874950), wk = 0.0024155 k( 268) = ( 0.0000000 0.8336168 0.7908719), wk = 0.0024155 k( 269) = ( 0.0000000 0.8336168 0.7908719), wk = 0.0024155 k( 270) = ( 0.0050000 0.8186104 0.8066894), wk = 0.0024155 k( 271) = ( 0.0100000 0.8036040 0.8225068), wk = 0.0024155 k( 272) = ( 0.0150000 0.7885976 0.8383242), wk = 0.0024155 k( 273) = ( 0.0200000 0.7735913 0.8541417), wk = 0.0024155 k( 274) = ( 0.0250000 0.7585849 0.8699591), wk = 0.0024155 k( 275) = ( 0.0300000 0.7435785 0.8857766), wk = 0.0024155 k( 276) = ( 0.0350000 0.7285721 0.9015940), wk = 0.0024155 k( 277) = ( 0.0400000 0.7135658 0.9174114), wk = 0.0024155 k( 278) = ( 0.0450000 0.6985594 0.9332289), wk = 0.0024155 k( 279) = ( 0.0500000 0.6835530 0.9490463), wk = 0.0024155 k( 280) = ( 0.0550000 0.6685466 0.9648637), wk = 0.0024155 k( 281) = ( 0.0600000 0.6535403 0.9806812), wk = 0.0024155 k( 282) = ( 0.0650000 0.6385339 0.9964986), wk = 0.0024155 k( 283) = ( 0.0700000 0.6235275 1.0123161), wk = 0.0024155 k( 284) = ( 0.0750000 0.6085211 1.0281335), wk = 0.0024155 k( 285) = ( 0.0800000 0.5935147 1.0439509), wk = 0.0024155 k( 286) = ( 0.0850000 0.5785084 1.0597684), wk = 0.0024155 k( 287) = ( 0.0900000 0.5635020 1.0755858), wk = 0.0024155 k( 288) = ( 0.0950000 0.5484956 1.0914033), wk = 0.0024155 k( 289) = ( 0.1000000 0.5334892 1.1072207), wk = 0.0024155 k( 290) = ( 0.1050000 0.5184829 1.1230381), wk = 0.0024155 k( 291) = ( 0.1100000 0.5034765 1.1388556), wk = 0.0024155 k( 292) = ( 0.1150000 0.4884701 1.1546730), wk = 0.0024155 k( 293) = ( 0.1200000 0.4734637 1.1704904), wk = 0.0024155 k( 294) = ( 0.1250000 0.4584574 1.1863079), wk = 0.0024155 k( 295) = ( 0.1300000 0.4434510 1.2021253), wk = 0.0024155 k( 296) = ( 0.1350000 0.4284446 1.2179428), wk = 0.0024155 k( 297) = ( 0.1400000 0.4134382 1.2337602), wk = 0.0024155 k( 298) = ( 0.1450000 0.3984318 1.2495776), wk = 0.0024155 k( 299) = ( 0.1500000 0.3834255 1.2653951), wk = 0.0024155 k( 300) = ( 0.1550000 0.3684191 1.2812125), wk = 0.0024155 k( 301) = ( 0.1600000 0.3534127 1.2970300), wk = 0.0024155 k( 302) = ( 0.1650000 0.3384063 1.3128474), wk = 0.0024155 k( 303) = ( 0.1700000 0.3234000 1.3286648), wk = 0.0024155 k( 304) = ( 0.1750000 0.3083936 1.3444823), wk = 0.0024155 k( 305) = ( 0.1800000 0.2933872 1.3602997), wk = 0.0024155 k( 306) = ( 0.1850000 0.2783808 1.3761171), wk = 0.0024155 k( 307) = ( 0.1900000 0.2633744 1.3919346), wk = 0.0024155 k( 308) = ( 0.1950000 0.2483681 1.4077520), wk = 0.0024155 k( 309) = ( 0.2000000 0.2333617 1.4235695), wk = 0.0024155 k( 310) = ( 0.2050000 0.2183553 1.4393869), wk = 0.0024155 k( 311) = ( 0.2100000 0.2033489 1.4552043), wk = 0.0024155 k( 312) = ( 0.2150000 0.1883426 1.4710218), wk = 0.0024155 k( 313) = ( 0.2200000 0.1733362 1.4868392), wk = 0.0024155 k( 314) = ( 0.2250000 0.1583298 1.5026566), wk = 0.0024155 k( 315) = ( 0.2300000 0.1433234 1.5184741), wk = 0.0024155 k( 316) = ( 0.2350000 0.1283171 1.5342915), wk = 0.0024155 k( 317) = ( 0.2400000 0.1133107 1.5501090), wk = 0.0024155 k( 318) = ( 0.2450000 0.0983043 1.5659264), wk = 0.0024155 k( 319) = ( 0.2500000 0.0832979 1.5817438), wk = 0.0024155 k( 320) = ( 0.2500000 0.0832979 1.5817438), wk = 0.0024155 k( 321) = ( 0.2692308 0.0897055 1.5749900), wk = 0.0024155 k( 322) = ( 0.2884615 0.0961130 1.5682362), wk = 0.0024155 k( 323) = ( 0.3076923 0.1025205 1.5614823), wk = 0.0024155 k( 324) = ( 0.3269231 0.1089280 1.5547285), wk = 0.0024155 k( 325) = ( 0.3461538 0.1153356 1.5479746), wk = 0.0024155 k( 326) = ( 0.3653846 0.1217431 1.5412208), wk = 0.0024155 k( 327) = ( 0.3846154 0.1281506 1.5344669), wk = 0.0024155 k( 328) = ( 0.4038462 0.1345582 1.5277131), wk = 0.0024155 k( 329) = ( 0.4230769 0.1409657 1.5209592), wk = 0.0024155 k( 330) = ( 0.4423077 0.1473732 1.5142054), wk = 0.0024155 k( 331) = ( 0.4615385 0.1537808 1.5074515), wk = 0.0024155 k( 332) = ( 0.4807692 0.1601883 1.5006977), wk = 0.0024155 k( 333) = ( 0.5000000 0.1665958 1.4939439), wk = 0.0024155 k( 334) = ( 0.5000000 0.1665958 1.4939439), wk = 0.0024155 k( 335) = ( 0.5000000 0.1665958 1.4716462), wk = 0.0024155 k( 336) = ( 0.5000000 0.1665958 1.4493485), wk = 0.0024155 k( 337) = ( 0.5000000 0.1665958 1.4270508), wk = 0.0024155 k( 338) = ( 0.5000000 0.1665958 1.4047532), wk = 0.0024155 k( 339) = ( 0.5000000 0.1665958 1.3824555), wk = 0.0024155 k( 340) = ( 0.5000000 0.1665958 1.3601579), wk = 0.0024155 k( 341) = ( 0.5000000 0.1665958 1.3378602), wk = 0.0024155 k( 342) = ( 0.5000000 0.1665958 1.3155625), wk = 0.0024155 k( 343) = ( 0.5000000 0.1665958 1.2932648), wk = 0.0024155 k( 344) = ( 0.5000000 0.1665958 1.2709671), wk = 0.0024155 k( 345) = ( 0.5000000 0.1665958 1.2486695), wk = 0.0024155 k( 346) = ( 0.5000000 0.1665958 1.2263718), wk = 0.0024155 k( 347) = ( 0.5000000 0.1665958 1.2040742), wk = 0.0024155 k( 348) = ( 0.5000000 0.1665958 1.1817765), wk = 0.0024155 k( 349) = ( 0.5000000 0.1665958 1.1594788), wk = 0.0024155 k( 350) = ( 0.5000000 0.1665958 1.1371811), wk = 0.0024155 k( 351) = ( 0.5000000 0.1665958 1.1148835), wk = 0.0024155 k( 352) = ( 0.5000000 0.1665958 1.0925858), wk = 0.0024155 k( 353) = ( 0.5000000 0.1665958 1.0702881), wk = 0.0024155 k( 354) = ( 0.5000000 0.1665958 1.0479905), wk = 0.0024155 k( 355) = ( 0.5000000 0.1665958 1.0256928), wk = 0.0024155 k( 356) = ( 0.5000000 0.1665958 1.0033951), wk = 0.0024155 k( 357) = ( 0.5000000 0.1665958 0.9810975), wk = 0.0024155 k( 358) = ( 0.5000000 0.1665958 0.9587998), wk = 0.0024155 k( 359) = ( 0.5000000 0.1665958 0.9365021), wk = 0.0024155 k( 360) = ( 0.5000000 0.1665958 0.9142044), wk = 0.0024155 k( 361) = ( 0.5000000 0.1665958 0.8919068), wk = 0.0024155 k( 362) = ( 0.5000000 0.1665958 0.8696091), wk = 0.0024155 k( 363) = ( 0.5000000 0.1665958 0.8473115), wk = 0.0024155 k( 364) = ( 0.5000000 0.1665958 0.8250138), wk = 0.0024155 k( 365) = ( 0.5000000 0.1665958 0.8027161), wk = 0.0024155 k( 366) = ( 0.5000000 0.1665958 0.7804184), wk = 0.0024155 k( 367) = ( 0.5000000 0.1665958 0.7581208), wk = 0.0024155 k( 368) = ( 0.5000000 0.1665958 0.7358231), wk = 0.0024155 k( 369) = ( 0.5000000 0.1665958 0.7135254), wk = 0.0024155 k( 370) = ( 0.5000000 0.1665958 0.6912278), wk = 0.0024155 k( 371) = ( 0.5000000 0.1665958 0.6689301), wk = 0.0024155 k( 372) = ( 0.5000000 0.1665958 0.6466324), wk = 0.0024155 k( 373) = ( 0.5000000 0.1665958 0.6243347), wk = 0.0024155 k( 374) = ( 0.5000000 0.1665958 0.6020371), wk = 0.0024155 k( 375) = ( 0.5000000 0.1665958 0.5797394), wk = 0.0024155 k( 376) = ( 0.5000000 0.1665958 0.5574417), wk = 0.0024155 k( 377) = ( 0.5000000 0.1665958 0.5351441), wk = 0.0024155 k( 378) = ( 0.5000000 0.1665958 0.5128464), wk = 0.0024155 k( 379) = ( 0.5000000 0.1665958 0.4905487), wk = 0.0024155 k( 380) = ( 0.5000000 0.1665958 0.4682511), wk = 0.0024155 k( 381) = ( 0.5000000 0.1665958 0.4459534), wk = 0.0024155 k( 382) = ( 0.5000000 0.1665958 0.4236557), wk = 0.0024155 k( 383) = ( 0.5000000 0.1665958 0.4013580), wk = 0.0024155 k( 384) = ( 0.5000000 0.1665958 0.3790604), wk = 0.0024155 k( 385) = ( 0.5000000 0.1665958 0.3567627), wk = 0.0024155 k( 386) = ( 0.5000000 0.1665958 0.3344650), wk = 0.0024155 k( 387) = ( 0.5000000 0.1665958 0.3121674), wk = 0.0024155 k( 388) = ( 0.5000000 0.1665958 0.2898697), wk = 0.0024155 k( 389) = ( 0.5000000 0.1665958 0.2675720), wk = 0.0024155 k( 390) = ( 0.5000000 0.1665958 0.2452744), wk = 0.0024155 k( 391) = ( 0.5000000 0.1665958 0.2229767), wk = 0.0024155 k( 392) = ( 0.5000000 0.1665958 0.2006790), wk = 0.0024155 k( 393) = ( 0.5000000 0.1665958 0.1783814), wk = 0.0024155 k( 394) = ( 0.5000000 0.1665958 0.1560837), wk = 0.0024155 k( 395) = ( 0.5000000 0.1665958 0.1337860), wk = 0.0024155 k( 396) = ( 0.5000000 0.1665958 0.1114884), wk = 0.0024155 k( 397) = ( 0.5000000 0.1665958 0.0891907), wk = 0.0024155 k( 398) = ( 0.5000000 0.1665958 0.0668930), wk = 0.0024155 k( 399) = ( 0.5000000 0.1665958 0.0445953), wk = 0.0024155 k( 400) = ( 0.5000000 0.1665958 0.0222977), wk = 0.0024155 k( 401) = ( 0.5000000 0.1665958 0.0000000), wk = 0.0024155 k( 402) = ( 0.0000000 0.0000000 1.5817438), wk = 0.0024155 k( 403) = ( 0.0208333 0.0069415 1.5817438), wk = 0.0024155 k( 404) = ( 0.0416667 0.0138830 1.5817438), wk = 0.0024155 k( 405) = ( 0.0625000 0.0208245 1.5817438), wk = 0.0024155 k( 406) = ( 0.0833333 0.0277660 1.5817438), wk = 0.0024155 k( 407) = ( 0.1041667 0.0347075 1.5817438), wk = 0.0024155 k( 408) = ( 0.1250000 0.0416490 1.5817438), wk = 0.0024155 k( 409) = ( 0.1458333 0.0485905 1.5817438), wk = 0.0024155 k( 410) = ( 0.1666667 0.0555319 1.5817438), wk = 0.0024155 k( 411) = ( 0.1875000 0.0624734 1.5817438), wk = 0.0024155 k( 412) = ( 0.2083333 0.0694149 1.5817438), wk = 0.0024155 k( 413) = ( 0.2291667 0.0763564 1.5817438), wk = 0.0024155 k( 414) = ( 0.2500000 0.0832979 1.5817438), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0000000 0.0070422), wk = 0.0024155 k( 3) = ( 0.0000000 0.0000000 0.0140845), wk = 0.0024155 k( 4) = ( 0.0000000 0.0000000 0.0211268), wk = 0.0024155 k( 5) = ( 0.0000000 0.0000000 0.0281690), wk = 0.0024155 k( 6) = ( 0.0000000 0.0000000 0.0352113), wk = 0.0024155 k( 7) = ( 0.0000000 0.0000000 0.0422535), wk = 0.0024155 k( 8) = ( 0.0000000 0.0000000 0.0492958), wk = 0.0024155 k( 9) = ( 0.0000000 0.0000000 0.0563380), wk = 0.0024155 k( 10) = ( 0.0000000 0.0000000 0.0633803), wk = 0.0024155 k( 11) = ( 0.0000000 0.0000000 0.0704225), wk = 0.0024155 k( 12) = ( 0.0000000 0.0000000 0.0774648), wk = 0.0024155 k( 13) = ( 0.0000000 0.0000000 0.0845070), wk = 0.0024155 k( 14) = ( 0.0000000 0.0000000 0.0915493), wk = 0.0024155 k( 15) = ( 0.0000000 0.0000000 0.0985916), wk = 0.0024155 k( 16) = ( 0.0000000 0.0000000 0.1056338), wk = 0.0024155 k( 17) = ( 0.0000000 0.0000000 0.1126761), wk = 0.0024155 k( 18) = ( 0.0000000 0.0000000 0.1197183), wk = 0.0024155 k( 19) = ( 0.0000000 0.0000000 0.1267606), wk = 0.0024155 k( 20) = ( 0.0000000 0.0000000 0.1338028), wk = 0.0024155 k( 21) = ( 0.0000000 0.0000000 0.1408451), wk = 0.0024155 k( 22) = ( 0.0000000 0.0000000 0.1478873), wk = 0.0024155 k( 23) = ( 0.0000000 0.0000000 0.1549296), wk = 0.0024155 k( 24) = ( 0.0000000 0.0000000 0.1619718), wk = 0.0024155 k( 25) = ( 0.0000000 0.0000000 0.1690141), wk = 0.0024155 k( 26) = ( 0.0000000 0.0000000 0.1760563), wk = 0.0024155 k( 27) = ( 0.0000000 0.0000000 0.1830986), wk = 0.0024155 k( 28) = ( 0.0000000 0.0000000 0.1901409), wk = 0.0024155 k( 29) = ( 0.0000000 0.0000000 0.1971831), wk = 0.0024155 k( 30) = ( 0.0000000 0.0000000 0.2042253), wk = 0.0024155 k( 31) = ( 0.0000000 0.0000000 0.2112676), wk = 0.0024155 k( 32) = ( 0.0000000 0.0000000 0.2183099), wk = 0.0024155 k( 33) = ( 0.0000000 0.0000000 0.2253521), wk = 0.0024155 k( 34) = ( 0.0000000 0.0000000 0.2323944), wk = 0.0024155 k( 35) = ( 0.0000000 0.0000000 0.2394366), wk = 0.0024155 k( 36) = ( 0.0000000 0.0000000 0.2464789), wk = 0.0024155 k( 37) = ( 0.0000000 0.0000000 0.2535211), wk = 0.0024155 k( 38) = ( 0.0000000 0.0000000 0.2605634), wk = 0.0024155 k( 39) = ( 0.0000000 0.0000000 0.2676056), wk = 0.0024155 k( 40) = ( 0.0000000 0.0000000 0.2746479), wk = 0.0024155 k( 41) = ( 0.0000000 0.0000000 0.2816901), wk = 0.0024155 k( 42) = ( 0.0000000 0.0000000 0.2887324), wk = 0.0024155 k( 43) = ( 0.0000000 0.0000000 0.2957746), wk = 0.0024155 k( 44) = ( 0.0000000 0.0000000 0.3028169), wk = 0.0024155 k( 45) = ( 0.0000000 0.0000000 0.3098592), wk = 0.0024155 k( 46) = ( 0.0000000 0.0000000 0.3169014), wk = 0.0024155 k( 47) = ( 0.0000000 0.0000000 0.3239437), wk = 0.0024155 k( 48) = ( 0.0000000 0.0000000 0.3309859), wk = 0.0024155 k( 49) = ( 0.0000000 0.0000000 0.3380282), wk = 0.0024155 k( 50) = ( 0.0000000 0.0000000 0.3450704), wk = 0.0024155 k( 51) = ( 0.0000000 0.0000000 0.3521127), wk = 0.0024155 k( 52) = ( 0.0000000 0.0000000 0.3591549), wk = 0.0024155 k( 53) = ( 0.0000000 0.0000000 0.3661972), wk = 0.0024155 k( 54) = ( 0.0000000 0.0000000 0.3732394), wk = 0.0024155 k( 55) = ( 0.0000000 0.0000000 0.3802817), wk = 0.0024155 k( 56) = ( 0.0000000 0.0000000 0.3873239), wk = 0.0024155 k( 57) = ( 0.0000000 0.0000000 0.3943662), wk = 0.0024155 k( 58) = ( 0.0000000 0.0000000 0.4014084), wk = 0.0024155 k( 59) = ( 0.0000000 0.0000000 0.4084507), wk = 0.0024155 k( 60) = ( 0.0000000 0.0000000 0.4154930), wk = 0.0024155 k( 61) = ( 0.0000000 0.0000000 0.4225352), wk = 0.0024155 k( 62) = ( 0.0000000 0.0000000 0.4295775), wk = 0.0024155 k( 63) = ( 0.0000000 0.0000000 0.4366197), wk = 0.0024155 k( 64) = ( 0.0000000 0.0000000 0.4436620), wk = 0.0024155 k( 65) = ( 0.0000000 0.0000000 0.4507042), wk = 0.0024155 k( 66) = ( 0.0000000 0.0000000 0.4577465), wk = 0.0024155 k( 67) = ( 0.0000000 0.0000000 0.4647887), wk = 0.0024155 k( 68) = ( 0.0000000 0.0000000 0.4718310), wk = 0.0024155 k( 69) = ( 0.0000000 0.0000000 0.4788732), wk = 0.0024155 k( 70) = ( 0.0000000 0.0000000 0.4859155), wk = 0.0024155 k( 71) = ( 0.0000000 0.0000000 0.4929577), wk = 0.0024155 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 74) = ( -0.0069385 0.0069385 0.5000000), wk = 0.0024155 k( 75) = ( -0.0138771 0.0138771 0.5000000), wk = 0.0024155 k( 76) = ( -0.0208156 0.0208156 0.5000000), wk = 0.0024155 k( 77) = ( -0.0277542 0.0277542 0.5000000), wk = 0.0024155 k( 78) = ( -0.0277542 0.0277542 0.5000000), wk = 0.0024155 k( 79) = ( -0.0326734 0.0326734 0.4950808), wk = 0.0024155 k( 80) = ( -0.0375926 0.0375926 0.4901616), wk = 0.0024155 k( 81) = ( -0.0425119 0.0425119 0.4852423), wk = 0.0024155 k( 82) = ( -0.0474311 0.0474311 0.4803231), wk = 0.0024155 k( 83) = ( -0.0523503 0.0523503 0.4754039), wk = 0.0024155 k( 84) = ( -0.0572695 0.0572695 0.4704846), wk = 0.0024155 k( 85) = ( -0.0621888 0.0621888 0.4655654), wk = 0.0024155 k( 86) = ( -0.0671080 0.0671080 0.4606462), wk = 0.0024155 k( 87) = ( -0.0720272 0.0720272 0.4557269), wk = 0.0024155 k( 88) = ( -0.0769464 0.0769465 0.4508077), wk = 0.0024155 k( 89) = ( -0.0818657 0.0818657 0.4458885), wk = 0.0024155 k( 90) = ( -0.0867849 0.0867849 0.4409693), wk = 0.0024155 k( 91) = ( -0.0917041 0.0917041 0.4360500), wk = 0.0024155 k( 92) = ( -0.0966234 0.0966234 0.4311308), wk = 0.0024155 k( 93) = ( -0.1015426 0.1015426 0.4262116), wk = 0.0024155 k( 94) = ( -0.1064618 0.1064618 0.4212924), wk = 0.0024155 k( 95) = ( -0.1113810 0.1113810 0.4163731), wk = 0.0024155 k( 96) = ( -0.1163003 0.1163003 0.4114539), wk = 0.0024155 k( 97) = ( -0.1212195 0.1212195 0.4065347), wk = 0.0024155 k( 98) = ( -0.1261387 0.1261387 0.4016154), wk = 0.0024155 k( 99) = ( -0.1310580 0.1310580 0.3966962), wk = 0.0024155 k( 100) = ( -0.1359772 0.1359772 0.3917770), wk = 0.0024155 k( 101) = ( -0.1408964 0.1408964 0.3868578), wk = 0.0024155 k( 102) = ( -0.1458156 0.1458156 0.3819385), wk = 0.0024155 k( 103) = ( -0.1507349 0.1507349 0.3770193), wk = 0.0024155 k( 104) = ( -0.1556541 0.1556541 0.3721001), wk = 0.0024155 k( 105) = ( -0.1605733 0.1605733 0.3671809), wk = 0.0024155 k( 106) = ( -0.1654925 0.1654925 0.3622616), wk = 0.0024155 k( 107) = ( -0.1704118 0.1704118 0.3573424), wk = 0.0024155 k( 108) = ( -0.1753310 0.1753310 0.3524232), wk = 0.0024155 k( 109) = ( -0.1802502 0.1802502 0.3475040), wk = 0.0024155 k( 110) = ( -0.1851695 0.1851695 0.3425847), wk = 0.0024155 k( 111) = ( -0.1900887 0.1900887 0.3376655), wk = 0.0024155 k( 112) = ( -0.1950079 0.1950079 0.3327463), wk = 0.0024155 k( 113) = ( -0.1999271 0.1999271 0.3278270), wk = 0.0024155 k( 114) = ( -0.2048464 0.2048464 0.3229078), wk = 0.0024155 k( 115) = ( -0.2097656 0.2097656 0.3179886), wk = 0.0024155 k( 116) = ( -0.2146848 0.2146848 0.3130694), wk = 0.0024155 k( 117) = ( -0.2196040 0.2196040 0.3081501), wk = 0.0024155 k( 118) = ( -0.2245233 0.2245233 0.3032309), wk = 0.0024155 k( 119) = ( -0.2294425 0.2294425 0.2983117), wk = 0.0024155 k( 120) = ( -0.2343617 0.2343617 0.2933925), wk = 0.0024155 k( 121) = ( -0.2392809 0.2392810 0.2884732), wk = 0.0024155 k( 122) = ( -0.2442002 0.2442002 0.2835540), wk = 0.0024155 k( 123) = ( -0.2491194 0.2491194 0.2786348), wk = 0.0024155 k( 124) = ( -0.2540386 0.2540386 0.2737155), wk = 0.0024155 k( 125) = ( -0.2589579 0.2589579 0.2687963), wk = 0.0024155 k( 126) = ( -0.2638771 0.2638771 0.2638771), wk = 0.0024155 k( 127) = ( -0.2638771 0.2638771 0.2638771), wk = 0.0024155 k( 128) = ( -0.2588983 0.2588983 0.2588983), wk = 0.0024155 k( 129) = ( -0.2539195 0.2539195 0.2539195), wk = 0.0024155 k( 130) = ( -0.2489407 0.2489407 0.2489406), wk = 0.0024155 k( 131) = ( -0.2439618 0.2439618 0.2439618), wk = 0.0024155 k( 132) = ( -0.2389830 0.2389830 0.2389830), wk = 0.0024155 k( 133) = ( -0.2340042 0.2340042 0.2340042), wk = 0.0024155 k( 134) = ( -0.2290254 0.2290254 0.2290254), wk = 0.0024155 k( 135) = ( -0.2240466 0.2240466 0.2240466), wk = 0.0024155 k( 136) = ( -0.2190678 0.2190678 0.2190678), wk = 0.0024155 k( 137) = ( -0.2140890 0.2140890 0.2140890), wk = 0.0024155 k( 138) = ( -0.2091101 0.2091101 0.2091101), wk = 0.0024155 k( 139) = ( -0.2041313 0.2041313 0.2041313), wk = 0.0024155 k( 140) = ( -0.1991525 0.1991525 0.1991525), wk = 0.0024155 k( 141) = ( -0.1941737 0.1941737 0.1941737), wk = 0.0024155 k( 142) = ( -0.1891949 0.1891949 0.1891949), wk = 0.0024155 k( 143) = ( -0.1842161 0.1842161 0.1842161), wk = 0.0024155 k( 144) = ( -0.1792373 0.1792373 0.1792373), wk = 0.0024155 k( 145) = ( -0.1742585 0.1742585 0.1742584), wk = 0.0024155 k( 146) = ( -0.1692796 0.1692796 0.1692796), wk = 0.0024155 k( 147) = ( -0.1643008 0.1643008 0.1643008), wk = 0.0024155 k( 148) = ( -0.1593220 0.1593220 0.1593220), wk = 0.0024155 k( 149) = ( -0.1543432 0.1543432 0.1543432), wk = 0.0024155 k( 150) = ( -0.1493644 0.1493644 0.1493644), wk = 0.0024155 k( 151) = ( -0.1443856 0.1443856 0.1443856), wk = 0.0024155 k( 152) = ( -0.1394068 0.1394068 0.1394068), wk = 0.0024155 k( 153) = ( -0.1344279 0.1344280 0.1344279), wk = 0.0024155 k( 154) = ( -0.1294491 0.1294491 0.1294491), wk = 0.0024155 k( 155) = ( -0.1244703 0.1244703 0.1244703), wk = 0.0024155 k( 156) = ( -0.1194915 0.1194915 0.1194915), wk = 0.0024155 k( 157) = ( -0.1145127 0.1145127 0.1145127), wk = 0.0024155 k( 158) = ( -0.1095339 0.1095339 0.1095339), wk = 0.0024155 k( 159) = ( -0.1045551 0.1045551 0.1045551), wk = 0.0024155 k( 160) = ( -0.0995763 0.0995763 0.0995763), wk = 0.0024155 k( 161) = ( -0.0945974 0.0945975 0.0945974), wk = 0.0024155 k( 162) = ( -0.0896186 0.0896186 0.0896186), wk = 0.0024155 k( 163) = ( -0.0846398 0.0846398 0.0846398), wk = 0.0024155 k( 164) = ( -0.0796610 0.0796610 0.0796610), wk = 0.0024155 k( 165) = ( -0.0746822 0.0746822 0.0746822), wk = 0.0024155 k( 166) = ( -0.0697034 0.0697034 0.0697034), wk = 0.0024155 k( 167) = ( -0.0647246 0.0647246 0.0647246), wk = 0.0024155 k( 168) = ( -0.0597458 0.0597458 0.0597458), wk = 0.0024155 k( 169) = ( -0.0547669 0.0547669 0.0547669), wk = 0.0024155 k( 170) = ( -0.0497881 0.0497881 0.0497881), wk = 0.0024155 k( 171) = ( -0.0448093 0.0448093 0.0448093), wk = 0.0024155 k( 172) = ( -0.0398305 0.0398305 0.0398305), wk = 0.0024155 k( 173) = ( -0.0348517 0.0348517 0.0348517), wk = 0.0024155 k( 174) = ( -0.0298729 0.0298729 0.0298729), wk = 0.0024155 k( 175) = ( -0.0248941 0.0248941 0.0248941), wk = 0.0024155 k( 176) = ( -0.0199152 0.0199153 0.0199152), wk = 0.0024155 k( 177) = ( -0.0149364 0.0149364 0.0149364), wk = 0.0024155 k( 178) = ( -0.0099576 0.0099576 0.0099576), wk = 0.0024155 k( 179) = ( -0.0049788 0.0049788 0.0049788), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 182) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0024155 k( 183) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0024155 k( 184) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0024155 k( 185) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0024155 k( 186) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0024155 k( 187) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024155 k( 188) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0024155 k( 189) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0024155 k( 190) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0024155 k( 191) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0024155 k( 192) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0024155 k( 193) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024155 k( 194) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0024155 k( 195) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0024155 k( 196) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0024155 k( 197) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0024155 k( 198) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0024155 k( 199) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024155 k( 200) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0024155 k( 201) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0024155 k( 202) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0024155 k( 203) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0024155 k( 204) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0024155 k( 205) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024155 k( 206) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024155 k( 207) = ( 0.4950808 0.5049192 -0.4950808), wk = 0.0024155 k( 208) = ( 0.4901616 0.5098385 -0.4901615), wk = 0.0024155 k( 209) = ( 0.4852423 0.5147577 -0.4852423), wk = 0.0024155 k( 210) = ( 0.4803231 0.5196769 -0.4803231), wk = 0.0024155 k( 211) = ( 0.4754039 0.5245961 -0.4754039), wk = 0.0024155 k( 212) = ( 0.4704846 0.5295154 -0.4704846), wk = 0.0024155 k( 213) = ( 0.4655654 0.5344346 -0.4655654), wk = 0.0024155 k( 214) = ( 0.4606462 0.5393538 -0.4606462), wk = 0.0024155 k( 215) = ( 0.4557270 0.5442731 -0.4557270), wk = 0.0024155 k( 216) = ( 0.4508077 0.5491923 -0.4508077), wk = 0.0024155 k( 217) = ( 0.4458885 0.5541115 -0.4458885), wk = 0.0024155 k( 218) = ( 0.4409693 0.5590307 -0.4409693), wk = 0.0024155 k( 219) = ( 0.4360500 0.5639500 -0.4360500), wk = 0.0024155 k( 220) = ( 0.4311308 0.5688692 -0.4311308), wk = 0.0024155 k( 221) = ( 0.4262116 0.5737884 -0.4262116), wk = 0.0024155 k( 222) = ( 0.4212924 0.5787076 -0.4212924), wk = 0.0024155 k( 223) = ( 0.4163731 0.5836269 -0.4163731), wk = 0.0024155 k( 224) = ( 0.4114539 0.5885461 -0.4114539), wk = 0.0024155 k( 225) = ( 0.4065347 0.5934653 -0.4065347), wk = 0.0024155 k( 226) = ( 0.4016154 0.5983846 -0.4016154), wk = 0.0024155 k( 227) = ( 0.3966962 0.6033038 -0.3966962), wk = 0.0024155 k( 228) = ( 0.3917770 0.6082230 -0.3917770), wk = 0.0024155 k( 229) = ( 0.3868578 0.6131422 -0.3868578), wk = 0.0024155 k( 230) = ( 0.3819385 0.6180615 -0.3819385), wk = 0.0024155 k( 231) = ( 0.3770193 0.6229807 -0.3770193), wk = 0.0024155 k( 232) = ( 0.3721001 0.6278999 -0.3721001), wk = 0.0024155 k( 233) = ( 0.3671809 0.6328191 -0.3671809), wk = 0.0024155 k( 234) = ( 0.3622616 0.6377384 -0.3622616), wk = 0.0024155 k( 235) = ( 0.3573424 0.6426576 -0.3573424), wk = 0.0024155 k( 236) = ( 0.3524232 0.6475768 -0.3524232), wk = 0.0024155 k( 237) = ( 0.3475040 0.6524960 -0.3475040), wk = 0.0024155 k( 238) = ( 0.3425847 0.6574153 -0.3425847), wk = 0.0024155 k( 239) = ( 0.3376655 0.6623345 -0.3376655), wk = 0.0024155 k( 240) = ( 0.3327463 0.6672537 -0.3327463), wk = 0.0024155 k( 241) = ( 0.3278270 0.6721730 -0.3278270), wk = 0.0024155 k( 242) = ( 0.3229078 0.6770922 -0.3229078), wk = 0.0024155 k( 243) = ( 0.3179886 0.6820114 -0.3179886), wk = 0.0024155 k( 244) = ( 0.3130694 0.6869306 -0.3130694), wk = 0.0024155 k( 245) = ( 0.3081501 0.6918499 -0.3081501), wk = 0.0024155 k( 246) = ( 0.3032309 0.6967691 -0.3032309), wk = 0.0024155 k( 247) = ( 0.2983117 0.7016883 -0.2983117), wk = 0.0024155 k( 248) = ( 0.2933925 0.7066075 -0.2933925), wk = 0.0024155 k( 249) = ( 0.2884732 0.7115268 -0.2884732), wk = 0.0024155 k( 250) = ( 0.2835540 0.7164460 -0.2835540), wk = 0.0024155 k( 251) = ( 0.2786348 0.7213652 -0.2786348), wk = 0.0024155 k( 252) = ( 0.2737155 0.7262845 -0.2737155), wk = 0.0024155 k( 253) = ( 0.2687963 0.7312037 -0.2687963), wk = 0.0024155 k( 254) = ( 0.2638771 0.7361229 -0.2638771), wk = 0.0024155 k( 255) = ( 0.2638771 0.7361229 -0.2638771), wk = 0.0024155 k( 256) = ( 0.2435789 0.7179596 -0.2435789), wk = 0.0024155 k( 257) = ( 0.2232806 0.6997963 -0.2232806), wk = 0.0024155 k( 258) = ( 0.2029824 0.6816330 -0.2029824), wk = 0.0024155 k( 259) = ( 0.1826841 0.6634697 -0.1826841), wk = 0.0024155 k( 260) = ( 0.1623859 0.6453064 -0.1623859), wk = 0.0024155 k( 261) = ( 0.1420877 0.6271431 -0.1420877), wk = 0.0024155 k( 262) = ( 0.1217894 0.6089798 -0.1217894), wk = 0.0024155 k( 263) = ( 0.1014912 0.5908165 -0.1014912), wk = 0.0024155 k( 264) = ( 0.0811929 0.5726532 -0.0811930), wk = 0.0024155 k( 265) = ( 0.0608947 0.5544899 -0.0608947), wk = 0.0024155 k( 266) = ( 0.0405965 0.5363266 -0.0405965), wk = 0.0024155 k( 267) = ( 0.0202982 0.5181633 -0.0202982), wk = 0.0024155 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 269) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 270) = ( 0.0050000 0.4950000 0.0050000), wk = 0.0024155 k( 271) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0024155 k( 272) = ( 0.0150000 0.4850000 0.0150000), wk = 0.0024155 k( 273) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0024155 k( 274) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0024155 k( 275) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0024155 k( 276) = ( 0.0350000 0.4650000 0.0350000), wk = 0.0024155 k( 277) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0024155 k( 278) = ( 0.0450000 0.4550000 0.0450000), wk = 0.0024155 k( 279) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0024155 k( 280) = ( 0.0550000 0.4450000 0.0550000), wk = 0.0024155 k( 281) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0024155 k( 282) = ( 0.0650000 0.4350000 0.0650000), wk = 0.0024155 k( 283) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0024155 k( 284) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0024155 k( 285) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0024155 k( 286) = ( 0.0850000 0.4150000 0.0850000), wk = 0.0024155 k( 287) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0024155 k( 288) = ( 0.0950000 0.4050000 0.0950000), wk = 0.0024155 k( 289) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0024155 k( 290) = ( 0.1050000 0.3950000 0.1050000), wk = 0.0024155 k( 291) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0024155 k( 292) = ( 0.1150000 0.3850000 0.1150000), wk = 0.0024155 k( 293) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0024155 k( 294) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024155 k( 295) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0024155 k( 296) = ( 0.1350000 0.3650000 0.1350000), wk = 0.0024155 k( 297) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0024155 k( 298) = ( 0.1450000 0.3550000 0.1450000), wk = 0.0024155 k( 299) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0024155 k( 300) = ( 0.1550000 0.3450000 0.1550000), wk = 0.0024155 k( 301) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0024155 k( 302) = ( 0.1650000 0.3350000 0.1650000), wk = 0.0024155 k( 303) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0024155 k( 304) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0024155 k( 305) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0024155 k( 306) = ( 0.1850000 0.3150000 0.1850000), wk = 0.0024155 k( 307) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0024155 k( 308) = ( 0.1950000 0.3050000 0.1950000), wk = 0.0024155 k( 309) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0024155 k( 310) = ( 0.2050000 0.2950000 0.2050000), wk = 0.0024155 k( 311) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0024155 k( 312) = ( 0.2150000 0.2850000 0.2150000), wk = 0.0024155 k( 313) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0024155 k( 314) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0024155 k( 315) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0024155 k( 316) = ( 0.2350000 0.2650000 0.2350000), wk = 0.0024155 k( 317) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0024155 k( 318) = ( 0.2450000 0.2550000 0.2450000), wk = 0.0024155 k( 319) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024155 k( 320) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024155 k( 321) = ( 0.2692308 0.2692308 0.2286343), wk = 0.0024155 k( 322) = ( 0.2884615 0.2884615 0.2072686), wk = 0.0024155 k( 323) = ( 0.3076923 0.3076923 0.1859029), wk = 0.0024155 k( 324) = ( 0.3269231 0.3269231 0.1645372), wk = 0.0024155 k( 325) = ( 0.3461538 0.3461538 0.1431715), wk = 0.0024155 k( 326) = ( 0.3653846 0.3653846 0.1218058), wk = 0.0024155 k( 327) = ( 0.3846154 0.3846154 0.1004401), wk = 0.0024155 k( 328) = ( 0.4038462 0.4038462 0.0790744), wk = 0.0024155 k( 329) = ( 0.4230769 0.4230769 0.0577087), wk = 0.0024155 k( 330) = ( 0.4423077 0.4423077 0.0363429), wk = 0.0024155 k( 331) = ( 0.4615385 0.4615385 0.0149772), wk = 0.0024155 k( 332) = ( 0.4807692 0.4807692 -0.0063885), wk = 0.0024155 k( 333) = ( 0.5000000 0.5000000 -0.0277542), wk = 0.0024155 k( 334) = ( 0.5000000 0.5000000 -0.0277542), wk = 0.0024155 k( 335) = ( 0.5000000 0.5000000 -0.0348026), wk = 0.0024155 k( 336) = ( 0.5000000 0.5000000 -0.0418511), wk = 0.0024155 k( 337) = ( 0.5000000 0.5000000 -0.0488995), wk = 0.0024155 k( 338) = ( 0.5000000 0.5000000 -0.0559479), wk = 0.0024155 k( 339) = ( 0.5000000 0.5000000 -0.0629964), wk = 0.0024155 k( 340) = ( 0.5000000 0.5000000 -0.0700448), wk = 0.0024155 k( 341) = ( 0.5000000 0.5000000 -0.0770933), wk = 0.0024155 k( 342) = ( 0.5000000 0.5000000 -0.0841417), wk = 0.0024155 k( 343) = ( 0.5000000 0.5000000 -0.0911902), wk = 0.0024155 k( 344) = ( 0.5000000 0.5000000 -0.0982386), wk = 0.0024155 k( 345) = ( 0.5000000 0.5000000 -0.1052871), wk = 0.0024155 k( 346) = ( 0.5000000 0.5000000 -0.1123355), wk = 0.0024155 k( 347) = ( 0.5000000 0.5000000 -0.1193840), wk = 0.0024155 k( 348) = ( 0.5000000 0.5000000 -0.1264324), wk = 0.0024155 k( 349) = ( 0.5000000 0.5000000 -0.1334808), wk = 0.0024155 k( 350) = ( 0.5000000 0.5000000 -0.1405293), wk = 0.0024155 k( 351) = ( 0.5000000 0.5000000 -0.1475777), wk = 0.0024155 k( 352) = ( 0.5000000 0.5000000 -0.1546262), wk = 0.0024155 k( 353) = ( 0.5000000 0.5000000 -0.1616746), wk = 0.0024155 k( 354) = ( 0.5000000 0.5000000 -0.1687231), wk = 0.0024155 k( 355) = ( 0.5000000 0.5000000 -0.1757715), wk = 0.0024155 k( 356) = ( 0.5000000 0.5000000 -0.1828200), wk = 0.0024155 k( 357) = ( 0.5000000 0.5000000 -0.1898684), wk = 0.0024155 k( 358) = ( 0.5000000 0.5000000 -0.1969169), wk = 0.0024155 k( 359) = ( 0.5000000 0.5000000 -0.2039653), wk = 0.0024155 k( 360) = ( 0.5000000 0.5000000 -0.2110137), wk = 0.0024155 k( 361) = ( 0.5000000 0.5000000 -0.2180622), wk = 0.0024155 k( 362) = ( 0.5000000 0.5000000 -0.2251106), wk = 0.0024155 k( 363) = ( 0.5000000 0.5000000 -0.2321591), wk = 0.0024155 k( 364) = ( 0.5000000 0.5000000 -0.2392075), wk = 0.0024155 k( 365) = ( 0.5000000 0.5000000 -0.2462560), wk = 0.0024155 k( 366) = ( 0.5000000 0.5000000 -0.2533044), wk = 0.0024155 k( 367) = ( 0.5000000 0.5000000 -0.2603529), wk = 0.0024155 k( 368) = ( 0.5000000 0.5000000 -0.2674013), wk = 0.0024155 k( 369) = ( 0.5000000 0.5000000 -0.2744497), wk = 0.0024155 k( 370) = ( 0.5000000 0.5000000 -0.2814982), wk = 0.0024155 k( 371) = ( 0.5000000 0.5000000 -0.2885466), wk = 0.0024155 k( 372) = ( 0.5000000 0.5000000 -0.2955951), wk = 0.0024155 k( 373) = ( 0.5000000 0.5000000 -0.3026435), wk = 0.0024155 k( 374) = ( 0.5000000 0.5000000 -0.3096920), wk = 0.0024155 k( 375) = ( 0.5000000 0.5000000 -0.3167404), wk = 0.0024155 k( 376) = ( 0.5000000 0.5000000 -0.3237889), wk = 0.0024155 k( 377) = ( 0.5000000 0.5000000 -0.3308373), wk = 0.0024155 k( 378) = ( 0.5000000 0.5000000 -0.3378858), wk = 0.0024155 k( 379) = ( 0.5000000 0.5000000 -0.3449342), wk = 0.0024155 k( 380) = ( 0.5000000 0.5000000 -0.3519826), wk = 0.0024155 k( 381) = ( 0.5000000 0.5000000 -0.3590311), wk = 0.0024155 k( 382) = ( 0.5000000 0.5000000 -0.3660795), wk = 0.0024155 k( 383) = ( 0.5000000 0.5000000 -0.3731280), wk = 0.0024155 k( 384) = ( 0.5000000 0.5000000 -0.3801764), wk = 0.0024155 k( 385) = ( 0.5000000 0.5000000 -0.3872249), wk = 0.0024155 k( 386) = ( 0.5000000 0.5000000 -0.3942733), wk = 0.0024155 k( 387) = ( 0.5000000 0.5000000 -0.4013218), wk = 0.0024155 k( 388) = ( 0.5000000 0.5000000 -0.4083702), wk = 0.0024155 k( 389) = ( 0.5000000 0.5000000 -0.4154187), wk = 0.0024155 k( 390) = ( 0.5000000 0.5000000 -0.4224671), wk = 0.0024155 k( 391) = ( 0.5000000 0.5000000 -0.4295155), wk = 0.0024155 k( 392) = ( 0.5000000 0.5000000 -0.4365640), wk = 0.0024155 k( 393) = ( 0.5000000 0.5000000 -0.4436124), wk = 0.0024155 k( 394) = ( 0.5000000 0.5000000 -0.4506609), wk = 0.0024155 k( 395) = ( 0.5000000 0.5000000 -0.4577093), wk = 0.0024155 k( 396) = ( 0.5000000 0.5000000 -0.4647578), wk = 0.0024155 k( 397) = ( 0.5000000 0.5000000 -0.4718062), wk = 0.0024155 k( 398) = ( 0.5000000 0.5000000 -0.4788547), wk = 0.0024155 k( 399) = ( 0.5000000 0.5000000 -0.4859031), wk = 0.0024155 k( 400) = ( 0.5000000 0.5000000 -0.4929515), wk = 0.0024155 k( 401) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024155 k( 402) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 403) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0024155 k( 404) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0024155 k( 405) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0024155 k( 406) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0024155 k( 407) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0024155 k( 408) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024155 k( 409) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0024155 k( 410) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0024155 k( 411) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0024155 k( 412) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0024155 k( 413) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0024155 k( 414) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024155 Dense grid: 122193 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 21349 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 164, 28) NL pseudopotentials 0.08 Mb ( 82, 66) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 3394) G-vector shells 0.01 Mb ( 1539) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 164, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 66, 2, 28) The potential is recalculated from file : ./Zr2Cd.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 11.0 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.9 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.0 secs Computing kpt #: 24 total cpu time spent up to now is 15.5 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.0 secs Computing kpt #: 28 total cpu time spent up to now is 17.5 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 18.9 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.2 secs Computing kpt #: 35 total cpu time spent up to now is 21.2 secs Computing kpt #: 36 total cpu time spent up to now is 21.6 secs Computing kpt #: 37 total cpu time spent up to now is 22.1 secs Computing kpt #: 38 total cpu time spent up to now is 22.6 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.8 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.8 secs Computing kpt #: 50 total cpu time spent up to now is 28.3 secs Computing kpt #: 51 total cpu time spent up to now is 28.9 secs Computing kpt #: 52 total cpu time spent up to now is 29.4 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 31.0 secs Computing kpt #: 55 total cpu time spent up to now is 32.1 secs Computing kpt #: 56 total cpu time spent up to now is 33.0 secs Computing kpt #: 57 total cpu time spent up to now is 33.6 secs Computing kpt #: 58 total cpu time spent up to now is 34.1 secs Computing kpt #: 59 total cpu time spent up to now is 34.6 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.4 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.3 secs Computing kpt #: 64 total cpu time spent up to now is 36.7 secs Computing kpt #: 65 total cpu time spent up to now is 37.1 secs Computing kpt #: 66 total cpu time spent up to now is 37.5 secs Computing kpt #: 67 total cpu time spent up to now is 37.8 secs Computing kpt #: 68 total cpu time spent up to now is 38.2 secs Computing kpt #: 69 total cpu time spent up to now is 38.6 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.4 secs Computing kpt #: 72 total cpu time spent up to now is 39.8 secs Computing kpt #: 73 total cpu time spent up to now is 40.2 secs Computing kpt #: 74 total cpu time spent up to now is 40.6 secs Computing kpt #: 75 total cpu time spent up to now is 40.9 secs Computing kpt #: 76 total cpu time spent up to now is 41.3 secs Computing kpt #: 77 total cpu time spent up to now is 41.7 secs Computing kpt #: 78 total cpu time spent up to now is 42.1 secs Computing kpt #: 79 total cpu time spent up to now is 42.5 secs Computing kpt #: 80 total cpu time spent up to now is 42.9 secs Computing kpt #: 81 total cpu time spent up to now is 43.3 secs Computing kpt #: 82 total cpu time spent up to now is 43.7 secs Computing kpt #: 83 total cpu time spent up to now is 44.2 secs Computing kpt #: 84 total cpu time spent up to now is 44.6 secs Computing kpt #: 85 total cpu time spent up to now is 45.1 secs Computing kpt #: 86 total cpu time spent up to now is 45.5 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.4 secs Computing kpt #: 89 total cpu time spent up to now is 46.9 secs Computing kpt #: 90 total cpu time spent up to now is 47.3 secs Computing kpt #: 91 total cpu time spent up to now is 47.8 secs Computing kpt #: 92 total cpu time spent up to now is 48.2 secs Computing kpt #: 93 total cpu time spent up to now is 48.6 secs Computing kpt #: 94 total cpu time spent up to now is 49.0 secs Computing kpt #: 95 total cpu time spent up to now is 49.5 secs Computing kpt #: 96 total cpu time spent up to now is 49.9 secs Computing kpt #: 97 total cpu time spent up to now is 50.3 secs Computing kpt #: 98 total cpu time spent up to now is 50.7 secs Computing kpt #: 99 total cpu time spent up to now is 51.1 secs Computing kpt #: 100 total cpu time spent up to now is 51.5 secs Computing kpt #: 101 total cpu time spent up to now is 51.9 secs Computing kpt #: 102 total cpu time spent up to now is 52.4 secs Computing kpt #: 103 total cpu time spent up to now is 52.8 secs Computing kpt #: 104 total cpu time spent up to now is 53.2 secs Computing kpt #: 105 total cpu time spent up to now is 53.6 secs Computing kpt #: 106 total cpu time spent up to now is 54.0 secs Computing kpt #: 107 total cpu time spent up to now is 54.4 secs Computing kpt #: 108 total cpu time spent up to now is 54.8 secs Computing kpt #: 109 total cpu time spent up to now is 55.2 secs Computing kpt #: 110 total cpu time spent up to now is 55.6 secs Computing kpt #: 111 total cpu time spent up to now is 56.0 secs Computing kpt #: 112 total cpu time spent up to now is 56.4 secs Computing kpt #: 113 total cpu time spent up to now is 56.9 secs Computing kpt #: 114 total cpu time spent up to now is 57.3 secs Computing kpt #: 115 total cpu time spent up to now is 57.7 secs Computing kpt #: 116 total cpu time spent up to now is 58.1 secs Computing kpt #: 117 total cpu time spent up to now is 58.6 secs Computing kpt #: 118 total cpu time spent up to now is 59.0 secs Computing kpt #: 119 total cpu time spent up to now is 59.4 secs Computing kpt #: 120 total cpu time spent up to now is 59.8 secs Computing kpt #: 121 total cpu time spent up to now is 60.2 secs Computing kpt #: 122 total cpu time spent up to now is 60.6 secs Computing kpt #: 123 total cpu time spent up to now is 61.0 secs Computing kpt #: 124 total cpu time spent up to now is 61.4 secs Computing kpt #: 125 total cpu time spent up to now is 61.8 secs Computing kpt #: 126 total cpu time spent up to now is 62.2 secs Computing kpt #: 127 total cpu time spent up to now is 62.6 secs Computing kpt #: 128 total cpu time spent up to now is 63.0 secs Computing kpt #: 129 total cpu time spent up to now is 63.4 secs Computing kpt #: 130 total cpu time spent up to now is 63.8 secs Computing kpt #: 131 total cpu time spent up to now is 64.2 secs Computing kpt #: 132 total cpu time spent up to now is 64.6 secs Computing kpt #: 133 total cpu time spent up to now is 65.0 secs Computing kpt #: 134 total cpu time spent up to now is 65.3 secs Computing kpt #: 135 total cpu time spent up to now is 65.7 secs Computing kpt #: 136 total cpu time spent up to now is 66.1 secs Computing kpt #: 137 total cpu time spent up to now is 66.5 secs Computing kpt #: 138 total cpu time spent up to now is 66.9 secs Computing kpt #: 139 total cpu time spent up to now is 67.2 secs Computing kpt #: 140 total cpu time spent up to now is 67.6 secs Computing kpt #: 141 total cpu time spent up to now is 68.0 secs Computing kpt #: 142 total cpu time spent up to now is 68.4 secs Computing kpt #: 143 total cpu time spent up to now is 68.8 secs Computing kpt #: 144 total cpu time spent up to now is 69.2 secs Computing kpt #: 145 total cpu time spent up to now is 69.6 secs Computing kpt #: 146 total cpu time spent up to now is 69.9 secs Computing kpt #: 147 total cpu time spent up to now is 70.3 secs Computing kpt #: 148 total cpu time spent up to now is 70.8 secs Computing kpt #: 149 total cpu time spent up to now is 71.1 secs Computing kpt #: 150 total cpu time spent up to now is 71.6 secs Computing kpt #: 151 total cpu time spent up to now is 72.0 secs Computing kpt #: 152 total cpu time spent up to now is 72.4 secs Computing kpt #: 153 total cpu time spent up to now is 72.8 secs Computing kpt #: 154 total cpu time spent up to now is 73.2 secs Computing kpt #: 155 total cpu time spent up to now is 73.6 secs Computing kpt #: 156 total cpu time spent up to now is 74.0 secs Computing kpt #: 157 total cpu time spent up to now is 74.4 secs Computing kpt #: 158 total cpu time spent up to now is 74.8 secs Computing kpt #: 159 total cpu time spent up to now is 75.3 secs Computing kpt #: 160 total cpu time spent up to now is 75.8 secs Computing kpt #: 161 total cpu time spent up to now is 76.3 secs Computing kpt #: 162 total cpu time spent up to now is 77.0 secs Computing kpt #: 163 total cpu time spent up to now is 77.6 secs Computing kpt #: 164 total cpu time spent up to now is 78.2 secs Computing kpt #: 165 total cpu time spent up to now is 78.8 secs Computing kpt #: 166 total cpu time spent up to now is 79.2 secs Computing kpt #: 167 total cpu time spent up to now is 79.7 secs Computing kpt #: 168 total cpu time spent up to now is 80.2 secs Computing kpt #: 169 total cpu time spent up to now is 80.6 secs Computing kpt #: 170 total cpu time spent up to now is 81.1 secs Computing kpt #: 171 total cpu time spent up to now is 81.5 secs Computing kpt #: 172 total cpu time spent up to now is 81.9 secs Computing kpt #: 173 total cpu time spent up to now is 82.3 secs Computing kpt #: 174 total cpu time spent up to now is 82.7 secs Computing kpt #: 175 total cpu time spent up to now is 83.1 secs Computing kpt #: 176 total cpu time spent up to now is 83.5 secs Computing kpt #: 177 total cpu time spent up to now is 83.9 secs Computing kpt #: 178 total cpu time spent up to now is 84.3 secs Computing kpt #: 179 total cpu time spent up to now is 84.7 secs Computing kpt #: 180 total cpu time spent up to now is 85.1 secs Computing kpt #: 181 total cpu time spent up to now is 85.5 secs Computing kpt #: 182 total cpu time spent up to now is 85.9 secs Computing kpt #: 183 total cpu time spent up to now is 86.3 secs Computing kpt #: 184 total cpu time spent up to now is 86.7 secs Computing kpt #: 185 total cpu time spent up to now is 87.1 secs Computing kpt #: 186 total cpu time spent up to now is 87.5 secs Computing kpt #: 187 total cpu time spent up to now is 87.9 secs Computing kpt #: 188 total cpu time spent up to now is 88.3 secs Computing kpt #: 189 total cpu time spent up to now is 88.7 secs Computing kpt #: 190 total cpu time spent up to now is 89.2 secs Computing kpt #: 191 total cpu time spent up to now is 89.6 secs Computing kpt #: 192 total cpu time spent up to now is 90.0 secs Computing kpt #: 193 total cpu time spent up to now is 90.4 secs Computing kpt #: 194 total cpu time spent up to now is 90.8 secs Computing kpt #: 195 total cpu time spent up to now is 91.2 secs Computing kpt #: 196 total cpu time spent up to now is 91.6 secs Computing kpt #: 197 total cpu time spent up to now is 92.0 secs Computing kpt #: 198 total cpu time spent up to now is 92.4 secs Computing kpt #: 199 total cpu time spent up to now is 92.8 secs Computing kpt #: 200 total cpu time spent up to now is 93.1 secs Computing kpt #: 201 total cpu time spent up to now is 93.5 secs Computing kpt #: 202 total cpu time spent up to now is 93.9 secs Computing kpt #: 203 total cpu time spent up to now is 94.2 secs Computing kpt #: 204 total cpu time spent up to now is 94.6 secs Computing kpt #: 205 total cpu time spent up to now is 94.9 secs Computing kpt #: 206 total cpu time spent up to now is 95.3 secs Computing kpt #: 207 total cpu time spent up to now is 95.7 secs Computing kpt #: 208 total cpu time spent up to now is 96.1 secs Computing kpt #: 209 total cpu time spent up to now is 96.4 secs Computing kpt #: 210 total cpu time spent up to now is 96.8 secs Computing kpt #: 211 total cpu time spent up to now is 97.2 secs Computing kpt #: 212 total cpu time spent up to now is 97.6 secs Computing kpt #: 213 total cpu time spent up to now is 98.0 secs Computing kpt #: 214 total cpu time spent up to now is 98.3 secs Computing kpt #: 215 total cpu time spent up to now is 98.7 secs Computing kpt #: 216 total cpu time spent up to now is 99.1 secs Computing kpt #: 217 total cpu time spent up to now is 99.5 secs Computing kpt #: 218 total cpu time spent up to now is 99.9 secs Computing kpt #: 219 total cpu time spent up to now is 100.3 secs Computing kpt #: 220 total cpu time spent up to now is 100.6 secs Computing kpt #: 221 total cpu time spent up to now is 101.0 secs Computing kpt #: 222 total cpu time spent up to now is 101.4 secs Computing kpt #: 223 total cpu time spent up to now is 101.8 secs Computing kpt #: 224 total cpu time spent up to now is 102.2 secs Computing kpt #: 225 total cpu time spent up to now is 102.6 secs Computing kpt #: 226 total cpu time spent up to now is 103.1 secs Computing kpt #: 227 total cpu time spent up to now is 103.5 secs Computing kpt #: 228 total cpu time spent up to now is 104.0 secs Computing kpt #: 229 total cpu time spent up to now is 104.4 secs Computing kpt #: 230 total cpu time spent up to now is 104.8 secs Computing kpt #: 231 total cpu time spent up to now is 105.4 secs Computing kpt #: 232 total cpu time spent up to now is 106.5 secs Computing kpt #: 233 total cpu time spent up to now is 107.3 secs Computing kpt #: 234 total cpu time spent up to now is 107.8 secs Computing kpt #: 235 total cpu time spent up to now is 108.2 secs Computing kpt #: 236 total cpu time spent up to now is 108.6 secs Computing kpt #: 237 total cpu time spent up to now is 109.1 secs Computing kpt #: 238 total cpu time spent up to now is 109.5 secs Computing kpt #: 239 total cpu time spent up to now is 109.9 secs Computing kpt #: 240 total cpu time spent up to now is 110.4 secs Computing kpt #: 241 total cpu time spent up to now is 110.9 secs Computing kpt #: 242 total cpu time spent up to now is 111.3 secs Computing kpt #: 243 total cpu time spent up to now is 111.7 secs Computing kpt #: 244 total cpu time spent up to now is 112.1 secs Computing kpt #: 245 total cpu time spent up to now is 112.5 secs Computing kpt #: 246 total cpu time spent up to now is 112.9 secs Computing kpt #: 247 total cpu time spent up to now is 113.3 secs Computing kpt #: 248 total cpu time spent up to now is 113.7 secs Computing kpt #: 249 total cpu time spent up to now is 114.1 secs Computing kpt #: 250 total cpu time spent up to now is 114.5 secs Computing kpt #: 251 total cpu time spent up to now is 114.9 secs Computing kpt #: 252 total cpu time spent up to now is 115.3 secs Computing kpt #: 253 total cpu time spent up to now is 115.7 secs Computing kpt #: 254 total cpu time spent up to now is 116.1 secs Computing kpt #: 255 total cpu time spent up to now is 116.5 secs Computing kpt #: 256 total cpu time spent up to now is 116.9 secs Computing kpt #: 257 total cpu time spent up to now is 117.3 secs Computing kpt #: 258 total cpu time spent up to now is 117.7 secs Computing kpt #: 259 total cpu time spent up to now is 118.1 secs Computing kpt #: 260 total cpu time spent up to now is 118.5 secs Computing kpt #: 261 total cpu time spent up to now is 118.9 secs Computing kpt #: 262 total cpu time spent up to now is 119.3 secs Computing kpt #: 263 total cpu time spent up to now is 119.7 secs Computing kpt #: 264 total cpu time spent up to now is 120.1 secs Computing kpt #: 265 total cpu time spent up to now is 120.5 secs Computing kpt #: 266 total cpu time spent up to now is 120.9 secs Computing kpt #: 267 total cpu time spent up to now is 121.3 secs Computing kpt #: 268 total cpu time spent up to now is 121.6 secs Computing kpt #: 269 total cpu time spent up to now is 122.0 secs Computing kpt #: 270 total cpu time spent up to now is 122.4 secs Computing kpt #: 271 total cpu time spent up to now is 123.1 secs Computing kpt #: 272 total cpu time spent up to now is 123.5 secs Computing kpt #: 273 total cpu time spent up to now is 123.9 secs Computing kpt #: 274 total cpu time spent up to now is 124.3 secs Computing kpt #: 275 total cpu time spent up to now is 124.7 secs Computing kpt #: 276 total cpu time spent up to now is 125.1 secs Computing kpt #: 277 total cpu time spent up to now is 125.5 secs Computing kpt #: 278 total cpu time spent up to now is 125.9 secs Computing kpt #: 279 total cpu time spent up to now is 126.3 secs Computing kpt #: 280 total cpu time spent up to now is 126.7 secs Computing kpt #: 281 total cpu time spent up to now is 127.1 secs Computing kpt #: 282 total cpu time spent up to now is 127.5 secs Computing kpt #: 283 total cpu time spent up to now is 127.9 secs Computing kpt #: 284 total cpu time spent up to now is 128.3 secs Computing kpt #: 285 total cpu time spent up to now is 128.7 secs Computing kpt #: 286 total cpu time spent up to now is 129.1 secs Computing kpt #: 287 total cpu time spent up to now is 129.5 secs Computing kpt #: 288 total cpu time spent up to now is 129.9 secs Computing kpt #: 289 total cpu time spent up to now is 130.3 secs Computing kpt #: 290 total cpu time spent up to now is 130.7 secs Computing kpt #: 291 total cpu time spent up to now is 131.1 secs Computing kpt #: 292 total cpu time spent up to now is 131.6 secs Computing kpt #: 293 total cpu time spent up to now is 132.0 secs Computing kpt #: 294 total cpu time spent up to now is 132.4 secs Computing kpt #: 295 total cpu time spent up to now is 132.8 secs Computing kpt #: 296 total cpu time spent up to now is 133.2 secs Computing kpt #: 297 total cpu time spent up to now is 133.6 secs Computing kpt #: 298 total cpu time spent up to now is 134.0 secs Computing kpt #: 299 total cpu time spent up to now is 134.5 secs Computing kpt #: 300 total cpu time spent up to now is 134.9 secs Computing kpt #: 301 total cpu time spent up to now is 135.4 secs Computing kpt #: 302 total cpu time spent up to now is 135.8 secs Computing kpt #: 303 total cpu time spent up to now is 136.5 secs Computing kpt #: 304 total cpu time spent up to now is 137.6 secs Computing kpt #: 305 total cpu time spent up to now is 138.1 secs Computing kpt #: 306 total cpu time spent up to now is 138.6 secs Computing kpt #: 307 total cpu time spent up to now is 139.2 secs Computing kpt #: 308 total cpu time spent up to now is 139.7 secs Computing kpt #: 309 total cpu time spent up to now is 140.2 secs Computing kpt #: 310 total cpu time spent up to now is 140.7 secs Computing kpt #: 311 total cpu time spent up to now is 141.2 secs Computing kpt #: 312 total cpu time spent up to now is 141.7 secs Computing kpt #: 313 total cpu time spent up to now is 142.2 secs Computing kpt #: 314 total cpu time spent up to now is 142.8 secs Computing kpt #: 315 total cpu time spent up to now is 143.3 secs Computing kpt #: 316 total cpu time spent up to now is 143.9 secs Computing kpt #: 317 total cpu time spent up to now is 144.4 secs Computing kpt #: 318 total cpu time spent up to now is 144.9 secs Computing kpt #: 319 total cpu time spent up to now is 145.4 secs Computing kpt #: 320 total cpu time spent up to now is 145.9 secs Computing kpt #: 321 total cpu time spent up to now is 146.4 secs Computing kpt #: 322 total cpu time spent up to now is 146.8 secs Computing kpt #: 323 total cpu time spent up to now is 147.3 secs Computing kpt #: 324 total cpu time spent up to now is 147.7 secs Computing kpt #: 325 total cpu time spent up to now is 148.1 secs Computing kpt #: 326 total cpu time spent up to now is 148.5 secs Computing kpt #: 327 total cpu time spent up to now is 148.9 secs Computing kpt #: 328 total cpu time spent up to now is 149.3 secs Computing kpt #: 329 total cpu time spent up to now is 149.8 secs Computing kpt #: 330 total cpu time spent up to now is 150.2 secs Computing kpt #: 331 total cpu time spent up to now is 150.7 secs Computing kpt #: 332 total cpu time spent up to now is 151.1 secs Computing kpt #: 333 total cpu time spent up to now is 151.5 secs Computing kpt #: 334 total cpu time spent up to now is 151.9 secs Computing kpt #: 335 total cpu time spent up to now is 152.3 secs Computing kpt #: 336 total cpu time spent up to now is 152.7 secs Computing kpt #: 337 total cpu time spent up to now is 153.1 secs Computing kpt #: 338 total cpu time spent up to now is 153.5 secs Computing kpt #: 339 total cpu time spent up to now is 153.9 secs Computing kpt #: 340 total cpu time spent up to now is 154.3 secs Computing kpt #: 341 total cpu time spent up to now is 154.7 secs Computing kpt #: 342 total cpu time spent up to now is 155.2 secs Computing kpt #: 343 total cpu time spent up to now is 155.6 secs Computing kpt #: 344 total cpu time spent up to now is 156.1 secs Computing kpt #: 345 total cpu time spent up to now is 156.5 secs Computing kpt #: 346 total cpu time spent up to now is 157.0 secs Computing kpt #: 347 total cpu time spent up to now is 157.5 secs Computing kpt #: 348 total cpu time spent up to now is 158.0 secs Computing kpt #: 349 total cpu time spent up to now is 158.4 secs Computing kpt #: 350 total cpu time spent up to now is 158.9 secs Computing kpt #: 351 total cpu time spent up to now is 159.3 secs Computing kpt #: 352 total cpu time spent up to now is 159.7 secs Computing kpt #: 353 total cpu time spent up to now is 160.2 secs Computing kpt #: 354 total cpu time spent up to now is 160.6 secs Computing kpt #: 355 total cpu time spent up to now is 161.1 secs Computing kpt #: 356 total cpu time spent up to now is 161.5 secs Computing kpt #: 357 total cpu time spent up to now is 161.9 secs Computing kpt #: 358 total cpu time spent up to now is 162.3 secs Computing kpt #: 359 total cpu time spent up to now is 162.8 secs Computing kpt #: 360 total cpu time spent up to now is 163.2 secs Computing kpt #: 361 total cpu time spent up to now is 163.6 secs Computing kpt #: 362 total cpu time spent up to now is 164.0 secs Computing kpt #: 363 total cpu time spent up to now is 164.4 secs Computing kpt #: 364 total cpu time spent up to now is 164.9 secs Computing kpt #: 365 total cpu time spent up to now is 165.3 secs Computing kpt #: 366 total cpu time spent up to now is 165.7 secs Computing kpt #: 367 total cpu time spent up to now is 166.1 secs Computing kpt #: 368 total cpu time spent up to now is 166.5 secs Computing kpt #: 369 total cpu time spent up to now is 167.0 secs Computing kpt #: 370 total cpu time spent up to now is 167.4 secs Computing kpt #: 371 total cpu time spent up to now is 167.9 secs Computing kpt #: 372 total cpu time spent up to now is 168.3 secs Computing kpt #: 373 total cpu time spent up to now is 168.8 secs Computing kpt #: 374 total cpu time spent up to now is 169.2 secs Computing kpt #: 375 total cpu time spent up to now is 169.6 secs Computing kpt #: 376 total cpu time spent up to now is 170.1 secs Computing kpt #: 377 total cpu time spent up to now is 170.5 secs Computing kpt #: 378 total cpu time spent up to now is 171.0 secs Computing kpt #: 379 total cpu time spent up to now is 171.4 secs Computing kpt #: 380 total cpu time spent up to now is 171.9 secs Computing kpt #: 381 total cpu time spent up to now is 172.3 secs Computing kpt #: 382 total cpu time spent up to now is 172.8 secs Computing kpt #: 383 total cpu time spent up to now is 173.2 secs Computing kpt #: 384 total cpu time spent up to now is 173.7 secs Computing kpt #: 385 total cpu time spent up to now is 174.1 secs Computing kpt #: 386 total cpu time spent up to now is 174.6 secs Computing kpt #: 387 total cpu time spent up to now is 175.0 secs Computing kpt #: 388 total cpu time spent up to now is 175.5 secs Computing kpt #: 389 total cpu time spent up to now is 175.9 secs Computing kpt #: 390 total cpu time spent up to now is 176.3 secs Computing kpt #: 391 total cpu time spent up to now is 176.7 secs Computing kpt #: 392 total cpu time spent up to now is 177.1 secs Computing kpt #: 393 total cpu time spent up to now is 177.5 secs Computing kpt #: 394 total cpu time spent up to now is 177.9 secs Computing kpt #: 395 total cpu time spent up to now is 178.3 secs Computing kpt #: 396 total cpu time spent up to now is 178.7 secs Computing kpt #: 397 total cpu time spent up to now is 179.1 secs Computing kpt #: 398 total cpu time spent up to now is 179.4 secs Computing kpt #: 399 total cpu time spent up to now is 179.8 secs Computing kpt #: 400 total cpu time spent up to now is 180.2 secs Computing kpt #: 401 total cpu time spent up to now is 180.6 secs Computing kpt #: 402 total cpu time spent up to now is 180.9 secs Computing kpt #: 403 total cpu time spent up to now is 181.4 secs Computing kpt #: 404 total cpu time spent up to now is 181.8 secs Computing kpt #: 405 total cpu time spent up to now is 182.2 secs Computing kpt #: 406 total cpu time spent up to now is 182.7 secs Computing kpt #: 407 total cpu time spent up to now is 183.1 secs Computing kpt #: 408 total cpu time spent up to now is 183.5 secs Computing kpt #: 409 total cpu time spent up to now is 184.2 secs Computing kpt #: 410 total cpu time spent up to now is 184.6 secs Computing kpt #: 411 total cpu time spent up to now is 185.0 secs Computing kpt #: 412 total cpu time spent up to now is 185.4 secs Computing kpt #: 413 total cpu time spent up to now is 185.9 secs Computing kpt #: 414 total cpu time spent up to now is 186.4 secs ethr = 5.00E-08, avg # of iterations = 22.0 total cpu time spent up to now is 186.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): 0.2479 0.2479 0.4258 0.4258 1.1523 1.1523 1.1965 1.1965 1.4958 1.4958 2.2989 2.2989 6.0970 6.0970 7.1619 7.1619 8.0594 8.0594 9.2641 9.2641 10.3239 10.3239 11.0875 11.0875 11.6526 11.6526 11.7119 11.7119 k = 0.0000 0.0000 0.0223 ( 2639 PWs) bands (ev): 0.2482 0.2482 0.4261 0.4261 1.1523 1.1523 1.1963 1.1963 1.4954 1.4954 2.3005 2.3005 6.0991 6.0991 7.1627 7.1627 8.0609 8.0609 9.2652 9.2652 10.3213 10.3213 11.0843 11.0844 11.6537 11.6537 11.7133 11.7133 k = 0.0000 0.0000 0.0446 ( 2651 PWs) bands (ev): 0.2492 0.2492 0.4268 0.4268 1.1521 1.1521 1.1956 1.1956 1.4944 1.4944 2.3055 2.3055 6.1053 6.1053 7.1651 7.1651 8.0653 8.0653 9.2684 9.2684 10.3137 10.3137 11.0749 11.0749 11.6554 11.6554 11.7192 11.7192 k = 0.0000 0.0000 0.0668 ( 2655 PWs) bands (ev): 0.2511 0.2511 0.4280 0.4280 1.1520 1.1520 1.1947 1.1947 1.4929 1.4929 2.3138 2.3138 6.1157 6.1157 7.1690 7.1690 8.0726 8.0726 9.2738 9.2738 10.3014 10.3014 11.0595 11.0595 11.6534 11.6534 11.7333 11.7333 k = 0.0000 0.0000 0.0891 ( 2659 PWs) bands (ev): 0.2536 0.2536 0.4298 0.4298 1.1518 1.1518 1.1935 1.1935 1.4907 1.4907 2.3254 2.3254 6.1302 6.1302 7.1745 7.1745 8.0829 8.0829 9.2812 9.2812 10.2849 10.2849 11.0388 11.0388 11.6456 11.6456 11.7575 11.7575 k = 0.0000 0.0000 0.1114 ( 2671 PWs) bands (ev): 0.2569 0.2569 0.4319 0.4319 1.1516 1.1516 1.1919 1.1919 1.4879 1.4879 2.3404 2.3404 6.1489 6.1489 7.1815 7.1815 8.0960 8.0960 9.2907 9.2907 10.2651 10.2651 11.0135 11.0135 11.6325 11.6325 11.7904 11.7904 k = 0.0000 0.0000 0.1337 ( 2671 PWs) bands (ev): 0.2609 0.2609 0.4345 0.4345 1.1514 1.1514 1.1901 1.1901 1.4845 1.4845 2.3587 2.3587 6.1715 6.1715 7.1900 7.1900 8.1121 8.1121 9.3023 9.3023 10.2425 10.2425 10.9842 10.9842 11.6149 11.6149 11.8304 11.8304 k = 0.0000 0.0000 0.1559 ( 2675 PWs) bands (ev): 0.2656 0.2656 0.4375 0.4375 1.1511 1.1511 1.1880 1.1880 1.4806 1.4806 2.3803 2.3803 6.1982 6.1982 7.2001 7.2001 8.1310 8.1310 9.3159 9.3159 10.2179 10.2179 10.9519 10.9519 11.5936 11.5936 11.8760 11.8760 k = 0.0000 0.0000 0.1782 ( 2675 PWs) bands (ev): 0.2710 0.2710 0.4410 0.4410 1.1508 1.1508 1.1857 1.1857 1.4760 1.4760 2.4053 2.4053 6.2288 6.2288 7.2116 7.2116 8.1528 8.1528 9.3315 9.3315 10.1919 10.1919 10.9173 10.9173 11.5689 11.5689 11.9262 11.9262 k = 0.0000 0.0000 0.2005 ( 2675 PWs) bands (ev): 0.2771 0.2771 0.4447 0.4447 1.1504 1.1504 1.1832 1.1832 1.4709 1.4709 2.4336 2.4336 6.2633 6.2633 7.2245 7.2245 8.1773 8.1773 9.3489 9.3489 10.1653 10.1653 10.8811 10.8811 11.5412 11.5412 11.9797 11.9797 k = 0.0000 0.0000 0.2228 ( 2671 PWs) bands (ev): 0.2839 0.2839 0.4487 0.4487 1.1499 1.1499 1.1806 1.1806 1.4652 1.4652 2.4653 2.4653 6.3015 6.3015 7.2389 7.2389 8.2046 8.2046 9.3681 9.3681 10.1384 10.1384 10.8441 10.8441 11.5106 11.5106 12.0357 12.0357 k = 0.0000 0.0000 0.2451 ( 2659 PWs) bands (ev): 0.2914 0.2914 0.4530 0.4530 1.1493 1.1493 1.1781 1.1781 1.4589 1.4589 2.5003 2.5003 6.3435 6.3435 7.2546 7.2546 8.2347 8.2347 9.3890 9.3890 10.1118 10.1118 10.8068 10.8068 11.4775 11.4775 12.0929 12.0929 k = 0.0000 0.0000 0.2673 ( 2655 PWs) bands (ev): 0.2994 0.2994 0.4575 0.4575 1.1485 1.1485 1.1755 1.1755 1.4520 1.4520 2.5387 2.5387 6.3891 6.3891 7.2717 7.2717 8.2673 8.2673 9.4116 9.4116 10.0858 10.0858 10.7699 10.7699 11.4420 11.4420 12.1505 12.1505 k = 0.0000 0.0000 0.2896 ( 2667 PWs) bands (ev): 0.3078 0.3078 0.4620 0.4620 1.1474 1.1474 1.1728 1.1728 1.4443 1.4443 2.5804 2.5804 6.4381 6.4381 7.2900 7.2900 8.3026 8.3026 9.4356 9.4356 10.0609 10.0609 10.7338 10.7338 11.4044 11.4044 12.2070 12.2070 k = 0.0000 0.0000 0.3119 ( 2667 PWs) bands (ev): 0.3169 0.3169 0.4666 0.4666 1.1460 1.1460 1.1706 1.1706 1.4362 1.4362 2.6255 2.6255 6.4904 6.4904 7.3094 7.3094 8.3404 8.3404 9.4610 9.4610 10.0371 10.0371 10.6989 10.6989 11.3649 11.3649 12.2611 12.2611 k = 0.0000 0.0000 0.3342 ( 2671 PWs) bands (ev): 0.3264 0.3264 0.4712 0.4712 1.1441 1.1441 1.1687 1.1687 1.4275 1.4275 2.6738 2.6738 6.5460 6.5460 7.3301 7.3301 8.3807 8.3807 9.4875 9.4875 10.0149 10.0149 10.6656 10.6656 11.3238 11.3238 12.3113 12.3113 k = 0.0000 0.0000 0.3564 ( 2675 PWs) bands (ev): 0.3363 0.3363 0.4758 0.4758 1.1418 1.1418 1.1674 1.1674 1.4182 1.4182 2.7254 2.7254 6.6046 6.6046 7.3517 7.3517 8.4233 8.4233 9.5151 9.5151 9.9943 9.9943 10.6342 10.6342 11.2813 11.2813 12.3553 12.3553 k = 0.0000 0.0000 0.3787 ( 2671 PWs) bands (ev): 0.3466 0.3466 0.4804 0.4804 1.1393 1.1393 1.1665 1.1665 1.4085 1.4085 2.7802 2.7802 6.6661 6.6661 7.3744 7.3744 8.4681 8.4681 9.5435 9.5435 9.9754 9.9754 10.6050 10.6050 11.2377 11.2377 12.3908 12.3908 k = 0.0000 0.0000 0.4010 ( 2669 PWs) bands (ev): 0.3573 0.3573 0.4849 0.4849 1.1364 1.1364 1.1662 1.1662 1.3983 1.3983 2.8382 2.8382 6.7303 6.7303 7.3979 7.3979 8.5151 8.5151 9.5724 9.5724 9.9584 9.9584 10.5783 10.5783 11.1933 11.1933 12.4092 12.4093 k = 0.0000 0.0000 0.4233 ( 2669 PWs) bands (ev): 0.3681 0.3681 0.4891 0.4891 1.1334 1.1334 1.1662 1.1662 1.3875 1.3875 2.8994 2.8994 6.7969 6.7969 7.4222 7.4222 8.5640 8.5640 9.6017 9.6017 9.9432 9.9432 10.5541 10.5541 11.1483 11.1483 12.3560 12.3560 k = 0.0000 0.0000 0.4456 ( 2665 PWs) bands (ev): 0.3792 0.3792 0.4932 0.4932 1.1304 1.1304 1.1666 1.1666 1.3765 1.3765 2.9637 2.9637 6.8658 6.8658 7.4472 7.4472 8.6147 8.6147 9.6309 9.6309 9.9300 9.9300 10.5327 10.5327 11.1032 11.1032 12.2849 12.2849 k = 0.0000 0.0000 0.4678 ( 2665 PWs) bands (ev): 0.3903 0.3903 0.4970 0.4970 1.1274 1.1274 1.1673 1.1673 1.3649 1.3649 3.0310 3.0310 6.9366 6.9366 7.4729 7.4729 8.6671 8.6671 9.6599 9.6599 9.9186 9.9186 10.5141 10.5141 11.0582 11.0582 12.2077 12.2077 k = 0.0000 0.0000 0.4901 ( 2669 PWs) bands (ev): 0.4014 0.4014 0.5004 0.5004 1.1246 1.1246 1.1683 1.1683 1.3530 1.3530 3.1013 3.1013 7.0092 7.0092 7.4990 7.4990 8.7208 8.7208 9.6881 9.6881 9.9092 9.9092 10.4983 10.4983 11.0138 11.0138 12.1269 12.1269 k = 0.0000 0.0000 0.5124 ( 2677 PWs) bands (ev): 0.4123 0.4123 0.5035 0.5035 1.1221 1.1221 1.1695 1.1695 1.3406 1.3406 3.1745 3.1745 7.0832 7.0832 7.5255 7.5255 8.7756 8.7756 9.7153 9.7153 9.9014 9.9014 10.4852 10.4852 10.9702 10.9702 12.0440 12.0440 k = 0.0000 0.0000 0.5347 ( 2677 PWs) bands (ev): 0.4231 0.4231 0.5063 0.5063 1.1202 1.1202 1.1710 1.1710 1.3281 1.3281 3.2506 3.2506 7.1582 7.1582 7.5524 7.5524 8.8311 8.8311 9.7409 9.7409 9.8954 9.8954 10.4747 10.4747 10.9281 10.9281 11.9601 11.9601 k = 0.0000 0.0000 0.5570 ( 2687 PWs) bands (ev): 0.4335 0.4335 0.5087 0.5087 1.1187 1.1187 1.1725 1.1725 1.3153 1.3153 3.3295 3.3295 7.2339 7.2339 7.5794 7.5794 8.8871 8.8871 9.7645 9.7645 9.8909 9.8909 10.4665 10.4665 10.8879 10.8879 11.8760 11.8761 k = 0.0000 0.0000 0.5792 ( 2679 PWs) bands (ev): 0.4435 0.4435 0.5109 0.5109 1.1181 1.1181 1.1743 1.1743 1.3025 1.3025 3.4111 3.4111 7.3098 7.3098 7.6066 7.6066 8.9429 8.9429 9.7855 9.7855 9.8880 9.8880 10.4602 10.4602 10.8502 10.8502 11.7929 11.7929 k = 0.0000 0.0000 0.6015 ( 2671 PWs) bands (ev): 0.4528 0.4528 0.5127 0.5127 1.1183 1.1183 1.1761 1.1761 1.2897 1.2897 3.4952 3.4952 7.3856 7.3856 7.6338 7.6338 8.9981 8.9981 9.8034 9.8034 9.8863 9.8863 10.4552 10.4552 10.8156 10.8156 11.7118 11.7119 k = 0.0000 0.0000 0.6238 ( 2671 PWs) bands (ev): 0.4614 0.4614 0.5142 0.5142 1.1194 1.1194 1.1777 1.1777 1.2770 1.2770 3.5819 3.5819 7.4606 7.4606 7.6610 7.6610 9.0519 9.0519 9.8176 9.8176 9.8859 9.8859 10.4507 10.4507 10.7849 10.7849 11.6339 11.6339 k = 0.0000 0.0000 0.6461 ( 2675 PWs) bands (ev): 0.4690 0.4690 0.5153 0.5153 1.1214 1.1214 1.1790 1.1790 1.2646 1.2646 3.6710 3.6710 7.5342 7.5342 7.6881 7.6881 9.1038 9.1038 9.8277 9.8277 9.8865 9.8865 10.4459 10.4459 10.7589 10.7589 11.5606 11.5606 k = 0.0000 0.0000 0.6683 ( 2671 PWs) bands (ev): 0.4756 0.4756 0.5161 0.5161 1.1247 1.1247 1.1796 1.1796 1.2530 1.2530 3.7623 3.7623 7.6056 7.6056 7.7152 7.7152 9.1527 9.1527 9.8338 9.8338 9.8876 9.8876 10.4394 10.4394 10.7385 10.7385 11.4934 11.4934 k = 0.0000 0.0000 0.6906 ( 2671 PWs) bands (ev): 0.4810 0.4810 0.5168 0.5168 1.1291 1.1291 1.1790 1.1790 1.2426 1.2426 3.8559 3.8559 7.6738 7.6738 7.7426 7.7426 9.1977 9.1977 9.8360 9.8360 9.8887 9.8887 10.4300 10.4300 10.7248 10.7248 11.4341 11.4341 k = 0.0000 0.0000 0.7129 ( 2671 PWs) bands (ev): 0.4852 0.4852 0.5172 0.5172 1.1348 1.1348 1.1764 1.1764 1.2344 1.2344 3.9514 3.9514 7.7359 7.7359 7.7725 7.7725 9.2380 9.2380 9.8345 9.8345 9.8892 9.8892 10.4160 10.4160 10.7186 10.7186 11.3843 11.3843 k = 0.0000 0.0000 0.7352 ( 2671 PWs) bands (ev): 0.4880 0.4880 0.5173 0.5173 1.1418 1.1418 1.1712 1.1712 1.2291 1.2291 4.0489 4.0489 7.7812 7.7812 7.8144 7.8144 9.2726 9.2726 9.8293 9.8293 9.8894 9.8894 10.3962 10.3962 10.7210 10.7210 11.3457 11.3457 k = 0.0000 0.0000 0.7575 ( 2659 PWs) bands (ev): 0.4896 0.4896 0.5173 0.5173 1.1502 1.1502 1.1632 1.1632 1.2269 1.2269 4.1481 4.1481 7.8106 7.8106 7.8667 7.8667 9.3007 9.3007 9.8201 9.8201 9.8898 9.8898 10.3696 10.3696 10.7329 10.7329 11.3191 11.3191 k = 0.0000 0.0000 0.7797 ( 2651 PWs) bands (ev): 0.4900 0.4900 0.5167 0.5167 1.1529 1.1529 1.1599 1.1599 1.2272 1.2272 4.2490 4.2490 7.8359 7.8359 7.9165 7.9165 9.3217 9.3217 9.8063 9.8063 9.8914 9.8914 10.3361 10.3361 10.7549 10.7549 11.3050 11.3050 k = 0.0000 0.0000 0.8020 ( 2651 PWs) bands (ev): 0.4894 0.4894 0.5155 0.5155 1.1414 1.1414 1.1704 1.1704 1.2293 1.2293 4.3513 4.3513 7.8597 7.8597 7.9603 7.9603 9.3355 9.3355 9.7878 9.7878 9.8954 9.8954 10.2963 10.2963 10.7874 10.7874 11.3027 11.3027 k = 0.0000 0.0000 0.8243 ( 2651 PWs) bands (ev): 0.4880 0.4880 0.5136 0.5136 1.1290 1.1290 1.1817 1.1817 1.2330 1.2330 4.4548 4.4548 7.8822 7.8822 7.9967 7.9967 9.3421 9.3421 9.7647 9.7647 9.9026 9.9026 10.2513 10.2513 10.8302 10.8302 11.3110 11.3110 k = 0.0000 0.0000 0.8466 ( 2648 PWs) bands (ev): 0.4859 0.4859 0.5110 0.5110 1.1163 1.1163 1.1934 1.1934 1.2383 1.2383 4.5595 4.5595 7.9035 7.9035 8.0250 8.0250 9.3421 9.3421 9.7373 9.7373 9.9139 9.9139 10.2028 10.2028 10.8830 10.8830 11.3284 11.3284 k = 0.0000 0.0000 0.8688 ( 2652 PWs) bands (ev): 0.4831 0.4831 0.5076 0.5076 1.1033 1.1033 1.2045 1.2045 1.2457 1.2457 4.6650 4.6650 7.9235 7.9235 8.0445 8.0445 9.3360 9.3360 9.7059 9.7059 9.9299 9.9299 10.1526 10.1526 10.9451 10.9451 11.3531 11.3531 k = 0.0000 0.0000 0.8911 ( 2654 PWs) bands (ev): 0.4798 0.4798 0.5034 0.5034 1.0903 1.0903 1.2141 1.2141 1.2559 1.2559 4.7712 4.7712 7.9420 7.9420 8.0550 8.0550 9.3246 9.3246 9.6710 9.6710 9.9511 9.9511 10.1027 10.1027 11.0157 11.0157 11.3834 11.3834 k = 0.0000 0.0000 0.9134 ( 2654 PWs) bands (ev): 0.4759 0.4759 0.4987 0.4987 1.0774 1.0774 1.2218 1.2218 1.2693 1.2693 4.8778 4.8778 7.9587 7.9587 8.0564 8.0564 9.3089 9.3089 9.6330 9.6330 9.9765 9.9765 10.0559 10.0559 11.0941 11.0941 11.4177 11.4177 k = 0.0000 0.0000 0.9357 ( 2654 PWs) bands (ev): 0.4715 0.4715 0.4935 0.4935 1.0646 1.0646 1.2279 1.2279 1.2852 1.2852 4.9846 4.9846 7.9735 7.9735 8.0490 8.0490 9.2895 9.2895 9.5924 9.5924 9.9894 9.9894 10.0304 10.0304 11.1793 11.1793 11.4545 11.4545 k = 0.0000 0.0000 0.9580 ( 2658 PWs) bands (ev): 0.4664 0.4664 0.4880 0.4880 1.0521 1.0521 1.2328 1.2328 1.3031 1.3031 5.0914 5.0914 7.9859 7.9859 8.0336 8.0336 9.2673 9.2673 9.5495 9.5495 9.9575 9.9575 10.0599 10.0599 11.2707 11.2707 11.4926 11.4926 k = 0.0000 0.0000 0.9802 ( 2658 PWs) bands (ev): 0.4606 0.4606 0.4824 0.4824 1.0399 1.0399 1.2371 1.2371 1.3224 1.3224 5.1978 5.1978 7.9948 7.9948 8.0116 8.0116 9.2429 9.2429 9.5049 9.5049 9.9218 9.9218 10.1041 10.1041 11.3674 11.3674 11.5307 11.5307 k = 0.0000 0.0000 1.0025 ( 2672 PWs) bands (ev): 0.4540 0.4540 0.4768 0.4768 1.0278 1.0278 1.2409 1.2409 1.3425 1.3425 5.3037 5.3037 7.9795 7.9795 8.0046 8.0046 9.2169 9.2169 9.4588 9.4588 9.8912 9.8912 10.1548 10.1548 11.4688 11.4688 11.5680 11.5680 k = 0.0000 0.0000 1.0248 ( 2660 PWs) bands (ev): 0.4468 0.4468 0.4716 0.4716 1.0163 1.0163 1.2444 1.2444 1.3636 1.3636 5.4087 5.4087 7.9450 7.9450 8.0080 8.0080 9.1898 9.1898 9.4117 9.4117 9.8673 9.8673 10.2108 10.2108 11.5721 11.5721 11.6055 11.6055 k = 0.0000 0.0000 1.0471 ( 2660 PWs) bands (ev): 0.4389 0.4389 0.4666 0.4666 1.0051 1.0051 1.2476 1.2476 1.3851 1.3851 5.5125 5.5125 7.9055 7.9055 8.0085 8.0085 9.1620 9.1620 9.3639 9.3639 9.8510 9.8510 10.2713 10.2713 11.6306 11.6306 11.6886 11.6886 k = 0.0000 0.0000 1.0693 ( 2656 PWs) bands (ev): 0.4305 0.4305 0.4618 0.4618 0.9942 0.9942 1.2506 1.2506 1.4070 1.4070 5.6149 5.6149 7.8623 7.8623 8.0056 8.0056 9.1339 9.1339 9.3157 9.3157 9.8431 9.8431 10.3357 10.3357 11.6595 11.6595 11.8010 11.8010 k = 0.0000 0.0000 1.0916 ( 2656 PWs) bands (ev): 0.4216 0.4216 0.4572 0.4572 0.9838 0.9838 1.2534 1.2534 1.4290 1.4290 5.7155 5.7155 7.8164 7.8164 7.9991 7.9991 9.1057 9.1057 9.2674 9.2674 9.8439 9.8439 10.4033 10.4033 11.6830 11.6830 11.9174 11.9174 k = 0.0000 0.0000 1.1139 ( 2668 PWs) bands (ev): 0.4124 0.4124 0.4527 0.4527 0.9736 0.9736 1.2559 1.2559 1.4509 1.4509 5.8140 5.8140 7.7687 7.7687 7.9890 7.9890 9.0778 9.0778 9.2194 9.2194 9.8539 9.8539 10.4737 10.4737 11.7014 11.7014 12.0369 12.0369 k = 0.0000 0.0000 1.1362 ( 2664 PWs) bands (ev): 0.4031 0.4031 0.4485 0.4485 0.9640 0.9640 1.2583 1.2583 1.4730 1.4730 5.9101 5.9101 7.7197 7.7197 7.9757 7.9757 9.0502 9.0502 9.1718 9.1718 9.8730 9.8730 10.5465 10.5465 11.7145 11.7145 12.1588 12.1588 k = 0.0000 0.0000 1.1585 ( 2668 PWs) bands (ev): 0.3937 0.3937 0.4443 0.4443 0.9548 0.9548 1.2604 1.2604 1.4948 1.4948 6.0036 6.0036 7.6702 7.6702 7.9592 7.9592 9.0233 9.0233 9.1249 9.1249 9.9012 9.9012 10.6211 10.6211 11.7223 11.7223 12.2824 12.2824 k = 0.0000 0.0000 1.1807 ( 2666 PWs) bands (ev): 0.3843 0.3843 0.4404 0.4404 0.9461 0.9461 1.2625 1.2625 1.5163 1.5163 6.0942 6.0942 7.6208 7.6208 7.9401 7.9401 8.9972 8.9972 9.0790 9.0790 9.9382 9.9382 10.6971 10.6971 11.7248 11.7248 12.4063 12.4063 k = 0.0000 0.0000 1.2030 ( 2666 PWs) bands (ev): 0.3751 0.3751 0.4367 0.4367 0.9378 0.9378 1.2644 1.2644 1.5373 1.5373 6.1815 6.1815 7.5720 7.5720 7.9187 7.9187 8.9719 8.9719 9.0344 9.0344 9.9836 9.9836 10.7742 10.7742 11.7225 11.7225 12.5239 12.5239 k = 0.0000 0.0000 1.2253 ( 2670 PWs) bands (ev): 0.3660 0.3660 0.4330 0.4330 0.9300 0.9300 1.2661 1.2661 1.5578 1.5578 6.2654 6.2654 7.5242 7.5242 7.8955 7.8955 8.9477 8.9477 8.9911 8.9911 10.0371 10.0371 10.8520 10.8520 11.7155 11.7155 12.6069 12.6069 k = 0.0000 0.0000 1.2476 ( 2670 PWs) bands (ev): 0.3572 0.3572 0.4296 0.4296 0.9226 0.9226 1.2677 1.2677 1.5777 1.5777 6.3456 6.3456 7.4778 7.4778 7.8709 7.8709 8.9244 8.9244 8.9495 8.9495 10.0979 10.0979 10.9299 10.9299 11.7045 11.7045 12.6471 12.6471 k = 0.0000 0.0000 1.2699 ( 2682 PWs) bands (ev): 0.3486 0.3486 0.4262 0.4262 0.9156 0.9156 1.2691 1.2691 1.5966 1.5966 6.4219 6.4219 7.4331 7.4331 7.8454 7.8454 8.9019 8.9019 8.9102 8.9102 10.1654 10.1654 11.0078 11.0078 11.6900 11.6900 12.6722 12.6722 k = 0.0000 0.0000 1.2921 ( 2682 PWs) bands (ev): 0.3404 0.3404 0.4231 0.4231 0.9092 0.9092 1.2705 1.2705 1.6149 1.6149 6.4941 6.4941 7.3904 7.3904 7.8195 7.8195 8.8709 8.8709 8.8827 8.8827 10.2390 10.2390 11.0851 11.0851 11.6725 11.6725 12.6897 12.6897 k = 0.0000 0.0000 1.3144 ( 2674 PWs) bands (ev): 0.3328 0.3328 0.4203 0.4203 0.9033 0.9033 1.2717 1.2717 1.6324 1.6324 6.5621 6.5621 7.3501 7.3501 7.7935 7.7935 8.8354 8.8354 8.8630 8.8630 10.3176 10.3176 11.1613 11.1613 11.6527 11.6527 12.7013 12.7013 k = 0.0000 0.0000 1.3367 ( 2682 PWs) bands (ev): 0.3254 0.3254 0.4176 0.4176 0.8978 0.8978 1.2728 1.2728 1.6486 1.6486 6.6256 6.6256 7.3122 7.3122 7.7678 7.7678 8.8020 8.8020 8.8450 8.8450 10.4006 10.4006 11.2359 11.2359 11.6311 11.6311 12.7077 12.7077 k = 0.0000 0.0000 1.3590 ( 2682 PWs) bands (ev): 0.3187 0.3187 0.4151 0.4151 0.8928 0.8928 1.2737 1.2737 1.6638 1.6638 6.6846 6.6846 7.2771 7.2771 7.7428 7.7428 8.7709 8.7709 8.8284 8.8284 10.4869 10.4869 11.3081 11.3081 11.6084 11.6084 12.7093 12.7093 k = 0.0000 0.0000 1.3812 ( 2676 PWs) bands (ev): 0.3125 0.3125 0.4128 0.4128 0.8883 0.8883 1.2746 1.2746 1.6779 1.6779 6.7389 6.7389 7.2448 7.2448 7.7188 7.7188 8.7424 8.7424 8.8133 8.8133 10.5754 10.5754 11.3769 11.3769 11.5856 11.5856 12.7067 12.7067 k = 0.0000 0.0000 1.4035 ( 2676 PWs) bands (ev): 0.3068 0.3068 0.4107 0.4107 0.8842 0.8842 1.2754 1.2754 1.6906 1.6906 6.7884 6.7884 7.2156 7.2156 7.6961 7.6961 8.7166 8.7166 8.7997 8.7997 10.6651 10.6651 11.4393 11.4393 11.5650 11.5650 12.7004 12.7004 k = 0.0000 0.0000 1.4258 ( 2672 PWs) bands (ev): 0.3018 0.3018 0.4089 0.4089 0.8807 0.8807 1.2760 1.2760 1.7021 1.7021 6.8329 6.8329 7.1895 7.1895 7.6749 7.6749 8.6936 8.6936 8.7877 8.7877 10.7546 10.7546 11.4829 11.4829 11.5583 11.5583 12.6910 12.6910 k = 0.0000 0.0000 1.4481 ( 2674 PWs) bands (ev): 0.2973 0.2973 0.4073 0.4073 0.8776 0.8776 1.2766 1.2766 1.7122 1.7122 6.8722 6.8722 7.1667 7.1667 7.6556 7.6556 8.6734 8.6734 8.7772 8.7772 10.8426 10.8426 11.4827 11.4827 11.5897 11.5897 12.6794 12.6794 k = 0.0000 0.0000 1.4704 ( 2678 PWs) bands (ev): 0.2935 0.2935 0.4060 0.4060 0.8749 0.8749 1.2770 1.2770 1.7207 1.7207 6.9062 6.9062 7.1472 7.1472 7.6385 7.6385 8.6562 8.6562 8.7683 8.7683 10.9277 10.9277 11.4603 11.4603 11.6361 11.6361 12.6665 12.6665 k = 0.0000 0.0000 1.4926 ( 2678 PWs) bands (ev): 0.2903 0.2903 0.4048 0.4048 0.8728 0.8728 1.2774 1.2774 1.7279 1.7279 6.9345 6.9345 7.1311 7.1311 7.6239 7.6239 8.6420 8.6420 8.7610 8.7610 11.0086 11.0086 11.4318 11.4318 11.6798 11.6798 12.6533 12.6533 k = 0.0000 0.0000 1.5149 ( 2686 PWs) bands (ev): 0.2878 0.2878 0.4039 0.4039 0.8710 0.8710 1.2776 1.2776 1.7333 1.7333 6.9570 6.9570 7.1185 7.1185 7.6120 7.6120 8.6309 8.6309 8.7553 8.7553 11.0839 11.0839 11.3994 11.3994 11.7165 11.7165 12.6412 12.6412 k = 0.0000 0.0000 1.5372 ( 2702 PWs) bands (ev): 0.2860 0.2860 0.4032 0.4032 0.8698 0.8698 1.2778 1.2778 1.7370 1.7370 6.9733 6.9733 7.1094 7.1094 7.6033 7.6033 8.6230 8.6230 8.7512 8.7512 11.1525 11.1525 11.3630 11.3630 11.7441 11.7441 12.6313 12.6313 k = 0.0000 0.0000 1.5595 ( 2690 PWs) bands (ev): 0.2850 0.2850 0.4029 0.4029 0.8692 0.8692 1.2779 1.2779 1.7396 1.7396 6.9832 6.9832 7.1039 7.1039 7.5979 7.5979 8.6182 8.6182 8.7488 8.7488 11.2130 11.2130 11.3225 11.3225 11.7613 11.7613 12.6248 12.6248 k = 0.0000 0.0000 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4028 0.4028 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9865 6.9865 7.1021 7.1021 7.5961 7.5961 8.6166 8.6166 8.7480 8.7480 11.2528 11.2528 11.2896 11.2896 11.7672 11.7672 12.6226 12.6226 k = 0.0000 0.0000 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4028 0.4028 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9865 6.9865 7.1021 7.1021 7.5961 7.5961 8.6166 8.6166 8.7480 8.7480 11.2528 11.2528 11.2896 11.2896 11.7672 11.7672 12.6226 12.6226 k =-0.0069 0.0208 1.5817 ( 2688 PWs) bands (ev): 0.2850 0.2850 0.4030 0.4030 0.8692 0.8692 1.2779 1.2779 1.7396 1.7396 6.9869 6.9869 7.1033 7.1033 7.5977 7.5977 8.6088 8.6088 8.7472 8.7472 11.2589 11.2589 11.2884 11.2884 11.7672 11.7672 12.6234 12.6234 k =-0.0139 0.0416 1.5817 ( 2696 PWs) bands (ev): 0.2860 0.2860 0.4033 0.4033 0.8699 0.8699 1.2778 1.2778 1.7372 1.7372 6.9878 6.9878 7.1070 7.1070 7.6025 7.6025 8.5861 8.5861 8.7450 8.7450 11.2767 11.2767 11.2851 11.2851 11.7673 11.7673 12.6259 12.6259 k =-0.0208 0.0625 1.5817 ( 2694 PWs) bands (ev): 0.2877 0.2877 0.4040 0.4040 0.8712 0.8712 1.2776 1.2776 1.7334 1.7334 6.9891 6.9891 7.1130 7.1130 7.6103 7.6103 8.5495 8.5495 8.7413 8.7413 11.2788 11.2788 11.3058 11.3058 11.7674 11.7674 12.6301 12.6301 k =-0.0278 0.0833 1.5817 ( 2690 PWs) bands (ev): 0.2903 0.2903 0.4050 0.4050 0.8730 0.8730 1.2774 1.2774 1.7280 1.7280 6.9906 6.9906 7.1214 7.1214 7.6213 7.6213 8.5008 8.5008 8.7363 8.7363 11.2704 11.2704 11.3435 11.3435 11.7676 11.7676 12.6357 12.6357 k =-0.0278 0.0833 1.5817 ( 2690 PWs) bands (ev): 0.2903 0.2903 0.4050 0.4050 0.8730 0.8730 1.2774 1.2774 1.7280 1.7280 6.9906 6.9906 7.1214 7.1214 7.6213 7.6213 8.5008 8.5008 8.7363 8.7363 11.2704 11.2704 11.3435 11.3435 11.7676 11.7676 12.6357 12.6357 k =-0.0327 0.0981 1.5662 ( 2690 PWs) bands (ev): 0.2926 0.2926 0.4059 0.4059 0.8746 0.8746 1.2772 1.2772 1.7229 1.7229 6.9898 6.9898 7.1296 7.1296 7.6318 7.6318 8.4609 8.4609 8.7322 8.7322 11.2503 11.2503 11.3838 11.3838 11.7651 11.7651 12.6413 12.6413 k =-0.0376 0.1128 1.5506 ( 2690 PWs) bands (ev): 0.2956 0.2956 0.4070 0.4070 0.8767 0.8767 1.2769 1.2769 1.7163 1.7163 6.9857 6.9857 7.1407 7.1407 7.6455 7.6455 8.4182 8.4182 8.7282 8.7282 11.2178 11.2178 11.4310 11.4310 11.7578 11.7578 12.6488 12.6488 k =-0.0425 0.1276 1.5351 ( 2692 PWs) bands (ev): 0.2992 0.2992 0.4083 0.4083 0.8793 0.8793 1.2765 1.2765 1.7082 1.7082 6.9783 6.9783 7.1547 7.1547 7.6622 7.6622 8.3735 8.3735 8.7241 8.7241 11.1797 11.1797 11.4776 11.4776 11.7464 11.7464 12.6571 12.6571 k =-0.0474 0.1424 1.5195 ( 2692 PWs) bands (ev): 0.3035 0.3035 0.4099 0.4099 0.8824 0.8824 1.2760 1.2760 1.6987 1.6987 6.9676 6.9676 7.1716 7.1716 7.6818 7.6818 8.3274 8.3274 8.7199 8.7199 11.1374 11.1374 11.5216 11.5216 11.7317 11.7317 12.6652 12.6652 k =-0.0524 0.1571 1.5039 ( 2688 PWs) bands (ev): 0.3084 0.3084 0.4117 0.4117 0.8860 0.8860 1.2754 1.2754 1.6880 1.6880 6.9537 6.9537 7.1912 7.1912 7.7040 7.7040 8.2805 8.2805 8.7154 8.7154 11.0917 11.0917 11.5610 11.5610 11.7150 11.7150 12.6718 12.6718 k =-0.0573 0.1719 1.4884 ( 2688 PWs) bands (ev): 0.3138 0.3138 0.4136 0.4136 0.8900 0.8900 1.2747 1.2747 1.6760 1.6760 6.9367 6.9367 7.2135 7.2135 7.7287 7.7287 8.2336 8.2336 8.7106 8.7106 11.0432 11.0432 11.5937 11.5937 11.6982 11.6982 12.6751 12.6751 k =-0.0622 0.1866 1.4728 ( 2686 PWs) bands (ev): 0.3198 0.3198 0.4158 0.4158 0.8946 0.8946 1.2739 1.2739 1.6627 1.6627 6.9166 6.9166 7.2386 7.2386 7.7558 7.7558 8.1869 8.1869 8.7052 8.7052 10.9926 10.9926 11.6151 11.6151 11.6853 11.6853 12.6733 12.6733 k =-0.0671 0.2014 1.4572 ( 2686 PWs) bands (ev): 0.3262 0.3262 0.4181 0.4181 0.8996 0.8996 1.2730 1.2730 1.6484 1.6484 6.8935 6.8935 7.2662 7.2662 7.7850 7.7850 8.1409 8.1409 8.6992 8.6992 10.9405 10.9405 11.6180 11.6180 11.6831 11.6831 12.6635 12.6635 k =-0.0720 0.2162 1.4417 ( 2684 PWs) bands (ev): 0.3331 0.3331 0.4206 0.4206 0.9050 0.9050 1.2719 1.2719 1.6332 1.6332 6.8676 6.8676 7.2965 7.2965 7.8160 7.8160 8.0961 8.0961 8.6923 8.6923 10.8874 10.8874 11.6052 11.6052 11.6884 11.6884 12.6422 12.6422 k =-0.0769 0.2309 1.4261 ( 2684 PWs) bands (ev): 0.3403 0.3403 0.4232 0.4232 0.9109 0.9109 1.2706 1.2706 1.6170 1.6170 6.8390 6.8390 7.3293 7.3293 7.8485 7.8485 8.0528 8.0528 8.6845 8.6845 10.8339 10.8339 11.5865 11.5865 11.6913 11.6913 12.6051 12.6051 k =-0.0819 0.2457 1.4106 ( 2682 PWs) bands (ev): 0.3477 0.3477 0.4259 0.4259 0.9172 0.9172 1.2691 1.2691 1.6002 1.6002 6.8079 6.8079 7.3645 7.3645 7.8815 7.8815 8.0120 8.0120 8.6755 8.6755 10.7804 10.7804 11.5662 11.5662 11.6872 11.6872 12.5478 12.5478 k =-0.0868 0.2605 1.3950 ( 2676 PWs) bands (ev): 0.3554 0.3554 0.4289 0.4289 0.9239 0.9239 1.2675 1.2675 1.5828 1.5828 6.7745 6.7745 7.4020 7.4020 7.9097 7.9097 7.9789 7.9789 8.6653 8.6653 10.7273 10.7273 11.5459 11.5459 11.6748 11.6748 12.4685 12.4685 k =-0.0917 0.2752 1.3794 ( 2670 PWs) bands (ev): 0.3633 0.3633 0.4319 0.4319 0.9310 0.9310 1.2655 1.2655 1.5651 1.5651 6.7390 6.7390 7.4418 7.4418 7.9067 7.9067 7.9797 7.9797 8.6536 8.6536 10.6749 10.6749 11.5260 11.5260 11.6542 11.6542 12.3693 12.3693 k =-0.0966 0.2900 1.3639 ( 2674 PWs) bands (ev): 0.3710 0.3710 0.4350 0.4350 0.9384 0.9384 1.2632 1.2632 1.5470 1.5470 6.7016 6.7016 7.4836 7.4836 7.8745 7.8745 8.0123 8.0123 8.6403 8.6403 10.6232 10.6232 11.5064 11.5064 11.6258 11.6258 12.2554 12.2554 k =-0.1015 0.3048 1.3483 ( 2668 PWs) bands (ev): 0.3787 0.3787 0.4384 0.4384 0.9462 0.9462 1.2607 1.2607 1.5291 1.5291 6.6627 6.6627 7.5274 7.5274 7.8373 7.8373 8.0521 8.0521 8.6253 8.6253 10.5724 10.5724 11.4865 11.4865 11.5910 11.5910 12.1331 12.1331 k =-0.1065 0.3195 1.3328 ( 2669 PWs) bands (ev): 0.3860 0.3860 0.4420 0.4420 0.9542 0.9542 1.2577 1.2577 1.5113 1.5113 6.6225 6.6225 7.5729 7.5729 7.7995 7.7995 8.0948 8.0948 8.6085 8.6085 10.5223 10.5223 11.4644 11.4644 11.5516 11.5516 12.0082 12.0082 k =-0.1114 0.3343 1.3172 ( 2671 PWs) bands (ev): 0.3930 0.3930 0.4457 0.4457 0.9624 0.9624 1.2543 1.2543 1.4939 1.4939 6.5813 6.5813 7.6195 7.6195 7.7621 7.7621 8.1393 8.1393 8.5899 8.5899 10.4728 10.4728 11.4368 11.4368 11.5099 11.5099 11.8867 11.8867 k =-0.1163 0.3490 1.3016 ( 2671 PWs) bands (ev): 0.3995 0.3995 0.4497 0.4497 0.9708 0.9708 1.2504 1.2504 1.4772 1.4772 6.5393 6.5393 7.6641 7.6641 7.7282 7.7282 8.1854 8.1854 8.5694 8.5694 10.4236 10.4236 11.3988 11.3988 11.4667 11.4667 11.7766 11.7766 k =-0.1212 0.3638 1.2861 ( 2667 PWs) bands (ev): 0.4054 0.4054 0.4540 0.4540 0.9794 0.9794 1.2460 1.2460 1.4615 1.4615 6.4968 6.4968 7.6723 7.6723 7.7319 7.7319 8.2328 8.2328 8.5472 8.5472 10.3742 10.3742 11.3468 11.3468 11.4182 11.4182 11.6888 11.6888 k =-0.1261 0.3786 1.2705 ( 2671 PWs) bands (ev): 0.4106 0.4106 0.4583 0.4583 0.9879 0.9879 1.2411 1.2411 1.4468 1.4468 6.4540 6.4540 7.6387 7.6387 7.7782 7.7782 8.2814 8.2814 8.5232 8.5232 10.3243 10.3243 11.2763 11.2763 11.3631 11.3631 11.6319 11.6319 k =-0.1311 0.3933 1.2549 ( 2672 PWs) bands (ev): 0.4151 0.4151 0.4627 0.4627 0.9964 0.9964 1.2357 1.2357 1.4334 1.4334 6.4112 6.4112 7.6005 7.6005 7.8297 7.8297 8.3310 8.3310 8.4977 8.4977 10.2734 10.2734 11.1847 11.1847 11.3097 11.3097 11.6021 11.6021 k =-0.1360 0.4081 1.2394 ( 2670 PWs) bands (ev): 0.4190 0.4190 0.4671 0.4671 1.0047 1.0047 1.2300 1.2300 1.4215 1.4215 6.3684 6.3684 7.5613 7.5613 7.8823 7.8823 8.3812 8.3812 8.4711 8.4711 10.2211 10.2211 11.0795 11.0795 11.2628 11.2628 11.5894 11.5894 k =-0.1409 0.4229 1.2238 ( 2672 PWs) bands (ev): 0.4223 0.4223 0.4711 0.4711 1.0128 1.0128 1.2240 1.2240 1.4111 1.4111 6.3259 6.3259 7.5215 7.5215 7.9349 7.9349 8.4286 8.4286 8.4474 8.4474 10.1672 10.1672 10.9692 10.9692 11.2224 11.2224 11.5864 11.5864 k =-0.1458 0.4376 1.2083 ( 2668 PWs) bands (ev): 0.4251 0.4251 0.4748 0.4748 1.0206 1.0206 1.2181 1.2181 1.4023 1.4023 6.2839 6.2839 7.4814 7.4814 7.9866 7.9866 8.4142 8.4142 8.4859 8.4859 10.1116 10.1116 10.8587 10.8587 11.1884 11.1884 11.5893 11.5893 k =-0.1507 0.4524 1.1927 ( 2670 PWs) bands (ev): 0.4273 0.4273 0.4777 0.4777 1.0279 1.0279 1.2124 1.2124 1.3950 1.3950 6.2424 6.2424 7.4411 7.4411 8.0356 8.0356 8.3887 8.3887 8.5376 8.5376 10.0544 10.0544 10.7507 10.7507 11.1607 11.1607 11.5958 11.5958 k =-0.1557 0.4672 1.1771 ( 2668 PWs) bands (ev): 0.4292 0.4292 0.4800 0.4800 1.0348 1.0348 1.2071 1.2071 1.3891 1.3891 6.2017 6.2017 7.4008 7.4008 8.0791 8.0791 8.3672 8.3672 8.5896 8.5896 9.9960 9.9960 10.6465 10.6465 11.1395 11.1395 11.6044 11.6044 k =-0.1606 0.4819 1.1616 ( 2670 PWs) bands (ev): 0.4308 0.4308 0.4813 0.4813 1.0410 1.0410 1.2026 1.2026 1.3845 1.3845 6.1618 6.1618 7.3606 7.3606 8.1118 8.1118 8.3551 8.3551 8.6415 8.6415 9.9368 9.9368 10.5472 10.5472 11.1243 11.1243 11.6140 11.6140 k =-0.1655 0.4967 1.1460 ( 2673 PWs) bands (ev): 0.4320 0.4320 0.4816 0.4816 1.0466 1.0466 1.1989 1.1989 1.3811 1.3811 6.1228 6.1228 7.3208 7.3208 8.1268 8.1268 8.3592 8.3592 8.6929 8.6929 9.8777 9.8777 10.4534 10.4534 11.1149 11.1149 11.6236 11.6236 k =-0.1704 0.5115 1.1304 ( 2671 PWs) bands (ev): 0.4330 0.4330 0.4809 0.4809 1.0516 1.0516 1.1963 1.1963 1.3788 1.3788 6.0849 6.0849 7.2815 7.2815 8.1219 8.1219 8.3818 8.3818 8.7432 8.7432 9.8194 9.8194 10.3657 10.3657 11.1106 11.1106 11.6323 11.6323 k =-0.1753 0.5262 1.1149 ( 2677 PWs) bands (ev): 0.4338 0.4338 0.4791 0.4791 1.0560 1.0560 1.1947 1.1947 1.3775 1.3775 6.0481 6.0481 7.2429 7.2429 8.1021 8.1021 8.4176 8.4176 8.7920 8.7920 9.7628 9.7628 10.2844 10.2844 11.1109 11.1109 11.6395 11.6395 k =-0.1803 0.5410 1.0993 ( 2677 PWs) bands (ev): 0.4344 0.4344 0.4764 0.4764 1.0600 1.0600 1.1941 1.1941 1.3771 1.3771 6.0126 6.0126 7.2053 7.2053 8.0739 8.0739 8.4600 8.4600 8.8385 8.8385 9.7089 9.7089 10.2098 10.2098 11.1150 11.1150 11.6443 11.6443 k =-0.1852 0.5557 1.0838 ( 2679 PWs) bands (ev): 0.4348 0.4348 0.4728 0.4728 1.0637 1.0637 1.1942 1.1942 1.3774 1.3774 5.9783 5.9783 7.1688 7.1688 8.0413 8.0413 8.5048 8.5048 8.8820 8.8820 9.6590 9.6590 10.1422 10.1422 11.1223 11.1223 11.6463 11.6463 k =-0.1901 0.5705 1.0682 ( 2677 PWs) bands (ev): 0.4351 0.4351 0.4684 0.4684 1.0672 1.0672 1.1950 1.1950 1.3783 1.3783 5.9455 5.9455 7.1336 7.1336 8.0067 8.0067 8.5495 8.5495 8.9213 8.9213 9.6143 9.6143 10.0820 10.0820 11.1322 11.1322 11.6451 11.6451 k =-0.1950 0.5853 1.0526 ( 2677 PWs) bands (ev): 0.4352 0.4352 0.4634 0.4634 1.0706 1.0706 1.1964 1.1964 1.3799 1.3799 5.9142 5.9142 7.0999 7.0999 7.9714 7.9714 8.5926 8.5926 8.9552 8.9552 9.5761 9.5761 10.0293 10.0293 11.1439 11.1439 11.6405 11.6405 k =-0.1999 0.6000 1.0371 ( 2676 PWs) bands (ev): 0.4352 0.4352 0.4578 0.4578 1.0739 1.0739 1.1980 1.1980 1.3819 1.3819 5.8845 5.8845 7.0678 7.0678 7.9362 7.9362 8.6330 8.6330 8.9823 8.9823 9.5462 9.5462 9.9842 9.9842 11.1570 11.1570 11.6325 11.6325 k =-0.2048 0.6148 1.0215 ( 2676 PWs) bands (ev): 0.4349 0.4349 0.4520 0.4520 1.0772 1.0772 1.1998 1.1998 1.3843 1.3843 5.8565 5.8565 7.0376 7.0376 7.9018 7.9018 8.6700 8.6700 9.0013 9.0013 9.5256 9.5256 9.9467 9.9467 11.1709 11.1709 11.6214 11.6214 k =-0.2098 0.6296 1.0060 ( 2676 PWs) bands (ev): 0.4342 0.4342 0.4463 0.4463 1.0806 1.0806 1.2017 1.2017 1.3870 1.3870 5.8302 5.8302 7.0094 7.0094 7.8686 7.8686 8.7030 8.7030 9.0114 9.0114 9.5151 9.5151 9.9168 9.9168 11.1851 11.1851 11.6075 11.6075 k =-0.2147 0.6443 0.9904 ( 2674 PWs) bands (ev): 0.4326 0.4326 0.4415 0.4415 1.0839 1.0839 1.2035 1.2035 1.3898 1.3898 5.8059 5.8059 6.9832 6.9832 7.8371 7.8371 8.7317 8.7317 9.0132 9.0132 9.5141 9.5141 9.8941 9.8941 11.1991 11.1991 11.5914 11.5914 k =-0.2196 0.6591 0.9748 ( 2672 PWs) bands (ev): 0.4291 0.4291 0.4386 0.4386 1.0872 1.0872 1.2053 1.2053 1.3928 1.3928 5.7835 5.7835 6.9592 6.9592 7.8076 7.8076 8.7559 8.7559 9.0079 9.0079 9.5210 9.5210 9.8782 9.8782 11.2126 11.2126 11.5736 11.5736 k =-0.2245 0.6739 0.9593 ( 2672 PWs) bands (ev): 0.4242 0.4242 0.4373 0.4373 1.0903 1.0903 1.2068 1.2068 1.3957 1.3957 5.7633 5.7633 6.9375 6.9375 7.7803 7.7803 8.7758 8.7758 8.9978 8.9978 9.5337 9.5337 9.8682 9.8682 11.2252 11.2252 11.5549 11.5549 k =-0.2294 0.6886 0.9437 ( 2672 PWs) bands (ev): 0.4190 0.4190 0.4367 0.4367 1.0933 1.0933 1.2082 1.2082 1.3985 1.3985 5.7451 5.7451 6.9182 6.9182 7.7557 7.7557 8.7916 8.7916 8.9849 8.9849 9.5497 9.5497 9.8634 9.8634 11.2368 11.2368 11.5360 11.5360 k =-0.2344 0.7034 0.9281 ( 2666 PWs) bands (ev): 0.4141 0.4141 0.4363 0.4363 1.0961 1.0961 1.2095 1.2095 1.4012 1.4012 5.7293 5.7293 6.9013 6.9013 7.7339 7.7339 8.8038 8.8038 8.9709 8.9709 9.5670 9.5670 9.8625 9.8625 11.2470 11.2470 11.5177 11.5177 k =-0.2393 0.7181 0.9126 ( 2666 PWs) bands (ev): 0.4097 0.4097 0.4361 0.4361 1.0985 1.0985 1.2105 1.2105 1.4035 1.4035 5.7157 5.7157 6.8870 6.8870 7.7151 7.7151 8.8128 8.8128 8.9573 8.9573 9.5839 9.5839 9.8644 9.8644 11.2558 11.2558 11.5006 11.5006 k =-0.2442 0.7329 0.8970 ( 2668 PWs) bands (ev): 0.4059 0.4059 0.4358 0.4358 1.1005 1.1005 1.2114 1.2114 1.4055 1.4055 5.7045 5.7045 6.8752 6.8752 7.6995 7.6995 8.8193 8.8193 8.9452 8.9452 9.5993 9.5993 9.8679 9.8679 11.2631 11.2631 11.4855 11.4855 k =-0.2491 0.7477 0.8815 ( 2666 PWs) bands (ev): 0.4030 0.4030 0.4357 0.4357 1.1022 1.1022 1.2120 1.2120 1.4072 1.4072 5.6957 5.6957 6.8659 6.8659 7.6872 7.6872 8.8237 8.8237 8.9351 8.9351 9.6121 9.6121 9.8720 9.8720 11.2688 11.2688 11.4730 11.4730 k =-0.2540 0.7624 0.8659 ( 2668 PWs) bands (ev): 0.4007 0.4007 0.4355 0.4355 1.1035 1.1035 1.2124 1.2124 1.4083 1.4083 5.6894 5.6894 6.8593 6.8593 7.6784 7.6784 8.8266 8.8266 8.9276 8.9276 9.6217 9.6217 9.8756 9.8756 11.2729 11.2729 11.4637 11.4637 k =-0.2590 0.7772 0.8503 ( 2667 PWs) bands (ev): 0.3994 0.3994 0.4354 0.4354 1.1042 1.1042 1.2127 1.2127 1.4091 1.4091 5.6856 5.6856 6.8554 6.8554 7.6730 7.6730 8.8281 8.8281 8.9230 8.9230 9.6277 9.6277 9.8780 9.8780 11.2753 11.2753 11.4579 11.4579 k =-0.2639 0.7920 0.8348 ( 2667 PWs) bands (ev): 0.3990 0.3990 0.4354 0.4354 1.1044 1.1044 1.2128 1.2128 1.4093 1.4093 5.6843 5.6843 6.8540 6.8540 7.6712 7.6712 8.8286 8.8286 8.9214 8.9214 9.6297 9.6297 9.8789 9.8789 11.2761 11.2761 11.4560 11.4560 k =-0.2639 0.7920 0.8348 ( 2667 PWs) bands (ev): 0.3990 0.3990 0.4354 0.4354 1.1044 1.1044 1.2128 1.2128 1.4093 1.4093 5.6843 5.6843 6.8540 6.8540 7.6712 7.6712 8.8286 8.8286 8.9214 8.9214 9.6297 9.6297 9.8789 9.8789 11.2761 11.2761 11.4560 11.4560 k =-0.2589 0.7770 0.8190 ( 2663 PWs) bands (ev): 0.3994 0.3994 0.4347 0.4347 1.1038 1.1038 1.2135 1.2135 1.4104 1.4104 5.7782 5.7782 6.7168 6.7168 7.6813 7.6813 8.8827 8.8827 8.9354 8.9354 9.6603 9.6603 9.8425 9.8425 11.2661 11.2661 11.4451 11.4451 k =-0.2539 0.7621 0.8033 ( 2659 PWs) bands (ev): 0.3996 0.3996 0.4345 0.4345 1.1035 1.1035 1.2141 1.2141 1.4111 1.4111 5.8638 5.8638 6.5868 6.5868 7.6873 7.6873 8.9382 8.9382 8.9507 8.9507 9.6919 9.6919 9.8048 9.8048 11.2587 11.2587 11.4367 11.4367 k =-0.2489 0.7471 0.7875 ( 2661 PWs) bands (ev): 0.3996 0.3996 0.4347 0.4347 1.1034 1.1034 1.2143 1.2143 1.4113 1.4113 5.9324 5.9324 6.4725 6.4725 7.6903 7.6903 8.9658 8.9658 8.9955 8.9955 9.7241 9.7241 9.7661 9.7661 11.2541 11.2541 11.4308 11.4308 k =-0.2440 0.7322 0.7718 ( 2661 PWs) bands (ev): 0.3996 0.3996 0.4355 0.4355 1.1037 1.1037 1.2143 1.2143 1.4111 1.4111 5.9642 5.9642 6.3939 6.3939 7.6909 7.6909 8.9833 8.9833 9.0510 9.0510 9.7265 9.7265 9.7568 9.7568 11.2522 11.2522 11.4273 11.4273 k =-0.2390 0.7173 0.7560 ( 2655 PWs) bands (ev): 0.3995 0.3995 0.4368 0.4368 1.1045 1.1045 1.2142 1.2142 1.4105 1.4105 5.9329 5.9329 6.3768 6.3768 7.6896 7.6896 9.0025 9.0025 9.1046 9.1046 9.6865 9.6865 9.7894 9.7894 11.2531 11.2531 11.4261 11.4261 k =-0.2340 0.7023 0.7403 ( 2659 PWs) bands (ev): 0.3991 0.3991 0.4385 0.4385 1.1055 1.1055 1.2137 1.2137 1.4094 1.4094 5.8455 5.8455 6.4143 6.4143 7.6867 7.6867 9.0237 9.0237 9.1554 9.1554 9.6463 9.6463 9.8219 9.8219 11.2569 11.2569 11.4273 11.4273 k =-0.2290 0.6874 0.7245 ( 2657 PWs) bands (ev): 0.3987 0.3987 0.4408 0.4408 1.1069 1.1069 1.2131 1.2131 1.4079 1.4079 5.7308 5.7308 6.4773 6.4773 7.6825 7.6825 9.0472 9.0472 9.2025 9.2025 9.6063 9.6063 9.8539 9.8539 11.2634 11.2634 11.4306 11.4306 k =-0.2240 0.6724 0.7088 ( 2669 PWs) bands (ev): 0.3981 0.3981 0.4433 0.4433 1.1084 1.1084 1.2121 1.2121 1.4060 1.4060 5.6052 5.6052 6.5492 6.5492 7.6770 7.6770 9.0731 9.0731 9.2451 9.2451 9.5668 9.5668 9.8852 9.8852 11.2727 11.2727 11.4359 11.4359 k =-0.2191 0.6575 0.6930 ( 2673 PWs) bands (ev): 0.3974 0.3974 0.4463 0.4463 1.1104 1.1104 1.2110 1.2110 1.4037 1.4037 5.4755 5.4755 6.6231 6.6231 7.6703 7.6703 9.1014 9.1014 9.2825 9.2825 9.5283 9.5283 9.9156 9.9156 11.2849 11.2849 11.4433 11.4433 k =-0.2141 0.6425 0.6773 ( 2671 PWs) bands (ev): 0.3966 0.3966 0.4498 0.4498 1.1127 1.1127 1.2096 1.2096 1.4012 1.4012 5.3447 5.3447 6.6960 6.6960 7.6623 7.6623 9.1323 9.1323 9.3140 9.3140 9.4913 9.4913 9.9446 9.9446 11.2997 11.2997 11.4525 11.4525 k =-0.2091 0.6276 0.6615 ( 2671 PWs) bands (ev): 0.3956 0.3956 0.4536 0.4536 1.1153 1.1153 1.2079 1.2079 1.3984 1.3984 5.2141 5.2141 6.7662 6.7662 7.6528 7.6528 9.1658 9.1658 9.3388 9.3388 9.4568 9.4568 9.9720 9.9720 11.3173 11.3173 11.4634 11.4634 k =-0.2041 0.6127 0.6458 ( 2675 PWs) bands (ev): 0.3945 0.3945 0.4578 0.4578 1.1181 1.1181 1.2060 1.2060 1.3953 1.3953 5.0845 5.0845 6.8331 6.8331 7.6416 7.6416 9.2017 9.2017 9.3547 9.3547 9.4271 9.4271 9.9975 9.9975 11.3376 11.3376 11.4759 11.4759 k =-0.1992 0.5977 0.6300 ( 2675 PWs) bands (ev): 0.3932 0.3932 0.4622 0.4622 1.1211 1.1211 1.2038 1.2038 1.3922 1.3922 4.9565 4.9565 6.8959 6.8959 7.6285 7.6285 9.2399 9.2399 9.3556 9.3556 9.4086 9.4086 10.0207 10.0207 11.3604 11.3604 11.4897 11.4897 k =-0.1942 0.5828 0.6143 ( 2669 PWs) bands (ev): 0.3918 0.3918 0.4669 0.4669 1.1244 1.1244 1.2014 1.2014 1.3890 1.3890 4.8304 4.8304 6.9545 6.9545 7.6132 7.6132 9.2799 9.2799 9.3389 9.3389 9.4045 9.4045 10.0413 10.0413 11.3858 11.3858 11.5046 11.5046 k =-0.1892 0.5678 0.5985 ( 2669 PWs) bands (ev): 0.3903 0.3903 0.4717 0.4717 1.1278 1.1278 1.1986 1.1986 1.3858 1.3858 4.7064 4.7064 7.0087 7.0087 7.5954 7.5954 9.3096 9.3096 9.3275 9.3275 9.4043 9.4043 10.0590 10.0590 11.4137 11.4137 11.5205 11.5205 k =-0.1842 0.5529 0.5828 ( 2677 PWs) bands (ev): 0.3885 0.3885 0.4766 0.4766 1.1313 1.1313 1.1955 1.1955 1.3826 1.3826 4.5847 4.5847 7.0584 7.0584 7.5749 7.5749 9.2887 9.2887 9.3663 9.3663 9.4035 9.4035 10.0733 10.0733 11.4440 11.4440 11.5371 11.5371 k =-0.1792 0.5379 0.5670 ( 2677 PWs) bands (ev): 0.3866 0.3866 0.4816 0.4816 1.1349 1.1349 1.1922 1.1922 1.3797 1.3797 4.4656 4.4656 7.1037 7.1037 7.5514 7.5514 9.2653 9.2653 9.3894 9.3894 9.4203 9.4203 10.0840 10.0840 11.4764 11.4764 11.5543 11.5543 k =-0.1743 0.5230 0.5513 ( 2673 PWs) bands (ev): 0.3846 0.3846 0.4866 0.4866 1.1385 1.1385 1.1886 1.1886 1.3771 1.3771 4.3491 4.3491 7.1445 7.1445 7.5248 7.5248 9.2422 9.2422 9.3845 9.3845 9.4644 9.4644 10.0908 10.0908 11.5110 11.5110 11.5718 11.5718 k =-0.1693 0.5081 0.5355 ( 2665 PWs) bands (ev): 0.3825 0.3825 0.4915 0.4915 1.1421 1.1421 1.1849 1.1849 1.3749 1.3749 4.2353 4.2353 7.1811 7.1811 7.4949 7.4949 9.2186 9.2186 9.3765 9.3765 9.5118 9.5118 10.0936 10.0936 11.5473 11.5473 11.5896 11.5896 k =-0.1643 0.4931 0.5198 ( 2663 PWs) bands (ev): 0.3801 0.3801 0.4961 0.4961 1.1455 1.1455 1.1810 1.1810 1.3731 1.3731 4.1244 4.1244 7.2134 7.2134 7.4617 7.4617 9.1932 9.1932 9.3695 9.3695 9.5602 9.5602 10.0923 10.0923 11.5841 11.5841 11.6086 11.6086 k =-0.1593 0.4782 0.5040 ( 2679 PWs) bands (ev): 0.3775 0.3775 0.5003 0.5003 1.1486 1.1486 1.1768 1.1768 1.3718 1.3718 4.0163 4.0163 7.2418 7.2418 7.4253 7.4253 9.1647 9.1647 9.3655 9.3655 9.6090 9.6090 10.0871 10.0871 11.6144 11.6144 11.6354 11.6354 k =-0.1543 0.4632 0.4883 ( 2679 PWs) bands (ev): 0.3748 0.3748 0.5043 0.5043 1.1514 1.1514 1.1729 1.1729 1.3711 1.3711 3.9113 3.9113 7.2660 7.2660 7.3858 7.3858 9.1321 9.1321 9.3660 9.3660 9.6574 9.6574 10.0783 10.0783 11.6335 11.6335 11.6744 11.6744 k =-0.1494 0.4483 0.4725 ( 2685 PWs) bands (ev): 0.3719 0.3719 0.5078 0.5078 1.1534 1.1534 1.1694 1.1694 1.3710 1.3710 3.8093 3.8093 7.2857 7.2857 7.3443 7.3443 9.0953 9.0953 9.3718 9.3718 9.7047 9.7047 10.0666 10.0666 11.6489 11.6489 11.7177 11.7177 k =-0.1444 0.4333 0.4568 ( 2681 PWs) bands (ev): 0.3689 0.3689 0.5108 0.5108 1.1543 1.1543 1.1671 1.1671 1.3718 1.3718 3.7105 3.7105 7.2870 7.2870 7.3147 7.3147 9.0545 9.0545 9.3828 9.3828 9.7495 9.7495 10.0536 10.0536 11.6627 11.6627 11.7630 11.7630 k =-0.1394 0.4184 0.4410 ( 2685 PWs) bands (ev): 0.3657 0.3657 0.5131 0.5131 1.1532 1.1532 1.1665 1.1665 1.3731 1.3731 3.6148 3.6148 7.2447 7.2447 7.3229 7.3229 9.0102 9.0102 9.3989 9.3989 9.7895 9.7895 10.0420 10.0420 11.6749 11.6749 11.8097 11.8097 k =-0.1344 0.4035 0.4253 ( 2691 PWs) bands (ev): 0.3622 0.3622 0.5147 0.5147 1.1506 1.1506 1.1673 1.1673 1.3752 1.3752 3.5224 3.5224 7.1947 7.1947 7.3334 7.3334 8.9632 8.9632 9.4197 9.4197 9.8199 9.8199 10.0366 10.0366 11.6856 11.6856 11.8576 11.8576 k =-0.1294 0.3885 0.4095 ( 2683 PWs) bands (ev): 0.3588 0.3588 0.5157 0.5157 1.1477 1.1477 1.1687 1.1687 1.3780 1.3780 3.4332 3.4332 7.1420 7.1420 7.3415 7.3415 8.9142 8.9142 9.4448 9.4448 9.8346 9.8346 10.0442 10.0442 11.6948 11.6948 11.9065 11.9065 k =-0.1245 0.3736 0.3938 ( 2679 PWs) bands (ev): 0.3550 0.3550 0.5158 0.5158 1.1447 1.1447 1.1702 1.1702 1.3815 1.3815 3.3473 3.3473 7.0875 7.0875 7.3471 7.3471 8.8637 8.8637 9.4736 9.4736 9.8307 9.8307 10.0681 10.0681 11.7025 11.7025 11.9561 11.9561 k =-0.1195 0.3586 0.3780 ( 2685 PWs) bands (ev): 0.3511 0.3511 0.5151 0.5151 1.1420 1.1420 1.1714 1.1714 1.3854 1.3854 3.2648 3.2648 7.0315 7.0315 7.3502 7.3502 8.8124 8.8124 9.5058 9.5058 9.8124 9.8124 10.1046 10.1046 11.7087 11.7087 12.0062 12.0062 k =-0.1145 0.3437 0.3623 ( 2689 PWs) bands (ev): 0.3469 0.3469 0.5135 0.5135 1.1398 1.1398 1.1726 1.1726 1.3900 1.3900 3.1856 3.1856 6.9745 6.9745 7.3510 7.3510 8.7607 8.7607 9.5408 9.5408 9.7853 9.7853 10.1486 10.1486 11.7135 11.7135 12.0566 12.0566 k =-0.1095 0.3287 0.3465 ( 2689 PWs) bands (ev): 0.3427 0.3427 0.5112 0.5112 1.1381 1.1381 1.1736 1.1736 1.3950 1.3950 3.1097 3.1097 6.9169 6.9169 7.3495 7.3495 8.7091 8.7091 9.5784 9.5784 9.7535 9.7535 10.1967 10.1967 11.7169 11.7169 12.1069 12.1070 k =-0.1046 0.3138 0.3308 ( 2689 PWs) bands (ev): 0.3382 0.3382 0.5081 0.5081 1.1369 1.1369 1.1744 1.1744 1.4005 1.4005 3.0373 3.0373 6.8589 6.8589 7.3460 7.3460 8.6580 8.6580 9.6179 9.6179 9.7192 9.7192 10.2471 10.2471 11.7191 11.7191 12.1570 12.1570 k =-0.0996 0.2989 0.3150 ( 2689 PWs) bands (ev): 0.3335 0.3335 0.5043 0.5043 1.1363 1.1363 1.1751 1.1751 1.4063 1.4063 2.9682 2.9682 6.8010 6.8010 7.3407 7.3407 8.6078 8.6078 9.6569 9.6569 9.6859 9.6859 10.2990 10.2990 11.7202 11.7202 12.2061 12.2061 k =-0.0946 0.2839 0.2993 ( 2687 PWs) bands (ev): 0.3286 0.3286 0.4999 0.4999 1.1363 1.1363 1.1757 1.1757 1.4124 1.4124 2.9026 2.9026 6.7436 6.7436 7.3337 7.3337 8.5588 8.5588 9.6445 9.6445 9.7051 9.7051 10.3517 10.3517 11.7203 11.7203 12.2525 12.2525 k =-0.0896 0.2690 0.2835 ( 2687 PWs) bands (ev): 0.3236 0.3236 0.4950 0.4950 1.1368 1.1368 1.1762 1.1762 1.4187 1.4187 2.8403 2.8403 6.6869 6.6869 7.3253 7.3253 8.5112 8.5112 9.6093 9.6093 9.7484 9.7484 10.4050 10.4050 11.7195 11.7195 12.2718 12.2718 k =-0.0846 0.2540 0.2678 ( 2679 PWs) bands (ev): 0.3185 0.3185 0.4897 0.4897 1.1377 1.1377 1.1768 1.1768 1.4251 1.4251 2.7815 2.7815 6.6312 6.6312 7.3156 7.3156 8.4652 8.4652 9.5743 9.5743 9.7931 9.7931 10.4584 10.4584 11.7180 11.7180 12.2270 12.2270 k =-0.0797 0.2391 0.2520 ( 2673 PWs) bands (ev): 0.3131 0.3131 0.4841 0.4841 1.1390 1.1390 1.1774 1.1774 1.4316 1.4316 2.7261 2.7261 6.5770 6.5770 7.3048 7.3048 8.4212 8.4212 9.5403 9.5403 9.8383 9.8383 10.5118 10.5118 11.7158 11.7158 12.1755 12.1755 k =-0.0747 0.2241 0.2363 ( 2669 PWs) bands (ev): 0.3076 0.3076 0.4784 0.4784 1.1405 1.1405 1.1781 1.1781 1.4380 1.4380 2.6741 2.6741 6.5245 6.5245 7.2933 7.2933 8.3792 8.3792 9.5077 9.5077 9.8836 9.8836 10.5650 10.5650 11.7132 11.7132 12.1246 12.1247 k =-0.0697 0.2092 0.2205 ( 2673 PWs) bands (ev): 0.3020 0.3020 0.4725 0.4725 1.1421 1.1421 1.1788 1.1788 1.4442 1.4442 2.6255 2.6255 6.4740 6.4740 7.2812 7.2812 8.3394 8.3394 9.4768 9.4768 9.9287 9.9287 10.6176 10.6176 11.7101 11.7101 12.0755 12.0755 k =-0.0647 0.1943 0.2048 ( 2673 PWs) bands (ev): 0.2963 0.2963 0.4668 0.4668 1.1438 1.1438 1.1797 1.1797 1.4504 1.4504 2.5803 2.5803 6.4258 6.4258 7.2687 7.2687 8.3019 8.3019 9.4477 9.4477 9.9731 9.9731 10.6694 10.6694 11.7068 11.7068 12.0283 12.0283 k =-0.0597 0.1793 0.1890 ( 2665 PWs) bands (ev): 0.2907 0.2907 0.4612 0.4612 1.1455 1.1455 1.1808 1.1808 1.4564 1.4564 2.5385 2.5385 6.3801 6.3801 7.2560 7.2560 8.2668 8.2668 9.4205 9.4205 10.0165 10.0165 10.7201 10.7201 11.7032 11.7032 11.9833 11.9833 k =-0.0548 0.1644 0.1733 ( 2669 PWs) bands (ev): 0.2851 0.2851 0.4558 0.4558 1.1469 1.1469 1.1821 1.1821 1.4620 1.4620 2.5001 2.5001 6.3371 6.3371 7.2435 7.2435 8.2343 8.2343 9.3955 9.3955 10.0586 10.0586 10.7694 10.7694 11.6995 11.6995 11.9407 11.9407 k =-0.0498 0.1494 0.1575 ( 2669 PWs) bands (ev): 0.2796 0.2796 0.4508 0.4508 1.1481 1.1481 1.1837 1.1837 1.4674 1.4674 2.4651 2.4651 6.2972 6.2972 7.2312 7.2312 8.2044 8.2044 9.3726 9.3726 10.0990 10.0990 10.8169 10.8169 11.6957 11.6957 11.9009 11.9009 k =-0.0448 0.1345 0.1418 ( 2673 PWs) bands (ev): 0.2742 0.2742 0.4461 0.4461 1.1492 1.1492 1.1853 1.1853 1.4723 1.4723 2.4334 2.4334 6.2604 6.2604 7.2195 7.2195 8.1772 8.1772 9.3519 9.3519 10.1373 10.1373 10.8621 10.8621 11.6918 11.6918 11.8640 11.8640 k =-0.0398 0.1195 0.1260 ( 2677 PWs) bands (ev): 0.2692 0.2692 0.4419 0.4419 1.1499 1.1499 1.1870 1.1870 1.4769 1.4769 2.4051 2.4051 6.2270 6.2270 7.2084 7.2084 8.1527 8.1527 9.3334 9.3334 10.1731 10.1731 10.9047 10.9047 11.6877 11.6877 11.8303 11.8303 k =-0.0349 0.1046 0.1103 ( 2675 PWs) bands (ev): 0.2645 0.2645 0.4381 0.4381 1.1506 1.1506 1.1888 1.1888 1.4811 1.4811 2.3802 2.3802 6.1971 6.1971 7.1982 7.1982 8.1310 8.1310 9.3170 9.3170 10.2060 10.2060 10.9441 10.9441 11.6835 11.6835 11.8003 11.8003 k =-0.0299 0.0897 0.0945 ( 2671 PWs) bands (ev): 0.2603 0.2603 0.4348 0.4348 1.1511 1.1511 1.1905 1.1905 1.4849 1.4849 2.3586 2.3586 6.1709 6.1709 7.1890 7.1890 8.1121 8.1121 9.3029 9.3029 10.2356 10.2356 10.9798 10.9798 11.6789 11.6789 11.7744 11.7744 k =-0.0249 0.0747 0.0788 ( 2663 PWs) bands (ev): 0.2566 0.2566 0.4321 0.4321 1.1515 1.1515 1.1922 1.1922 1.4881 1.4881 2.3403 2.3403 6.1486 6.1486 7.1810 7.1810 8.0960 8.0960 9.2910 9.2910 10.2616 10.2616 11.0113 11.0113 11.6739 11.6739 11.7530 11.7530 k =-0.0199 0.0598 0.0630 ( 2659 PWs) bands (ev): 0.2535 0.2535 0.4298 0.4298 1.1518 1.1518 1.1936 1.1936 1.4908 1.4908 2.3254 2.3254 6.1301 6.1301 7.1742 7.1742 8.0829 8.0829 9.2813 9.2813 10.2834 10.2834 11.0379 11.0379 11.6683 11.6683 11.7365 11.7365 k =-0.0149 0.0448 0.0473 ( 2659 PWs) bands (ev): 0.2510 0.2510 0.4280 0.4280 1.1520 1.1520 1.1947 1.1947 1.4928 1.4928 2.3138 2.3138 6.1157 6.1157 7.1689 7.1689 8.0726 8.0726 9.2738 9.2738 10.3009 10.3009 11.0592 11.0592 11.6626 11.6626 11.7248 11.7248 k =-0.0100 0.0299 0.0315 ( 2647 PWs) bands (ev): 0.2492 0.2492 0.4268 0.4268 1.1522 1.1522 1.1957 1.1957 1.4945 1.4945 2.3055 2.3055 6.1053 6.1053 7.1650 7.1650 8.0653 8.0653 9.2684 9.2684 10.3136 10.3136 11.0748 11.0748 11.6574 11.6574 11.7173 11.7173 k =-0.0050 0.0149 0.0158 ( 2637 PWs) bands (ev): 0.2482 0.2482 0.4261 0.4261 1.1523 1.1523 1.1963 1.1963 1.4954 1.4954 2.3005 2.3005 6.0991 6.0991 7.1627 7.1627 8.0609 8.0609 9.2652 9.2652 10.3213 10.3213 11.0843 11.0843 11.6538 11.6538 11.7132 11.7132 k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): 0.2479 0.2479 0.4258 0.4258 1.1523 1.1523 1.1965 1.1965 1.4958 1.4958 2.2989 2.2989 6.0970 6.0970 7.1619 7.1619 8.0594 8.0594 9.2641 9.2641 10.3239 10.3239 11.0875 11.0875 11.6526 11.6526 11.7119 11.7119 k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): 0.2479 0.2479 0.4258 0.4258 1.1523 1.1523 1.1965 1.1965 1.4958 1.4958 2.2989 2.2989 6.0970 6.0970 7.1619 7.1619 8.0594 8.0594 9.2641 9.2641 10.3239 10.3239 11.0875 11.0875 11.6526 11.6526 11.7119 11.7119 k = 0.0208 0.0069 0.0000 ( 2637 PWs) bands (ev): 0.2478 0.2478 0.4258 0.4258 1.1523 1.1523 1.1964 1.1964 1.4957 1.4957 2.3004 2.3004 6.0876 6.0876 7.1679 7.1679 8.0596 8.0596 9.2638 9.2638 10.3283 10.3283 11.0879 11.0879 11.6495 11.6495 11.7089 11.7089 k = 0.0417 0.0139 0.0000 ( 2649 PWs) bands (ev): 0.2478 0.2478 0.4257 0.4257 1.1521 1.1521 1.1963 1.1963 1.4956 1.4956 2.3047 2.3047 6.0602 6.0602 7.1852 7.1852 8.0604 8.0604 9.2629 9.2629 10.3414 10.3414 11.0891 11.0891 11.6405 11.6405 11.7002 11.7002 k = 0.0625 0.0208 0.0000 ( 2657 PWs) bands (ev): 0.2477 0.2477 0.4255 0.4255 1.1520 1.1520 1.1962 1.1962 1.4956 1.4956 2.3120 2.3120 6.0169 6.0169 7.2119 7.2119 8.0617 8.0617 9.2615 9.2615 10.3629 10.3629 11.0910 11.0910 11.6261 11.6261 11.6863 11.6863 k = 0.0833 0.0278 0.0000 ( 2657 PWs) bands (ev): 0.2477 0.2477 0.4254 0.4254 1.1520 1.1520 1.1963 1.1963 1.4956 1.4956 2.3221 2.3221 5.9604 5.9604 7.2454 7.2454 8.0634 8.0634 9.2594 9.2594 10.3926 10.3926 11.0937 11.0937 11.6072 11.6072 11.6678 11.6678 k = 0.1042 0.0347 0.0000 ( 2669 PWs) bands (ev): 0.2476 0.2476 0.4249 0.4249 1.1518 1.1518 1.1962 1.1962 1.4956 1.4956 2.3350 2.3350 5.8936 5.8936 7.2831 7.2831 8.0656 8.0656 9.2569 9.2569 10.4299 10.4299 11.0972 11.0972 11.5847 11.5847 11.6456 11.6457 k = 0.1250 0.0416 0.0000 ( 2673 PWs) bands (ev): 0.2476 0.2476 0.4246 0.4246 1.1516 1.1516 1.1962 1.1962 1.4956 1.4956 2.3506 2.3506 5.8190 5.8190 7.3231 7.3231 8.0683 8.0683 9.2538 9.2538 10.4741 10.4741 11.1015 11.1015 11.5595 11.5595 11.6207 11.6207 k = 0.1458 0.0486 0.0000 ( 2673 PWs) bands (ev): 0.2475 0.2475 0.4243 0.4243 1.1516 1.1516 1.1963 1.1963 1.4956 1.4956 2.3688 2.3688 5.7388 5.7388 7.3636 7.3636 8.0713 8.0713 9.2503 9.2503 10.5244 10.5244 11.1067 11.1067 11.5327 11.5327 11.5938 11.5938 k = 0.1667 0.0555 0.0000 ( 2673 PWs) bands (ev): 0.2475 0.2475 0.4240 0.4240 1.1515 1.1515 1.1963 1.1963 1.4956 1.4956 2.3893 2.3893 5.6547 5.6547 7.4034 7.4034 8.0746 8.0746 9.2465 9.2465 10.5797 10.5797 11.1129 11.1129 11.5051 11.5051 11.5658 11.5658 k = 0.1875 0.0625 0.0000 ( 2673 PWs) bands (ev): 0.2474 0.2474 0.4236 0.4236 1.1513 1.1513 1.1963 1.1963 1.4957 1.4957 2.4121 2.4121 5.5682 5.5682 7.4417 7.4417 8.0783 8.0783 9.2422 9.2422 10.6388 10.6388 11.1203 11.1203 11.4774 11.4774 11.5372 11.5372 k = 0.2083 0.0694 0.0000 ( 2673 PWs) bands (ev): 0.2474 0.2474 0.4233 0.4233 1.1512 1.1512 1.1963 1.1963 1.4957 1.4957 2.4370 2.4370 5.4807 5.4807 7.4778 7.4778 8.0821 8.0821 9.2378 9.2378 10.7003 10.7003 11.1291 11.1291 11.4504 11.4504 11.5086 11.5086 k = 0.2292 0.0764 0.0000 ( 2660 PWs) bands (ev): 0.2474 0.2474 0.4230 0.4230 1.1513 1.1513 1.1965 1.1965 1.4958 1.4958 2.4636 2.4636 5.3931 5.3931 7.5115 7.5115 8.0862 8.0862 9.2331 9.2331 10.7624 10.7624 11.1395 11.1395 11.4248 11.4248 11.4805 11.4805 k = 0.2500 0.0833 0.0000 ( 2660 PWs) bands (ev): 0.2473 0.2473 0.4226 0.4226 1.1511 1.1511 1.1965 1.1965 1.4958 1.4958 2.4916 2.4916 5.3066 5.3066 7.5425 7.5425 8.0903 8.0903 9.2283 9.2283 10.8229 10.8229 11.1522 11.1522 11.4016 11.4016 11.4534 11.4534 k = 0.2708 0.0902 0.0000 ( 2660 PWs) bands (ev): 0.2473 0.2473 0.4222 0.4222 1.1510 1.1510 1.1966 1.1966 1.4959 1.4959 2.5208 2.5208 5.2220 5.2220 7.5708 7.5708 8.0945 8.0945 9.2235 9.2235 10.8794 10.8794 11.1673 11.1673 11.3820 11.3820 11.4275 11.4275 k = 0.2917 0.0972 0.0000 ( 2660 PWs) bands (ev): 0.2472 0.2472 0.4219 0.4219 1.1509 1.1509 1.1966 1.1966 1.4959 1.4959 2.5507 2.5507 5.1402 5.1402 7.5962 7.5962 8.0987 8.0987 9.2188 9.2188 10.9291 10.9291 11.1845 11.1845 11.3680 11.3680 11.4032 11.4032 k = 0.3125 0.1041 0.0000 ( 2668 PWs) bands (ev): 0.2471 0.2471 0.4214 0.4214 1.1507 1.1507 1.1965 1.1965 1.4959 1.4959 2.5809 2.5809 5.0622 5.0622 7.6189 7.6189 8.1027 8.1027 9.2141 9.2141 10.9701 10.9701 11.2013 11.2013 11.3631 11.3631 11.3806 11.3806 k = 0.3333 0.1111 0.0000 ( 2680 PWs) bands (ev): 0.2470 0.2470 0.4210 0.4210 1.1505 1.1505 1.1965 1.1965 1.4957 1.4957 2.6107 2.6107 4.9887 4.9887 7.6389 7.6389 8.1066 8.1066 9.2097 9.2097 11.0016 11.0016 11.2131 11.2131 11.3599 11.3599 11.3713 11.3713 k = 0.3542 0.1180 0.0000 ( 2680 PWs) bands (ev): 0.2469 0.2469 0.4207 0.4207 1.1504 1.1504 1.1965 1.1965 1.4957 1.4957 2.6396 2.6396 4.9208 4.9208 7.6563 7.6563 8.1102 8.1102 9.2056 9.2056 11.0248 11.0248 11.2169 11.2169 11.3414 11.3414 11.3934 11.3934 k = 0.3750 0.1249 0.0000 ( 2680 PWs) bands (ev): 0.2469 0.2469 0.4204 0.4204 1.1503 1.1503 1.1965 1.1965 1.4958 1.4958 2.6668 2.6668 4.8592 4.8592 7.6712 7.6712 8.1134 8.1134 9.2018 9.2018 11.0414 11.0414 11.2144 11.2144 11.3251 11.3251 11.4247 11.4247 k = 0.3958 0.1319 0.0000 ( 2684 PWs) bands (ev): 0.2468 0.2468 0.4201 0.4201 1.1502 1.1502 1.1965 1.1965 1.4957 1.4957 2.6917 2.6917 4.8050 4.8050 7.6837 7.6837 8.1163 8.1163 9.1985 9.1985 11.0531 11.0531 11.2090 11.2090 11.3111 11.3111 11.4590 11.4590 k = 0.4167 0.1388 0.0000 ( 2688 PWs) bands (ev): 0.2468 0.2468 0.4199 0.4199 1.1501 1.1501 1.1965 1.1965 1.4957 1.4957 2.7134 2.7134 4.7590 4.7590 7.6937 7.6937 8.1188 8.1188 9.1957 9.1957 11.0613 11.0613 11.2031 11.2031 11.2996 11.2996 11.4915 11.4915 k = 0.4375 0.1458 0.0000 ( 2692 PWs) bands (ev): 0.2468 0.2468 0.4197 0.4197 1.1500 1.1500 1.1965 1.1965 1.4957 1.4957 2.7313 2.7313 4.7222 4.7222 7.7015 7.7015 8.1207 8.1207 9.1935 9.1935 11.0669 11.0669 11.1979 11.1979 11.2905 11.2905 11.5193 11.5193 k = 0.4583 0.1527 0.0000 ( 2688 PWs) bands (ev): 0.2469 0.2469 0.4195 0.4195 1.1500 1.1500 1.1966 1.1966 1.4958 1.4958 2.7447 2.7447 4.6952 4.6952 7.7070 7.7070 8.1222 8.1222 9.1918 9.1918 11.0705 11.0705 11.1939 11.1939 11.2840 11.2840 11.5404 11.5404 k = 0.4792 0.1597 0.0000 ( 2696 PWs) bands (ev): 0.2469 0.2469 0.4193 0.4193 1.1499 1.1499 1.1965 1.1965 1.4957 1.4957 2.7529 2.7529 4.6788 4.6788 7.7102 7.7102 8.1230 8.1230 9.1908 9.1908 11.0725 11.0725 11.1915 11.1915 11.2801 11.2801 11.5535 11.5535 k = 0.5000 0.1666 0.0000 ( 2688 PWs) bands (ev): 0.2469 0.2469 0.4194 0.4194 1.1500 1.1500 1.1966 1.1966 1.4958 1.4958 2.7557 2.7557 4.6733 4.6733 7.7113 7.7113 8.1233 8.1233 9.1905 9.1905 11.0732 11.0732 11.1907 11.1907 11.2788 11.2788 11.5580 11.5580 k = 0.5000 0.1666 0.0000 ( 2688 PWs) bands (ev): 0.2469 0.2469 0.4194 0.4194 1.1500 1.1500 1.1966 1.1966 1.4958 1.4958 2.7557 2.7557 4.6733 4.6733 7.7113 7.7113 8.1233 8.1233 9.1905 9.1905 11.0732 11.0732 11.1907 11.1907 11.2788 11.2788 11.5580 11.5580 k = 0.4951 0.1814 0.0156 ( 2692 PWs) bands (ev): 0.2472 0.2472 0.4196 0.4196 1.1499 1.1499 1.1963 1.1963 1.4954 1.4954 2.7570 2.7570 4.6757 4.6757 7.7127 7.7127 8.1246 8.1246 9.1920 9.1920 11.0697 11.0697 11.1894 11.1894 11.2781 11.2781 11.5566 11.5566 k = 0.4902 0.1961 0.0311 ( 2698 PWs) bands (ev): 0.2482 0.2482 0.4203 0.4203 1.1497 1.1497 1.1957 1.1957 1.4945 1.4945 2.7608 2.7608 4.6828 4.6828 7.7170 7.7170 8.1284 8.1284 9.1963 9.1963 11.0590 11.0590 11.1856 11.1856 11.2763 11.2763 11.5530 11.5530 k = 0.4852 0.2109 0.0467 ( 2708 PWs) bands (ev): 0.2499 0.2499 0.4214 0.4214 1.1494 1.1494 1.1947 1.1947 1.4928 1.4928 2.7672 2.7672 4.6946 4.6946 7.7240 7.7240 8.1347 8.1347 9.2035 9.2035 11.0404 11.0404 11.1786 11.1786 11.2743 11.2743 11.5480 11.5480 k = 0.4803 0.2257 0.0622 ( 2696 PWs) bands (ev): 0.2525 0.2525 0.4233 0.4233 1.1490 1.1490 1.1936 1.1936 1.4908 1.4908 2.7762 2.7762 4.7111 4.7111 7.7338 7.7338 8.1435 8.1435 9.2135 9.2135 11.0133 11.0133 11.1677 11.1677 11.2733 11.2733 11.5429 11.5429 k = 0.4754 0.2404 0.0778 ( 2690 PWs) bands (ev): 0.2555 0.2555 0.4255 0.4255 1.1485 1.1485 1.1921 1.1921 1.4882 1.4882 2.7878 2.7878 4.7323 4.7323 7.7461 7.7461 8.1550 8.1550 9.2261 9.2261 10.9775 10.9775 11.1523 11.1523 11.2744 11.2744 11.5389 11.5389 k = 0.4705 0.2552 0.0934 ( 2690 PWs) bands (ev): 0.2592 0.2592 0.4283 0.4283 1.1478 1.1478 1.1904 1.1904 1.4850 1.4850 2.8019 2.8019 4.7581 4.7581 7.7609 7.7609 8.1691 8.1691 9.2413 9.2413 10.9331 10.9331 11.1320 11.1320 11.2783 11.2783 11.5372 11.5372 k = 0.4656 0.2699 0.1089 ( 2696 PWs) bands (ev): 0.2632 0.2632 0.4315 0.4315 1.1468 1.1468 1.1886 1.1886 1.4812 1.4812 2.8187 2.8187 4.7884 4.7884 7.7780 7.7780 8.1859 8.1859 9.2589 9.2589 10.8810 10.8810 11.1066 11.1066 11.2850 11.2850 11.5382 11.5382 k = 0.4606 0.2847 0.1245 ( 2696 PWs) bands (ev): 0.2678 0.2678 0.4352 0.4352 1.1456 1.1456 1.1867 1.1867 1.4769 1.4769 2.8380 2.8380 4.8231 4.8231 7.7972 7.7972 8.2054 8.2054 9.2786 9.2786 10.8223 10.8223 11.0765 11.0765 11.2943 11.2943 11.5425 11.5425 k = 0.4557 0.2995 0.1401 ( 2696 PWs) bands (ev): 0.2727 0.2727 0.4393 0.4393 1.1442 1.1442 1.1848 1.1848 1.4722 1.4722 2.8600 2.8600 4.8622 4.8622 7.8183 7.8183 8.2276 8.2276 9.3002 9.3002 10.7581 10.7581 11.0417 11.0417 11.3060 11.3060 11.5502 11.5502 k = 0.4508 0.3142 0.1556 ( 2688 PWs) bands (ev): 0.2780 0.2780 0.4439 0.4439 1.1425 1.1425 1.1832 1.1832 1.4671 1.4671 2.8846 2.8846 4.9056 4.9056 7.8412 7.8412 8.2525 8.2525 9.3235 9.3235 10.6899 10.6899 11.0026 11.0026 11.3198 11.3198 11.5611 11.5611 k = 0.4459 0.3290 0.1712 ( 2686 PWs) bands (ev): 0.2834 0.2834 0.4489 0.4489 1.1406 1.1406 1.1816 1.1816 1.4617 1.4617 2.9119 2.9119 4.9531 4.9531 7.8656 7.8656 8.2802 8.2802 9.3479 9.3479 10.6189 10.6189 10.9595 10.9595 11.3355 11.3355 11.5753 11.5753 k = 0.4410 0.3438 0.1867 ( 2690 PWs) bands (ev): 0.2889 0.2889 0.4541 0.4541 1.1384 1.1384 1.1802 1.1802 1.4559 1.4559 2.9419 2.9419 5.0047 5.0047 7.8914 7.8914 8.3106 8.3106 9.3730 9.3730 10.5462 10.5462 10.9126 10.9126 11.3529 11.3529 11.5926 11.5926 k = 0.4361 0.3585 0.2023 ( 2686 PWs) bands (ev): 0.2945 0.2945 0.4597 0.4597 1.1362 1.1362 1.1791 1.1791 1.4499 1.4499 2.9745 2.9745 5.0602 5.0602 7.9183 7.9183 8.3435 8.3435 9.3981 9.3981 10.4731 10.4731 10.8622 10.8622 11.3718 11.3718 11.6131 11.6131 k = 0.4311 0.3733 0.2179 ( 2686 PWs) bands (ev): 0.3001 0.3001 0.4653 0.4653 1.1339 1.1339 1.1780 1.1780 1.4436 1.4436 3.0099 3.0099 5.1195 5.1195 7.9461 7.9461 8.3788 8.3788 9.4225 9.4225 10.4008 10.4008 10.8083 10.8083 11.3921 11.3921 11.6366 11.6366 k = 0.4262 0.3881 0.2334 ( 2682 PWs) bands (ev): 0.3056 0.3056 0.4711 0.4711 1.1318 1.1318 1.1772 1.1772 1.4373 1.4373 3.0479 3.0479 5.1825 5.1825 7.9749 7.9749 8.4164 8.4164 9.4451 9.4451 10.3306 10.3306 10.7513 10.7513 11.4136 11.4136 11.6632 11.6632 k = 0.4213 0.4028 0.2490 ( 2686 PWs) bands (ev): 0.3110 0.3110 0.4767 0.4767 1.1297 1.1297 1.1764 1.1764 1.4308 1.4308 3.0888 3.0888 5.2489 5.2489 8.0043 8.0043 8.4558 8.4558 9.4645 9.4645 10.2641 10.2641 10.6912 10.6912 11.4359 11.4359 11.6930 11.6930 k = 0.4164 0.4176 0.2646 ( 2684 PWs) bands (ev): 0.3163 0.3163 0.4822 0.4822 1.1281 1.1281 1.1757 1.1757 1.4244 1.4244 3.1324 3.1324 5.3188 5.3188 8.0344 8.0344 8.4968 8.4968 9.4791 9.4791 10.2031 10.2031 10.6283 10.6283 11.4591 11.4591 11.7260 11.7260 k = 0.4115 0.4323 0.2801 ( 2692 PWs) bands (ev): 0.3214 0.3214 0.4874 0.4874 1.1268 1.1268 1.1749 1.1749 1.4178 1.4178 3.1788 3.1788 5.3918 5.3918 8.0649 8.0649 8.5390 8.5390 9.4867 9.4867 10.1498 10.1498 10.5627 10.5627 11.4827 11.4827 11.7623 11.7623 k = 0.4065 0.4471 0.2957 ( 2684 PWs) bands (ev): 0.3265 0.3265 0.4923 0.4923 1.1262 1.1262 1.1742 1.1742 1.4116 1.4116 3.2280 3.2280 5.4679 5.4679 8.0960 8.0960 8.5818 8.5818 9.4850 9.4850 10.1063 10.1063 10.4944 10.4944 11.5066 11.5066 11.8021 11.8021 k = 0.4016 0.4619 0.3112 ( 2680 PWs) bands (ev): 0.3313 0.3313 0.4966 0.4966 1.1261 1.1261 1.1734 1.1734 1.4055 1.4055 3.2800 3.2800 5.5469 5.5469 8.1276 8.1276 8.6249 8.6249 9.4724 9.4724 10.0744 10.0744 10.4237 10.4237 11.5303 11.5303 11.8453 11.8453 k = 0.3967 0.4766 0.3268 ( 2680 PWs) bands (ev): 0.3360 0.3360 0.5003 0.5003 1.1265 1.1265 1.1725 1.1725 1.3997 1.3997 3.3348 3.3348 5.6285 5.6285 8.1595 8.1595 8.6675 8.6675 9.4481 9.4481 10.0546 10.0546 10.3506 10.3506 11.5536 11.5536 11.8922 11.8922 k = 0.3918 0.4914 0.3424 ( 2688 PWs) bands (ev): 0.3404 0.3404 0.5032 0.5032 1.1276 1.1276 1.1714 1.1714 1.3941 1.3941 3.3925 3.3925 5.7127 5.7127 8.1917 8.1917 8.7091 8.7091 9.4130 9.4130 10.0459 10.0459 10.2754 10.2754 11.5759 11.5759 11.9428 11.9428 k = 0.3869 0.5062 0.3579 ( 2688 PWs) bands (ev): 0.3447 0.3447 0.5054 0.5054 1.1294 1.1294 1.1702 1.1702 1.3890 1.3890 3.4530 3.4530 5.7991 5.7991 8.2241 8.2241 8.7489 8.7489 9.3692 9.3692 10.0459 10.0459 10.1984 10.1984 11.5969 11.5969 11.9971 11.9971 k = 0.3819 0.5209 0.3735 ( 2680 PWs) bands (ev): 0.3488 0.3488 0.5069 0.5069 1.1318 1.1318 1.1689 1.1689 1.3844 1.3844 3.5163 3.5163 5.8877 5.8877 8.2568 8.2568 8.7861 8.7861 9.3190 9.3190 10.0510 10.0510 10.1210 10.1210 11.6160 11.6160 12.0551 12.0551 k = 0.3770 0.5357 0.3890 ( 2678 PWs) bands (ev): 0.3527 0.3527 0.5075 0.5075 1.1348 1.1348 1.1674 1.1674 1.3804 1.3804 3.5825 3.5825 5.9782 5.9782 8.2895 8.2895 8.8199 8.8199 9.2649 9.2649 10.0305 10.0305 10.0719 10.0719 11.6326 11.6326 12.1166 12.1166 k = 0.3721 0.5505 0.4046 ( 2682 PWs) bands (ev): 0.3565 0.3565 0.5073 0.5073 1.1383 1.1383 1.1655 1.1655 1.3768 1.3768 3.6515 3.6515 6.0703 6.0703 8.3222 8.3222 8.8492 8.8492 9.2088 9.2088 9.9535 9.9535 10.0806 10.0806 11.6461 11.6461 12.1806 12.1806 k = 0.3672 0.5652 0.4202 ( 2682 PWs) bands (ev): 0.3600 0.3600 0.5064 0.5064 1.1422 1.1422 1.1635 1.1635 1.3739 1.3739 3.7232 3.7232 6.1639 6.1639 8.3546 8.3546 8.8725 8.8725 9.1521 9.1521 9.8726 9.8726 10.0939 10.0939 11.6560 11.6560 12.2140 12.2141 k = 0.3623 0.5800 0.4357 ( 2682 PWs) bands (ev): 0.3635 0.3635 0.5047 0.5047 1.1463 1.1463 1.1613 1.1613 1.3717 1.3717 3.7977 3.7977 6.2586 6.2586 8.3865 8.3865 8.8881 8.8881 9.0964 9.0964 9.7926 9.7926 10.1074 10.1074 11.6615 11.6615 12.1637 12.1637 k = 0.3573 0.5948 0.4513 ( 2678 PWs) bands (ev): 0.3667 0.3667 0.5025 0.5025 1.1504 1.1504 1.1593 1.1593 1.3701 1.3701 3.8748 3.8748 6.3543 6.3543 8.4176 8.4176 8.8936 8.8936 9.0430 9.0430 9.7155 9.7155 10.1199 10.1199 11.6624 11.6624 12.1100 12.1100 k = 0.3524 0.6095 0.4669 ( 2676 PWs) bands (ev): 0.3698 0.3698 0.4996 0.4996 1.1526 1.1526 1.1591 1.1591 1.3693 1.3693 3.9546 3.9546 6.4505 6.4505 8.4471 8.4471 8.8860 8.8860 8.9937 8.9937 9.6438 9.6438 10.1308 10.1308 11.6584 11.6584 12.0573 12.0573 k = 0.3475 0.6243 0.4824 ( 2677 PWs) bands (ev): 0.3727 0.3727 0.4962 0.4962 1.1510 1.1510 1.1625 1.1625 1.3691 1.3691 4.0369 4.0369 6.5469 6.5469 8.4740 8.4740 8.8630 8.8630 8.9492 8.9492 9.5805 9.5805 10.1396 10.1396 11.6494 11.6494 12.0060 12.0061 k = 0.3426 0.6390 0.4980 ( 2683 PWs) bands (ev): 0.3754 0.3754 0.4924 0.4924 1.1481 1.1481 1.1669 1.1669 1.3695 1.3695 4.1217 4.1217 6.6433 6.6433 8.4964 8.4964 8.8274 8.8274 8.9067 8.9067 9.5281 9.5281 10.1460 10.1460 11.6358 11.6358 11.9564 11.9564 k = 0.3377 0.6538 0.5135 ( 2685 PWs) bands (ev): 0.3780 0.3780 0.4882 0.4882 1.1448 1.1448 1.1715 1.1715 1.3705 1.3705 4.2089 4.2089 6.7391 6.7391 8.5101 8.5101 8.7864 8.7864 8.8622 8.8622 9.4882 9.4882 10.1499 10.1499 11.6180 11.6180 11.9086 11.9086 k = 0.3327 0.6686 0.5291 ( 2685 PWs) bands (ev): 0.3804 0.3804 0.4839 0.4839 1.1414 1.1414 1.1760 1.1760 1.3721 1.3721 4.2984 4.2984 6.8339 6.8339 8.5065 8.5065 8.7486 8.7486 8.8167 8.8167 9.4605 9.4605 10.1509 10.1509 11.5967 11.5967 11.8626 11.8626 k = 0.3278 0.6833 0.5447 ( 2685 PWs) bands (ev): 0.3827 0.3827 0.4793 0.4793 1.1379 1.1379 1.1804 1.1804 1.3742 1.3742 4.3901 4.3901 6.9272 6.9272 8.4736 8.4736 8.7226 8.7226 8.7762 8.7762 9.4435 9.4435 10.1491 10.1491 11.5727 11.5727 11.8187 11.8187 k = 0.3229 0.6981 0.5602 ( 2677 PWs) bands (ev): 0.3849 0.3849 0.4748 0.4748 1.1344 1.1344 1.1846 1.1846 1.3767 1.3767 4.4838 4.4838 7.0183 7.0183 8.4074 8.4074 8.7038 8.7038 8.7524 8.7524 9.4348 9.4348 10.1444 10.1444 11.5466 11.5466 11.7768 11.7768 k = 0.3180 0.7129 0.5758 ( 2667 PWs) bands (ev): 0.3869 0.3869 0.4702 0.4702 1.1310 1.1310 1.1886 1.1886 1.3796 1.3796 4.5793 4.5793 7.1065 7.1065 8.3158 8.3158 8.6798 8.6798 8.7529 8.7529 9.4326 9.4326 10.1368 10.1368 11.5194 11.5194 11.7370 11.7370 k = 0.3131 0.7276 0.5914 ( 2667 PWs) bands (ev): 0.3887 0.3887 0.4657 0.4657 1.1276 1.1276 1.1921 1.1921 1.3826 1.3826 4.6766 4.6766 7.1910 7.1910 8.2078 8.2078 8.6559 8.6559 8.7658 8.7658 9.4354 9.4354 10.1262 10.1262 11.4916 11.4916 11.6995 11.6995 k = 0.3082 0.7424 0.6069 ( 2667 PWs) bands (ev): 0.3903 0.3903 0.4613 0.4613 1.1242 1.1242 1.1955 1.1955 1.3858 1.3858 4.7753 4.7753 7.2709 7.2709 8.0892 8.0892 8.6373 8.6373 8.7829 8.7829 9.4423 9.4423 10.1128 10.1128 11.4638 11.4638 11.6643 11.6643 k = 0.3032 0.7572 0.6225 ( 2667 PWs) bands (ev): 0.3918 0.3918 0.4571 0.4571 1.1210 1.1210 1.1985 1.1985 1.3891 1.3891 4.8754 4.8754 7.3452 7.3452 7.9633 7.9633 8.6256 8.6256 8.8010 8.8010 9.4526 9.4526 10.0966 10.0966 11.4366 11.4366 11.6314 11.6314 k = 0.2983 0.7719 0.6380 ( 2663 PWs) bands (ev): 0.3932 0.3932 0.4531 0.4531 1.1181 1.1181 1.2012 1.2012 1.3923 1.3923 4.9765 4.9765 7.4127 7.4127 7.8323 7.8323 8.6218 8.6218 8.8189 8.8189 9.4662 9.4662 10.0777 10.0777 11.4103 11.4103 11.6009 11.6009 k = 0.2934 0.7867 0.6536 ( 2663 PWs) bands (ev): 0.3944 0.3944 0.4494 0.4494 1.1153 1.1153 1.2037 1.2037 1.3955 1.3955 5.0785 5.0785 7.4720 7.4720 7.6982 7.6982 8.6266 8.6266 8.8359 8.8359 9.4826 9.4826 10.0561 10.0561 11.3853 11.3853 11.5727 11.5727 k = 0.2885 0.8014 0.6692 ( 2667 PWs) bands (ev): 0.3955 0.3955 0.4460 0.4460 1.1127 1.1127 1.2058 1.2058 1.3985 1.3985 5.1809 5.1809 7.5136 7.5136 7.5711 7.5711 8.6403 8.6403 8.8519 8.8519 9.5017 9.5017 10.0320 10.0320 11.3619 11.3619 11.5471 11.5471 k = 0.2836 0.8162 0.6847 ( 2671 PWs) bands (ev): 0.3964 0.3964 0.4430 0.4430 1.1104 1.1104 1.2077 1.2077 1.4012 1.4012 5.2834 5.2834 7.4137 7.4137 7.5750 7.5750 8.6631 8.6631 8.8670 8.8670 9.5233 9.5233 10.0055 10.0055 11.3403 11.3403 11.5239 11.5239 k = 0.2786 0.8310 0.7003 ( 2667 PWs) bands (ev): 0.3973 0.3973 0.4405 0.4405 1.1085 1.1085 1.2093 1.2093 1.4038 1.4038 5.3857 5.3857 7.2746 7.2746 7.6087 7.6087 8.6944 8.6944 8.8812 8.8812 9.5471 9.5471 9.9768 9.9768 11.3208 11.3208 11.5032 11.5032 k = 0.2737 0.8457 0.7158 ( 2673 PWs) bands (ev): 0.3979 0.3979 0.4383 0.4383 1.1068 1.1068 1.2107 1.2107 1.4059 1.4059 5.4872 5.4872 7.1337 7.1337 7.6359 7.6359 8.7333 8.7333 8.8947 8.8947 9.5730 9.5730 9.9460 9.9460 11.3035 11.3035 11.4849 11.4849 k = 0.2688 0.8605 0.7314 ( 2671 PWs) bands (ev): 0.3985 0.3985 0.4366 0.4366 1.1055 1.1055 1.2119 1.2119 1.4078 1.4078 5.5871 5.5871 6.9931 6.9931 7.6565 7.6565 8.7785 8.7785 8.9081 8.9081 9.6006 9.6006 9.9133 9.9133 11.2886 11.2886 11.4692 11.4692 k = 0.2639 0.8753 0.7470 ( 2667 PWs) bands (ev): 0.3990 0.3990 0.4354 0.4354 1.1044 1.1044 1.2128 1.2128 1.4093 1.4093 5.6843 5.6843 6.8540 6.8540 7.6712 7.6712 8.8286 8.8286 8.9214 8.9214 9.6297 9.6297 9.8789 9.8789 11.2761 11.2761 11.4560 11.4560 k = 0.2639 0.8753 0.7470 ( 2667 PWs) bands (ev): 0.3990 0.3990 0.4354 0.4354 1.1044 1.1044 1.2128 1.2128 1.4093 1.4093 5.6843 5.6843 6.8540 6.8540 7.6712 7.6712 8.8286 8.8286 8.9214 8.9214 9.6297 9.6297 9.8789 9.8789 11.2761 11.2761 11.4560 11.4560 k = 0.2436 0.8721 0.7503 ( 2663 PWs) bands (ev): 0.3991 0.3991 0.4353 0.4353 1.1043 1.1043 1.2130 1.2130 1.4096 1.4096 5.7056 5.7056 6.8210 6.8210 7.6784 7.6784 8.8141 8.8141 8.9481 8.9481 9.6370 9.6370 9.8712 9.8712 11.2736 11.2736 11.4534 11.4534 k = 0.2233 0.8689 0.7537 ( 2655 PWs) bands (ev): 0.3992 0.3992 0.4352 0.4352 1.1042 1.1042 1.2133 1.2133 1.4100 1.4100 5.7279 5.7279 6.7828 6.7828 7.6938 7.6938 8.7748 8.7748 8.9951 8.9951 9.6459 9.6459 9.8636 9.8636 11.2710 11.2710 11.4509 11.4509 k = 0.2030 0.8657 0.7571 ( 2657 PWs) bands (ev): 0.3993 0.3993 0.4350 0.4350 1.1040 1.1040 1.2134 1.2134 1.4102 1.4102 5.7513 5.7513 6.7408 6.7408 7.7161 7.7161 8.7291 8.7291 9.0438 9.0438 9.6565 9.6565 9.8560 9.8560 11.2684 11.2684 11.4484 11.4484 k = 0.1827 0.8625 0.7605 ( 2658 PWs) bands (ev): 0.3993 0.3993 0.4350 0.4350 1.1039 1.1039 1.2135 1.2135 1.4104 1.4104 5.7756 5.7756 6.6964 6.6964 7.7440 7.7440 8.6808 8.6808 9.0899 9.0899 9.6687 9.6687 9.8485 9.8485 11.2657 11.2657 11.4462 11.4462 k = 0.1624 0.8592 0.7639 ( 2659 PWs) bands (ev): 0.3993 0.3993 0.4349 0.4349 1.1038 1.1038 1.2137 1.2137 1.4106 1.4106 5.8006 5.8006 6.6510 6.6510 7.7763 7.7763 8.6312 8.6312 9.1320 9.1320 9.6821 9.6821 9.8413 9.8413 11.2632 11.2632 11.4441 11.4441 k = 0.1421 0.8560 0.7672 ( 2663 PWs) bands (ev): 0.3993 0.3993 0.4348 0.4348 1.1037 1.1037 1.2138 1.2138 1.4107 1.4107 5.8261 5.8261 6.6059 6.6059 7.8121 7.8121 8.5811 8.5811 9.1694 9.1694 9.6964 9.6964 9.8344 9.8344 11.2607 11.2607 11.4423 11.4423 k = 0.1218 0.8528 0.7706 ( 2661 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1036 1.1036 1.2139 1.2139 1.4109 1.4109 5.8517 5.8517 6.5621 6.5621 7.8502 7.8502 8.5310 8.5310 9.2018 9.2018 9.7112 9.7112 9.8280 9.8280 11.2584 11.2584 11.4407 11.4407 k = 0.1015 0.8496 0.7740 ( 2666 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1035 1.1035 1.2140 1.2140 1.4110 1.4110 5.8767 5.8767 6.5208 6.5208 7.8898 7.8898 8.4818 8.4818 9.2288 9.2288 9.7257 9.7257 9.8221 9.8221 11.2563 11.2563 11.4393 11.4393 k = 0.0812 0.8464 0.7774 ( 2668 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1034 1.1034 1.2140 1.2140 1.4111 1.4111 5.9004 5.9004 6.4834 6.4834 7.9295 7.9295 8.4344 8.4344 9.2507 9.2507 9.7393 9.7393 9.8168 9.8168 11.2545 11.2545 11.4382 11.4382 k = 0.0609 0.8432 0.7807 ( 2670 PWs) bands (ev): 0.3994 0.3994 0.4347 0.4347 1.1034 1.1034 1.2141 1.2141 1.4112 1.4112 5.9214 5.9214 6.4513 6.4513 7.9677 7.9677 8.3903 8.3903 9.2675 9.2675 9.7512 9.7512 9.8122 9.8122 11.2531 11.2531 11.4373 11.4373 k = 0.0406 0.8400 0.7841 ( 2668 PWs) bands (ev): 0.3994 0.3994 0.4347 0.4347 1.1033 1.1033 1.2141 1.2141 1.4113 1.4113 5.9384 5.9384 6.4263 6.4263 8.0014 8.0014 8.3525 8.3525 9.2793 9.2793 9.7607 9.7607 9.8084 9.8084 11.2520 11.2520 11.4367 11.4367 k = 0.0203 0.8368 0.7875 ( 2666 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1034 1.1034 1.2142 1.2142 1.4114 1.4114 5.9495 5.9495 6.4103 6.4103 8.0261 8.0261 8.3254 8.3254 9.2864 9.2864 9.7669 9.7669 9.8057 9.8057 11.2514 11.2514 11.4363 11.4363 k = 0.0000 0.8336 0.7909 ( 2664 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1034 1.1034 1.2142 1.2142 1.4114 1.4114 5.9534 5.9534 6.4047 6.4047 8.0354 8.0354 8.3153 8.3153 9.2887 9.2887 9.7692 9.7692 9.8047 9.8047 11.2511 11.2512 11.4362 11.4362 k = 0.0000 0.8336 0.7909 ( 2664 PWs) bands (ev): 0.3994 0.3994 0.4348 0.4348 1.1034 1.1034 1.2142 1.2142 1.4114 1.4114 5.9534 5.9534 6.4047 6.4047 8.0354 8.0354 8.3153 8.3153 9.2887 9.2887 9.7692 9.7692 9.8047 9.8047 11.2512 11.2512 11.4362 11.4362 k = 0.0050 0.8186 0.8067 ( 2668 PWs) bands (ev): 0.3999 0.3999 0.4348 0.4348 1.1031 1.1031 1.2141 1.2141 1.4111 1.4111 5.9542 5.9542 6.4070 6.4070 8.0370 8.0370 8.3155 8.3155 9.2909 9.2909 9.7686 9.7686 9.8005 9.8005 11.2505 11.2505 11.4379 11.4379 k = 0.0100 0.8036 0.8225 ( 2668 PWs) bands (ev): 0.4012 0.4012 0.4348 0.4348 1.1023 1.1023 1.2138 1.2138 1.4104 1.4104 5.9564 5.9564 6.4137 6.4137 8.0419 8.0419 8.3164 8.3164 9.2973 9.2973 9.7670 9.7670 9.7882 9.7882 11.2484 11.2484 11.4432 11.4432 k = 0.0150 0.7886 0.8383 ( 2664 PWs) bands (ev): 0.4035 0.4035 0.4349 0.4349 1.1011 1.1011 1.2133 1.2133 1.4092 1.4092 5.9601 5.9601 6.4249 6.4249 8.0499 8.0499 8.3177 8.3177 9.3077 9.3077 9.7638 9.7638 9.7691 9.7691 11.2449 11.2449 11.4515 11.4515 k = 0.0200 0.7736 0.8541 ( 2666 PWs) bands (ev): 0.4066 0.4066 0.4351 0.4351 1.0993 1.0993 1.2126 1.2126 1.4075 1.4075 5.9653 5.9653 6.4405 6.4405 8.0608 8.0608 8.3195 8.3195 9.3214 9.3214 9.7416 9.7416 9.7619 9.7619 11.2398 11.2398 11.4623 11.4623 k = 0.0250 0.7586 0.8700 ( 2668 PWs) bands (ev): 0.4104 0.4104 0.4353 0.4353 1.0971 1.0971 1.2117 1.2117 1.4054 1.4054 5.9720 5.9720 6.4604 6.4604 8.0743 8.0743 8.3216 8.3216 9.3375 9.3375 9.7111 9.7111 9.7585 9.7585 11.2332 11.2332 11.4751 11.4751 k = 0.0300 0.7436 0.8858 ( 2668 PWs) bands (ev): 0.4149 0.4149 0.4356 0.4356 1.0946 1.0946 1.2106 1.2106 1.4031 1.4031 5.9801 5.9801 6.4845 6.4845 8.0902 8.0902 8.3241 8.3241 9.3536 9.3536 9.6791 9.6791 9.7553 9.7553 11.2249 11.2249 11.4893 11.4893 k = 0.0350 0.7286 0.9016 ( 2662 PWs) bands (ev): 0.4199 0.4199 0.4360 0.4360 1.0918 1.0918 1.2094 1.2094 1.4005 1.4005 5.9897 5.9897 6.5129 6.5129 8.1080 8.1080 8.3267 8.3267 9.3656 9.3656 9.6508 9.6508 9.7529 9.7529 11.2148 11.2148 11.5041 11.5041 k = 0.0400 0.7136 0.9174 ( 2664 PWs) bands (ev): 0.4250 0.4250 0.4367 0.4367 1.0887 1.0887 1.2078 1.2078 1.3976 1.3976 6.0008 6.0008 6.5452 6.5452 8.1271 8.1271 8.3294 8.3294 9.3666 9.3666 9.6340 9.6340 9.7518 9.7518 11.2027 11.2027 11.5192 11.5192 k = 0.0450 0.6986 0.9332 ( 2666 PWs) bands (ev): 0.4296 0.4296 0.4384 0.4384 1.0854 1.0854 1.2061 1.2061 1.3947 1.3947 6.0133 6.0133 6.5815 6.5815 8.1470 8.1470 8.3319 8.3319 9.3497 9.3497 9.6363 9.6363 9.7529 9.7529 11.1887 11.1887 11.5342 11.5342 k = 0.0500 0.6836 0.9490 ( 2668 PWs) bands (ev): 0.4324 0.4324 0.4420 0.4420 1.0820 1.0820 1.2042 1.2042 1.3918 1.3918 6.0273 6.0273 6.6214 6.6214 8.1670 8.1670 8.3342 8.3342 9.3143 9.3143 9.6591 9.6591 9.7570 9.7570 11.1725 11.1725 11.5488 11.5488 k = 0.0550 0.6685 0.9649 ( 2668 PWs) bands (ev): 0.4335 0.4335 0.4473 0.4473 1.0786 1.0786 1.2023 1.2023 1.3889 1.3889 6.0427 6.0427 6.6649 6.6649 8.1864 8.1864 8.3362 8.3362 9.2657 9.2657 9.6976 9.6976 9.7649 9.7649 11.1543 11.1543 11.5630 11.5630 k = 0.0600 0.6535 0.9807 ( 2668 PWs) bands (ev): 0.4340 0.4340 0.4532 0.4532 1.0751 1.0751 1.2003 1.2003 1.3864 1.3864 6.0596 6.0596 6.7117 6.7117 8.2044 8.2044 8.3376 8.3376 9.2090 9.2090 9.7465 9.7465 9.7785 9.7785 11.1340 11.1340 11.5768 11.5768 k = 0.0650 0.6385 0.9965 ( 2666 PWs) bands (ev): 0.4341 0.4341 0.4590 0.4590 1.0717 1.0717 1.1984 1.1984 1.3841 1.3841 6.0778 6.0778 6.7616 6.7616 8.2203 8.2203 8.3383 8.3383 9.1476 9.1476 9.7884 9.7884 9.8129 9.8129 11.1119 11.1119 11.5902 11.5902 k = 0.0700 0.6235 1.0123 ( 2664 PWs) bands (ev): 0.4341 0.4341 0.4645 0.4645 1.0683 1.0683 1.1967 1.1967 1.3822 1.3822 6.0975 6.0975 6.8142 6.8142 8.2334 8.2334 8.3382 8.3382 9.0835 9.0835 9.8142 9.8142 9.8763 9.8763 11.0882 11.0882 11.6036 11.6036 k = 0.0750 0.6085 1.0281 ( 2660 PWs) bands (ev): 0.4340 0.4340 0.4694 0.4694 1.0649 1.0649 1.1954 1.1954 1.3809 1.3809 6.1185 6.1185 6.8693 6.8693 8.2431 8.2431 8.3371 8.3371 9.0183 9.0183 9.8438 9.8438 9.9482 9.9482 11.0633 11.0633 11.6171 11.6171 k = 0.0800 0.5935 1.0440 ( 2664 PWs) bands (ev): 0.4336 0.4336 0.4735 0.4735 1.0612 1.0612 1.1946 1.1946 1.3801 1.3801 6.1409 6.1409 6.9264 6.9264 8.2490 8.2490 8.3350 8.3350 8.9529 8.9529 9.8793 9.8793 10.0260 10.0260 11.0379 11.0379 11.6311 11.6311 k = 0.0850 0.5785 1.0598 ( 2662 PWs) bands (ev): 0.4330 0.4330 0.4769 0.4769 1.0573 1.0573 1.1946 1.1946 1.3801 1.3801 6.1646 6.1646 6.9852 6.9852 8.2509 8.2509 8.3316 8.3316 8.8884 8.8884 9.9207 9.9207 10.1090 10.1090 11.0128 11.0128 11.6457 11.6457 k = 0.0900 0.5635 1.0756 ( 2668 PWs) bands (ev): 0.4323 0.4323 0.4791 0.4791 1.0530 1.0530 1.1954 1.1954 1.3809 1.3809 6.1896 6.1896 7.0450 7.0450 8.2488 8.2488 8.3270 8.3270 8.8257 8.8257 9.9671 9.9671 10.1967 10.1967 10.9892 10.9892 11.6614 11.6614 k = 0.0950 0.5485 1.0914 ( 2664 PWs) bands (ev): 0.4314 0.4314 0.4805 0.4805 1.0483 1.0483 1.1973 1.1973 1.3826 1.3826 6.2159 6.2159 7.1052 7.1052 8.2426 8.2426 8.3210 8.3210 8.7656 8.7656 10.0174 10.0174 10.2888 10.2888 10.9686 10.9686 11.6783 11.6783 k = 0.1000 0.5335 1.1072 ( 2668 PWs) bands (ev): 0.4302 0.4302 0.4807 0.4807 1.0429 1.0429 1.2003 1.2003 1.3853 1.3853 6.2434 6.2434 7.1651 7.1651 8.2327 8.2327 8.3135 8.3135 8.7093 8.7093 10.0693 10.0693 10.3848 10.3848 10.9534 10.9534 11.6967 11.6967 k = 0.1050 0.5185 1.1230 ( 2668 PWs) bands (ev): 0.4287 0.4287 0.4799 0.4799 1.0369 1.0369 1.2043 1.2043 1.3893 1.3893 6.2721 6.2721 7.2236 7.2236 8.2195 8.2195 8.3043 8.3043 8.6578 8.6578 10.1202 10.1202 10.4844 10.4844 10.9462 10.9462 11.7168 11.7168 k = 0.1100 0.5035 1.1389 ( 2664 PWs) bands (ev): 0.4269 0.4269 0.4781 0.4781 1.0303 1.0303 1.2093 1.2093 1.3946 1.3946 6.3019 6.3019 7.2797 7.2797 8.2034 8.2034 8.2933 8.2933 8.6127 8.6127 10.1663 10.1663 10.5871 10.5871 10.9506 10.9506 11.7387 11.7387 k = 0.1150 0.4885 1.1547 ( 2664 PWs) bands (ev): 0.4248 0.4248 0.4754 0.4754 1.0231 1.0231 1.2148 1.2148 1.4013 1.4013 6.3328 6.3328 7.3319 7.3319 8.1848 8.1848 8.2803 8.2803 8.5757 8.5757 10.2039 10.2039 10.6923 10.6923 10.9701 10.9701 11.7628 11.7628 k = 0.1200 0.4735 1.1705 ( 2666 PWs) bands (ev): 0.4222 0.4222 0.4720 0.4720 1.0154 1.0154 1.2207 1.2207 1.4094 1.4094 6.3646 6.3646 7.3787 7.3787 8.1642 8.1642 8.2650 8.2650 8.5486 8.5486 10.2299 10.2299 10.7995 10.7995 11.0077 11.0077 11.7890 11.7890 k = 0.1250 0.4585 1.1863 ( 2662 PWs) bands (ev): 0.4191 0.4191 0.4681 0.4681 1.0074 1.0074 1.2268 1.2268 1.4192 1.4192 6.3973 6.3973 7.4184 7.4184 8.1422 8.1422 8.2475 8.2475 8.5330 8.5330 10.2430 10.2430 10.9079 10.9079 11.0642 11.0642 11.8177 11.8177 k = 0.1300 0.4435 1.2021 ( 2660 PWs) bands (ev): 0.4155 0.4155 0.4638 0.4638 0.9990 0.9990 1.2327 1.2327 1.4306 1.4306 6.4307 6.4307 7.4494 7.4494 8.1191 8.1191 8.2283 8.2283 8.5302 8.5302 10.2441 10.2441 11.0166 11.0166 11.1382 11.1382 11.8491 11.8491 k = 0.1350 0.4284 1.2179 ( 2664 PWs) bands (ev): 0.4112 0.4112 0.4592 0.4592 0.9904 0.9904 1.2383 1.2383 1.4435 1.4435 6.4648 6.4648 7.4706 7.4706 8.0955 8.0955 8.2079 8.2079 8.5408 8.5408 10.2355 10.2355 11.1248 11.1248 11.2269 11.2269 11.8837 11.8837 k = 0.1400 0.4134 1.2338 ( 2666 PWs) bands (ev): 0.4061 0.4061 0.4547 0.4547 0.9816 0.9816 1.2435 1.2435 1.4578 1.4578 6.4994 6.4994 7.4816 7.4816 8.0719 8.0719 8.1870 8.1870 8.5645 8.5645 10.2197 10.2197 11.2308 11.2308 11.3272 11.3272 11.9222 11.9222 k = 0.1450 0.3984 1.2496 ( 2668 PWs) bands (ev): 0.4004 0.4004 0.4503 0.4503 0.9729 0.9729 1.2483 1.2483 1.4734 1.4734 6.5344 6.5344 7.4828 7.4828 8.0485 8.0485 8.1661 8.1661 8.6007 8.6007 10.1991 10.1991 11.3327 11.3327 11.4362 11.4362 11.9656 11.9656 k = 0.1500 0.3834 1.2654 ( 2672 PWs) bands (ev): 0.3939 0.3939 0.4461 0.4461 0.9642 0.9642 1.2524 1.2524 1.4900 1.4900 6.5695 6.5695 7.4752 7.4752 8.0257 8.0257 8.1454 8.1454 8.6479 8.6479 10.1755 10.1755 11.4277 11.4277 11.5519 11.5519 12.0153 12.0153 k = 0.1550 0.3684 1.2812 ( 2672 PWs) bands (ev): 0.3870 0.3870 0.4421 0.4421 0.9558 0.9558 1.2562 1.2562 1.5075 1.5075 6.6046 6.6046 7.4605 7.4605 8.0037 8.0037 8.1249 8.1249 8.7047 8.7047 10.1503 10.1503 11.5128 11.5128 11.6723 11.6723 12.0730 12.0730 k = 0.1600 0.3534 1.2970 ( 2674 PWs) bands (ev): 0.3795 0.3795 0.4384 0.4384 0.9475 0.9475 1.2594 1.2594 1.5255 1.5255 6.6394 6.6394 7.4403 7.4403 7.9829 7.9829 8.1048 8.1048 8.7694 8.7694 10.1246 10.1246 11.5854 11.5854 11.7957 11.7957 12.1398 12.1398 k = 0.1650 0.3384 1.3128 ( 2680 PWs) bands (ev): 0.3718 0.3718 0.4349 0.4349 0.9394 0.9394 1.2622 1.2622 1.5438 1.5438 6.6737 6.6737 7.4161 7.4161 7.9633 7.9633 8.0851 8.0851 8.8404 8.8404 10.0993 10.0993 11.6442 11.6442 11.9200 11.9200 12.2160 12.2160 k = 0.1700 0.3234 1.3287 ( 2678 PWs) bands (ev): 0.3639 0.3639 0.4316 0.4316 0.9317 0.9317 1.2647 1.2647 1.5622 1.5622 6.7073 6.7073 7.3894 7.3894 7.9453 7.9453 8.0658 8.0658 8.9162 8.9162 10.0749 10.0749 11.6892 11.6892 12.0431 12.0431 12.3004 12.3004 k = 0.1750 0.3084 1.3445 ( 2680 PWs) bands (ev): 0.3559 0.3559 0.4285 0.4285 0.9244 0.9244 1.2668 1.2668 1.5805 1.5805 6.7400 6.7400 7.3611 7.3611 7.9288 7.9288 8.0471 8.0471 8.9956 8.9956 10.0518 10.0518 11.7213 11.7213 12.1610 12.1610 12.3903 12.3904 k = 0.1800 0.2934 1.3603 ( 2678 PWs) bands (ev): 0.3480 0.3480 0.4256 0.4256 0.9174 0.9174 1.2686 1.2686 1.5985 1.5985 6.7714 6.7714 7.3324 7.3324 7.9141 7.9141 8.0291 8.0291 9.0775 9.0775 10.0304 10.0304 11.7420 11.7420 12.2625 12.2625 12.4340 12.4340 k = 0.1850 0.2784 1.3761 ( 2680 PWs) bands (ev): 0.3403 0.3403 0.4227 0.4227 0.9108 0.9108 1.2702 1.2702 1.6160 1.6160 6.8013 6.8013 7.3037 7.3037 7.9011 7.9011 8.0119 8.0119 9.1609 9.1609 10.0110 10.0110 11.7528 11.7528 12.3109 12.3109 12.4738 12.4739 k = 0.1900 0.2634 1.3919 ( 2678 PWs) bands (ev): 0.3329 0.3329 0.4201 0.4201 0.9048 0.9048 1.2716 1.2716 1.6328 1.6328 6.8294 6.8294 7.2758 7.2758 7.8898 7.8898 7.9957 7.9957 9.2449 9.2449 9.9937 9.9937 11.7548 11.7548 12.3010 12.3010 12.5631 12.5631 k = 0.1950 0.2484 1.4078 ( 2684 PWs) bands (ev): 0.3257 0.3257 0.4175 0.4175 0.8991 0.8991 1.2728 1.2728 1.6487 1.6487 6.8557 6.8557 7.2490 7.2490 7.8801 7.8801 7.9807 7.9807 9.3286 9.3286 9.9786 9.9786 11.7493 11.7493 12.2717 12.2717 12.6631 12.6631 k = 0.2000 0.2334 1.4236 ( 2674 PWs) bands (ev): 0.3191 0.3191 0.4152 0.4152 0.8939 0.8939 1.2738 1.2738 1.6638 1.6638 6.8798 6.8798 7.2237 7.2237 7.8721 7.8721 7.9670 7.9670 9.4110 9.4110 9.9658 9.9658 11.7372 11.7372 12.2357 12.2357 12.7607 12.7607 k = 0.2050 0.2184 1.4394 ( 2684 PWs) bands (ev): 0.3128 0.3128 0.4130 0.4130 0.8891 0.8891 1.2747 1.2747 1.6776 1.6776 6.9017 6.9017 7.2002 7.2002 7.8653 7.8653 7.9547 7.9547 9.4914 9.4914 9.9552 9.9552 11.7197 11.7197 12.1971 12.1971 12.8522 12.8522 k = 0.2100 0.2033 1.4552 ( 2684 PWs) bands (ev): 0.3071 0.3071 0.4110 0.4110 0.8849 0.8849 1.2754 1.2754 1.6903 1.6903 6.9212 6.9212 7.1787 7.1787 7.8597 7.8597 7.9441 7.9441 9.5686 9.5686 9.9467 9.9467 11.6977 11.6977 12.1576 12.1576 12.9361 12.9361 k = 0.2150 0.1883 1.4710 ( 2684 PWs) bands (ev): 0.3020 0.3020 0.4091 0.4091 0.8812 0.8812 1.2760 1.2760 1.7017 1.7017 6.9383 6.9383 7.1594 7.1594 7.8550 7.8550 7.9352 7.9352 9.6416 9.6416 9.9402 9.9402 11.6728 11.6728 12.1189 12.1189 13.0117 13.0117 k = 0.2200 0.1733 1.4868 ( 2682 PWs) bands (ev): 0.2975 0.2975 0.4076 0.4076 0.8780 0.8780 1.2766 1.2766 1.7118 1.7118 6.9530 6.9530 7.1423 7.1423 7.8509 7.8509 7.9281 7.9281 9.7091 9.7091 9.9354 9.9354 11.6462 11.6462 12.0822 12.0822 13.0785 13.0785 k = 0.2250 0.1583 1.5027 ( 2680 PWs) bands (ev): 0.2937 0.2937 0.4062 0.4062 0.8752 0.8752 1.2770 1.2770 1.7205 1.7205 6.9654 6.9654 7.1277 7.1277 7.8474 7.8474 7.9226 7.9226 9.7698 9.7698 9.9322 9.9322 11.6195 11.6195 12.0487 12.0487 13.1359 13.1359 k = 0.2300 0.1433 1.5185 ( 2682 PWs) bands (ev): 0.2904 0.2904 0.4050 0.4050 0.8730 0.8730 1.2773 1.2773 1.7276 1.7276 6.9754 6.9754 7.1157 7.1157 7.8444 7.8444 7.9187 7.9187 9.8221 9.8221 9.9304 9.9304 11.5944 11.5944 12.0196 12.0196 13.1837 13.1837 k = 0.2350 0.1283 1.5343 ( 2682 PWs) bands (ev): 0.2879 0.2879 0.4041 0.4041 0.8712 0.8712 1.2776 1.2776 1.7332 1.7332 6.9830 6.9830 7.1062 7.1062 7.8419 7.8419 7.9160 7.9160 9.8641 9.8641 9.9300 9.9300 11.5725 11.5725 11.9959 11.9959 13.2214 13.2214 k = 0.2400 0.1133 1.5501 ( 2680 PWs) bands (ev): 0.2862 0.2862 0.4035 0.4035 0.8700 0.8700 1.2778 1.2778 1.7372 1.7372 6.9885 6.9885 7.0994 7.0994 7.8400 7.8400 7.9143 7.9143 9.8936 9.8936 9.9318 9.9318 11.5555 11.5555 11.9783 11.9783 13.2487 13.2487 k = 0.2450 0.0983 1.5659 ( 2684 PWs) bands (ev): 0.2850 0.2850 0.4030 0.4030 0.8692 0.8692 1.2779 1.2779 1.7395 1.7395 6.9918 6.9918 7.0953 7.0953 7.8389 7.8389 7.9134 7.9134 9.9087 9.9087 9.9361 9.9361 11.5447 11.5447 11.9675 11.9675 13.2652 13.2652 k = 0.2500 0.0833 1.5817 ( 2692 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7402 1.7402 6.9928 6.9928 7.0939 7.0939 7.8385 7.8385 7.9131 7.9131 9.9125 9.9125 9.9389 9.9389 11.5410 11.5410 11.9639 11.9639 13.2708 13.2708 k = 0.2500 0.0833 1.5817 ( 2692 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7402 1.7402 6.9928 6.9928 7.0939 7.0939 7.8385 7.8385 7.9131 7.9131 9.9125 9.9125 9.9389 9.9389 11.5410 11.5410 11.9639 11.9639 13.2708 13.2708 k = 0.2692 0.0897 1.5750 ( 2686 PWs) bands (ev): 0.2847 0.2847 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7403 1.7403 6.9927 6.9927 7.0941 7.0941 7.8213 7.8213 7.9334 7.9334 9.8157 9.8157 10.0369 10.0369 11.5330 11.5330 11.9763 11.9763 13.1735 13.1735 k = 0.2885 0.0961 1.5682 ( 2684 PWs) bands (ev): 0.2848 0.2848 0.4030 0.4030 0.8691 0.8691 1.2779 1.2779 1.7401 1.7401 6.9922 6.9922 7.0949 7.0949 7.7904 7.7904 7.9736 7.9736 9.7080 9.7080 10.1484 10.1484 11.5118 11.5118 12.0107 12.0107 13.0403 13.0403 k = 0.3077 0.1025 1.5615 ( 2684 PWs) bands (ev): 0.2849 0.2849 0.4030 0.4030 0.8692 0.8692 1.2779 1.2779 1.7397 1.7397 6.9916 6.9916 7.0960 7.0960 7.7593 7.7593 8.0200 8.0200 9.6010 9.6010 10.2619 10.2619 11.4833 11.4833 12.0610 12.0610 12.9044 12.9044 k = 0.3269 0.1089 1.5547 ( 2682 PWs) bands (ev): 0.2852 0.2852 0.4031 0.4031 0.8693 0.8693 1.2780 1.2780 1.7392 1.7392 6.9910 6.9910 7.0976 7.0976 7.7304 7.7304 8.0699 8.0699 9.4952 9.4952 10.3767 10.3767 11.4523 11.4523 12.1219 12.1219 12.7682 12.7682 k = 0.3462 0.1153 1.5480 ( 2683 PWs) bands (ev): 0.2855 0.2855 0.4032 0.4032 0.8696 0.8696 1.2780 1.2780 1.7385 1.7385 6.9903 6.9903 7.0995 7.0995 7.7046 7.7046 8.1223 8.1223 9.3908 9.3908 10.4927 10.4927 11.4221 11.4221 12.1896 12.1896 12.6325 12.6325 k = 0.3654 0.1217 1.5412 ( 2687 PWs) bands (ev): 0.2858 0.2858 0.4033 0.4033 0.8698 0.8698 1.2778 1.2778 1.7377 1.7377 6.9898 6.9898 7.1017 7.1017 7.6820 7.6820 8.1767 8.1767 9.2883 9.2883 10.6094 10.6094 11.3949 11.3949 12.2607 12.2607 12.4986 12.4986 k = 0.3846 0.1282 1.5345 ( 2684 PWs) bands (ev): 0.2863 0.2863 0.4035 0.4035 0.8701 0.8701 1.2778 1.2778 1.7368 1.7368 6.9894 6.9894 7.1042 7.1042 7.6628 7.6628 8.2326 8.2326 9.1880 9.1880 10.7264 10.7264 11.3717 11.3717 12.3247 12.3247 12.3752 12.3752 k = 0.4038 0.1346 1.5277 ( 2688 PWs) bands (ev): 0.2868 0.2868 0.4036 0.4036 0.8705 0.8705 1.2777 1.2777 1.7357 1.7357 6.9892 6.9892 7.1068 7.1068 7.6471 7.6471 8.2896 8.2896 9.0904 9.0904 10.8427 10.8427 11.3534 11.3534 12.2310 12.2310 12.4113 12.4113 k = 0.4231 0.1410 1.5210 ( 2695 PWs) bands (ev): 0.2873 0.2873 0.4038 0.4038 0.8708 0.8708 1.2777 1.2777 1.7344 1.7344 6.9892 6.9892 7.1096 7.1096 7.6349 7.6349 8.3469 8.3469 8.9963 8.9963 10.9569 10.9569 11.3404 11.3404 12.1062 12.1062 12.4790 12.4790 k = 0.4423 0.1474 1.5142 ( 2695 PWs) bands (ev): 0.2879 0.2879 0.4041 0.4041 0.8713 0.8713 1.2776 1.2776 1.7330 1.7330 6.9894 6.9894 7.1125 7.1125 7.6263 7.6263 8.4031 8.4031 8.9073 8.9073 11.0664 11.0664 11.3329 11.3329 11.9875 11.9875 12.5402 12.5402 k = 0.4615 0.1538 1.5075 ( 2697 PWs) bands (ev): 0.2886 0.2886 0.4043 0.4043 0.8718 0.8718 1.2775 1.2775 1.7314 1.7314 6.9897 6.9897 7.1155 7.1155 7.6213 7.6213 8.4549 8.4549 8.8265 8.8265 11.1654 11.1654 11.3310 11.3310 11.8813 11.8813 12.5898 12.5898 k = 0.4808 0.1602 1.5007 ( 2692 PWs) bands (ev): 0.2894 0.2894 0.4046 0.4046 0.8723 0.8723 1.2775 1.2775 1.7298 1.7298 6.9901 6.9901 7.1184 7.1184 7.6198 7.6198 8.4940 8.4940 8.7626 8.7626 11.2415 11.2415 11.3344 11.3344 11.8004 11.8004 12.6231 12.6231 k = 0.5000 0.1666 1.4939 ( 2690 PWs) bands (ev): 0.2903 0.2903 0.4050 0.4050 0.8730 0.8730 1.2774 1.2774 1.7280 1.7280 6.9906 6.9906 7.1214 7.1214 7.6219 7.6219 8.5005 8.5005 8.7356 8.7356 11.2708 11.2708 11.3434 11.3434 11.7683 11.7683 12.6359 12.6359 k = 0.5000 0.1666 1.4939 ( 2690 PWs) bands (ev): 0.2903 0.2903 0.4050 0.4050 0.8730 0.8730 1.2774 1.2774 1.7280 1.7280 6.9906 6.9906 7.1214 7.1214 7.6219 7.6219 8.5005 8.5005 8.7356 8.7356 11.2708 11.2708 11.3434 11.3434 11.7683 11.7683 12.6359 12.6359 k = 0.5000 0.1666 1.4716 ( 2686 PWs) bands (ev): 0.2935 0.2935 0.4062 0.4062 0.8753 0.8753 1.2771 1.2771 1.7210 1.7210 6.9915 6.9915 7.1322 7.1322 7.6362 7.6362 8.4410 8.4410 8.7291 8.7291 11.2597 11.2597 11.3885 11.3885 11.7684 11.7684 12.6430 12.6430 k = 0.5000 0.1666 1.4493 ( 2690 PWs) bands (ev): 0.2974 0.2974 0.4077 0.4077 0.8780 0.8780 1.2767 1.2767 1.7125 1.7125 6.9912 6.9912 7.1454 7.1454 7.6536 7.6536 8.3741 8.3741 8.7214 8.7214 11.2459 11.2459 11.4382 11.4382 11.7686 11.7686 12.6512 12.6512 k = 0.5000 0.1666 1.4271 ( 2690 PWs) bands (ev): 0.3019 0.3019 0.4094 0.4094 0.8813 0.8813 1.2762 1.2762 1.7025 1.7025 6.9886 6.9886 7.1606 7.1606 7.6742 7.6742 8.3028 8.3028 8.7126 8.7126 11.2294 11.2294 11.4898 11.4898 11.7686 11.7686 12.6602 12.6602 k = 0.5000 0.1666 1.4048 ( 2682 PWs) bands (ev): 0.3072 0.3072 0.4115 0.4115 0.8851 0.8851 1.2758 1.2758 1.6912 1.6912 6.9823 6.9823 7.1779 7.1779 7.6978 7.6978 8.2300 8.2300 8.7029 8.7029 11.2100 11.2100 11.5412 11.5412 11.7686 11.7686 12.6698 12.6698 k = 0.5000 0.1666 1.3825 ( 2686 PWs) bands (ev): 0.3130 0.3130 0.4137 0.4137 0.8894 0.8894 1.2751 1.2751 1.6785 1.6785 6.9706 6.9706 7.1971 7.1971 7.7242 7.7242 8.1591 8.1591 8.6925 8.6925 11.1876 11.1876 11.5901 11.5901 11.7686 11.7686 12.6794 12.6794 k = 0.5000 0.1666 1.3602 ( 2682 PWs) bands (ev): 0.3194 0.3194 0.4162 0.4162 0.8942 0.8942 1.2744 1.2744 1.6646 1.6646 6.9515 6.9515 7.2178 7.2178 7.7535 7.7535 8.0935 8.0935 8.6815 8.6815 11.1622 11.1622 11.6347 11.6347 11.7686 11.7686 12.6886 12.6886 k = 0.5000 0.1666 1.3379 ( 2682 PWs) bands (ev): 0.3263 0.3263 0.4189 0.4189 0.8995 0.8995 1.2735 1.2735 1.6495 1.6495 6.9229 6.9229 7.2400 7.2400 7.7854 7.7854 8.0364 8.0364 8.6701 8.6701 11.1336 11.1336 11.6729 11.6729 11.7692 11.7692 12.6967 12.6967 k = 0.5000 0.1666 1.3156 ( 2682 PWs) bands (ev): 0.3338 0.3338 0.4218 0.4218 0.9052 0.9052 1.2726 1.2726 1.6332 1.6332 6.8829 6.8829 7.2634 7.2634 7.8195 7.8195 7.9908 7.9908 8.6587 8.6587 11.1018 11.1018 11.7025 11.7025 11.7716 11.7716 12.7029 12.7029 k = 0.5000 0.1666 1.2933 ( 2676 PWs) bands (ev): 0.3418 0.3418 0.4250 0.4250 0.9115 0.9115 1.2715 1.2715 1.6159 1.6159 6.8304 6.8304 7.2875 7.2875 7.8550 7.8550 7.9597 7.9597 8.6474 8.6474 11.0668 11.0668 11.7207 11.7207 11.7779 11.7779 12.7060 12.7060 k = 0.5000 0.1666 1.2710 ( 2668 PWs) bands (ev): 0.3502 0.3502 0.4284 0.4284 0.9183 0.9183 1.2703 1.2703 1.5977 1.5977 6.7651 6.7651 7.3121 7.3121 7.8882 7.8882 7.9471 7.9471 8.6365 8.6365 11.0285 11.0285 11.7271 11.7271 11.7877 11.7877 12.7044 12.7044 k = 0.5000 0.1666 1.2487 ( 2672 PWs) bands (ev): 0.3589 0.3589 0.4319 0.4319 0.9255 0.9255 1.2689 1.2689 1.5784 1.5784 6.6881 6.6881 7.3367 7.3367 7.9092 7.9092 7.9626 7.9626 8.6263 8.6263 10.9869 10.9869 11.7256 11.7256 11.7969 11.7969 12.6952 12.6952 k = 0.5000 0.1666 1.2264 ( 2672 PWs) bands (ev): 0.3678 0.3678 0.4357 0.4357 0.9331 0.9331 1.2674 1.2674 1.5586 1.5586 6.6008 6.6008 7.3609 7.3609 7.9228 7.9228 8.0001 8.0001 8.6170 8.6170 10.9421 10.9421 11.7194 11.7194 11.8022 11.8022 12.6744 12.6744 k = 0.5000 0.1666 1.2041 ( 2680 PWs) bands (ev): 0.3769 0.3769 0.4395 0.4395 0.9411 0.9411 1.2657 1.2657 1.5381 1.5381 6.5050 6.5050 7.3841 7.3841 7.9415 7.9415 8.0454 8.0454 8.6091 8.6091 10.8942 10.8942 11.7097 11.7097 11.8023 11.8023 12.6364 12.6364 k = 0.5000 0.1666 1.1818 ( 2680 PWs) bands (ev): 0.3862 0.3862 0.4434 0.4434 0.9495 0.9495 1.2639 1.2639 1.5172 1.5172 6.4027 6.4027 7.4058 7.4058 7.9676 7.9676 8.0945 8.0945 8.6028 8.6028 10.8432 10.8432 11.6968 11.6968 11.7969 11.7969 12.5773 12.5773 k = 0.5000 0.1666 1.1595 ( 2674 PWs) bands (ev): 0.3957 0.3957 0.4476 0.4476 0.9584 0.9584 1.2619 1.2619 1.4960 1.4960 6.2955 6.2955 7.4252 7.4252 8.0005 8.0005 8.1463 8.1463 8.5985 8.5985 10.7893 10.7893 11.6806 11.6806 11.7862 11.7862 12.4981 12.4981 k = 0.5000 0.1666 1.1372 ( 2674 PWs) bands (ev): 0.4050 0.4050 0.4520 0.4520 0.9678 0.9678 1.2597 1.2597 1.4743 1.4743 6.1848 6.1848 7.4417 7.4417 8.0392 8.0392 8.2004 8.2004 8.5965 8.5966 10.7327 10.7327 11.6608 11.6608 11.7705 11.7705 12.4051 12.4051 k = 0.5000 0.1666 1.1149 ( 2674 PWs) bands (ev): 0.4143 0.4143 0.4565 0.4565 0.9775 0.9775 1.2573 1.2573 1.4524 1.4524 6.0716 6.0716 7.4544 7.4544 8.0826 8.0826 8.2565 8.2565 8.5974 8.5974 10.6736 10.6736 11.6373 11.6373 11.7503 11.7503 12.3054 12.3054 k = 0.5000 0.1666 1.0926 ( 2678 PWs) bands (ev): 0.4233 0.4233 0.4612 0.4612 0.9876 0.9876 1.2546 1.2546 1.4304 1.4304 5.9569 5.9569 7.4628 7.4628 8.1299 8.1299 8.3146 8.3146 8.6013 8.6013 10.6122 10.6122 11.6096 11.6096 11.7260 11.7260 12.2043 12.2043 k = 0.5000 0.1666 1.0703 ( 2686 PWs) bands (ev): 0.4319 0.4319 0.4660 0.4660 0.9981 0.9981 1.2518 1.2518 1.4084 1.4084 5.8413 5.8413 7.4660 7.4660 8.1800 8.1800 8.3744 8.3744 8.6085 8.6085 10.5487 10.5487 11.5776 11.5776 11.6981 11.6981 12.1053 12.1053 k = 0.5000 0.1666 1.0480 ( 2676 PWs) bands (ev): 0.4402 0.4402 0.4711 0.4711 1.0090 1.0090 1.2487 1.2487 1.3869 1.3869 5.7256 5.7256 7.4634 7.4634 8.2324 8.2324 8.4358 8.4358 8.6194 8.6194 10.4833 10.4833 11.5410 11.5410 11.6673 11.6673 12.0109 12.0109 k = 0.5000 0.1666 1.0257 ( 2672 PWs) bands (ev): 0.4478 0.4478 0.4765 0.4765 1.0202 1.0202 1.2454 1.2454 1.3657 1.3657 5.6100 5.6100 7.4544 7.4544 8.2860 8.2860 8.4986 8.4986 8.6341 8.6341 10.4165 10.4165 11.4997 11.4997 11.6341 11.6341 11.9226 11.9226 k = 0.5000 0.1666 1.0034 ( 2668 PWs) bands (ev): 0.4547 0.4547 0.4820 0.4820 1.0317 1.0317 1.2418 1.2418 1.3451 1.3451 5.4951 5.4951 7.4387 7.4387 8.3402 8.3402 8.5625 8.5625 8.6527 8.6527 10.3484 10.3484 11.4539 11.4539 11.5995 11.5995 11.8415 11.8415 k = 0.5000 0.1666 0.9811 ( 2668 PWs) bands (ev): 0.4609 0.4609 0.4875 0.4875 1.0435 1.0435 1.2376 1.2376 1.3251 1.3251 5.3812 5.3812 7.4158 7.4158 8.3942 8.3942 8.6268 8.6268 8.6757 8.6757 10.2794 10.2794 11.4035 11.4035 11.5641 11.5641 11.7684 11.7684 k = 0.5000 0.1666 0.9588 ( 2662 PWs) bands (ev): 0.4665 0.4665 0.4931 0.4931 1.0555 1.0555 1.2330 1.2330 1.3064 1.3064 5.2684 5.2684 7.3857 7.3857 8.4470 8.4470 8.6864 8.6864 8.7079 8.7079 10.2098 10.2098 11.3490 11.3490 11.5290 11.5290 11.7040 11.7040 k = 0.5000 0.1666 0.9365 ( 2666 PWs) bands (ev): 0.4713 0.4713 0.4984 0.4984 1.0678 1.0678 1.2275 1.2275 1.2890 1.2890 5.1571 5.1571 7.3485 7.3485 8.4980 8.4980 8.7243 8.7243 8.7657 8.7657 10.1400 10.1400 11.2905 11.2905 11.4952 11.4952 11.6486 11.6486 k = 0.5000 0.1666 0.9142 ( 2664 PWs) bands (ev): 0.4756 0.4756 0.5033 0.5033 1.0803 1.0803 1.2207 1.2207 1.2737 1.2737 5.0474 5.0474 7.3041 7.3041 8.5460 8.5460 8.7572 8.7572 8.8319 8.8319 10.0704 10.0704 11.2285 11.2285 11.4638 11.4638 11.6024 11.6024 k = 0.5000 0.1666 0.8919 ( 2664 PWs) bands (ev): 0.4793 0.4793 0.5077 0.5077 1.0928 1.0928 1.2124 1.2124 1.2609 1.2609 4.9396 4.9396 7.2530 7.2530 8.5904 8.5904 8.7920 8.7920 8.8990 8.8990 10.0015 10.0015 11.1633 11.1633 11.4359 11.4359 11.5655 11.5655 k = 0.5000 0.1666 0.8696 ( 2664 PWs) bands (ev): 0.4825 0.4825 0.5114 0.5114 1.1054 1.1054 1.2024 1.2024 1.2510 1.2510 4.8336 4.8336 7.1954 7.1954 8.6300 8.6300 8.8289 8.8289 8.9657 8.9657 9.9341 9.9341 11.0953 11.0953 11.4127 11.4127 11.5377 11.5377 k = 0.5000 0.1666 0.8473 ( 2664 PWs) bands (ev): 0.4852 0.4852 0.5143 0.5143 1.1179 1.1179 1.1913 1.1913 1.2436 1.2436 4.7298 4.7298 7.1317 7.1317 8.6642 8.6642 8.8680 8.8680 9.0311 9.0311 9.8690 9.8690 11.0249 11.0249 11.3950 11.3950 11.5190 11.5190 k = 0.5000 0.1666 0.8250 ( 2666 PWs) bands (ev): 0.4873 0.4873 0.5164 0.5164 1.1301 1.1301 1.1797 1.1797 1.2382 1.2382 4.6281 4.6281 7.0626 7.0626 8.6920 8.6920 8.9090 8.9090 9.0938 9.0938 9.8077 9.8077 10.9526 10.9526 11.3837 11.3837 11.5087 11.5087 k = 0.5000 0.1666 0.8027 ( 2672 PWs) bands (ev): 0.4886 0.4886 0.5176 0.5176 1.1418 1.1418 1.1684 1.1684 1.2345 1.2345 4.5287 4.5287 6.9884 6.9884 8.7128 8.7128 8.9520 8.9520 9.1513 9.1513 9.7526 9.7526 10.8788 10.8788 11.3793 11.3793 11.5064 11.5064 k = 0.5000 0.1666 0.7804 ( 2680 PWs) bands (ev): 0.4892 0.4892 0.5180 0.5180 1.1527 1.1527 1.1577 1.1577 1.2323 1.2323 4.4316 4.4316 6.9099 6.9099 8.7260 8.7260 8.9969 8.9969 9.1998 9.1998 9.7078 9.7078 10.8040 10.8040 11.3819 11.3819 11.5114 11.5114 k = 0.5000 0.1666 0.7581 ( 2672 PWs) bands (ev): 0.4890 0.4890 0.5179 0.5179 1.1482 1.1482 1.1623 1.1623 1.2322 1.2322 4.3370 4.3370 6.8275 6.8275 8.7313 8.7313 9.0435 9.0435 9.2331 9.2331 9.6795 9.6795 10.7286 10.7286 11.3913 11.3913 11.5226 11.5226 k = 0.5000 0.1666 0.7358 ( 2668 PWs) bands (ev): 0.4876 0.4876 0.5174 0.5174 1.1397 1.1397 1.1698 1.1698 1.2345 1.2345 4.2449 4.2449 6.7419 6.7419 8.7288 8.7288 9.0919 9.0919 9.2447 9.2447 9.6743 9.6743 10.6530 10.6530 11.4068 11.4068 11.5390 11.5390 k = 0.5000 0.1666 0.7135 ( 2672 PWs) bands (ev): 0.4850 0.4850 0.5163 0.5163 1.1324 1.1324 1.1747 1.1747 1.2395 1.2395 4.1554 4.1554 6.6537 6.6537 8.7187 8.7187 9.1411 9.1411 9.2333 9.2333 9.6945 9.6945 10.5776 10.5776 11.4271 11.4271 11.5596 11.5596 k = 0.5000 0.1666 0.6912 ( 2672 PWs) bands (ev): 0.4810 0.4810 0.5152 0.5152 1.1264 1.1264 1.1773 1.1773 1.2471 1.2471 4.0685 4.0685 6.5634 6.5634 8.7014 8.7014 9.1793 9.1793 9.2157 9.2157 9.7349 9.7349 10.5026 10.5026 11.4504 11.4504 11.5830 11.5830 k = 0.5000 0.1666 0.6689 ( 2676 PWs) bands (ev): 0.4757 0.4757 0.5139 0.5139 1.1216 1.1216 1.1780 1.1780 1.2567 1.2567 3.9842 3.9842 6.4716 6.4716 8.6775 8.6775 9.1501 9.1501 9.2556 9.2556 9.7885 9.7885 10.4284 10.4284 11.4743 11.4743 11.6078 11.6078 k = 0.5000 0.1666 0.6466 ( 2674 PWs) bands (ev): 0.4692 0.4692 0.5125 0.5125 1.1179 1.1179 1.1775 1.1775 1.2677 1.2677 3.9026 3.9026 6.3789 6.3789 8.6479 8.6479 9.1009 9.1009 9.3108 9.3108 9.8498 9.8498 10.3553 10.3553 11.4965 11.4965 11.6324 11.6324 k = 0.5000 0.1666 0.6243 ( 2676 PWs) bands (ev): 0.4615 0.4615 0.5109 0.5109 1.1154 1.1154 1.1763 1.1763 1.2794 1.2794 3.8238 3.8238 6.2856 6.2856 8.6132 8.6132 9.0473 9.0473 9.3691 9.3691 9.9156 9.9156 10.2834 10.2834 11.5146 11.5146 11.6554 11.6554 k = 0.5000 0.1666 0.6020 ( 2678 PWs) bands (ev): 0.4529 0.4529 0.5090 0.5090 1.1138 1.1138 1.1747 1.1747 1.2916 1.2916 3.7478 3.7478 6.1923 6.1923 8.5745 8.5745 8.9920 8.9920 9.4298 9.4298 9.9835 9.9835 10.2133 10.2133 11.5270 11.5270 11.6751 11.6751 k = 0.5000 0.1666 0.5797 ( 2678 PWs) bands (ev): 0.4435 0.4435 0.5069 0.5069 1.1131 1.1131 1.1730 1.1730 1.3040 1.3040 3.6745 3.6745 6.0993 6.0993 8.5324 8.5324 8.9362 8.9362 9.4926 9.4926 10.0512 10.0512 10.1464 10.1464 11.5330 11.5330 11.6905 11.6905 k = 0.5000 0.1666 0.5574 ( 2678 PWs) bands (ev): 0.4335 0.4335 0.5045 0.5045 1.1133 1.1133 1.1713 1.1713 1.3164 1.3164 3.6041 3.6041 6.0071 6.0071 8.4879 8.4879 8.8807 8.8807 9.5574 9.5574 10.0694 10.0694 10.1312 10.1312 11.5326 11.5326 11.7008 11.7008 k = 0.5000 0.1666 0.5351 ( 2678 PWs) bands (ev): 0.4230 0.4230 0.5018 0.5018 1.1142 1.1142 1.1697 1.1697 1.3288 1.3288 3.5365 3.5365 5.9161 5.9161 8.4415 8.4415 8.8260 8.8260 9.6243 9.6243 10.0080 10.0080 10.1975 10.1975 11.5267 11.5267 11.7061 11.7061 k = 0.5000 0.1666 0.5128 ( 2686 PWs) bands (ev): 0.4121 0.4121 0.4988 0.4988 1.1156 1.1156 1.1683 1.1683 1.3409 1.3409 3.4717 3.4717 5.8266 5.8266 8.3939 8.3939 8.7726 8.7726 9.6931 9.6931 9.9452 9.9452 10.2668 10.2668 11.5164 11.5164 11.7067 11.7067 k = 0.5000 0.1666 0.4905 ( 2694 PWs) bands (ev): 0.4010 0.4010 0.4953 0.4953 1.1175 1.1175 1.1670 1.1670 1.3528 1.3528 3.4098 3.4098 5.7388 5.7388 8.3457 8.3457 8.7205 8.7205 9.7638 9.7638 9.8841 9.8841 10.3358 10.3358 11.5026 11.5026 11.7029 11.7029 k = 0.5000 0.1666 0.4683 ( 2686 PWs) bands (ev): 0.3899 0.3899 0.4917 0.4917 1.1199 1.1199 1.1661 1.1661 1.3645 1.3645 3.3507 3.3507 5.6531 5.6531 8.2974 8.2974 8.6701 8.6701 9.8250 9.8250 9.8362 9.8362 10.4039 10.4039 11.4865 11.4865 11.6956 11.6956 k = 0.5000 0.1666 0.4460 ( 2690 PWs) bands (ev): 0.3787 0.3787 0.4878 0.4878 1.1225 1.1225 1.1655 1.1655 1.3758 1.3758 3.2945 3.2945 5.5698 5.5698 8.2496 8.2496 8.6214 8.6214 9.7681 9.7681 9.9101 9.9101 10.4707 10.4707 11.4689 11.4689 11.6854 11.6854 k = 0.5000 0.1666 0.4237 ( 2690 PWs) bands (ev): 0.3676 0.3676 0.4837 0.4837 1.1253 1.1253 1.1652 1.1652 1.3868 1.3868 3.2412 3.2412 5.4891 5.4891 8.2024 8.2024 8.5747 8.5747 9.7136 9.7136 9.9856 9.9856 10.5360 10.5360 11.4503 11.4503 11.6729 11.6729 k = 0.5000 0.1666 0.4014 ( 2698 PWs) bands (ev): 0.3566 0.3566 0.4793 0.4793 1.1280 1.1280 1.1653 1.1653 1.3973 1.3973 3.1907 3.1907 5.4112 5.4112 8.1564 8.1564 8.5299 8.5299 9.6614 9.6614 10.0622 10.0622 10.5995 10.5995 11.4314 11.4314 11.6589 11.6589 k = 0.5000 0.1666 0.3791 ( 2698 PWs) bands (ev): 0.3459 0.3459 0.4747 0.4747 1.1308 1.1308 1.1658 1.1658 1.4074 1.4074 3.1430 3.1430 5.3363 5.3363 8.1117 8.1117 8.4872 8.4872 9.6118 9.6118 10.1399 10.1399 10.6610 10.6610 11.4125 11.4125 11.6440 11.6440 k = 0.5000 0.1666 0.3568 ( 2694 PWs) bands (ev): 0.3356 0.3356 0.4701 0.4701 1.1335 1.1335 1.1668 1.1668 1.4171 1.4171 3.0982 3.0982 5.2646 5.2646 8.0687 8.0687 8.4466 8.4466 9.5647 9.5647 10.2184 10.2184 10.7202 10.7202 11.3940 11.3940 11.6286 11.6286 k = 0.5000 0.1666 0.3345 ( 2694 PWs) bands (ev): 0.3256 0.3256 0.4654 0.4654 1.1360 1.1360 1.1682 1.1682 1.4263 1.4263 3.0563 3.0563 5.1964 5.1964 8.0276 8.0276 8.4082 8.4082 9.5202 9.5202 10.2972 10.2972 10.7769 10.7769 11.3761 11.3761 11.6132 11.6132 k = 0.5000 0.1666 0.3122 ( 2698 PWs) bands (ev): 0.3161 0.3161 0.4606 0.4606 1.1382 1.1382 1.1699 1.1699 1.4349 1.4349 3.0171 3.0171 5.1317 5.1317 7.9884 7.9884 8.3722 8.3722 9.4784 9.4784 10.3761 10.3761 10.8309 10.8309 11.3590 11.3590 11.5982 11.5982 k = 0.5000 0.1666 0.2899 ( 2702 PWs) bands (ev): 0.3070 0.3070 0.4559 0.4559 1.1401 1.1401 1.1720 1.1720 1.4431 1.4431 2.9807 2.9807 5.0708 5.0708 7.9515 7.9515 8.3384 8.3384 9.4392 9.4392 10.4546 10.4546 10.8820 10.8820 11.3429 11.3429 11.5841 11.5841 k = 0.5000 0.1666 0.2676 ( 2702 PWs) bands (ev): 0.2985 0.2985 0.4512 0.4512 1.1418 1.1418 1.1744 1.1744 1.4507 1.4507 2.9471 2.9471 5.0137 5.0137 7.9169 7.9169 8.3069 8.3069 9.4029 9.4029 10.5320 10.5320 10.9298 10.9298 11.3280 11.3280 11.5711 11.5711 k = 0.5000 0.1666 0.2453 ( 2702 PWs) bands (ev): 0.2905 0.2905 0.4468 0.4468 1.1433 1.1433 1.1770 1.1770 1.4578 1.4578 2.9163 2.9163 4.9607 4.9607 7.8848 7.8848 8.2779 8.2779 9.3693 9.3693 10.6078 10.6078 10.9742 10.9742 11.3144 11.3144 11.5596 11.5596 k = 0.5000 0.1666 0.2230 ( 2702 PWs) bands (ev): 0.2831 0.2831 0.4425 0.4425 1.1445 1.1445 1.1797 1.1797 1.4643 1.4643 2.8883 2.8883 4.9119 4.9119 7.8552 7.8552 8.2513 8.2513 9.3385 9.3385 10.6812 10.6812 11.0150 11.0150 11.3022 11.3022 11.5499 11.5499 k = 0.5000 0.1666 0.2007 ( 2702 PWs) bands (ev): 0.2763 0.2763 0.4384 0.4384 1.1456 1.1456 1.1824 1.1824 1.4702 1.4702 2.8629 2.8629 4.8673 4.8673 7.8282 7.8282 8.2271 8.2271 9.3105 9.3105 10.7511 10.7511 11.0518 11.0518 11.2918 11.2918 11.5424 11.5424 k = 0.5000 0.1666 0.1784 ( 2690 PWs) bands (ev): 0.2703 0.2703 0.4348 0.4348 1.1466 1.1466 1.1851 1.1851 1.4756 1.4756 2.8403 2.8403 4.8272 4.8272 7.8039 7.8039 8.2055 8.2055 9.2855 9.2855 10.8167 10.8167 11.0843 11.0843 11.2832 11.2832 11.5373 11.5373 k = 0.5000 0.1666 0.1561 ( 2686 PWs) bands (ev): 0.2649 0.2649 0.4314 0.4314 1.1475 1.1475 1.1876 1.1876 1.4803 1.4803 2.8204 2.8204 4.7915 4.7915 7.7824 7.7824 8.1863 8.1863 9.2633 9.2633 10.8766 10.8766 11.1125 11.1125 11.2768 11.2768 11.5349 11.5349 k = 0.5000 0.1666 0.1338 ( 2694 PWs) bands (ev): 0.2600 0.2600 0.4282 0.4282 1.1481 1.1481 1.1898 1.1898 1.4844 1.4844 2.8032 2.8032 4.7604 4.7604 7.7636 7.7636 8.1696 8.1696 9.2440 9.2440 10.9298 10.9298 11.1359 11.1359 11.2727 11.2727 11.5351 11.5351 k = 0.5000 0.1666 0.1115 ( 2690 PWs) bands (ev): 0.2560 0.2560 0.4256 0.4256 1.1487 1.1487 1.1918 1.1918 1.4879 1.4879 2.7887 2.7887 4.7339 4.7339 7.7477 7.7477 8.1555 8.1555 9.2277 9.2277 10.9751 10.9751 11.1546 11.1546 11.2710 11.2710 11.5377 11.5377 k = 0.5000 0.1666 0.0892 ( 2694 PWs) bands (ev): 0.2527 0.2527 0.4234 0.4234 1.1491 1.1491 1.1934 1.1934 1.4907 1.4907 2.7768 2.7768 4.7121 4.7121 7.7346 7.7346 8.1439 8.1439 9.2143 9.2143 11.0118 11.0118 11.1687 11.1687 11.2715 11.2715 11.5422 11.5422 k = 0.5000 0.1666 0.0669 ( 2704 PWs) bands (ev): 0.2500 0.2500 0.4215 0.4215 1.1494 1.1494 1.1947 1.1947 1.4928 1.4928 2.7675 2.7675 4.6952 4.6952 7.7244 7.7244 8.1349 8.1349 9.2039 9.2039 11.0395 11.0395 11.1789 11.1789 11.2735 11.2735 11.5477 11.5477 k = 0.5000 0.1666 0.0446 ( 2702 PWs) bands (ev): 0.2482 0.2482 0.4203 0.4203 1.1497 1.1497 1.1957 1.1957 1.4944 1.4944 2.7610 2.7610 4.6830 4.6830 7.7172 7.7172 8.1285 8.1285 9.1965 9.1965 11.0586 11.0586 11.1856 11.1856 11.2761 11.2761 11.5529 11.5529 k = 0.5000 0.1666 0.0223 ( 2690 PWs) bands (ev): 0.2472 0.2472 0.4196 0.4196 1.1499 1.1499 1.1964 1.1964 1.4954 1.4954 2.7570 2.7570 4.6757 4.6757 7.7128 7.7128 8.1246 8.1246 9.1920 9.1920 11.0696 11.0696 11.1894 11.1894 11.2781 11.2781 11.5566 11.5566 k = 0.5000 0.1666 0.0000 ( 2688 PWs) bands (ev): 0.2469 0.2469 0.4194 0.4194 1.1500 1.1500 1.1966 1.1966 1.4958 1.4958 2.7557 2.7557 4.6733 4.6733 7.7113 7.7113 8.1233 8.1233 9.1905 9.1905 11.0732 11.0732 11.1907 11.1907 11.2788 11.2788 11.5580 11.5580 k = 0.0000 0.0000 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4028 0.4028 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9865 6.9865 7.1021 7.1021 7.5961 7.5961 8.6166 8.6166 8.7480 8.7480 11.2528 11.2528 11.2896 11.2896 11.7672 11.7672 12.6226 12.6226 k = 0.0208 0.0069 1.5817 ( 2688 PWs) bands (ev): 0.2846 0.2846 0.4028 0.4028 0.8690 0.8690 1.2779 1.2779 1.7404 1.7404 6.9866 6.9866 7.1020 7.1020 7.5981 7.5981 8.5752 8.5752 8.7925 8.7925 11.2444 11.2444 11.2625 11.2625 11.8070 11.8070 12.6093 12.6093 k = 0.0417 0.0139 1.5817 ( 2696 PWs) bands (ev): 0.2846 0.2846 0.4027 0.4027 0.8689 0.8689 1.2779 1.2779 1.7403 1.7403 6.9869 6.9869 7.1016 7.1016 7.6039 7.6039 8.5034 8.5034 8.8735 8.8735 11.1574 11.1574 11.2674 11.2674 11.9023 11.9023 12.5719 12.5719 k = 0.0625 0.0208 1.5817 ( 2694 PWs) bands (ev): 0.2846 0.2846 0.4028 0.4028 0.8689 0.8689 1.2779 1.2779 1.7404 1.7404 6.9874 6.9874 7.1010 7.1010 7.6135 7.6135 8.4286 8.4286 8.9638 8.9638 11.0437 11.0437 11.2821 11.2821 12.0228 12.0228 12.5161 12.5161 k = 0.0833 0.0278 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9880 6.9880 7.1001 7.1001 7.6270 7.6270 8.3553 8.3553 9.0587 9.0587 10.9210 10.9210 11.3027 11.3027 12.1545 12.1545 12.4484 12.4484 k = 0.1042 0.0347 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9888 6.9888 7.0992 7.0992 7.6442 7.6442 8.2845 8.2845 9.1573 9.1573 10.7948 10.7948 11.3288 11.3288 12.2889 12.2889 12.3771 12.3771 k = 0.1250 0.0416 1.5817 ( 2686 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9896 6.9896 7.0981 7.0981 7.6652 7.6652 8.2168 8.2168 9.2590 9.2590 10.6676 10.6676 11.3597 11.3597 12.2904 12.2904 12.4393 12.4393 k = 0.1458 0.0486 1.5817 ( 2680 PWs) bands (ev): 0.2847 0.2847 0.4029 0.4029 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9904 6.9904 7.0970 7.0970 7.6899 7.6899 8.1524 8.1524 9.3637 9.3637 10.5405 10.5405 11.3946 11.3946 12.2146 12.2146 12.5816 12.5816 k = 0.1667 0.0555 1.5817 ( 2676 PWs) bands (ev): 0.2847 0.2847 0.4030 0.4030 0.8690 0.8690 1.2781 1.2781 1.7404 1.7404 6.9912 6.9912 7.0960 7.0960 7.7182 7.7182 8.0915 8.0915 9.4711 9.4711 10.4144 10.4144 11.4322 11.4322 12.1407 12.1407 12.7267 12.7267 k = 0.1875 0.0625 1.5817 ( 2680 PWs) bands (ev): 0.2847 0.2847 0.4029 0.4029 0.8690 0.8690 1.2780 1.2780 1.7404 1.7404 6.9919 6.9919 7.0951 7.0951 7.7498 7.7498 8.0345 8.0345 9.5810 9.5810 10.2897 10.2897 11.4703 11.4703 12.0733 12.0733 12.8727 12.8727 k = 0.2083 0.0694 1.5817 ( 2684 PWs) bands (ev): 0.2847 0.2847 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7403 1.7403 6.9924 6.9924 7.0945 7.0945 7.7840 7.7840 7.9821 7.9821 9.6934 9.6934 10.1666 10.1666 11.5053 11.5053 12.0170 12.0170 13.0187 13.0187 k = 0.2292 0.0764 1.5817 ( 2692 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7402 1.7402 6.9927 6.9927 7.0940 7.0940 7.8184 7.8184 7.9369 7.9369 9.8080 9.8080 10.0456 10.0456 11.5312 11.5312 11.9781 11.9781 13.1626 13.1626 k = 0.2500 0.0833 1.5817 ( 2692 PWs) bands (ev): 0.2846 0.2846 0.4029 0.4029 0.8690 0.8690 1.2779 1.2779 1.7402 1.7402 6.9928 6.9928 7.0939 7.0939 7.8385 7.8385 7.9131 7.9131 9.9125 9.9125 9.9389 9.9389 11.5410 11.5410 11.9639 11.9639 13.2708 13.2708 Writing output data file Zr2Cd.save init_run : 0.35s CPU 0.78s WALL ( 1 calls) electrons : 179.80s CPU 182.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.10s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 179.80s CPU 182.86s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 414 calls) cegterg : 158.97s CPU 160.72s WALL ( 586 calls) Called by sum_band: Called by *egterg: h_psi : 137.43s CPU 139.10s WALL ( 10117 calls) s_psi : 1.16s CPU 1.21s WALL ( 10117 calls) g_psi : 0.16s CPU 0.14s WALL ( 9117 calls) cdiaghg : 30.96s CPU 31.56s WALL ( 9531 calls) cegterg:over : 2.82s CPU 2.70s WALL ( 9117 calls) cegterg:upda : 2.23s CPU 2.32s WALL ( 9117 calls) cegterg:last : 1.16s CPU 1.17s WALL ( 1887 calls) cdiaghg:chol : 1.84s CPU 1.81s WALL ( 9531 calls) cdiaghg:inve : 0.55s CPU 0.63s WALL ( 9531 calls) cdiaghg:para : 1.86s CPU 1.97s WALL ( 19062 calls) Called by h_psi: h_psi:vloc : 133.58s CPU 135.23s WALL ( 10117 calls) h_psi:vnl : 3.70s CPU 3.75s WALL ( 10117 calls) add_vuspsi : 1.94s CPU 1.91s WALL ( 10117 calls) General routines calbec : 1.74s CPU 1.81s WALL ( 10117 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 117.49s CPU 119.05s WALL ( 695708 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.13s WALL ( 828 calls) Parallel routines fft_scatter : 35.15s CPU 35.97s WALL ( 695731 calls) PWSCF : 3m10.30s CPU 3m50.36s WALL This run was terminated on: 17: 4:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=