Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:58:56 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: ./TiNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 30 8 990 990 155 Max 32 32 9 996 996 160 Sum 1083 1083 315 35747 35747 5713 bravais-lattice index = 14 lattice parameter (alat) = 7.7630 a.u. unit-cell volume = 369.8183 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.762994 celldm(2)= 0.705453 celldm(3)= 1.130964 celldm(4)= 0.135370 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.705453 0.000000 ) a(3) = ( 0.000000 0.153098 1.120554 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.417529 -0.193673 ) b(3) = ( 0.000000 0.000000 0.892416 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0000000 0.0000000 0.0127488), wk = 0.0026882 k( 3) = ( 0.0000000 0.0000000 0.0254976), wk = 0.0026882 k( 4) = ( 0.0000000 0.0000000 0.0382464), wk = 0.0026882 k( 5) = ( 0.0000000 0.0000000 0.0509952), wk = 0.0026882 k( 6) = ( 0.0000000 0.0000000 0.0637440), wk = 0.0026882 k( 7) = ( 0.0000000 0.0000000 0.0764928), wk = 0.0026882 k( 8) = ( 0.0000000 0.0000000 0.0892416), wk = 0.0026882 k( 9) = ( 0.0000000 0.0000000 0.1019904), wk = 0.0026882 k( 10) = ( 0.0000000 0.0000000 0.1147392), wk = 0.0026882 k( 11) = ( 0.0000000 0.0000000 0.1274880), wk = 0.0026882 k( 12) = ( 0.0000000 0.0000000 0.1402368), wk = 0.0026882 k( 13) = ( 0.0000000 0.0000000 0.1529856), wk = 0.0026882 k( 14) = ( 0.0000000 0.0000000 0.1657344), wk = 0.0026882 k( 15) = ( 0.0000000 0.0000000 0.1784832), wk = 0.0026882 k( 16) = ( 0.0000000 0.0000000 0.1912320), wk = 0.0026882 k( 17) = ( 0.0000000 0.0000000 0.2039808), wk = 0.0026882 k( 18) = ( 0.0000000 0.0000000 0.2167296), wk = 0.0026882 k( 19) = ( 0.0000000 0.0000000 0.2294784), wk = 0.0026882 k( 20) = ( 0.0000000 0.0000000 0.2422272), wk = 0.0026882 k( 21) = ( 0.0000000 0.0000000 0.2549760), wk = 0.0026882 k( 22) = ( 0.0000000 0.0000000 0.2677248), wk = 0.0026882 k( 23) = ( 0.0000000 0.0000000 0.2804736), wk = 0.0026882 k( 24) = ( 0.0000000 0.0000000 0.2932224), wk = 0.0026882 k( 25) = ( 0.0000000 0.0000000 0.3059712), wk = 0.0026882 k( 26) = ( 0.0000000 0.0000000 0.3187200), wk = 0.0026882 k( 27) = ( 0.0000000 0.0000000 0.3314688), wk = 0.0026882 k( 28) = ( 0.0000000 0.0000000 0.3442176), wk = 0.0026882 k( 29) = ( 0.0000000 0.0000000 0.3569664), wk = 0.0026882 k( 30) = ( 0.0000000 0.0000000 0.3697152), wk = 0.0026882 k( 31) = ( 0.0000000 0.0000000 0.3824640), wk = 0.0026882 k( 32) = ( 0.0000000 0.0000000 0.3952128), wk = 0.0026882 k( 33) = ( 0.0000000 0.0000000 0.4079616), wk = 0.0026882 k( 34) = ( 0.0000000 0.0000000 0.4207104), wk = 0.0026882 k( 35) = ( 0.0000000 0.0000000 0.4334592), wk = 0.0026882 k( 36) = ( 0.0000000 0.0000000 0.4462080), wk = 0.0026882 k( 37) = ( 0.0000000 0.0000000 0.4462080), wk = 0.0026882 k( 38) = ( 0.0000000 0.0129614 0.4462080), wk = 0.0026882 k( 39) = ( 0.0000000 0.0259228 0.4462080), wk = 0.0026882 k( 40) = ( 0.0000000 0.0388842 0.4462080), wk = 0.0026882 k( 41) = ( 0.0000000 0.0518456 0.4462080), wk = 0.0026882 k( 42) = ( 0.0000000 0.0648070 0.4462080), wk = 0.0026882 k( 43) = ( 0.0000000 0.0777684 0.4462080), wk = 0.0026882 k( 44) = ( 0.0000000 0.0907297 0.4462080), wk = 0.0026882 k( 45) = ( 0.0000000 0.1036911 0.4462080), wk = 0.0026882 k( 46) = ( 0.0000000 0.1166525 0.4462080), wk = 0.0026882 k( 47) = ( 0.0000000 0.1296139 0.4462080), wk = 0.0026882 k( 48) = ( 0.0000000 0.1425753 0.4462080), wk = 0.0026882 k( 49) = ( 0.0000000 0.1555367 0.4462080), wk = 0.0026882 k( 50) = ( 0.0000000 0.1684981 0.4462080), wk = 0.0026882 k( 51) = ( 0.0000000 0.1814595 0.4462080), wk = 0.0026882 k( 52) = ( 0.0000000 0.1944209 0.4462080), wk = 0.0026882 k( 53) = ( 0.0000000 0.2073823 0.4462080), wk = 0.0026882 k( 54) = ( 0.0000000 0.2203437 0.4462080), wk = 0.0026882 k( 55) = ( 0.0000000 0.2333051 0.4462080), wk = 0.0026882 k( 56) = ( 0.0000000 0.2462664 0.4462080), wk = 0.0026882 k( 57) = ( 0.0000000 0.2592278 0.4462080), wk = 0.0026882 k( 58) = ( 0.0000000 0.2721892 0.4462080), wk = 0.0026882 k( 59) = ( 0.0000000 0.2851506 0.4462080), wk = 0.0026882 k( 60) = ( 0.0000000 0.2981120 0.4462080), wk = 0.0026882 k( 61) = ( 0.0000000 0.3110734 0.4462080), wk = 0.0026882 k( 62) = ( 0.0000000 0.3240348 0.4462080), wk = 0.0026882 k( 63) = ( 0.0000000 0.3369962 0.4462080), wk = 0.0026882 k( 64) = ( 0.0000000 0.3499576 0.4462080), wk = 0.0026882 k( 65) = ( 0.0000000 0.3629190 0.4462080), wk = 0.0026882 k( 66) = ( 0.0000000 0.3758804 0.4462080), wk = 0.0026882 k( 67) = ( 0.0000000 0.3888417 0.4462080), wk = 0.0026882 k( 68) = ( 0.0000000 0.4018031 0.4462080), wk = 0.0026882 k( 69) = ( 0.0000000 0.4147645 0.4462080), wk = 0.0026882 k( 70) = ( 0.0000000 0.4277259 0.4462080), wk = 0.0026882 k( 71) = ( 0.0000000 0.4406873 0.4462080), wk = 0.0026882 k( 72) = ( 0.0000000 0.4536487 0.4462080), wk = 0.0026882 k( 73) = ( 0.0000000 0.4666101 0.4462080), wk = 0.0026882 k( 74) = ( 0.0000000 0.4795715 0.4462080), wk = 0.0026882 k( 75) = ( 0.0000000 0.4925329 0.4462080), wk = 0.0026882 k( 76) = ( 0.0000000 0.5054943 0.4462080), wk = 0.0026882 k( 77) = ( 0.0000000 0.5184557 0.4462080), wk = 0.0026882 k( 78) = ( 0.0000000 0.5314171 0.4462080), wk = 0.0026882 k( 79) = ( 0.0000000 0.5443785 0.4462080), wk = 0.0026882 k( 80) = ( 0.0000000 0.5573398 0.4462080), wk = 0.0026882 k( 81) = ( 0.0000000 0.5703012 0.4462080), wk = 0.0026882 k( 82) = ( 0.0000000 0.5832626 0.4462080), wk = 0.0026882 k( 83) = ( 0.0000000 0.5962240 0.4462080), wk = 0.0026882 k( 84) = ( 0.0000000 0.6091854 0.4462080), wk = 0.0026882 k( 85) = ( 0.0000000 0.6221468 0.4462080), wk = 0.0026882 k( 86) = ( 0.0000000 0.6351082 0.4462080), wk = 0.0026882 k( 87) = ( 0.0000000 0.6480696 0.4462080), wk = 0.0026882 k( 88) = ( 0.0000000 0.6610310 0.4462080), wk = 0.0026882 k( 89) = ( 0.0000000 0.6610310 0.4462080), wk = 0.0026882 k( 90) = ( 0.0000000 0.6663347 0.4354484), wk = 0.0026882 k( 91) = ( 0.0000000 0.6716385 0.4246888), wk = 0.0026882 k( 92) = ( 0.0000000 0.6769422 0.4139291), wk = 0.0026882 k( 93) = ( 0.0000000 0.6822460 0.4031695), wk = 0.0026882 k( 94) = ( 0.0000000 0.6875497 0.3924099), wk = 0.0026882 k( 95) = ( 0.0000000 0.6928534 0.3816502), wk = 0.0026882 k( 96) = ( 0.0000000 0.6981572 0.3708906), wk = 0.0026882 k( 97) = ( 0.0000000 0.7034609 0.3601310), wk = 0.0026882 k( 98) = ( 0.0000000 0.7087647 0.3493714), wk = 0.0026882 k( 99) = ( 0.0000000 0.7087647 0.3493714), wk = 0.0026882 k( 100) = ( 0.0128205 0.7087647 0.3493714), wk = 0.0026882 k( 101) = ( 0.0256410 0.7087647 0.3493714), wk = 0.0026882 k( 102) = ( 0.0384615 0.7087647 0.3493714), wk = 0.0026882 k( 103) = ( 0.0512821 0.7087647 0.3493714), wk = 0.0026882 k( 104) = ( 0.0641026 0.7087647 0.3493714), wk = 0.0026882 k( 105) = ( 0.0769231 0.7087647 0.3493714), wk = 0.0026882 k( 106) = ( 0.0897436 0.7087647 0.3493714), wk = 0.0026882 k( 107) = ( 0.1025641 0.7087647 0.3493714), wk = 0.0026882 k( 108) = ( 0.1153846 0.7087647 0.3493714), wk = 0.0026882 k( 109) = ( 0.1282051 0.7087647 0.3493714), wk = 0.0026882 k( 110) = ( 0.1410256 0.7087647 0.3493714), wk = 0.0026882 k( 111) = ( 0.1538461 0.7087647 0.3493714), wk = 0.0026882 k( 112) = ( 0.1666667 0.7087647 0.3493714), wk = 0.0026882 k( 113) = ( 0.1794872 0.7087647 0.3493714), wk = 0.0026882 k( 114) = ( 0.1923077 0.7087647 0.3493714), wk = 0.0026882 k( 115) = ( 0.2051282 0.7087647 0.3493714), wk = 0.0026882 k( 116) = ( 0.2179487 0.7087647 0.3493714), wk = 0.0026882 k( 117) = ( 0.2307692 0.7087647 0.3493714), wk = 0.0026882 k( 118) = ( 0.2435897 0.7087647 0.3493714), wk = 0.0026882 k( 119) = ( 0.2564103 0.7087647 0.3493714), wk = 0.0026882 k( 120) = ( 0.2692308 0.7087647 0.3493714), wk = 0.0026882 k( 121) = ( 0.2820513 0.7087647 0.3493714), wk = 0.0026882 k( 122) = ( 0.2948718 0.7087647 0.3493714), wk = 0.0026882 k( 123) = ( 0.3076923 0.7087647 0.3493714), wk = 0.0026882 k( 124) = ( 0.3205128 0.7087647 0.3493714), wk = 0.0026882 k( 125) = ( 0.3333333 0.7087647 0.3493714), wk = 0.0026882 k( 126) = ( 0.3461538 0.7087647 0.3493714), wk = 0.0026882 k( 127) = ( 0.3589744 0.7087647 0.3493714), wk = 0.0026882 k( 128) = ( 0.3717949 0.7087647 0.3493714), wk = 0.0026882 k( 129) = ( 0.3846154 0.7087647 0.3493714), wk = 0.0026882 k( 130) = ( 0.3974359 0.7087647 0.3493714), wk = 0.0026882 k( 131) = ( 0.4102564 0.7087647 0.3493714), wk = 0.0026882 k( 132) = ( 0.4230769 0.7087647 0.3493714), wk = 0.0026882 k( 133) = ( 0.4358974 0.7087647 0.3493714), wk = 0.0026882 k( 134) = ( 0.4487179 0.7087647 0.3493714), wk = 0.0026882 k( 135) = ( 0.4615385 0.7087647 0.3493714), wk = 0.0026882 k( 136) = ( 0.4743590 0.7087647 0.3493714), wk = 0.0026882 k( 137) = ( 0.4871795 0.7087647 0.3493714), wk = 0.0026882 k( 138) = ( 0.5000000 0.7087647 0.3493714), wk = 0.0026882 k( 139) = ( 0.5000000 0.7087647 0.3493714), wk = 0.0026882 k( 140) = ( 0.5000000 0.7140684 0.3386117), wk = 0.0026882 k( 141) = ( 0.5000000 0.7193722 0.3278521), wk = 0.0026882 k( 142) = ( 0.5000000 0.7246759 0.3170925), wk = 0.0026882 k( 143) = ( 0.5000000 0.7299796 0.3063329), wk = 0.0026882 k( 144) = ( 0.5000000 0.7352834 0.2955732), wk = 0.0026882 k( 145) = ( 0.5000000 0.7405871 0.2848136), wk = 0.0026882 k( 146) = ( 0.5000000 0.7458909 0.2740540), wk = 0.0026882 k( 147) = ( 0.5000000 0.7511946 0.2632943), wk = 0.0026882 k( 148) = ( 0.5000000 0.7564983 0.2525347), wk = 0.0026882 k( 149) = ( 0.5000000 0.7564983 0.2525347), wk = 0.0026882 k( 150) = ( 0.5000000 0.7547304 0.2395950), wk = 0.0026882 k( 151) = ( 0.5000000 0.7529625 0.2266554), wk = 0.0026882 k( 152) = ( 0.5000000 0.7511946 0.2137157), wk = 0.0026882 k( 153) = ( 0.5000000 0.7494267 0.2007760), wk = 0.0026882 k( 154) = ( 0.5000000 0.7476588 0.1878363), wk = 0.0026882 k( 155) = ( 0.5000000 0.7458909 0.1748966), wk = 0.0026882 k( 156) = ( 0.5000000 0.7441229 0.1619570), wk = 0.0026882 k( 157) = ( 0.5000000 0.7423550 0.1490173), wk = 0.0026882 k( 158) = ( 0.5000000 0.7405871 0.1360776), wk = 0.0026882 k( 159) = ( 0.5000000 0.7388192 0.1231379), wk = 0.0026882 k( 160) = ( 0.5000000 0.7370513 0.1101982), wk = 0.0026882 k( 161) = ( 0.5000000 0.7352834 0.0972586), wk = 0.0026882 k( 162) = ( 0.5000000 0.7335155 0.0843189), wk = 0.0026882 k( 163) = ( 0.5000000 0.7317476 0.0713792), wk = 0.0026882 k( 164) = ( 0.5000000 0.7299796 0.0584395), wk = 0.0026882 k( 165) = ( 0.5000000 0.7282117 0.0454998), wk = 0.0026882 k( 166) = ( 0.5000000 0.7264438 0.0325602), wk = 0.0026882 k( 167) = ( 0.5000000 0.7246759 0.0196205), wk = 0.0026882 k( 168) = ( 0.5000000 0.7229080 0.0066808), wk = 0.0026882 k( 169) = ( 0.5000000 0.7211401 -0.0062589), wk = 0.0026882 k( 170) = ( 0.5000000 0.7193722 -0.0191986), wk = 0.0026882 k( 171) = ( 0.5000000 0.7176042 -0.0321382), wk = 0.0026882 k( 172) = ( 0.5000000 0.7158363 -0.0450779), wk = 0.0026882 k( 173) = ( 0.5000000 0.7140684 -0.0580176), wk = 0.0026882 k( 174) = ( 0.5000000 0.7123005 -0.0709573), wk = 0.0026882 k( 175) = ( 0.5000000 0.7105326 -0.0838970), wk = 0.0026882 k( 176) = ( 0.5000000 0.7087647 -0.0968366), wk = 0.0026882 k( 177) = ( 0.5000000 0.7087647 -0.0968366), wk = 0.0026882 k( 178) = ( 0.4871795 0.7087647 -0.0968366), wk = 0.0026882 k( 179) = ( 0.4743590 0.7087647 -0.0968366), wk = 0.0026882 k( 180) = ( 0.4615385 0.7087647 -0.0968366), wk = 0.0026882 k( 181) = ( 0.4487179 0.7087647 -0.0968366), wk = 0.0026882 k( 182) = ( 0.4358974 0.7087647 -0.0968366), wk = 0.0026882 k( 183) = ( 0.4230769 0.7087647 -0.0968366), wk = 0.0026882 k( 184) = ( 0.4102564 0.7087647 -0.0968366), wk = 0.0026882 k( 185) = ( 0.3974359 0.7087647 -0.0968366), wk = 0.0026882 k( 186) = ( 0.3846154 0.7087647 -0.0968366), wk = 0.0026882 k( 187) = ( 0.3717949 0.7087647 -0.0968366), wk = 0.0026882 k( 188) = ( 0.3589744 0.7087647 -0.0968366), wk = 0.0026882 k( 189) = ( 0.3461538 0.7087647 -0.0968366), wk = 0.0026882 k( 190) = ( 0.3333333 0.7087647 -0.0968366), wk = 0.0026882 k( 191) = ( 0.3205128 0.7087647 -0.0968366), wk = 0.0026882 k( 192) = ( 0.3076923 0.7087647 -0.0968366), wk = 0.0026882 k( 193) = ( 0.2948718 0.7087647 -0.0968366), wk = 0.0026882 k( 194) = ( 0.2820513 0.7087647 -0.0968366), wk = 0.0026882 k( 195) = ( 0.2692308 0.7087647 -0.0968366), wk = 0.0026882 k( 196) = ( 0.2564103 0.7087647 -0.0968366), wk = 0.0026882 k( 197) = ( 0.2435897 0.7087647 -0.0968366), wk = 0.0026882 k( 198) = ( 0.2307692 0.7087647 -0.0968366), wk = 0.0026882 k( 199) = ( 0.2179487 0.7087647 -0.0968366), wk = 0.0026882 k( 200) = ( 0.2051282 0.7087647 -0.0968366), wk = 0.0026882 k( 201) = ( 0.1923077 0.7087647 -0.0968366), wk = 0.0026882 k( 202) = ( 0.1794872 0.7087647 -0.0968366), wk = 0.0026882 k( 203) = ( 0.1666667 0.7087647 -0.0968366), wk = 0.0026882 k( 204) = ( 0.1538461 0.7087647 -0.0968366), wk = 0.0026882 k( 205) = ( 0.1410256 0.7087647 -0.0968366), wk = 0.0026882 k( 206) = ( 0.1282051 0.7087647 -0.0968366), wk = 0.0026882 k( 207) = ( 0.1153846 0.7087647 -0.0968366), wk = 0.0026882 k( 208) = ( 0.1025641 0.7087647 -0.0968366), wk = 0.0026882 k( 209) = ( 0.0897436 0.7087647 -0.0968366), wk = 0.0026882 k( 210) = ( 0.0769231 0.7087647 -0.0968366), wk = 0.0026882 k( 211) = ( 0.0641026 0.7087647 -0.0968366), wk = 0.0026882 k( 212) = ( 0.0512821 0.7087647 -0.0968366), wk = 0.0026882 k( 213) = ( 0.0384615 0.7087647 -0.0968366), wk = 0.0026882 k( 214) = ( 0.0256410 0.7087647 -0.0968366), wk = 0.0026882 k( 215) = ( 0.0128205 0.7087647 -0.0968366), wk = 0.0026882 k( 216) = ( 0.0000000 0.7087647 -0.0968366), wk = 0.0026882 k( 217) = ( 0.0000000 0.7087647 -0.0968366), wk = 0.0026882 k( 218) = ( 0.0000000 0.7105326 -0.0838970), wk = 0.0026882 k( 219) = ( 0.0000000 0.7123005 -0.0709573), wk = 0.0026882 k( 220) = ( 0.0000000 0.7140684 -0.0580176), wk = 0.0026882 k( 221) = ( 0.0000000 0.7158363 -0.0450779), wk = 0.0026882 k( 222) = ( 0.0000000 0.7176042 -0.0321382), wk = 0.0026882 k( 223) = ( 0.0000000 0.7193722 -0.0191986), wk = 0.0026882 k( 224) = ( 0.0000000 0.7211401 -0.0062589), wk = 0.0026882 k( 225) = ( 0.0000000 0.7229080 0.0066808), wk = 0.0026882 k( 226) = ( 0.0000000 0.7246759 0.0196205), wk = 0.0026882 k( 227) = ( 0.0000000 0.7264438 0.0325602), wk = 0.0026882 k( 228) = ( 0.0000000 0.7282117 0.0454998), wk = 0.0026882 k( 229) = ( 0.0000000 0.7299796 0.0584395), wk = 0.0026882 k( 230) = ( 0.0000000 0.7317476 0.0713792), wk = 0.0026882 k( 231) = ( 0.0000000 0.7335155 0.0843189), wk = 0.0026882 k( 232) = ( 0.0000000 0.7352834 0.0972586), wk = 0.0026882 k( 233) = ( 0.0000000 0.7370513 0.1101982), wk = 0.0026882 k( 234) = ( 0.0000000 0.7388192 0.1231379), wk = 0.0026882 k( 235) = ( 0.0000000 0.7405871 0.1360776), wk = 0.0026882 k( 236) = ( 0.0000000 0.7423550 0.1490173), wk = 0.0026882 k( 237) = ( 0.0000000 0.7441229 0.1619570), wk = 0.0026882 k( 238) = ( 0.0000000 0.7458909 0.1748966), wk = 0.0026882 k( 239) = ( 0.0000000 0.7476588 0.1878363), wk = 0.0026882 k( 240) = ( 0.0000000 0.7494267 0.2007760), wk = 0.0026882 k( 241) = ( 0.0000000 0.7511946 0.2137157), wk = 0.0026882 k( 242) = ( 0.0000000 0.7529625 0.2266554), wk = 0.0026882 k( 243) = ( 0.0000000 0.7547304 0.2395950), wk = 0.0026882 k( 244) = ( 0.0000000 0.7564983 0.2525347), wk = 0.0026882 k( 245) = ( 0.5000000 0.6610310 0.4462080), wk = 0.0026882 k( 246) = ( 0.5000000 0.6480696 0.4462080), wk = 0.0026882 k( 247) = ( 0.5000000 0.6351082 0.4462080), wk = 0.0026882 k( 248) = ( 0.5000000 0.6221468 0.4462080), wk = 0.0026882 k( 249) = ( 0.5000000 0.6091854 0.4462080), wk = 0.0026882 k( 250) = ( 0.5000000 0.5962240 0.4462080), wk = 0.0026882 k( 251) = ( 0.5000000 0.5832626 0.4462080), wk = 0.0026882 k( 252) = ( 0.5000000 0.5703012 0.4462080), wk = 0.0026882 k( 253) = ( 0.5000000 0.5573398 0.4462080), wk = 0.0026882 k( 254) = ( 0.5000000 0.5443785 0.4462080), wk = 0.0026882 k( 255) = ( 0.5000000 0.5314171 0.4462080), wk = 0.0026882 k( 256) = ( 0.5000000 0.5184557 0.4462080), wk = 0.0026882 k( 257) = ( 0.5000000 0.5054943 0.4462080), wk = 0.0026882 k( 258) = ( 0.5000000 0.4925329 0.4462080), wk = 0.0026882 k( 259) = ( 0.5000000 0.4795715 0.4462080), wk = 0.0026882 k( 260) = ( 0.5000000 0.4666101 0.4462080), wk = 0.0026882 k( 261) = ( 0.5000000 0.4536487 0.4462080), wk = 0.0026882 k( 262) = ( 0.5000000 0.4406873 0.4462080), wk = 0.0026882 k( 263) = ( 0.5000000 0.4277259 0.4462080), wk = 0.0026882 k( 264) = ( 0.5000000 0.4147645 0.4462080), wk = 0.0026882 k( 265) = ( 0.5000000 0.4018031 0.4462080), wk = 0.0026882 k( 266) = ( 0.5000000 0.3888417 0.4462080), wk = 0.0026882 k( 267) = ( 0.5000000 0.3758804 0.4462080), wk = 0.0026882 k( 268) = ( 0.5000000 0.3629190 0.4462080), wk = 0.0026882 k( 269) = ( 0.5000000 0.3499576 0.4462080), wk = 0.0026882 k( 270) = ( 0.5000000 0.3369962 0.4462080), wk = 0.0026882 k( 271) = ( 0.5000000 0.3240348 0.4462080), wk = 0.0026882 k( 272) = ( 0.5000000 0.3110734 0.4462080), wk = 0.0026882 k( 273) = ( 0.5000000 0.2981120 0.4462080), wk = 0.0026882 k( 274) = ( 0.5000000 0.2851506 0.4462080), wk = 0.0026882 k( 275) = ( 0.5000000 0.2721892 0.4462080), wk = 0.0026882 k( 276) = ( 0.5000000 0.2592278 0.4462080), wk = 0.0026882 k( 277) = ( 0.5000000 0.2462664 0.4462080), wk = 0.0026882 k( 278) = ( 0.5000000 0.2333051 0.4462080), wk = 0.0026882 k( 279) = ( 0.5000000 0.2203437 0.4462080), wk = 0.0026882 k( 280) = ( 0.5000000 0.2073823 0.4462080), wk = 0.0026882 k( 281) = ( 0.5000000 0.1944209 0.4462080), wk = 0.0026882 k( 282) = ( 0.5000000 0.1814595 0.4462080), wk = 0.0026882 k( 283) = ( 0.5000000 0.1684981 0.4462080), wk = 0.0026882 k( 284) = ( 0.5000000 0.1555367 0.4462080), wk = 0.0026882 k( 285) = ( 0.5000000 0.1425753 0.4462080), wk = 0.0026882 k( 286) = ( 0.5000000 0.1296139 0.4462080), wk = 0.0026882 k( 287) = ( 0.5000000 0.1166525 0.4462080), wk = 0.0026882 k( 288) = ( 0.5000000 0.1036911 0.4462080), wk = 0.0026882 k( 289) = ( 0.5000000 0.0907297 0.4462080), wk = 0.0026882 k( 290) = ( 0.5000000 0.0777684 0.4462080), wk = 0.0026882 k( 291) = ( 0.5000000 0.0648070 0.4462080), wk = 0.0026882 k( 292) = ( 0.5000000 0.0518456 0.4462080), wk = 0.0026882 k( 293) = ( 0.5000000 0.0388842 0.4462080), wk = 0.0026882 k( 294) = ( 0.5000000 0.0259228 0.4462080), wk = 0.0026882 k( 295) = ( 0.5000000 0.0129614 0.4462080), wk = 0.0026882 k( 296) = ( 0.5000000 -0.0000000 0.4462080), wk = 0.0026882 k( 297) = ( 0.5000000 -0.0000000 0.4462080), wk = 0.0026882 k( 298) = ( 0.5000000 -0.0000000 0.4334592), wk = 0.0026882 k( 299) = ( 0.5000000 -0.0000000 0.4207104), wk = 0.0026882 k( 300) = ( 0.5000000 -0.0000000 0.4079616), wk = 0.0026882 k( 301) = ( 0.5000000 -0.0000000 0.3952128), wk = 0.0026882 k( 302) = ( 0.5000000 -0.0000000 0.3824640), wk = 0.0026882 k( 303) = ( 0.5000000 -0.0000000 0.3697152), wk = 0.0026882 k( 304) = ( 0.5000000 -0.0000000 0.3569664), wk = 0.0026882 k( 305) = ( 0.5000000 -0.0000000 0.3442176), wk = 0.0026882 k( 306) = ( 0.5000000 -0.0000000 0.3314688), wk = 0.0026882 k( 307) = ( 0.5000000 -0.0000000 0.3187200), wk = 0.0026882 k( 308) = ( 0.5000000 -0.0000000 0.3059712), wk = 0.0026882 k( 309) = ( 0.5000000 -0.0000000 0.2932224), wk = 0.0026882 k( 310) = ( 0.5000000 -0.0000000 0.2804736), wk = 0.0026882 k( 311) = ( 0.5000000 -0.0000000 0.2677248), wk = 0.0026882 k( 312) = ( 0.5000000 -0.0000000 0.2549760), wk = 0.0026882 k( 313) = ( 0.5000000 -0.0000000 0.2422272), wk = 0.0026882 k( 314) = ( 0.5000000 -0.0000000 0.2294784), wk = 0.0026882 k( 315) = ( 0.5000000 -0.0000000 0.2167296), wk = 0.0026882 k( 316) = ( 0.5000000 -0.0000000 0.2039808), wk = 0.0026882 k( 317) = ( 0.5000000 -0.0000000 0.1912320), wk = 0.0026882 k( 318) = ( 0.5000000 -0.0000000 0.1784832), wk = 0.0026882 k( 319) = ( 0.5000000 -0.0000000 0.1657344), wk = 0.0026882 k( 320) = ( 0.5000000 -0.0000000 0.1529856), wk = 0.0026882 k( 321) = ( 0.5000000 -0.0000000 0.1402368), wk = 0.0026882 k( 322) = ( 0.5000000 -0.0000000 0.1274880), wk = 0.0026882 k( 323) = ( 0.5000000 -0.0000000 0.1147392), wk = 0.0026882 k( 324) = ( 0.5000000 -0.0000000 0.1019904), wk = 0.0026882 k( 325) = ( 0.5000000 -0.0000000 0.0892416), wk = 0.0026882 k( 326) = ( 0.5000000 -0.0000000 0.0764928), wk = 0.0026882 k( 327) = ( 0.5000000 -0.0000000 0.0637440), wk = 0.0026882 k( 328) = ( 0.5000000 -0.0000000 0.0509952), wk = 0.0026882 k( 329) = ( 0.5000000 -0.0000000 0.0382464), wk = 0.0026882 k( 330) = ( 0.5000000 -0.0000000 0.0254976), wk = 0.0026882 k( 331) = ( 0.5000000 -0.0000000 0.0127488), wk = 0.0026882 k( 332) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 333) = ( 0.0000000 0.0000000 0.4462080), wk = 0.0026882 k( 334) = ( 0.0128205 -0.0000000 0.4462080), wk = 0.0026882 k( 335) = ( 0.0256410 -0.0000000 0.4462080), wk = 0.0026882 k( 336) = ( 0.0384615 -0.0000000 0.4462080), wk = 0.0026882 k( 337) = ( 0.0512821 -0.0000000 0.4462080), wk = 0.0026882 k( 338) = ( 0.0641026 -0.0000000 0.4462080), wk = 0.0026882 k( 339) = ( 0.0769231 -0.0000000 0.4462080), wk = 0.0026882 k( 340) = ( 0.0897436 -0.0000000 0.4462080), wk = 0.0026882 k( 341) = ( 0.1025641 -0.0000000 0.4462080), wk = 0.0026882 k( 342) = ( 0.1153846 -0.0000000 0.4462080), wk = 0.0026882 k( 343) = ( 0.1282051 -0.0000000 0.4462080), wk = 0.0026882 k( 344) = ( 0.1410256 -0.0000000 0.4462080), wk = 0.0026882 k( 345) = ( 0.1538461 -0.0000000 0.4462080), wk = 0.0026882 k( 346) = ( 0.1666667 -0.0000000 0.4462080), wk = 0.0026882 k( 347) = ( 0.1794872 -0.0000000 0.4462080), wk = 0.0026882 k( 348) = ( 0.1923077 -0.0000000 0.4462080), wk = 0.0026882 k( 349) = ( 0.2051282 -0.0000000 0.4462080), wk = 0.0026882 k( 350) = ( 0.2179487 -0.0000000 0.4462080), wk = 0.0026882 k( 351) = ( 0.2307692 -0.0000000 0.4462080), wk = 0.0026882 k( 352) = ( 0.2435897 -0.0000000 0.4462080), wk = 0.0026882 k( 353) = ( 0.2564103 -0.0000000 0.4462080), wk = 0.0026882 k( 354) = ( 0.2692308 -0.0000000 0.4462080), wk = 0.0026882 k( 355) = ( 0.2820513 -0.0000000 0.4462080), wk = 0.0026882 k( 356) = ( 0.2948718 -0.0000000 0.4462080), wk = 0.0026882 k( 357) = ( 0.3076923 -0.0000000 0.4462080), wk = 0.0026882 k( 358) = ( 0.3205128 -0.0000000 0.4462080), wk = 0.0026882 k( 359) = ( 0.3333333 -0.0000000 0.4462080), wk = 0.0026882 k( 360) = ( 0.3461538 -0.0000000 0.4462080), wk = 0.0026882 k( 361) = ( 0.3589744 -0.0000000 0.4462080), wk = 0.0026882 k( 362) = ( 0.3717949 -0.0000000 0.4462080), wk = 0.0026882 k( 363) = ( 0.3846154 -0.0000000 0.4462080), wk = 0.0026882 k( 364) = ( 0.3974359 -0.0000000 0.4462080), wk = 0.0026882 k( 365) = ( 0.4102564 -0.0000000 0.4462080), wk = 0.0026882 k( 366) = ( 0.4230769 -0.0000000 0.4462080), wk = 0.0026882 k( 367) = ( 0.4358974 -0.0000000 0.4462080), wk = 0.0026882 k( 368) = ( 0.4487179 -0.0000000 0.4462080), wk = 0.0026882 k( 369) = ( 0.4615385 -0.0000000 0.4462080), wk = 0.0026882 k( 370) = ( 0.4743590 -0.0000000 0.4462080), wk = 0.0026882 k( 371) = ( 0.4871795 -0.0000000 0.4462080), wk = 0.0026882 k( 372) = ( 0.5000000 -0.0000000 0.4462080), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0026882 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0026882 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0026882 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0026882 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0026882 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0026882 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026882 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0026882 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0026882 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0026882 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0026882 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0026882 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0026882 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026882 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0026882 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0026882 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0026882 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0026882 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0026882 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0026882 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026882 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0026882 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0026882 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0026882 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0026882 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0026882 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0026882 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026882 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0026882 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0026882 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0026882 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0026882 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0026882 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0026882 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 38) = ( 0.0000000 0.0091436 0.5019844), wk = 0.0026882 k( 39) = ( 0.0000000 0.0182873 0.5039687), wk = 0.0026882 k( 40) = ( 0.0000000 0.0274309 0.5059531), wk = 0.0026882 k( 41) = ( 0.0000000 0.0365746 0.5079375), wk = 0.0026882 k( 42) = ( 0.0000000 0.0457183 0.5099218), wk = 0.0026882 k( 43) = ( 0.0000000 0.0548619 0.5119062), wk = 0.0026882 k( 44) = ( 0.0000000 0.0640055 0.5138906), wk = 0.0026882 k( 45) = ( 0.0000000 0.0731492 0.5158749), wk = 0.0026882 k( 46) = ( 0.0000000 0.0822929 0.5178593), wk = 0.0026882 k( 47) = ( 0.0000000 0.0914365 0.5198437), wk = 0.0026882 k( 48) = ( 0.0000000 0.1005801 0.5218280), wk = 0.0026882 k( 49) = ( 0.0000000 0.1097238 0.5238124), wk = 0.0026882 k( 50) = ( 0.0000000 0.1188674 0.5257968), wk = 0.0026882 k( 51) = ( 0.0000000 0.1280111 0.5277811), wk = 0.0026882 k( 52) = ( 0.0000000 0.1371547 0.5297655), wk = 0.0026882 k( 53) = ( 0.0000000 0.1462984 0.5317499), wk = 0.0026882 k( 54) = ( 0.0000000 0.1554420 0.5337342), wk = 0.0026882 k( 55) = ( 0.0000000 0.1645857 0.5357186), wk = 0.0026882 k( 56) = ( 0.0000000 0.1737294 0.5377030), wk = 0.0026882 k( 57) = ( 0.0000000 0.1828730 0.5396873), wk = 0.0026882 k( 58) = ( 0.0000000 0.1920166 0.5416717), wk = 0.0026882 k( 59) = ( 0.0000000 0.2011603 0.5436561), wk = 0.0026882 k( 60) = ( 0.0000000 0.2103039 0.5456404), wk = 0.0026882 k( 61) = ( 0.0000000 0.2194476 0.5476248), wk = 0.0026882 k( 62) = ( 0.0000000 0.2285912 0.5496092), wk = 0.0026882 k( 63) = ( 0.0000000 0.2377349 0.5515935), wk = 0.0026882 k( 64) = ( 0.0000000 0.2468785 0.5535779), wk = 0.0026882 k( 65) = ( 0.0000000 0.2560222 0.5555623), wk = 0.0026882 k( 66) = ( 0.0000000 0.2651658 0.5575466), wk = 0.0026882 k( 67) = ( 0.0000000 0.2743095 0.5595310), wk = 0.0026882 k( 68) = ( 0.0000000 0.2834531 0.5615154), wk = 0.0026882 k( 69) = ( 0.0000000 0.2925968 0.5634997), wk = 0.0026882 k( 70) = ( 0.0000000 0.3017404 0.5654841), wk = 0.0026882 k( 71) = ( 0.0000000 0.3108841 0.5674685), wk = 0.0026882 k( 72) = ( 0.0000000 0.3200277 0.5694528), wk = 0.0026882 k( 73) = ( 0.0000000 0.3291714 0.5714372), wk = 0.0026882 k( 74) = ( 0.0000000 0.3383150 0.5734216), wk = 0.0026882 k( 75) = ( 0.0000000 0.3474587 0.5754059), wk = 0.0026882 k( 76) = ( 0.0000000 0.3566023 0.5773903), wk = 0.0026882 k( 77) = ( 0.0000000 0.3657460 0.5793747), wk = 0.0026882 k( 78) = ( 0.0000000 0.3748896 0.5813590), wk = 0.0026882 k( 79) = ( 0.0000000 0.3840333 0.5833434), wk = 0.0026882 k( 80) = ( 0.0000000 0.3931769 0.5853278), wk = 0.0026882 k( 81) = ( 0.0000000 0.4023206 0.5873121), wk = 0.0026882 k( 82) = ( 0.0000000 0.4114642 0.5892965), wk = 0.0026882 k( 83) = ( 0.0000000 0.4206079 0.5912809), wk = 0.0026882 k( 84) = ( 0.0000000 0.4297515 0.5932652), wk = 0.0026882 k( 85) = ( 0.0000000 0.4388952 0.5952496), wk = 0.0026882 k( 86) = ( 0.0000000 0.4480388 0.5972340), wk = 0.0026882 k( 87) = ( 0.0000000 0.4571825 0.5992183), wk = 0.0026882 k( 88) = ( 0.0000000 0.4663261 0.6012027), wk = 0.0026882 k( 89) = ( 0.0000000 0.4663261 0.6012027), wk = 0.0026882 k( 90) = ( 0.0000000 0.4700677 0.5899580), wk = 0.0026882 k( 91) = ( 0.0000000 0.4738092 0.5787132), wk = 0.0026882 k( 92) = ( 0.0000000 0.4775508 0.5674685), wk = 0.0026882 k( 93) = ( 0.0000000 0.4812923 0.5562237), wk = 0.0026882 k( 94) = ( 0.0000000 0.4850338 0.5449790), wk = 0.0026882 k( 95) = ( 0.0000000 0.4887754 0.5337342), wk = 0.0026882 k( 96) = ( 0.0000000 0.4925169 0.5224895), wk = 0.0026882 k( 97) = ( 0.0000000 0.4962585 0.5112448), wk = 0.0026882 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 100) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0026882 k( 101) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0026882 k( 102) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0026882 k( 103) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0026882 k( 104) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0026882 k( 105) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0026882 k( 106) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0026882 k( 107) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0026882 k( 108) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0026882 k( 109) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0026882 k( 110) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0026882 k( 111) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0026882 k( 112) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026882 k( 113) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0026882 k( 114) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0026882 k( 115) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0026882 k( 116) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0026882 k( 117) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0026882 k( 118) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0026882 k( 119) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0026882 k( 120) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0026882 k( 121) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0026882 k( 122) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0026882 k( 123) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0026882 k( 124) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0026882 k( 125) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026882 k( 126) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0026882 k( 127) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0026882 k( 128) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0026882 k( 129) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0026882 k( 130) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0026882 k( 131) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0026882 k( 132) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0026882 k( 133) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0026882 k( 134) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0026882 k( 135) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0026882 k( 136) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0026882 k( 137) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0026882 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 140) = ( 0.5000000 0.5037415 0.4887553), wk = 0.0026882 k( 141) = ( 0.5000000 0.5074831 0.4775105), wk = 0.0026882 k( 142) = ( 0.5000000 0.5112246 0.4662658), wk = 0.0026882 k( 143) = ( 0.5000000 0.5149662 0.4550210), wk = 0.0026882 k( 144) = ( 0.5000000 0.5187077 0.4437763), wk = 0.0026882 k( 145) = ( 0.5000000 0.5224492 0.4325315), wk = 0.0026882 k( 146) = ( 0.5000000 0.5261908 0.4212868), wk = 0.0026882 k( 147) = ( 0.5000000 0.5299323 0.4100420), wk = 0.0026882 k( 148) = ( 0.5000000 0.5336739 0.3987973), wk = 0.0026882 k( 149) = ( 0.5000000 0.5336739 0.3987973), wk = 0.0026882 k( 150) = ( 0.5000000 0.5324267 0.3840270), wk = 0.0026882 k( 151) = ( 0.5000000 0.5311795 0.3692568), wk = 0.0026882 k( 152) = ( 0.5000000 0.5299323 0.3544865), wk = 0.0026882 k( 153) = ( 0.5000000 0.5286851 0.3397162), wk = 0.0026882 k( 154) = ( 0.5000000 0.5274380 0.3249459), wk = 0.0026882 k( 155) = ( 0.5000000 0.5261908 0.3101757), wk = 0.0026882 k( 156) = ( 0.5000000 0.5249436 0.2954054), wk = 0.0026882 k( 157) = ( 0.5000000 0.5236964 0.2806351), wk = 0.0026882 k( 158) = ( 0.5000000 0.5224492 0.2658649), wk = 0.0026882 k( 159) = ( 0.5000000 0.5212021 0.2510946), wk = 0.0026882 k( 160) = ( 0.5000000 0.5199549 0.2363243), wk = 0.0026882 k( 161) = ( 0.5000000 0.5187077 0.2215541), wk = 0.0026882 k( 162) = ( 0.5000000 0.5174605 0.2067838), wk = 0.0026882 k( 163) = ( 0.5000000 0.5162133 0.1920135), wk = 0.0026882 k( 164) = ( 0.5000000 0.5149662 0.1772432), wk = 0.0026882 k( 165) = ( 0.5000000 0.5137190 0.1624730), wk = 0.0026882 k( 166) = ( 0.5000000 0.5124718 0.1477027), wk = 0.0026882 k( 167) = ( 0.5000000 0.5112246 0.1329324), wk = 0.0026882 k( 168) = ( 0.5000000 0.5099774 0.1181622), wk = 0.0026882 k( 169) = ( 0.5000000 0.5087303 0.1033919), wk = 0.0026882 k( 170) = ( 0.5000000 0.5074831 0.0886216), wk = 0.0026882 k( 171) = ( 0.5000000 0.5062359 0.0738513), wk = 0.0026882 k( 172) = ( 0.5000000 0.5049887 0.0590811), wk = 0.0026882 k( 173) = ( 0.5000000 0.5037415 0.0443108), wk = 0.0026882 k( 174) = ( 0.5000000 0.5024944 0.0295405), wk = 0.0026882 k( 175) = ( 0.5000000 0.5012472 0.0147703), wk = 0.0026882 k( 176) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026882 k( 177) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026882 k( 178) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0026882 k( 179) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0026882 k( 180) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0026882 k( 181) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0026882 k( 182) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0026882 k( 183) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0026882 k( 184) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0026882 k( 185) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0026882 k( 186) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0026882 k( 187) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0026882 k( 188) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0026882 k( 189) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0026882 k( 190) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026882 k( 191) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0026882 k( 192) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0026882 k( 193) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0026882 k( 194) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0026882 k( 195) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0026882 k( 196) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0026882 k( 197) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0026882 k( 198) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0026882 k( 199) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0026882 k( 200) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0026882 k( 201) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0026882 k( 202) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0026882 k( 203) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026882 k( 204) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0026882 k( 205) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0026882 k( 206) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0026882 k( 207) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0026882 k( 208) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0026882 k( 209) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0026882 k( 210) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0026882 k( 211) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0026882 k( 212) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0026882 k( 213) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0026882 k( 214) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0026882 k( 215) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0026882 k( 216) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026882 k( 217) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026882 k( 218) = ( 0.0000000 0.5012472 0.0147703), wk = 0.0026882 k( 219) = ( 0.0000000 0.5024944 0.0295405), wk = 0.0026882 k( 220) = ( 0.0000000 0.5037415 0.0443108), wk = 0.0026882 k( 221) = ( 0.0000000 0.5049887 0.0590811), wk = 0.0026882 k( 222) = ( 0.0000000 0.5062359 0.0738513), wk = 0.0026882 k( 223) = ( 0.0000000 0.5074831 0.0886216), wk = 0.0026882 k( 224) = ( 0.0000000 0.5087303 0.1033919), wk = 0.0026882 k( 225) = ( 0.0000000 0.5099774 0.1181622), wk = 0.0026882 k( 226) = ( 0.0000000 0.5112246 0.1329324), wk = 0.0026882 k( 227) = ( 0.0000000 0.5124718 0.1477027), wk = 0.0026882 k( 228) = ( 0.0000000 0.5137190 0.1624730), wk = 0.0026882 k( 229) = ( 0.0000000 0.5149662 0.1772432), wk = 0.0026882 k( 230) = ( 0.0000000 0.5162133 0.1920135), wk = 0.0026882 k( 231) = ( 0.0000000 0.5174605 0.2067838), wk = 0.0026882 k( 232) = ( 0.0000000 0.5187077 0.2215541), wk = 0.0026882 k( 233) = ( 0.0000000 0.5199549 0.2363243), wk = 0.0026882 k( 234) = ( 0.0000000 0.5212021 0.2510946), wk = 0.0026882 k( 235) = ( 0.0000000 0.5224492 0.2658649), wk = 0.0026882 k( 236) = ( 0.0000000 0.5236964 0.2806351), wk = 0.0026882 k( 237) = ( 0.0000000 0.5249436 0.2954054), wk = 0.0026882 k( 238) = ( 0.0000000 0.5261908 0.3101757), wk = 0.0026882 k( 239) = ( 0.0000000 0.5274380 0.3249459), wk = 0.0026882 k( 240) = ( 0.0000000 0.5286851 0.3397162), wk = 0.0026882 k( 241) = ( 0.0000000 0.5299323 0.3544865), wk = 0.0026882 k( 242) = ( 0.0000000 0.5311795 0.3692568), wk = 0.0026882 k( 243) = ( 0.0000000 0.5324267 0.3840270), wk = 0.0026882 k( 244) = ( 0.0000000 0.5336739 0.3987973), wk = 0.0026882 k( 245) = ( 0.5000000 0.4663261 0.6012027), wk = 0.0026882 k( 246) = ( 0.5000000 0.4571825 0.5992183), wk = 0.0026882 k( 247) = ( 0.5000000 0.4480388 0.5972340), wk = 0.0026882 k( 248) = ( 0.5000000 0.4388952 0.5952496), wk = 0.0026882 k( 249) = ( 0.5000000 0.4297515 0.5932652), wk = 0.0026882 k( 250) = ( 0.5000000 0.4206079 0.5912809), wk = 0.0026882 k( 251) = ( 0.5000000 0.4114642 0.5892965), wk = 0.0026882 k( 252) = ( 0.5000000 0.4023206 0.5873121), wk = 0.0026882 k( 253) = ( 0.5000000 0.3931769 0.5853278), wk = 0.0026882 k( 254) = ( 0.5000000 0.3840333 0.5833434), wk = 0.0026882 k( 255) = ( 0.5000000 0.3748896 0.5813590), wk = 0.0026882 k( 256) = ( 0.5000000 0.3657460 0.5793747), wk = 0.0026882 k( 257) = ( 0.5000000 0.3566023 0.5773903), wk = 0.0026882 k( 258) = ( 0.5000000 0.3474587 0.5754059), wk = 0.0026882 k( 259) = ( 0.5000000 0.3383150 0.5734216), wk = 0.0026882 k( 260) = ( 0.5000000 0.3291714 0.5714372), wk = 0.0026882 k( 261) = ( 0.5000000 0.3200277 0.5694528), wk = 0.0026882 k( 262) = ( 0.5000000 0.3108841 0.5674685), wk = 0.0026882 k( 263) = ( 0.5000000 0.3017404 0.5654841), wk = 0.0026882 k( 264) = ( 0.5000000 0.2925968 0.5634997), wk = 0.0026882 k( 265) = ( 0.5000000 0.2834531 0.5615154), wk = 0.0026882 k( 266) = ( 0.5000000 0.2743095 0.5595310), wk = 0.0026882 k( 267) = ( 0.5000000 0.2651658 0.5575466), wk = 0.0026882 k( 268) = ( 0.5000000 0.2560222 0.5555623), wk = 0.0026882 k( 269) = ( 0.5000000 0.2468785 0.5535779), wk = 0.0026882 k( 270) = ( 0.5000000 0.2377349 0.5515935), wk = 0.0026882 k( 271) = ( 0.5000000 0.2285912 0.5496092), wk = 0.0026882 k( 272) = ( 0.5000000 0.2194476 0.5476248), wk = 0.0026882 k( 273) = ( 0.5000000 0.2103039 0.5456404), wk = 0.0026882 k( 274) = ( 0.5000000 0.2011603 0.5436561), wk = 0.0026882 k( 275) = ( 0.5000000 0.1920166 0.5416717), wk = 0.0026882 k( 276) = ( 0.5000000 0.1828730 0.5396873), wk = 0.0026882 k( 277) = ( 0.5000000 0.1737294 0.5377030), wk = 0.0026882 k( 278) = ( 0.5000000 0.1645857 0.5357186), wk = 0.0026882 k( 279) = ( 0.5000000 0.1554420 0.5337342), wk = 0.0026882 k( 280) = ( 0.5000000 0.1462984 0.5317499), wk = 0.0026882 k( 281) = ( 0.5000000 0.1371547 0.5297655), wk = 0.0026882 k( 282) = ( 0.5000000 0.1280111 0.5277811), wk = 0.0026882 k( 283) = ( 0.5000000 0.1188674 0.5257968), wk = 0.0026882 k( 284) = ( 0.5000000 0.1097238 0.5238124), wk = 0.0026882 k( 285) = ( 0.5000000 0.1005801 0.5218280), wk = 0.0026882 k( 286) = ( 0.5000000 0.0914365 0.5198437), wk = 0.0026882 k( 287) = ( 0.5000000 0.0822929 0.5178593), wk = 0.0026882 k( 288) = ( 0.5000000 0.0731492 0.5158749), wk = 0.0026882 k( 289) = ( 0.5000000 0.0640055 0.5138906), wk = 0.0026882 k( 290) = ( 0.5000000 0.0548619 0.5119062), wk = 0.0026882 k( 291) = ( 0.5000000 0.0457182 0.5099218), wk = 0.0026882 k( 292) = ( 0.5000000 0.0365746 0.5079375), wk = 0.0026882 k( 293) = ( 0.5000000 0.0274310 0.5059531), wk = 0.0026882 k( 294) = ( 0.5000000 0.0182873 0.5039687), wk = 0.0026882 k( 295) = ( 0.5000000 0.0091436 0.5019844), wk = 0.0026882 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 298) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0026882 k( 299) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0026882 k( 300) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0026882 k( 301) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0026882 k( 302) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0026882 k( 303) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0026882 k( 304) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0026882 k( 305) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0026882 k( 306) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0026882 k( 307) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0026882 k( 308) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0026882 k( 309) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0026882 k( 310) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0026882 k( 311) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0026882 k( 312) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0026882 k( 313) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0026882 k( 314) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0026882 k( 315) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0026882 k( 316) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0026882 k( 317) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0026882 k( 318) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0026882 k( 319) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0026882 k( 320) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0026882 k( 321) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0026882 k( 322) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0026882 k( 323) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0026882 k( 324) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0026882 k( 325) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0026882 k( 326) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0026882 k( 327) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0026882 k( 328) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0026882 k( 329) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0026882 k( 330) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0026882 k( 331) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0026882 k( 332) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026882 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 334) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0026882 k( 335) = ( 0.0256410 -0.0000000 0.5000000), wk = 0.0026882 k( 336) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0026882 k( 337) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0026882 k( 338) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0026882 k( 339) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0026882 k( 340) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0026882 k( 341) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0026882 k( 342) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0026882 k( 343) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0026882 k( 344) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0026882 k( 345) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0026882 k( 346) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026882 k( 347) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0026882 k( 348) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0026882 k( 349) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0026882 k( 350) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0026882 k( 351) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0026882 k( 352) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0026882 k( 353) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0026882 k( 354) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0026882 k( 355) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0026882 k( 356) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0026882 k( 357) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0026882 k( 358) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0026882 k( 359) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0026882 k( 360) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0026882 k( 361) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0026882 k( 362) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0026882 k( 363) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0026882 k( 364) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0026882 k( 365) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0026882 k( 366) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0026882 k( 367) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0026882 k( 368) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0026882 k( 369) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0026882 k( 370) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0026882 k( 371) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0026882 k( 372) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 Dense grid: 35747 G-vectors FFT dimensions: ( 45, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 250, 52) NL pseudopotentials 0.26 Mb ( 125, 136) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 991) G-vector shells 0.01 Mb ( 967) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 250, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiNi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.2 secs Computing kpt #: 13 total cpu time spent up to now is 16.4 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.5 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.1 secs Computing kpt #: 18 total cpu time spent up to now is 21.1 secs Computing kpt #: 19 total cpu time spent up to now is 22.0 secs Computing kpt #: 20 total cpu time spent up to now is 22.9 secs Computing kpt #: 21 total cpu time spent up to now is 23.7 secs Computing kpt #: 22 total cpu time spent up to now is 24.6 secs Computing kpt #: 23 total cpu time spent up to now is 25.4 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.8 secs Computing kpt #: 27 total cpu time spent up to now is 28.6 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.9 secs Computing kpt #: 31 total cpu time spent up to now is 31.6 secs Computing kpt #: 32 total cpu time spent up to now is 32.4 secs Computing kpt #: 33 total cpu time spent up to now is 33.2 secs Computing kpt #: 34 total cpu time spent up to now is 33.9 secs Computing kpt #: 35 total cpu time spent up to now is 34.7 secs Computing kpt #: 36 total cpu time spent up to now is 35.4 secs Computing kpt #: 37 total cpu time spent up to now is 36.1 secs Computing kpt #: 38 total cpu time spent up to now is 36.9 secs Computing kpt #: 39 total cpu time spent up to now is 37.7 secs Computing kpt #: 40 total cpu time spent up to now is 38.4 secs Computing kpt #: 41 total cpu time spent up to now is 39.2 secs Computing kpt #: 42 total cpu time spent up to now is 39.9 secs Computing kpt #: 43 total cpu time spent up to now is 40.6 secs Computing kpt #: 44 total cpu time spent up to now is 41.4 secs Computing kpt #: 45 total cpu time spent up to now is 42.2 secs Computing kpt #: 46 total cpu time spent up to now is 42.9 secs Computing kpt #: 47 total cpu time spent up to now is 43.7 secs Computing kpt #: 48 total cpu time spent up to now is 44.5 secs Computing kpt #: 49 total cpu time spent up to now is 45.2 secs Computing kpt #: 50 total cpu time spent up to now is 46.0 secs Computing kpt #: 51 total cpu time spent up to now is 46.8 secs Computing kpt #: 52 total cpu time spent up to now is 47.6 secs Computing kpt #: 53 total cpu time spent up to now is 48.4 secs Computing kpt #: 54 total cpu time spent up to now is 49.2 secs Computing kpt #: 55 total cpu time spent up to now is 50.0 secs Computing kpt #: 56 total cpu time spent up to now is 50.8 secs Computing kpt #: 57 total cpu time spent up to now is 51.6 secs Computing kpt #: 58 total cpu time spent up to now is 52.3 secs Computing kpt #: 59 total cpu time spent up to now is 53.2 secs Computing kpt #: 60 total cpu time spent up to now is 54.0 secs Computing kpt #: 61 total cpu time spent up to now is 54.8 secs Computing kpt #: 62 total cpu time spent up to now is 55.6 secs Computing kpt #: 63 total cpu time spent up to now is 56.4 secs Computing kpt #: 64 total cpu time spent up to now is 57.2 secs Computing kpt #: 65 total cpu time spent up to now is 58.0 secs Computing kpt #: 66 total cpu time spent up to now is 58.8 secs Computing kpt #: 67 total cpu time spent up to now is 59.6 secs Computing kpt #: 68 total cpu time spent up to now is 60.3 secs Computing kpt #: 69 total cpu time spent up to now is 61.1 secs Computing kpt #: 70 total cpu time spent up to now is 61.8 secs Computing kpt #: 71 total cpu time spent up to now is 62.6 secs Computing kpt #: 72 total cpu time spent up to now is 63.3 secs Computing kpt #: 73 total cpu time spent up to now is 64.0 secs Computing kpt #: 74 total cpu time spent up to now is 64.7 secs Computing kpt #: 75 total cpu time spent up to now is 65.5 secs Computing kpt #: 76 total cpu time spent up to now is 66.2 secs Computing kpt #: 77 total cpu time spent up to now is 66.9 secs Computing kpt #: 78 total cpu time spent up to now is 67.7 secs Computing kpt #: 79 total cpu time spent up to now is 68.4 secs Computing kpt #: 80 total cpu time spent up to now is 69.1 secs Computing kpt #: 81 total cpu time spent up to now is 69.9 secs Computing kpt #: 82 total cpu time spent up to now is 70.6 secs Computing kpt #: 83 total cpu time spent up to now is 71.3 secs Computing kpt #: 84 total cpu time spent up to now is 72.0 secs Computing kpt #: 85 total cpu time spent up to now is 72.7 secs Computing kpt #: 86 total cpu time spent up to now is 73.5 secs Computing kpt #: 87 total cpu time spent up to now is 74.2 secs Computing kpt #: 88 total cpu time spent up to now is 75.0 secs Computing kpt #: 89 total cpu time spent up to now is 75.7 secs Computing kpt #: 90 total cpu time spent up to now is 76.5 secs Computing kpt #: 91 total cpu time spent up to now is 77.2 secs Computing kpt #: 92 total cpu time spent up to now is 78.0 secs Computing kpt #: 93 total cpu time spent up to now is 78.7 secs Computing kpt #: 94 total cpu time spent up to now is 79.5 secs Computing kpt #: 95 total cpu time spent up to now is 80.3 secs Computing kpt #: 96 total cpu time spent up to now is 81.0 secs Computing kpt #: 97 total cpu time spent up to now is 81.8 secs Computing kpt #: 98 total cpu time spent up to now is 82.6 secs Computing kpt #: 99 total cpu time spent up to now is 83.3 secs Computing kpt #: 100 total cpu time spent up to now is 84.1 secs Computing kpt #: 101 total cpu time spent up to now is 84.8 secs Computing kpt #: 102 total cpu time spent up to now is 85.6 secs Computing kpt #: 103 total cpu time spent up to now is 86.3 secs Computing kpt #: 104 total cpu time spent up to now is 87.1 secs Computing kpt #: 105 total cpu time spent up to now is 87.8 secs Computing kpt #: 106 total cpu time spent up to now is 88.6 secs Computing kpt #: 107 total cpu time spent up to now is 89.3 secs Computing kpt #: 108 total cpu time spent up to now is 90.1 secs Computing kpt #: 109 total cpu time spent up to now is 90.8 secs Computing kpt #: 110 total cpu time spent up to now is 91.5 secs Computing kpt #: 111 total cpu time spent up to now is 92.3 secs Computing kpt #: 112 total cpu time spent up to now is 93.0 secs Computing kpt #: 113 total cpu time spent up to now is 93.7 secs Computing kpt #: 114 total cpu time spent up to now is 94.5 secs Computing kpt #: 115 total cpu time spent up to now is 95.2 secs Computing kpt #: 116 total cpu time spent up to now is 95.9 secs Computing kpt #: 117 total cpu time spent up to now is 96.6 secs Computing kpt #: 118 total cpu time spent up to now is 97.4 secs Computing kpt #: 119 total cpu time spent up to now is 98.1 secs Computing kpt #: 120 total cpu time spent up to now is 98.8 secs Computing kpt #: 121 total cpu time spent up to now is 99.5 secs Computing kpt #: 122 total cpu time spent up to now is 100.2 secs Computing kpt #: 123 total cpu time spent up to now is 101.0 secs Computing kpt #: 124 total cpu time spent up to now is 101.7 secs Computing kpt #: 125 total cpu time spent up to now is 102.4 secs Computing kpt #: 126 total cpu time spent up to now is 103.1 secs Computing kpt #: 127 total cpu time spent up to now is 103.8 secs Computing kpt #: 128 total cpu time spent up to now is 104.5 secs Computing kpt #: 129 total cpu time spent up to now is 105.2 secs Computing kpt #: 130 total cpu time spent up to now is 105.9 secs Computing kpt #: 131 total cpu time spent up to now is 106.6 secs Computing kpt #: 132 total cpu time spent up to now is 107.3 secs Computing kpt #: 133 total cpu time spent up to now is 108.1 secs Computing kpt #: 134 total cpu time spent up to now is 108.8 secs Computing kpt #: 135 total cpu time spent up to now is 109.5 secs Computing kpt #: 136 total cpu time spent up to now is 110.2 secs Computing kpt #: 137 total cpu time spent up to now is 110.9 secs Computing kpt #: 138 total cpu time spent up to now is 111.7 secs Computing kpt #: 139 total cpu time spent up to now is 112.4 secs Computing kpt #: 140 total cpu time spent up to now is 113.1 secs Computing kpt #: 141 total cpu time spent up to now is 113.8 secs Computing kpt #: 142 total cpu time spent up to now is 114.6 secs Computing kpt #: 143 total cpu time spent up to now is 115.3 secs Computing kpt #: 144 total cpu time spent up to now is 116.0 secs Computing kpt #: 145 total cpu time spent up to now is 116.7 secs Computing kpt #: 146 total cpu time spent up to now is 117.5 secs Computing kpt #: 147 total cpu time spent up to now is 118.2 secs Computing kpt #: 148 total cpu time spent up to now is 118.9 secs Computing kpt #: 149 total cpu time spent up to now is 119.6 secs Computing kpt #: 150 total cpu time spent up to now is 120.4 secs Computing kpt #: 151 total cpu time spent up to now is 121.1 secs Computing kpt #: 152 total cpu time spent up to now is 121.8 secs Computing kpt #: 153 total cpu time spent up to now is 122.5 secs Computing kpt #: 154 total cpu time spent up to now is 123.2 secs Computing kpt #: 155 total cpu time spent up to now is 124.0 secs Computing kpt #: 156 total cpu time spent up to now is 124.7 secs Computing kpt #: 157 total cpu time spent up to now is 125.4 secs Computing kpt #: 158 total cpu time spent up to now is 126.1 secs Computing kpt #: 159 total cpu time spent up to now is 126.9 secs Computing kpt #: 160 total cpu time spent up to now is 127.6 secs Computing kpt #: 161 total cpu time spent up to now is 128.3 secs Computing kpt #: 162 total cpu time spent up to now is 129.0 secs Computing kpt #: 163 total cpu time spent up to now is 129.7 secs Computing kpt #: 164 total cpu time spent up to now is 130.5 secs Computing kpt #: 165 total cpu time spent up to now is 131.2 secs Computing kpt #: 166 total cpu time spent up to now is 131.9 secs Computing kpt #: 167 total cpu time spent up to now is 132.6 secs Computing kpt #: 168 total cpu time spent up to now is 133.3 secs Computing kpt #: 169 total cpu time spent up to now is 134.0 secs Computing kpt #: 170 total cpu time spent up to now is 134.7 secs Computing kpt #: 171 total cpu time spent up to now is 135.4 secs Computing kpt #: 172 total cpu time spent up to now is 136.1 secs Computing kpt #: 173 total cpu time spent up to now is 136.8 secs Computing kpt #: 174 total cpu time spent up to now is 137.5 secs Computing kpt #: 175 total cpu time spent up to now is 138.2 secs Computing kpt #: 176 total cpu time spent up to now is 138.9 secs Computing kpt #: 177 total cpu time spent up to now is 139.6 secs Computing kpt #: 178 total cpu time spent up to now is 140.3 secs Computing kpt #: 179 total cpu time spent up to now is 141.0 secs Computing kpt #: 180 total cpu time spent up to now is 141.7 secs Computing kpt #: 181 total cpu time spent up to now is 142.5 secs Computing kpt #: 182 total cpu time spent up to now is 143.2 secs Computing kpt #: 183 total cpu time spent up to now is 143.9 secs Computing kpt #: 184 total cpu time spent up to now is 144.7 secs Computing kpt #: 185 total cpu time spent up to now is 145.4 secs Computing kpt #: 186 total cpu time spent up to now is 146.2 secs Computing kpt #: 187 total cpu time spent up to now is 146.9 secs Computing kpt #: 188 total cpu time spent up to now is 147.7 secs Computing kpt #: 189 total cpu time spent up to now is 148.4 secs Computing kpt #: 190 total cpu time spent up to now is 149.2 secs Computing kpt #: 191 total cpu time spent up to now is 149.9 secs Computing kpt #: 192 total cpu time spent up to now is 150.7 secs Computing kpt #: 193 total cpu time spent up to now is 151.4 secs Computing kpt #: 194 total cpu time spent up to now is 152.2 secs Computing kpt #: 195 total cpu time spent up to now is 152.9 secs Computing kpt #: 196 total cpu time spent up to now is 153.7 secs Computing kpt #: 197 total cpu time spent up to now is 154.6 secs Computing kpt #: 198 total cpu time spent up to now is 155.4 secs Computing kpt #: 199 total cpu time spent up to now is 156.3 secs Computing kpt #: 200 total cpu time spent up to now is 157.2 secs Computing kpt #: 201 total cpu time spent up to now is 158.1 secs Computing kpt #: 202 total cpu time spent up to now is 158.9 secs Computing kpt #: 203 total cpu time spent up to now is 159.8 secs Computing kpt #: 204 total cpu time spent up to now is 160.6 secs Computing kpt #: 205 total cpu time spent up to now is 161.4 secs Computing kpt #: 206 total cpu time spent up to now is 162.2 secs Computing kpt #: 207 total cpu time spent up to now is 163.0 secs Computing kpt #: 208 total cpu time spent up to now is 163.8 secs Computing kpt #: 209 total cpu time spent up to now is 164.6 secs Computing kpt #: 210 total cpu time spent up to now is 165.4 secs Computing kpt #: 211 total cpu time spent up to now is 166.1 secs Computing kpt #: 212 total cpu time spent up to now is 166.8 secs Computing kpt #: 213 total cpu time spent up to now is 167.8 secs Computing kpt #: 214 total cpu time spent up to now is 168.6 secs Computing kpt #: 215 total cpu time spent up to now is 169.3 secs Computing kpt #: 216 total cpu time spent up to now is 170.1 secs Computing kpt #: 217 total cpu time spent up to now is 170.8 secs Computing kpt #: 218 total cpu time spent up to now is 171.6 secs Computing kpt #: 219 total cpu time spent up to now is 172.3 secs Computing kpt #: 220 total cpu time spent up to now is 173.0 secs Computing kpt #: 221 total cpu time spent up to now is 173.8 secs Computing kpt #: 222 total cpu time spent up to now is 174.6 secs Computing kpt #: 223 total cpu time spent up to now is 175.3 secs Computing kpt #: 224 total cpu time spent up to now is 176.0 secs Computing kpt #: 225 total cpu time spent up to now is 176.8 secs Computing kpt #: 226 total cpu time spent up to now is 177.6 secs Computing kpt #: 227 total cpu time spent up to now is 178.4 secs Computing kpt #: 228 total cpu time spent up to now is 179.1 secs Computing kpt #: 229 total cpu time spent up to now is 180.0 secs Computing kpt #: 230 total cpu time spent up to now is 180.8 secs Computing kpt #: 231 total cpu time spent up to now is 181.6 secs Computing kpt #: 232 total cpu time spent up to now is 182.5 secs Computing kpt #: 233 total cpu time spent up to now is 183.4 secs Computing kpt #: 234 total cpu time spent up to now is 184.4 secs Computing kpt #: 235 total cpu time spent up to now is 185.6 secs Computing kpt #: 236 total cpu time spent up to now is 186.4 secs Computing kpt #: 237 total cpu time spent up to now is 187.3 secs Computing kpt #: 238 total cpu time spent up to now is 188.1 secs Computing kpt #: 239 total cpu time spent up to now is 188.9 secs Computing kpt #: 240 total cpu time spent up to now is 189.7 secs Computing kpt #: 241 total cpu time spent up to now is 190.4 secs Computing kpt #: 242 total cpu time spent up to now is 191.2 secs Computing kpt #: 243 total cpu time spent up to now is 192.0 secs Computing kpt #: 244 total cpu time spent up to now is 192.7 secs Computing kpt #: 245 total cpu time spent up to now is 193.5 secs Computing kpt #: 246 total cpu time spent up to now is 194.2 secs Computing kpt #: 247 total cpu time spent up to now is 194.9 secs Computing kpt #: 248 total cpu time spent up to now is 195.6 secs Computing kpt #: 249 total cpu time spent up to now is 196.4 secs Computing kpt #: 250 total cpu time spent up to now is 197.1 secs Computing kpt #: 251 total cpu time spent up to now is 197.9 secs Computing kpt #: 252 total cpu time spent up to now is 198.6 secs Computing kpt #: 253 total cpu time spent up to now is 199.4 secs Computing kpt #: 254 total cpu time spent up to now is 200.2 secs Computing kpt #: 255 total cpu time spent up to now is 201.0 secs Computing kpt #: 256 total cpu time spent up to now is 201.8 secs Computing kpt #: 257 total cpu time spent up to now is 202.6 secs Computing kpt #: 258 total cpu time spent up to now is 203.5 secs Computing kpt #: 259 total cpu time spent up to now is 204.3 secs Computing kpt #: 260 total cpu time spent up to now is 205.1 secs Computing kpt #: 261 total cpu time spent up to now is 205.9 secs Computing kpt #: 262 total cpu time spent up to now is 206.8 secs Computing kpt #: 263 total cpu time spent up to now is 207.6 secs Computing kpt #: 264 total cpu time spent up to now is 208.4 secs Computing kpt #: 265 total cpu time spent up to now is 209.3 secs Computing kpt #: 266 total cpu time spent up to now is 210.1 secs Computing kpt #: 267 total cpu time spent up to now is 210.9 secs Computing kpt #: 268 total cpu time spent up to now is 211.8 secs Computing kpt #: 269 total cpu time spent up to now is 212.6 secs Computing kpt #: 270 total cpu time spent up to now is 213.4 secs Computing kpt #: 271 total cpu time spent up to now is 214.2 secs Computing kpt #: 272 total cpu time spent up to now is 215.1 secs Computing kpt #: 273 total cpu time spent up to now is 215.9 secs Computing kpt #: 274 total cpu time spent up to now is 216.8 secs Computing kpt #: 275 total cpu time spent up to now is 217.6 secs Computing kpt #: 276 total cpu time spent up to now is 218.4 secs Computing kpt #: 277 total cpu time spent up to now is 219.3 secs Computing kpt #: 278 total cpu time spent up to now is 220.1 secs Computing kpt #: 279 total cpu time spent up to now is 220.9 secs Computing kpt #: 280 total cpu time spent up to now is 221.8 secs Computing kpt #: 281 total cpu time spent up to now is 222.6 secs Computing kpt #: 282 total cpu time spent up to now is 223.4 secs Computing kpt #: 283 total cpu time spent up to now is 224.3 secs Computing kpt #: 284 total cpu time spent up to now is 225.1 secs Computing kpt #: 285 total cpu time spent up to now is 225.8 secs Computing kpt #: 286 total cpu time spent up to now is 226.7 secs Computing kpt #: 287 total cpu time spent up to now is 227.5 secs Computing kpt #: 288 total cpu time spent up to now is 228.3 secs Computing kpt #: 289 total cpu time spent up to now is 229.1 secs Computing kpt #: 290 total cpu time spent up to now is 229.9 secs Computing kpt #: 291 total cpu time spent up to now is 230.7 secs Computing kpt #: 292 total cpu time spent up to now is 231.5 secs Computing kpt #: 293 total cpu time spent up to now is 232.3 secs Computing kpt #: 294 total cpu time spent up to now is 233.1 secs Computing kpt #: 295 total cpu time spent up to now is 233.9 secs Computing kpt #: 296 total cpu time spent up to now is 234.7 secs Computing kpt #: 297 total cpu time spent up to now is 235.5 secs Computing kpt #: 298 total cpu time spent up to now is 236.4 secs Computing kpt #: 299 total cpu time spent up to now is 237.2 secs Computing kpt #: 300 total cpu time spent up to now is 238.0 secs Computing kpt #: 301 total cpu time spent up to now is 238.8 secs Computing kpt #: 302 total cpu time spent up to now is 239.6 secs Computing kpt #: 303 total cpu time spent up to now is 240.4 secs Computing kpt #: 304 total cpu time spent up to now is 241.2 secs Computing kpt #: 305 total cpu time spent up to now is 242.0 secs Computing kpt #: 306 total cpu time spent up to now is 242.8 secs Computing kpt #: 307 total cpu time spent up to now is 243.6 secs Computing kpt #: 308 total cpu time spent up to now is 244.4 secs Computing kpt #: 309 total cpu time spent up to now is 245.2 secs Computing kpt #: 310 total cpu time spent up to now is 246.0 secs Computing kpt #: 311 total cpu time spent up to now is 246.8 secs Computing kpt #: 312 total cpu time spent up to now is 247.6 secs Computing kpt #: 313 total cpu time spent up to now is 248.4 secs Computing kpt #: 314 total cpu time spent up to now is 249.2 secs Computing kpt #: 315 total cpu time spent up to now is 250.0 secs Computing kpt #: 316 total cpu time spent up to now is 250.8 secs Computing kpt #: 317 total cpu time spent up to now is 251.6 secs Computing kpt #: 318 total cpu time spent up to now is 252.4 secs Computing kpt #: 319 total cpu time spent up to now is 253.2 secs Computing kpt #: 320 total cpu time spent up to now is 254.0 secs Computing kpt #: 321 total cpu time spent up to now is 254.7 secs Computing kpt #: 322 total cpu time spent up to now is 255.5 secs Computing kpt #: 323 total cpu time spent up to now is 256.2 secs Computing kpt #: 324 total cpu time spent up to now is 257.0 secs Computing kpt #: 325 total cpu time spent up to now is 257.7 secs Computing kpt #: 326 total cpu time spent up to now is 258.4 secs Computing kpt #: 327 total cpu time spent up to now is 259.1 secs Computing kpt #: 328 total cpu time spent up to now is 259.9 secs Computing kpt #: 329 total cpu time spent up to now is 260.6 secs Computing kpt #: 330 total cpu time spent up to now is 261.3 secs Computing kpt #: 331 total cpu time spent up to now is 261.9 secs Computing kpt #: 332 total cpu time spent up to now is 262.6 secs Computing kpt #: 333 total cpu time spent up to now is 263.3 secs Computing kpt #: 334 total cpu time spent up to now is 264.1 secs Computing kpt #: 335 total cpu time spent up to now is 264.8 secs Computing kpt #: 336 total cpu time spent up to now is 265.5 secs Computing kpt #: 337 total cpu time spent up to now is 266.3 secs Computing kpt #: 338 total cpu time spent up to now is 267.1 secs Computing kpt #: 339 total cpu time spent up to now is 267.9 secs Computing kpt #: 340 total cpu time spent up to now is 268.7 secs Computing kpt #: 341 total cpu time spent up to now is 269.5 secs Computing kpt #: 342 total cpu time spent up to now is 270.3 secs Computing kpt #: 343 total cpu time spent up to now is 271.0 secs Computing kpt #: 344 total cpu time spent up to now is 271.8 secs Computing kpt #: 345 total cpu time spent up to now is 272.6 secs Computing kpt #: 346 total cpu time spent up to now is 273.4 secs Computing kpt #: 347 total cpu time spent up to now is 274.2 secs Computing kpt #: 348 total cpu time spent up to now is 275.0 secs Computing kpt #: 349 total cpu time spent up to now is 275.8 secs Computing kpt #: 350 total cpu time spent up to now is 276.6 secs Computing kpt #: 351 total cpu time spent up to now is 277.4 secs Computing kpt #: 352 total cpu time spent up to now is 278.2 secs Computing kpt #: 353 total cpu time spent up to now is 279.0 secs Computing kpt #: 354 total cpu time spent up to now is 279.8 secs Computing kpt #: 355 total cpu time spent up to now is 280.6 secs Computing kpt #: 356 total cpu time spent up to now is 281.3 secs Computing kpt #: 357 total cpu time spent up to now is 282.1 secs Computing kpt #: 358 total cpu time spent up to now is 282.9 secs Computing kpt #: 359 total cpu time spent up to now is 283.7 secs Computing kpt #: 360 total cpu time spent up to now is 284.5 secs Computing kpt #: 361 total cpu time spent up to now is 285.3 secs Computing kpt #: 362 total cpu time spent up to now is 286.1 secs Computing kpt #: 363 total cpu time spent up to now is 286.9 secs Computing kpt #: 364 total cpu time spent up to now is 287.7 secs Computing kpt #: 365 total cpu time spent up to now is 288.6 secs Computing kpt #: 366 total cpu time spent up to now is 289.4 secs Computing kpt #: 367 total cpu time spent up to now is 290.2 secs Computing kpt #: 368 total cpu time spent up to now is 291.0 secs Computing kpt #: 369 total cpu time spent up to now is 291.8 secs Computing kpt #: 370 total cpu time spent up to now is 292.7 secs Computing kpt #: 371 total cpu time spent up to now is 293.5 secs Computing kpt #: 372 total cpu time spent up to now is 294.3 secs ethr = 2.27E-08, avg # of iterations = 36.1 total cpu time spent up to now is 294.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4471 PWs) bands (ev): -42.9096 -42.9096 -42.8656 -42.8656 -19.5946 -19.5946 -19.4643 -19.4643 -19.0097 -19.0097 -18.8308 -18.8308 -18.8168 -18.8168 -18.7679 -18.7679 6.5137 6.5137 10.0566 10.0566 10.4174 10.4174 10.5337 10.5337 10.6248 10.6248 11.6835 11.6835 12.0112 12.0112 12.0300 12.0300 12.2792 12.2792 12.5326 12.5326 12.6707 12.6707 12.8395 12.8395 13.7784 13.7784 14.4124 14.4124 14.4971 14.4971 14.5482 14.5482 15.3479 15.3479 16.2757 16.2757 k = 0.0000 0.0000 0.0127 ( 4465 PWs) bands (ev): -42.9096 -42.9096 -42.8656 -42.8656 -19.5946 -19.5946 -19.4643 -19.4643 -19.0097 -19.0097 -18.8309 -18.8309 -18.8168 -18.8168 -18.7679 -18.7679 6.5153 6.5153 10.0569 10.0569 10.4167 10.4167 10.5344 10.5344 10.6248 10.6248 11.6835 11.6835 12.0104 12.0104 12.0305 12.0305 12.2792 12.2792 12.5320 12.5320 12.6697 12.6697 12.8386 12.8386 13.7772 13.7772 14.4121 14.4121 14.4972 14.4972 14.5480 14.5480 15.3438 15.3438 16.2753 16.2754 k = 0.0000 0.0000 0.0255 ( 4463 PWs) bands (ev): -42.9095 -42.9095 -42.8656 -42.8656 -19.5944 -19.5944 -19.4645 -19.4645 -19.0095 -19.0095 -18.8311 -18.8311 -18.8167 -18.8167 -18.7680 -18.7680 6.5202 6.5202 10.0579 10.0579 10.4145 10.4145 10.5366 10.5366 10.6249 10.6249 11.6835 11.6835 12.0080 12.0080 12.0317 12.0317 12.2792 12.2792 12.5302 12.5302 12.6668 12.6668 12.8359 12.8359 13.7735 13.7735 14.4111 14.4111 14.4976 14.4976 14.5475 14.5475 15.3317 15.3317 16.2742 16.2742 k = 0.0000 0.0000 0.0382 ( 4462 PWs) bands (ev): -42.9095 -42.9095 -42.8657 -42.8657 -19.5942 -19.5942 -19.4647 -19.4647 -19.0092 -19.0092 -18.8315 -18.8315 -18.8166 -18.8166 -18.7681 -18.7681 6.5285 6.5285 10.0593 10.0593 10.4109 10.4109 10.5401 10.5401 10.6250 10.6250 11.6835 11.6835 12.0041 12.0041 12.0335 12.0335 12.2792 12.2792 12.5272 12.5272 12.6618 12.6618 12.8313 12.8313 13.7675 13.7675 14.4096 14.4096 14.4982 14.4982 14.5467 14.5467 15.3125 15.3125 16.2726 16.2727 k = 0.0000 0.0000 0.0510 ( 4460 PWs) bands (ev): -42.9094 -42.9094 -42.8658 -42.8658 -19.5939 -19.5939 -19.4651 -19.4651 -19.0087 -19.0087 -18.8320 -18.8320 -18.8165 -18.8165 -18.7683 -18.7683 6.5400 6.5400 10.0611 10.0611 10.4061 10.4061 10.5451 10.5451 10.6252 10.6252 11.6834 11.6834 11.9986 11.9986 12.0359 12.0359 12.2792 12.2792 12.5232 12.5232 12.6550 12.6550 12.8252 12.8252 13.7594 13.7594 14.4075 14.4075 14.4989 14.4989 14.5455 14.5455 15.2872 15.2872 16.2706 16.2706 k = 0.0000 0.0000 0.0637 ( 4456 PWs) bands (ev): -42.9092 -42.9092 -42.8659 -42.8659 -19.5935 -19.5935 -19.4655 -19.4655 -19.0081 -19.0081 -18.8327 -18.8327 -18.8164 -18.8164 -18.7686 -18.7686 6.5547 6.5547 10.0628 10.0628 10.4003 10.4003 10.5514 10.5514 10.6255 10.6255 11.6834 11.6834 11.9916 11.9916 12.0388 12.0388 12.2791 12.2791 12.5181 12.5181 12.6462 12.6462 12.8174 12.8174 13.7493 13.7493 14.4050 14.4050 14.4997 14.4997 14.5439 14.5439 15.2571 15.2571 16.2684 16.2684 k = 0.0000 0.0000 0.0765 ( 4459 PWs) bands (ev): -42.9091 -42.9091 -42.8660 -42.8660 -19.5929 -19.5929 -19.4660 -19.4660 -19.0074 -19.0074 -18.8335 -18.8335 -18.8162 -18.8162 -18.7689 -18.7689 6.5727 6.5727 10.0640 10.0640 10.3938 10.3938 10.5591 10.5591 10.6258 10.6258 11.6834 11.6834 11.9829 11.9829 12.0420 12.0420 12.2790 12.2790 12.5121 12.5121 12.6355 12.6355 12.8083 12.8083 13.7377 13.7377 14.4022 14.4022 14.5006 14.5006 14.5419 14.5419 15.2234 15.2234 16.2660 16.2660 k = 0.0000 0.0000 0.0892 ( 4463 PWs) bands (ev): -42.9089 -42.9089 -42.8662 -42.8662 -19.5923 -19.5923 -19.4667 -19.4667 -19.0066 -19.0066 -18.8344 -18.8344 -18.8160 -18.8160 -18.7692 -18.7692 6.5939 6.5939 10.0641 10.0641 10.3871 10.3871 10.5682 10.5682 10.6263 10.6263 11.6833 11.6833 11.9723 11.9723 12.0456 12.0456 12.2790 12.2790 12.5053 12.5053 12.6229 12.6229 12.7980 12.7980 13.7247 13.7247 14.3992 14.3992 14.5015 14.5015 14.5395 14.5395 15.1873 15.1873 16.2636 16.2636 k = 0.0000 0.0000 0.1020 ( 4463 PWs) bands (ev): -42.9087 -42.9087 -42.8664 -42.8664 -19.5917 -19.5917 -19.4674 -19.4674 -19.0056 -19.0056 -18.8355 -18.8355 -18.8158 -18.8158 -18.7696 -18.7696 6.6183 6.6183 10.0624 10.0624 10.3809 10.3809 10.5785 10.5785 10.6269 10.6269 11.6832 11.6832 11.9598 11.9598 12.0495 12.0495 12.2788 12.2788 12.4979 12.4979 12.6086 12.6086 12.7867 12.7867 13.7108 13.7108 14.3960 14.3960 14.5023 14.5023 14.5367 14.5367 15.1498 15.1498 16.2613 16.2613 k = 0.0000 0.0000 0.1147 ( 4469 PWs) bands (ev): -42.9085 -42.9085 -42.8666 -42.8666 -19.5909 -19.5909 -19.4682 -19.4682 -19.0046 -19.0046 -18.8367 -18.8367 -18.8156 -18.8156 -18.7701 -18.7701 6.6459 6.6459 10.0579 10.0579 10.3757 10.3757 10.5901 10.5901 10.6278 10.6278 11.6831 11.6831 11.9452 11.9452 12.0536 12.0536 12.2787 12.2787 12.4901 12.4901 12.5925 12.5925 12.7746 12.7746 13.6962 13.6962 14.3927 14.3927 14.5030 14.5030 14.5334 14.5334 15.1119 15.1119 16.2589 16.2589 k = 0.0000 0.0000 0.1275 ( 4473 PWs) bands (ev): -42.9082 -42.9082 -42.8668 -42.8668 -19.5900 -19.5900 -19.4691 -19.4691 -19.0034 -19.0034 -18.8380 -18.8380 -18.8154 -18.8154 -18.7705 -18.7705 6.6765 6.6765 10.0496 10.0496 10.3724 10.3724 10.6028 10.6028 10.6291 10.6291 11.6830 11.6830 11.9287 11.9287 12.0577 12.0577 12.2785 12.2785 12.4821 12.4821 12.5747 12.5747 12.7620 12.7620 13.6812 13.6812 14.3895 14.3895 14.5035 14.5035 14.5299 14.5299 15.0743 15.0743 16.2565 16.2565 k = 0.0000 0.0000 0.1402 ( 4473 PWs) bands (ev): -42.9080 -42.9080 -42.8671 -42.8671 -19.5891 -19.5891 -19.4701 -19.4701 -19.0021 -19.0021 -18.8394 -18.8394 -18.8152 -18.8152 -18.7711 -18.7711 6.7103 6.7103 10.0367 10.0367 10.3717 10.3717 10.6159 10.6159 10.6315 10.6315 11.6828 11.6828 11.9101 11.9101 12.0619 12.0619 12.2782 12.2782 12.4740 12.4740 12.5554 12.5554 12.7489 12.7489 13.6661 13.6661 14.3862 14.3862 14.5035 14.5035 14.5262 14.5262 15.0376 15.0376 16.2540 16.2540 k = 0.0000 0.0000 0.1530 ( 4471 PWs) bands (ev): -42.9077 -42.9077 -42.8673 -42.8673 -19.5881 -19.5881 -19.4711 -19.4711 -19.0007 -19.0007 -18.8410 -18.8410 -18.8150 -18.8150 -18.7716 -18.7716 6.7471 6.7471 10.0185 10.0185 10.3740 10.3740 10.6258 10.6258 10.6386 10.6386 11.6825 11.6825 11.8897 11.8897 12.0660 12.0660 12.2779 12.2779 12.4659 12.4659 12.5348 12.5348 12.7355 12.7355 13.6511 13.6511 14.3831 14.3831 14.5025 14.5025 14.5229 14.5229 15.0024 15.0024 16.2512 16.2512 k = 0.0000 0.0000 0.1657 ( 4469 PWs) bands (ev): -42.9074 -42.9074 -42.8676 -42.8676 -19.5870 -19.5870 -19.4722 -19.4722 -18.9992 -18.9992 -18.8426 -18.8426 -18.8147 -18.8147 -18.7721 -18.7721 6.7869 6.7869 9.9944 9.9944 10.3794 10.3794 10.6300 10.6300 10.6529 10.6529 11.6821 11.6821 11.8676 11.8676 12.0698 12.0698 12.2776 12.2776 12.4576 12.4576 12.5133 12.5133 12.7221 12.7221 13.6364 13.6364 14.3801 14.3801 14.4997 14.4997 14.5208 14.5208 14.9690 14.9690 16.2475 16.2475 k = 0.0000 0.0000 0.1785 ( 4471 PWs) bands (ev): -42.9070 -42.9070 -42.8679 -42.8679 -19.5859 -19.5859 -19.4734 -19.4734 -18.9976 -18.9976 -18.8443 -18.8443 -18.8145 -18.8145 -18.7727 -18.7727 6.8296 6.8296 9.9646 9.9646 10.3877 10.3877 10.6328 10.6328 10.6702 10.6702 11.6817 11.6817 11.8441 11.8441 12.0734 12.0734 12.2771 12.2771 12.4483 12.4483 12.4919 12.4919 12.7088 12.7088 13.6221 13.6221 14.3773 14.3773 14.4946 14.4946 14.5201 14.5201 14.9378 14.9378 16.2420 16.2421 k = 0.0000 0.0000 0.1912 ( 4472 PWs) bands (ev): -42.9067 -42.9067 -42.8683 -42.8683 -19.5847 -19.5847 -19.4747 -19.4747 -18.9959 -18.9959 -18.8461 -18.8461 -18.8143 -18.8143 -18.7733 -18.7733 6.8752 6.8752 9.9289 9.9289 10.3987 10.3987 10.6357 10.6357 10.6890 10.6890 11.6810 11.6810 11.8197 11.8197 12.0767 12.0767 12.2766 12.2766 12.4358 12.4358 12.4729 12.4729 12.6956 12.6956 13.6083 13.6083 14.3748 14.3748 14.4877 14.4877 14.5208 14.5208 14.9090 14.9090 16.2315 16.2315 k = 0.0000 0.0000 0.2040 ( 4465 PWs) bands (ev): -42.9063 -42.9063 -42.8686 -42.8686 -19.5834 -19.5834 -19.4760 -19.4760 -18.9941 -18.9941 -18.8480 -18.8480 -18.8140 -18.8140 -18.7739 -18.7739 6.9236 6.9236 9.8878 9.8878 10.4118 10.4118 10.6389 10.6389 10.7090 10.7090 11.6801 11.6801 11.7948 11.7948 12.0795 12.0795 12.2759 12.2759 12.4173 12.4173 12.4595 12.4595 12.6827 12.6827 13.5951 13.5951 14.3725 14.3725 14.4793 14.4793 14.5222 14.5222 14.8827 14.8827 16.2082 16.2082 k = 0.0000 0.0000 0.2167 ( 4468 PWs) bands (ev): -42.9060 -42.9060 -42.8690 -42.8690 -19.5821 -19.5821 -19.4773 -19.4773 -18.9923 -18.9923 -18.8500 -18.8500 -18.8138 -18.8138 -18.7745 -18.7745 6.9746 6.9746 9.8415 9.8415 10.4264 10.4264 10.6428 10.6428 10.7300 10.7300 11.6786 11.6786 11.7700 11.7700 12.0818 12.0818 12.2751 12.2751 12.3933 12.3933 12.4513 12.4513 12.6702 12.6702 13.5825 13.5825 14.3706 14.3706 14.4697 14.4697 14.5241 14.5241 14.8591 14.8591 16.1690 16.1690 k = 0.0000 0.0000 0.2295 ( 4468 PWs) bands (ev): -42.9056 -42.9056 -42.8693 -42.8693 -19.5808 -19.5808 -19.4787 -19.4787 -18.9904 -18.9904 -18.8520 -18.8520 -18.8136 -18.8136 -18.7751 -18.7751 7.0283 7.0283 9.7904 9.7904 10.4420 10.4420 10.6474 10.6474 10.7520 10.7520 11.6762 11.6762 11.7462 11.7462 12.0836 12.0836 12.2740 12.2740 12.3664 12.3664 12.4459 12.4459 12.6581 12.6581 13.5706 13.5706 14.3690 14.3690 14.4593 14.4593 14.5264 14.5264 14.8381 14.8381 16.1217 16.1217 k = 0.0000 0.0000 0.2422 ( 4466 PWs) bands (ev): -42.9052 -42.9052 -42.8697 -42.8697 -19.5794 -19.5794 -19.4802 -19.4802 -18.9885 -18.9885 -18.8541 -18.8541 -18.8133 -18.8133 -18.7757 -18.7757 7.0845 7.0845 9.7347 9.7347 10.4580 10.4580 10.6529 10.6529 10.7747 10.7747 11.6718 11.6718 11.7248 11.7248 12.0848 12.0848 12.2722 12.2722 12.3383 12.3383 12.4419 12.4419 12.6466 12.6466 13.5593 13.5593 14.3677 14.3677 14.4482 14.4482 14.5290 14.5290 14.8197 14.8197 16.0718 16.0718 k = 0.0000 0.0000 0.2550 ( 4462 PWs) bands (ev): -42.9048 -42.9048 -42.8700 -42.8700 -19.5780 -19.5780 -19.4816 -19.4816 -18.9865 -18.9865 -18.8562 -18.8562 -18.8131 -18.8131 -18.7763 -18.7763 7.1431 7.1431 9.6749 9.6749 10.4740 10.4740 10.6594 10.6594 10.7982 10.7982 11.6632 11.6632 11.7084 11.7084 12.0853 12.0853 12.2687 12.2687 12.3110 12.3110 12.4388 12.4388 12.6358 12.6358 13.5487 13.5487 14.3668 14.3668 14.4367 14.4367 14.5317 14.5317 14.8036 14.8036 16.0217 16.0217 k = 0.0000 0.0000 0.2677 ( 4460 PWs) bands (ev): -42.9044 -42.9044 -42.8704 -42.8704 -19.5766 -19.5766 -19.4831 -19.4831 -18.9845 -18.9845 -18.8584 -18.8584 -18.8129 -18.8129 -18.7769 -18.7769 7.2038 7.2038 9.6114 9.6114 10.4894 10.4894 10.6670 10.6670 10.8222 10.8222 11.6490 11.6490 11.6985 11.6985 12.0851 12.0851 12.2585 12.2585 12.2900 12.2900 12.4362 12.4362 12.6256 12.6256 13.5387 13.5387 14.3662 14.3662 14.4250 14.4250 14.5345 14.5345 14.7897 14.7897 15.9724 15.9724 k = 0.0000 0.0000 0.2805 ( 4458 PWs) bands (ev): -42.9041 -42.9041 -42.8708 -42.8708 -19.5752 -19.5752 -19.4846 -19.4846 -18.9824 -18.9824 -18.8605 -18.8605 -18.8127 -18.8127 -18.7775 -18.7775 7.2667 7.2667 9.5445 9.5445 10.5039 10.5039 10.6758 10.6758 10.8467 10.8467 11.6314 11.6314 11.6934 11.6934 12.0840 12.0840 12.2361 12.2361 12.2811 12.2811 12.4340 12.4340 12.6162 12.6162 13.5293 13.5293 14.3659 14.3659 14.4134 14.4134 14.5373 14.5373 14.7777 14.7777 15.9248 15.9248 k = 0.0000 0.0000 0.2932 ( 4454 PWs) bands (ev): -42.9037 -42.9037 -42.8711 -42.8711 -19.5738 -19.5738 -19.4860 -19.4860 -18.9804 -18.9804 -18.8627 -18.8627 -18.8125 -18.8125 -18.7780 -18.7780 7.3314 7.3314 9.4748 9.4748 10.5170 10.5170 10.6858 10.6858 10.8714 10.8714 11.6128 11.6128 11.6905 11.6905 12.0819 12.0819 12.2087 12.2087 12.2779 12.2779 12.4319 12.4319 12.6076 12.6076 13.5205 13.5205 14.3658 14.3658 14.4023 14.4023 14.5401 14.5401 14.7676 14.7676 15.8792 15.8792 k = 0.0000 0.0000 0.3060 ( 4456 PWs) bands (ev): -42.9033 -42.9033 -42.8715 -42.8715 -19.5724 -19.5724 -19.4875 -19.4875 -18.9784 -18.9784 -18.8648 -18.8648 -18.8123 -18.8123 -18.7786 -18.7786 7.3978 7.3978 9.4026 9.4026 10.5287 10.5287 10.6968 10.6968 10.8962 10.8962 11.5948 11.5948 11.6888 11.6888 12.0782 12.0782 12.1812 12.1812 12.2763 12.2763 12.4299 12.4299 12.5999 12.5999 13.5123 13.5123 14.3656 14.3656 14.3918 14.3918 14.5428 14.5428 14.7590 14.7590 15.8362 15.8362 k = 0.0000 0.0000 0.3187 ( 4454 PWs) bands (ev): -42.9030 -42.9030 -42.8718 -42.8718 -19.5710 -19.5710 -19.4889 -19.4889 -18.9765 -18.9765 -18.8669 -18.8669 -18.8121 -18.8121 -18.7790 -18.7790 7.4655 7.4655 9.3286 9.3286 10.5389 10.5389 10.7085 10.7085 10.9208 10.9208 11.5780 11.5780 11.6874 11.6874 12.0720 12.0720 12.1560 12.1560 12.2753 12.2753 12.4280 12.4280 12.5930 12.5930 13.5047 13.5047 14.3647 14.3647 14.3829 14.3829 14.5454 14.5454 14.7517 14.7517 15.7960 15.7960 k = 0.0000 0.0000 0.3315 ( 4452 PWs) bands (ev): -42.9026 -42.9026 -42.8721 -42.8721 -19.5697 -19.5697 -19.4902 -19.4902 -18.9746 -18.9746 -18.8689 -18.8689 -18.8119 -18.8119 -18.7795 -18.7795 7.5342 7.5342 9.2534 9.2534 10.5476 10.5476 10.7208 10.7208 10.9449 10.9449 11.5627 11.5627 11.6863 11.6863 12.0619 12.0619 12.1352 12.1352 12.2745 12.2745 12.4260 12.4260 12.5869 12.5869 13.4976 13.4976 14.3616 14.3616 14.3771 14.3771 14.5477 14.5477 14.7456 14.7456 15.7590 15.7590 k = 0.0000 0.0000 0.3442 ( 4455 PWs) bands (ev): -42.9023 -42.9023 -42.8724 -42.8724 -19.5685 -19.5685 -19.4915 -19.4915 -18.9728 -18.9728 -18.8708 -18.8708 -18.8117 -18.8117 -18.7799 -18.7799 7.6033 7.6033 9.1777 9.1777 10.5549 10.5549 10.7330 10.7330 10.9684 10.9684 11.5489 11.5489 11.6854 11.6854 12.0469 12.0469 12.1204 12.1204 12.2738 12.2738 12.4241 12.4241 12.5816 12.5816 13.4912 13.4912 14.3557 14.3557 14.3750 14.3750 14.5499 14.5499 14.7405 14.7405 15.7253 15.7253 k = 0.0000 0.0000 0.3570 ( 4462 PWs) bands (ev): -42.9020 -42.9020 -42.8727 -42.8727 -19.5673 -19.5673 -19.4927 -19.4927 -18.9711 -18.9711 -18.8726 -18.8726 -18.8116 -18.8116 -18.7803 -18.7803 7.6723 7.6723 9.1024 9.1024 10.5609 10.5609 10.7449 10.7449 10.9906 10.9906 11.5368 11.5368 11.6844 11.6844 12.0282 12.0282 12.1110 12.1110 12.2733 12.2733 12.4222 12.4222 12.5771 12.5771 13.4855 13.4855 14.3489 14.3489 14.3749 14.3749 14.5518 14.5518 14.7363 14.7363 15.6952 15.6952 k = 0.0000 0.0000 0.3697 ( 4468 PWs) bands (ev): -42.9018 -42.9018 -42.8729 -42.8729 -19.5663 -19.5663 -19.4938 -19.4938 -18.9695 -18.9695 -18.8742 -18.8742 -18.8114 -18.8114 -18.7806 -18.7806 7.7402 7.7402 9.0285 9.0285 10.5659 10.5659 10.7561 10.7561 11.0114 11.0114 11.5264 11.5264 11.6835 11.6835 12.0082 12.0082 12.1052 12.1052 12.2729 12.2729 12.4203 12.4203 12.5734 12.5734 13.4803 13.4803 14.3423 14.3423 14.3756 14.3756 14.5534 14.5534 14.7328 14.7328 15.6688 15.6688 k = 0.0000 0.0000 0.3825 ( 4475 PWs) bands (ev): -42.9016 -42.9016 -42.8731 -42.8731 -19.5654 -19.5654 -19.4947 -19.4947 -18.9681 -18.9681 -18.8757 -18.8757 -18.8113 -18.8113 -18.7809 -18.7809 7.8058 7.8058 8.9576 8.9576 10.5699 10.5699 10.7661 10.7661 11.0302 11.0302 11.5176 11.5176 11.6826 11.6826 11.9889 11.9889 12.1014 12.1014 12.2725 12.2725 12.4186 12.4186 12.5703 12.5703 13.4759 13.4759 14.3365 14.3365 14.3764 14.3764 14.5548 14.5548 14.7301 14.7301 15.6462 15.6462 k = 0.0000 0.0000 0.3952 ( 4471 PWs) bands (ev): -42.9014 -42.9014 -42.8733 -42.8733 -19.5646 -19.5646 -19.4955 -19.4955 -18.9670 -18.9670 -18.8769 -18.8769 -18.8112 -18.8112 -18.7812 -18.7812 7.8672 7.8672 8.8916 8.8916 10.5731 10.5731 10.7747 10.7747 11.0465 11.0465 11.5104 11.5104 11.6817 11.6817 11.9717 11.9717 12.0988 12.0988 12.2722 12.2722 12.4171 12.4171 12.5678 12.5678 13.4723 13.4723 14.3316 14.3316 14.3773 14.3773 14.5559 14.5559 14.7279 14.7279 15.6277 15.6277 k = 0.0000 0.0000 0.4080 ( 4469 PWs) bands (ev): -42.9012 -42.9012 -42.8735 -42.8735 -19.5639 -19.5639 -19.4962 -19.4962 -18.9660 -18.9660 -18.8779 -18.8779 -18.8111 -18.8111 -18.7813 -18.7813 7.9218 7.9218 8.8332 8.8332 10.5755 10.5755 10.7816 10.7816 11.0599 11.0599 11.5048 11.5048 11.6809 11.6809 11.9575 11.9575 12.0970 12.0970 12.2719 12.2719 12.4159 12.4159 12.5659 12.5659 13.4694 13.4694 14.3277 14.3277 14.3781 14.3781 14.5567 14.5567 14.7263 14.7263 15.6132 15.6132 k = 0.0000 0.0000 0.4207 ( 4466 PWs) bands (ev): -42.9011 -42.9011 -42.8736 -42.8736 -19.5635 -19.5635 -19.4967 -19.4967 -18.9653 -18.9653 -18.8787 -18.8787 -18.8111 -18.8111 -18.7815 -18.7815 7.9660 7.9660 8.7863 8.7863 10.5771 10.5771 10.7867 10.7867 11.0699 11.0699 11.5009 11.5009 11.6803 11.6803 11.9469 11.9469 12.0958 12.0958 12.2718 12.2718 12.4150 12.4150 12.5646 12.5646 13.4673 13.4673 14.3249 14.3249 14.3787 14.3787 14.5573 14.5573 14.7252 14.7252 15.6028 15.6028 k = 0.0000 0.0000 0.4335 ( 4468 PWs) bands (ev): -42.9010 -42.9010 -42.8736 -42.8736 -19.5632 -19.5632 -19.4970 -19.4970 -18.9649 -18.9649 -18.8791 -18.8791 -18.8110 -18.8110 -18.7816 -18.7816 7.9953 7.9953 8.7553 8.7553 10.5781 10.5781 10.7898 10.7898 11.0760 11.0760 11.4985 11.4985 11.6798 11.6798 11.9404 11.9404 12.0951 12.0951 12.2717 12.2717 12.4144 12.4144 12.5638 12.5638 13.4660 13.4660 14.3232 14.3232 14.3791 14.3791 14.5577 14.5577 14.7245 14.7245 15.5965 15.5965 k = 0.0000 0.0000 0.4462 ( 4460 PWs) bands (ev): -42.9010 -42.9010 -42.8737 -42.8737 -19.5631 -19.5631 -19.4971 -19.4971 -18.9648 -18.9648 -18.8793 -18.8793 -18.8110 -18.8110 -18.7816 -18.7816 8.0057 8.0057 8.7443 8.7443 10.5784 10.5784 10.7908 10.7908 11.0781 11.0781 11.4977 11.4977 11.6797 11.6797 11.9382 11.9382 12.0949 12.0949 12.2716 12.2716 12.4142 12.4142 12.5636 12.5636 13.4656 13.4656 14.3227 14.3227 14.3792 14.3792 14.5578 14.5578 14.7243 14.7243 15.5944 15.5944 k = 0.0000 0.0000 0.4462 ( 4460 PWs) bands (ev): -42.9010 -42.9010 -42.8737 -42.8737 -19.5631 -19.5631 -19.4971 -19.4971 -18.9648 -18.9648 -18.8793 -18.8793 -18.8110 -18.8110 -18.7816 -18.7816 8.0057 8.0057 8.7443 8.7443 10.5784 10.5784 10.7908 10.7908 11.0781 11.0781 11.4977 11.4977 11.6797 11.6797 11.9382 11.9382 12.0949 12.0949 12.2716 12.2716 12.4142 12.4142 12.5636 12.5636 13.4656 13.4656 14.3227 14.3227 14.3792 14.3792 14.5578 14.5578 14.7243 14.7243 15.5944 15.5944 k = 0.0000 0.0130 0.4462 ( 4465 PWs) bands (ev): -42.9010 -42.9010 -42.8736 -42.8736 -19.5631 -19.5631 -19.4971 -19.4971 -18.9647 -18.9647 -18.8792 -18.8792 -18.8112 -18.8112 -18.7818 -18.7818 8.0071 8.0071 8.7459 8.7459 10.5792 10.5792 10.7915 10.7915 11.0781 11.0781 11.4975 11.4975 11.6795 11.6795 11.9375 11.9375 12.0926 12.0926 12.2718 12.2718 12.4142 12.4142 12.5636 12.5636 13.4681 13.4681 14.3210 14.3210 14.3796 14.3796 14.5592 14.5592 14.7252 14.7252 15.5946 15.5946 k = 0.0000 0.0259 0.4462 ( 4464 PWs) bands (ev): -42.9009 -42.9009 -42.8735 -42.8735 -19.5632 -19.5632 -19.4973 -19.4973 -18.9646 -18.9646 -18.8792 -18.8792 -18.8119 -18.8119 -18.7825 -18.7825 8.0114 8.0114 8.7505 8.7505 10.5816 10.5816 10.7936 10.7936 11.0782 11.0782 11.4970 11.4970 11.6791 11.6791 11.9354 11.9354 12.0857 12.0857 12.2724 12.2724 12.4141 12.4141 12.5638 12.5638 13.4757 13.4757 14.3160 14.3160 14.3809 14.3809 14.5632 14.5632 14.7279 14.7279 15.5954 15.5954 k = 0.0000 0.0389 0.4462 ( 4468 PWs) bands (ev): -42.9007 -42.9007 -42.8734 -42.8734 -19.5634 -19.5634 -19.4976 -19.4976 -18.9644 -18.9644 -18.8791 -18.8791 -18.8130 -18.8130 -18.7836 -18.7836 8.0185 8.0185 8.7581 8.7581 10.5855 10.5855 10.7970 10.7970 11.0783 11.0783 11.4962 11.4962 11.6784 11.6784 11.9320 11.9320 12.0747 12.0747 12.2733 12.2733 12.4138 12.4138 12.5641 12.5641 13.4881 13.4881 14.3077 14.3077 14.3830 14.3830 14.5700 14.5700 14.7324 14.7324 15.5966 15.5966 k = 0.0000 0.0518 0.4462 ( 4464 PWs) bands (ev): -42.9004 -42.9004 -42.8731 -42.8731 -19.5636 -19.5636 -19.4980 -19.4980 -18.9642 -18.9642 -18.8791 -18.8791 -18.8145 -18.8145 -18.7851 -18.7851 8.0285 8.0285 8.7688 8.7688 10.5909 10.5909 10.8017 10.8017 11.0785 11.0785 11.4951 11.4951 11.6774 11.6774 11.9272 11.9272 12.0597 12.0597 12.2745 12.2745 12.4134 12.4134 12.5645 12.5645 13.5051 13.5051 14.2962 14.2962 14.3862 14.3862 14.5794 14.5794 14.7383 14.7383 15.5982 15.5982 k = 0.0000 0.0648 0.4462 ( 4464 PWs) bands (ev): -42.9001 -42.9001 -42.8728 -42.8728 -19.5639 -19.5639 -19.4986 -19.4986 -18.9639 -18.9639 -18.8790 -18.8790 -18.8165 -18.8165 -18.7870 -18.7870 8.0412 8.0412 8.7825 8.7825 10.5978 10.5978 10.8076 10.8076 11.0787 11.0787 11.4939 11.4939 11.6761 11.6761 11.9211 11.9211 12.0414 12.0414 12.2759 12.2759 12.4127 12.4127 12.5648 12.5648 13.5264 13.5264 14.2819 14.2819 14.3905 14.3905 14.5914 14.5914 14.7456 14.7456 15.6004 15.6004 k = 0.0000 0.0778 0.4462 ( 4465 PWs) bands (ev): -42.8997 -42.8997 -42.8725 -42.8725 -19.5643 -19.5643 -19.4992 -19.4992 -18.9635 -18.9635 -18.8788 -18.8788 -18.8188 -18.8188 -18.7894 -18.7894 8.0567 8.0567 8.7992 8.7992 10.6062 10.6062 10.8146 10.8146 11.0789 11.0789 11.4925 11.4925 11.6746 11.6746 11.9136 11.9136 12.0203 12.0203 12.2775 12.2775 12.4116 12.4116 12.5649 12.5649 13.5518 13.5518 14.2648 14.2648 14.3958 14.3958 14.6058 14.6058 14.7540 14.7540 15.6030 15.6030 k = 0.0000 0.0907 0.4462 ( 4464 PWs) bands (ev): -42.8993 -42.8993 -42.8720 -42.8720 -19.5647 -19.5647 -19.5000 -19.5000 -18.9631 -18.9631 -18.8787 -18.8787 -18.8215 -18.8215 -18.7921 -18.7921 8.0750 8.0750 8.8188 8.8188 10.6161 10.6161 10.8227 10.8227 11.0792 11.0792 11.4911 11.4911 11.6729 11.6729 11.9045 11.9045 11.9972 11.9972 12.2792 12.2792 12.4102 12.4102 12.5649 12.5649 13.5808 13.5808 14.2453 14.2453 14.4023 14.4023 14.6227 14.6227 14.7634 14.7634 15.6060 15.6060 k = 0.0000 0.1037 0.4462 ( 4465 PWs) bands (ev): -42.8987 -42.8987 -42.8716 -42.8716 -19.5652 -19.5652 -19.5010 -19.5010 -18.9626 -18.9626 -18.8786 -18.8786 -18.8246 -18.8246 -18.7952 -18.7952 8.0961 8.0961 8.8413 8.8413 10.6273 10.6273 10.8316 10.8316 11.0794 11.0794 11.4898 11.4898 11.6709 11.6709 11.8935 11.8935 11.9727 11.9727 12.2809 12.2809 12.4084 12.4084 12.5647 12.5647 13.6130 13.6130 14.2235 14.2235 14.4099 14.4099 14.6420 14.6420 14.7735 14.7735 15.6096 15.6096 k = 0.0000 0.1167 0.4462 ( 4470 PWs) bands (ev): -42.8981 -42.8981 -42.8710 -42.8710 -19.5658 -19.5658 -19.5020 -19.5020 -18.9620 -18.9620 -18.8785 -18.8785 -18.8280 -18.8280 -18.7986 -18.7986 8.1198 8.1198 8.8667 8.8667 10.6398 10.6398 10.8414 10.8414 11.0796 11.0796 11.4888 11.4888 11.6689 11.6689 11.8802 11.8802 11.9481 11.9481 12.2826 12.2826 12.4062 12.4062 12.5642 12.5642 13.6481 13.6481 14.1997 14.1997 14.4186 14.4186 14.6634 14.6634 14.7844 14.7844 15.6135 15.6135 k = 0.0000 0.1296 0.4462 ( 4470 PWs) bands (ev): -42.8975 -42.8975 -42.8704 -42.8704 -19.5665 -19.5665 -19.5032 -19.5032 -18.9614 -18.9614 -18.8785 -18.8785 -18.8318 -18.8318 -18.8024 -18.8024 8.1462 8.1462 8.8949 8.8949 10.6535 10.6535 10.8517 10.8517 11.0798 11.0798 11.4881 11.4881 11.6666 11.6666 11.8637 11.8637 11.9245 11.9245 12.2841 12.2841 12.4036 12.4036 12.5634 12.5634 13.6857 13.6857 14.1740 14.1740 14.4286 14.4286 14.6871 14.6871 14.7958 14.7958 15.6180 15.6180 k = 0.0000 0.1426 0.4462 ( 4470 PWs) bands (ev): -42.8967 -42.8967 -42.8698 -42.8698 -19.5673 -19.5673 -19.5045 -19.5045 -18.9608 -18.9608 -18.8785 -18.8785 -18.8358 -18.8358 -18.8064 -18.8064 8.1752 8.1752 8.9259 8.9259 10.6684 10.6684 10.8624 10.8624 11.0800 11.0800 11.4879 11.4879 11.6643 11.6643 11.8431 11.8431 11.9035 11.9035 12.2855 12.2855 12.4005 12.4005 12.5624 12.5624 13.7254 13.7254 14.1467 14.1467 14.4396 14.4396 14.7127 14.7127 14.8077 14.8077 15.6229 15.6229 k = 0.0000 0.1555 0.4462 ( 4462 PWs) bands (ev): -42.8960 -42.8960 -42.8690 -42.8690 -19.5681 -19.5681 -19.5060 -19.5060 -18.9601 -18.9601 -18.8786 -18.8786 -18.8401 -18.8401 -18.8107 -18.8107 8.2068 8.2068 8.9594 8.9594 10.6844 10.6844 10.8733 10.8733 11.0801 11.0801 11.4882 11.4882 11.6620 11.6620 11.8186 11.8186 11.8852 11.8852 12.2867 12.2867 12.3971 12.3971 12.5611 12.5611 13.7668 13.7668 14.1178 14.1178 14.4518 14.4518 14.7401 14.7401 14.8202 14.8202 15.6282 15.6282 k = 0.0000 0.1685 0.4462 ( 4468 PWs) bands (ev): -42.8951 -42.8951 -42.8683 -42.8683 -19.5690 -19.5690 -19.5075 -19.5075 -18.9594 -18.9594 -18.8788 -18.8788 -18.8445 -18.8445 -18.8152 -18.8152 8.2408 8.2408 8.9956 8.9956 10.7013 10.7013 10.8842 10.8842 11.0801 11.0801 11.4891 11.4891 11.6596 11.6596 11.7914 11.7914 11.8691 11.8691 12.2875 12.2875 12.3932 12.3932 12.5596 12.5596 13.8097 13.8097 14.0875 14.0875 14.4651 14.4651 14.7690 14.7690 14.8337 14.8337 15.6340 15.6340 k = 0.0000 0.1815 0.4462 ( 4465 PWs) bands (ev): -42.8942 -42.8942 -42.8675 -42.8675 -19.5700 -19.5700 -19.5093 -19.5093 -18.9587 -18.9587 -18.8793 -18.8793 -18.8491 -18.8491 -18.8198 -18.8198 8.2773 8.2773 9.0343 9.0343 10.7191 10.7191 10.8950 10.8950 11.0801 11.0801 11.4905 11.4905 11.6572 11.6572 11.7631 11.7631 11.8541 11.8541 12.2880 12.2880 12.3891 12.3891 12.5578 12.5578 13.8537 13.8537 14.0560 14.0560 14.4794 14.4794 14.7982 14.7982 14.8487 14.8487 15.6402 15.6402 k = 0.0000 0.1944 0.4462 ( 4467 PWs) bands (ev): -42.8933 -42.8933 -42.8666 -42.8666 -19.5712 -19.5712 -19.5112 -19.5112 -18.9580 -18.9580 -18.8800 -18.8800 -18.8537 -18.8537 -18.8245 -18.8245 8.3162 8.3162 9.0753 9.0753 10.7376 10.7376 10.9054 10.9054 11.0798 11.0798 11.4921 11.4921 11.6547 11.6547 11.7351 11.7351 11.8397 11.8397 12.2880 12.2880 12.3846 12.3846 12.5559 12.5559 13.8984 13.8984 14.0233 14.0233 14.4948 14.4948 14.8259 14.8259 14.8674 14.8674 15.6468 15.6468 k = 0.0000 0.2074 0.4462 ( 4468 PWs) bands (ev): -42.8923 -42.8923 -42.8657 -42.8657 -19.5724 -19.5724 -19.5132 -19.5132 -18.9573 -18.9573 -18.8812 -18.8812 -18.8583 -18.8583 -18.8292 -18.8292 8.3573 8.3573 9.1187 9.1187 10.7566 10.7566 10.9154 10.9154 11.0795 11.0795 11.4934 11.4934 11.6519 11.6519 11.7090 11.7090 11.8257 11.8257 12.2877 12.2877 12.3798 12.3798 12.5538 12.5538 13.9435 13.9435 13.9898 13.9898 14.5110 14.5110 14.8485 14.8485 14.8928 14.8928 15.6540 15.6540 k = 0.0000 0.2203 0.4462 ( 4460 PWs) bands (ev): -42.8913 -42.8913 -42.8648 -42.8648 -19.5737 -19.5737 -19.5153 -19.5153 -18.9566 -18.9566 -18.8830 -18.8830 -18.8627 -18.8627 -18.8337 -18.8337 8.4007 8.4007 9.1643 9.1643 10.7760 10.7760 10.9249 10.9249 11.0789 11.0789 11.4932 11.4932 11.6479 11.6479 11.6875 11.6875 11.8117 11.8117 12.2869 12.2869 12.3749 12.3749 12.5516 12.5516 13.9549 13.9549 13.9893 13.9893 14.5281 14.5281 14.8658 14.8658 14.9252 14.9252 15.6616 15.6616 k = 0.0000 0.2333 0.4462 ( 4457 PWs) bands (ev): -42.8902 -42.8902 -42.8638 -42.8638 -19.5751 -19.5751 -19.5176 -19.5176 -18.9560 -18.9560 -18.8854 -18.8854 -18.8670 -18.8670 -18.8379 -18.8379 8.4462 8.4462 9.2119 9.2119 10.7954 10.7954 10.9338 10.9338 11.0782 11.0782 11.4900 11.4900 11.6407 11.6407 11.6743 11.6743 11.7979 11.7979 12.2855 12.2855 12.3699 12.3699 12.5492 12.5492 13.9197 13.9197 14.0343 14.0343 14.5460 14.5460 14.8802 14.8802 14.9620 14.9620 15.6697 15.6697 k = 0.0000 0.2463 0.4462 ( 4457 PWs) bands (ev): -42.8891 -42.8891 -42.8628 -42.8628 -19.5766 -19.5766 -19.5201 -19.5201 -18.9555 -18.9555 -18.8886 -18.8886 -18.8711 -18.8711 -18.8417 -18.8417 8.4937 8.4937 9.2614 9.2614 10.8146 10.8146 10.9425 10.9425 11.0772 11.0772 11.4817 11.4817 11.6315 11.6315 11.6705 11.6705 11.7842 11.7842 12.2837 12.2837 12.3647 12.3647 12.5469 12.5469 13.8838 13.8838 14.0790 14.0790 14.5645 14.5645 14.8932 14.8932 15.0012 15.0012 15.6785 15.6785 k = 0.0000 0.2592 0.4462 ( 4458 PWs) bands (ev): -42.8879 -42.8879 -42.8617 -42.8617 -19.5782 -19.5782 -19.5227 -19.5227 -18.9551 -18.9551 -18.8924 -18.8924 -18.8752 -18.8752 -18.8448 -18.8448 8.5431 8.5431 9.3127 9.3127 10.8330 10.8330 10.9511 10.9511 11.0760 11.0760 11.4675 11.4675 11.6243 11.6243 11.6733 11.6733 11.7709 11.7709 12.2813 12.2813 12.3596 12.3596 12.5445 12.5445 13.8475 13.8475 14.1228 14.1228 14.5835 14.5835 14.9054 14.9054 15.0422 15.0422 15.6880 15.6880 k = 0.0000 0.2722 0.4462 ( 4459 PWs) bands (ev): -42.8867 -42.8867 -42.8606 -42.8606 -19.5800 -19.5800 -19.5254 -19.5254 -18.9549 -18.9549 -18.8966 -18.8966 -18.8796 -18.8796 -18.8473 -18.8473 8.5944 8.5944 9.3656 9.3656 10.8501 10.8501 10.9603 10.9603 11.0746 11.0746 11.4479 11.4479 11.6201 11.6201 11.6808 11.6808 11.7581 11.7581 12.2785 12.2785 12.3546 12.3546 12.5421 12.5421 13.8107 13.8107 14.1653 14.1653 14.6029 14.6029 14.9170 14.9170 15.0843 15.0843 15.6984 15.6984 k = 0.0000 0.2852 0.4462 ( 4465 PWs) bands (ev): -42.8855 -42.8855 -42.8595 -42.8595 -19.5818 -19.5818 -19.5283 -19.5283 -18.9549 -18.9549 -18.9010 -18.9010 -18.8843 -18.8843 -18.8490 -18.8490 8.6473 8.6473 9.4200 9.4200 10.8651 10.8651 10.9705 10.9705 11.0730 11.0730 11.4245 11.4245 11.6178 11.6178 11.6917 11.6917 11.7469 11.7469 12.2752 12.2752 12.3498 12.3498 12.5397 12.5397 13.7738 13.7738 14.2062 14.2062 14.6225 14.6225 14.9281 14.9281 15.1271 15.1271 15.7100 15.7100 k = 0.0000 0.2981 0.4462 ( 4460 PWs) bands (ev): -42.8843 -42.8843 -42.8584 -42.8584 -19.5837 -19.5837 -19.5313 -19.5313 -18.9553 -18.9553 -18.9054 -18.9054 -18.8892 -18.8892 -18.8502 -18.8502 8.7018 8.7018 9.4757 9.4757 10.8774 10.8774 10.9824 10.9824 11.0713 11.0713 11.3989 11.3989 11.6162 11.6162 11.7020 11.7020 11.7410 11.7410 12.2716 12.2716 12.3452 12.3452 12.5374 12.5374 13.7367 13.7367 14.2451 14.2451 14.6419 14.6419 14.9385 14.9385 15.1701 15.1701 15.7229 15.7229 k = 0.0000 0.3111 0.4462 ( 4461 PWs) bands (ev): -42.8831 -42.8831 -42.8573 -42.8573 -19.5858 -19.5858 -19.5345 -19.5345 -18.9560 -18.9560 -18.9096 -18.9096 -18.8943 -18.8943 -18.8509 -18.8509 8.7577 8.7577 9.5325 9.5325 10.8866 10.8866 10.9959 10.9959 11.0697 11.0697 11.3722 11.3722 11.6144 11.6144 11.7027 11.7027 11.7490 11.7490 12.2677 12.2677 12.3409 12.3409 12.5353 12.5353 13.6996 13.6996 14.2815 14.2815 14.6609 14.6609 14.9483 14.9483 15.2127 15.2127 15.7374 15.7374 k = 0.0000 0.3240 0.4462 ( 4465 PWs) bands (ev): -42.8818 -42.8818 -42.8561 -42.8561 -19.5879 -19.5879 -19.5377 -19.5377 -18.9574 -18.9574 -18.9136 -18.9136 -18.8995 -18.8995 -18.8512 -18.8512 8.8149 8.8149 9.5901 9.5901 10.8928 10.8928 11.0106 11.0106 11.0687 11.0687 11.3455 11.3455 11.6123 11.6123 11.6948 11.6948 11.7693 11.7693 12.2636 12.2636 12.3370 12.3370 12.5333 12.5333 13.6627 13.6627 14.3151 14.3151 14.6791 14.6791 14.9573 14.9573 15.2544 15.2544 15.7510 15.7510 k = 0.0000 0.3370 0.4462 ( 4465 PWs) bands (ev): -42.8805 -42.8805 -42.8550 -42.8550 -19.5902 -19.5902 -19.5411 -19.5411 -18.9593 -18.9593 -18.9173 -18.9173 -18.9045 -18.9045 -18.8512 -18.8512 8.8731 8.8731 9.6484 9.6484 10.8964 10.8964 11.0247 11.0247 11.0695 11.0695 11.3193 11.3193 11.6095 11.6095 11.6847 11.6847 11.7952 11.7952 12.2594 12.2594 12.3337 12.3337 12.5315 12.5315 13.6261 13.6261 14.3456 14.3456 14.6959 14.6959 14.9655 14.9655 15.2944 15.2944 15.7357 15.7357 k = 0.0000 0.3500 0.4462 ( 4458 PWs) bands (ev): -42.8793 -42.8793 -42.8538 -42.8538 -19.5925 -19.5925 -19.5446 -19.5446 -18.9618 -18.9618 -18.9209 -18.9209 -18.9090 -18.9090 -18.8510 -18.8510 8.9323 8.9323 9.7072 9.7072 10.8980 10.8980 11.0348 11.0348 11.0746 11.0746 11.2945 11.2945 11.6058 11.6058 11.6748 11.6748 11.8240 11.8240 12.2553 12.2553 12.3310 12.3310 12.5300 12.5300 13.5898 13.5898 14.3726 14.3726 14.7108 14.7108 14.9727 14.9727 15.3323 15.3323 15.7049 15.7049 k = 0.0000 0.3629 0.4462 ( 4461 PWs) bands (ev): -42.8780 -42.8780 -42.8526 -42.8526 -19.5950 -19.5950 -19.5482 -19.5482 -18.9649 -18.9649 -18.9248 -18.9248 -18.9127 -18.9127 -18.8506 -18.8506 8.9923 8.9923 9.7661 9.7661 10.8980 10.8980 11.0387 11.0387 11.0851 11.0851 11.2718 11.2718 11.6010 11.6010 11.6659 11.6659 11.8547 11.8547 12.2514 12.2514 12.3292 12.3292 12.5288 12.5288 13.5541 13.5541 14.3958 14.3958 14.7231 14.7231 14.9788 14.9788 15.3674 15.3674 15.6752 15.6752 k = 0.0000 0.3759 0.4462 ( 4458 PWs) bands (ev): -42.8767 -42.8767 -42.8514 -42.8514 -19.5975 -19.5975 -19.5519 -19.5519 -18.9685 -18.9685 -18.9292 -18.9292 -18.9152 -18.9152 -18.8501 -18.8501 9.0527 9.0527 9.8249 9.8249 10.8969 10.8969 11.0381 11.0381 11.0977 11.0977 11.2528 11.2528 11.5948 11.5948 11.6584 11.6584 11.8868 11.8868 12.2476 12.2476 12.3286 12.3286 12.5280 12.5280 13.5190 13.5190 14.4150 14.4150 14.7322 14.7322 14.9837 14.9837 15.3997 15.3997 15.6477 15.6477 k = 0.0000 0.3888 0.4462 ( 4456 PWs) bands (ev): -42.8754 -42.8754 -42.8503 -42.8503 -19.6001 -19.6001 -19.5557 -19.5557 -18.9725 -18.9725 -18.9341 -18.9341 -18.9166 -18.9166 -18.8496 -18.8496 9.1136 9.1136 9.8833 9.8833 10.8950 10.8950 11.0354 11.0354 11.1078 11.1078 11.2398 11.2398 11.5872 11.5872 11.6525 11.6525 11.9196 11.9196 12.2441 12.2441 12.3295 12.3295 12.5277 12.5277 13.4846 13.4846 14.4299 14.4299 14.7372 14.7372 14.9873 14.9873 15.4291 15.4291 15.6227 15.6227 k = 0.0000 0.4018 0.4462 ( 4456 PWs) bands (ev): -42.8742 -42.8742 -42.8491 -42.8491 -19.6027 -19.6027 -19.5596 -19.5596 -18.9768 -18.9768 -18.9392 -18.9392 -18.9174 -18.9174 -18.8489 -18.8489 9.1745 9.1745 9.9411 9.9411 10.8924 10.8924 11.0315 11.0315 11.1115 11.1115 11.2356 11.2356 11.5783 11.5783 11.6482 11.6482 11.9526 11.9526 12.2407 12.2407 12.3324 12.3324 12.5281 12.5281 13.4511 13.4511 14.4403 14.4403 14.7378 14.7378 14.9895 14.9895 15.4560 15.4560 15.6003 15.6003 k = 0.0000 0.4148 0.4462 ( 4455 PWs) bands (ev): -42.8729 -42.8729 -42.8480 -42.8480 -19.6054 -19.6054 -19.5635 -19.5635 -18.9812 -18.9812 -18.9443 -18.9443 -18.9177 -18.9177 -18.8482 -18.8482 9.2354 9.2354 9.9979 9.9979 10.8892 10.8892 11.0269 11.0269 11.1073 11.1073 11.2412 11.2412 11.5685 11.5685 11.6452 11.6452 11.9853 11.9853 12.2375 12.2375 12.3377 12.3377 12.5294 12.5294 13.4185 13.4185 14.4461 14.4461 14.7333 14.7333 14.9903 14.9903 15.4808 15.4808 15.5807 15.5807 k = 0.0000 0.4277 0.4462 ( 4455 PWs) bands (ev): -42.8717 -42.8717 -42.8469 -42.8469 -19.6081 -19.6081 -19.5674 -19.5674 -18.9856 -18.9856 -18.9495 -18.9495 -18.9176 -18.9176 -18.8475 -18.8475 9.2959 9.2959 10.0535 10.0535 10.8856 10.8856 11.0217 11.0217 11.0974 11.0974 11.2546 11.2546 11.5581 11.5581 11.6431 11.6431 12.0172 12.0172 12.2343 12.2343 12.3460 12.3460 12.5318 12.5318 13.3869 13.3869 14.4471 14.4471 14.7235 14.7235 14.9897 14.9897 15.5037 15.5037 15.5641 15.5641 k = 0.0000 0.4407 0.4462 ( 4453 PWs) bands (ev): -42.8705 -42.8705 -42.8458 -42.8458 -19.6109 -19.6109 -19.5713 -19.5713 -18.9901 -18.9901 -18.9545 -18.9545 -18.9173 -18.9173 -18.8467 -18.8467 9.3557 9.3557 10.1075 10.1075 10.8815 10.8815 11.0161 11.0161 11.0848 11.0848 11.2726 11.2726 11.5474 11.5474 11.6417 11.6417 12.0477 12.0477 12.2311 12.2311 12.3574 12.3574 12.5359 12.5359 13.3565 13.3565 14.4430 14.4430 14.7085 14.7085 14.9876 14.9876 15.5238 15.5238 15.5517 15.5517 k = 0.0000 0.4536 0.4462 ( 4455 PWs) bands (ev): -42.8694 -42.8694 -42.8447 -42.8447 -19.6137 -19.6137 -19.5753 -19.5753 -18.9945 -18.9945 -18.9594 -18.9594 -18.9168 -18.9168 -18.8459 -18.8459 9.4148 9.4148 10.1596 10.1596 10.8769 10.8769 11.0100 11.0100 11.0717 11.0717 11.2930 11.2930 11.5367 11.5367 11.6409 11.6409 12.0767 12.0767 12.2278 12.2278 12.3717 12.3717 12.5424 12.5424 13.3272 13.3272 14.4336 14.4336 14.6885 14.6885 14.9842 14.9842 15.5299 15.5299 15.5547 15.5547 k = 0.0000 0.4666 0.4462 ( 4459 PWs) bands (ev): -42.8682 -42.8682 -42.8436 -42.8436 -19.6165 -19.6165 -19.5792 -19.5792 -18.9988 -18.9988 -18.9641 -18.9641 -18.9163 -18.9163 -18.8451 -18.8451 9.4727 9.4727 10.2095 10.2095 10.8717 10.8717 11.0036 11.0036 11.0594 11.0594 11.3146 11.3146 11.5261 11.5261 11.6404 11.6404 12.1037 12.1037 12.2247 12.2247 12.3882 12.3882 12.5524 12.5524 13.2993 13.2993 14.4186 14.4186 14.6638 14.6638 14.9797 14.9797 15.5225 15.5225 15.5728 15.5728 k = 0.0000 0.4796 0.4462 ( 4464 PWs) bands (ev): -42.8671 -42.8671 -42.8426 -42.8426 -19.6193 -19.6193 -19.5831 -19.5831 -19.0029 -19.0029 -18.9686 -18.9686 -18.9156 -18.9156 -18.8443 -18.8443 9.5292 9.5292 10.2571 10.2571 10.8657 10.8657 10.9972 10.9972 11.0483 11.0483 11.3368 11.3368 11.5158 11.5158 11.6402 11.6402 12.1286 12.1286 12.2221 12.2221 12.4052 12.4052 12.5674 12.5674 13.2727 13.2727 14.3979 14.3979 14.6351 14.6351 14.9741 14.9741 15.5147 15.5147 15.5925 15.5925 k = 0.0000 0.4925 0.4462 ( 4461 PWs) bands (ev): -42.8661 -42.8661 -42.8416 -42.8416 -19.6220 -19.6220 -19.5869 -19.5869 -19.0069 -19.0069 -18.9728 -18.9728 -18.9150 -18.9150 -18.8434 -18.8434 9.5840 9.5840 10.3019 10.3019 10.8590 10.8590 10.9910 10.9910 11.0387 11.0387 11.3590 11.3590 11.5059 11.5059 11.6401 11.6401 12.1511 12.1511 12.2209 12.2209 12.4210 12.4210 12.5889 12.5889 13.2476 13.2476 14.3712 14.3712 14.6029 14.6029 14.9676 14.9676 15.5080 15.5080 15.6119 15.6119 k = 0.0000 0.5055 0.4462 ( 4463 PWs) bands (ev): -42.8651 -42.8651 -42.8407 -42.8407 -19.6247 -19.6247 -19.5906 -19.5906 -19.0107 -19.0107 -18.9769 -18.9769 -18.9143 -18.9143 -18.8426 -18.8426 9.6369 9.6369 10.3439 10.3439 10.8515 10.8515 10.9853 10.9853 11.0305 11.0305 11.3808 11.3808 11.4968 11.4968 11.6402 11.6402 12.1694 12.1694 12.2233 12.2233 12.4342 12.4342 12.6179 12.6179 13.2240 13.2240 14.3385 14.3385 14.5679 14.5679 14.9605 14.9605 15.5024 15.5024 15.6308 15.6308 k = 0.0000 0.5185 0.4462 ( 4463 PWs) bands (ev): -42.8641 -42.8641 -42.8398 -42.8398 -19.6274 -19.6274 -19.5942 -19.5942 -19.0144 -19.0144 -18.9807 -18.9807 -18.9137 -18.9137 -18.8418 -18.8418 9.6877 9.6877 10.3828 10.3828 10.8432 10.8432 10.9805 10.9805 11.0234 11.0234 11.4016 11.4016 11.4888 11.4888 11.6404 11.6404 12.1803 12.1803 12.2332 12.2332 12.4443 12.4443 12.6543 12.6543 13.2019 13.2019 14.3000 14.3000 14.5306 14.5306 14.9530 14.9530 15.4976 15.4976 15.6491 15.6491 k = 0.0000 0.5314 0.4462 ( 4462 PWs) bands (ev): -42.8632 -42.8632 -42.8389 -42.8389 -19.6299 -19.6299 -19.5977 -19.5977 -19.0178 -19.0178 -18.9842 -18.9842 -18.9130 -18.9130 -18.8410 -18.8410 9.7360 9.7360 10.4186 10.4186 10.8343 10.8343 10.9765 10.9765 11.0174 11.0174 11.4205 11.4205 11.4827 11.4827 11.6406 11.6406 12.1835 12.1835 12.2515 12.2515 12.4518 12.4518 12.6971 12.6971 13.1814 13.1814 14.2560 14.2560 14.4912 14.4912 14.9453 14.9453 15.4935 15.4935 15.6666 15.6666 k = 0.0000 0.5444 0.4462 ( 4461 PWs) bands (ev): -42.8623 -42.8623 -42.8381 -42.8381 -19.6324 -19.6324 -19.6011 -19.6011 -19.0210 -19.0210 -18.9875 -18.9875 -18.9124 -18.9124 -18.8402 -18.8402 9.7816 9.7816 10.4512 10.4512 10.8251 10.8251 10.9733 10.9733 11.0122 11.0122 11.4350 11.4350 11.4808 11.4808 11.6409 11.6409 12.1825 12.1825 12.2749 12.2749 12.4572 12.4572 12.7451 12.7451 13.1626 13.1626 14.2071 14.2071 14.4500 14.4500 14.9375 14.9375 15.4897 15.4897 15.6835 15.6835 k = 0.0000 0.5573 0.4462 ( 4460 PWs) bands (ev): -42.8615 -42.8615 -42.8373 -42.8373 -19.6348 -19.6348 -19.6043 -19.6043 -19.0239 -19.0239 -18.9905 -18.9905 -18.9119 -18.9119 -18.8394 -18.8394 9.8244 9.8244 10.4806 10.4806 10.8159 10.8159 10.9707 10.9707 11.0076 11.0076 11.4415 11.4415 11.4868 11.4868 11.6413 11.6413 12.1799 12.1799 12.3010 12.3010 12.4613 12.4613 12.7972 12.7972 13.1454 13.1454 14.1541 14.1541 14.4070 14.4070 14.9298 14.9298 15.4859 15.4859 15.6997 15.6997 k = 0.0000 0.5703 0.4462 ( 4461 PWs) bands (ev): -42.8608 -42.8608 -42.8366 -42.8366 -19.6370 -19.6370 -19.6073 -19.6073 -19.0267 -19.0267 -18.9933 -18.9933 -18.9114 -18.9114 -18.8387 -18.8387 9.8640 9.8640 10.5069 10.5069 10.8069 10.8069 10.9684 10.9684 11.0037 11.0037 11.4407 11.4407 11.4998 11.4998 11.6417 11.6417 12.1766 12.1766 12.3290 12.3290 12.4646 12.4646 12.8525 12.8525 13.1299 13.1299 14.0980 14.0980 14.3623 14.3623 14.9223 14.9223 15.4820 15.4820 15.7152 15.7152 k = 0.0000 0.5833 0.4462 ( 4463 PWs) bands (ev): -42.8601 -42.8601 -42.8359 -42.8359 -19.6391 -19.6391 -19.6100 -19.6100 -19.0292 -19.0292 -18.9958 -18.9958 -18.9109 -18.9109 -18.8380 -18.8380 9.9002 9.9002 10.5300 10.5300 10.7984 10.7984 10.9663 10.9663 11.0003 11.0003 11.4370 11.4370 11.5152 11.5152 11.6422 11.6422 12.1732 12.1732 12.3579 12.3579 12.4678 12.4678 12.9102 12.9102 13.1163 13.1163 14.0397 14.0397 14.3158 14.3158 14.9153 14.9153 15.4777 15.4777 15.7300 15.7300 k = 0.0000 0.5962 0.4462 ( 4465 PWs) bands (ev): -42.8595 -42.8595 -42.8353 -42.8353 -19.6411 -19.6411 -19.6126 -19.6126 -19.0315 -19.0315 -18.9980 -18.9980 -18.9106 -18.9106 -18.8373 -18.8373 9.9329 9.9329 10.5502 10.5502 10.7909 10.7909 10.9640 10.9640 10.9973 10.9973 11.4327 11.4327 11.5307 11.5307 11.6427 11.6427 12.1698 12.1698 12.3867 12.3867 12.4715 12.4715 12.9695 12.9695 13.1044 13.1044 13.9803 13.9803 14.2678 14.2678 14.9087 14.9087 15.4729 15.4729 15.7442 15.7442 k = 0.0000 0.6092 0.4462 ( 4461 PWs) bands (ev): -42.8589 -42.8589 -42.8347 -42.8347 -19.6429 -19.6429 -19.6149 -19.6149 -19.0335 -19.0335 -19.0000 -19.0000 -18.9103 -18.9103 -18.8366 -18.8366 9.9618 9.9618 10.5675 10.5675 10.7847 10.7847 10.9616 10.9616 10.9946 10.9946 11.4284 11.4284 11.5454 11.5454 11.6434 11.6434 12.1667 12.1667 12.4132 12.4132 12.4777 12.4777 13.0292 13.0292 13.0949 13.0949 13.9209 13.9209 14.2185 14.2185 14.9027 14.9027 15.4674 15.4674 15.7578 15.7578 k = 0.0000 0.6221 0.4462 ( 4455 PWs) bands (ev): -42.8584 -42.8584 -42.8342 -42.8342 -19.6445 -19.6445 -19.6169 -19.6169 -19.0354 -19.0354 -19.0017 -19.0017 -18.9100 -18.9100 -18.8359 -18.8359 9.9866 9.9866 10.5819 10.5819 10.7800 10.7800 10.9589 10.9589 10.9919 10.9919 11.4247 11.4247 11.5587 11.5587 11.6443 11.6443 12.1638 12.1638 12.4333 12.4333 12.4899 12.4899 13.0779 13.0779 13.0980 13.0980 13.8628 13.8628 14.1683 14.1683 14.8974 14.8974 15.4611 15.4611 15.7709 15.7709 k = 0.0000 0.6351 0.4462 ( 4451 PWs) bands (ev): -42.8580 -42.8580 -42.8338 -42.8338 -19.6459 -19.6459 -19.6187 -19.6187 -19.0369 -19.0369 -19.0031 -19.0031 -18.9099 -18.9099 -18.8353 -18.8353 10.0072 10.0072 10.5936 10.5936 10.7771 10.7771 10.9560 10.9560 10.9893 10.9893 11.4216 11.4216 11.5706 11.5706 11.6455 11.6455 12.1612 12.1612 12.4440 12.4440 12.5101 12.5101 13.0768 13.0768 13.1515 13.1515 13.8073 13.8073 14.1177 14.1177 14.8929 14.8929 15.4539 15.4539 15.7835 15.7835 k = 0.0000 0.6481 0.4462 ( 4455 PWs) bands (ev): -42.8577 -42.8577 -42.8334 -42.8334 -19.6472 -19.6472 -19.6202 -19.6202 -19.0383 -19.0383 -19.0043 -19.0043 -18.9098 -18.9098 -18.8347 -18.8347 10.0232 10.0232 10.6027 10.6027 10.7763 10.7763 10.9528 10.9528 10.9866 10.9866 11.4192 11.4192 11.5807 11.5807 11.6468 11.6468 12.1591 12.1591 12.4483 12.4483 12.5348 12.5348 13.0723 13.0723 13.2075 13.2075 13.7562 13.7562 14.0677 14.0677 14.8891 14.8891 15.4458 15.4458 15.7956 15.7956 k = 0.0000 0.6610 0.4462 ( 4457 PWs) bands (ev): -42.8574 -42.8574 -42.8331 -42.8331 -19.6482 -19.6482 -19.6214 -19.6214 -19.0394 -19.0394 -19.0052 -19.0052 -18.9098 -18.9098 -18.8342 -18.8342 10.0343 10.0343 10.6096 10.6096 10.7776 10.7776 10.9496 10.9496 10.9838 10.9838 11.4176 11.4176 11.5890 11.5890 11.6485 11.6485 12.1574 12.1574 12.4494 12.4494 12.5595 12.5595 13.0692 13.0692 13.2587 13.2587 13.7116 13.7116 14.0196 14.0196 14.8862 14.8862 15.4368 15.4368 15.8073 15.8073 k = 0.0000 0.6610 0.4462 ( 4457 PWs) bands (ev): -42.8574 -42.8574 -42.8331 -42.8331 -19.6482 -19.6482 -19.6214 -19.6214 -19.0394 -19.0394 -19.0052 -19.0052 -18.9098 -18.9098 -18.8342 -18.8342 10.0343 10.0343 10.6096 10.6096 10.7776 10.7776 10.9496 10.9496 10.9838 10.9838 11.4176 11.4176 11.5890 11.5890 11.6485 11.6485 12.1574 12.1574 12.4494 12.4494 12.5595 12.5595 13.0692 13.0692 13.2587 13.2587 13.7116 13.7116 14.0196 14.0196 14.8862 14.8862 15.4368 15.4368 15.8073 15.8073 k = 0.0000 0.6663 0.4354 ( 4457 PWs) bands (ev): -42.8571 -42.8571 -42.8332 -42.8332 -19.6481 -19.6481 -19.6221 -19.6221 -19.0395 -19.0395 -19.0060 -19.0060 -18.9084 -18.9084 -18.8354 -18.8354 10.0367 10.0367 10.6002 10.6002 10.7819 10.7819 10.9458 10.9458 10.9768 10.9768 11.4192 11.4192 11.5968 11.5968 11.6420 11.6420 12.1564 12.1564 12.4488 12.4488 12.5734 12.5734 13.0809 13.0809 13.2797 13.2797 13.7060 13.7060 14.0042 14.0042 14.8884 14.8884 15.4417 15.4417 15.8040 15.8040 k = 0.0000 0.6716 0.4247 ( 4450 PWs) bands (ev): -42.8569 -42.8569 -42.8332 -42.8332 -19.6481 -19.6481 -19.6227 -19.6227 -19.0395 -19.0395 -19.0066 -19.0066 -18.9071 -18.9071 -18.8365 -18.8365 10.0383 10.0383 10.5915 10.5915 10.7866 10.7866 10.9424 10.9424 10.9701 10.9701 11.4207 11.4207 11.6032 11.6032 11.6367 11.6367 12.1555 12.1555 12.4466 12.4466 12.5887 12.5887 13.0915 13.0915 13.2979 13.2979 13.7034 13.7034 13.9880 13.9880 14.8899 14.8899 15.4469 15.4469 15.8013 15.8013 k = 0.0000 0.6769 0.4139 ( 4446 PWs) bands (ev): -42.8567 -42.8567 -42.8333 -42.8333 -19.6480 -19.6480 -19.6232 -19.6232 -19.0395 -19.0395 -19.0072 -19.0072 -18.9059 -18.9059 -18.8376 -18.8376 10.0392 10.0392 10.5835 10.5835 10.7914 10.7914 10.9396 10.9396 10.9639 10.9639 11.4221 11.4221 11.6078 11.6078 11.6329 11.6329 12.1547 12.1547 12.4437 12.4437 12.6041 12.6041 13.1009 13.1009 13.3128 13.3128 13.7042 13.7042 13.9712 13.9712 14.8907 14.8907 15.4521 15.4521 15.7990 15.7990 k = 0.0000 0.6822 0.4032 ( 4444 PWs) bands (ev): -42.8565 -42.8565 -42.8334 -42.8334 -19.6479 -19.6479 -19.6237 -19.6237 -19.0396 -19.0396 -19.0077 -19.0077 -18.9048 -18.9048 -18.8385 -18.8385 10.0397 10.0397 10.5765 10.5765 10.7961 10.7961 10.9373 10.9373 10.9581 10.9581 11.4233 11.4233 11.6103 11.6103 11.6312 11.6312 12.1540 12.1540 12.4406 12.4406 12.6184 12.6184 13.1090 13.1090 13.3245 13.3245 13.7081 13.7081 13.9542 13.9542 14.8912 14.8912 15.4571 15.4571 15.7972 15.7972 k = 0.0000 0.6875 0.3924 ( 4447 PWs) bands (ev): -42.8563 -42.8563 -42.8334 -42.8334 -19.6479 -19.6479 -19.6241 -19.6241 -19.0396 -19.0396 -19.0081 -19.0081 -18.9039 -18.9039 -18.8393 -18.8393 10.0399 10.0399 10.5707 10.5707 10.8002 10.8002 10.9356 10.9356 10.9530 10.9530 11.4243 11.4243 11.6106 11.6106 11.6315 11.6315 12.1535 12.1535 12.4379 12.4379 12.6311 12.6311 13.1157 13.1157 13.3331 13.3331 13.7147 13.7147 13.9375 13.9375 14.8913 14.8913 15.4616 15.4616 15.7958 15.7958 k = 0.0000 0.6929 0.3817 ( 4450 PWs) bands (ev): -42.8562 -42.8562 -42.8335 -42.8335 -19.6478 -19.6478 -19.6244 -19.6244 -19.0396 -19.0396 -19.0084 -19.0084 -18.9032 -18.9032 -18.8399 -18.8399 10.0399 10.0399 10.5660 10.5660 10.8037 10.8037 10.9346 10.9346 10.9485 10.9485 11.4251 11.4251 11.6098 11.6098 11.6328 11.6328 12.1530 12.1530 12.4356 12.4356 12.6416 12.6416 13.1210 13.1210 13.3391 13.3391 13.7228 13.7228 13.9220 13.9220 14.8912 14.8912 15.4653 15.4653 15.7948 15.7948 k = 0.0000 0.6982 0.3709 ( 4448 PWs) bands (ev): -42.8561 -42.8561 -42.8335 -42.8335 -19.6478 -19.6478 -19.6246 -19.6246 -19.0396 -19.0396 -19.0087 -19.0087 -18.9027 -18.9027 -18.8403 -18.8403 10.0398 10.0398 10.5627 10.5627 10.8064 10.8064 10.9342 10.9342 10.9449 10.9449 11.4258 11.4258 11.6087 11.6087 11.6342 11.6342 12.1527 12.1527 12.4339 12.4339 12.6494 12.6494 13.1248 13.1248 13.3428 13.3428 13.7310 13.7310 13.9089 13.9089 14.8911 14.8911 15.4682 15.4682 15.7941 15.7941 k = 0.0000 0.7035 0.3601 ( 4452 PWs) bands (ev): -42.8560 -42.8560 -42.8335 -42.8335 -19.6478 -19.6478 -19.6247 -19.6247 -19.0396 -19.0396 -19.0088 -19.0088 -18.9024 -18.9024 -18.8406 -18.8406 10.0398 10.0398 10.5606 10.5606 10.8080 10.8080 10.9342 10.9342 10.9424 10.9424 11.4261 11.4261 11.6079 11.6079 11.6352 11.6352 12.1525 12.1525 12.4328 12.4328 12.6542 12.6542 13.1272 13.1272 13.3448 13.3448 13.7372 13.7372 13.8999 13.8999 14.8910 14.8910 15.4700 15.4700 15.7936 15.7936 k = 0.0000 0.7088 0.3494 ( 4458 PWs) bands (ev): -42.8560 -42.8560 -42.8335 -42.8335 -19.6477 -19.6477 -19.6247 -19.6247 -19.0396 -19.0396 -19.0088 -19.0088 -18.9023 -18.9023 -18.8407 -18.8407 10.0398 10.0398 10.5600 10.5600 10.8086 10.8086 10.9343 10.9343 10.9415 10.9415 11.4263 11.4263 11.6077 11.6077 11.6356 11.6356 12.1525 12.1525 12.4324 12.4324 12.6559 12.6559 13.1279 13.1279 13.3455 13.3455 13.7396 13.7396 13.8966 13.8966 14.8910 14.8910 15.4706 15.4706 15.7935 15.7935 k = 0.0000 0.7088 0.3494 ( 4458 PWs) bands (ev): -42.8560 -42.8560 -42.8335 -42.8335 -19.6477 -19.6477 -19.6247 -19.6247 -19.0396 -19.0396 -19.0088 -19.0088 -18.9023 -18.9023 -18.8407 -18.8407 10.0398 10.0398 10.5600 10.5600 10.8086 10.8086 10.9343 10.9343 10.9415 10.9415 11.4263 11.4263 11.6077 11.6077 11.6356 11.6356 12.1525 12.1525 12.4324 12.4324 12.6559 12.6559 13.1279 13.1279 13.3455 13.3455 13.7396 13.7396 13.8966 13.8966 14.8910 14.8910 15.4706 15.4706 15.7935 15.7935 k = 0.0128 0.7088 0.3494 ( 4454 PWs) bands (ev): -42.8560 -42.8560 -42.8335 -42.8335 -19.6477 -19.6477 -19.6248 -19.6248 -19.0396 -19.0396 -19.0089 -19.0089 -18.9022 -18.9022 -18.8407 -18.8407 10.0388 10.0388 10.5601 10.5601 10.8082 10.8082 10.9042 10.9042 10.9727 10.9727 11.4280 11.4280 11.5933 11.5933 11.6479 11.6479 12.1527 12.1527 12.4319 12.4319 12.6564 12.6564 13.1307 13.1307 13.3457 13.3457 13.7398 13.7398 13.8975 13.8975 14.8893 14.8893 15.4716 15.4716 15.7903 15.7903 k = 0.0256 0.7088 0.3494 ( 4440 PWs) bands (ev): -42.8560 -42.8560 -42.8336 -42.8336 -19.6477 -19.6477 -19.6248 -19.6248 -19.0397 -19.0397 -19.0091 -19.0091 -18.9019 -18.9019 -18.8406 -18.8406 10.0360 10.0360 10.5604 10.5604 10.8066 10.8066 10.8725 10.8725 11.0081 11.0081 11.4332 11.4332 11.5691 11.5691 11.6662 11.6662 12.1531 12.1531 12.4304 12.4304 12.6585 12.6585 13.1389 13.1389 13.3464 13.3464 13.7405 13.7405 13.9001 13.9001 14.8842 14.8842 15.4747 15.4747 15.7811 15.7811 k = 0.0385 0.7088 0.3494 ( 4442 PWs) bands (ev): -42.8559 -42.8559 -42.8336 -42.8336 -19.6477 -19.6477 -19.6249 -19.6249 -19.0400 -19.0400 -19.0094 -19.0094 -18.9015 -18.9015 -18.8405 -18.8405 10.0315 10.0315 10.5610 10.5610 10.8024 10.8024 10.8439 10.8439 11.0442 11.0442 11.4413 11.4413 11.5429 11.5429 11.6831 11.6831 12.1537 12.1537 12.4280 12.4280 12.6625 12.6625 13.1518 13.1518 13.3477 13.3477 13.7416 13.7416 13.9045 13.9045 14.8759 14.8759 15.4798 15.4798 15.7667 15.7667 k = 0.0513 0.7088 0.3494 ( 4446 PWs) bands (ev): -42.8559 -42.8559 -42.8337 -42.8337 -19.6477 -19.6477 -19.6250 -19.6250 -19.0402 -19.0402 -19.0098 -19.0098 -18.9008 -18.9008 -18.8404 -18.8404 10.0253 10.0253 10.5616 10.5616 10.7903 10.7903 10.8239 10.8239 11.0809 11.0809 11.4512 11.4512 11.5169 11.5169 11.6975 11.6975 12.1541 12.1541 12.4247 12.4247 12.6696 12.6696 13.1687 13.1687 13.3494 13.3494 13.7433 13.7433 13.9107 13.9107 14.8643 14.8643 15.4869 15.4869 15.7483 15.7483 k = 0.0641 0.7088 0.3494 ( 4442 PWs) bands (ev): -42.8558 -42.8558 -42.8338 -42.8338 -19.6477 -19.6477 -19.6251 -19.6251 -19.0406 -19.0406 -19.0104 -19.0104 -18.9000 -18.9000 -18.8402 -18.8402 10.0176 10.0176 10.5624 10.5624 10.7674 10.7674 10.8154 10.8154 11.1179 11.1179 11.4562 11.4562 11.4982 11.4982 11.7090 11.7090 12.1542 12.1542 12.4206 12.4206 12.6806 12.6806 13.1885 13.1885 13.3518 13.3518 13.7454 13.7454 13.9188 13.9188 14.8497 14.8497 15.4957 15.4957 15.7271 15.7271 k = 0.0769 0.7088 0.3494 ( 4444 PWs) bands (ev): -42.8557 -42.8557 -42.8339 -42.8339 -19.6476 -19.6476 -19.6253 -19.6253 -19.0410 -19.0410 -19.0110 -19.0110 -18.8990 -18.8990 -18.8400 -18.8400 10.0087 10.0087 10.5632 10.5632 10.7407 10.7407 10.8114 10.8114 11.1548 11.1548 11.4412 11.4412 11.5023 11.5023 11.7174 11.7174 12.1539 12.1539 12.4159 12.4159 12.6963 12.6963 13.2104 13.2104 13.3548 13.3548 13.7480 13.7480 13.9290 13.9290 14.8323 14.8323 15.5062 15.5062 15.7040 15.7040 k = 0.0897 0.7088 0.3494 ( 4454 PWs) bands (ev): -42.8556 -42.8556 -42.8340 -42.8340 -19.6476 -19.6476 -19.6254 -19.6254 -19.0415 -19.0415 -19.0118 -19.0118 -18.8978 -18.8978 -18.8397 -18.8397 9.9987 9.9987 10.5638 10.5638 10.7137 10.7137 10.8085 10.8085 11.1914 11.1914 11.4152 11.4152 11.5204 11.5204 11.7226 11.7226 12.1536 12.1536 12.4107 12.4107 12.7170 12.7170 13.2333 13.2333 13.3584 13.3584 13.7512 13.7512 13.9412 13.9412 14.8121 14.8121 15.5181 15.5181 15.6797 15.6797 k = 0.1026 0.7088 0.3494 ( 4448 PWs) bands (ev): -42.8554 -42.8554 -42.8341 -42.8341 -19.6476 -19.6476 -19.6256 -19.6256 -19.0421 -19.0421 -19.0126 -19.0126 -18.8966 -18.8966 -18.8394 -18.8394 9.9878 9.9878 10.5642 10.5642 10.6874 10.6874 10.8056 10.8056 11.2268 11.2268 11.3878 11.3878 11.5436 11.5436 11.7244 11.7244 12.1536 12.1536 12.4052 12.4052 12.7428 12.7428 13.2566 13.2566 13.3629 13.3629 13.7550 13.7550 13.9556 13.9556 14.7895 14.7895 15.5311 15.5311 15.6548 15.6548 k = 0.1154 0.7088 0.3494 ( 4444 PWs) bands (ev): -42.8553 -42.8553 -42.8343 -42.8343 -19.6475 -19.6475 -19.6259 -19.6259 -19.0427 -19.0427 -19.0135 -19.0135 -18.8951 -18.8951 -18.8391 -18.8391 9.9764 9.9764 10.5641 10.5641 10.6621 10.6621 10.8026 10.8026 11.2588 11.2588 11.3629 11.3629 11.5696 11.5696 11.7229 11.7229 12.1544 12.1544 12.3994 12.3994 12.7737 12.7737 13.2795 13.2795 13.3681 13.3681 13.7594 13.7594 13.9722 13.9722 14.7647 14.7647 15.5448 15.5448 15.6299 15.6299 k = 0.1282 0.7088 0.3494 ( 4444 PWs) bands (ev): -42.8551 -42.8551 -42.8344 -42.8344 -19.6475 -19.6475 -19.6261 -19.6261 -19.0433 -19.0433 -19.0146 -19.0146 -18.8936 -18.8936 -18.8388 -18.8388 9.9645 9.9645 10.5634 10.5634 10.6380 10.6380 10.7991 10.7991 11.2796 11.2796 11.3491 11.3491 11.5977 11.5977 11.7183 11.7183 12.1568 12.1568 12.3936 12.3936 12.8092 12.8092 13.3017 13.3017 13.3743 13.3743 13.7644 13.7644 13.9910 13.9910 14.7381 14.7381 15.5583 15.5583 15.6057 15.6057 k = 0.1410 0.7088 0.3494 ( 4442 PWs) bands (ev): -42.8549 -42.8549 -42.8346 -42.8346 -19.6474 -19.6474 -19.6264 -19.6264 -19.0440 -19.0440 -19.0156 -19.0156 -18.8920 -18.8920 -18.8385 -18.8385 9.9525 9.9525 10.5618 10.5618 10.6151 10.6151 10.7951 10.7951 11.2750 11.2750 11.3607 11.3607 11.6270 11.6270 11.7110 11.7110 12.1611 12.1611 12.3880 12.3880 12.8489 12.8489 13.3227 13.3227 13.3815 13.3815 13.7701 13.7701 14.0120 14.0120 14.7098 14.7098 15.5657 15.5657 15.5878 15.5878 k = 0.1538 0.7088 0.3494 ( 4446 PWs) bands (ev): -42.8547 -42.8547 -42.8348 -42.8348 -19.6473 -19.6473 -19.6268 -19.6268 -19.0447 -19.0447 -19.0168 -19.0168 -18.8902 -18.8902 -18.8381 -18.8381 9.9405 9.9405 10.5588 10.5588 10.5939 10.5939 10.7905 10.7905 11.2553 11.2553 11.3876 11.3876 11.6560 11.6560 11.7027 11.7027 12.1675 12.1675 12.3829 12.3829 12.8924 12.8924 13.3423 13.3423 13.3898 13.3898 13.7765 13.7765 14.0351 14.0351 14.6803 14.6803 15.5494 15.5494 15.5935 15.5935 k = 0.1667 0.7088 0.3494 ( 4452 PWs) bands (ev): -42.8545 -42.8545 -42.8350 -42.8350 -19.6472 -19.6472 -19.6271 -19.6271 -19.0454 -19.0454 -19.0180 -19.0180 -18.8884 -18.8884 -18.8378 -18.8378 9.9287 9.9287 10.5532 10.5532 10.5752 10.5752 10.7852 10.7852 11.2329 11.2329 11.4176 11.4176 11.6746 11.6746 11.7033 11.7033 12.1761 12.1761 12.3786 12.3786 12.9391 12.9391 13.3604 13.3604 13.3992 13.3992 13.7837 13.7837 14.0602 14.0602 14.6499 14.6499 15.5259 15.5259 15.6059 15.6059 k = 0.1795 0.7088 0.3494 ( 4460 PWs) bands (ev): -42.8543 -42.8543 -42.8352 -42.8352 -19.6471 -19.6471 -19.6274 -19.6274 -19.0461 -19.0461 -19.0192 -19.0192 -18.8865 -18.8865 -18.8374 -18.8374 9.9173 9.9173 10.5430 10.5430 10.5609 10.5609 10.7790 10.7790 11.2112 11.2112 11.4473 11.4473 11.6681 11.6681 11.7272 11.7272 12.1870 12.1870 12.3756 12.3756 12.9886 12.9886 13.3773 13.3773 13.4097 13.4097 13.7915 13.7915 14.0870 14.0870 14.6188 14.6188 15.5017 15.5017 15.6179 15.6179 k = 0.1923 0.7088 0.3494 ( 4468 PWs) bands (ev): -42.8540 -42.8540 -42.8355 -42.8355 -19.6470 -19.6470 -19.6278 -19.6278 -19.0469 -19.0469 -19.0205 -19.0205 -18.8846 -18.8846 -18.8371 -18.8371 9.9064 9.9064 10.5282 10.5282 10.5508 10.5508 10.7718 10.7718 11.1916 11.1916 11.4758 11.4758 11.6548 11.6548 11.7560 11.7560 12.2001 12.2001 12.3743 12.3743 13.0402 13.0402 13.3929 13.3929 13.4215 13.4215 13.8001 13.8001 14.1154 14.1154 14.5876 14.5876 15.4776 15.4776 15.6283 15.6283 k = 0.2051 0.7088 0.3494 ( 4470 PWs) bands (ev): -42.8537 -42.8537 -42.8358 -42.8358 -19.6469 -19.6469 -19.6282 -19.6282 -19.0476 -19.0476 -19.0219 -19.0219 -18.8826 -18.8826 -18.8367 -18.8367 9.8962 9.8962 10.5124 10.5124 10.5409 10.5409 10.7637 10.7637 11.1747 11.1747 11.5025 11.5025 11.6404 11.6404 11.7837 11.7837 12.2152 12.2152 12.3755 12.3755 13.0935 13.0935 13.4077 13.4077 13.4347 13.4347 13.8094 13.8094 14.1452 14.1452 14.5565 14.5565 15.4535 15.4535 15.6365 15.6365 k = 0.2179 0.7088 0.3494 ( 4472 PWs) bands (ev): -42.8535 -42.8535 -42.8360 -42.8360 -19.6468 -19.6468 -19.6287 -19.6287 -19.0483 -19.0483 -19.0232 -19.0232 -18.8806 -18.8806 -18.8364 -18.8364 9.8867 9.8867 10.4971 10.4971 10.5297 10.5297 10.7545 10.7545 11.1609 11.1609 11.5271 11.5271 11.6260 11.6260 11.8087 11.8087 12.2324 12.2324 12.3795 12.3795 13.1477 13.1477 13.4220 13.4220 13.4493 13.4493 13.8193 13.8193 14.1760 14.1760 14.5260 14.5260 15.4296 15.4296 15.6418 15.6418 k = 0.2308 0.7088 0.3494 ( 4478 PWs) bands (ev): -42.8532 -42.8532 -42.8363 -42.8363 -19.6466 -19.6466 -19.6291 -19.6291 -19.0489 -19.0489 -19.0246 -19.0246 -18.8785 -18.8785 -18.8361 -18.8361 9.8782 9.8782 10.4828 10.4828 10.5165 10.5165 10.7441 10.7441 11.1505 11.1505 11.5491 11.5491 11.6126 11.6126 11.8297 11.8297 12.2517 12.2517 12.3868 12.3868 13.2017 13.2017 13.4365 13.4365 13.4655 13.4655 13.8298 13.8298 14.2076 14.2076 14.4964 14.4964 15.4059 15.4059 15.6437 15.6437 k = 0.2436 0.7088 0.3494 ( 4478 PWs) bands (ev): -42.8528 -42.8528 -42.8366 -42.8366 -19.6465 -19.6465 -19.6295 -19.6295 -19.0496 -19.0496 -19.0260 -19.0260 -18.8764 -18.8764 -18.8358 -18.8358 9.8707 9.8707 10.4696 10.4696 10.5011 10.5011 10.7328 10.7328 11.1436 11.1436 11.5672 11.5672 11.6019 11.6019 11.8459 11.8459 12.2732 12.2732 12.3978 12.3978 13.2540 13.2540 13.4527 13.4527 13.4834 13.4834 13.8408 13.8408 14.2398 14.2398 14.4684 14.4684 15.3823 15.3823 15.6417 15.6417 k = 0.2564 0.7088 0.3494 ( 4482 PWs) bands (ev): -42.8525 -42.8525 -42.8369 -42.8369 -19.6463 -19.6463 -19.6300 -19.6300 -19.0502 -19.0502 -19.0274 -19.0274 -18.8744 -18.8744 -18.8356 -18.8356 9.8642 9.8642 10.4576 10.4576 10.4835 10.4835 10.7205 10.7205 11.1402 11.1402 11.5746 11.5746 11.6005 11.6005 11.8567 11.8567 12.2968 12.2968 12.4124 12.4124 13.3020 13.3020 13.4729 13.4729 13.5030 13.5030 13.8522 13.8522 14.2723 14.2723 14.4424 14.4424 15.3589 15.3589 15.6354 15.6354 k = 0.2692 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8522 -42.8522 -42.8373 -42.8373 -19.6461 -19.6461 -19.6305 -19.6305 -19.0507 -19.0507 -19.0288 -19.0288 -18.8723 -18.8723 -18.8354 -18.8354 9.8589 9.8589 10.4468 10.4468 10.4638 10.4638 10.7074 10.7074 11.1402 11.1402 11.5691 11.5691 11.6113 11.6113 11.8620 11.8620 12.3224 12.3224 12.4304 12.4304 13.3419 13.3419 13.4999 13.4999 13.5248 13.5248 13.8640 13.8640 14.3050 14.3050 14.4190 14.4190 15.3356 15.3356 15.6245 15.6245 k = 0.2821 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8518 -42.8518 -42.8376 -42.8376 -19.6459 -19.6459 -19.6310 -19.6310 -19.0512 -19.0512 -19.0302 -19.0302 -18.8702 -18.8702 -18.8352 -18.8352 9.8548 9.8548 10.4368 10.4368 10.4425 10.4425 10.6936 10.6936 11.1434 11.1434 11.5612 11.5612 11.6236 11.6236 11.8620 11.8620 12.3496 12.3496 12.4516 12.4516 13.3712 13.3712 13.5316 13.5316 13.5529 13.5529 13.8762 13.8762 14.3374 14.3374 14.3989 14.3989 15.3124 15.3124 15.6086 15.6086 k = 0.2949 0.7088 0.3494 ( 4480 PWs) bands (ev): -42.8515 -42.8515 -42.8380 -42.8380 -19.6457 -19.6457 -19.6315 -19.6315 -19.0517 -19.0517 -19.0316 -19.0316 -18.8682 -18.8682 -18.8351 -18.8351 9.8520 9.8520 10.4179 10.4179 10.4296 10.4296 10.6792 10.6792 11.1496 11.1496 11.5540 11.5540 11.6346 11.6346 11.8572 11.8572 12.3779 12.3779 12.4754 12.4754 13.3907 13.3907 13.5577 13.5577 13.5963 13.5963 13.8889 13.8889 14.3673 14.3673 14.3849 14.3849 15.2893 15.2893 15.5876 15.5876 k = 0.3077 0.7088 0.3494 ( 4478 PWs) bands (ev): -42.8511 -42.8511 -42.8383 -42.8383 -19.6455 -19.6455 -19.6320 -19.6320 -19.0521 -19.0521 -19.0330 -19.0330 -18.8662 -18.8662 -18.8351 -18.8351 9.8506 9.8506 10.3930 10.3930 10.4224 10.4224 10.6644 10.6644 11.1584 11.1584 11.5481 11.5481 11.6435 11.6435 11.8481 11.8481 12.4068 12.4068 12.5012 12.5012 13.4036 13.4036 13.5789 13.5789 13.6498 13.6498 13.9026 13.9026 14.3674 14.3674 14.4045 14.4045 15.2662 15.2662 15.5613 15.5613 k = 0.3205 0.7088 0.3494 ( 4482 PWs) bands (ev): -42.8507 -42.8507 -42.8387 -42.8387 -19.6452 -19.6452 -19.6326 -19.6326 -19.0524 -19.0524 -19.0344 -19.0344 -18.8642 -18.8642 -18.8351 -18.8351 9.8505 9.8505 10.3667 10.3667 10.4165 10.4165 10.6493 10.6493 11.1698 11.1698 11.5437 11.5437 11.6504 11.6504 11.8355 11.8355 12.4358 12.4358 12.5284 12.5284 13.4125 13.4125 13.5973 13.5973 13.7077 13.7077 13.9180 13.9180 14.3600 14.3600 14.4357 14.4357 15.2432 15.2432 15.5297 15.5297 k = 0.3333 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8503 -42.8503 -42.8391 -42.8391 -19.6450 -19.6450 -19.6331 -19.6331 -19.0527 -19.0527 -19.0358 -19.0358 -18.8622 -18.8622 -18.8351 -18.8351 9.8518 9.8518 10.3395 10.3395 10.4120 10.4120 10.6340 10.6340 11.1833 11.1833 11.5408 11.5408 11.6552 11.6552 11.8200 11.8200 12.4647 12.4647 12.5563 12.5563 13.4190 13.4190 13.6122 13.6122 13.7675 13.7675 13.9361 13.9361 14.3568 14.3568 14.4667 14.4667 15.2203 15.2203 15.4931 15.4931 k = 0.3462 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8499 -42.8499 -42.8395 -42.8395 -19.6447 -19.6447 -19.6336 -19.6336 -19.0529 -19.0529 -19.0371 -19.0371 -18.8603 -18.8603 -18.8352 -18.8352 9.8545 9.8545 10.3117 10.3117 10.4086 10.4086 10.6186 10.6186 11.1987 11.1987 11.5395 11.5395 11.6579 11.6579 11.8022 11.8022 12.4932 12.4932 12.5840 12.5840 13.4240 13.4240 13.6226 13.6226 13.8279 13.8279 13.9582 13.9582 14.3579 14.3579 14.4971 14.4971 15.1975 15.1975 15.4518 15.4518 k = 0.3590 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8495 -42.8495 -42.8399 -42.8399 -19.6444 -19.6444 -19.6342 -19.6342 -19.0530 -19.0530 -19.0384 -19.0384 -18.8585 -18.8585 -18.8354 -18.8354 9.8587 9.8587 10.2835 10.2835 10.4065 10.4065 10.6031 10.6031 11.2160 11.2160 11.5395 11.5395 11.6586 11.6586 11.7826 11.7826 12.5211 12.5211 12.6110 12.6110 13.4283 13.4283 13.6279 13.6279 13.8879 13.8879 13.9850 13.9850 14.3630 14.3630 14.5267 14.5267 15.1747 15.1747 15.4061 15.4061 k = 0.3718 0.7088 0.3494 ( 4482 PWs) bands (ev): -42.8491 -42.8491 -42.8403 -42.8403 -19.6441 -19.6441 -19.6347 -19.6347 -19.0531 -19.0531 -19.0396 -19.0396 -18.8567 -18.8567 -18.8356 -18.8356 9.8644 9.8644 10.2551 10.2551 10.4056 10.4056 10.5878 10.5878 11.2347 11.2347 11.5409 11.5409 11.6572 11.6572 11.7618 11.7618 12.5484 12.5484 12.6365 12.6365 13.4321 13.4321 13.6279 13.6279 13.9467 13.9467 14.0170 14.0170 14.3716 14.3716 14.5552 14.5552 15.1520 15.1520 15.3566 15.3566 k = 0.3846 0.7088 0.3494 ( 4482 PWs) bands (ev): -42.8487 -42.8487 -42.8407 -42.8407 -19.6437 -19.6437 -19.6353 -19.6353 -19.0530 -19.0530 -19.0409 -19.0409 -18.8549 -18.8549 -18.8360 -18.8360 9.8715 9.8715 10.2268 10.2268 10.4058 10.4058 10.5726 10.5726 11.2549 11.2549 11.5434 11.5434 11.6537 11.6537 11.7403 11.7403 12.5747 12.5747 12.6601 12.6601 13.4359 13.4359 13.6230 13.6230 14.0036 14.0036 14.0541 14.0541 14.3829 14.3829 14.5824 14.5824 15.1294 15.1294 15.3042 15.3042 k = 0.3974 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8482 -42.8482 -42.8411 -42.8411 -19.6434 -19.6434 -19.6358 -19.6358 -19.0530 -19.0530 -19.0421 -19.0421 -18.8532 -18.8532 -18.8364 -18.8364 9.8801 9.8801 10.1988 10.1988 10.4072 10.4072 10.5576 10.5576 11.2763 11.2763 11.5469 11.5469 11.6478 11.6478 11.7188 11.7188 12.6001 12.6001 12.6813 12.6813 13.4398 13.4398 13.6141 13.6141 14.0581 14.0581 14.0954 14.0954 14.3963 14.3963 14.6080 14.6080 15.1069 15.1069 15.2495 15.2495 k = 0.4103 0.7088 0.3494 ( 4480 PWs) bands (ev): -42.8478 -42.8478 -42.8416 -42.8416 -19.6430 -19.6430 -19.6364 -19.6364 -19.0528 -19.0528 -19.0432 -19.0432 -18.8516 -18.8516 -18.8368 -18.8368 9.8902 9.8902 10.1712 10.1712 10.4097 10.4097 10.5430 10.5430 11.2988 11.2988 11.5512 11.5512 11.6390 11.6390 11.6985 11.6985 12.6242 12.6242 12.6997 12.6997 13.4441 13.4441 13.6022 13.6022 14.1098 14.1098 14.1396 14.1396 14.4111 14.4111 14.6313 14.6313 15.0847 15.0847 15.1939 15.1939 k = 0.4231 0.7088 0.3494 ( 4484 PWs) bands (ev): -42.8474 -42.8474 -42.8420 -42.8420 -19.6426 -19.6426 -19.6369 -19.6369 -19.0526 -19.0526 -19.0443 -19.0443 -18.8500 -18.8500 -18.8374 -18.8374 9.9018 9.9018 10.1442 10.1442 10.4133 10.4133 10.5288 10.5288 11.3223 11.3223 11.5557 11.5557 11.6268 11.6268 11.6805 11.6805 12.6468 12.6468 12.7151 12.7151 13.4490 13.4490 13.5883 13.5883 14.1583 14.1583 14.1849 14.1849 14.4272 14.4272 14.6516 14.6516 15.0628 15.0628 15.1386 15.1386 k = 0.4359 0.7088 0.3494 ( 4482 PWs) bands (ev): -42.8469 -42.8469 -42.8424 -42.8424 -19.6422 -19.6422 -19.6375 -19.6375 -19.0523 -19.0523 -19.0453 -19.0453 -18.8486 -18.8486 -18.8380 -18.8380 9.9148 9.9148 10.1179 10.1179 10.4179 10.4179 10.5151 10.5151 11.3465 11.3465 11.5592 11.5592 11.6119 11.6119 11.6656 11.6656 12.6677 12.6677 12.7273 12.7273 13.4546 13.4546 13.5731 13.5731 14.2027 14.2027 14.2294 14.2294 14.4448 14.4448 14.6675 14.6675 15.0414 15.0414 15.0857 15.0857 k = 0.4487 0.7088 0.3494 ( 4476 PWs) bands (ev): -42.8465 -42.8465 -42.8429 -42.8429 -19.6418 -19.6418 -19.6380 -19.6380 -19.0519 -19.0519 -19.0463 -19.0463 -18.8471 -18.8471 -18.8387 -18.8387 9.9293 9.9293 10.0924 10.0924 10.4236 10.4236 10.5019 10.5019 11.3715 11.3715 11.5580 11.5580 11.5988 11.5988 11.6532 11.6532 12.6866 12.6866 12.7361 12.7361 13.4613 13.4613 13.5575 13.5575 14.2422 14.2422 14.2703 14.2703 14.4653 14.4653 14.6767 14.6767 15.0207 15.0207 15.0381 15.0381 k = 0.4615 0.7088 0.3494 ( 4470 PWs) bands (ev): -42.8460 -42.8460 -42.8433 -42.8433 -19.6414 -19.6414 -19.6385 -19.6385 -19.0514 -19.0514 -19.0472 -19.0472 -18.8458 -18.8458 -18.8395 -18.8395 9.9452 9.9452 10.0680 10.0680 10.4303 10.4303 10.4894 10.4894 11.3969 11.3969 11.5457 11.5457 11.5949 11.5949 11.6425 11.6425 12.7032 12.7032 12.7415 12.7415 13.4691 13.4691 13.5420 13.5420 14.2758 14.2758 14.3037 14.3037 14.4908 14.4908 14.6761 14.6761 14.9982 14.9982 15.0027 15.0027 k = 0.4744 0.7088 0.3494 ( 4470 PWs) bands (ev): -42.8456 -42.8456 -42.8438 -42.8438 -19.6409 -19.6409 -19.6390 -19.6390 -19.0509 -19.0509 -19.0481 -19.0481 -18.8445 -18.8445 -18.8403 -18.8403 9.9625 9.9625 10.0445 10.0445 10.4380 10.4380 10.4775 10.4775 11.4228 11.4228 11.5247 11.5247 11.5989 11.5989 11.6325 11.6325 12.7173 12.7173 12.7433 12.7433 13.4781 13.4781 13.5270 13.5270 14.3028 14.3028 14.3259 14.3259 14.5231 14.5231 14.6629 14.6629 14.9731 14.9731 14.9846 14.9846 k = 0.4872 0.7088 0.3494 ( 4472 PWs) bands (ev): -42.8451 -42.8451 -42.8442 -42.8442 -19.6405 -19.6405 -19.6395 -19.6395 -19.0503 -19.0503 -19.0489 -19.0489 -18.8434 -18.8434 -18.8412 -18.8412 9.9811 9.9811 10.0221 10.0221 10.4466 10.4466 10.4664 10.4664 11.4489 11.4489 11.5004 11.5004 11.6059 11.6059 11.6231 11.6231 12.7286 12.7286 12.7417 12.7417 13.4884 13.4884 13.5130 13.5130 14.3225 14.3225 14.3356 14.3356 14.5612 14.5612 14.6366 14.6366 14.9615 14.9615 14.9706 14.9706 k = 0.5000 0.7088 0.3494 ( 4472 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6400 -19.6400 -19.6400 -19.6400 -19.0496 -19.0496 -19.0496 -19.0496 -18.8423 -18.8423 -18.8423 -18.8423 10.0010 10.0010 10.0010 10.0010 10.4561 10.4561 10.4561 10.4561 11.4749 11.4749 11.4749 11.4749 11.6142 11.6142 11.6142 11.6142 12.7368 12.7368 12.7368 12.7368 13.5000 13.5000 13.5000 13.5000 14.3339 14.3339 14.3339 14.3339 14.6009 14.6009 14.6009 14.6009 14.9618 14.9618 14.9618 14.9618 k = 0.5000 0.7088 0.3494 ( 4472 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6400 -19.6400 -19.6400 -19.6400 -19.0496 -19.0496 -19.0496 -19.0496 -18.8423 -18.8423 -18.8423 -18.8423 10.0010 10.0010 10.0010 10.0010 10.4561 10.4561 10.4561 10.4561 11.4749 11.4749 11.4749 11.4749 11.6142 11.6142 11.6142 11.6142 12.7368 12.7368 12.7368 12.7368 13.5000 13.5000 13.5000 13.5000 14.3339 14.3339 14.3339 14.3339 14.6009 14.6009 14.6009 14.6009 14.9618 14.9618 14.9618 14.9618 k = 0.5000 0.7141 0.3386 ( 4470 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6400 -19.6400 -19.6400 -19.6400 -19.0499 -19.0499 -19.0493 -19.0493 -18.8426 -18.8426 -18.8420 -18.8420 10.0013 10.0013 10.0017 10.0017 10.4565 10.4565 10.4568 10.4568 11.4724 11.4724 11.4772 11.4772 11.6117 11.6117 11.6178 11.6178 12.7351 12.7351 12.7361 12.7361 13.4987 13.4987 13.5001 13.5001 14.3215 14.3215 14.3272 14.3272 14.6064 14.6064 14.6116 14.6116 14.9623 14.9623 14.9627 14.9627 k = 0.5000 0.7194 0.3279 ( 4466 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6399 -19.6399 -19.6399 -19.6399 -19.0501 -19.0501 -19.0489 -19.0489 -18.8430 -18.8430 -18.8418 -18.8418 10.0026 10.0026 10.0035 10.0035 10.4580 10.4580 10.4587 10.4587 11.4697 11.4697 11.4793 11.4793 11.6106 11.6106 11.6226 11.6226 12.7312 12.7312 12.7330 12.7330 13.4962 13.4962 13.4989 13.4989 14.2940 14.2940 14.3037 14.3037 14.6257 14.6257 14.6343 14.6343 14.9643 14.9643 14.9651 14.9651 k = 0.5000 0.7247 0.3171 ( 4462 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6398 -19.6398 -19.6397 -19.6397 -19.0502 -19.0502 -19.0484 -19.0484 -18.8434 -18.8434 -18.8417 -18.8417 10.0050 10.0050 10.0062 10.0062 10.4607 10.4607 10.4617 10.4617 11.4671 11.4671 11.4811 11.4811 11.6108 11.6108 11.6285 11.6285 12.7250 12.7250 12.7277 12.7277 13.4923 13.4923 13.4962 13.4962 14.2577 14.2577 14.2695 14.2695 14.6525 14.6525 14.6625 14.6625 14.9679 14.9679 14.9693 14.9693 k = 0.5000 0.7300 0.3063 ( 4470 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6397 -19.6397 -19.6396 -19.6396 -19.0503 -19.0503 -19.0478 -19.0478 -18.8439 -18.8439 -18.8416 -18.8416 10.0084 10.0084 10.0100 10.0100 10.4644 10.4644 10.4659 10.4659 11.4645 11.4645 11.4825 11.4825 11.6123 11.6123 11.6353 11.6353 12.7164 12.7164 12.7200 12.7200 13.4869 13.4869 13.4920 13.4920 14.2170 14.2170 14.2299 14.2299 14.6810 14.6810 14.6911 14.6911 14.9737 14.9737 14.9760 14.9760 k = 0.5000 0.7353 0.2956 ( 4480 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6395 -19.6395 -19.6393 -19.6393 -19.0502 -19.0502 -19.0472 -19.0472 -18.8444 -18.8444 -18.8415 -18.8415 10.0128 10.0128 10.0148 10.0148 10.4693 10.4693 10.4711 10.4711 11.4621 11.4621 11.4836 11.4836 11.6152 11.6152 11.6431 11.6431 12.7057 12.7057 12.7101 12.7101 13.4798 13.4798 13.4861 13.4861 14.1748 14.1748 14.1879 14.1879 14.7076 14.7076 14.7169 14.7169 14.9820 14.9820 14.9854 14.9854 k = 0.5000 0.7406 0.2848 ( 4482 PWs) bands (ev): -42.8449 -42.8449 -42.8449 -42.8449 -19.6392 -19.6392 -19.6390 -19.6390 -19.0501 -19.0501 -19.0465 -19.0465 -18.8450 -18.8450 -18.8416 -18.8416 10.0182 10.0182 10.0206 10.0206 10.4751 10.4751 10.4773 10.4773 11.4597 11.4597 11.4845 11.4845 11.6193 11.6193 11.6517 11.6517 12.6927 12.6927 12.6979 12.6979 13.4708 13.4708 13.4780 13.4780 14.1327 14.1327 14.1458 14.1458 14.7297 14.7297 14.7375 14.7375 14.9932 14.9932 14.9981 14.9981 k = 0.5000 0.7459 0.2741 ( 4480 PWs) bands (ev): -42.8450 -42.8450 -42.8450 -42.8450 -19.6389 -19.6389 -19.6387 -19.6387 -19.0499 -19.0499 -19.0458 -19.0458 -18.8457 -18.8457 -18.8417 -18.8417 10.0247 10.0247 10.0273 10.0273 10.4819 10.4819 10.4846 10.4846 11.4576 11.4576 11.4850 11.4850 11.6247 11.6247 11.6612 11.6612 12.6776 12.6776 12.6836 12.6836 13.4596 13.4596 13.4675 13.4675 14.0922 14.0922 14.1047 14.1047 14.7461 14.7461 14.7521 14.7521 15.0073 15.0073 15.0137 15.0137 k = 0.5000 0.7512 0.2633 ( 4482 PWs) bands (ev): -42.8450 -42.8450 -42.8450 -42.8450 -19.6386 -19.6386 -19.6383 -19.6383 -19.0497 -19.0497 -19.0449 -19.0449 -18.8464 -18.8464 -18.8418 -18.8418 10.0320 10.0320 10.0350 10.0350 10.4896 10.4896 10.4928 10.4928 11.4557 11.4557 11.4854 11.4854 11.6312 11.6312 11.6713 11.6713 12.6604 12.6604 12.6671 12.6671 13.4458 13.4458 13.4544 13.4544 14.0541 14.0541 14.0658 14.0658 14.7565 14.7565 14.7606 14.7606 15.0234 15.0234 15.0313 15.0313 k = 0.5000 0.7565 0.2525 ( 4474 PWs) bands (ev): -42.8451 -42.8451 -42.8451 -42.8451 -19.6382 -19.6382 -19.6379 -19.6379 -19.0493 -19.0493 -19.0440 -19.0440 -18.8471 -18.8471 -18.8420 -18.8420 10.0403 10.0403 10.0435 10.0435 10.4982 10.4982 10.5018 10.5018 11.4541 11.4541 11.4857 11.4857 11.6388 11.6388 11.6822 11.6822 12.6412 12.6412 12.6485 12.6485 13.4291 13.4291 13.4381 13.4381 14.0192 14.0192 14.0297 14.0297 14.7612 14.7612 14.7635 14.7635 15.0406 15.0406 15.0496 15.0496 k = 0.5000 0.7565 0.2525 ( 4474 PWs) bands (ev): -42.8451 -42.8451 -42.8451 -42.8451 -19.6382 -19.6382 -19.6379 -19.6379 -19.0493 -19.0493 -19.0440 -19.0440 -18.8471 -18.8471 -18.8420 -18.8420 10.0403 10.0403 10.0435 10.0435 10.4982 10.4982 10.5018 10.5018 11.4541 11.4541 11.4857 11.4857 11.6388 11.6388 11.6822 11.6822 12.6412 12.6412 12.6485 12.6485 13.4291 13.4291 13.4381 13.4381 14.0192 14.0192 14.0297 14.0297 14.7612 14.7612 14.7635 14.7635 15.0406 15.0406 15.0496 15.0496 k = 0.5000 0.7547 0.2396 ( 4476 PWs) bands (ev): -42.8451 -42.8451 -42.8451 -42.8451 -19.6383 -19.6383 -19.6379 -19.6379 -19.0492 -19.0492 -19.0434 -19.0434 -18.8480 -18.8480 -18.8425 -18.8425 10.0481 10.0481 10.0516 10.0516 10.5117 10.5117 10.5154 10.5154 11.4522 11.4522 11.4858 11.4858 11.6449 11.6449 11.6908 11.6908 12.6185 12.6185 12.6262 12.6262 13.4319 13.4319 13.4410 13.4410 13.9752 13.9752 13.9846 13.9846 14.7487 14.7487 14.7533 14.7533 15.0613 15.0613 15.0667 15.0667 k = 0.5000 0.7530 0.2267 ( 4476 PWs) bands (ev): -42.8451 -42.8451 -42.8451 -42.8451 -19.6383 -19.6383 -19.6379 -19.6379 -19.0490 -19.0490 -19.0427 -19.0427 -18.8489 -18.8489 -18.8430 -18.8430 10.0568 10.0568 10.0605 10.0605 10.5268 10.5268 10.5306 10.5306 11.4505 11.4505 11.4860 11.4860 11.6517 11.6517 11.6999 11.6999 12.5932 12.5932 12.6014 12.6014 13.4337 13.4337 13.4429 13.4429 13.9322 13.9322 13.9404 13.9404 14.7299 14.7299 14.7361 14.7361 15.0815 15.0815 15.0840 15.0840 k = 0.5000 0.7512 0.2137 ( 4484 PWs) bands (ev): -42.8450 -42.8450 -42.8450 -42.8450 -19.6383 -19.6383 -19.6379 -19.6379 -19.0487 -19.0487 -19.0420 -19.0420 -18.8499 -18.8499 -18.8436 -18.8436 10.0664 10.0664 10.0702 10.0702 10.5433 10.5433 10.5473 10.5473 11.4490 11.4490 11.4862 11.4862 11.6589 11.6589 11.7095 11.7095 12.5654 12.5654 12.5740 12.5740 13.4344 13.4344 13.4437 13.4437 13.8908 13.8908 13.8978 13.8978 14.7061 14.7061 14.7132 14.7132 15.0997 15.0997 15.1000 15.1000 k = 0.5000 0.7494 0.2008 ( 4484 PWs) bands (ev): -42.8450 -42.8450 -42.8450 -42.8450 -19.6383 -19.6383 -19.6378 -19.6378 -19.0483 -19.0483 -19.0413 -19.0413 -18.8509 -18.8509 -18.8443 -18.8443 10.0769 10.0769 10.0808 10.0808 10.5611 10.5611 10.5653 10.5653 11.4478 11.4478 11.4865 11.4865 11.6667 11.6667 11.7194 11.7194 12.5354 12.5354 12.5444 12.5444 13.4339 13.4339 13.4435 13.4435 13.8512 13.8512 13.8570 13.8570 14.6780 14.6780 14.6856 14.6856 15.1138 15.1138 15.1152 15.1152 k = 0.5000 0.7477 0.1878 ( 4488 PWs) bands (ev): -42.8450 -42.8450 -42.8450 -42.8450 -19.6383 -19.6383 -19.6378 -19.6378 -19.0479 -19.0479 -19.0405 -19.0405 -18.8519 -18.8519 -18.8451 -18.8451 10.0885 10.0885 10.0924 10.0924 10.5800 10.5800 10.5845 10.5845 11.4468 11.4468 11.4869 11.4869 11.6747 11.6747 11.7297 11.7297 12.5035 12.5035 12.5129 12.5129 13.4322 13.4322 13.4421 13.4421 13.8138 13.8138 13.8184 13.8184 14.6462 14.6462 14.6538 14.6538 15.1250 15.1250 15.1277 15.1277 k = 0.5000 0.7459 0.1749 ( 4490 PWs) bands (ev): -42.8450 -42.8450 -42.8449 -42.8449 -19.6383 -19.6383 -19.6377 -19.6377 -19.0474 -19.0474 -19.0397 -19.0397 -18.8530 -18.8530 -18.8459 -18.8459 10.1010 10.1010 10.1049 10.1049 10.5997 10.5997 10.6046 10.6046 11.4460 11.4460 11.4874 11.4874 11.6831 11.6831 11.7402 11.7402 12.4701 12.4701 12.4798 12.4798 13.4289 13.4289 13.4394 13.4394 13.7788 13.7788 13.7824 13.7824 14.6112 14.6112 14.6186 14.6186 15.1337 15.1337 15.1373 15.1373 k = 0.5000 0.7441 0.1620 ( 4490 PWs) bands (ev): -42.8449 -42.8449 -42.8449 -42.8449 -19.6383 -19.6383 -19.6376 -19.6376 -19.0468 -19.0468 -19.0388 -19.0388 -18.8542 -18.8542 -18.8468 -18.8468 10.1145 10.1145 10.1184 10.1184 10.6201 10.6201 10.6253 10.6253 11.4454 11.4454 11.4880 11.4880 11.6916 11.6916 11.7508 11.7508 12.4354 12.4354 12.4453 12.4453 13.4241 13.4241 13.4353 13.4353 13.7468 13.7468 13.7493 13.7493 14.5734 14.5734 14.5803 14.5803 15.1401 15.1401 15.1444 15.1444 k = 0.5000 0.7424 0.1490 ( 4480 PWs) bands (ev): -42.8449 -42.8449 -42.8449 -42.8449 -19.6382 -19.6382 -19.6376 -19.6376 -19.0461 -19.0461 -19.0380 -19.0380 -18.8553 -18.8553 -18.8478 -18.8478 10.1291 10.1291 10.1329 10.1329 10.6409 10.6409 10.6465 10.6465 11.4450 11.4450 11.4887 11.4887 11.7001 11.7001 11.7614 11.7614 12.3998 12.3998 12.4099 12.4099 13.4174 13.4174 13.4294 13.4294 13.7177 13.7177 13.7194 13.7194 14.5332 14.5332 14.5395 14.5395 15.1444 15.1444 15.1493 15.1493 k = 0.5000 0.7406 0.1361 ( 4484 PWs) bands (ev): -42.8449 -42.8449 -42.8449 -42.8449 -19.6382 -19.6382 -19.6375 -19.6375 -19.0454 -19.0454 -19.0372 -19.0372 -18.8564 -18.8564 -18.8488 -18.8488 10.1446 10.1446 10.1483 10.1483 10.6618 10.6618 10.6679 10.6679 11.4448 11.4448 11.4895 11.4895 11.7085 11.7085 11.7719 11.7719 12.3639 12.3639 12.3739 12.3739 13.4086 13.4086 13.4217 13.4217 13.6920 13.6920 13.6930 13.6930 14.4910 14.4910 14.4965 14.4965 15.1472 15.1472 15.1523 15.1523 k = 0.5000 0.7388 0.1231 ( 4486 PWs) bands (ev): -42.8449 -42.8449 -42.8449 -42.8449 -19.6381 -19.6381 -19.6374 -19.6374 -19.0447 -19.0447 -19.0363 -19.0363 -18.8576 -18.8576 -18.8499 -18.8499 10.1611 10.1611 10.1646 10.1646 10.6826 10.6826 10.6892 10.6892 11.4449 11.4449 11.4904 11.4904 11.7167 11.7167 11.7822 11.7822 12.3281 12.3281 12.3378 12.3378 13.3977 13.3977 13.4120 13.4120 13.6698 13.6698 13.6702 13.6702 14.4474 14.4474 14.4520 14.4520 15.1486 15.1486 15.1539 15.1539 k = 0.5000 0.7371 0.1102 ( 4482 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6380 -19.6380 -19.6373 -19.6373 -19.0439 -19.0439 -19.0355 -19.0355 -18.8587 -18.8587 -18.8510 -18.8510 10.1786 10.1786 10.1818 10.1818 10.7030 10.7030 10.7102 10.7102 11.4453 11.4453 11.4914 11.4914 11.7246 11.7246 11.7920 11.7920 12.2928 12.2928 12.3021 12.3021 13.3846 13.3846 13.4003 13.4003 13.6511 13.6511 13.6512 13.6512 14.4027 14.4027 14.4064 14.4064 15.1491 15.1491 15.1544 15.1544 k = 0.5000 0.7353 0.0973 ( 4482 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6380 -19.6380 -19.6372 -19.6372 -19.0430 -19.0430 -19.0347 -19.0347 -18.8598 -18.8598 -18.8521 -18.8521 10.1969 10.1969 10.1999 10.1999 10.7226 10.7226 10.7304 10.7304 11.4459 11.4459 11.4925 11.4925 11.7318 11.7318 11.8012 11.8012 12.2585 12.2585 12.2673 12.2673 13.3697 13.3697 13.3867 13.3867 13.6356 13.6356 13.6358 13.6358 14.3576 14.3576 14.3602 14.3602 15.1487 15.1487 15.1540 15.1540 k = 0.5000 0.7335 0.0843 ( 4482 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6379 -19.6379 -19.6372 -19.6372 -19.0421 -19.0421 -19.0340 -19.0340 -18.8608 -18.8608 -18.8533 -18.8533 10.2160 10.2160 10.2187 10.2187 10.7413 10.7413 10.7496 10.7496 11.4469 11.4469 11.4938 11.4938 11.7383 11.7383 11.8094 11.8094 12.2259 12.2259 12.2338 12.2338 13.3531 13.3531 13.3714 13.3714 13.6232 13.6232 13.6236 13.6236 14.3123 14.3123 14.3140 14.3140 15.1478 15.1478 15.1530 15.1530 k = 0.5000 0.7317 0.0714 ( 4478 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6378 -19.6378 -19.6371 -19.6371 -19.0412 -19.0412 -19.0333 -19.0333 -18.8618 -18.8618 -18.8545 -18.8545 10.2357 10.2357 10.2381 10.2381 10.7586 10.7586 10.7675 10.7675 11.4484 11.4484 11.4953 11.4953 11.7438 11.7438 11.8164 11.8164 12.1954 12.1954 12.2023 12.2023 13.3354 13.3354 13.3549 13.3549 13.6137 13.6137 13.6141 13.6141 14.2675 14.2675 14.2682 14.2682 15.1466 15.1466 15.1515 15.1515 k = 0.5000 0.7300 0.0584 ( 4482 PWs) bands (ev): -42.8448 -42.8448 -42.8448 -42.8448 -19.6377 -19.6377 -19.6370 -19.6370 -19.0403 -19.0403 -19.0326 -19.0326 -18.8628 -18.8628 -18.8557 -18.8557 10.2561 10.2561 10.2581 10.2581 10.7744 10.7744 10.7837 10.7837 11.4504 11.4504 11.4970 11.4970 11.7481 11.7481 11.8217 11.8217 12.1674 12.1674 12.1732 12.1732 13.3171 13.3171 13.3375 13.3375 13.6065 13.6065 13.6071 13.6071 14.2232 14.2232 14.2236 14.2236 15.1451 15.1451 15.1498 15.1498 k = 0.5000 0.7282 0.0455 ( 4478 PWs) bands (ev): -42.8448 -42.8448 -42.8447 -42.8447 -19.6376 -19.6376 -19.6370 -19.6370 -19.0394 -19.0394 -19.0320 -19.0320 -18.8636 -18.8636 -18.8569 -18.8569 10.2768 10.2768 10.2784 10.2784 10.7882 10.7882 10.7979 10.7979 11.4529 11.4529 11.4990 11.4990 11.7511 11.7511 11.8250 11.8250 12.1425 12.1425 12.1472 12.1472 13.2986 13.2986 13.3197 13.3197 13.6013 13.6013 13.6020 13.6020 14.1797 14.1797 14.1809 14.1809 15.1435 15.1435 15.1479 15.1479 k = 0.5000 0.7264 0.0326 ( 4480 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6375 -19.6375 -19.6369 -19.6369 -19.0384 -19.0384 -19.0315 -19.0315 -18.8644 -18.8644 -18.8580 -18.8580 10.2977 10.2977 10.2990 10.2990 10.8000 10.8000 10.8100 10.8100 11.4562 11.4562 11.5012 11.5012 11.7525 11.7525 11.8259 11.8259 12.1210 12.1210 12.1247 12.1247 13.2804 13.2804 13.3019 13.3019 13.5978 13.5978 13.5986 13.5986 14.1379 14.1379 14.1400 14.1400 15.1418 15.1418 15.1459 15.1459 k = 0.5000 0.7247 0.0196 ( 4490 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6374 -19.6374 -19.6368 -19.6368 -19.0375 -19.0375 -19.0310 -19.0310 -18.8651 -18.8651 -18.8592 -18.8592 10.3186 10.3186 10.3195 10.3195 10.8096 10.8096 10.8196 10.8196 11.4601 11.4601 11.5038 11.5038 11.7526 11.7526 11.8242 11.8242 12.1030 12.1030 12.1061 12.1061 13.2629 13.2629 13.2843 13.2843 13.5956 13.5956 13.5965 13.5965 14.0985 14.0985 14.1013 14.1013 15.1402 15.1402 15.1440 15.1440 k = 0.5000 0.7229 0.0067 ( 4488 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6373 -19.6373 -19.6368 -19.6368 -19.0366 -19.0366 -19.0306 -19.0306 -18.8657 -18.8657 -18.8603 -18.8603 10.3392 10.3392 10.3396 10.3396 10.8169 10.8169 10.8268 10.8268 11.4648 11.4648 11.5065 11.5065 11.7513 11.7513 11.8199 11.8199 12.0886 12.0886 12.0915 12.0915 13.2465 13.2465 13.2674 13.2674 13.5944 13.5944 13.5955 13.5955 14.0617 14.0617 14.0650 14.0650 15.1386 15.1386 15.1420 15.1420 k = 0.5000 0.7211-0.0063 ( 4486 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6372 -19.6372 -19.6368 -19.6368 -19.0357 -19.0357 -19.0303 -19.0303 -18.8662 -18.8662 -18.8613 -18.8613 10.3590 10.3590 10.3592 10.3592 10.8219 10.8219 10.8316 10.8316 11.4701 11.4701 11.5094 11.5094 11.7490 11.7490 11.8131 11.8131 12.0777 12.0777 12.0805 12.0805 13.2315 13.2315 13.2513 13.2513 13.5941 13.5941 13.5953 13.5953 14.0280 14.0280 14.0317 14.0317 15.1372 15.1372 15.1402 15.1402 k = 0.5000 0.7194-0.0192 ( 4494 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6371 -19.6371 -19.6367 -19.6367 -19.0348 -19.0348 -19.0301 -19.0301 -18.8666 -18.8666 -18.8623 -18.8623 10.3777 10.3777 10.3779 10.3779 10.8250 10.8250 10.8341 10.8341 11.4761 11.4761 11.5121 11.5121 11.7462 11.7462 11.8043 11.8043 12.0698 12.0698 12.0728 12.0728 13.2181 13.2181 13.2365 13.2365 13.5945 13.5945 13.5957 13.5957 13.9979 13.9979 14.0017 14.0017 15.1359 15.1359 15.1385 15.1385 k = 0.5000 0.7176-0.0321 ( 4494 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6371 -19.6371 -19.6367 -19.6367 -19.0340 -19.0340 -19.0300 -19.0300 -18.8669 -18.8669 -18.8632 -18.8632 10.3948 10.3948 10.3951 10.3951 10.8265 10.8265 10.8347 10.8347 11.4825 11.4825 11.5146 11.5146 11.7435 11.7435 11.7944 11.7944 12.0645 12.0645 12.0676 12.0676 13.2067 13.2067 13.2230 13.2230 13.5954 13.5954 13.5966 13.5966 13.9716 13.9716 13.9753 13.9753 15.1348 15.1348 15.1370 15.1370 k = 0.5000 0.7158-0.0451 ( 4498 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6370 -19.6370 -19.6367 -19.6367 -19.0333 -19.0333 -19.0300 -19.0300 -18.8671 -18.8671 -18.8641 -18.8641 10.4098 10.4098 10.4104 10.4104 10.8268 10.8268 10.8338 10.8338 11.4891 11.4891 11.5163 11.5163 11.7414 11.7414 11.7839 11.7839 12.0612 12.0612 12.0642 12.0642 13.1974 13.1974 13.2112 13.2112 13.5966 13.5966 13.5977 13.5977 13.9495 13.9495 13.9529 13.9529 15.1339 15.1339 15.1357 15.1357 k = 0.5000 0.7141-0.0580 ( 4498 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6369 -19.6369 -19.6367 -19.6367 -19.0326 -19.0326 -19.0301 -19.0301 -18.8671 -18.8671 -18.8648 -18.8648 10.4224 10.4224 10.4229 10.4229 10.8264 10.8264 10.8320 10.8320 11.4957 11.4957 11.5172 11.5172 11.7405 11.7405 11.7735 11.7735 12.0594 12.0594 12.0621 12.0621 13.1905 13.1905 13.2013 13.2013 13.5979 13.5979 13.5988 13.5988 13.9321 13.9321 13.9349 13.9349 15.1333 15.1333 15.1346 15.1346 k = 0.5000 0.7123-0.0710 ( 4500 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6369 -19.6369 -19.6367 -19.6367 -19.0319 -19.0319 -19.0303 -19.0303 -18.8670 -18.8670 -18.8655 -18.8655 10.4320 10.4320 10.4324 10.4324 10.8259 10.8259 10.8298 10.8298 11.5019 11.5019 11.5167 11.5167 11.7413 11.7413 11.7639 11.7639 12.0587 12.0587 12.0607 12.0607 13.1861 13.1861 13.1934 13.1934 13.5990 13.5990 13.5997 13.5997 13.9195 13.9195 13.9215 13.9215 15.1329 15.1329 15.1338 15.1338 k = 0.5000 0.7105-0.0839 ( 4498 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6368 -19.6368 -19.6367 -19.6367 -19.0314 -19.0314 -19.0305 -19.0305 -18.8668 -18.8668 -18.8660 -18.8660 10.4380 10.4380 10.4382 10.4382 10.8258 10.8258 10.8278 10.8278 11.5073 11.5073 11.5150 11.5150 11.7440 11.7440 11.7555 11.7555 12.0587 12.0587 12.0598 12.0598 13.1841 13.1841 13.1879 13.1879 13.5999 13.5999 13.6003 13.6003 13.9121 13.9121 13.9131 13.9131 15.1327 15.1327 15.1332 15.1332 k = 0.5000 0.7088-0.0968 ( 4492 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6368 -19.6368 -19.6368 -19.6368 -19.0309 -19.0309 -19.0309 -19.0309 -18.8665 -18.8665 -18.8665 -18.8665 10.4401 10.4401 10.4401 10.4401 10.8265 10.8265 10.8265 10.8265 11.5118 11.5118 11.5118 11.5118 11.7488 11.7488 11.7488 11.7488 12.0591 12.0591 12.0591 12.0591 13.1847 13.1847 13.1847 13.1847 13.6003 13.6003 13.6003 13.6003 13.9100 13.9100 13.9100 13.9100 15.1328 15.1328 15.1328 15.1328 k = 0.5000 0.7088-0.0968 ( 4492 PWs) bands (ev): -42.8447 -42.8447 -42.8447 -42.8447 -19.6368 -19.6368 -19.6368 -19.6368 -19.0309 -19.0309 -19.0309 -19.0309 -18.8665 -18.8665 -18.8665 -18.8665 10.4401 10.4401 10.4401 10.4401 10.8265 10.8265 10.8265 10.8265 11.5118 11.5118 11.5118 11.5118 11.7488 11.7488 11.7488 11.7488 12.0591 12.0591 12.0591 12.0591 13.1847 13.1847 13.1847 13.1847 13.6003 13.6003 13.6003 13.6003 13.9100 13.9100 13.9100 13.9100 15.1328 15.1328 15.1328 15.1328 k = 0.4872 0.7088-0.0968 ( 4496 PWs) bands (ev): -42.8454 -42.8454 -42.8439 -42.8439 -19.6378 -19.6378 -19.6358 -19.6358 -19.0319 -19.0319 -19.0299 -19.0299 -18.8694 -18.8694 -18.8635 -18.8635 10.4132 10.4132 10.4671 10.4671 10.8172 10.8172 10.8369 10.8369 11.4998 11.4998 11.5225 11.5225 11.7293 11.7293 11.7691 11.7691 12.0374 12.0374 12.0817 12.0817 13.1724 13.1724 13.1950 13.1950 13.5889 13.5889 13.6103 13.6103 13.8606 13.8606 13.9584 13.9584 15.0892 15.0892 15.1788 15.1788 k = 0.4744 0.7088-0.0968 ( 4496 PWs) bands (ev): -42.8462 -42.8462 -42.8432 -42.8432 -19.6388 -19.6388 -19.6348 -19.6348 -19.0329 -19.0329 -19.0289 -19.0289 -18.8724 -18.8724 -18.8606 -18.8606 10.3866 10.3866 10.4939 10.4939 10.8090 10.8090 10.8487 10.8487 11.4865 11.4865 11.5320 11.5320 11.7109 11.7109 11.7896 11.7896 12.0166 12.0166 12.1051 12.1051 13.1579 13.1579 13.2031 13.2031 13.5761 13.5761 13.6189 13.6189 13.8104 13.8104 14.0060 14.0060 15.0479 15.0479 15.2268 15.2268 k = 0.4615 0.7088-0.0968 ( 4500 PWs) bands (ev): -42.8469 -42.8469 -42.8424 -42.8424 -19.6398 -19.6398 -19.6338 -19.6338 -19.0338 -19.0338 -19.0278 -19.0278 -18.8754 -18.8754 -18.8576 -18.8576 10.3605 10.3605 10.5203 10.5203 10.8017 10.8017 10.8619 10.8619 11.4719 11.4719 11.5404 11.5404 11.6940 11.6940 11.8097 11.8097 11.9971 11.9971 12.1292 12.1292 13.1411 13.1411 13.2091 13.2091 13.5621 13.5621 13.6260 13.6260 13.7593 13.7593 14.0528 14.0528 15.0093 15.0093 15.2765 15.2765 k = 0.4487 0.7088-0.0968 ( 4502 PWs) bands (ev): -42.8477 -42.8477 -42.8417 -42.8417 -19.6409 -19.6409 -19.6328 -19.6328 -19.0348 -19.0348 -19.0267 -19.0267 -18.8783 -18.8783 -18.8547 -18.8547 10.3351 10.3351 10.5460 10.5460 10.7955 10.7955 10.8767 10.8767 11.4562 11.4562 11.5477 11.5477 11.6787 11.6787 11.8285 11.8285 11.9795 11.9795 12.1542 12.1542 13.1221 13.1221 13.2130 13.2130 13.5472 13.5472 13.6317 13.6317 13.7074 13.7074 14.0987 14.0987 14.9733 14.9733 15.3277 15.3277 k = 0.4359 0.7088-0.0968 ( 4498 PWs) bands (ev): -42.8484 -42.8484 -42.8409 -42.8409 -19.6419 -19.6419 -19.6319 -19.6319 -19.0357 -19.0357 -19.0256 -19.0256 -18.8813 -18.8813 -18.8518 -18.8518 10.3104 10.3104 10.5707 10.5707 10.7901 10.7901 10.8931 10.8931 11.4393 11.4393 11.5539 11.5539 11.6653 11.6653 11.8445 11.8445 11.9650 11.9650 12.1799 12.1799 13.1008 13.1008 13.2149 13.2149 13.5317 13.5317 13.6353 13.6353 13.6558 13.6558 14.1439 14.1439 14.9398 14.9398 15.3800 15.3800 k = 0.4231 0.7088-0.0968 ( 4504 PWs) bands (ev): -42.8492 -42.8492 -42.8402 -42.8402 -19.6429 -19.6429 -19.6309 -19.6309 -19.0366 -19.0366 -19.0245 -19.0245 -18.8842 -18.8842 -18.8489 -18.8489 10.2866 10.2866 10.5940 10.5940 10.7855 10.7855 10.9113 10.9113 11.4214 11.4214 11.5592 11.5592 11.6538 11.6538 11.8550 11.8550 11.9558 11.9558 12.2065 12.2065 13.0771 13.0771 13.2148 13.2148 13.5157 13.5157 13.5998 13.5998 13.6418 13.6418 14.1884 14.1884 14.9089 14.9089 15.4330 15.4330 k = 0.4103 0.7088-0.0968 ( 4494 PWs) bands (ev): -42.8499 -42.8499 -42.8395 -42.8395 -19.6439 -19.6439 -19.6300 -19.6300 -19.0375 -19.0375 -19.0234 -19.0234 -18.8871 -18.8871 -18.8461 -18.8461 10.2637 10.2637 10.6159 10.6159 10.7818 10.7818 10.9310 10.9310 11.4029 11.4029 11.5634 11.5634 11.6444 11.6444 11.8574 11.8574 11.9545 11.9545 12.2338 12.2338 13.0513 13.0513 13.2126 13.2126 13.4993 13.4993 13.5464 13.5464 13.6450 13.6450 14.2321 14.2321 14.8804 14.8804 15.4863 15.4863 k = 0.3974 0.7088-0.0968 ( 4494 PWs) bands (ev): -42.8506 -42.8506 -42.8387 -42.8387 -19.6450 -19.6450 -19.6291 -19.6291 -19.0383 -19.0383 -19.0223 -19.0223 -18.8900 -18.8900 -18.8433 -18.8433 10.2418 10.2418 10.6361 10.6361 10.7788 10.7788 10.9524 10.9524 11.3838 11.3838 11.5668 11.5668 11.6371 11.6371 11.8516 11.8516 11.9608 11.9608 12.2621 12.2621 13.0232 13.0232 13.2084 13.2084 13.4807 13.4807 13.4947 13.4947 13.6483 13.6483 14.2752 14.2752 14.8541 14.8541 15.5395 15.5395 k = 0.3846 0.7088-0.0968 ( 4492 PWs) bands (ev): -42.8513 -42.8513 -42.8380 -42.8380 -19.6460 -19.6460 -19.6283 -19.6283 -19.0391 -19.0391 -19.0211 -19.0211 -18.8929 -18.8929 -18.8405 -18.8405 10.2211 10.2211 10.6546 10.6546 10.7767 10.7767 10.9749 10.9749 11.3645 11.3645 11.5693 11.5693 11.6317 11.6317 11.8406 11.8406 11.9717 11.9717 12.2911 12.2911 12.9931 12.9931 13.2021 13.2021 13.4358 13.4358 13.4697 13.4697 13.6517 13.6517 14.3176 14.3176 14.8298 14.8298 15.5921 15.5921 k = 0.3718 0.7088-0.0968 ( 4490 PWs) bands (ev): -42.8520 -42.8520 -42.8373 -42.8373 -19.6470 -19.6470 -19.6274 -19.6274 -19.0399 -19.0399 -19.0200 -19.0200 -18.8958 -18.8958 -18.8377 -18.8377 10.2014 10.2014 10.6713 10.6713 10.7753 10.7753 10.9984 10.9984 11.3451 11.3451 11.5710 11.5710 11.6284 11.6284 11.8273 11.8273 11.9842 11.9842 12.3209 12.3209 12.9612 12.9612 13.1933 13.1933 13.3830 13.3830 13.4537 13.4537 13.6554 13.6554 14.3593 14.3593 14.8073 14.8073 15.6438 15.6438 k = 0.3590 0.7088-0.0968 ( 4490 PWs) bands (ev): -42.8527 -42.8527 -42.8367 -42.8367 -19.6480 -19.6480 -19.6266 -19.6266 -19.0407 -19.0407 -19.0188 -19.0188 -18.8986 -18.8986 -18.8351 -18.8351 10.1828 10.1828 10.6862 10.6862 10.7747 10.7747 11.0222 11.0222 11.3259 11.3259 11.5720 11.5720 11.6268 11.6268 11.8135 11.8135 11.9965 11.9965 12.3513 12.3513 12.9277 12.9277 13.1810 13.1810 13.3324 13.3324 13.4386 13.4386 13.6595 13.6595 14.4002 14.4002 14.7864 14.7864 15.6940 15.6940 k = 0.3462 0.7088-0.0968 ( 4478 PWs) bands (ev): -42.8534 -42.8534 -42.8360 -42.8360 -19.6489 -19.6489 -19.6258 -19.6258 -19.0415 -19.0415 -19.0176 -19.0176 -18.9014 -18.9014 -18.8324 -18.8324 10.1654 10.1654 10.6996 10.6996 10.7749 10.7749 11.0459 11.0459 11.3072 11.3072 11.5724 11.5724 11.6267 11.6267 11.8005 11.8005 12.0079 12.0079 12.3822 12.3822 12.8928 12.8928 13.1627 13.1627 13.2872 13.2872 13.4240 13.4240 13.6643 13.6643 14.4405 14.4405 14.7669 14.7669 15.7423 15.7423 k = 0.3333 0.7088-0.0968 ( 4476 PWs) bands (ev): -42.8541 -42.8541 -42.8353 -42.8353 -19.6499 -19.6499 -19.6250 -19.6250 -19.0422 -19.0422 -19.0164 -19.0164 -18.9041 -18.9041 -18.8298 -18.8298 10.1491 10.1491 10.7115 10.7115 10.7758 10.7758 11.0687 11.0687 11.2891 11.2891 11.5722 11.5722 11.6277 11.6277 11.7894 11.7894 12.0177 12.0177 12.4134 12.4134 12.8568 12.8568 13.1346 13.1346 13.2520 13.2520 13.4098 13.4098 13.6696 13.6696 14.4801 14.4801 14.7486 14.7486 15.7881 15.7881 k = 0.3205 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8547 -42.8547 -42.8347 -42.8347 -19.6508 -19.6508 -19.6243 -19.6243 -19.0429 -19.0429 -19.0152 -19.0152 -18.9069 -18.9069 -18.8273 -18.8273 10.1340 10.1340 10.7220 10.7220 10.7775 10.7775 11.0901 11.0901 11.2719 11.2719 11.5712 11.5712 11.6290 11.6290 11.7814 11.7814 12.0257 12.0257 12.4448 12.4448 12.8202 12.8202 13.0951 13.0951 13.2289 13.2289 13.3959 13.3959 13.6756 13.6756 14.5189 14.5189 14.7313 14.7313 15.8310 15.8310 k = 0.3077 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8553 -42.8553 -42.8341 -42.8341 -19.6518 -19.6518 -19.6235 -19.6235 -19.0436 -19.0436 -19.0139 -19.0139 -18.9095 -18.9095 -18.8248 -18.8248 10.1200 10.1200 10.7313 10.7313 10.7800 10.7800 11.1093 11.1093 11.2559 11.2559 11.5695 11.5695 11.6296 11.6296 11.7782 11.7782 12.0317 12.0317 12.4760 12.4760 12.7832 12.7832 13.0476 13.0476 13.2153 13.2153 13.3822 13.3822 13.6823 13.6823 14.5568 14.5568 14.7149 14.7149 15.8706 15.8706 k = 0.2949 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8560 -42.8560 -42.8334 -42.8334 -19.6527 -19.6527 -19.6229 -19.6229 -19.0443 -19.0443 -19.0127 -19.0127 -18.9122 -18.9122 -18.8224 -18.8224 10.1071 10.1071 10.7394 10.7394 10.7833 10.7833 11.1257 11.1257 11.2414 11.2414 11.5666 11.5666 11.6283 11.6283 11.7812 11.7812 12.0357 12.0357 12.5067 12.5067 12.7462 12.7462 12.9961 12.9961 13.2078 13.2078 13.3688 13.3688 13.6897 13.6897 14.5939 14.5939 14.6994 14.6994 15.9064 15.9064 k = 0.2821 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8566 -42.8566 -42.8329 -42.8329 -19.6536 -19.6536 -19.6222 -19.6222 -19.0449 -19.0449 -19.0115 -19.0115 -18.9148 -18.9148 -18.8201 -18.8201 10.0953 10.0953 10.7464 10.7464 10.7873 10.7873 11.1387 11.1387 11.2291 11.2291 11.5626 11.5626 11.6244 11.6244 11.7915 11.7915 12.0375 12.0375 12.5363 12.5363 12.7098 12.7098 12.9431 12.9431 13.2043 13.2043 13.3553 13.3553 13.6977 13.6977 14.6296 14.6296 14.6849 14.6849 15.9382 15.9382 k = 0.2692 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8571 -42.8571 -42.8323 -42.8323 -19.6544 -19.6544 -19.6216 -19.6216 -19.0455 -19.0455 -19.0102 -19.0102 -18.9173 -18.9173 -18.8179 -18.8179 10.0845 10.0845 10.7524 10.7524 10.7922 10.7922 11.1473 11.1473 11.2199 11.2199 11.5572 11.5572 11.6180 11.6180 11.8088 11.8088 12.0374 12.0374 12.5634 12.5634 12.6752 12.6752 12.8899 12.8899 13.2042 13.2042 13.3419 13.3419 13.7063 13.7063 14.6590 14.6590 14.6763 14.6763 15.9658 15.9658 k = 0.2564 0.7088-0.0968 ( 4470 PWs) bands (ev): -42.8577 -42.8577 -42.8317 -42.8317 -19.6552 -19.6552 -19.6209 -19.6209 -19.0461 -19.0461 -19.0090 -19.0090 -18.9198 -18.9198 -18.8157 -18.8157 10.0748 10.0748 10.7574 10.7574 10.7979 10.7979 11.1508 11.1508 11.2146 11.2146 11.5503 11.5503 11.6098 11.6098 11.8323 11.8323 12.0356 12.0356 12.5833 12.5833 12.6472 12.6472 12.8375 12.8375 13.2072 13.2072 13.3283 13.3283 13.7155 13.7155 14.6532 14.6532 14.7025 14.7025 15.9892 15.9892 k = 0.2436 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8582 -42.8582 -42.8312 -42.8312 -19.6560 -19.6560 -19.6204 -19.6204 -19.0467 -19.0467 -19.0077 -19.0077 -18.9223 -18.9223 -18.8136 -18.8136 10.0660 10.0660 10.7613 10.7613 10.8045 10.8045 11.1496 11.1496 11.2131 11.2131 11.5418 11.5418 11.6005 11.6005 11.8609 11.8609 12.0321 12.0321 12.5787 12.5787 12.6420 12.6420 12.7872 12.7872 13.2129 13.2129 13.3145 13.3145 13.7253 13.7253 14.6401 14.6401 14.7351 14.7351 16.0088 16.0088 k = 0.2308 0.7088-0.0968 ( 4470 PWs) bands (ev): -42.8587 -42.8587 -42.8307 -42.8307 -19.6568 -19.6568 -19.6198 -19.6198 -19.0472 -19.0472 -19.0065 -19.0065 -18.9246 -18.9246 -18.8116 -18.8116 10.0582 10.0582 10.7642 10.7642 10.8120 10.8120 11.1451 11.1451 11.2140 11.2140 11.5320 11.5320 11.5906 11.5906 11.8936 11.8936 12.0274 12.0274 12.5522 12.5522 12.6535 12.6535 12.7428 12.7428 13.2213 13.2213 13.3004 13.3004 13.7356 13.7356 14.6270 14.6270 14.7672 14.7672 16.0245 16.0245 k = 0.2179 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8592 -42.8592 -42.8302 -42.8302 -19.6575 -19.6575 -19.6193 -19.6193 -19.0477 -19.0477 -19.0052 -19.0052 -18.9270 -18.9270 -18.8096 -18.8096 10.0512 10.0512 10.7662 10.7662 10.8205 10.8205 11.1394 11.1394 11.2160 11.2160 11.5209 11.5209 11.5802 11.5802 11.9293 11.9293 12.0218 12.0218 12.5213 12.5213 12.6487 12.6487 12.7204 12.7204 13.2321 13.2321 13.2860 13.2860 13.7464 13.7464 14.6141 14.6141 14.7982 14.7982 16.0342 16.0342 k = 0.2051 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8597 -42.8597 -42.8297 -42.8297 -19.6582 -19.6582 -19.6188 -19.6188 -19.0482 -19.0482 -19.0039 -19.0039 -18.9292 -18.9292 -18.8078 -18.8078 10.0450 10.0450 10.7672 10.7672 10.8298 10.8298 11.1334 11.1334 11.2181 11.2181 11.5089 11.5089 11.5694 11.5694 11.9668 11.9668 12.0158 12.0158 12.4905 12.4905 12.6141 12.6141 12.7292 12.7292 13.2448 13.2448 13.2716 13.2716 13.7577 13.7577 14.6015 14.6015 14.8279 14.8279 15.9903 15.9903 k = 0.1923 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8601 -42.8601 -42.8293 -42.8293 -19.6589 -19.6589 -19.6184 -19.6184 -19.0487 -19.0487 -19.0027 -19.0027 -18.9314 -18.9314 -18.8061 -18.8061 10.0397 10.0397 10.7673 10.7673 10.8401 10.8401 11.1278 11.1278 11.2200 11.2200 11.4962 11.4962 11.5581 11.5581 12.0012 12.0012 12.0142 12.0142 12.4611 12.4611 12.5705 12.5705 12.7475 12.7475 13.2522 13.2522 13.2637 13.2637 13.7696 13.7696 14.5893 14.5893 14.8564 14.8564 15.9338 15.9338 k = 0.1795 0.7088-0.0968 ( 4478 PWs) bands (ev): -42.8606 -42.8606 -42.8289 -42.8289 -19.6595 -19.6595 -19.6179 -19.6179 -19.0491 -19.0491 -19.0015 -19.0015 -18.9335 -18.9335 -18.8044 -18.8044 10.0350 10.0350 10.7667 10.7667 10.8511 10.8511 11.1230 11.1230 11.2214 11.2214 11.4832 11.4832 11.5460 11.5460 12.0011 12.0011 12.0476 12.0476 12.4338 12.4338 12.5261 12.5261 12.7671 12.7671 13.2384 13.2384 13.2782 13.2782 13.7819 13.7819 14.5774 14.5774 14.8834 14.8834 15.8785 15.8785 k = 0.1667 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8610 -42.8610 -42.8285 -42.8285 -19.6601 -19.6601 -19.6176 -19.6176 -19.0495 -19.0495 -19.0003 -19.0003 -18.9356 -18.9356 -18.8029 -18.8029 10.0310 10.0310 10.7655 10.7655 10.8630 10.8630 11.1191 11.1191 11.2225 11.2225 11.4699 11.4699 11.5332 11.5332 11.9957 11.9957 12.0862 12.0862 12.4092 12.4092 12.4828 12.4828 12.7862 12.7862 13.2220 13.2220 13.2957 13.2957 13.7946 13.7946 14.5660 14.5660 14.9088 14.9088 15.8248 15.8249 k = 0.1538 0.7088-0.0968 ( 4474 PWs) bands (ev): -42.8613 -42.8613 -42.8281 -42.8281 -19.6607 -19.6607 -19.6172 -19.6172 -19.0498 -19.0498 -18.9991 -18.9991 -18.9375 -18.9375 -18.8015 -18.8015 10.0277 10.0277 10.7637 10.7637 10.8756 10.8756 11.1160 11.1160 11.2233 11.2233 11.4567 11.4567 11.5196 11.5196 11.9908 11.9908 12.1229 12.1229 12.3880 12.3880 12.4417 12.4417 12.8042 12.8042 13.2048 13.2048 13.3141 13.3141 13.8077 13.8077 14.5550 14.5550 14.9327 14.9327 15.7732 15.7732 k = 0.1410 0.7088-0.0968 ( 4470 PWs) bands (ev): -42.8617 -42.8617 -42.8278 -42.8278 -19.6612 -19.6612 -19.6169 -19.6169 -19.0502 -19.0502 -18.9979 -18.9979 -18.9394 -18.9394 -18.8001 -18.8001 10.0248 10.0248 10.7615 10.7615 10.8888 10.8888 11.1137 11.1137 11.2239 11.2239 11.4434 11.4434 11.5053 11.5053 11.9871 11.9871 12.1552 12.1552 12.3699 12.3699 12.4051 12.4051 12.8209 12.8209 13.1869 13.1869 13.3328 13.3328 13.8212 13.8212 14.5444 14.5444 14.9549 14.9549 15.7238 15.7238 k = 0.1282 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8620 -42.8620 -42.8275 -42.8275 -19.6617 -19.6617 -19.6166 -19.6166 -19.0505 -19.0505 -18.9968 -18.9968 -18.9412 -18.9412 -18.7989 -18.7989 10.0224 10.0224 10.7590 10.7590 10.9025 10.9025 11.1122 11.1122 11.2243 11.2243 11.4303 11.4303 11.4905 11.4905 11.9849 11.9849 12.1802 12.1802 12.3479 12.3479 12.3832 12.3832 12.8362 12.8362 13.1685 13.1685 13.3513 13.3513 13.8349 13.8349 14.5344 14.5344 14.9753 14.9753 15.6770 15.6770 k = 0.1154 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8623 -42.8623 -42.8272 -42.8272 -19.6621 -19.6621 -19.6163 -19.6163 -19.0508 -19.0508 -18.9957 -18.9957 -18.9428 -18.9428 -18.7978 -18.7978 10.0205 10.0205 10.7563 10.7563 10.9166 10.9166 11.1113 11.1113 11.2247 11.2247 11.4172 11.4172 11.4756 11.4756 11.9842 11.9842 12.1947 12.1947 12.3166 12.3166 12.3840 12.3840 12.8502 12.8502 13.1497 13.1497 13.3693 13.3693 13.8486 13.8486 14.5250 14.5250 14.9939 14.9939 15.6330 15.6330 k = 0.1026 0.7088-0.0968 ( 4466 PWs) bands (ev): -42.8625 -42.8625 -42.8270 -42.8270 -19.6625 -19.6625 -19.6160 -19.6160 -19.0510 -19.0510 -18.9947 -18.9947 -18.9444 -18.9444 -18.7968 -18.7968 10.0189 10.0189 10.7536 10.7536 10.9309 10.9309 11.1111 11.1111 11.2250 11.2250 11.4041 11.4041 11.4610 11.4610 11.9853 11.9853 12.1984 12.1984 12.2838 12.2838 12.3996 12.3996 12.8627 12.8627 13.1305 13.1305 13.3862 13.3862 13.8623 13.8623 14.5163 14.5163 15.0107 15.0107 15.5922 15.5922 k = 0.0897 0.7088-0.0968 ( 4464 PWs) bands (ev): -42.8627 -42.8627 -42.8267 -42.8267 -19.6628 -19.6628 -19.6158 -19.6158 -19.0513 -19.0513 -18.9938 -18.9938 -18.9458 -18.9458 -18.7959 -18.7959 10.0177 10.0177 10.7509 10.7509 10.9451 10.9451 11.1113 11.1113 11.2254 11.2254 11.3909 11.3909 11.4472 11.4472 11.9883 11.9883 12.1941 12.1941 12.2530 12.2530 12.4235 12.4235 12.8737 12.8737 13.1112 13.1112 13.4019 13.4019 13.8755 13.8755 14.5083 14.5083 15.0255 15.0255 15.5550 15.5550 k = 0.0769 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8629 -42.8629 -42.8266 -42.8266 -19.6631 -19.6631 -19.6156 -19.6156 -19.0515 -19.0515 -18.9929 -18.9929 -18.9471 -18.9471 -18.7951 -18.7951 10.0167 10.0167 10.7483 10.7483 10.9590 10.9590 11.1118 11.1118 11.2258 11.2258 11.3776 11.3776 11.4347 11.4347 11.9933 11.9933 12.1842 12.1842 12.2258 12.2258 12.4510 12.4510 12.8834 12.8834 13.0922 13.0922 13.4159 13.4159 13.8881 13.8881 14.5011 14.5011 15.0384 15.0384 15.5216 15.5216 k = 0.0641 0.7088-0.0968 ( 4466 PWs) bands (ev): -42.8631 -42.8631 -42.8264 -42.8264 -19.6634 -19.6634 -19.6155 -19.6155 -19.0516 -19.0516 -18.9921 -18.9921 -18.9482 -18.9482 -18.7945 -18.7945 10.0159 10.0159 10.7460 10.7460 10.9721 10.9721 11.1127 11.1127 11.2263 11.2263 11.3644 11.3644 11.4240 11.4240 12.0002 12.0002 12.1689 12.1689 12.2048 12.2048 12.4790 12.4790 12.8916 12.8916 13.0740 13.0740 13.4281 13.4281 13.8996 13.8996 14.4948 14.4948 15.0494 15.0494 15.4926 15.4926 k = 0.0513 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8632 -42.8632 -42.8263 -42.8263 -19.6636 -19.6636 -19.6153 -19.6153 -19.0518 -19.0518 -18.9914 -18.9914 -18.9491 -18.9491 -18.7939 -18.7939 10.0154 10.0154 10.7440 10.7440 10.9840 10.9840 11.1136 11.1136 11.2269 11.2269 11.3518 11.3518 11.4152 11.4152 12.0091 12.0091 12.1488 12.1488 12.1908 12.1908 12.5050 12.5050 12.8984 12.8984 13.0572 13.0572 13.4382 13.4382 13.9098 13.9098 14.4895 14.4895 15.0584 15.0584 15.4682 15.4682 k = 0.0385 0.7088-0.0968 ( 4470 PWs) bands (ev): -42.8634 -42.8634 -42.8262 -42.8262 -19.6638 -19.6638 -19.6152 -19.6152 -19.0519 -19.0519 -18.9909 -18.9909 -18.9499 -18.9499 -18.7935 -18.7935 10.0150 10.0150 10.7424 10.7424 10.9941 10.9941 11.1146 11.1146 11.2276 11.2276 11.3406 11.3406 11.4084 11.4084 12.0200 12.0200 12.1268 12.1268 12.1817 12.1817 12.5274 12.5274 12.9037 12.9037 13.0426 13.0426 13.4463 13.4463 13.9181 13.9181 14.4852 14.4852 15.0653 15.0653 15.4488 15.4488 k = 0.0256 0.7088-0.0968 ( 4470 PWs) bands (ev): -42.8634 -42.8634 -42.8261 -42.8261 -19.6639 -19.6639 -19.6152 -19.6152 -19.0519 -19.0519 -18.9905 -18.9905 -18.9504 -18.9504 -18.7932 -18.7932 10.0147 10.0147 10.7412 10.7412 11.0018 11.0018 11.1155 11.1155 11.2283 11.2283 11.3315 11.3315 11.4036 11.4036 12.0327 12.0327 12.1054 12.1054 12.1758 12.1758 12.5447 12.5447 12.9076 12.9076 13.0311 13.0311 13.4521 13.4521 13.9244 13.9244 14.4821 14.4821 15.0703 15.0703 15.4348 15.4348 k = 0.0128 0.7088-0.0968 ( 4468 PWs) bands (ev): -42.8635 -42.8635 -42.8260 -42.8260 -19.6639 -19.6639 -19.6151 -19.6151 -19.0520 -19.0520 -18.9903 -18.9903 -18.9507 -18.9507 -18.7930 -18.7930 10.0145 10.0145 10.7405 10.7405 11.0067 11.0067 11.1161 11.1161 11.2288 11.2288 11.3256 11.3256 11.4007 11.4007 12.0468 12.0468 12.0859 12.0859 12.1723 12.1723 12.5557 12.5557 12.9099 12.9099 13.0237 13.0237 13.4556 13.4556 13.9283 13.9283 14.4802 14.4802 15.0733 15.0733 15.4262 15.4262 k = 0.0000 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8635 -42.8635 -42.8260 -42.8260 -19.6640 -19.6640 -19.6151 -19.6151 -19.0520 -19.0520 -18.9902 -18.9902 -18.9509 -18.9509 -18.7930 -18.7930 10.0145 10.0145 10.7403 10.7403 11.0084 11.0084 11.1163 11.1163 11.2290 11.2290 11.3235 11.3235 11.3998 11.3998 12.0573 12.0573 12.0735 12.0735 12.1712 12.1712 12.5594 12.5594 12.9107 12.9107 13.0211 13.0211 13.4567 13.4567 13.9296 13.9296 14.4796 14.4796 15.0743 15.0743 15.4234 15.4234 k = 0.0000 0.7088-0.0968 ( 4472 PWs) bands (ev): -42.8635 -42.8635 -42.8260 -42.8260 -19.6640 -19.6640 -19.6151 -19.6151 -19.0520 -19.0520 -18.9902 -18.9902 -18.9509 -18.9509 -18.7930 -18.7930 10.0145 10.0145 10.7403 10.7403 11.0084 11.0084 11.1163 11.1163 11.2290 11.2290 11.3235 11.3235 11.3998 11.3998 12.0573 12.0573 12.0735 12.0735 12.1712 12.1712 12.5594 12.5594 12.9107 12.9107 13.0211 13.0211 13.4567 13.4567 13.9296 13.9296 14.4796 14.4796 15.0743 15.0743 15.4234 15.4234 k = 0.0000 0.7105-0.0839 ( 4469 PWs) bands (ev): -42.8635 -42.8635 -42.8260 -42.8260 -19.6639 -19.6639 -19.6151 -19.6151 -19.0520 -19.0520 -18.9902 -18.9902 -18.9508 -18.9508 -18.7930 -18.7930 10.0145 10.0145 10.7403 10.7403 11.0082 11.0082 11.1151 11.1151 11.2273 11.2273 11.3250 11.3250 11.4000 11.4000 12.0544 12.0544 12.0756 12.0756 12.1714 12.1714 12.5611 12.5611 12.9099 12.9099 13.0216 13.0216 13.4567 13.4567 13.9294 13.9294 14.4808 14.4808 15.0780 15.0780 15.4230 15.4230 k = 0.0000 0.7123-0.0710 ( 4464 PWs) bands (ev): -42.8634 -42.8634 -42.8261 -42.8261 -19.6638 -19.6638 -19.6152 -19.6152 -19.0519 -19.0519 -18.9903 -18.9903 -18.9505 -18.9505 -18.7932 -18.7932 10.0146 10.0146 10.7404 10.7404 11.0077 11.0077 11.1117 11.1117 11.2224 11.2224 11.3292 11.3292 11.4006 11.4006 12.0475 12.0475 12.0804 12.0804 12.1721 12.1721 12.5661 12.5661 12.9074 12.9074 13.0232 13.0232 13.4568 13.4568 13.9288 13.9288 14.4843 14.4843 15.0889 15.0889 15.4221 15.4221 k = 0.0000 0.7141-0.0580 ( 4462 PWs) bands (ev): -42.8634 -42.8634 -42.8261 -42.8261 -19.6637 -19.6637 -19.6152 -19.6152 -19.0518 -19.0518 -18.9905 -18.9905 -18.9502 -18.9502 -18.7936 -18.7936 10.0147 10.0147 10.7405 10.7405 11.0068 11.0068 11.1061 11.1061 11.2151 11.2151 11.3353 11.3353 11.4018 11.4018 12.0378 12.0378 12.0868 12.0868 12.1731 12.1731 12.5743 12.5743 12.9031 12.9031 13.0260 13.0260 13.4570 13.4570 13.9278 13.9278 14.4901 14.4901 15.1069 15.1069 15.4205 15.4205 k = 0.0000 0.7158-0.0451 ( 4460 PWs) bands (ev): -42.8633 -42.8633 -42.8262 -42.8262 -19.6635 -19.6635 -19.6153 -19.6153 -19.0516 -19.0516 -18.9908 -18.9908 -18.9496 -18.9496 -18.7941 -18.7941 10.0149 10.0149 10.7407 10.7407 11.0054 11.0054 11.0984 11.0984 11.2061 11.2061 11.3426 11.3426 11.4035 11.4035 12.0259 12.0259 12.0945 12.0945 12.1743 12.1743 12.5854 12.5854 12.8968 12.8968 13.0303 13.0303 13.4574 13.4574 13.9265 13.9265 14.4982 14.4982 15.1318 15.1318 15.4182 15.4182 k = 0.0000 0.7176-0.0321 ( 4456 PWs) bands (ev): -42.8632 -42.8632 -42.8264 -42.8264 -19.6632 -19.6632 -19.6154 -19.6154 -19.0514 -19.0514 -18.9911 -18.9911 -18.9489 -18.9489 -18.7948 -18.7948 10.0151 10.0151 10.7409 10.7409 11.0037 11.0037 11.0887 11.0887 11.1960 11.1960 11.3504 11.3504 11.4060 11.4060 12.0120 12.0120 12.1035 12.1035 12.1757 12.1757 12.5990 12.5990 12.8883 12.8883 13.0361 13.0361 13.4584 13.4584 13.9250 13.9250 14.5085 14.5085 15.1631 15.1631 15.4154 15.4154 k = 0.0000 0.7194-0.0192 ( 4451 PWs) bands (ev): -42.8631 -42.8631 -42.8265 -42.8265 -19.6629 -19.6629 -19.6155 -19.6155 -19.0512 -19.0512 -18.9915 -18.9915 -18.9481 -18.9481 -18.7956 -18.7956 10.0154 10.0154 10.7411 10.7411 11.0014 11.0014 11.0772 11.0772 11.1852 11.1852 11.3581 11.3581 11.4094 11.4094 11.9965 11.9965 12.1137 12.1137 12.1774 12.1774 12.6149 12.6149 12.8777 12.8777 13.0435 13.0435 13.4599 13.4599 13.9234 13.9234 14.5209 14.5209 15.2005 15.2005 15.4121 15.4121 k = 0.0000 0.7211-0.0063 ( 4447 PWs) bands (ev): -42.8629 -42.8629 -42.8267 -42.8267 -19.6625 -19.6625 -19.6156 -19.6156 -19.0509 -19.0509 -18.9919 -18.9919 -18.9471 -18.9471 -18.7965 -18.7965 10.0158 10.0158 10.7414 10.7414 10.9984 10.9984 11.0642 11.0642 11.1740 11.1740 11.3652 11.3652 11.4141 11.4141 11.9797 11.9797 12.1247 12.1247 12.1796 12.1796 12.6326 12.6326 12.8650 12.8650 13.0526 13.0526 13.4623 13.4623 13.9218 13.9218 14.5353 14.5353 15.2435 15.2435 15.4083 15.4083 k = 0.0000 0.7229 0.0067 ( 4449 PWs) bands (ev): -42.8627 -42.8627 -42.8269 -42.8269 -19.6621 -19.6621 -19.6158 -19.6158 -19.0505 -19.0505 -18.9924 -18.9924 -18.9460 -18.9460 -18.7976 -18.7976 10.0163 10.0163 10.7416 10.7416 10.9945 10.9945 11.0502 11.0502 11.1626 11.1626 11.3713 11.3713 11.4201 11.4201 11.9619 11.9619 12.1358 12.1358 12.1829 12.1829 12.6519 12.6519 12.8503 12.8503 13.0633 13.0633 13.4657 13.4657 13.9202 13.9202 14.5514 14.5514 15.2916 15.2916 15.4042 15.4042 k = 0.0000 0.7247 0.0196 ( 4451 PWs) bands (ev): -42.8625 -42.8625 -42.8271 -42.8271 -19.6616 -19.6616 -19.6160 -19.6160 -19.0502 -19.0502 -18.9930 -18.9930 -18.9447 -18.9447 -18.7988 -18.7988 10.0169 10.0169 10.7418 10.7418 10.9890 10.9890 11.0358 11.0358 11.1512 11.1512 11.3762 11.3762 11.4276 11.4276 11.9434 11.9434 12.1458 12.1458 12.1882 12.1882 12.6724 12.6724 12.8340 12.8340 13.0753 13.0753 13.4701 13.4701 13.9188 13.9188 14.5693 14.5693 15.3443 15.3443 15.3998 15.3998 k = 0.0000 0.7264 0.0326 ( 4453 PWs) bands (ev): -42.8623 -42.8623 -42.8273 -42.8273 -19.6611 -19.6611 -19.6162 -19.6162 -19.0497 -19.0497 -18.9936 -18.9936 -18.9433 -18.9433 -18.8002 -18.8002 10.0176 10.0176 10.7421 10.7421 10.9807 10.9807 11.0226 11.0226 11.1399 11.1399 11.3802 11.3802 11.4363 11.4363 11.9244 11.9244 12.1535 12.1535 12.1968 12.1968 12.6940 12.6940 12.8163 12.8163 13.0886 13.0886 13.4757 13.4757 13.9176 13.9176 14.5887 14.5887 15.3926 15.3926 15.4039 15.4039 k = 0.0000 0.7282 0.0455 ( 4456 PWs) bands (ev): -42.8621 -42.8621 -42.8276 -42.8276 -19.6606 -19.6606 -19.6164 -19.6164 -19.0493 -19.0493 -18.9942 -18.9942 -18.9419 -18.9419 -18.8016 -18.8016 10.0184 10.0184 10.7422 10.7422 10.9683 10.9683 11.0120 11.0120 11.1288 11.1288 11.3833 11.3833 11.4459 11.4459 11.9050 11.9050 12.1584 12.1584 12.2091 12.2091 12.7163 12.7163 12.7976 12.7976 13.1028 13.1028 13.4824 13.4824 13.9169 13.9169 14.6093 14.6093 15.3896 15.3896 15.4631 15.4631 k = 0.0000 0.7300 0.0584 ( 4459 PWs) bands (ev): -42.8618 -42.8618 -42.8279 -42.8279 -19.6599 -19.6599 -19.6166 -19.6166 -19.0488 -19.0488 -18.9949 -18.9949 -18.9403 -18.9403 -18.8032 -18.8032 10.0193 10.0193 10.7424 10.7424 10.9518 10.9518 11.0043 11.0043 11.1178 11.1178 11.3858 11.3858 11.4561 11.4561 11.8856 11.8856 12.1610 12.1610 12.2242 12.2242 12.7389 12.7389 12.7784 12.7784 13.1178 13.1178 13.4903 13.4903 13.9166 13.9166 14.6310 14.6310 15.3850 15.3850 15.5274 15.5274 k = 0.0000 0.7317 0.0714 ( 4460 PWs) bands (ev): -42.8616 -42.8616 -42.8282 -42.8282 -19.6593 -19.6593 -19.6169 -19.6169 -19.0483 -19.0483 -18.9956 -18.9956 -18.9386 -18.9386 -18.8049 -18.8049 10.0204 10.0204 10.7424 10.7424 10.9323 10.9323 10.9986 10.9986 11.1071 11.1071 11.3880 11.3880 11.4667 11.4667 11.8661 11.8661 12.1624 12.1624 12.2412 12.2412 12.7535 12.7535 12.7671 12.7671 13.1334 13.1334 13.4993 13.4993 13.9170 13.9170 14.6536 14.6536 15.3805 15.3805 15.5948 15.5948 k = 0.0000 0.7335 0.0843 ( 4455 PWs) bands (ev): -42.8613 -42.8613 -42.8285 -42.8285 -19.6586 -19.6586 -19.6172 -19.6172 -19.0477 -19.0477 -18.9963 -18.9963 -18.9368 -18.9368 -18.8067 -18.8067 10.0216 10.0216 10.7424 10.7424 10.9111 10.9111 10.9939 10.9939 11.0967 11.0967 11.3899 11.3899 11.4775 11.4775 11.8468 11.8468 12.1630 12.1630 12.2593 12.2593 12.7361 12.7361 12.7880 12.7880 13.1492 13.1492 13.5094 13.5094 13.9181 13.9181 14.6766 14.6766 15.3763 15.3763 15.6650 15.6650 k = 0.0000 0.7353 0.0973 ( 4458 PWs) bands (ev): -42.8610 -42.8610 -42.8288 -42.8288 -19.6579 -19.6579 -19.6175 -19.6175 -19.0471 -19.0471 -18.9970 -18.9970 -18.9349 -18.9349 -18.8085 -18.8085 10.0230 10.0230 10.7421 10.7421 10.8890 10.8890 10.9897 10.9897 11.0865 11.0865 11.3917 11.3917 11.4882 11.4882 11.8277 11.8277 12.1631 12.1631 12.2782 12.2782 12.7159 12.7159 12.8117 12.8117 13.1650 13.1650 13.5206 13.5206 13.9201 13.9201 14.6999 14.6999 15.3728 15.3728 15.7374 15.7374 k = 0.0000 0.7371 0.1102 ( 4462 PWs) bands (ev): -42.8607 -42.8607 -42.8292 -42.8292 -19.6571 -19.6571 -19.6178 -19.6178 -19.0465 -19.0465 -18.9978 -18.9978 -18.9329 -18.9329 -18.8105 -18.8105 10.0244 10.0244 10.7416 10.7416 10.8664 10.8664 10.9858 10.9858 11.0765 11.0765 11.3935 11.3935 11.4989 11.4989 11.8091 11.8091 12.1630 12.1630 12.2975 12.2975 12.6959 12.6959 12.8356 12.8356 13.1804 13.1804 13.5329 13.5329 13.9230 13.9230 14.7230 14.7230 15.3701 15.3701 15.8117 15.8117 k = 0.0000 0.7388 0.1231 ( 4460 PWs) bands (ev): -42.8604 -42.8604 -42.8295 -42.8295 -19.6563 -19.6563 -19.6181 -19.6181 -19.0459 -19.0459 -18.9986 -18.9986 -18.9309 -18.9309 -18.8126 -18.8126 10.0260 10.0260 10.7405 10.7405 10.8441 10.8441 10.9820 10.9820 11.0668 11.0668 11.3952 11.3952 11.5093 11.5093 11.7908 11.7908 12.1626 12.1626 12.3168 12.3168 12.6762 12.6762 12.8596 12.8596 13.1952 13.1952 13.5460 13.5460 13.9269 13.9269 14.7457 14.7457 15.3684 15.3684 15.8871 15.8871 k = 0.0000 0.7406 0.1361 ( 4460 PWs) bands (ev): -42.8600 -42.8600 -42.8299 -42.8299 -19.6555 -19.6555 -19.6185 -19.6185 -19.0453 -19.0453 -18.9993 -18.9993 -18.9288 -18.9288 -18.8147 -18.8147 10.0276 10.0276 10.7385 10.7385 10.8227 10.8227 10.9784 10.9784 11.0574 11.0574 11.3970 11.3970 11.5194 11.5194 11.7731 11.7731 12.1621 12.1621 12.3361 12.3361 12.6572 12.6572 12.8833 12.8833 13.2091 13.2091 13.5601 13.5601 13.9320 13.9320 14.7676 14.7676 15.3680 15.3680 15.9407 15.9407 k = 0.0000 0.7424 0.1490 ( 4450 PWs) bands (ev): -42.8597 -42.8597 -42.8303 -42.8303 -19.6547 -19.6547 -19.6188 -19.6188 -19.0446 -19.0446 -19.0001 -19.0001 -18.9267 -18.9267 -18.8169 -18.8169 10.0293 10.0293 10.7345 10.7345 10.8035 10.8035 10.9748 10.9748 11.0482 11.0482 11.3989 11.3989 11.5291 11.5291 11.7561 11.7561 12.1616 12.1616 12.3550 12.3550 12.6392 12.6392 12.9067 12.9067 13.2218 13.2218 13.5750 13.5750 13.9382 13.9382 14.7883 14.7883 15.3692 15.3692 15.9280 15.9280 k = 0.0000 0.7441 0.1620 ( 4448 PWs) bands (ev): -42.8594 -42.8594 -42.8307 -42.8307 -19.6538 -19.6538 -19.6192 -19.6192 -19.0439 -19.0439 -19.0008 -19.0008 -18.9245 -18.9245 -18.8191 -18.8191 10.0310 10.0310 10.7269 10.7269 10.7882 10.7882 10.9713 10.9713 11.0392 11.0392 11.4008 11.4008 11.5384 11.5384 11.7397 11.7397 12.1610 12.1610 12.3733 12.3733 12.6222 12.6222 12.9298 12.9298 13.2330 13.2330 13.5907 13.5907 13.9456 13.9456 14.8075 14.8075 15.3721 15.3721 15.9123 15.9123 k = 0.0000 0.7459 0.1749 ( 4448 PWs) bands (ev): -42.8591 -42.8591 -42.8310 -42.8310 -19.6530 -19.6530 -19.6195 -19.6195 -19.0432 -19.0432 -19.0016 -19.0016 -18.9223 -18.9223 -18.8213 -18.8213 10.0325 10.0325 10.7147 10.7147 10.7783 10.7783 10.9679 10.9679 11.0305 11.0305 11.4029 11.4029 11.5472 11.5472 11.7240 11.7240 12.1604 12.1604 12.3906 12.3906 12.6066 12.6066 12.9522 12.9522 13.2425 13.2425 13.6070 13.6070 13.9542 13.9542 14.8249 14.8249 15.3769 15.3769 15.8961 15.8961 k = 0.0000 0.7477 0.1878 ( 4446 PWs) bands (ev): -42.8588 -42.8588 -42.8314 -42.8314 -19.6521 -19.6521 -19.6199 -19.6199 -19.0426 -19.0426 -19.0023 -19.0023 -18.9201 -18.9201 -18.8236 -18.8236 10.0339 10.0339 10.6984 10.6984 10.7733 10.7733 10.9646 10.9646 11.0220 11.0220 11.4050 11.4050 11.5555 11.5555 11.7091 11.7091 12.1598 12.1598 12.4065 12.4065 12.5926 12.5926 12.9741 12.9741 13.2502 13.2502 13.6240 13.6240 13.9637 13.9637 14.8403 14.8403 15.3835 15.3835 15.8797 15.8797 k = 0.0000 0.7494 0.2008 ( 4447 PWs) bands (ev): -42.8585 -42.8585 -42.8318 -42.8318 -19.6513 -19.6513 -19.6202 -19.6202 -19.0419 -19.0419 -19.0030 -19.0030 -18.9179 -18.9179 -18.8258 -18.8258 10.0351 10.0351 10.6801 10.6801 10.7715 10.7715 10.9614 10.9614 11.0138 11.0138 11.4074 11.4074 11.5632 11.5632 11.6951 11.6951 12.1592 12.1592 12.4207 12.4207 12.5806 12.5806 12.9951 12.9951 13.2559 13.2559 13.6414 13.6414 13.9741 13.9741 14.8535 14.8535 15.3920 15.3920 15.8636 15.8636 k = 0.0000 0.7512 0.2137 ( 4451 PWs) bands (ev): -42.8582 -42.8582 -42.8321 -42.8321 -19.6505 -19.6505 -19.6205 -19.6205 -19.0412 -19.0412 -19.0036 -19.0036 -18.9158 -18.9158 -18.8280 -18.8280 10.0358 10.0358 10.6613 10.6613 10.7715 10.7715 10.9582 10.9582 11.0059 11.0059 11.4098 11.4098 11.5705 11.5705 11.6820 11.6820 12.1587 12.1587 12.4325 12.4325 12.5710 12.5710 13.0153 13.0153 13.2596 13.2596 13.6591 13.6591 13.9852 13.9852 14.8646 14.8646 15.4020 15.4020 15.8480 15.8480 k = 0.0000 0.7530 0.2267 ( 4447 PWs) bands (ev): -42.8579 -42.8579 -42.8325 -42.8325 -19.6497 -19.6497 -19.6208 -19.6208 -19.0406 -19.0406 -19.0042 -19.0042 -18.9137 -18.9137 -18.8302 -18.8302 10.0361 10.0361 10.6429 10.6429 10.7727 10.7727 10.9552 10.9552 10.9982 10.9982 11.4123 11.4123 11.5772 11.5772 11.6698 11.6698 12.1582 12.1582 12.4414 12.4414 12.5642 12.5642 13.0344 13.0344 13.2613 13.2613 13.6768 13.6768 13.9966 13.9966 14.8736 14.8736 15.4132 15.4132 15.8332 15.8332 k = 0.0000 0.7547 0.2396 ( 4451 PWs) bands (ev): -42.8576 -42.8576 -42.8328 -42.8328 -19.6489 -19.6489 -19.6211 -19.6211 -19.0400 -19.0400 -19.0047 -19.0047 -18.9117 -18.9117 -18.8322 -18.8322 10.0356 10.0356 10.6255 10.6255 10.7749 10.7749 10.9523 10.9523 10.9909 10.9909 11.4149 11.4149 11.5834 11.5834 11.6586 11.6586 12.1577 12.1577 12.4470 12.4470 12.5604 12.5604 13.0524 13.0524 13.2609 13.2609 13.6944 13.6944 14.0082 14.0082 14.8807 14.8807 15.4250 15.4250 15.8195 15.8195 k = 0.0000 0.7565 0.2525 ( 4457 PWs) bands (ev): -42.8574 -42.8574 -42.8331 -42.8331 -19.6482 -19.6482 -19.6214 -19.6214 -19.0394 -19.0394 -19.0052 -19.0052 -18.9098 -18.9098 -18.8342 -18.8342 10.0343 10.0343 10.6096 10.6096 10.7776 10.7776 10.9496 10.9496 10.9838 10.9838 11.4176 11.4176 11.5890 11.5890 11.6485 11.6485 12.1574 12.1574 12.4494 12.4494 12.5595 12.5595 13.0692 13.0692 13.2587 13.2587 13.7116 13.7116 14.0196 14.0196 14.8862 14.8862 15.4368 15.4368 15.8073 15.8073 k = 0.5000 0.6610 0.4462 ( 4474 PWs) bands (ev): -42.8451 -42.8451 -42.8451 -42.8451 -19.6382 -19.6382 -19.6379 -19.6379 -19.0493 -19.0493 -19.0440 -19.0440 -18.8471 -18.8471 -18.8420 -18.8420 10.0403 10.0403 10.0435 10.0435 10.4982 10.4982 10.5018 10.5018 11.4541 11.4541 11.4857 11.4857 11.6388 11.6388 11.6822 11.6822 12.6412 12.6412 12.6485 12.6485 13.4291 13.4291 13.4381 13.4381 14.0192 14.0192 14.0297 14.0297 14.7612 14.7612 14.7635 14.7635 15.0406 15.0406 15.0496 15.0496 k = 0.5000 0.6481 0.4462 ( 4474 PWs) bands (ev): -42.8454 -42.8454 -42.8454 -42.8454 -19.6372 -19.6372 -19.6370 -19.6370 -19.0487 -19.0487 -19.0431 -19.0431 -18.8473 -18.8473 -18.8419 -18.8419 10.0456 10.0456 10.0488 10.0488 10.4956 10.4956 10.5001 10.5001 11.4550 11.4550 11.4863 11.4863 11.6453 11.6453 11.6906 11.6906 12.6355 12.6355 12.6433 12.6433 13.3859 13.3859 13.3954 13.3954 14.0251 14.0251 14.0348 14.0348 14.7704 14.7704 14.7757 14.7757 15.0464 15.0464 15.0636 15.0636 k = 0.5000 0.6351 0.4462 ( 4478 PWs) bands (ev): -42.8458 -42.8458 -42.8458 -42.8458 -19.6359 -19.6359 -19.6358 -19.6358 -19.0478 -19.0478 -19.0420 -19.0420 -18.8475 -18.8475 -18.8418 -18.8418 10.0511 10.0511 10.0544 10.0544 10.4935 10.4935 10.4990 10.4990 11.4567 11.4567 11.4878 11.4878 11.6526 11.6526 11.6997 11.6997 12.6276 12.6276 12.6360 12.6360 13.3377 13.3377 13.3481 13.3481 14.0263 14.0263 14.0351 14.0351 14.7730 14.7730 14.7849 14.7849 15.0620 15.0620 15.0862 15.0862 k = 0.5000 0.6221 0.4462 ( 4474 PWs) bands (ev): -42.8462 -42.8462 -42.8462 -42.8462 -19.6345 -19.6345 -19.6343 -19.6343 -19.0467 -19.0467 -19.0406 -19.0406 -18.8477 -18.8477 -18.8417 -18.8417 10.0570 10.0570 10.0603 10.0603 10.4920 10.4920 10.4985 10.4985 11.4592 11.4592 11.4899 11.4899 11.6607 11.6607 11.7094 11.7094 12.6171 12.6171 12.6262 12.6262 13.2869 13.2869 13.2983 13.2983 14.0203 14.0203 14.0283 14.0283 14.7746 14.7746 14.7912 14.7912 15.0853 15.0853 15.1145 15.1145 k = 0.5000 0.6092 0.4462 ( 4476 PWs) bands (ev): -42.8467 -42.8467 -42.8467 -42.8467 -19.6328 -19.6328 -19.6327 -19.6327 -19.0454 -19.0454 -19.0391 -19.0391 -18.8479 -18.8479 -18.8416 -18.8416 10.0631 10.0631 10.0664 10.0664 10.4911 10.4911 10.4985 10.4985 11.4626 11.4626 11.4928 11.4928 11.6694 11.6694 11.7196 11.7196 12.6037 12.6037 12.6137 12.6137 13.2351 13.2351 13.2479 13.2479 14.0057 14.0057 14.0130 14.0130 14.7779 14.7779 14.7975 14.7975 15.1135 15.1135 15.1460 15.1460 k = 0.5000 0.5962 0.4462 ( 4480 PWs) bands (ev): -42.8472 -42.8472 -42.8472 -42.8472 -19.6309 -19.6309 -19.6309 -19.6309 -19.0439 -19.0439 -19.0373 -19.0373 -18.8482 -18.8482 -18.8415 -18.8415 10.0694 10.0694 10.0727 10.0727 10.4907 10.4907 10.4991 10.4991 11.4669 11.4669 11.4964 11.4964 11.6787 11.6787 11.7305 11.7305 12.5870 12.5870 12.5979 12.5979 13.1836 13.1836 13.1981 13.1981 13.9820 13.9820 13.9890 13.9890 14.7844 14.7844 14.8057 14.8057 15.1443 15.1443 15.1789 15.1789 k = 0.5000 0.5833 0.4462 ( 4474 PWs) bands (ev): -42.8478 -42.8478 -42.8478 -42.8478 -19.6289 -19.6289 -19.6289 -19.6289 -19.0422 -19.0422 -19.0353 -19.0353 -18.8485 -18.8485 -18.8414 -18.8414 10.0759 10.0759 10.0791 10.0791 10.4910 10.4910 10.5003 10.5003 11.4718 11.4718 11.5008 11.5008 11.6886 11.6886 11.7419 11.7419 12.5668 12.5668 12.5785 12.5785 13.1338 13.1338 13.1502 13.1502 13.9495 13.9495 13.9566 13.9566 14.7946 14.7946 14.8164 14.8164 15.1761 15.1761 15.2117 15.2117 k = 0.5000 0.5703 0.4462 ( 4466 PWs) bands (ev): -42.8485 -42.8485 -42.8485 -42.8485 -19.6267 -19.6267 -19.6267 -19.6267 -19.0402 -19.0402 -19.0330 -19.0330 -18.8488 -18.8488 -18.8414 -18.8414 10.0823 10.0823 10.0855 10.0855 10.4919 10.4919 10.5021 10.5021 11.4776 11.4776 11.5057 11.5057 11.6990 11.6990 11.7538 11.7538 12.5425 12.5425 12.5551 12.5551 13.0864 13.0864 13.1049 13.1049 13.9094 13.9094 13.9168 13.9168 14.8080 14.8080 14.8295 14.8295 15.2076 15.2076 15.2436 15.2436 k = 0.5000 0.5573 0.4462 ( 4468 PWs) bands (ev): -42.8492 -42.8492 -42.8492 -42.8492 -19.6244 -19.6244 -19.6243 -19.6243 -19.0381 -19.0381 -19.0306 -19.0306 -18.8490 -18.8490 -18.8413 -18.8413 10.0887 10.0887 10.0919 10.0919 10.4934 10.4934 10.5044 10.5044 11.4840 11.4840 11.5114 11.5114 11.7097 11.7097 11.7662 11.7662 12.5143 12.5143 12.5273 12.5273 13.0423 13.0423 13.0628 13.0628 13.8628 13.8628 13.8707 13.8707 14.8238 14.8238 14.8445 14.8445 15.2381 15.2381 15.2739 15.2739 k = 0.5000 0.5444 0.4462 ( 4466 PWs) bands (ev): -42.8500 -42.8500 -42.8500 -42.8500 -19.6219 -19.6219 -19.6218 -19.6218 -19.0358 -19.0358 -19.0279 -19.0279 -18.8493 -18.8493 -18.8412 -18.8412 10.0949 10.0949 10.0980 10.0980 10.4956 10.4956 10.5074 10.5074 11.4910 11.4910 11.5176 11.5176 11.7209 11.7209 11.7789 11.7789 12.4820 12.4820 12.4951 12.4951 13.0018 13.0018 13.0242 13.0242 13.8110 13.8110 13.8197 13.8197 14.8412 14.8412 14.8606 14.8606 15.2670 15.2670 15.3021 15.3021 k = 0.5000 0.5314 0.4462 ( 4466 PWs) bands (ev): -42.8508 -42.8508 -42.8508 -42.8508 -19.6194 -19.6194 -19.6192 -19.6192 -19.0332 -19.0332 -19.0251 -19.0251 -18.8496 -18.8496 -18.8411 -18.8411 10.1007 10.1007 10.1039 10.1039 10.4984 10.4984 10.5110 10.5110 11.4986 11.4986 11.5243 11.5243 11.7322 11.7322 11.7920 11.7920 12.4462 12.4462 12.4588 12.4588 12.9649 12.9649 12.9890 12.9890 13.7554 13.7554 13.7649 13.7649 14.8592 14.8592 14.8769 14.8769 15.2939 15.2939 15.3280 15.3280 k = 0.5000 0.5185 0.4462 ( 4474 PWs) bands (ev): -42.8517 -42.8517 -42.8517 -42.8517 -19.6167 -19.6167 -19.6165 -19.6165 -19.0305 -19.0305 -19.0220 -19.0220 -18.8498 -18.8498 -18.8410 -18.8410 10.1061 10.1061 10.1093 10.1093 10.5020 10.5020 10.5152 10.5152 11.5067 11.5067 11.5315 11.5315 11.7435 11.7435 11.8053 11.8053 12.4074 12.4074 12.4188 12.4188 12.9313 12.9313 12.9569 12.9569 13.6972 13.6972 13.7077 13.7077 14.8770 14.8770 14.8927 14.8927 15.3188 15.3188 15.3514 15.3514 k = 0.5000 0.5055 0.4462 ( 4478 PWs) bands (ev): -42.8526 -42.8526 -42.8526 -42.8526 -19.6139 -19.6139 -19.6137 -19.6137 -19.0276 -19.0276 -19.0187 -19.0187 -18.8501 -18.8501 -18.8408 -18.8408 10.1108 10.1108 10.1141 10.1141 10.5062 10.5062 10.5200 10.5200 11.5152 11.5152 11.5391 11.5391 11.7547 11.7547 11.8187 11.8187 12.3664 12.3664 12.3759 12.3759 12.9005 12.9005 12.9272 12.9272 13.6376 13.6376 13.6491 13.6491 14.8937 14.8937 14.9073 14.9073 15.3416 15.3416 15.3722 15.3722 k = 0.5000 0.4925 0.4462 ( 4478 PWs) bands (ev): -42.8536 -42.8536 -42.8536 -42.8536 -19.6111 -19.6111 -19.6108 -19.6108 -19.0245 -19.0245 -19.0153 -19.0153 -18.8502 -18.8502 -18.8406 -18.8406 10.1147 10.1147 10.1181 10.1181 10.5112 10.5112 10.5254 10.5254 11.5240 11.5240 11.5469 11.5469 11.7655 11.7655 11.8321 11.8321 12.3242 12.3242 12.3310 12.3310 12.8717 12.8717 12.8992 12.8992 13.5776 13.5776 13.5901 13.5901 14.9088 14.9088 14.9198 14.9198 15.3625 15.3625 15.3908 15.3908 k = 0.5000 0.4796 0.4462 ( 4472 PWs) bands (ev): -42.8546 -42.8546 -42.8546 -42.8546 -19.6082 -19.6082 -19.6079 -19.6079 -19.0213 -19.0213 -19.0117 -19.0117 -18.8504 -18.8504 -18.8403 -18.8403 10.1176 10.1176 10.1213 10.1213 10.5170 10.5170 10.5315 10.5315 11.5331 11.5331 11.5551 11.5551 11.7755 11.7755 11.8450 11.8450 12.2820 12.2820 12.2852 12.2852 12.8439 12.8439 12.8720 12.8720 13.5183 13.5183 13.5319 13.5319 14.9215 14.9215 14.9298 14.9298 15.3816 15.3816 15.4072 15.4072 k = 0.5000 0.4666 0.4462 ( 4476 PWs) bands (ev): -42.8557 -42.8557 -42.8557 -42.8557 -19.6053 -19.6053 -19.6050 -19.6050 -19.0179 -19.0179 -19.0079 -19.0079 -18.8504 -18.8504 -18.8400 -18.8400 10.1194 10.1194 10.1233 10.1233 10.5235 10.5235 10.5382 10.5382 11.5423 11.5423 11.5633 11.5633 11.7842 11.7842 11.8572 11.8572 12.2396 12.2396 12.2410 12.2410 12.8164 12.8164 12.8446 12.8446 13.4607 13.4607 13.4752 13.4752 14.9312 14.9312 14.9366 14.9366 15.3992 15.3992 15.4219 15.4219 k = 0.5000 0.4536 0.4462 ( 4478 PWs) bands (ev): -42.8567 -42.8567 -42.8567 -42.8567 -19.6024 -19.6024 -19.6020 -19.6020 -19.0144 -19.0144 -19.0040 -19.0040 -18.8504 -18.8504 -18.8396 -18.8396 10.1200 10.1200 10.1242 10.1242 10.5308 10.5308 10.5454 10.5454 11.5515 11.5515 11.5715 11.5715 11.7908 11.7908 11.8679 11.8679 12.1956 12.1956 12.2024 12.2024 12.7884 12.7884 12.8163 12.8163 13.4059 13.4059 13.4212 13.4212 14.9374 14.9374 14.9399 14.9399 15.4159 15.4159 15.4354 15.4354 k = 0.5000 0.4407 0.4462 ( 4474 PWs) bands (ev): -42.8579 -42.8579 -42.8578 -42.8578 -19.5994 -19.5994 -19.5991 -19.5991 -19.0107 -19.0107 -19.0000 -19.0000 -18.8504 -18.8504 -18.8391 -18.8391 10.1191 10.1191 10.1237 10.1237 10.5388 10.5388 10.5533 10.5533 11.5606 11.5606 11.5797 11.5797 11.7946 11.7946 11.8760 11.8760 12.1548 12.1548 12.1678 12.1678 12.7591 12.7591 12.7863 12.7863 13.3547 13.3547 13.3705 13.3705 14.9392 14.9392 14.9398 14.9398 15.4319 15.4319 15.4479 15.4479 k = 0.5000 0.4277 0.4462 ( 4474 PWs) bands (ev): -42.8590 -42.8590 -42.8590 -42.8590 -19.5965 -19.5965 -19.5962 -19.5962 -19.0070 -19.0070 -18.9958 -18.9958 -18.8502 -18.8502 -18.8385 -18.8385 10.1168 10.1168 10.1218 10.1218 10.5476 10.5476 10.5616 10.5616 11.5695 11.5695 11.5876 11.5876 11.7943 11.7943 11.8797 11.8797 12.1195 12.1195 12.1386 12.1386 12.7281 12.7281 12.7539 12.7539 13.3081 13.3081 13.3239 13.3239 14.9344 14.9344 14.9380 14.9380 15.4475 15.4475 15.4601 15.4601 k = 0.5000 0.4148 0.4462 ( 4474 PWs) bands (ev): -42.8601 -42.8601 -42.8601 -42.8601 -19.5937 -19.5937 -19.5933 -19.5933 -19.0031 -19.0031 -18.9916 -18.9916 -18.8499 -18.8499 -18.8378 -18.8378 10.1128 10.1128 10.1182 10.1182 10.5569 10.5569 10.5703 10.5703 11.5780 11.5780 11.5951 11.5951 11.7892 11.7892 11.8764 11.8764 12.0926 12.0926 12.1163 12.1163 12.6951 12.6951 12.7187 12.7187 13.2664 13.2664 13.2819 13.2819 14.9255 14.9255 14.9319 14.9319 15.4629 15.4629 15.4721 15.4721 k = 0.5000 0.4018 0.4462 ( 4474 PWs) bands (ev): -42.8613 -42.8613 -42.8613 -42.8613 -19.5909 -19.5909 -19.5905 -19.5905 -18.9993 -18.9993 -18.9874 -18.9874 -18.8494 -18.8494 -18.8370 -18.8370 10.1072 10.1072 10.1131 10.1131 10.5668 10.5668 10.5794 10.5794 11.5860 11.5860 11.6020 11.6020 11.7786 11.7786 11.8640 11.8640 12.0765 12.0765 12.1017 12.1017 12.6600 12.6600 12.6808 12.6808 13.2301 13.2301 13.2448 13.2448 14.9127 14.9127 14.9215 14.9215 15.4782 15.4782 15.4841 15.4841 k = 0.5000 0.3888 0.4462 ( 4472 PWs) bands (ev): -42.8625 -42.8625 -42.8625 -42.8625 -19.5881 -19.5881 -19.5878 -19.5878 -18.9954 -18.9954 -18.9832 -18.9832 -18.8488 -18.8488 -18.8361 -18.8361 10.0998 10.0998 10.1062 10.1062 10.5770 10.5770 10.5887 10.5887 11.5933 11.5933 11.6081 11.6081 11.7631 11.7631 11.8427 11.8427 12.0713 12.0713 12.0948 12.0948 12.6232 12.6232 12.6404 12.6404 13.1990 13.1990 13.2125 13.2125 14.8960 14.8960 14.9071 14.9071 15.4935 15.4935 15.4963 15.4963 k = 0.5000 0.3759 0.4462 ( 4468 PWs) bands (ev): -42.8637 -42.8637 -42.8637 -42.8637 -19.5854 -19.5854 -19.5851 -19.5851 -18.9914 -18.9914 -18.9789 -18.9789 -18.8480 -18.8480 -18.8350 -18.8350 10.0908 10.0908 10.0976 10.0976 10.5875 10.5875 10.5980 10.5980 11.5998 11.5998 11.6130 11.6130 11.7438 11.7438 11.8149 11.8149 12.0747 12.0747 12.0947 12.0947 12.5851 12.5851 12.5980 12.5980 13.1729 13.1729 13.1849 13.1849 14.8760 14.8760 14.8890 14.8890 15.5085 15.5085 15.5085 15.5085 k = 0.5000 0.3629 0.4462 ( 4470 PWs) bands (ev): -42.8649 -42.8649 -42.8649 -42.8649 -19.5828 -19.5828 -19.5825 -19.5825 -18.9875 -18.9875 -18.9748 -18.9748 -18.8470 -18.8470 -18.8337 -18.8337 10.0801 10.0801 10.0873 10.0873 10.5981 10.5981 10.6072 10.6072 11.6053 11.6053 11.6161 11.6161 11.7226 11.7226 11.7835 11.7835 12.0840 12.0840 12.1003 12.1003 12.5465 12.5465 12.5545 12.5545 13.1513 13.1513 13.1616 13.1616 14.8529 14.8529 14.8675 14.8675 15.5205 15.5205 15.5231 15.5231 k = 0.5000 0.3500 0.4462 ( 4464 PWs) bands (ev): -42.8661 -42.8661 -42.8661 -42.8661 -19.5803 -19.5803 -19.5800 -19.5800 -18.9837 -18.9837 -18.9707 -18.9707 -18.8458 -18.8458 -18.8323 -18.8323 10.0677 10.0677 10.0754 10.0754 10.6085 10.6085 10.6162 10.6162 11.6097 11.6097 11.6164 11.6164 11.7018 11.7018 11.7508 11.7508 12.0969 12.0969 12.1101 12.1101 12.5081 12.5081 12.5106 12.5106 13.1336 13.1336 13.1421 13.1421 14.8273 14.8273 14.8431 14.8431 15.5319 15.5319 15.5369 15.5369 k = 0.5000 0.3370 0.4462 ( 4464 PWs) bands (ev): -42.8673 -42.8673 -42.8673 -42.8673 -19.5779 -19.5779 -19.5775 -19.5775 -18.9799 -18.9799 -18.9668 -18.9668 -18.8443 -18.8443 -18.8306 -18.8306 10.0538 10.0538 10.0619 10.0619 10.6186 10.6186 10.6246 10.6246 11.6122 11.6122 11.6127 11.6127 11.6844 11.6844 11.7182 11.7182 12.1121 12.1121 12.1233 12.1233 12.4672 12.4672 12.4708 12.4708 13.1192 13.1192 13.1260 13.1260 14.7996 14.7996 14.8163 14.8163 15.5423 15.5423 15.5494 15.5494 k = 0.5000 0.3240 0.4462 ( 4468 PWs) bands (ev): -42.8685 -42.8685 -42.8685 -42.8685 -19.5756 -19.5756 -19.5752 -19.5752 -18.9763 -18.9763 -18.9630 -18.9630 -18.8426 -18.8426 -18.8288 -18.8288 10.0385 10.0385 10.0468 10.0468 10.6281 10.6281 10.6323 10.6323 11.6018 11.6018 11.6139 11.6139 11.6726 11.6726 11.6871 11.6871 12.1287 12.1287 12.1388 12.1388 12.4250 12.4250 12.4353 12.4353 13.1076 13.1076 13.1126 13.1126 14.7701 14.7701 14.7874 14.7874 15.5514 15.5514 15.5603 15.5603 k = 0.5000 0.3111 0.4462 ( 4470 PWs) bands (ev): -42.8697 -42.8697 -42.8697 -42.8697 -19.5734 -19.5734 -19.5730 -19.5730 -18.9727 -18.9727 -18.9595 -18.9595 -18.8406 -18.8406 -18.8269 -18.8269 10.0219 10.0219 10.0304 10.0304 10.6368 10.6368 10.6391 10.6391 11.5858 11.5858 11.6121 11.6121 11.6592 11.6592 11.6664 11.6664 12.1460 12.1460 12.1562 12.1562 12.3847 12.3847 12.4023 12.4023 13.0982 13.0982 13.1016 13.1016 14.7392 14.7392 14.7571 14.7571 15.5585 15.5585 15.5689 15.5689 k = 0.5000 0.2981 0.4462 ( 4466 PWs) bands (ev): -42.8709 -42.8709 -42.8709 -42.8709 -19.5713 -19.5713 -19.5710 -19.5710 -18.9694 -18.9694 -18.9561 -18.9561 -18.8384 -18.8384 -18.8247 -18.8247 10.0042 10.0042 10.0128 10.0128 10.6444 10.6444 10.6447 10.6447 11.5671 11.5671 11.6031 11.6031 11.6391 11.6391 11.6635 11.6635 12.1634 12.1634 12.1750 12.1750 12.3467 12.3467 12.3726 12.3726 13.0908 13.0908 13.0927 13.0927 14.7075 14.7075 14.7255 14.7255 15.5634 15.5634 15.5749 15.5749 k = 0.5000 0.2852 0.4462 ( 4464 PWs) bands (ev): -42.8720 -42.8720 -42.8720 -42.8720 -19.5693 -19.5693 -19.5690 -19.5690 -18.9661 -18.9661 -18.9531 -18.9531 -18.8359 -18.8359 -18.8223 -18.8223 9.9855 9.9855 9.9942 9.9942 10.6489 10.6489 10.6507 10.6507 11.5477 11.5477 11.5840 11.5840 11.6300 11.6300 11.6622 11.6622 12.1800 12.1800 12.1947 12.1947 12.3114 12.3114 12.3471 12.3471 13.0850 13.0850 13.0854 13.0854 14.6750 14.6750 14.6931 14.6931 15.5655 15.5655 15.5778 15.5778 k = 0.5000 0.2722 0.4462 ( 4462 PWs) bands (ev): -42.8732 -42.8732 -42.8732 -42.8732 -19.5674 -19.5674 -19.5671 -19.5671 -18.9631 -18.9631 -18.9503 -18.9503 -18.8331 -18.8331 -18.8198 -18.8198 9.9659 9.9659 9.9746 9.9746 10.6516 10.6516 10.6554 10.6554 11.5288 11.5288 11.5610 11.5610 11.6262 11.6262 11.6614 11.6614 12.1944 12.1944 12.2146 12.2146 12.2796 12.2796 12.3270 12.3270 13.0795 13.0795 13.0804 13.0804 14.6423 14.6423 14.6602 14.6602 15.5647 15.5647 15.5773 15.5773 k = 0.5000 0.2592 0.4462 ( 4460 PWs) bands (ev): -42.8743 -42.8743 -42.8743 -42.8743 -19.5656 -19.5656 -19.5654 -19.5654 -18.9603 -18.9603 -18.9477 -18.9477 -18.8301 -18.8301 -18.8171 -18.8171 9.9458 9.9458 9.9544 9.9544 10.6525 10.6525 10.6583 10.6583 11.5112 11.5112 11.5383 11.5383 11.6238 11.6238 11.6610 11.6610 12.2043 12.2043 12.2304 12.2304 12.2554 12.2554 12.3145 12.3145 13.0747 13.0747 13.0769 13.0769 14.6094 14.6094 14.6271 14.6271 15.5611 15.5611 15.5736 15.5736 k = 0.5000 0.2463 0.4462 ( 4456 PWs) bands (ev): -42.8754 -42.8754 -42.8753 -42.8753 -19.5640 -19.5640 -19.5637 -19.5637 -18.9576 -18.9576 -18.9455 -18.9455 -18.8268 -18.8268 -18.8143 -18.8143 9.9253 9.9253 9.9337 9.9337 10.6516 10.6516 10.6593 10.6593 11.4951 11.4951 11.5172 11.5172 11.6219 11.6219 11.6609 11.6609 12.2071 12.2071 12.2173 12.2173 12.2634 12.2634 12.3119 12.3119 13.0710 13.0710 13.0743 13.0743 14.5767 14.5767 14.5941 14.5941 15.5548 15.5548 15.5668 15.5668 k = 0.5000 0.2333 0.4462 ( 4452 PWs) bands (ev): -42.8764 -42.8764 -42.8764 -42.8764 -19.5624 -19.5624 -19.5622 -19.5622 -18.9552 -18.9552 -18.9435 -18.9435 -18.8234 -18.8234 -18.8113 -18.8113 9.9045 9.9045 9.9127 9.9127 10.6489 10.6489 10.6582 10.6582 11.4807 11.4807 11.4981 11.4981 11.6205 11.6205 11.6610 11.6610 12.1944 12.1944 12.2028 12.2028 12.2841 12.2841 12.3189 12.3189 13.0680 13.0680 13.0723 13.0723 14.5445 14.5445 14.5613 14.5613 15.5462 15.5462 15.5574 15.5574 k = 0.5000 0.2203 0.4462 ( 4454 PWs) bands (ev): -42.8774 -42.8774 -42.8774 -42.8774 -19.5610 -19.5610 -19.5608 -19.5608 -18.9529 -18.9529 -18.9418 -18.9418 -18.8199 -18.8199 -18.8083 -18.8083 9.8837 9.8837 9.8916 9.8916 10.6443 10.6443 10.6550 10.6550 11.4680 11.4680 11.4814 11.4814 11.6195 11.6195 11.6616 11.6616 12.1730 12.1730 12.1941 12.1941 12.3060 12.3060 12.3324 12.3324 13.0657 13.0657 13.0709 13.0709 14.5128 14.5128 14.5291 14.5291 15.5359 15.5359 15.5462 15.5462 k = 0.5000 0.2074 0.4462 ( 4458 PWs) bands (ev): -42.8784 -42.8784 -42.8784 -42.8784 -19.5597 -19.5597 -19.5595 -19.5595 -18.9509 -18.9509 -18.9403 -18.9403 -18.8162 -18.8162 -18.8052 -18.8052 9.8630 9.8630 9.8706 9.8706 10.6379 10.6379 10.6497 10.6497 11.4571 11.4571 11.4669 11.4669 11.6192 11.6192 11.6628 11.6628 12.1536 12.1536 12.1835 12.1835 12.3281 12.3281 12.3494 12.3494 13.0639 13.0639 13.0700 13.0700 14.4819 14.4819 14.4975 14.4975 15.5242 15.5242 15.5336 15.5336 k = 0.5000 0.1944 0.4462 ( 4458 PWs) bands (ev): -42.8793 -42.8793 -42.8793 -42.8793 -19.5585 -19.5585 -19.5583 -19.5583 -18.9490 -18.9490 -18.9390 -18.9390 -18.8125 -18.8125 -18.8021 -18.8021 9.8426 9.8426 9.8499 9.8499 10.6298 10.6298 10.6425 10.6425 11.4478 11.4478 11.4548 11.4548 11.6197 11.6197 11.6647 11.6647 12.1360 12.1360 12.1724 12.1724 12.3503 12.3503 12.3681 12.3681 13.0626 13.0626 13.0693 13.0693 14.4520 14.4520 14.4668 14.4668 15.5118 15.5118 15.5202 15.5202 k = 0.5000 0.1815 0.4462 ( 4462 PWs) bands (ev): -42.8802 -42.8802 -42.8802 -42.8802 -19.5574 -19.5574 -19.5572 -19.5572 -18.9473 -18.9473 -18.9380 -18.9380 -18.8087 -18.8087 -18.7990 -18.7990 9.8228 9.8228 9.8297 9.8297 10.6204 10.6204 10.6336 10.6336 11.4401 11.4401 11.4448 11.4448 11.6212 11.6212 11.6673 11.6673 12.1202 12.1202 12.1613 12.1613 12.3721 12.3721 12.3876 12.3876 13.0616 13.0616 13.0689 13.0689 14.4231 14.4231 14.4372 14.4372 15.4990 15.4990 15.5064 15.5064 k = 0.5000 0.1685 0.4462 ( 4460 PWs) bands (ev): -42.8811 -42.8811 -42.8811 -42.8811 -19.5564 -19.5564 -19.5562 -19.5562 -18.9458 -18.9458 -18.9371 -18.9371 -18.8050 -18.8050 -18.7960 -18.7960 9.8037 9.8037 9.8101 9.8101 10.6099 10.6099 10.6232 10.6232 11.4338 11.4338 11.4368 11.4368 11.6237 11.6237 11.6707 11.6707 12.1058 12.1058 12.1505 12.1505 12.3936 12.3936 12.4072 12.4072 13.0609 13.0609 13.0687 13.0687 14.3956 14.3956 14.4088 14.4088 15.4861 15.4861 15.4927 15.4927 k = 0.5000 0.1555 0.4462 ( 4462 PWs) bands (ev): -42.8819 -42.8819 -42.8818 -42.8818 -19.5554 -19.5554 -19.5553 -19.5553 -18.9444 -18.9444 -18.9364 -18.9364 -18.8013 -18.8013 -18.7930 -18.7930 9.7853 9.7853 9.7913 9.7913 10.5986 10.5986 10.6117 10.6117 11.4288 11.4288 11.4306 11.4306 11.6272 11.6272 11.6749 11.6749 12.0927 12.0927 12.1398 12.1398 12.4145 12.4145 12.4266 12.4266 13.0604 13.0604 13.0685 13.0685 14.3694 14.3694 14.3817 14.3817 15.4735 15.4735 15.4793 15.4793 k = 0.5000 0.1426 0.4462 ( 4460 PWs) bands (ev): -42.8826 -42.8826 -42.8826 -42.8826 -19.5546 -19.5546 -19.5545 -19.5545 -18.9432 -18.9432 -18.9359 -18.9359 -18.7978 -18.7978 -18.7902 -18.7902 9.7680 9.7680 9.7735 9.7735 10.5867 10.5867 10.5995 10.5995 11.4249 11.4249 11.4259 11.4259 11.6318 11.6318 11.6798 11.6798 12.0808 12.0808 12.1294 12.1294 12.4346 12.4346 12.4455 12.4455 13.0601 13.0601 13.0683 13.0683 14.3448 14.3448 14.3561 14.3561 15.4613 15.4613 15.4664 15.4664 k = 0.5000 0.1296 0.4462 ( 4460 PWs) bands (ev): -42.8833 -42.8833 -42.8833 -42.8833 -19.5539 -19.5539 -19.5537 -19.5537 -18.9421 -18.9421 -18.9355 -18.9355 -18.7944 -18.7944 -18.7875 -18.7875 9.7517 9.7517 9.7568 9.7568 10.5747 10.5747 10.5869 10.5869 11.4218 11.4218 11.4224 11.4224 11.6374 11.6374 11.6851 11.6851 12.0700 12.0700 12.1191 12.1191 12.4538 12.4538 12.4637 12.4637 13.0599 13.0599 13.0681 13.0681 14.3219 14.3219 14.3322 14.3322 15.4498 15.4498 15.4542 15.4542 k = 0.5000 0.1167 0.4462 ( 4460 PWs) bands (ev): -42.8839 -42.8839 -42.8839 -42.8839 -19.5532 -19.5532 -19.5531 -19.5531 -18.9411 -18.9411 -18.9352 -18.9352 -18.7911 -18.7911 -18.7850 -18.7850 9.7366 9.7366 9.7412 9.7412 10.5629 10.5629 10.5742 10.5742 11.4196 11.4196 11.4198 11.4198 11.6439 11.6439 11.6907 11.6907 12.0602 12.0602 12.1090 12.1090 12.4720 12.4720 12.4808 12.4808 13.0598 13.0598 13.0679 13.0679 14.3007 14.3007 14.3100 14.3100 15.4391 15.4391 15.4429 15.4429 k = 0.5000 0.1037 0.4462 ( 4456 PWs) bands (ev): -42.8845 -42.8845 -42.8845 -42.8845 -19.5526 -19.5526 -19.5525 -19.5525 -18.9402 -18.9402 -18.9350 -18.9350 -18.7881 -18.7881 -18.7827 -18.7827 9.7229 9.7229 9.7270 9.7270 10.5516 10.5516 10.5619 10.5619 11.4179 11.4179 11.4180 11.4180 11.6512 11.6512 11.6964 11.6964 12.0515 12.0515 12.0989 12.0989 12.4889 12.4889 12.4968 12.4968 13.0597 13.0597 13.0675 13.0675 14.2815 14.2815 14.2897 14.2897 15.4294 15.4294 15.4326 15.4326 k = 0.5000 0.0907 0.4462 ( 4456 PWs) bands (ev): -42.8850 -42.8850 -42.8850 -42.8850 -19.5521 -19.5521 -19.5520 -19.5520 -18.9394 -18.9394 -18.9348 -18.9348 -18.7854 -18.7854 -18.7806 -18.7806 9.7106 9.7106 9.7142 9.7142 10.5410 10.5410 10.5502 10.5502 11.4167 11.4167 11.4168 11.4168 11.6591 11.6591 11.7019 11.7019 12.0440 12.0440 12.0890 12.0890 12.5045 12.5045 12.5114 12.5114 13.0598 13.0598 13.0671 13.0671 14.2642 14.2642 14.2714 14.2714 15.4206 15.4206 15.4233 15.4233 k = 0.5000 0.0778 0.4462 ( 4456 PWs) bands (ev): -42.8854 -42.8854 -42.8854 -42.8854 -19.5517 -19.5517 -19.5516 -19.5516 -18.9387 -18.9387 -18.9348 -18.9348 -18.7829 -18.7829 -18.7789 -18.7789 9.6998 9.6998 9.7029 9.7029 10.5314 10.5314 10.5394 10.5394 11.4159 11.4159 11.4160 11.4160 11.6674 11.6674 11.7068 11.7068 12.0378 12.0378 12.0793 12.0793 12.5184 12.5184 12.5245 12.5245 13.0599 13.0599 13.0666 13.0666 14.2491 14.2491 14.2553 14.2553 15.4129 15.4129 15.4152 15.4152 k = 0.5000 0.0648 0.4462 ( 4464 PWs) bands (ev): -42.8858 -42.8858 -42.8858 -42.8858 -19.5513 -19.5513 -19.5512 -19.5512 -18.9381 -18.9381 -18.9348 -18.9348 -18.7807 -18.7807 -18.7774 -18.7774 9.6906 9.6906 9.6932 9.6932 10.5230 10.5230 10.5298 10.5298 11.4153 11.4153 11.4155 11.4155 11.6758 11.6758 11.7109 11.7109 12.0329 12.0329 12.0698 12.0698 12.5306 12.5306 12.5357 12.5357 13.0601 13.0601 13.0659 13.0659 14.2362 14.2362 14.2414 14.2414 15.4064 15.4064 15.4082 15.4082 k = 0.5000 0.0518 0.4462 ( 4460 PWs) bands (ev): -42.8861 -42.8861 -42.8861 -42.8861 -19.5510 -19.5510 -19.5509 -19.5509 -18.9375 -18.9375 -18.9349 -18.9349 -18.7789 -18.7789 -18.7762 -18.7762 9.6830 9.6830 9.6851 9.6851 10.5161 10.5161 10.5215 10.5215 11.4150 11.4150 11.4151 11.4151 11.6841 11.6841 11.7138 11.7138 12.0296 12.0296 12.0609 12.0609 12.5410 12.5410 12.5451 12.5451 13.0604 13.0604 13.0652 13.0652 14.2257 14.2257 14.2297 14.2297 15.4011 15.4011 15.4025 15.4025 k = 0.5000 0.0389 0.4462 ( 4460 PWs) bands (ev): -42.8863 -42.8863 -42.8863 -42.8863 -19.5508 -19.5508 -19.5507 -19.5507 -18.9370 -18.9370 -18.9351 -18.9351 -18.7773 -18.7773 -18.7753 -18.7753 9.6772 9.6772 9.6787 9.6787 10.5106 10.5106 10.5148 10.5148 11.4148 11.4148 11.4149 11.4149 11.6919 11.6919 11.7153 11.7153 12.0280 12.0280 12.0526 12.0526 12.5493 12.5493 12.5524 12.5524 13.0607 13.0607 13.0645 13.0645 14.2174 14.2174 14.2205 14.2205 15.3969 15.3969 15.3979 15.3979 k = 0.5000 0.0259 0.4462 ( 4454 PWs) bands (ev): -42.8865 -42.8865 -42.8865 -42.8865 -19.5506 -19.5506 -19.5506 -19.5506 -18.9366 -18.9366 -18.9353 -18.9353 -18.7761 -18.7761 -18.7748 -18.7748 9.6730 9.6730 9.6740 9.6740 10.5069 10.5069 10.5096 10.5096 11.4147 11.4147 11.4148 11.4148 11.6991 11.6991 11.7152 11.7152 12.0282 12.0282 12.0451 12.0451 12.5555 12.5555 12.5576 12.5576 13.0612 13.0612 13.0638 13.0638 14.2117 14.2117 14.2137 14.2137 15.3940 15.3940 15.3947 15.3947 k = 0.5000 0.0130 0.4462 ( 4454 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5505 -19.5505 -18.9362 -18.9362 -18.9355 -18.9355 -18.7752 -18.7752 -18.7746 -18.7746 9.6706 9.6706 9.6711 9.6711 10.5049 10.5049 10.5063 10.5063 11.4147 11.4147 11.4147 11.4147 11.7052 11.7052 11.7134 11.7134 12.0301 12.0301 12.0387 12.0387 12.5595 12.5595 12.5605 12.5605 13.0617 13.0617 13.0630 13.0630 14.2084 14.2084 14.2094 14.2094 15.3923 15.3923 15.3926 15.3926 k = 0.5000-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5505 -19.5505 -18.9358 -18.9358 -18.9358 -18.9358 -18.7747 -18.7747 -18.7747 -18.7747 9.6700 9.6700 9.6700 9.6700 10.5047 10.5047 10.5047 10.5047 11.4147 11.4147 11.4147 11.4147 11.7101 11.7101 11.7101 11.7101 12.0337 12.0337 12.0337 12.0337 12.5611 12.5611 12.5611 12.5611 13.0623 13.0623 13.0623 13.0623 14.2077 14.2077 14.2077 14.2077 15.3918 15.3918 15.3918 15.3918 k = 0.5000-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5505 -19.5505 -18.9358 -18.9358 -18.9358 -18.9358 -18.7747 -18.7747 -18.7747 -18.7747 9.6700 9.6700 9.6700 9.6700 10.5047 10.5047 10.5047 10.5047 11.4147 11.4147 11.4147 11.4147 11.7101 11.7101 11.7101 11.7101 12.0337 12.0337 12.0337 12.0337 12.5611 12.5611 12.5611 12.5611 13.0623 13.0623 13.0623 13.0623 14.2077 14.2077 14.2077 14.2077 15.3918 15.3918 15.3918 15.3918 k = 0.5000-0.0000 0.4335 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5504 -19.5504 -18.9361 -18.9361 -18.9355 -18.9355 -18.7750 -18.7750 -18.7745 -18.7745 9.6667 9.6667 9.6668 9.6668 10.5051 10.5051 10.5061 10.5061 11.4132 11.4132 11.4157 11.4157 11.7109 11.7109 11.7136 11.7136 12.0329 12.0329 12.0349 12.0349 12.5605 12.5605 12.5618 12.5618 13.0627 13.0627 13.0638 13.0638 14.2073 14.2073 14.2084 14.2084 15.3915 15.3915 15.3923 15.3923 k = 0.5000-0.0000 0.4207 ( 4458 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5503 -19.5503 -18.9364 -18.9364 -18.9352 -18.9352 -18.7753 -18.7753 -18.7744 -18.7744 9.6571 9.6571 9.6572 9.6572 10.5073 10.5073 10.5092 10.5092 11.4113 11.4113 11.4162 11.4162 11.7159 11.7159 11.7212 11.7212 12.0327 12.0327 12.0365 12.0365 12.5601 12.5601 12.5626 12.5626 13.0649 13.0649 13.0672 13.0672 14.2074 14.2074 14.2094 14.2094 15.3914 15.3914 15.3930 15.3930 k = 0.5000-0.0000 0.4080 ( 4458 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5504 -19.5504 -19.5501 -19.5501 -18.9366 -18.9366 -18.9349 -18.9349 -18.7757 -18.7757 -18.7743 -18.7743 9.6415 9.6415 9.6416 9.6416 10.5111 10.5111 10.5140 10.5140 11.4092 11.4092 11.4162 11.4162 11.7250 11.7250 11.7328 11.7328 12.0329 12.0329 12.0386 12.0386 12.5597 12.5597 12.5634 12.5634 13.0691 13.0691 13.0725 13.0725 14.2078 14.2078 14.2109 14.2109 15.3914 15.3914 15.3938 15.3938 k = 0.5000-0.0000 0.3952 ( 4456 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5502 -19.5502 -19.5499 -19.5499 -18.9367 -18.9367 -18.9345 -18.9345 -18.7762 -18.7762 -18.7743 -18.7743 9.6203 9.6203 9.6204 9.6204 10.5161 10.5161 10.5199 10.5199 11.4068 11.4068 11.4158 11.4158 11.7378 11.7378 11.7480 11.7480 12.0337 12.0337 12.0411 12.0411 12.5594 12.5594 12.5642 12.5642 13.0751 13.0751 13.0796 13.0796 14.2087 14.2087 14.2128 14.2128 15.3917 15.3917 15.3948 15.3948 k = 0.5000-0.0000 0.3825 ( 4454 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5500 -19.5500 -19.5496 -19.5496 -18.9369 -18.9369 -18.9341 -18.9341 -18.7767 -18.7767 -18.7744 -18.7744 9.5943 9.5943 9.5944 9.5944 10.5221 10.5221 10.5267 10.5267 11.4043 11.4043 11.4151 11.4151 11.7538 11.7538 11.7662 11.7662 12.0350 12.0350 12.0440 12.0440 12.5592 12.5592 12.5652 12.5652 13.0829 13.0829 13.0886 13.0886 14.2102 14.2102 14.2151 14.2151 15.3921 15.3921 15.3959 15.3959 k = 0.5000-0.0000 0.3697 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5498 -19.5498 -19.5492 -19.5492 -18.9370 -18.9370 -18.9337 -18.9337 -18.7772 -18.7772 -18.7745 -18.7745 9.5641 9.5641 9.5643 9.5643 10.5286 10.5286 10.5341 10.5341 11.4019 11.4019 11.4141 11.4141 11.7724 11.7724 11.7870 11.7870 12.0369 12.0369 12.0472 12.0472 12.5591 12.5591 12.5661 12.5661 13.0927 13.0927 13.0995 13.0995 14.2124 14.2124 14.2181 14.2181 15.3928 15.3928 15.3971 15.3971 k = 0.5000-0.0000 0.3570 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5495 -19.5495 -19.5489 -19.5489 -18.9371 -18.9371 -18.9333 -18.9333 -18.7779 -18.7779 -18.7747 -18.7747 9.5305 9.5305 9.5306 9.5306 10.5354 10.5354 10.5416 10.5416 11.3995 11.3995 11.4131 11.4131 11.7931 11.7931 11.8098 11.8098 12.0394 12.0394 12.0509 12.0509 12.5591 12.5591 12.5671 12.5671 13.1043 13.1043 13.1123 13.1123 14.2153 14.2153 14.2218 14.2218 15.3936 15.3936 15.3984 15.3984 k = 0.5000-0.0000 0.3442 ( 4466 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5492 -19.5492 -19.5485 -19.5485 -18.9371 -18.9371 -18.9329 -18.9329 -18.7785 -18.7785 -18.7750 -18.7750 9.4940 9.4940 9.4941 9.4941 10.5421 10.5421 10.5491 10.5491 11.3973 11.3973 11.4120 11.4120 11.8151 11.8151 11.8340 11.8340 12.0426 12.0426 12.0550 12.0550 12.5592 12.5592 12.5680 12.5680 13.1178 13.1178 13.1269 13.1269 14.2191 14.2191 14.2262 14.2262 15.3946 15.3946 15.3998 15.3998 k = 0.5000-0.0000 0.3315 ( 4470 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5488 -19.5488 -19.5480 -19.5480 -18.9371 -18.9371 -18.9324 -18.9324 -18.7792 -18.7792 -18.7753 -18.7753 9.4553 9.4553 9.4554 9.4554 10.5486 10.5486 10.5562 10.5562 11.3953 11.3953 11.4108 11.4108 11.8379 11.8379 11.8589 11.8589 12.0466 12.0466 12.0595 12.0595 12.5593 12.5593 12.5690 12.5690 13.1331 13.1331 13.1432 13.1432 14.2239 14.2239 14.2316 14.2316 15.3957 15.3957 15.4011 15.4011 k = 0.5000-0.0000 0.3187 ( 4472 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5484 -19.5484 -19.5475 -19.5475 -18.9371 -18.9371 -18.9320 -18.9320 -18.7799 -18.7799 -18.7757 -18.7757 9.4150 9.4150 9.4151 9.4151 10.5547 10.5547 10.5630 10.5630 11.3935 11.3935 11.4097 11.4097 11.8607 11.8607 11.8838 11.8838 12.0515 12.0515 12.0646 12.0646 12.5596 12.5596 12.5698 12.5698 13.1501 13.1501 13.1613 13.1613 14.2300 14.2300 14.2380 14.2380 15.3967 15.3967 15.4024 15.4024 k = 0.5000-0.0000 0.3060 ( 4470 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5479 -19.5479 -19.5470 -19.5470 -18.9370 -18.9370 -18.9315 -18.9315 -18.7807 -18.7807 -18.7761 -18.7761 9.3736 9.3736 9.3737 9.3737 10.5604 10.5604 10.5692 10.5692 11.3918 11.3918 11.4087 11.4087 11.8827 11.8827 11.9082 11.9082 12.0575 12.0575 12.0705 12.0705 12.5599 12.5599 12.5707 12.5707 13.1687 13.1687 13.1810 13.1810 14.2373 14.2373 14.2456 14.2456 15.3977 15.3977 15.4036 15.4036 k = 0.5000-0.0000 0.2932 ( 4466 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5475 -19.5475 -19.5465 -19.5465 -18.9369 -18.9369 -18.9311 -18.9311 -18.7815 -18.7815 -18.7766 -18.7766 9.3316 9.3316 9.3316 9.3316 10.5656 10.5656 10.5749 10.5749 11.3904 11.3904 11.4077 11.4077 11.9035 11.9035 11.9312 11.9312 12.0648 12.0648 12.0773 12.0773 12.5602 12.5602 12.5715 12.5715 13.1888 13.1888 13.2021 13.2021 14.2462 14.2462 14.2546 14.2546 15.3985 15.3985 15.4045 15.4045 k = 0.5000-0.0000 0.2805 ( 4468 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5469 -19.5469 -19.5459 -19.5459 -18.9368 -18.9368 -18.9306 -18.9306 -18.7823 -18.7823 -18.7771 -18.7771 9.2893 9.2893 9.2893 9.2893 10.5703 10.5703 10.5800 10.5800 11.3891 11.3891 11.4069 11.4069 11.9222 11.9222 11.9522 11.9522 12.0736 12.0736 12.0854 12.0854 12.5606 12.5606 12.5721 12.5721 13.2102 13.2102 13.2245 13.2245 14.2566 14.2566 14.2651 14.2651 15.3990 15.3990 15.4050 15.4050 k = 0.5000-0.0000 0.2677 ( 4470 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5464 -19.5464 -19.5453 -19.5453 -18.9366 -18.9366 -18.9302 -18.9302 -18.7831 -18.7831 -18.7777 -18.7777 9.2471 9.2471 9.2471 9.2471 10.5746 10.5746 10.5845 10.5845 11.3881 11.3881 11.4061 11.4061 11.9386 11.9386 11.9706 11.9706 12.0839 12.0839 12.0951 12.0951 12.5610 12.5610 12.5727 12.5727 13.2327 13.2327 13.2478 13.2478 14.2689 14.2689 14.2772 14.2772 15.3990 15.3990 15.4050 15.4050 k = 0.5000-0.0000 0.2550 ( 4470 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5458 -19.5458 -19.5448 -19.5448 -18.9364 -18.9364 -18.9298 -18.9298 -18.7839 -18.7839 -18.7784 -18.7784 9.2054 9.2054 9.2054 9.2054 10.5783 10.5783 10.5885 10.5885 11.3873 11.3873 11.4054 11.4054 11.9523 11.9523 11.9858 11.9858 12.0958 12.0958 12.1064 12.1064 12.5614 12.5614 12.5732 12.5732 13.2561 13.2561 13.2720 13.2720 14.2830 14.2830 14.2911 14.2911 15.3985 15.3985 15.4043 15.4043 k = 0.5000-0.0000 0.2422 ( 4474 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5453 -19.5453 -19.5442 -19.5442 -18.9362 -18.9362 -18.9294 -18.9294 -18.7847 -18.7847 -18.7790 -18.7790 9.1644 9.1644 9.1644 9.1644 10.5816 10.5816 10.5919 10.5919 11.3867 11.3867 11.4047 11.4047 11.9635 11.9635 11.9979 11.9979 12.1089 12.1089 12.1193 12.1193 12.5617 12.5617 12.5735 12.5735 13.2800 13.2800 13.2966 13.2966 14.2991 14.2991 14.3068 14.3068 15.3971 15.3971 15.4029 15.4029 k = 0.5000-0.0000 0.2295 ( 4466 PWs) bands (ev): -42.8867 -42.8867 -42.8867 -42.8867 -19.5447 -19.5447 -19.5436 -19.5436 -18.9359 -18.9359 -18.9290 -18.9290 -18.7855 -18.7855 -18.7797 -18.7797 9.1243 9.1243 9.1244 9.1244 10.5846 10.5846 10.5949 10.5949 11.3863 11.3863 11.4042 11.4042 11.9723 11.9723 12.0070 12.0070 12.1229 12.1229 12.1333 12.1333 12.5621 12.5621 12.5737 12.5737 13.3043 13.3043 13.3215 13.3215 14.3173 14.3173 14.3245 14.3245 15.3948 15.3948 15.4004 15.4004 k = 0.5000-0.0000 0.2167 ( 4462 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5441 -19.5441 -19.5430 -19.5430 -18.9356 -18.9356 -18.9286 -18.9286 -18.7863 -18.7863 -18.7805 -18.7805 9.0855 9.0855 9.0855 9.0855 10.5871 10.5871 10.5975 10.5975 11.3860 11.3860 11.4038 11.4038 11.9792 11.9792 12.0137 12.0137 12.1373 12.1373 12.1478 12.1478 12.5624 12.5624 12.5737 12.5737 13.3285 13.3285 13.3462 13.3462 14.3375 14.3375 14.3441 14.3441 15.3914 15.3914 15.3969 15.3969 k = 0.5000-0.0000 0.2040 ( 4458 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5435 -19.5435 -19.5424 -19.5424 -18.9352 -18.9352 -18.9283 -18.9283 -18.7871 -18.7871 -18.7812 -18.7812 9.0480 9.0480 9.0480 9.0480 10.5894 10.5894 10.5996 10.5996 11.3859 11.3859 11.4034 11.4034 11.9845 11.9845 12.0184 12.0184 12.1517 12.1517 12.1625 12.1625 12.5627 12.5627 12.5736 12.5736 13.3526 13.3526 13.3705 13.3705 14.3597 14.3597 14.3657 14.3657 15.3867 15.3867 15.3920 15.3920 k = 0.5000-0.0000 0.1912 ( 4458 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5429 -19.5429 -19.5418 -19.5418 -18.9349 -18.9349 -18.9280 -18.9280 -18.7878 -18.7878 -18.7820 -18.7820 9.0121 9.0121 9.0121 9.0121 10.5914 10.5914 10.6015 10.6015 11.3860 11.3860 11.4030 11.4030 11.9886 11.9886 12.0216 12.0216 12.1657 12.1657 12.1767 12.1767 12.5629 12.5629 12.5734 12.5734 13.3761 13.3761 13.3942 13.3942 14.3839 14.3839 14.3892 14.3892 15.3806 15.3806 15.3858 15.3858 k = 0.5000-0.0000 0.1785 ( 4456 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5423 -19.5423 -19.5412 -19.5412 -18.9345 -18.9345 -18.9277 -18.9277 -18.7885 -18.7885 -18.7828 -18.7828 8.9779 8.9779 8.9779 8.9779 10.5932 10.5932 10.6030 10.6030 11.3863 11.3863 11.4028 11.4028 11.9917 11.9917 12.0236 12.0236 12.1791 12.1791 12.1902 12.1902 12.5631 12.5631 12.5730 12.5730 13.3989 13.3989 13.4169 13.4169 14.4099 14.4099 14.4145 14.4145 15.3730 15.3730 15.3780 15.3780 k = 0.5000-0.0000 0.1657 ( 4456 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5417 -19.5417 -19.5407 -19.5407 -18.9341 -18.9341 -18.9275 -18.9275 -18.7892 -18.7892 -18.7836 -18.7836 8.9455 8.9455 8.9456 8.9456 10.5948 10.5948 10.6042 10.6042 11.3867 11.3867 11.4025 11.4025 11.9940 11.9940 12.0246 12.0246 12.1917 12.1917 12.2028 12.2028 12.5632 12.5632 12.5725 12.5725 13.4208 13.4208 13.4385 13.4385 14.4376 14.4376 14.4415 14.4415 15.3638 15.3638 15.3686 15.3686 k = 0.5000-0.0000 0.1530 ( 4460 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5411 -19.5411 -19.5401 -19.5401 -18.9336 -18.9336 -18.9273 -18.9273 -18.7898 -18.7898 -18.7844 -18.7844 8.9152 8.9152 8.9152 8.9152 10.5962 10.5962 10.6052 10.6052 11.3872 11.3872 11.4023 11.4023 11.9958 11.9958 12.0248 12.0248 12.2035 12.2035 12.2144 12.2144 12.5632 12.5632 12.5720 12.5720 13.4415 13.4415 13.4588 13.4588 14.4667 14.4667 14.4700 14.4700 15.3529 15.3529 15.3575 15.3575 k = 0.5000-0.0000 0.1402 ( 4462 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5406 -19.5406 -19.5396 -19.5396 -18.9332 -18.9332 -18.9271 -18.9271 -18.7903 -18.7903 -18.7852 -18.7852 8.8868 8.8868 8.8869 8.8869 10.5975 10.5975 10.6060 10.6060 11.3878 11.3878 11.4021 11.4021 11.9972 11.9972 12.0245 12.0245 12.2143 12.2143 12.2250 12.2250 12.5633 12.5633 12.5713 12.5713 13.4610 13.4610 13.4777 13.4777 14.4970 14.4970 14.4996 14.4996 15.3404 15.3404 15.3448 15.3448 k = 0.5000-0.0000 0.1275 ( 4464 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5401 -19.5401 -19.5392 -19.5392 -18.9327 -18.9327 -18.9270 -18.9270 -18.7908 -18.7908 -18.7860 -18.7860 8.8607 8.8607 8.8607 8.8607 10.5986 10.5986 10.6066 10.6066 11.3885 11.3885 11.4019 11.4019 11.9982 11.9982 12.0237 12.0237 12.2242 12.2242 12.2344 12.2344 12.5632 12.5632 12.5706 12.5706 13.4791 13.4791 13.4949 13.4949 14.5282 14.5282 14.5301 14.5301 15.3263 15.3263 15.3305 15.3305 k = 0.5000-0.0000 0.1147 ( 4464 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5396 -19.5396 -19.5388 -19.5388 -18.9322 -18.9322 -18.9269 -18.9269 -18.7912 -18.7912 -18.7867 -18.7867 8.8368 8.8368 8.8368 8.8368 10.5997 10.5997 10.6070 10.6070 11.3893 11.3893 11.4017 11.4017 11.9991 11.9991 12.0225 12.0225 12.2332 12.2332 12.2428 12.2428 12.5632 12.5632 12.5698 12.5698 13.4957 13.4957 13.5105 13.5105 14.5597 14.5597 14.5611 14.5611 15.3108 15.3108 15.3148 15.3148 k = 0.5000-0.0000 0.1020 ( 4462 PWs) bands (ev): -42.8868 -42.8868 -42.8868 -42.8868 -19.5391 -19.5391 -19.5384 -19.5384 -18.9318 -18.9318 -18.9269 -18.9269 -18.7916 -18.7916 -18.7875 -18.7875 8.8153 8.8153 8.8153 8.8153 10.6006 10.6006 10.6073 10.6073 11.3902 11.3902 11.4014 11.4014 11.9998 11.9998 12.0210 12.0210 12.2412 12.2412 12.2501 12.2501 12.5632 12.5632 12.5690 12.5690 13.5109 13.5109 13.5245 13.5245 14.5913 14.5913 14.5922 14.5922 15.2942 15.2942 15.2979 15.2979 k = 0.5000-0.0000 0.0892 ( 4464 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5387 -19.5387 -19.5380 -19.5380 -18.9313 -18.9313 -18.9269 -18.9269 -18.7919 -18.7919 -18.7882 -18.7882 8.7961 8.7961 8.7961 8.7961 10.6015 10.6015 10.6075 10.6075 11.3911 11.3911 11.4012 11.4012 12.0004 12.0004 12.0193 12.0193 12.2483 12.2483 12.2564 12.2564 12.5631 12.5631 12.5682 12.5682 13.5244 13.5244 13.5367 13.5367 14.6223 14.6223 14.6228 14.6228 15.2767 15.2767 15.2802 15.2802 k = 0.5000-0.0000 0.0765 ( 4462 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5383 -19.5383 -19.5378 -19.5378 -18.9308 -18.9308 -18.9270 -18.9270 -18.7921 -18.7921 -18.7888 -18.7888 8.7794 8.7794 8.7794 8.7794 10.6023 10.6023 10.6075 10.6075 11.3921 11.3921 11.4008 11.4008 12.0010 12.0010 12.0175 12.0175 12.2545 12.2545 12.2617 12.2617 12.5631 12.5631 12.5675 12.5675 13.5363 13.5363 13.5471 13.5471 14.6521 14.6521 14.6523 14.6523 15.2589 15.2589 15.2621 15.2621 k = 0.5000-0.0000 0.0637 ( 4464 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5380 -19.5380 -19.5375 -19.5375 -18.9304 -18.9304 -18.9271 -18.9271 -18.7922 -18.7922 -18.7894 -18.7894 8.7652 8.7652 8.7652 8.7652 10.6031 10.6031 10.6075 10.6075 11.3930 11.3930 11.4005 11.4005 12.0017 12.0017 12.0156 12.0156 12.2599 12.2599 12.2659 12.2659 12.5631 12.5631 12.5667 12.5667 13.5466 13.5466 13.5558 13.5558 14.6800 14.6800 14.6801 14.6801 15.2413 15.2413 15.2442 15.2442 k = 0.5000-0.0000 0.0510 ( 4468 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5377 -19.5377 -19.5373 -19.5373 -18.9299 -18.9299 -18.9272 -18.9272 -18.7923 -18.7923 -18.7900 -18.7900 8.7535 8.7535 8.7535 8.7535 10.6038 10.6038 10.6073 10.6073 11.3940 11.3940 11.4000 11.4000 12.0025 12.0025 12.0137 12.0137 12.2643 12.2643 12.2693 12.2693 12.5632 12.5632 12.5661 12.5661 13.5552 13.5552 13.5627 13.5627 14.7050 14.7050 14.7052 14.7052 15.2248 15.2248 15.2272 15.2272 k = 0.5000-0.0000 0.0382 ( 4464 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5375 -19.5375 -19.5372 -19.5372 -18.9295 -18.9295 -18.9274 -18.9274 -18.7923 -18.7923 -18.7905 -18.7905 8.7444 8.7444 8.7444 8.7444 10.6044 10.6044 10.6071 10.6071 11.3949 11.3949 11.3995 11.3995 12.0034 12.0034 12.0119 12.0119 12.2679 12.2679 12.2717 12.2717 12.5633 12.5633 12.5654 12.5654 13.5622 13.5622 13.5678 13.5678 14.7263 14.7263 14.7266 14.7266 15.2103 15.2103 15.2123 15.2123 k = 0.5000-0.0000 0.0255 ( 4460 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5373 -19.5373 -19.5371 -19.5371 -18.9291 -18.9291 -18.9277 -18.9277 -18.7922 -18.7922 -18.7910 -18.7910 8.7379 8.7379 8.7379 8.7379 10.6050 10.6050 10.6068 10.6068 11.3958 11.3958 11.3989 11.3989 12.0044 12.0044 12.0101 12.0101 12.2707 12.2707 12.2732 12.2732 12.5635 12.5635 12.5649 12.5649 13.5674 13.5674 13.5712 13.5712 14.7427 14.7427 14.7430 14.7430 15.1990 15.1990 15.2003 15.2003 k = 0.5000-0.0000 0.0127 ( 4462 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5372 -19.5372 -19.5371 -19.5371 -18.9287 -18.9287 -18.9280 -18.9280 -18.7920 -18.7920 -18.7914 -18.7914 8.7339 8.7339 8.7340 8.7340 10.6055 10.6055 10.6064 10.6064 11.3967 11.3967 11.3982 11.3982 12.0056 12.0056 12.0085 12.0085 12.2726 12.2726 12.2739 12.2739 12.5637 12.5637 12.5644 12.5644 13.5710 13.5710 13.5729 13.5729 14.7532 14.7532 14.7534 14.7534 15.1917 15.1917 15.1924 15.1924 k = 0.5000-0.0000-0.0000 ( 4462 PWs) bands (ev): -42.8869 -42.8869 -42.8869 -42.8869 -19.5371 -19.5371 -19.5371 -19.5371 -18.9283 -18.9283 -18.9283 -18.9283 -18.7917 -18.7917 -18.7917 -18.7917 8.7326 8.7326 8.7326 8.7326 10.6060 10.6060 10.6060 10.6060 11.3975 11.3975 11.3975 11.3975 12.0070 12.0070 12.0070 12.0070 12.2737 12.2737 12.2737 12.2737 12.5640 12.5640 12.5640 12.5640 13.5728 13.5728 13.5728 13.5728 14.7569 14.7569 14.7569 14.7569 15.1894 15.1894 15.1894 15.1894 k = 0.0000 0.0000 0.4462 ( 4460 PWs) bands (ev): -42.9010 -42.9010 -42.8737 -42.8737 -19.5631 -19.5631 -19.4971 -19.4971 -18.9648 -18.9648 -18.8793 -18.8793 -18.8110 -18.8110 -18.7816 -18.7816 8.0057 8.0057 8.7443 8.7443 10.5784 10.5784 10.7908 10.7908 11.0781 11.0781 11.4977 11.4977 11.6797 11.6797 11.9382 11.9382 12.0949 12.0949 12.2716 12.2716 12.4142 12.4142 12.5636 12.5636 13.4656 13.4656 14.3227 14.3227 14.3792 14.3792 14.5578 14.5578 14.7243 14.7243 15.5944 15.5944 k = 0.0128-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.9010 -42.9010 -42.8737 -42.8737 -19.5631 -19.5631 -19.4971 -19.4971 -18.9647 -18.9647 -18.8793 -18.8793 -18.8110 -18.8110 -18.7816 -18.7816 8.0071 8.0071 8.7457 8.7457 10.5791 10.5791 10.7911 10.7911 11.0782 11.0782 11.4977 11.4977 11.6802 11.6802 11.9370 11.9370 12.0937 12.0937 12.2732 12.2732 12.4140 12.4140 12.5633 12.5633 13.4648 13.4648 14.3198 14.3198 14.3780 14.3780 14.5577 14.5577 14.7270 14.7270 15.5948 15.5948 k = 0.0256-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.9010 -42.9010 -42.8737 -42.8737 -19.5631 -19.5631 -19.4973 -19.4973 -18.9647 -18.9647 -18.8796 -18.8796 -18.8108 -18.8108 -18.7815 -18.7815 8.0113 8.0113 8.7499 8.7499 10.5811 10.5811 10.7917 10.7917 11.0784 11.0784 11.4976 11.4976 11.6818 11.6818 11.9334 11.9334 12.0905 12.0905 12.2779 12.2779 12.4133 12.4133 12.5625 12.5625 13.4623 13.4623 14.3114 14.3114 14.3746 14.3746 14.5575 14.5575 14.7352 14.7352 15.5959 15.5959 k = 0.0385-0.0000 0.4462 ( 4470 PWs) bands (ev): -42.9009 -42.9009 -42.8738 -42.8738 -19.5631 -19.5631 -19.4976 -19.4976 -18.9646 -18.9646 -18.8800 -18.8800 -18.8104 -18.8104 -18.7814 -18.7814 8.0183 8.0183 8.7568 8.7568 10.5845 10.5845 10.7928 10.7928 11.0789 11.0789 11.4975 11.4975 11.6844 11.6844 11.9274 11.9274 12.0854 12.0854 12.2852 12.2852 12.4120 12.4120 12.5611 12.5611 13.4583 13.4583 14.2975 14.2975 14.3692 14.3692 14.5569 14.5569 14.7485 14.7485 15.5976 15.5976 k = 0.0513-0.0000 0.4462 ( 4468 PWs) bands (ev): -42.9008 -42.9008 -42.8738 -42.8738 -19.5632 -19.5632 -19.4980 -19.4980 -18.9644 -18.9644 -18.8806 -18.8806 -18.8100 -18.8100 -18.7812 -18.7812 8.0281 8.0281 8.7665 8.7665 10.5892 10.5892 10.7943 10.7943 11.0795 11.0795 11.4973 11.4973 11.6880 11.6880 11.9193 11.9193 12.0790 12.0790 12.2947 12.2947 12.4103 12.4103 12.5592 12.5592 13.4529 13.4529 14.2785 14.2785 14.3625 14.3625 14.5556 14.5556 14.7663 14.7663 15.5998 15.5998 k = 0.0641-0.0000 0.4462 ( 4470 PWs) bands (ev): -42.9007 -42.9007 -42.8739 -42.8739 -19.5632 -19.5632 -19.4986 -19.4986 -18.9643 -18.9643 -18.8813 -18.8813 -18.8094 -18.8094 -18.7810 -18.7810 8.0406 8.0406 8.7789 8.7789 10.5953 10.5953 10.7959 10.7959 11.0804 11.0804 11.4971 11.4971 11.6925 11.6925 11.9090 11.9090 12.0717 12.0717 12.3058 12.3058 12.4081 12.4081 12.5568 12.5568 13.4461 13.4461 14.2549 14.2549 14.3547 14.3547 14.5534 14.5534 14.7881 14.7881 15.6023 15.6023 k = 0.0769-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.9006 -42.9006 -42.8740 -42.8740 -19.5633 -19.5633 -19.4993 -19.4993 -18.9641 -18.9641 -18.8822 -18.8822 -18.8087 -18.8087 -18.7808 -18.7808 8.0559 8.0559 8.7940 8.7940 10.6026 10.6026 10.7978 10.7978 11.0817 11.0817 11.4970 11.4970 11.6979 11.6979 11.8968 11.8968 12.0639 12.0639 12.3179 12.3179 12.4055 12.4055 12.5540 12.5540 13.4382 13.4382 14.2269 14.2269 14.3463 14.3463 14.5502 14.5502 14.8135 14.8135 15.6049 15.6049 k = 0.0897-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.9004 -42.9004 -42.8741 -42.8741 -19.5633 -19.5633 -19.5000 -19.5000 -18.9638 -18.9638 -18.8832 -18.8832 -18.8079 -18.8079 -18.7805 -18.7805 8.0740 8.0740 8.8118 8.8118 10.6112 10.6112 10.7996 10.7996 11.0833 11.0833 11.4968 11.4968 11.7039 11.7039 11.8828 11.8828 12.0559 12.0559 12.3302 12.3302 12.4028 12.4028 12.5507 12.5507 13.4292 13.4292 14.1951 14.1951 14.3375 14.3375 14.5459 14.5459 14.8417 14.8417 15.6072 15.6072 k = 0.1026-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.9003 -42.9003 -42.8743 -42.8743 -19.5634 -19.5634 -19.5009 -19.5009 -18.9635 -18.9635 -18.8843 -18.8843 -18.8070 -18.8070 -18.7802 -18.7802 8.0947 8.0947 8.8323 8.8323 10.6210 10.6210 10.8012 10.8012 11.0855 11.0855 11.4967 11.4967 11.7103 11.7103 11.8676 11.8676 12.0479 12.0479 12.3416 12.3416 12.4008 12.4008 12.5470 12.5470 13.4194 13.4194 14.1597 14.1597 14.3286 14.3286 14.5404 14.5404 14.8725 14.8725 15.6092 15.6092 k = 0.1154-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.9000 -42.9000 -42.8745 -42.8745 -19.5634 -19.5634 -19.5019 -19.5019 -18.9632 -18.9632 -18.8856 -18.8856 -18.8060 -18.8060 -18.7798 -18.7798 8.1181 8.1181 8.8553 8.8553 10.6319 10.6319 10.8023 10.8023 11.0882 11.0882 11.4967 11.4967 11.7167 11.7167 11.8515 11.8515 12.0402 12.0402 12.3501 12.3501 12.4011 12.4011 12.5431 12.5431 13.4089 13.4089 14.1212 14.1212 14.3198 14.3198 14.5337 14.5337 14.9053 14.9053 15.6104 15.6104 k = 0.1282-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8998 -42.8998 -42.8746 -42.8746 -19.5635 -19.5635 -19.5030 -19.5030 -18.9628 -18.9628 -18.8869 -18.8869 -18.8050 -18.8050 -18.7794 -18.7794 8.1442 8.1442 8.8808 8.8808 10.6440 10.6440 10.8029 10.8029 11.0917 11.0917 11.4968 11.4968 11.7222 11.7222 11.8357 11.8357 12.0328 12.0328 12.3531 12.3531 12.4059 12.4059 12.5391 12.5391 13.3979 13.3979 14.0799 14.0799 14.3111 14.3111 14.5259 14.5259 14.9398 14.9398 15.6108 15.6108 k = 0.1410-0.0000 0.4462 ( 4462 PWs) bands (ev): -42.8996 -42.8996 -42.8748 -42.8748 -19.5635 -19.5635 -19.5042 -19.5042 -18.9624 -18.9624 -18.8883 -18.8883 -18.8039 -18.8039 -18.7790 -18.7790 8.1728 8.1728 8.9089 8.9089 10.6572 10.6572 10.8024 10.8024 11.0962 11.0962 11.4970 11.4970 11.7248 11.7248 11.8220 11.8220 12.0259 12.0259 12.3502 12.3502 12.4152 12.4152 12.5352 12.5352 13.3865 13.3865 14.0362 14.0362 14.3025 14.3025 14.5171 14.5171 14.9755 14.9755 15.6101 15.6101 k = 0.1538-0.0000 0.4462 ( 4466 PWs) bands (ev): -42.8993 -42.8993 -42.8751 -42.8751 -19.5636 -19.5636 -19.5055 -19.5055 -18.9620 -18.9620 -18.8898 -18.8898 -18.8028 -18.8028 -18.7786 -18.7786 8.2041 8.2041 8.9393 8.9393 10.6713 10.6713 10.8008 10.8008 11.1017 11.1017 11.4973 11.4973 11.7220 11.7220 11.8132 11.8132 12.0195 12.0195 12.3431 12.3431 12.4268 12.4268 12.5318 12.5318 13.3747 13.3747 13.9903 13.9903 14.2942 14.2942 14.5072 14.5072 15.0121 15.0121 15.6082 15.6082 k = 0.1667-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.8990 -42.8990 -42.8753 -42.8753 -19.5636 -19.5636 -19.5069 -19.5069 -18.9615 -18.9615 -18.8914 -18.8914 -18.8016 -18.8016 -18.7781 -18.7781 8.2378 8.2378 8.9721 8.9721 10.6863 10.6863 10.7978 10.7978 11.1083 11.1083 11.4978 11.4978 11.7116 11.7116 11.8116 11.8116 12.0136 12.0136 12.3332 12.3332 12.4386 12.4386 12.5294 12.5294 13.3627 13.3627 13.9425 13.9425 14.2862 14.2862 14.4966 14.4966 15.0494 15.0494 15.6050 15.6050 k = 0.1795-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8987 -42.8987 -42.8756 -42.8756 -19.5636 -19.5636 -19.5083 -19.5083 -18.9610 -18.9610 -18.8930 -18.8930 -18.8004 -18.8004 -18.7777 -18.7777 8.2740 8.2740 9.0071 9.0071 10.7021 10.7021 10.7930 10.7930 11.1164 11.1164 11.4985 11.4985 11.6942 11.6942 11.8165 11.8165 12.0084 12.0084 12.3211 12.3211 12.4491 12.4491 12.5289 12.5289 13.3505 13.3505 13.8932 13.8932 14.2786 14.2786 14.4851 14.4851 15.0868 15.0868 15.6004 15.6004 k = 0.1923-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8984 -42.8984 -42.8758 -42.8758 -19.5636 -19.5636 -19.5098 -19.5098 -18.9604 -18.9604 -18.8947 -18.8947 -18.7991 -18.7991 -18.7772 -18.7772 8.3127 8.3127 9.0443 9.0443 10.7186 10.7186 10.7864 10.7864 11.1258 11.1258 11.4993 11.4993 11.6723 11.6723 11.8256 11.8256 12.0039 12.0039 12.3074 12.3074 12.4569 12.4569 12.5312 12.5312 13.3381 13.3381 13.8427 13.8427 14.2712 14.2712 14.4730 14.4730 15.1243 15.1243 15.5944 15.5944 k = 0.2051-0.0000 0.4462 ( 4454 PWs) bands (ev): -42.8980 -42.8980 -42.8761 -42.8761 -19.5636 -19.5636 -19.5114 -19.5114 -18.9598 -18.9598 -18.8964 -18.8964 -18.7979 -18.7979 -18.7768 -18.7768 8.3536 8.3536 9.0835 9.0835 10.7355 10.7355 10.7777 10.7777 11.1366 11.1366 11.5000 11.5000 11.6477 11.6477 11.8373 11.8373 12.0001 12.0001 12.2921 12.2921 12.4609 12.4609 12.5370 12.5370 13.3257 13.3257 13.7912 13.7912 14.2642 14.2642 14.4604 14.4604 15.1613 15.1613 15.5871 15.5871 k = 0.2179-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8977 -42.8977 -42.8765 -42.8765 -19.5636 -19.5636 -19.5130 -19.5130 -18.9592 -18.9592 -18.8982 -18.8982 -18.7966 -18.7966 -18.7763 -18.7763 8.3969 8.3969 9.1247 9.1247 10.7519 10.7519 10.7678 10.7678 11.1489 11.1489 11.5006 11.5006 11.6217 11.6217 11.8505 11.8505 11.9970 11.9970 12.2754 12.2754 12.4616 12.4616 12.5459 12.5459 13.3132 13.3132 13.7391 13.7391 14.2575 14.2575 14.4472 14.4472 15.1975 15.1975 15.5786 15.5786 k = 0.2308-0.0000 0.4462 ( 4462 PWs) bands (ev): -42.8973 -42.8973 -42.8768 -42.8768 -19.5635 -19.5635 -19.5147 -19.5147 -18.9585 -18.9585 -18.8999 -18.8999 -18.7953 -18.7953 -18.7759 -18.7759 8.4423 8.4423 9.1677 9.1677 10.7511 10.7511 10.7728 10.7728 11.1626 11.1626 11.5004 11.5004 11.5955 11.5955 11.8646 11.8646 11.9946 11.9946 12.2574 12.2574 12.4599 12.4599 12.5569 12.5569 13.3005 13.3005 13.6868 13.6868 14.2512 14.2512 14.4338 14.4338 15.2327 15.2327 15.5689 15.5689 k = 0.2436-0.0000 0.4462 ( 4462 PWs) bands (ev): -42.8969 -42.8969 -42.8771 -42.8771 -19.5634 -19.5634 -19.5165 -19.5165 -18.9578 -18.9578 -18.9017 -18.9017 -18.7941 -18.7941 -18.7754 -18.7754 8.4899 8.4899 9.2124 9.2124 10.7360 10.7360 10.7898 10.7898 11.1777 11.1777 11.4984 11.4984 11.5706 11.5706 11.8790 11.8790 11.9932 11.9932 12.2383 12.2383 12.4567 12.4567 12.5689 12.5689 13.2878 13.2878 13.6344 13.6344 14.2452 14.2452 14.4200 14.4200 15.2664 15.2664 15.5583 15.5583 k = 0.2564-0.0000 0.4462 ( 4458 PWs) bands (ev): -42.8964 -42.8964 -42.8775 -42.8775 -19.5633 -19.5633 -19.5182 -19.5182 -18.9571 -18.9571 -18.9035 -18.9035 -18.7928 -18.7928 -18.7750 -18.7750 8.5395 8.5395 9.2585 9.2585 10.7178 10.7178 10.8072 10.8072 11.1939 11.1939 11.4918 11.4918 11.5502 11.5502 11.8934 11.8934 11.9926 11.9926 12.2181 12.2181 12.4529 12.4529 12.5810 12.5810 13.2750 13.2750 13.5825 13.5825 14.2396 14.2396 14.4061 14.4061 15.2983 15.2983 15.5469 15.5469 k = 0.2692-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8960 -42.8960 -42.8779 -42.8779 -19.5631 -19.5631 -19.5200 -19.5200 -18.9563 -18.9563 -18.9053 -18.9053 -18.7915 -18.7915 -18.7746 -18.7746 8.5910 8.5910 9.3061 9.3061 10.6972 10.6972 10.8241 10.8241 11.2112 11.2112 11.4771 11.4771 11.5382 11.5382 11.9073 11.9073 11.9932 11.9932 12.1970 12.1970 12.4489 12.4489 12.5928 12.5928 13.2620 13.2620 13.5314 13.5314 14.2344 14.2344 14.3922 14.3922 15.3280 15.3280 15.5349 15.5349 k = 0.2821-0.0000 0.4462 ( 4458 PWs) bands (ev): -42.8956 -42.8956 -42.8783 -42.8783 -19.5629 -19.5629 -19.5219 -19.5219 -18.9555 -18.9555 -18.9072 -18.9072 -18.7903 -18.7903 -18.7742 -18.7742 8.6444 8.6444 9.3547 9.3547 10.6742 10.6742 10.8399 10.8399 11.2293 11.2293 11.4557 11.4557 11.5336 11.5336 11.9202 11.9202 11.9950 11.9950 12.1751 12.1751 12.4451 12.4451 12.6040 12.6040 13.2489 13.2489 13.4813 13.4813 14.2295 14.2295 14.3782 14.3782 15.3551 15.3551 15.5225 15.5225 k = 0.2949-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8951 -42.8951 -42.8787 -42.8787 -19.5626 -19.5626 -19.5237 -19.5237 -18.9546 -18.9546 -18.9090 -18.9090 -18.7891 -18.7891 -18.7739 -18.7739 8.6996 8.6996 9.4042 9.4042 10.6489 10.6489 10.8542 10.8542 11.2478 11.2478 11.4319 11.4319 11.5329 11.5329 11.9316 11.9316 11.9982 11.9982 12.1526 12.1526 12.4418 12.4418 12.6142 12.6142 13.2358 13.2358 13.4328 13.4328 14.2249 14.2249 14.3643 14.3643 15.3792 15.3792 15.5099 15.5099 k = 0.3077-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8946 -42.8946 -42.8791 -42.8791 -19.5623 -19.5623 -19.5256 -19.5256 -18.9537 -18.9537 -18.9108 -18.9108 -18.7879 -18.7879 -18.7736 -18.7736 8.7563 8.7563 9.4543 9.4543 10.6215 10.6215 10.8662 10.8662 11.2662 11.2662 11.4090 11.4090 11.5339 11.5339 11.9412 11.9412 12.0029 12.0029 12.1296 12.1296 12.4392 12.4392 12.6232 12.6232 13.2225 13.2225 13.3860 13.3860 14.2208 14.2208 14.3505 14.3505 15.4001 15.4001 15.4973 15.4973 k = 0.3205-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8941 -42.8941 -42.8795 -42.8795 -19.5620 -19.5620 -19.5274 -19.5274 -18.9528 -18.9528 -18.9126 -18.9126 -18.7867 -18.7867 -18.7733 -18.7733 8.8145 8.8145 9.5047 9.5047 10.5922 10.5922 10.8750 10.8750 11.2834 11.2834 11.3895 11.3895 11.5355 11.5355 11.9487 11.9487 12.0087 12.0087 12.1066 12.1066 12.4375 12.4375 12.6309 12.6309 13.2092 13.2092 13.3414 13.3414 14.2169 14.2169 14.3370 14.3370 15.4173 15.4173 15.4848 15.4848 k = 0.3333-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8936 -42.8936 -42.8800 -42.8800 -19.5616 -19.5616 -19.5293 -19.5293 -18.9518 -18.9518 -18.9144 -18.9144 -18.7856 -18.7856 -18.7731 -18.7731 8.8741 8.8741 9.5549 9.5549 10.5614 10.5614 10.8798 10.8798 11.2969 11.2969 11.3771 11.3771 11.5374 11.5374 11.9541 11.9541 12.0145 12.0145 12.0843 12.0843 12.4371 12.4371 12.6371 12.6371 13.1958 13.1958 13.2994 13.2994 14.2134 14.2134 14.3238 14.3238 15.4306 15.4306 15.4727 15.4727 k = 0.3462-0.0000 0.4462 ( 4454 PWs) bands (ev): -42.8931 -42.8931 -42.8804 -42.8804 -19.5611 -19.5611 -19.5311 -19.5311 -18.9508 -18.9508 -18.9162 -18.9162 -18.7845 -18.7845 -18.7729 -18.7729 8.9348 8.9348 9.6043 9.6043 10.5295 10.5295 10.8795 10.8795 11.3035 11.3035 11.3757 11.3757 11.5393 11.5393 11.9576 11.9576 12.0182 12.0182 12.0647 12.0647 12.4381 12.4381 12.6417 12.6417 13.1824 13.1824 13.2602 13.2602 14.2102 14.2102 14.3110 14.3110 15.4399 15.4399 15.4611 15.4611 k = 0.3590-0.0000 0.4462 ( 4454 PWs) bands (ev): -42.8926 -42.8926 -42.8809 -42.8809 -19.5606 -19.5606 -19.5329 -19.5329 -18.9498 -18.9498 -18.9180 -18.9180 -18.7834 -18.7834 -18.7728 -18.7728 8.9966 8.9966 9.6523 9.6523 10.4971 10.4971 10.8733 10.8733 11.3037 11.3037 11.3854 11.3854 11.5414 11.5414 11.9585 11.9585 12.0151 12.0151 12.0529 12.0529 12.4407 12.4407 12.6445 12.6445 13.1691 13.1691 13.2241 13.2241 14.2074 14.2074 14.2986 14.2986 15.4441 15.4441 15.4514 15.4514 k = 0.3718-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8921 -42.8921 -42.8814 -42.8814 -19.5600 -19.5600 -19.5347 -19.5347 -18.9487 -18.9487 -18.9197 -18.9197 -18.7824 -18.7824 -18.7727 -18.7727 9.0592 9.0592 9.6978 9.6978 10.4651 10.4651 10.8606 10.8606 11.3029 11.3029 11.4009 11.4009 11.5438 11.5438 11.9546 11.9546 12.0051 12.0051 12.0510 12.0510 12.4450 12.4450 12.6455 12.6455 13.1558 13.1558 13.1916 13.1916 14.2049 14.2049 14.2867 14.2867 15.4377 15.4377 15.4493 15.4493 k = 0.3846-0.0000 0.4462 ( 4452 PWs) bands (ev): -42.8916 -42.8916 -42.8819 -42.8819 -19.5593 -19.5593 -19.5365 -19.5365 -18.9476 -18.9476 -18.9214 -18.9214 -18.7814 -18.7814 -18.7726 -18.7726 9.1224 9.1224 9.7395 9.7395 10.4348 10.4348 10.8415 10.8415 11.3045 11.3045 11.4179 11.4179 11.5470 11.5470 11.9426 11.9426 11.9978 11.9978 12.0529 12.0529 12.4510 12.4510 12.6446 12.6446 13.1426 13.1426 13.1628 13.1628 14.2028 14.2028 14.2754 14.2754 15.4282 15.4282 15.4477 15.4477 k = 0.3974-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8910 -42.8910 -42.8824 -42.8824 -19.5586 -19.5586 -19.5383 -19.5383 -18.9464 -18.9464 -18.9232 -18.9232 -18.7804 -18.7804 -18.7726 -18.7726 9.1861 9.1861 9.7756 9.7756 10.4079 10.4079 10.8165 10.8165 11.3095 11.3095 11.4338 11.4338 11.5520 11.5520 11.9229 11.9229 11.9961 11.9961 12.0550 12.0550 12.4588 12.4588 12.6417 12.6417 13.1291 13.1291 13.1385 13.1385 14.2011 14.2011 14.2647 14.2647 15.4193 15.4193 15.4438 15.4438 k = 0.4103-0.0000 0.4462 ( 4464 PWs) bands (ev): -42.8905 -42.8905 -42.8829 -42.8829 -19.5579 -19.5579 -19.5400 -19.5400 -18.9452 -18.9452 -18.9248 -18.9248 -18.7795 -18.7795 -18.7727 -18.7727 9.2500 9.2500 9.8037 9.8037 10.3867 10.3867 10.7863 10.7863 11.3178 11.3178 11.4463 11.4463 11.5601 11.5601 11.8992 11.8992 11.9979 11.9979 12.0562 12.0562 12.4682 12.4682 12.6369 12.6369 13.1132 13.1132 13.1208 13.1208 14.1999 14.1999 14.2547 14.2547 15.4112 15.4112 15.4379 15.4379 k = 0.4231-0.0000 0.4462 ( 4458 PWs) bands (ev): -42.8899 -42.8899 -42.8834 -42.8834 -19.5570 -19.5570 -19.5416 -19.5416 -18.9440 -18.9440 -18.9265 -18.9265 -18.7787 -18.7787 -18.7728 -18.7728 9.3137 9.3137 9.8212 9.8212 10.3740 10.3740 10.7518 10.7518 11.3288 11.3288 11.4539 11.4539 11.5724 11.5724 11.8735 11.8735 12.0014 12.0014 12.0561 12.0561 12.4791 12.4791 12.6303 12.6303 13.0966 13.0966 13.1082 13.1082 14.1991 14.1991 14.2455 14.2455 15.4042 15.4042 15.4306 15.4306 k = 0.4359-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8894 -42.8894 -42.8839 -42.8839 -19.5561 -19.5561 -19.5432 -19.5432 -18.9427 -18.9427 -18.9281 -18.9281 -18.7779 -18.7779 -18.7730 -18.7730 9.3770 9.3770 9.8257 9.8257 10.3718 10.3718 10.7140 10.7140 11.3418 11.3418 11.4562 11.4562 11.5892 11.5892 11.8468 11.8468 12.0059 12.0059 12.0547 12.0547 12.4912 12.4912 12.6219 12.6219 13.0830 13.0830 13.0972 13.0972 14.1989 14.1989 14.2370 14.2370 15.3983 15.3983 15.4227 15.4227 k = 0.4487-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8888 -42.8888 -42.8844 -42.8844 -19.5551 -19.5551 -19.5448 -19.5448 -18.9414 -18.9414 -18.9297 -18.9297 -18.7772 -18.7772 -18.7732 -18.7732 9.4394 9.4394 9.8163 9.8163 10.3813 10.3813 10.6737 10.6737 11.3560 11.3560 11.4538 11.4538 11.6096 11.6096 11.8196 11.8196 12.0110 12.0110 12.0521 12.0521 12.5043 12.5043 12.6120 12.6120 13.0728 13.0728 13.0873 13.0873 14.1992 14.1992 14.2294 14.2294 15.3939 15.3939 15.4147 15.4147 k = 0.4615-0.0000 0.4462 ( 4454 PWs) bands (ev): -42.8883 -42.8883 -42.8850 -42.8850 -19.5540 -19.5540 -19.5463 -19.5463 -18.9401 -18.9401 -18.9313 -18.9313 -18.7765 -18.7765 -18.7735 -18.7735 9.5006 9.5006 9.7939 9.7939 10.4015 10.4015 10.6318 10.6318 11.3709 11.3709 11.4476 11.4476 11.6327 11.6327 11.7922 11.7922 12.0164 12.0164 12.0486 12.0486 12.5182 12.5182 12.6007 12.6007 13.0659 13.0659 13.0787 13.0787 14.2002 14.2002 14.2227 14.2227 15.3909 15.3909 15.4072 15.4072 k = 0.4744-0.0000 0.4462 ( 4454 PWs) bands (ev): -42.8877 -42.8877 -42.8855 -42.8855 -19.5529 -19.5529 -19.5478 -19.5478 -18.9387 -18.9387 -18.9328 -18.9328 -18.7758 -18.7758 -18.7739 -18.7739 9.5600 9.5600 9.7605 9.7605 10.4303 10.4303 10.5890 10.5890 11.3860 11.3860 11.4386 11.4386 11.6575 11.6575 11.7646 11.7646 12.0221 12.0221 12.0442 12.0442 12.5324 12.5324 12.5883 12.5883 13.0620 13.0620 13.0715 13.0715 14.2019 14.2019 14.2168 14.2168 15.3895 15.3895 15.4007 15.4007 k = 0.4872-0.0000 0.4462 ( 4456 PWs) bands (ev): -42.8872 -42.8872 -42.8861 -42.8861 -19.5517 -19.5517 -19.5491 -19.5491 -18.9373 -18.9373 -18.9344 -18.9344 -18.7753 -18.7753 -18.7743 -18.7743 9.6167 9.6167 9.7185 9.7185 10.4654 10.4654 10.5463 10.5463 11.4007 11.4007 11.4275 11.4275 11.6834 11.6834 11.7372 11.7372 12.0279 12.0279 12.0391 12.0391 12.5468 12.5468 12.5751 12.5751 13.0609 13.0609 13.0659 13.0659 14.2044 14.2044 14.2118 14.2118 15.3898 15.3898 15.3955 15.3955 k = 0.5000-0.0000 0.4462 ( 4460 PWs) bands (ev): -42.8866 -42.8866 -42.8866 -42.8866 -19.5505 -19.5505 -19.5505 -19.5505 -18.9358 -18.9358 -18.9358 -18.9358 -18.7747 -18.7747 -18.7747 -18.7747 9.6700 9.6700 9.6700 9.6700 10.5047 10.5047 10.5047 10.5047 11.4147 11.4147 11.4147 11.4147 11.7101 11.7101 11.7101 11.7101 12.0337 12.0337 12.0337 12.0337 12.5611 12.5611 12.5611 12.5611 13.0623 13.0623 13.0623 13.0623 14.2077 14.2077 14.2077 14.2077 15.3918 15.3918 15.3918 15.3918 Writing output data file TiNi.save init_run : 0.14s CPU 0.29s WALL ( 1 calls) electrons : 288.37s CPU 292.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 288.36s CPU 292.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 372 calls) cegterg : 277.45s CPU 281.40s WALL ( 800 calls) Called by sum_band: Called by *egterg: h_psi : 138.96s CPU 141.02s WALL ( 14613 calls) s_psi : 6.65s CPU 6.88s WALL ( 14613 calls) g_psi : 0.59s CPU 0.52s WALL ( 13441 calls) cdiaghg : 103.69s CPU 105.15s WALL ( 13813 calls) cegterg:over : 12.85s CPU 13.10s WALL ( 13441 calls) cegterg:upda : 10.91s CPU 11.15s WALL ( 13441 calls) cegterg:last : 6.36s CPU 6.29s WALL ( 2353 calls) cdiaghg:chol : 5.80s CPU 5.96s WALL ( 13813 calls) cdiaghg:inve : 3.93s CPU 4.03s WALL ( 13813 calls) cdiaghg:para : 6.24s CPU 6.23s WALL ( 27626 calls) Called by h_psi: h_psi:vloc : 115.48s CPU 117.52s WALL ( 14613 calls) h_psi:vnl : 23.01s CPU 23.01s WALL ( 14613 calls) add_vuspsi : 12.08s CPU 11.85s WALL ( 14613 calls) General routines calbec : 10.91s CPU 11.12s WALL ( 14613 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 109.10s CPU 111.11s WALL ( 1542224 calls) davcio : 0.21s CPU 0.23s WALL ( 744 calls) Parallel routines fft_scatter : 43.73s CPU 44.32s WALL ( 1542239 calls) PWSCF : 5m 6.97s CPU 5m28.66s WALL This run was terminated on: 21: 4:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=