Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 1 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: ./ZrTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 41 41 11 1731 1731 265 Max 42 42 12 1736 1736 274 Sum 1495 1495 431 62401 62401 9723 bravais-lattice index = 14 lattice parameter (alat) = 7.1286 a.u. unit-cell volume = 1306.4942 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.128613 celldm(2)= 1.840628 celldm(3)= 1.959415 celldm(4)= 0.000000 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 1.840628 0.000000 ) a(3) = ( 0.000000 0.000000 1.959415 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.543293 -0.000000 ) b(3) = ( 0.000000 0.000000 0.510356 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.9203139 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9797073 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.9203139 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9797073 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.9203139 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9797073 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.9203139 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9797073 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0027778 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0027778 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0027778 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0118107 -0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0236214 -0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.0354321 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.0472429 -0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.0590536 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.0708643 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.0826750 -0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.0944857 -0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.1062964 -0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.1181072 -0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.1299179 -0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.1417286 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.1535393 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.1653500 -0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.1771607 -0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.1889714 -0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.2007822 -0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.2125929 -0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.2244036 -0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.2362143 -0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.2480250 -0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.2598357 -0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.2716465 -0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.2716465 -0.0000000), wk = 0.0027778 k( 69) = ( 0.4880952 0.2716465 -0.0000000), wk = 0.0027778 k( 70) = ( 0.4761905 0.2716465 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4642857 0.2716465 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4523810 0.2716465 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4404762 0.2716465 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4285714 0.2716465 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4166667 0.2716465 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4047619 0.2716465 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3928571 0.2716465 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3809524 0.2716465 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3690476 0.2716465 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3571429 0.2716465 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3452381 0.2716465 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3333333 0.2716465 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3214286 0.2716465 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3095238 0.2716465 -0.0000000), wk = 0.0027778 k( 85) = ( 0.2976190 0.2716465 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2857143 0.2716465 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2738095 0.2716465 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2619048 0.2716465 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2500000 0.2716465 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2380952 0.2716465 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2261905 0.2716465 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2142857 0.2716465 -0.0000000), wk = 0.0027778 k( 93) = ( 0.2023810 0.2716465 -0.0000000), wk = 0.0027778 k( 94) = ( 0.1904762 0.2716465 -0.0000000), wk = 0.0027778 k( 95) = ( 0.1785714 0.2716465 -0.0000000), wk = 0.0027778 k( 96) = ( 0.1666667 0.2716465 -0.0000000), wk = 0.0027778 k( 97) = ( 0.1547619 0.2716465 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1428571 0.2716465 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1309524 0.2716465 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1190476 0.2716465 -0.0000000), wk = 0.0027778 k( 101) = ( 0.1071429 0.2716465 -0.0000000), wk = 0.0027778 k( 102) = ( 0.0952381 0.2716465 -0.0000000), wk = 0.0027778 k( 103) = ( 0.0833333 0.2716465 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0714286 0.2716465 -0.0000000), wk = 0.0027778 k( 105) = ( 0.0595238 0.2716465 -0.0000000), wk = 0.0027778 k( 106) = ( 0.0476191 0.2716465 -0.0000000), wk = 0.0027778 k( 107) = ( 0.0357143 0.2716465 -0.0000000), wk = 0.0027778 k( 108) = ( 0.0238095 0.2716465 -0.0000000), wk = 0.0027778 k( 109) = ( 0.0119048 0.2716465 -0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.2716465 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.2716465 -0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.2598357 -0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.2480250 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.2362143 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.2244036 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.2125929 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.2007822 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.1889714 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.1771607 -0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.1653500 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.1535393 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.1417286 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.1299179 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.1181072 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.1062964 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.0944857 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.0826750 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.0708643 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.0590536 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0472429 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0354321 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0236214 -0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0118107 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0115990), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0231980), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0347970), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0463960), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0579951), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0695941), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.0811931), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.0927921), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1043911), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1159901), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.1275891), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.1391881), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1507871), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.1623862), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.1739852), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.1855842), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.1971832), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.2087822), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.2203812), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.2319802), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.2435792), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.2551782), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.2551782), wk = 0.0027778 k( 159) = ( 0.0119048 -0.0000000 0.2551782), wk = 0.0027778 k( 160) = ( 0.0238095 -0.0000000 0.2551782), wk = 0.0027778 k( 161) = ( 0.0357143 -0.0000000 0.2551782), wk = 0.0027778 k( 162) = ( 0.0476191 -0.0000000 0.2551782), wk = 0.0027778 k( 163) = ( 0.0595238 -0.0000000 0.2551782), wk = 0.0027778 k( 164) = ( 0.0714286 -0.0000000 0.2551782), wk = 0.0027778 k( 165) = ( 0.0833333 -0.0000000 0.2551782), wk = 0.0027778 k( 166) = ( 0.0952381 -0.0000000 0.2551782), wk = 0.0027778 k( 167) = ( 0.1071429 -0.0000000 0.2551782), wk = 0.0027778 k( 168) = ( 0.1190476 -0.0000000 0.2551782), wk = 0.0027778 k( 169) = ( 0.1309524 -0.0000000 0.2551782), wk = 0.0027778 k( 170) = ( 0.1428571 -0.0000000 0.2551782), wk = 0.0027778 k( 171) = ( 0.1547619 -0.0000000 0.2551782), wk = 0.0027778 k( 172) = ( 0.1666667 -0.0000000 0.2551782), wk = 0.0027778 k( 173) = ( 0.1785714 -0.0000000 0.2551782), wk = 0.0027778 k( 174) = ( 0.1904762 -0.0000000 0.2551782), wk = 0.0027778 k( 175) = ( 0.2023810 -0.0000000 0.2551782), wk = 0.0027778 k( 176) = ( 0.2142857 -0.0000000 0.2551782), wk = 0.0027778 k( 177) = ( 0.2261905 -0.0000000 0.2551782), wk = 0.0027778 k( 178) = ( 0.2380952 -0.0000000 0.2551782), wk = 0.0027778 k( 179) = ( 0.2500000 -0.0000000 0.2551782), wk = 0.0027778 k( 180) = ( 0.2619048 -0.0000000 0.2551782), wk = 0.0027778 k( 181) = ( 0.2738095 -0.0000000 0.2551782), wk = 0.0027778 k( 182) = ( 0.2857143 -0.0000000 0.2551782), wk = 0.0027778 k( 183) = ( 0.2976190 -0.0000000 0.2551782), wk = 0.0027778 k( 184) = ( 0.3095238 -0.0000000 0.2551782), wk = 0.0027778 k( 185) = ( 0.3214286 -0.0000000 0.2551782), wk = 0.0027778 k( 186) = ( 0.3333333 -0.0000000 0.2551782), wk = 0.0027778 k( 187) = ( 0.3452381 -0.0000000 0.2551782), wk = 0.0027778 k( 188) = ( 0.3571429 -0.0000000 0.2551782), wk = 0.0027778 k( 189) = ( 0.3690476 -0.0000000 0.2551782), wk = 0.0027778 k( 190) = ( 0.3809524 -0.0000000 0.2551782), wk = 0.0027778 k( 191) = ( 0.3928571 -0.0000000 0.2551782), wk = 0.0027778 k( 192) = ( 0.4047619 -0.0000000 0.2551782), wk = 0.0027778 k( 193) = ( 0.4166667 -0.0000000 0.2551782), wk = 0.0027778 k( 194) = ( 0.4285714 -0.0000000 0.2551782), wk = 0.0027778 k( 195) = ( 0.4404762 -0.0000000 0.2551782), wk = 0.0027778 k( 196) = ( 0.4523810 -0.0000000 0.2551782), wk = 0.0027778 k( 197) = ( 0.4642857 -0.0000000 0.2551782), wk = 0.0027778 k( 198) = ( 0.4761905 -0.0000000 0.2551782), wk = 0.0027778 k( 199) = ( 0.4880952 -0.0000000 0.2551782), wk = 0.0027778 k( 200) = ( 0.5000000 -0.0000000 0.2551782), wk = 0.0027778 k( 201) = ( 0.5000000 -0.0000000 0.2551782), wk = 0.0027778 k( 202) = ( 0.5000000 0.0118107 0.2551782), wk = 0.0027778 k( 203) = ( 0.5000000 0.0236214 0.2551782), wk = 0.0027778 k( 204) = ( 0.5000000 0.0354321 0.2551782), wk = 0.0027778 k( 205) = ( 0.5000000 0.0472429 0.2551782), wk = 0.0027778 k( 206) = ( 0.5000000 0.0590536 0.2551782), wk = 0.0027778 k( 207) = ( 0.5000000 0.0708643 0.2551782), wk = 0.0027778 k( 208) = ( 0.5000000 0.0826750 0.2551782), wk = 0.0027778 k( 209) = ( 0.5000000 0.0944857 0.2551782), wk = 0.0027778 k( 210) = ( 0.5000000 0.1062964 0.2551782), wk = 0.0027778 k( 211) = ( 0.5000000 0.1181072 0.2551782), wk = 0.0027778 k( 212) = ( 0.5000000 0.1299179 0.2551782), wk = 0.0027778 k( 213) = ( 0.5000000 0.1417286 0.2551782), wk = 0.0027778 k( 214) = ( 0.5000000 0.1535393 0.2551782), wk = 0.0027778 k( 215) = ( 0.5000000 0.1653500 0.2551782), wk = 0.0027778 k( 216) = ( 0.5000000 0.1771607 0.2551782), wk = 0.0027778 k( 217) = ( 0.5000000 0.1889714 0.2551782), wk = 0.0027778 k( 218) = ( 0.5000000 0.2007822 0.2551782), wk = 0.0027778 k( 219) = ( 0.5000000 0.2125929 0.2551782), wk = 0.0027778 k( 220) = ( 0.5000000 0.2244036 0.2551782), wk = 0.0027778 k( 221) = ( 0.5000000 0.2362143 0.2551782), wk = 0.0027778 k( 222) = ( 0.5000000 0.2480250 0.2551782), wk = 0.0027778 k( 223) = ( 0.5000000 0.2598357 0.2551782), wk = 0.0027778 k( 224) = ( 0.5000000 0.2716465 0.2551782), wk = 0.0027778 k( 225) = ( 0.5000000 0.2716465 0.2551782), wk = 0.0027778 k( 226) = ( 0.4880952 0.2716465 0.2551782), wk = 0.0027778 k( 227) = ( 0.4761905 0.2716465 0.2551782), wk = 0.0027778 k( 228) = ( 0.4642857 0.2716465 0.2551782), wk = 0.0027778 k( 229) = ( 0.4523810 0.2716465 0.2551782), wk = 0.0027778 k( 230) = ( 0.4404762 0.2716465 0.2551782), wk = 0.0027778 k( 231) = ( 0.4285714 0.2716465 0.2551782), wk = 0.0027778 k( 232) = ( 0.4166667 0.2716465 0.2551782), wk = 0.0027778 k( 233) = ( 0.4047619 0.2716465 0.2551782), wk = 0.0027778 k( 234) = ( 0.3928571 0.2716465 0.2551782), wk = 0.0027778 k( 235) = ( 0.3809524 0.2716465 0.2551782), wk = 0.0027778 k( 236) = ( 0.3690476 0.2716465 0.2551782), wk = 0.0027778 k( 237) = ( 0.3571429 0.2716465 0.2551782), wk = 0.0027778 k( 238) = ( 0.3452381 0.2716465 0.2551782), wk = 0.0027778 k( 239) = ( 0.3333333 0.2716465 0.2551782), wk = 0.0027778 k( 240) = ( 0.3214286 0.2716465 0.2551782), wk = 0.0027778 k( 241) = ( 0.3095238 0.2716465 0.2551782), wk = 0.0027778 k( 242) = ( 0.2976190 0.2716465 0.2551782), wk = 0.0027778 k( 243) = ( 0.2857143 0.2716465 0.2551782), wk = 0.0027778 k( 244) = ( 0.2738095 0.2716465 0.2551782), wk = 0.0027778 k( 245) = ( 0.2619048 0.2716465 0.2551782), wk = 0.0027778 k( 246) = ( 0.2500000 0.2716465 0.2551782), wk = 0.0027778 k( 247) = ( 0.2380952 0.2716465 0.2551782), wk = 0.0027778 k( 248) = ( 0.2261905 0.2716465 0.2551782), wk = 0.0027778 k( 249) = ( 0.2142857 0.2716465 0.2551782), wk = 0.0027778 k( 250) = ( 0.2023810 0.2716465 0.2551782), wk = 0.0027778 k( 251) = ( 0.1904762 0.2716465 0.2551782), wk = 0.0027778 k( 252) = ( 0.1785714 0.2716465 0.2551782), wk = 0.0027778 k( 253) = ( 0.1666667 0.2716465 0.2551782), wk = 0.0027778 k( 254) = ( 0.1547619 0.2716465 0.2551782), wk = 0.0027778 k( 255) = ( 0.1428571 0.2716465 0.2551782), wk = 0.0027778 k( 256) = ( 0.1309524 0.2716465 0.2551782), wk = 0.0027778 k( 257) = ( 0.1190476 0.2716465 0.2551782), wk = 0.0027778 k( 258) = ( 0.1071429 0.2716465 0.2551782), wk = 0.0027778 k( 259) = ( 0.0952381 0.2716465 0.2551782), wk = 0.0027778 k( 260) = ( 0.0833333 0.2716465 0.2551782), wk = 0.0027778 k( 261) = ( 0.0714286 0.2716465 0.2551782), wk = 0.0027778 k( 262) = ( 0.0595238 0.2716465 0.2551782), wk = 0.0027778 k( 263) = ( 0.0476191 0.2716465 0.2551782), wk = 0.0027778 k( 264) = ( 0.0357143 0.2716465 0.2551782), wk = 0.0027778 k( 265) = ( 0.0238095 0.2716465 0.2551782), wk = 0.0027778 k( 266) = ( 0.0119048 0.2716465 0.2551782), wk = 0.0027778 k( 267) = ( 0.0000000 0.2716465 0.2551782), wk = 0.0027778 k( 268) = ( 0.0000000 0.2716465 0.2551782), wk = 0.0027778 k( 269) = ( 0.0000000 0.2598357 0.2551782), wk = 0.0027778 k( 270) = ( 0.0000000 0.2480250 0.2551782), wk = 0.0027778 k( 271) = ( 0.0000000 0.2362143 0.2551782), wk = 0.0027778 k( 272) = ( 0.0000000 0.2244036 0.2551782), wk = 0.0027778 k( 273) = ( 0.0000000 0.2125929 0.2551782), wk = 0.0027778 k( 274) = ( 0.0000000 0.2007822 0.2551782), wk = 0.0027778 k( 275) = ( 0.0000000 0.1889714 0.2551782), wk = 0.0027778 k( 276) = ( 0.0000000 0.1771607 0.2551782), wk = 0.0027778 k( 277) = ( 0.0000000 0.1653500 0.2551782), wk = 0.0027778 k( 278) = ( 0.0000000 0.1535393 0.2551782), wk = 0.0027778 k( 279) = ( 0.0000000 0.1417286 0.2551782), wk = 0.0027778 k( 280) = ( 0.0000000 0.1299179 0.2551782), wk = 0.0027778 k( 281) = ( 0.0000000 0.1181072 0.2551782), wk = 0.0027778 k( 282) = ( 0.0000000 0.1062964 0.2551782), wk = 0.0027778 k( 283) = ( 0.0000000 0.0944857 0.2551782), wk = 0.0027778 k( 284) = ( 0.0000000 0.0826750 0.2551782), wk = 0.0027778 k( 285) = ( 0.0000000 0.0708643 0.2551782), wk = 0.0027778 k( 286) = ( 0.0000000 0.0590536 0.2551782), wk = 0.0027778 k( 287) = ( 0.0000000 0.0472429 0.2551782), wk = 0.0027778 k( 288) = ( 0.0000000 0.0354321 0.2551782), wk = 0.0027778 k( 289) = ( 0.0000000 0.0236214 0.2551782), wk = 0.0027778 k( 290) = ( 0.0000000 0.0118107 0.2551782), wk = 0.0027778 k( 291) = ( 0.0000000 0.0000000 0.2551782), wk = 0.0027778 k( 292) = ( 0.0000000 0.2716465 -0.0000000), wk = 0.0027778 k( 293) = ( 0.0000000 0.2716465 0.0115990), wk = 0.0027778 k( 294) = ( 0.0000000 0.2716465 0.0231980), wk = 0.0027778 k( 295) = ( 0.0000000 0.2716465 0.0347970), wk = 0.0027778 k( 296) = ( 0.0000000 0.2716465 0.0463960), wk = 0.0027778 k( 297) = ( 0.0000000 0.2716465 0.0579951), wk = 0.0027778 k( 298) = ( 0.0000000 0.2716465 0.0695941), wk = 0.0027778 k( 299) = ( 0.0000000 0.2716465 0.0811931), wk = 0.0027778 k( 300) = ( 0.0000000 0.2716465 0.0927921), wk = 0.0027778 k( 301) = ( 0.0000000 0.2716465 0.1043911), wk = 0.0027778 k( 302) = ( 0.0000000 0.2716465 0.1159901), wk = 0.0027778 k( 303) = ( 0.0000000 0.2716465 0.1275891), wk = 0.0027778 k( 304) = ( 0.0000000 0.2716465 0.1391881), wk = 0.0027778 k( 305) = ( 0.0000000 0.2716465 0.1507871), wk = 0.0027778 k( 306) = ( 0.0000000 0.2716465 0.1623862), wk = 0.0027778 k( 307) = ( 0.0000000 0.2716465 0.1739852), wk = 0.0027778 k( 308) = ( 0.0000000 0.2716465 0.1855842), wk = 0.0027778 k( 309) = ( 0.0000000 0.2716465 0.1971832), wk = 0.0027778 k( 310) = ( 0.0000000 0.2716465 0.2087822), wk = 0.0027778 k( 311) = ( 0.0000000 0.2716465 0.2203812), wk = 0.0027778 k( 312) = ( 0.0000000 0.2716465 0.2319802), wk = 0.0027778 k( 313) = ( 0.0000000 0.2716465 0.2435792), wk = 0.0027778 k( 314) = ( 0.0000000 0.2716465 0.2551782), wk = 0.0027778 k( 315) = ( 0.5000000 -0.0000000 0.2551782), wk = 0.0027778 k( 316) = ( 0.5000000 -0.0000000 0.2435792), wk = 0.0027778 k( 317) = ( 0.5000000 -0.0000000 0.2319802), wk = 0.0027778 k( 318) = ( 0.5000000 -0.0000000 0.2203812), wk = 0.0027778 k( 319) = ( 0.5000000 -0.0000000 0.2087822), wk = 0.0027778 k( 320) = ( 0.5000000 -0.0000000 0.1971832), wk = 0.0027778 k( 321) = ( 0.5000000 -0.0000000 0.1855842), wk = 0.0027778 k( 322) = ( 0.5000000 -0.0000000 0.1739852), wk = 0.0027778 k( 323) = ( 0.5000000 -0.0000000 0.1623862), wk = 0.0027778 k( 324) = ( 0.5000000 -0.0000000 0.1507871), wk = 0.0027778 k( 325) = ( 0.5000000 -0.0000000 0.1391881), wk = 0.0027778 k( 326) = ( 0.5000000 -0.0000000 0.1275891), wk = 0.0027778 k( 327) = ( 0.5000000 -0.0000000 0.1159901), wk = 0.0027778 k( 328) = ( 0.5000000 -0.0000000 0.1043911), wk = 0.0027778 k( 329) = ( 0.5000000 -0.0000000 0.0927921), wk = 0.0027778 k( 330) = ( 0.5000000 -0.0000000 0.0811931), wk = 0.0027778 k( 331) = ( 0.5000000 -0.0000000 0.0695941), wk = 0.0027778 k( 332) = ( 0.5000000 -0.0000000 0.0579951), wk = 0.0027778 k( 333) = ( 0.5000000 -0.0000000 0.0463960), wk = 0.0027778 k( 334) = ( 0.5000000 -0.0000000 0.0347970), wk = 0.0027778 k( 335) = ( 0.5000000 -0.0000000 0.0231980), wk = 0.0027778 k( 336) = ( 0.5000000 -0.0000000 0.0115990), wk = 0.0027778 k( 337) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 338) = ( 0.5000000 0.2716465 -0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.2716465 0.0115990), wk = 0.0027778 k( 340) = ( 0.5000000 0.2716465 0.0231980), wk = 0.0027778 k( 341) = ( 0.5000000 0.2716465 0.0347970), wk = 0.0027778 k( 342) = ( 0.5000000 0.2716465 0.0463960), wk = 0.0027778 k( 343) = ( 0.5000000 0.2716465 0.0579951), wk = 0.0027778 k( 344) = ( 0.5000000 0.2716465 0.0695941), wk = 0.0027778 k( 345) = ( 0.5000000 0.2716465 0.0811931), wk = 0.0027778 k( 346) = ( 0.5000000 0.2716465 0.0927921), wk = 0.0027778 k( 347) = ( 0.5000000 0.2716465 0.1043911), wk = 0.0027778 k( 348) = ( 0.5000000 0.2716465 0.1159901), wk = 0.0027778 k( 349) = ( 0.5000000 0.2716465 0.1275891), wk = 0.0027778 k( 350) = ( 0.5000000 0.2716465 0.1391881), wk = 0.0027778 k( 351) = ( 0.5000000 0.2716465 0.1507871), wk = 0.0027778 k( 352) = ( 0.5000000 0.2716465 0.1623862), wk = 0.0027778 k( 353) = ( 0.5000000 0.2716465 0.1739852), wk = 0.0027778 k( 354) = ( 0.5000000 0.2716465 0.1855842), wk = 0.0027778 k( 355) = ( 0.5000000 0.2716465 0.1971832), wk = 0.0027778 k( 356) = ( 0.5000000 0.2716465 0.2087822), wk = 0.0027778 k( 357) = ( 0.5000000 0.2716465 0.2203812), wk = 0.0027778 k( 358) = ( 0.5000000 0.2716465 0.2319802), wk = 0.0027778 k( 359) = ( 0.5000000 0.2716465 0.2435792), wk = 0.0027778 k( 360) = ( 0.5000000 0.2716465 0.2551782), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0027778 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0027778 k( 6) = ( 0.0595238 -0.0000000 0.0000000), wk = 0.0027778 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0027778 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0027778 k( 11) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0027778 k( 12) = ( 0.1309524 -0.0000000 0.0000000), wk = 0.0027778 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1547619 -0.0000000 0.0000000), wk = 0.0027778 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0027778 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0027778 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0027778 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2619048 -0.0000000 0.0000000), wk = 0.0027778 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0027778 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0027778 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0027778 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0027778 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0027778 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0027778 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0027778 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0027778 k( 41) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0027778 k( 42) = ( 0.4880952 -0.0000000 0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0217391 0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0434783 0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.0652174 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.0869565 0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.1086957 0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.1304348 0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.1521739 -0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.1739130 0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.1956522 0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.2173913 0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.2391304 0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.2608696 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.2826087 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.3043478 0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.3260870 -0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.3478261 -0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.3695652 0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.3913044 0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.4130435 -0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.4347826 0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.4565217 0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.4782609 -0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 69) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0027778 k( 72) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0027778 k( 74) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0027778 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0027778 k( 88) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027778 k( 90) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0027778 k( 92) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027778 k( 93) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0027778 k( 94) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027778 k( 97) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0027778 k( 98) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0027778 k( 99) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0027778 k( 100) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0027778 k( 101) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0027778 k( 102) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0027778 k( 103) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027778 k( 105) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0027778 k( 106) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0027778 k( 107) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027778 k( 108) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0027778 k( 109) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.3913043 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 159) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0027778 k( 160) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0027778 k( 161) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0027778 k( 162) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0027778 k( 163) = ( 0.0595238 -0.0000000 0.5000000), wk = 0.0027778 k( 164) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0027778 k( 165) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0027778 k( 166) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0027778 k( 167) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0027778 k( 168) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0027778 k( 169) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0027778 k( 170) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0027778 k( 171) = ( 0.1547619 -0.0000000 0.5000000), wk = 0.0027778 k( 172) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027778 k( 173) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0027778 k( 174) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0027778 k( 175) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0027778 k( 176) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0027778 k( 177) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0027778 k( 178) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0027778 k( 179) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027778 k( 180) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0027778 k( 181) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0027778 k( 182) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0027778 k( 183) = ( 0.2976190 -0.0000000 0.5000000), wk = 0.0027778 k( 184) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0027778 k( 185) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0027778 k( 186) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027778 k( 187) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0027778 k( 188) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0027778 k( 189) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0027778 k( 190) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0027778 k( 191) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0027778 k( 192) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0027778 k( 193) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0027778 k( 194) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0027778 k( 195) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0027778 k( 196) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0027778 k( 197) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0027778 k( 198) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0027778 k( 199) = ( 0.4880952 -0.0000000 0.5000000), wk = 0.0027778 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 202) = ( 0.5000000 0.0217391 0.5000000), wk = 0.0027778 k( 203) = ( 0.5000000 0.0434783 0.5000000), wk = 0.0027778 k( 204) = ( 0.5000000 0.0652174 0.5000000), wk = 0.0027778 k( 205) = ( 0.5000000 0.0869565 0.5000000), wk = 0.0027778 k( 206) = ( 0.5000000 0.1086957 0.5000000), wk = 0.0027778 k( 207) = ( 0.5000000 0.1304348 0.5000000), wk = 0.0027778 k( 208) = ( 0.5000000 0.1521739 0.5000000), wk = 0.0027778 k( 209) = ( 0.5000000 0.1739130 0.5000000), wk = 0.0027778 k( 210) = ( 0.5000000 0.1956522 0.5000000), wk = 0.0027778 k( 211) = ( 0.5000000 0.2173913 0.5000000), wk = 0.0027778 k( 212) = ( 0.5000000 0.2391304 0.5000000), wk = 0.0027778 k( 213) = ( 0.5000000 0.2608696 0.5000000), wk = 0.0027778 k( 214) = ( 0.5000000 0.2826087 0.5000000), wk = 0.0027778 k( 215) = ( 0.5000000 0.3043478 0.5000000), wk = 0.0027778 k( 216) = ( 0.5000000 0.3260870 0.5000000), wk = 0.0027778 k( 217) = ( 0.5000000 0.3478261 0.5000000), wk = 0.0027778 k( 218) = ( 0.5000000 0.3695652 0.5000000), wk = 0.0027778 k( 219) = ( 0.5000000 0.3913044 0.5000000), wk = 0.0027778 k( 220) = ( 0.5000000 0.4130435 0.5000000), wk = 0.0027778 k( 221) = ( 0.5000000 0.4347826 0.5000000), wk = 0.0027778 k( 222) = ( 0.5000000 0.4565217 0.5000000), wk = 0.0027778 k( 223) = ( 0.5000000 0.4782609 0.5000000), wk = 0.0027778 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 226) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0027778 k( 227) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0027778 k( 228) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0027778 k( 229) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0027778 k( 230) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0027778 k( 231) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0027778 k( 232) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0027778 k( 233) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0027778 k( 234) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0027778 k( 235) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0027778 k( 236) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0027778 k( 237) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0027778 k( 238) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0027778 k( 239) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027778 k( 240) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0027778 k( 241) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0027778 k( 242) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0027778 k( 243) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0027778 k( 244) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0027778 k( 245) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0027778 k( 248) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0027778 k( 249) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0027778 k( 250) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0027778 k( 251) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0027778 k( 252) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0027778 k( 253) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027778 k( 254) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0027778 k( 255) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0027778 k( 256) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0027778 k( 257) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0027778 k( 258) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0027778 k( 259) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0027778 k( 260) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0027778 k( 261) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0027778 k( 262) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0027778 k( 263) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0027778 k( 264) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0027778 k( 265) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0027778 k( 266) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0027778 k( 267) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 268) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 269) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0027778 k( 270) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0027778 k( 271) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0027778 k( 272) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0027778 k( 273) = ( 0.0000000 0.3913043 0.5000000), wk = 0.0027778 k( 274) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0027778 k( 275) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0027778 k( 276) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0027778 k( 277) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0027778 k( 278) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0027778 k( 279) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0027778 k( 280) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0027778 k( 281) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0027778 k( 282) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0027778 k( 283) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0027778 k( 284) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0027778 k( 285) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0027778 k( 286) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0027778 k( 287) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0027778 k( 288) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0027778 k( 289) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0027778 k( 290) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0027778 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 292) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 293) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027778 k( 294) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0027778 k( 295) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027778 k( 296) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027778 k( 297) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027778 k( 299) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027778 k( 300) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027778 k( 301) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0027778 k( 302) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027778 k( 303) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027778 k( 304) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027778 k( 305) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027778 k( 306) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027778 k( 307) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027778 k( 308) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027778 k( 309) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027778 k( 310) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027778 k( 311) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0027778 k( 313) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027778 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 316) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0027778 k( 317) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0027778 k( 318) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0027778 k( 319) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0027778 k( 320) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0027778 k( 321) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0027778 k( 322) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0027778 k( 323) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0027778 k( 324) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0027778 k( 325) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0027778 k( 326) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027778 k( 327) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0027778 k( 328) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0027778 k( 329) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0027778 k( 330) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0027778 k( 331) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0027778 k( 332) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0027778 k( 333) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0027778 k( 334) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0027778 k( 335) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0027778 k( 336) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0027778 k( 337) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 62401 G-vectors FFT dimensions: ( 36, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 472, 48) NL pseudopotentials 0.72 Mb ( 236, 200) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1733) G-vector shells 0.01 Mb ( 832) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.38 Mb ( 472, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.29 Mb ( 200, 2, 48) The potential is recalculated from file : ./ZrTe.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.5 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.9 secs Computing kpt #: 10 total cpu time spent up to now is 14.0 secs Computing kpt #: 11 total cpu time spent up to now is 15.2 secs Computing kpt #: 12 total cpu time spent up to now is 16.2 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.1 secs Computing kpt #: 15 total cpu time spent up to now is 19.1 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 21.9 secs Computing kpt #: 19 total cpu time spent up to now is 22.9 secs Computing kpt #: 20 total cpu time spent up to now is 23.9 secs Computing kpt #: 21 total cpu time spent up to now is 25.0 secs Computing kpt #: 22 total cpu time spent up to now is 26.3 secs Computing kpt #: 23 total cpu time spent up to now is 27.8 secs Computing kpt #: 24 total cpu time spent up to now is 29.3 secs Computing kpt #: 25 total cpu time spent up to now is 30.6 secs Computing kpt #: 26 total cpu time spent up to now is 31.9 secs Computing kpt #: 27 total cpu time spent up to now is 33.3 secs Computing kpt #: 28 total cpu time spent up to now is 34.8 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.7 secs Computing kpt #: 30 total cpu time spent up to now is 38.0 secs Computing kpt #: 31 total cpu time spent up to now is 39.1 secs Computing kpt #: 32 total cpu time spent up to now is 40.1 secs Computing kpt #: 33 total cpu time spent up to now is 41.0 secs Computing kpt #: 34 total cpu time spent up to now is 41.9 secs Computing kpt #: 35 total cpu time spent up to now is 42.8 secs Computing kpt #: 36 total cpu time spent up to now is 43.7 secs Computing kpt #: 37 total cpu time spent up to now is 44.6 secs Computing kpt #: 38 total cpu time spent up to now is 45.4 secs Computing kpt #: 39 total cpu time spent up to now is 46.3 secs Computing kpt #: 40 total cpu time spent up to now is 47.1 secs Computing kpt #: 41 total cpu time spent up to now is 47.9 secs Computing kpt #: 42 total cpu time spent up to now is 48.8 secs Computing kpt #: 43 total cpu time spent up to now is 49.6 secs Computing kpt #: 44 total cpu time spent up to now is 50.4 secs Computing kpt #: 45 total cpu time spent up to now is 51.2 secs Computing kpt #: 46 total cpu time spent up to now is 52.0 secs Computing kpt #: 47 total cpu time spent up to now is 52.8 secs Computing kpt #: 48 total cpu time spent up to now is 53.7 secs Computing kpt #: 49 total cpu time spent up to now is 54.5 secs Computing kpt #: 50 total cpu time spent up to now is 55.3 secs Computing kpt #: 51 total cpu time spent up to now is 56.2 secs Computing kpt #: 52 total cpu time spent up to now is 57.0 secs Computing kpt #: 53 total cpu time spent up to now is 57.8 secs Computing kpt #: 54 total cpu time spent up to now is 58.7 secs Computing kpt #: 55 total cpu time spent up to now is 59.5 secs Computing kpt #: 56 total cpu time spent up to now is 60.4 secs Computing kpt #: 57 total cpu time spent up to now is 61.2 secs Computing kpt #: 58 total cpu time spent up to now is 62.0 secs Computing kpt #: 59 total cpu time spent up to now is 62.9 secs Computing kpt #: 60 total cpu time spent up to now is 63.7 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.3 secs Computing kpt #: 63 total cpu time spent up to now is 66.2 secs Computing kpt #: 64 total cpu time spent up to now is 67.1 secs Computing kpt #: 65 total cpu time spent up to now is 68.0 secs Computing kpt #: 66 total cpu time spent up to now is 68.8 secs Computing kpt #: 67 total cpu time spent up to now is 69.7 secs Computing kpt #: 68 total cpu time spent up to now is 70.5 secs Computing kpt #: 69 total cpu time spent up to now is 71.4 secs Computing kpt #: 70 total cpu time spent up to now is 72.3 secs Computing kpt #: 71 total cpu time spent up to now is 73.1 secs Computing kpt #: 72 total cpu time spent up to now is 74.0 secs Computing kpt #: 73 total cpu time spent up to now is 74.9 secs Computing kpt #: 74 total cpu time spent up to now is 75.8 secs Computing kpt #: 75 total cpu time spent up to now is 76.7 secs Computing kpt #: 76 total cpu time spent up to now is 77.5 secs Computing kpt #: 77 total cpu time spent up to now is 78.4 secs Computing kpt #: 78 total cpu time spent up to now is 79.3 secs Computing kpt #: 79 total cpu time spent up to now is 80.1 secs Computing kpt #: 80 total cpu time spent up to now is 81.1 secs Computing kpt #: 81 total cpu time spent up to now is 82.0 secs Computing kpt #: 82 total cpu time spent up to now is 82.9 secs Computing kpt #: 83 total cpu time spent up to now is 83.9 secs Computing kpt #: 84 total cpu time spent up to now is 84.8 secs Computing kpt #: 85 total cpu time spent up to now is 85.8 secs Computing kpt #: 86 total cpu time spent up to now is 86.8 secs Computing kpt #: 87 total cpu time spent up to now is 87.8 secs Computing kpt #: 88 total cpu time spent up to now is 88.9 secs Computing kpt #: 89 total cpu time spent up to now is 89.9 secs Computing kpt #: 90 total cpu time spent up to now is 91.0 secs Computing kpt #: 91 total cpu time spent up to now is 92.0 secs Computing kpt #: 92 total cpu time spent up to now is 93.0 secs Computing kpt #: 93 total cpu time spent up to now is 94.2 secs Computing kpt #: 94 total cpu time spent up to now is 95.4 secs Computing kpt #: 95 total cpu time spent up to now is 96.5 secs Computing kpt #: 96 total cpu time spent up to now is 97.5 secs Computing kpt #: 97 total cpu time spent up to now is 98.5 secs Computing kpt #: 98 total cpu time spent up to now is 99.6 secs Computing kpt #: 99 total cpu time spent up to now is 100.7 secs Computing kpt #: 100 total cpu time spent up to now is 101.7 secs Computing kpt #: 101 total cpu time spent up to now is 102.8 secs Computing kpt #: 102 total cpu time spent up to now is 103.9 secs Computing kpt #: 103 total cpu time spent up to now is 104.9 secs Computing kpt #: 104 total cpu time spent up to now is 105.9 secs Computing kpt #: 105 total cpu time spent up to now is 106.9 secs Computing kpt #: 106 total cpu time spent up to now is 107.9 secs Computing kpt #: 107 total cpu time spent up to now is 108.8 secs Computing kpt #: 108 total cpu time spent up to now is 109.7 secs Computing kpt #: 109 total cpu time spent up to now is 110.5 secs Computing kpt #: 110 total cpu time spent up to now is 111.4 secs Computing kpt #: 111 total cpu time spent up to now is 112.3 secs Computing kpt #: 112 total cpu time spent up to now is 113.2 secs Computing kpt #: 113 total cpu time spent up to now is 114.1 secs Computing kpt #: 114 total cpu time spent up to now is 115.0 secs Computing kpt #: 115 total cpu time spent up to now is 115.9 secs Computing kpt #: 116 total cpu time spent up to now is 116.8 secs Computing kpt #: 117 total cpu time spent up to now is 117.8 secs Computing kpt #: 118 total cpu time spent up to now is 118.8 secs Computing kpt #: 119 total cpu time spent up to now is 119.8 secs Computing kpt #: 120 total cpu time spent up to now is 120.8 secs Computing kpt #: 121 total cpu time spent up to now is 121.8 secs Computing kpt #: 122 total cpu time spent up to now is 122.8 secs Computing kpt #: 123 total cpu time spent up to now is 123.9 secs Computing kpt #: 124 total cpu time spent up to now is 125.0 secs Computing kpt #: 125 total cpu time spent up to now is 126.1 secs Computing kpt #: 126 total cpu time spent up to now is 127.1 secs Computing kpt #: 127 total cpu time spent up to now is 128.2 secs Computing kpt #: 128 total cpu time spent up to now is 129.2 secs Computing kpt #: 129 total cpu time spent up to now is 130.2 secs Computing kpt #: 130 total cpu time spent up to now is 131.4 secs Computing kpt #: 131 total cpu time spent up to now is 132.7 secs Computing kpt #: 132 total cpu time spent up to now is 133.8 secs Computing kpt #: 133 total cpu time spent up to now is 134.8 secs Computing kpt #: 134 total cpu time spent up to now is 135.8 secs Computing kpt #: 135 total cpu time spent up to now is 136.7 secs Computing kpt #: 136 total cpu time spent up to now is 137.7 secs Computing kpt #: 137 total cpu time spent up to now is 138.6 secs Computing kpt #: 138 total cpu time spent up to now is 139.6 secs Computing kpt #: 139 total cpu time spent up to now is 140.8 secs Computing kpt #: 140 total cpu time spent up to now is 142.1 secs Computing kpt #: 141 total cpu time spent up to now is 143.5 secs Computing kpt #: 142 total cpu time spent up to now is 144.6 secs Computing kpt #: 143 total cpu time spent up to now is 145.7 secs Computing kpt #: 144 total cpu time spent up to now is 146.7 secs Computing kpt #: 145 total cpu time spent up to now is 147.7 secs Computing kpt #: 146 total cpu time spent up to now is 148.6 secs Computing kpt #: 147 total cpu time spent up to now is 149.5 secs Computing kpt #: 148 total cpu time spent up to now is 150.4 secs Computing kpt #: 149 total cpu time spent up to now is 151.2 secs Computing kpt #: 150 total cpu time spent up to now is 152.0 secs Computing kpt #: 151 total cpu time spent up to now is 152.8 secs Computing kpt #: 152 total cpu time spent up to now is 153.6 secs Computing kpt #: 153 total cpu time spent up to now is 154.4 secs Computing kpt #: 154 total cpu time spent up to now is 155.2 secs Computing kpt #: 155 total cpu time spent up to now is 156.0 secs Computing kpt #: 156 total cpu time spent up to now is 156.8 secs Computing kpt #: 157 total cpu time spent up to now is 157.6 secs Computing kpt #: 158 total cpu time spent up to now is 158.4 secs Computing kpt #: 159 total cpu time spent up to now is 159.2 secs Computing kpt #: 160 total cpu time spent up to now is 160.0 secs Computing kpt #: 161 total cpu time spent up to now is 160.8 secs Computing kpt #: 162 total cpu time spent up to now is 161.7 secs Computing kpt #: 163 total cpu time spent up to now is 162.6 secs Computing kpt #: 164 total cpu time spent up to now is 163.4 secs Computing kpt #: 165 total cpu time spent up to now is 164.3 secs Computing kpt #: 166 total cpu time spent up to now is 165.3 secs Computing kpt #: 167 total cpu time spent up to now is 166.2 secs Computing kpt #: 168 total cpu time spent up to now is 167.1 secs Computing kpt #: 169 total cpu time spent up to now is 168.0 secs Computing kpt #: 170 total cpu time spent up to now is 168.9 secs Computing kpt #: 171 total cpu time spent up to now is 169.9 secs Computing kpt #: 172 total cpu time spent up to now is 170.8 secs Computing kpt #: 173 total cpu time spent up to now is 171.8 secs Computing kpt #: 174 total cpu time spent up to now is 172.7 secs Computing kpt #: 175 total cpu time spent up to now is 173.7 secs Computing kpt #: 176 total cpu time spent up to now is 174.6 secs Computing kpt #: 177 total cpu time spent up to now is 175.6 secs Computing kpt #: 178 total cpu time spent up to now is 176.5 secs Computing kpt #: 179 total cpu time spent up to now is 177.4 secs Computing kpt #: 180 total cpu time spent up to now is 178.3 secs Computing kpt #: 181 total cpu time spent up to now is 179.3 secs Computing kpt #: 182 total cpu time spent up to now is 180.2 secs Computing kpt #: 183 total cpu time spent up to now is 181.1 secs Computing kpt #: 184 total cpu time spent up to now is 182.0 secs Computing kpt #: 185 total cpu time spent up to now is 182.9 secs Computing kpt #: 186 total cpu time spent up to now is 183.8 secs Computing kpt #: 187 total cpu time spent up to now is 184.8 secs Computing kpt #: 188 total cpu time spent up to now is 185.8 secs Computing kpt #: 189 total cpu time spent up to now is 186.7 secs Computing kpt #: 190 total cpu time spent up to now is 187.7 secs Computing kpt #: 191 total cpu time spent up to now is 188.7 secs Computing kpt #: 192 total cpu time spent up to now is 189.7 secs Computing kpt #: 193 total cpu time spent up to now is 190.6 secs Computing kpt #: 194 total cpu time spent up to now is 191.5 secs Computing kpt #: 195 total cpu time spent up to now is 192.4 secs Computing kpt #: 196 total cpu time spent up to now is 193.3 secs Computing kpt #: 197 total cpu time spent up to now is 194.2 secs Computing kpt #: 198 total cpu time spent up to now is 195.0 secs Computing kpt #: 199 total cpu time spent up to now is 195.9 secs Computing kpt #: 200 total cpu time spent up to now is 196.8 secs Computing kpt #: 201 total cpu time spent up to now is 197.6 secs Computing kpt #: 202 total cpu time spent up to now is 198.5 secs Computing kpt #: 203 total cpu time spent up to now is 199.4 secs Computing kpt #: 204 total cpu time spent up to now is 200.2 secs Computing kpt #: 205 total cpu time spent up to now is 201.1 secs Computing kpt #: 206 total cpu time spent up to now is 202.0 secs Computing kpt #: 207 total cpu time spent up to now is 202.9 secs Computing kpt #: 208 total cpu time spent up to now is 203.8 secs Computing kpt #: 209 total cpu time spent up to now is 204.7 secs Computing kpt #: 210 total cpu time spent up to now is 205.6 secs Computing kpt #: 211 total cpu time spent up to now is 206.6 secs Computing kpt #: 212 total cpu time spent up to now is 207.5 secs Computing kpt #: 213 total cpu time spent up to now is 208.5 secs Computing kpt #: 214 total cpu time spent up to now is 209.5 secs Computing kpt #: 215 total cpu time spent up to now is 210.4 secs Computing kpt #: 216 total cpu time spent up to now is 211.4 secs Computing kpt #: 217 total cpu time spent up to now is 212.4 secs Computing kpt #: 218 total cpu time spent up to now is 213.4 secs Computing kpt #: 219 total cpu time spent up to now is 214.3 secs Computing kpt #: 220 total cpu time spent up to now is 215.3 secs Computing kpt #: 221 total cpu time spent up to now is 216.3 secs Computing kpt #: 222 total cpu time spent up to now is 217.3 secs Computing kpt #: 223 total cpu time spent up to now is 218.3 secs Computing kpt #: 224 total cpu time spent up to now is 219.2 secs Computing kpt #: 225 total cpu time spent up to now is 220.2 secs Computing kpt #: 226 total cpu time spent up to now is 221.2 secs Computing kpt #: 227 total cpu time spent up to now is 222.2 secs Computing kpt #: 228 total cpu time spent up to now is 223.1 secs Computing kpt #: 229 total cpu time spent up to now is 224.2 secs Computing kpt #: 230 total cpu time spent up to now is 225.2 secs Computing kpt #: 231 total cpu time spent up to now is 226.3 secs Computing kpt #: 232 total cpu time spent up to now is 227.3 secs Computing kpt #: 233 total cpu time spent up to now is 228.3 secs Computing kpt #: 234 total cpu time spent up to now is 229.3 secs Computing kpt #: 235 total cpu time spent up to now is 230.4 secs Computing kpt #: 236 total cpu time spent up to now is 231.5 secs Computing kpt #: 237 total cpu time spent up to now is 232.6 secs Computing kpt #: 238 total cpu time spent up to now is 233.7 secs Computing kpt #: 239 total cpu time spent up to now is 234.8 secs Computing kpt #: 240 total cpu time spent up to now is 235.9 secs Computing kpt #: 241 total cpu time spent up to now is 237.0 secs Computing kpt #: 242 total cpu time spent up to now is 238.1 secs Computing kpt #: 243 total cpu time spent up to now is 239.2 secs Computing kpt #: 244 total cpu time spent up to now is 240.2 secs Computing kpt #: 245 total cpu time spent up to now is 241.3 secs Computing kpt #: 246 total cpu time spent up to now is 242.4 secs Computing kpt #: 247 total cpu time spent up to now is 243.4 secs Computing kpt #: 248 total cpu time spent up to now is 244.4 secs Computing kpt #: 249 total cpu time spent up to now is 245.4 secs Computing kpt #: 250 total cpu time spent up to now is 246.3 secs Computing kpt #: 251 total cpu time spent up to now is 247.3 secs Computing kpt #: 252 total cpu time spent up to now is 248.3 secs Computing kpt #: 253 total cpu time spent up to now is 249.2 secs Computing kpt #: 254 total cpu time spent up to now is 250.1 secs Computing kpt #: 255 total cpu time spent up to now is 251.1 secs Computing kpt #: 256 total cpu time spent up to now is 252.0 secs Computing kpt #: 257 total cpu time spent up to now is 252.9 secs Computing kpt #: 258 total cpu time spent up to now is 253.8 secs Computing kpt #: 259 total cpu time spent up to now is 254.7 secs Computing kpt #: 260 total cpu time spent up to now is 255.7 secs Computing kpt #: 261 total cpu time spent up to now is 256.6 secs Computing kpt #: 262 total cpu time spent up to now is 257.6 secs Computing kpt #: 263 total cpu time spent up to now is 258.5 secs Computing kpt #: 264 total cpu time spent up to now is 259.5 secs Computing kpt #: 265 total cpu time spent up to now is 260.4 secs Computing kpt #: 266 total cpu time spent up to now is 261.3 secs Computing kpt #: 267 total cpu time spent up to now is 262.2 secs Computing kpt #: 268 total cpu time spent up to now is 263.1 secs Computing kpt #: 269 total cpu time spent up to now is 263.9 secs Computing kpt #: 270 total cpu time spent up to now is 264.8 secs Computing kpt #: 271 total cpu time spent up to now is 265.7 secs Computing kpt #: 272 total cpu time spent up to now is 266.6 secs Computing kpt #: 273 total cpu time spent up to now is 267.5 secs Computing kpt #: 274 total cpu time spent up to now is 268.4 secs Computing kpt #: 275 total cpu time spent up to now is 269.3 secs Computing kpt #: 276 total cpu time spent up to now is 270.2 secs Computing kpt #: 277 total cpu time spent up to now is 271.2 secs Computing kpt #: 278 total cpu time spent up to now is 272.1 secs Computing kpt #: 279 total cpu time spent up to now is 273.0 secs Computing kpt #: 280 total cpu time spent up to now is 273.9 secs Computing kpt #: 281 total cpu time spent up to now is 274.8 secs Computing kpt #: 282 total cpu time spent up to now is 275.7 secs Computing kpt #: 283 total cpu time spent up to now is 276.6 secs Computing kpt #: 284 total cpu time spent up to now is 277.5 secs Computing kpt #: 285 total cpu time spent up to now is 278.4 secs Computing kpt #: 286 total cpu time spent up to now is 279.3 secs Computing kpt #: 287 total cpu time spent up to now is 280.2 secs Computing kpt #: 288 total cpu time spent up to now is 281.0 secs Computing kpt #: 289 total cpu time spent up to now is 281.8 secs Computing kpt #: 290 total cpu time spent up to now is 282.6 secs Computing kpt #: 291 total cpu time spent up to now is 283.4 secs Computing kpt #: 292 total cpu time spent up to now is 284.2 secs Computing kpt #: 293 total cpu time spent up to now is 285.1 secs Computing kpt #: 294 total cpu time spent up to now is 286.0 secs Computing kpt #: 295 total cpu time spent up to now is 286.8 secs Computing kpt #: 296 total cpu time spent up to now is 287.7 secs Computing kpt #: 297 total cpu time spent up to now is 288.6 secs Computing kpt #: 298 total cpu time spent up to now is 289.4 secs Computing kpt #: 299 total cpu time spent up to now is 290.2 secs Computing kpt #: 300 total cpu time spent up to now is 291.0 secs Computing kpt #: 301 total cpu time spent up to now is 291.8 secs Computing kpt #: 302 total cpu time spent up to now is 292.7 secs Computing kpt #: 303 total cpu time spent up to now is 293.6 secs Computing kpt #: 304 total cpu time spent up to now is 294.5 secs Computing kpt #: 305 total cpu time spent up to now is 295.4 secs Computing kpt #: 306 total cpu time spent up to now is 296.3 secs Computing kpt #: 307 total cpu time spent up to now is 297.2 secs Computing kpt #: 308 total cpu time spent up to now is 298.1 secs Computing kpt #: 309 total cpu time spent up to now is 299.1 secs Computing kpt #: 310 total cpu time spent up to now is 300.0 secs Computing kpt #: 311 total cpu time spent up to now is 300.9 secs Computing kpt #: 312 total cpu time spent up to now is 301.8 secs Computing kpt #: 313 total cpu time spent up to now is 302.7 secs Computing kpt #: 314 total cpu time spent up to now is 303.5 secs Computing kpt #: 315 total cpu time spent up to now is 304.4 secs Computing kpt #: 316 total cpu time spent up to now is 305.3 secs Computing kpt #: 317 total cpu time spent up to now is 306.1 secs Computing kpt #: 318 total cpu time spent up to now is 307.0 secs Computing kpt #: 319 total cpu time spent up to now is 307.8 secs Computing kpt #: 320 total cpu time spent up to now is 308.7 secs Computing kpt #: 321 total cpu time spent up to now is 309.6 secs Computing kpt #: 322 total cpu time spent up to now is 310.5 secs Computing kpt #: 323 total cpu time spent up to now is 311.4 secs Computing kpt #: 324 total cpu time spent up to now is 312.3 secs Computing kpt #: 325 total cpu time spent up to now is 313.1 secs Computing kpt #: 326 total cpu time spent up to now is 314.0 secs Computing kpt #: 327 total cpu time spent up to now is 314.9 secs Computing kpt #: 328 total cpu time spent up to now is 315.7 secs Computing kpt #: 329 total cpu time spent up to now is 316.6 secs Computing kpt #: 330 total cpu time spent up to now is 317.5 secs Computing kpt #: 331 total cpu time spent up to now is 318.3 secs Computing kpt #: 332 total cpu time spent up to now is 319.1 secs Computing kpt #: 333 total cpu time spent up to now is 320.0 secs Computing kpt #: 334 total cpu time spent up to now is 320.8 secs Computing kpt #: 335 total cpu time spent up to now is 321.7 secs Computing kpt #: 336 total cpu time spent up to now is 322.5 secs Computing kpt #: 337 total cpu time spent up to now is 323.3 secs Computing kpt #: 338 total cpu time spent up to now is 324.1 secs Computing kpt #: 339 total cpu time spent up to now is 325.0 secs Computing kpt #: 340 total cpu time spent up to now is 325.8 secs Computing kpt #: 341 total cpu time spent up to now is 326.7 secs Computing kpt #: 342 total cpu time spent up to now is 327.5 secs Computing kpt #: 343 total cpu time spent up to now is 328.4 secs Computing kpt #: 344 total cpu time spent up to now is 329.3 secs Computing kpt #: 345 total cpu time spent up to now is 330.2 secs Computing kpt #: 346 total cpu time spent up to now is 331.0 secs Computing kpt #: 347 total cpu time spent up to now is 332.0 secs Computing kpt #: 348 total cpu time spent up to now is 332.9 secs Computing kpt #: 349 total cpu time spent up to now is 333.8 secs Computing kpt #: 350 total cpu time spent up to now is 334.7 secs Computing kpt #: 351 total cpu time spent up to now is 335.7 secs Computing kpt #: 352 total cpu time spent up to now is 336.7 secs Computing kpt #: 353 total cpu time spent up to now is 337.6 secs Computing kpt #: 354 total cpu time spent up to now is 338.6 secs Computing kpt #: 355 total cpu time spent up to now is 339.6 secs Computing kpt #: 356 total cpu time spent up to now is 340.5 secs Computing kpt #: 357 total cpu time spent up to now is 341.5 secs Computing kpt #: 358 total cpu time spent up to now is 342.5 secs Computing kpt #: 359 total cpu time spent up to now is 343.4 secs Computing kpt #: 360 total cpu time spent up to now is 344.4 secs ethr = 2.50E-08, avg # of iterations = 34.9 total cpu time spent up to now is 344.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7775 PWs) bands (ev): -3.9485 -3.9485 -2.7178 -2.7178 -2.6739 -2.6739 -2.4986 -2.4986 2.9777 2.9777 3.1064 3.1064 4.3472 4.3472 4.9035 4.9035 4.9329 4.9329 6.3541 6.3541 6.3673 6.3673 6.7437 6.7437 7.1613 7.1613 7.4919 7.4919 7.6542 7.6542 7.7843 7.7843 7.8972 7.8972 8.6096 8.6096 8.8763 8.8763 9.4268 9.4268 9.7688 9.7688 9.8534 9.8534 10.2428 10.2428 10.5577 10.5577 k = 0.0119-0.0000-0.0000 ( 7783 PWs) bands (ev): -3.9473 -3.9473 -2.7173 -2.7173 -2.6735 -2.6735 -2.4978 -2.4978 2.9792 2.9792 3.1077 3.1077 4.3473 4.3473 4.9046 4.9046 4.9334 4.9334 6.3521 6.3521 6.3654 6.3654 6.7410 6.7410 7.1572 7.1572 7.4297 7.4297 7.7034 7.7034 7.7858 7.7858 7.9043 7.9043 8.6099 8.6099 8.8650 8.8650 9.4294 9.4294 9.7647 9.7647 9.8542 9.8542 10.2416 10.2416 10.5632 10.5632 k = 0.0238-0.0000-0.0000 ( 7778 PWs) bands (ev): -3.9436 -3.9436 -2.7160 -2.7160 -2.6720 -2.6720 -2.4957 -2.4957 2.9837 2.9837 3.1114 3.1114 4.3475 4.3475 4.9079 4.9079 4.9349 4.9349 6.3463 6.3463 6.3598 6.3598 6.7329 6.7329 7.1435 7.1435 7.3205 7.3205 7.7566 7.7566 7.7963 7.7963 7.9374 7.9374 8.6105 8.6105 8.8321 8.8321 9.4371 9.4371 9.7523 9.7523 9.8572 9.8572 10.2383 10.2383 10.5786 10.5786 k = 0.0357-0.0000-0.0000 ( 7782 PWs) bands (ev): -3.9375 -3.9375 -2.7137 -2.7137 -2.6696 -2.6696 -2.4921 -2.4921 2.9911 2.9911 3.1177 3.1177 4.3478 4.3478 4.9131 4.9131 4.9377 4.9377 6.3365 6.3365 6.3505 6.3505 6.7198 6.7198 7.1120 7.1120 7.2112 7.2112 7.7652 7.7652 7.8108 7.8108 8.0114 8.0114 8.6107 8.6107 8.7813 8.7813 9.4492 9.4492 9.7321 9.7321 9.8633 9.8633 10.2336 10.2336 10.6018 10.6018 k = 0.0476-0.0000-0.0000 ( 7764 PWs) bands (ev): -3.9289 -3.9289 -2.7106 -2.7106 -2.6663 -2.6663 -2.4871 -2.4871 3.0015 3.0015 3.1264 3.1264 4.3482 4.3482 4.9200 4.9200 4.9418 4.9418 6.3226 6.3226 6.3375 6.3375 6.7021 6.7021 7.0300 7.0300 7.1411 7.1411 7.7588 7.7588 7.8116 7.8116 8.1073 8.1073 8.6075 8.6075 8.7197 8.7197 9.4649 9.4649 9.7054 9.7054 9.8728 9.8728 10.2279 10.2279 10.6297 10.6297 k = 0.0595-0.0000-0.0000 ( 7774 PWs) bands (ev): -3.9179 -3.9179 -2.7066 -2.7066 -2.6621 -2.6621 -2.4807 -2.4807 3.0148 3.0148 3.1376 3.1376 4.3487 4.3487 4.9278 4.9278 4.9479 4.9479 6.3046 6.3046 6.3209 6.3209 6.6804 6.6804 6.9085 6.9085 7.1016 7.1016 7.7436 7.7436 7.8059 7.8059 8.2079 8.2079 8.5859 8.5859 8.6677 8.6677 9.4830 9.4830 9.6742 9.6742 9.8857 9.8857 10.2218 10.2218 10.6590 10.6590 k = 0.0714-0.0000-0.0000 ( 7784 PWs) bands (ev): -3.9046 -3.9046 -2.7017 -2.7017 -2.6569 -2.6569 -2.4730 -2.4730 3.0308 3.0308 3.1512 3.1512 4.3494 4.3494 4.9354 4.9354 4.9568 4.9568 6.2823 6.2823 6.3006 6.3006 6.6548 6.6548 6.7782 6.7782 7.0643 7.0643 7.7191 7.7191 7.7974 7.7974 8.3047 8.3047 8.5273 8.5273 8.6519 8.6519 9.5025 9.5025 9.6407 9.6407 9.9013 9.9013 10.2154 10.2154 10.6833 10.6833 k = 0.0833-0.0000-0.0000 ( 7792 PWs) bands (ev): -3.8888 -3.8888 -2.6959 -2.6959 -2.6509 -2.6509 -2.4640 -2.4640 3.0496 3.0496 3.1673 3.1673 4.3503 4.3503 4.9422 4.9422 4.9690 4.9690 6.2557 6.2557 6.2766 6.2766 6.6168 6.6168 6.6550 6.6550 7.0235 7.0235 7.6851 7.6851 7.7849 7.7849 8.3710 8.3710 8.4810 8.4810 8.6537 8.6537 9.5218 9.5218 9.6066 9.6066 9.9192 9.9192 10.2090 10.2090 10.6620 10.6620 k = 0.0952-0.0000-0.0000 ( 7778 PWs) bands (ev): -3.8707 -3.8707 -2.6893 -2.6893 -2.6441 -2.6441 -2.4538 -2.4538 3.0710 3.0710 3.1857 3.1857 4.3514 4.3514 4.9484 4.9484 4.9840 4.9840 6.2245 6.2245 6.2488 6.2488 6.5020 6.5020 6.6067 6.6067 6.9784 6.9784 7.6414 7.6414 7.7657 7.7657 8.3352 8.3352 8.5368 8.5368 8.6607 8.6607 9.5382 9.5382 9.5751 9.5751 9.9385 9.9385 10.2025 10.2025 10.6166 10.6166 k = 0.1071-0.0000-0.0000 ( 7780 PWs) bands (ev): -3.8502 -3.8502 -2.6820 -2.6820 -2.6364 -2.6364 -2.4424 -2.4424 3.0948 3.0948 3.2064 3.2064 4.3528 4.3528 4.9542 4.9542 5.0012 5.0012 6.1881 6.1881 6.2163 6.2163 6.3705 6.3705 6.5765 6.5765 6.9288 6.9288 7.5869 7.5869 7.7367 7.7367 8.2738 8.2738 8.6266 8.6266 8.6706 8.6706 9.5324 9.5324 9.5650 9.5650 9.9580 9.9580 10.1959 10.1959 10.5692 10.5692 k = 0.1190-0.0000-0.0000 ( 7788 PWs) bands (ev): -3.8275 -3.8275 -2.6738 -2.6738 -2.6279 -2.6279 -2.4299 -2.4299 3.1210 3.1210 3.2294 3.2294 4.3544 4.3544 4.9597 4.9597 5.0200 5.0200 6.1444 6.1444 6.1723 6.1723 6.2501 6.2501 6.5472 6.5472 6.8747 6.8747 7.5204 7.5204 7.6966 7.6966 8.2242 8.2242 8.6814 8.6814 8.7199 8.7199 9.5048 9.5048 9.5759 9.5759 9.9761 9.9761 10.1892 10.1892 10.5233 10.5233 k = 0.1310-0.0000-0.0000 ( 7802 PWs) bands (ev): -3.8024 -3.8024 -2.6649 -2.6649 -2.6186 -2.6186 -2.4165 -2.4165 3.1493 3.1493 3.2547 3.2547 4.3564 4.3564 4.9649 4.9649 5.0399 5.0399 6.0644 6.0644 6.1113 6.1113 6.1777 6.1777 6.5183 6.5183 6.8164 6.8164 7.4413 7.4413 7.6467 7.6467 8.1916 8.1916 8.6945 8.6945 8.8113 8.8113 9.4773 9.4773 9.5857 9.5857 9.9901 9.9901 10.1822 10.1822 10.4820 10.4820 k = 0.1429-0.0000-0.0000 ( 7798 PWs) bands (ev): -3.7752 -3.7752 -2.6553 -2.6553 -2.6087 -2.6087 -2.4021 -2.4021 3.1795 3.1795 3.2821 3.2821 4.3587 4.3587 4.9694 4.9694 5.0604 5.0604 5.9406 5.9406 6.0598 6.0598 6.1360 6.1360 6.4895 6.4895 6.7537 6.7537 7.3508 7.3508 7.5902 7.5902 8.1747 8.1747 8.7084 8.7084 8.9012 8.9012 9.4525 9.4525 9.5921 9.5921 9.9966 9.9966 10.1750 10.1750 10.4491 10.4491 k = 0.1548-0.0000-0.0000 ( 7804 PWs) bands (ev): -3.7458 -3.7458 -2.6450 -2.6450 -2.5981 -2.5981 -2.3870 -2.3870 3.2114 3.2114 3.3116 3.3116 4.3615 4.3615 4.9729 4.9729 5.0810 5.0810 5.8112 5.8112 6.0077 6.0077 6.0992 6.0992 6.4601 6.4601 6.6871 6.6871 7.2521 7.2521 7.5300 7.5300 8.1700 8.1700 8.7224 8.7224 8.9889 8.9889 9.4311 9.4311 9.5950 9.5950 9.9917 9.9917 10.1674 10.1674 10.4289 10.4289 k = 0.1667-0.0000-0.0000 ( 7800 PWs) bands (ev): -3.7143 -3.7143 -2.6341 -2.6341 -2.5869 -2.5869 -2.3712 -2.3712 3.2446 3.2446 3.3431 3.3431 4.3648 4.3648 4.9750 4.9750 5.1009 5.1009 5.6829 5.6829 5.9541 5.9541 6.0636 6.0636 6.4285 6.4285 6.6173 6.6173 7.1492 7.1492 7.4677 7.4677 8.1740 8.1740 8.7358 8.7358 9.0739 9.0739 9.4139 9.4139 9.5952 9.5952 9.9727 9.9727 10.1587 10.1587 10.4241 10.4241 k = 0.1786-0.0000-0.0000 ( 7808 PWs) bands (ev): -3.6807 -3.6807 -2.6226 -2.6226 -2.5752 -2.5752 -2.3549 -2.3549 3.2790 3.2790 3.3765 3.3765 4.3687 4.3687 4.9747 4.9747 5.1194 5.1194 5.5583 5.5583 5.9000 5.9000 6.0287 6.0287 6.3910 6.3910 6.5475 6.5475 7.0464 7.0464 7.4043 7.4043 8.1842 8.1842 8.7477 8.7477 9.1549 9.1549 9.4016 9.4016 9.5944 9.5944 9.9404 9.9404 10.1481 10.1481 10.4350 10.4350 k = 0.1905-0.0000-0.0000 ( 7810 PWs) bands (ev): -3.6451 -3.6451 -2.6106 -2.6106 -2.5630 -2.5630 -2.3382 -2.3382 3.3142 3.3142 3.4116 3.4116 4.3731 4.3731 4.9709 4.9709 5.1351 5.1351 5.4392 5.4392 5.8467 5.8467 5.9946 5.9946 6.3399 6.3399 6.4846 6.4846 6.9470 6.9470 7.3400 7.3400 8.1988 8.1988 8.7570 8.7570 9.2294 9.2294 9.3949 9.3949 9.5957 9.5957 9.8976 9.8976 10.1349 10.1349 10.4593 10.4593 k = 0.2024-0.0000-0.0000 ( 7816 PWs) bands (ev): -3.6076 -3.6076 -2.5980 -2.5980 -2.5503 -2.5503 -2.3213 -2.3213 3.3498 3.3498 3.4483 3.4483 4.3779 4.3779 4.9612 4.9612 5.1467 5.1467 5.3288 5.3288 5.7960 5.7960 5.9617 5.9617 6.2671 6.2671 6.4366 6.4366 6.8535 6.8535 7.2754 7.2754 8.2163 8.2163 8.7627 8.7627 9.2925 9.2925 9.3947 9.3947 9.6042 9.6042 9.8480 9.8480 10.1188 10.1188 10.4935 10.4935 k = 0.2143-0.0000-0.0000 ( 7808 PWs) bands (ev): -3.5683 -3.5683 -2.5850 -2.5850 -2.5373 -2.5373 -2.3043 -2.3043 3.3854 3.3854 3.4864 3.4864 4.3830 4.3830 4.9415 4.9415 5.1523 5.1523 5.2318 5.2318 5.7497 5.7497 5.9303 5.9303 6.1749 6.1749 6.4021 6.4021 6.7669 6.7669 7.2107 7.2107 8.2359 8.2359 8.7640 8.7640 9.3371 9.3371 9.4018 9.4018 9.6263 9.6263 9.7952 9.7952 10.0998 10.0998 10.5350 10.5350 k = 0.2262-0.0000-0.0000 ( 7808 PWs) bands (ev): -3.5272 -3.5272 -2.5717 -2.5717 -2.5241 -2.5241 -2.2875 -2.2875 3.4207 3.4207 3.5254 3.5254 4.3877 4.3877 4.9062 4.9062 5.1436 5.1436 5.1616 5.1616 5.7095 5.7095 5.9006 5.9006 6.0707 6.0707 6.3753 6.3753 6.6876 6.6876 7.1462 7.1462 8.2569 8.2569 8.7604 8.7604 9.3585 9.3585 9.4166 9.4166 9.6597 9.6597 9.7484 9.7484 10.0780 10.0780 10.5811 10.5811 k = 0.2381-0.0000-0.0000 ( 7816 PWs) bands (ev): -3.4844 -3.4844 -2.5580 -2.5580 -2.5106 -2.5106 -2.2710 -2.2710 3.4553 3.4553 3.5650 3.5650 4.3909 4.3909 4.8534 4.8534 5.0957 5.0957 5.1449 5.1449 5.6767 5.6767 5.8718 5.8718 5.9615 5.9615 6.3526 6.3526 6.6149 6.6149 7.0822 7.0822 8.2788 8.2788 8.7519 8.7519 9.3607 9.3607 9.4380 9.4380 9.6523 9.6523 9.7581 9.7581 10.0539 10.0539 10.6300 10.6301 k = 0.2500-0.0000-0.0000 ( 7818 PWs) bands (ev): -3.4400 -3.4400 -2.5441 -2.5441 -2.4970 -2.4970 -2.2551 -2.2551 3.4889 3.4889 3.6047 3.6047 4.3902 4.3902 4.7914 4.7914 5.0567 5.0567 5.1276 5.1276 5.6502 5.6502 5.8288 5.8288 5.8680 5.8680 6.3324 6.3324 6.5483 6.5483 7.0192 7.0192 8.3012 8.3012 8.7388 8.7388 9.3508 9.3508 9.4647 9.4647 9.6011 9.6011 9.8212 9.8212 10.0288 10.0288 10.6792 10.6792 k = 0.2619-0.0000-0.0000 ( 7816 PWs) bands (ev): -3.3941 -3.3941 -2.5300 -2.5300 -2.4833 -2.4833 -2.2399 -2.2399 3.5210 3.5210 3.6437 3.6437 4.3819 4.3819 4.7335 4.7335 5.0224 5.0224 5.1052 5.1052 5.6223 5.6223 5.7362 5.7362 5.8359 5.8359 6.3139 6.3139 6.4871 6.4871 6.9572 6.9572 8.3238 8.3238 8.7218 8.7218 9.3337 9.3337 9.4920 9.4920 9.5482 9.5482 9.8911 9.8911 10.0070 10.0070 10.6855 10.6856 k = 0.2738-0.0000-0.0000 ( 7802 PWs) bands (ev): -3.3469 -3.3469 -2.5158 -2.5158 -2.4697 -2.4697 -2.2256 -2.2256 3.5515 3.5515 3.6811 3.6811 4.3618 4.3618 4.6910 4.6910 4.9855 4.9855 5.0800 5.0800 5.5630 5.5630 5.6726 5.6726 5.8180 5.8180 6.2963 6.2963 6.4309 6.4309 6.8967 6.8967 8.3464 8.3464 8.7018 8.7018 9.3123 9.3123 9.4716 9.4716 9.5464 9.5464 9.9322 9.9322 10.0156 10.0156 10.6547 10.6547 k = 0.2857-0.0000-0.0000 ( 7808 PWs) bands (ev): -3.2984 -3.2984 -2.5015 -2.5015 -2.4562 -2.4562 -2.2126 -2.2126 3.5800 3.5800 3.7154 3.7154 4.3289 4.3289 4.6687 4.6687 4.9431 4.9431 5.0531 5.0531 5.4673 5.4673 5.6525 5.6525 5.8053 5.8053 6.2790 6.2790 6.3796 6.3796 6.8378 6.8378 8.3689 8.3689 8.6795 8.6795 9.2885 9.2885 9.4152 9.4152 9.5840 9.5840 9.9182 9.9182 10.0772 10.0772 10.6244 10.6244 k = 0.2976-0.0000-0.0000 ( 7836 PWs) bands (ev): -3.2488 -3.2488 -2.4872 -2.4872 -2.4429 -2.4429 -2.2010 -2.2010 3.6063 3.6063 3.7448 3.7448 4.2887 4.2887 4.6632 4.6632 4.8965 4.8965 5.0225 5.0225 5.3684 5.3684 5.6453 5.6453 5.7973 5.7973 6.2607 6.2607 6.3340 6.3340 6.7808 6.7808 8.3912 8.3912 8.6559 8.6559 9.2631 9.2631 9.3567 9.3567 9.6268 9.6268 9.8904 9.8904 10.1456 10.1456 10.5996 10.5996 k = 0.3095-0.0000-0.0000 ( 7836 PWs) bands (ev): -3.1982 -3.1982 -2.4731 -2.4731 -2.4299 -2.4299 -2.1912 -2.1912 3.6305 3.6305 3.7664 3.7664 4.2498 4.2498 4.6660 4.6660 4.8486 4.8486 4.9858 4.9858 5.2798 5.2798 5.6415 5.6415 5.7933 5.7933 6.2386 6.2386 6.2963 6.2963 6.7258 6.7258 8.4133 8.4133 8.6316 8.6316 9.2367 9.2367 9.2986 9.2986 9.6714 9.6714 9.8605 9.8605 10.2013 10.2013 10.5888 10.5888 k = 0.3214-0.0000-0.0000 ( 7836 PWs) bands (ev): -3.1467 -3.1467 -2.4591 -2.4591 -2.4173 -2.4173 -2.1832 -2.1832 3.6525 3.6525 3.7772 3.7772 4.2201 4.2201 4.6651 4.6651 4.8025 4.8025 4.9443 4.9443 5.2081 5.2081 5.6386 5.6386 5.7922 5.7922 6.2100 6.2100 6.2691 6.2691 6.6730 6.6730 8.4353 8.4353 8.6075 8.6075 9.2091 9.2091 9.2423 9.2423 9.7158 9.7158 9.8313 9.8313 10.2313 10.2313 10.6032 10.6032 k = 0.3333-0.0000-0.0000 ( 7828 PWs) bands (ev): -3.0946 -3.0946 -2.4455 -2.4455 -2.4051 -2.4051 -2.1774 -2.1774 3.6722 3.6722 3.7754 3.7754 4.2044 4.2044 4.6479 4.6479 4.7538 4.7538 4.9130 4.9130 5.1546 5.1546 5.6361 5.6361 5.7929 5.7929 6.1767 6.1767 6.2500 6.2500 6.6224 6.6224 8.4572 8.4572 8.5843 8.5843 9.1752 9.1752 9.1934 9.1934 9.7553 9.7553 9.8074 9.8074 10.2304 10.2304 10.6480 10.6480 k = 0.3452-0.0000-0.0000 ( 7828 PWs) bands (ev): -3.0420 -3.0420 -2.4321 -2.4321 -2.3935 -2.3935 -2.1740 -2.1740 3.6893 3.6893 3.7623 3.7623 4.2030 4.2030 4.6130 4.6130 4.6887 4.6887 4.9113 4.9113 5.1153 5.1153 5.6343 5.6343 5.7941 5.7941 6.1427 6.1427 6.2351 6.2351 6.5741 6.5741 8.4791 8.4791 8.5626 8.5626 9.1256 9.1256 9.1617 9.1617 9.7603 9.7603 9.8184 9.8184 10.2057 10.2057 10.7027 10.7028 k = 0.3571-0.0000-0.0000 ( 7832 PWs) bands (ev): -2.9891 -2.9891 -2.4192 -2.4192 -2.3826 -2.3826 -2.1731 -2.1731 3.7012 3.7012 3.7446 3.7446 4.2120 4.2120 4.5696 4.5696 4.6084 4.6084 4.9350 4.9350 5.0854 5.0854 5.6334 5.6334 5.7947 5.7947 6.1098 6.1098 6.2220 6.2220 6.5281 6.5281 8.5006 8.5006 8.5434 8.5434 9.0729 9.0729 9.1347 9.1347 9.7381 9.7381 9.8566 9.8566 10.1674 10.1674 10.6644 10.6644 k = 0.3690-0.0000-0.0000 ( 7822 PWs) bands (ev): -2.9361 -2.9361 -2.4068 -2.4068 -2.3723 -2.3723 -2.1751 -2.1751 3.6955 3.6955 3.7397 3.7397 4.2245 4.2245 4.5185 4.5185 4.5308 4.5308 4.9701 4.9701 5.0627 5.0627 5.6334 5.6334 5.7941 5.7941 6.0788 6.0788 6.2100 6.2100 6.4843 6.4843 8.5159 8.5159 8.5334 8.5334 9.0211 9.0211 9.1086 9.1086 9.7145 9.7145 9.8959 9.8959 10.1219 10.1219 10.6246 10.6246 k = 0.3810-0.0000-0.0000 ( 7818 PWs) bands (ev): -2.8831 -2.8831 -2.3949 -2.3949 -2.3629 -2.3629 -2.1800 -2.1800 3.6736 3.6736 3.7504 3.7504 4.2307 4.2307 4.4361 4.4361 4.4943 4.4943 4.9978 4.9978 5.0574 5.0574 5.6344 5.6344 5.7919 5.7919 6.0500 6.0500 6.1985 6.1985 6.4427 6.4427 8.5075 8.5075 8.5506 8.5506 8.9708 8.9708 9.0829 9.0829 9.6927 9.6927 9.9331 9.9331 10.0735 10.0735 10.5842 10.5842 k = 0.3929-0.0000-0.0000 ( 7818 PWs) bands (ev): -2.8304 -2.8304 -2.3838 -2.3838 -2.3543 -2.3543 -2.1880 -2.1880 3.6503 3.6503 3.7650 3.7650 4.2179 4.2179 4.3597 4.3597 4.4766 4.4766 4.9922 4.9922 5.0906 5.0906 5.6361 5.6361 5.7881 5.7881 6.0233 6.0233 6.1874 6.1874 6.4030 6.4030 8.4971 8.4971 8.5737 8.5737 8.9222 8.9222 9.0576 9.0576 9.6734 9.6734 9.9655 9.9655 10.0263 10.0263 10.5439 10.5439 k = 0.4048-0.0000-0.0000 ( 7810 PWs) bands (ev): -2.7782 -2.7782 -2.3733 -2.3733 -2.3467 -2.3467 -2.1993 -2.1993 3.6305 3.6305 3.7809 3.7809 4.1768 4.1768 4.2971 4.2971 4.4799 4.4799 4.9723 4.9723 5.1405 5.1405 5.6381 5.6381 5.7833 5.7833 5.9987 5.9987 6.1768 6.1768 6.3652 6.3652 8.4898 8.4898 8.5980 8.5980 8.8754 8.8754 9.0324 9.0324 9.6570 9.6570 9.9631 9.9631 10.0118 10.0118 10.5041 10.5041 k = 0.4167-0.0000-0.0000 ( 7812 PWs) bands (ev): -2.7268 -2.7268 -2.3637 -2.3637 -2.3400 -2.3400 -2.2138 -2.2138 3.6158 3.6158 3.7980 3.7980 4.1147 4.1147 4.2457 4.2457 4.5000 4.5000 4.9491 4.9491 5.1942 5.1942 5.6394 5.6394 5.7783 5.7783 5.9760 5.9760 6.1669 6.1669 6.3292 6.3292 8.4863 8.4863 8.6230 8.6230 8.8309 8.8309 9.0073 9.0073 9.6441 9.6441 9.9187 9.9187 10.0382 10.0382 10.4650 10.4650 k = 0.4286-0.0000-0.0000 ( 7806 PWs) bands (ev): -2.6763 -2.6763 -2.3549 -2.3549 -2.3344 -2.3344 -2.2317 -2.2317 3.6074 3.6074 3.8164 3.8164 4.0453 4.0453 4.1992 4.1992 4.5295 4.5295 4.9242 4.9242 5.2486 5.2486 5.6387 5.6387 5.7748 5.7748 5.9548 5.9548 6.1580 6.1580 6.2951 6.2951 8.4868 8.4868 8.6482 8.6482 8.7890 8.7890 8.9821 8.9821 9.6347 9.6347 9.8728 9.8728 10.0666 10.0666 10.4271 10.4271 k = 0.4405-0.0000-0.0000 ( 7814 PWs) bands (ev): -2.6271 -2.6271 -2.3471 -2.3471 -2.3300 -2.3300 -2.2529 -2.2529 3.6058 3.6058 3.8363 3.8363 3.9764 3.9764 4.1550 4.1550 4.5638 4.5638 4.8979 4.8979 5.3023 5.3023 5.6339 5.6339 5.7745 5.7745 5.9347 5.9347 6.1505 6.1505 6.2631 6.2631 8.4914 8.4914 8.6717 8.6717 8.7516 8.7516 8.9567 8.9567 9.6293 9.6293 9.8291 9.8291 10.0942 10.0942 10.3905 10.3905 k = 0.4524-0.0000-0.0000 ( 7822 PWs) bands (ev): -2.5793 -2.5793 -2.3403 -2.3403 -2.3268 -2.3268 -2.2772 -2.2772 3.6112 3.6112 3.8580 3.8580 3.9110 3.9110 4.1127 4.1127 4.6002 4.6002 4.8702 4.8702 5.3541 5.3541 5.6238 5.6238 5.7789 5.7789 5.9153 5.9153 6.1449 6.1449 6.2336 6.2336 8.5002 8.5002 8.6823 8.6823 8.7301 8.7301 8.9309 8.9309 9.6281 9.6281 9.7887 9.7887 10.1210 10.1210 10.3553 10.3553 k = 0.4643-0.0000-0.0000 ( 7822 PWs) bands (ev): -2.5333 -2.5333 -2.3345 -2.3345 -2.3255 -2.3255 -2.3040 -2.3040 3.6240 3.6240 3.8504 3.8504 3.8817 3.8817 4.0725 4.0725 4.6371 4.6371 4.8411 4.8411 5.4030 5.4030 5.6078 5.6078 5.7883 5.7883 5.8961 5.8961 6.1418 6.1418 6.2074 6.2074 8.5130 8.5130 8.6609 8.6609 8.7434 8.7434 8.9047 8.9047 9.6314 9.6314 9.7522 9.7522 10.1476 10.1476 10.3216 10.3216 k = 0.4762-0.0000-0.0000 ( 7838 PWs) bands (ev): -2.4892 -2.4892 -2.3389 -2.3389 -2.3297 -2.3297 -2.3206 -2.3206 3.6440 3.6440 3.7959 3.7959 3.9075 3.9075 4.0347 4.0347 4.6739 4.6739 4.8105 4.8105 5.4485 5.4485 5.5859 5.5859 5.8020 5.8020 5.8768 5.8768 6.1419 6.1419 6.1851 6.1851 8.5298 8.5298 8.6306 8.6306 8.7685 8.7685 8.8780 8.8780 9.6393 9.6393 9.7200 9.7200 10.1742 10.1742 10.2895 10.2895 k = 0.4881-0.0000-0.0000 ( 7822 PWs) bands (ev): -2.4474 -2.4474 -2.3715 -2.3715 -2.3261 -2.3261 -2.3220 -2.3220 3.6714 3.6714 3.7476 3.7476 3.9356 3.9356 3.9992 3.9992 4.7099 4.7099 4.7783 4.7783 5.4898 5.4898 5.5588 5.5588 5.8189 5.8189 5.8571 5.8571 6.1458 6.1458 6.1672 6.1672 8.5502 8.5502 8.6011 8.6011 8.7957 8.7957 8.8508 8.8508 9.6521 9.6521 9.6925 9.6925 10.2015 10.2015 10.2588 10.2588 k = 0.5000-0.0000-0.0000 ( 7816 PWs) bands (ev): -2.4080 -2.4080 -2.4080 -2.4080 -2.3236 -2.3236 -2.3236 -2.3236 3.7060 3.7060 3.7060 3.7060 3.9662 3.9662 3.9662 3.9662 4.7448 4.7448 4.7448 4.7448 5.5266 5.5266 5.5266 5.5266 5.8376 5.8376 5.8376 5.8376 6.1542 6.1542 6.1542 6.1542 8.5742 8.5742 8.5742 8.5742 8.8233 8.8233 8.8233 8.8233 9.6698 9.6698 9.6698 9.6698 10.2296 10.2296 10.2296 10.2296 k = 0.5000-0.0000-0.0000 ( 7816 PWs) bands (ev): -2.4080 -2.4080 -2.4080 -2.4080 -2.3236 -2.3236 -2.3236 -2.3236 3.7060 3.7060 3.7060 3.7060 3.9662 3.9662 3.9662 3.9662 4.7448 4.7448 4.7448 4.7448 5.5266 5.5266 5.5266 5.5266 5.8376 5.8376 5.8376 5.8376 6.1542 6.1542 6.1542 6.1542 8.5742 8.5742 8.5742 8.5742 8.8233 8.8233 8.8233 8.8233 9.6698 9.6698 9.6698 9.6698 10.2296 10.2296 10.2296 10.2296 k = 0.5000 0.0118-0.0000 ( 7820 PWs) bands (ev): -2.4088 -2.4088 -2.4086 -2.4086 -2.3229 -2.3229 -2.3228 -2.3228 3.6961 3.6961 3.6990 3.6990 3.9669 3.9669 3.9775 3.9775 4.7350 4.7350 4.7607 4.7607 5.5137 5.5137 5.5358 5.5358 5.8310 5.8310 5.8465 5.8465 6.1440 6.1440 6.1691 6.1691 8.5623 8.5623 8.5717 8.5717 8.8177 8.8177 8.8355 8.8355 9.6730 9.6730 9.6748 9.6748 10.2289 10.2289 10.2323 10.2323 k = 0.5000 0.0236-0.0000 ( 7822 PWs) bands (ev): -2.4107 -2.4107 -2.4104 -2.4104 -2.3208 -2.3208 -2.3205 -2.3205 3.6715 3.6715 3.6775 3.6775 3.9777 3.9777 3.9981 3.9981 4.7316 4.7316 4.7824 4.7824 5.4980 5.4980 5.5400 5.5400 5.8280 5.8280 5.8568 5.8568 6.1387 6.1387 6.1886 6.1886 8.5391 8.5391 8.5546 8.5546 8.8191 8.8191 8.8511 8.8511 9.6844 9.6844 9.6878 9.6878 10.2304 10.2304 10.2370 10.2370 k = 0.5000 0.0354-0.0000 ( 7818 PWs) bands (ev): -2.4137 -2.4137 -2.4133 -2.4133 -2.3174 -2.3174 -2.3171 -2.3171 3.6369 3.6369 3.6460 3.6460 3.9943 3.9943 4.0236 4.0236 4.7345 4.7345 4.8094 4.8094 5.4808 5.4808 5.5385 5.5385 5.8299 5.8299 5.8679 5.8679 6.1377 6.1377 6.2122 6.2122 8.5085 8.5085 8.5260 8.5260 8.8248 8.8248 8.8665 8.8665 9.7039 9.7039 9.7086 9.7086 10.2341 10.2341 10.2436 10.2436 k = 0.5000 0.0472-0.0000 ( 7810 PWs) bands (ev): -2.4174 -2.4174 -2.4170 -2.4170 -2.3131 -2.3131 -2.3127 -2.3127 3.5963 3.5963 3.6083 3.6083 4.0132 4.0132 4.0503 4.0503 4.7438 4.7438 4.8410 4.8410 5.4627 5.4627 5.5311 5.5311 5.8371 5.8371 5.8795 5.8795 6.1405 6.1405 6.2391 6.2391 8.4732 8.4732 8.4899 8.4899 8.8314 8.8314 8.8790 8.8790 9.7314 9.7314 9.7369 9.7369 10.2399 10.2399 10.2520 10.2520 k = 0.5000 0.0591-0.0000 ( 7830 PWs) bands (ev): -2.4217 -2.4217 -2.4212 -2.4212 -2.3080 -2.3080 -2.3076 -2.3076 3.5526 3.5526 3.5669 3.5669 4.0322 4.0322 4.0757 4.0757 4.7589 4.7589 4.8763 4.8763 5.4444 5.4444 5.5187 5.5187 5.8496 5.8496 5.8917 5.8917 6.1464 6.1464 6.2684 6.2684 8.4354 8.4354 8.4494 8.4494 8.8365 8.8365 8.8874 8.8874 9.7663 9.7663 9.7722 9.7722 10.2478 10.2478 10.2620 10.2620 k = 0.5000 0.0709-0.0000 ( 7826 PWs) bands (ev): -2.4263 -2.4263 -2.4258 -2.4258 -2.3025 -2.3025 -2.3020 -2.3020 3.5075 3.5075 3.5234 3.5234 4.0501 4.0501 4.0988 4.0988 4.7794 4.7794 4.9145 4.9145 5.4264 5.4264 5.5024 5.5024 5.8668 5.8668 5.9046 5.9046 6.1548 6.1548 6.2992 6.2992 8.3966 8.3966 8.4067 8.4067 8.8388 8.8388 8.8910 8.8910 9.8079 9.8079 9.8139 9.8139 10.2577 10.2577 10.2735 10.2735 k = 0.5000 0.0827-0.0000 ( 7842 PWs) bands (ev): -2.4311 -2.4311 -2.4306 -2.4306 -2.2966 -2.2966 -2.2961 -2.2961 3.4620 3.4620 3.4791 3.4791 4.0666 4.0666 4.1189 4.1189 4.8043 4.8043 4.9544 4.9544 5.4094 5.4094 5.4837 5.4837 5.8880 5.8880 5.9182 5.9182 6.1649 6.1649 6.3306 6.3306 8.3578 8.3578 8.3636 8.3636 8.8377 8.8377 8.8898 8.8898 9.8552 9.8552 9.8612 9.8612 10.2696 10.2696 10.2862 10.2862 k = 0.5000 0.0945-0.0000 ( 7838 PWs) bands (ev): -2.4359 -2.4359 -2.4354 -2.4354 -2.2906 -2.2906 -2.2901 -2.2901 3.4172 3.4172 3.4349 3.4349 4.0814 4.0814 4.1359 4.1359 4.8328 4.8328 4.9950 4.9950 5.3937 5.3937 5.4639 5.4639 5.9123 5.9123 5.9328 5.9328 6.1760 6.1760 6.3618 6.3618 8.3199 8.3199 8.3212 8.3212 8.8333 8.8333 8.8844 8.8844 9.9073 9.9073 9.9133 9.9133 10.2832 10.2832 10.3001 10.3001 k = 0.5000 0.1063-0.0000 ( 7826 PWs) bands (ev): -2.4407 -2.4407 -2.4401 -2.4401 -2.2845 -2.2845 -2.2840 -2.2840 3.3734 3.3734 3.3913 3.3913 4.0947 4.0947 4.1500 4.1500 4.8636 4.8636 5.0349 5.0349 5.3797 5.3797 5.4444 5.4444 5.9394 5.9394 5.9483 5.9483 6.1876 6.1876 6.3920 6.3920 8.2803 8.2803 8.2836 8.2836 8.8257 8.8257 8.8752 8.8752 9.9630 9.9630 9.9692 9.9692 10.2986 10.2986 10.3150 10.3150 k = 0.5000 0.1181-0.0000 ( 7830 PWs) bands (ev): -2.4453 -2.4453 -2.4448 -2.4448 -2.2785 -2.2785 -2.2780 -2.2780 3.3313 3.3313 3.3489 3.3489 4.1066 4.1066 4.1615 4.1615 4.8956 4.8956 5.0728 5.0728 5.3680 5.3680 5.4262 5.4262 5.9647 5.9647 5.9687 5.9687 6.1991 6.1991 6.4202 6.4202 8.2418 8.2418 8.2493 8.2493 8.8156 8.8156 8.8628 8.8628 10.0213 10.0213 10.0281 10.0281 10.3154 10.3154 10.3306 10.3306 k = 0.5000 0.1299-0.0000 ( 7812 PWs) bands (ev): -2.4498 -2.4498 -2.4493 -2.4493 -2.2726 -2.2726 -2.2721 -2.2721 3.2911 3.2911 3.3082 3.3082 4.1171 4.1171 4.1706 4.1706 4.9276 4.9276 5.1071 5.1071 5.3590 5.3590 5.4109 5.4109 5.9818 5.9818 5.9998 5.9998 6.2101 6.2101 6.4459 6.4459 8.2061 8.2061 8.2176 8.2176 8.8033 8.8033 8.8480 8.8480 10.0809 10.0809 10.0890 10.0890 10.3338 10.3338 10.3468 10.3468 k = 0.5000 0.1417-0.0000 ( 7804 PWs) bands (ev): -2.4540 -2.4540 -2.4535 -2.4535 -2.2669 -2.2669 -2.2665 -2.2665 3.2533 3.2533 3.2696 3.2696 4.1265 4.1265 4.1777 4.1777 4.9584 4.9584 5.1360 5.1360 5.3533 5.3533 5.3998 5.3998 5.9997 5.9997 6.0323 6.0323 6.2200 6.2200 6.4684 6.4684 8.1739 8.1739 8.1886 8.1886 8.7895 8.7895 8.8314 8.8314 10.1406 10.1406 10.1509 10.1509 10.3536 10.3536 10.3635 10.3635 k = 0.5000 0.1535-0.0000 ( 7810 PWs) bands (ev): -2.4579 -2.4579 -2.4575 -2.4575 -2.2615 -2.2615 -2.2611 -2.2611 3.2180 3.2180 3.2334 3.2334 4.1350 4.1350 4.1832 4.1832 4.9868 4.9868 5.1576 5.1576 5.3512 5.3512 5.3944 5.3944 6.0181 6.0181 6.0660 6.0660 6.2288 6.2288 6.4870 6.4870 8.1455 8.1455 8.1628 8.1628 8.7746 8.7746 8.8136 8.8136 10.1989 10.1989 10.2125 10.2125 10.3752 10.3752 10.3806 10.3806 k = 0.5000 0.1654-0.0000 ( 7808 PWs) bands (ev): -2.4616 -2.4616 -2.4611 -2.4611 -2.2564 -2.2564 -2.2561 -2.2561 3.1856 3.1856 3.1997 3.1997 4.1426 4.1426 4.1872 4.1872 5.0121 5.0121 5.1707 5.1707 5.3531 5.3531 5.3956 5.3956 6.0369 6.0369 6.1002 6.1002 6.2362 6.2362 6.5013 6.5013 8.1211 8.1211 8.1400 8.1400 8.7593 8.7593 8.7952 8.7952 10.2540 10.2540 10.2725 10.2725 10.3983 10.3983 10.3990 10.3990 k = 0.5000 0.1772-0.0000 ( 7808 PWs) bands (ev): -2.4649 -2.4649 -2.4645 -2.4645 -2.2518 -2.2518 -2.2514 -2.2514 3.1562 3.1562 3.1690 3.1690 4.1494 4.1494 4.1900 4.1900 5.0336 5.0336 5.1758 5.1758 5.3590 5.3590 5.4027 5.4027 6.0558 6.0558 6.1343 6.1343 6.2426 6.2426 6.5109 6.5109 8.1008 8.1008 8.1205 8.1205 8.7439 8.7439 8.7766 8.7766 10.3035 10.3035 10.3287 10.3287 10.4174 10.4174 10.4261 10.4261 k = 0.5000 0.1890-0.0000 ( 7814 PWs) bands (ev): -2.4678 -2.4678 -2.4675 -2.4675 -2.2475 -2.2475 -2.2472 -2.2472 3.1299 3.1299 3.1413 3.1413 4.1556 4.1556 4.1918 4.1918 5.0513 5.0513 5.1744 5.1744 5.3685 5.3685 5.4137 5.4137 6.0747 6.0747 6.1667 6.1667 6.2488 6.2488 6.5155 6.5155 8.0845 8.0845 8.1040 8.1040 8.7291 8.7291 8.7583 8.7583 10.3450 10.3450 10.3765 10.3765 10.4411 10.4411 10.4575 10.4575 k = 0.5000 0.2008-0.0000 ( 7814 PWs) bands (ev): -2.4704 -2.4704 -2.4701 -2.4701 -2.2438 -2.2438 -2.2435 -2.2435 3.1070 3.1070 3.1169 3.1169 4.1612 4.1612 4.1928 4.1928 5.0656 5.0656 5.1688 5.1688 5.3809 5.3809 5.4262 5.4262 6.0933 6.0933 6.1941 6.1941 6.2578 6.2578 6.5152 6.5152 8.0721 8.0721 8.0904 8.0904 8.7153 8.7153 8.7409 8.7409 10.3774 10.3774 10.4095 10.4095 10.4743 10.4743 10.4928 10.4928 k = 0.5000 0.2126-0.0000 ( 7818 PWs) bands (ev): -2.4726 -2.4726 -2.4724 -2.4724 -2.2405 -2.2405 -2.2403 -2.2403 3.0875 3.0875 3.0959 3.0959 4.1663 4.1663 4.1929 4.1929 5.0770 5.0770 5.1609 5.1609 5.3950 5.3950 5.4381 5.4381 6.1113 6.1113 6.2108 6.2108 6.2751 6.2751 6.5099 6.5099 8.0630 8.0630 8.0795 8.0795 8.7030 8.7030 8.7248 8.7248 10.4021 10.4021 10.4292 10.4292 10.5140 10.5140 10.5292 10.5292 k = 0.5000 0.2244-0.0000 ( 7810 PWs) bands (ev): -2.4744 -2.4744 -2.4742 -2.4742 -2.2378 -2.2378 -2.2376 -2.2376 3.0716 3.0716 3.0784 3.0784 4.1710 4.1710 4.1925 4.1925 5.0863 5.0863 5.1519 5.1519 5.4097 5.4097 5.4479 5.4479 6.1287 6.1287 6.2155 6.2155 6.3014 6.3014 6.4998 6.4998 8.0570 8.0570 8.0709 8.0709 8.6927 8.6927 8.7105 8.7105 10.4210 10.4210 10.4420 10.4420 10.5522 10.5522 10.5632 10.5632 k = 0.5000 0.2362-0.0000 ( 7806 PWs) bands (ev): -2.4759 -2.4759 -2.4757 -2.4757 -2.2357 -2.2357 -2.2355 -2.2355 3.0594 3.0594 3.0644 3.0644 4.1752 4.1752 4.1914 4.1914 5.0944 5.0944 5.1426 5.1426 5.4238 5.4238 5.4547 5.4547 6.1452 6.1452 6.2133 6.2133 6.3315 6.3315 6.4853 6.4853 8.0534 8.0534 8.0643 8.0643 8.6847 8.6847 8.6982 8.6982 10.4354 10.4354 10.4507 10.4507 10.5846 10.5846 10.5921 10.5921 k = 0.5000 0.2480-0.0000 ( 7806 PWs) bands (ev): -2.4769 -2.4769 -2.4768 -2.4768 -2.2341 -2.2341 -2.2340 -2.2340 3.0508 3.0508 3.0542 3.0542 4.1789 4.1789 4.1898 4.1898 5.1019 5.1019 5.1336 5.1336 5.4364 5.4364 5.4581 5.4581 6.1606 6.1606 6.2071 6.2071 6.3621 6.3621 6.4668 6.4668 8.0519 8.0519 8.0593 8.0593 8.6794 8.6794 8.6885 8.6885 10.4461 10.4461 10.4561 10.4561 10.6092 10.6092 10.6138 10.6138 k = 0.5000 0.2598-0.0000 ( 7802 PWs) bands (ev): -2.4775 -2.4775 -2.4774 -2.4774 -2.2332 -2.2332 -2.2331 -2.2331 3.0460 3.0460 3.0477 3.0477 4.1823 4.1823 4.1878 4.1878 5.1093 5.1093 5.1250 5.1250 5.4467 5.4467 5.4578 5.4578 6.1747 6.1747 6.1983 6.1983 6.3918 6.3918 6.4447 6.4447 8.0519 8.0519 8.0556 8.0556 8.6770 8.6770 8.6816 8.6816 10.4534 10.4534 10.4583 10.4583 10.6248 10.6248 10.6270 10.6270 k = 0.5000 0.2716-0.0000 ( 7808 PWs) bands (ev): -2.4777 -2.4777 -2.4777 -2.4777 -2.2328 -2.2328 -2.2328 -2.2328 3.0450 3.0450 3.0450 3.0450 4.1852 4.1852 4.1852 4.1852 5.1169 5.1169 5.1169 5.1169 5.4539 5.4539 5.4539 5.4539 6.1874 6.1874 6.1874 6.1874 6.4195 6.4195 6.4195 6.4195 8.0532 8.0532 8.0532 8.0532 8.6778 8.6778 8.6778 8.6778 10.4574 10.4574 10.4574 10.4574 10.6308 10.6308 10.6308 10.6308 k = 0.5000 0.2716-0.0000 ( 7808 PWs) bands (ev): -2.4777 -2.4777 -2.4777 -2.4777 -2.2328 -2.2328 -2.2328 -2.2328 3.0450 3.0450 3.0450 3.0450 4.1852 4.1852 4.1852 4.1852 5.1169 5.1169 5.1169 5.1169 5.4539 5.4539 5.4539 5.4539 6.1874 6.1874 6.1874 6.1874 6.4195 6.4195 6.4195 6.4195 8.0532 8.0532 8.0532 8.0532 8.6778 8.6778 8.6778 8.6778 10.4574 10.4574 10.4574 10.4574 10.6308 10.6308 10.6308 10.6308 k = 0.4881 0.2716-0.0000 ( 7804 PWs) bands (ev): -2.4797 -2.4797 -2.4793 -2.4793 -2.2335 -2.2335 -2.2330 -2.2330 3.0488 3.0488 3.0490 3.0490 4.1825 4.1825 4.1913 4.1913 5.0949 5.0949 5.1304 5.1304 5.4344 5.4344 5.4770 5.4770 6.1836 6.1836 6.1873 6.1873 6.4096 6.4096 6.4341 6.4341 8.0530 8.0530 8.0537 8.0537 8.6801 8.6801 8.6803 8.6803 10.4554 10.4554 10.4592 10.4592 10.6285 10.6285 10.6312 10.6312 k = 0.4762 0.2716-0.0000 ( 7802 PWs) bands (ev): -2.4854 -2.4854 -2.4847 -2.4847 -2.2351 -2.2351 -2.2340 -2.2340 3.0604 3.0604 3.0610 3.0610 4.1829 4.1829 4.2006 4.2006 5.0661 5.0661 5.1331 5.1331 5.4208 5.4208 5.5015 5.5015 6.1770 6.1770 6.1829 6.1829 6.4052 6.4052 6.4522 6.4522 8.0533 8.0533 8.0547 8.0547 8.6873 8.6873 8.6877 8.6877 10.4532 10.4532 10.4606 10.4606 10.6243 10.6243 10.6296 10.6296 k = 0.4643 0.2716-0.0000 ( 7790 PWs) bands (ev): -2.4946 -2.4946 -2.4936 -2.4936 -2.2374 -2.2374 -2.2359 -2.2359 3.0799 3.0799 3.0807 3.0807 4.1864 4.1864 4.2134 4.2134 5.0318 5.0318 5.1238 5.1238 5.4150 5.4150 5.5264 5.5264 6.1684 6.1684 6.1743 6.1743 6.4059 6.4059 6.4726 6.4726 8.0542 8.0542 8.0564 8.0564 8.6990 8.6990 8.6997 8.6997 10.4504 10.4504 10.4612 10.4612 10.6188 10.6188 10.6263 10.6263 k = 0.4524 0.2716-0.0000 ( 7794 PWs) bands (ev): -2.5073 -2.5073 -2.5060 -2.5060 -2.2406 -2.2406 -2.2387 -2.2387 3.1071 3.1071 3.1081 3.1081 4.1928 4.1928 4.2295 4.2295 4.9930 4.9930 5.1028 5.1028 5.4170 5.4170 5.5507 5.5507 6.1586 6.1586 6.1624 6.1624 6.4108 6.4108 6.4940 6.4940 8.0561 8.0561 8.0590 8.0590 8.7148 8.7148 8.7160 8.7160 10.4465 10.4465 10.4602 10.4602 10.6125 10.6125 10.6218 10.6218 k = 0.4405 0.2716-0.0000 ( 7780 PWs) bands (ev): -2.5231 -2.5231 -2.5216 -2.5216 -2.2447 -2.2447 -2.2424 -2.2424 3.1418 3.1418 3.1430 3.1430 4.2017 4.2017 4.2489 4.2489 4.9504 4.9504 5.0723 5.0723 5.4254 5.4254 5.5742 5.5742 6.1481 6.1481 6.1481 6.1481 6.4187 6.4187 6.5155 6.5155 8.0595 8.0595 8.0629 8.0629 8.7344 8.7344 8.7361 8.7361 10.4411 10.4411 10.4567 10.4567 10.6067 10.6067 10.6167 10.6167 k = 0.4286 0.2716-0.0000 ( 7782 PWs) bands (ev): -2.5420 -2.5420 -2.5403 -2.5403 -2.2497 -2.2497 -2.2471 -2.2471 3.1837 3.1837 3.1851 3.1851 4.2128 4.2128 4.2715 4.2715 4.9044 4.9044 5.0352 5.0352 5.4381 5.4381 5.5968 5.5968 6.1324 6.1324 6.1373 6.1373 6.4282 6.4282 6.5363 6.5363 8.0645 8.0645 8.0684 8.0684 8.7572 8.7572 8.7597 8.7597 10.4333 10.4333 10.4495 10.4495 10.6022 10.6022 10.6118 10.6118 k = 0.4167 0.2716-0.0000 ( 7790 PWs) bands (ev): -2.5636 -2.5636 -2.5619 -2.5619 -2.2556 -2.2556 -2.2528 -2.2528 3.2327 3.2327 3.2341 3.2341 4.2256 4.2256 4.2974 4.2974 4.8555 4.8555 4.9939 4.9939 5.4536 5.4536 5.6184 5.6184 6.1160 6.1160 6.1264 6.1264 6.4384 6.4384 6.5557 6.5557 8.0717 8.0717 8.0757 8.0757 8.7828 8.7828 8.7863 8.7863 10.4224 10.4224 10.4377 10.4377 10.6001 10.6001 10.6075 10.6075 k = 0.4048 0.2716-0.0000 ( 7790 PWs) bands (ev): -2.5877 -2.5877 -2.5859 -2.5859 -2.2624 -2.2624 -2.2594 -2.2594 3.2883 3.2883 3.2897 3.2897 4.2395 4.2395 4.3261 4.3261 4.8044 4.8044 4.9506 4.9506 5.4706 5.4706 5.6391 5.6391 6.0995 6.0995 6.1155 6.1155 6.4486 6.4486 6.5734 6.5734 8.0810 8.0810 8.0851 8.0851 8.8106 8.8106 8.8153 8.8153 10.4081 10.4081 10.4211 10.4211 10.6007 10.6007 10.6043 10.6043 k = 0.3929 0.2716-0.0000 ( 7786 PWs) bands (ev): -2.6140 -2.6140 -2.6123 -2.6123 -2.2700 -2.2700 -2.2670 -2.2670 3.3503 3.3503 3.3516 3.3516 4.2536 4.2536 4.3576 4.3576 4.7515 4.7515 4.9073 4.9073 5.4884 5.4884 5.6588 5.6588 6.0832 6.0832 6.1049 6.1049 6.4583 6.4583 6.5892 6.5892 8.0927 8.0927 8.0965 8.0965 8.8401 8.8401 8.8462 8.8462 10.3900 10.3900 10.3998 10.3998 10.6024 10.6024 10.6034 10.6034 k = 0.3810 0.2716-0.0000 ( 7790 PWs) bands (ev): -2.6424 -2.6424 -2.6407 -2.6407 -2.2785 -2.2785 -2.2754 -2.2754 3.4182 3.4182 3.4194 3.4194 4.2665 4.2665 4.3913 4.3913 4.6978 4.6978 4.8659 4.8659 5.5063 5.5063 5.6774 5.6774 6.0677 6.0677 6.0947 6.0947 6.4672 6.4672 6.6030 6.6030 8.1065 8.1065 8.1099 8.1099 8.8710 8.8710 8.8787 8.8787 10.3685 10.3685 10.3745 10.3745 10.6015 10.6015 10.6078 10.6078 k = 0.3690 0.2716-0.0000 ( 7802 PWs) bands (ev): -2.6724 -2.6724 -2.6708 -2.6708 -2.2877 -2.2877 -2.2846 -2.2846 3.4916 3.4916 3.4925 3.4925 4.2769 4.2769 4.4259 4.4259 4.6446 4.6446 4.8287 4.8287 5.5238 5.5238 5.6946 5.6946 6.0535 6.0535 6.0853 6.0853 6.4754 6.4754 6.6150 6.6150 8.1223 8.1223 8.1249 8.1249 8.9029 8.9029 8.9124 8.9124 10.3437 10.3437 10.3460 10.3460 10.6012 10.6012 10.6129 10.6129 k = 0.3571 0.2716-0.0000 ( 7794 PWs) bands (ev): -2.7040 -2.7040 -2.7025 -2.7025 -2.2976 -2.2976 -2.2946 -2.2946 3.5700 3.5700 3.5704 3.5704 4.2826 4.2826 4.4574 4.4574 4.5965 4.5965 4.7981 4.7981 5.5404 5.5404 5.7099 5.7099 6.0412 6.0412 6.0768 6.0768 6.4828 6.4828 6.6253 6.6253 8.1397 8.1397 8.1413 8.1413 8.9352 8.9352 8.9467 8.9467 10.3148 10.3148 10.3162 10.3162 10.6010 10.6010 10.6181 10.6181 k = 0.3452 0.2716-0.0000 ( 7798 PWs) bands (ev): -2.7367 -2.7367 -2.7353 -2.7353 -2.3082 -2.3082 -2.3053 -2.3053 3.6525 3.6525 3.6526 3.6526 4.2817 4.2817 4.4683 4.4683 4.5712 4.5712 4.7766 4.7766 5.5556 5.5556 5.7224 5.7224 6.0318 6.0318 6.0699 6.0699 6.4896 6.4896 6.6344 6.6344 8.1582 8.1582 8.1586 8.1586 8.9676 8.9676 8.9813 8.9813 10.2815 10.2815 10.2863 10.2863 10.6004 10.6004 10.6226 10.6226 k = 0.3333 0.2716-0.0000 ( 7802 PWs) bands (ev): -2.7704 -2.7704 -2.7691 -2.7691 -2.3194 -2.3194 -2.3165 -2.3165 3.7380 3.7380 3.7384 3.7384 4.2729 4.2729 4.4378 4.4378 4.5901 4.5901 4.7661 4.7661 5.5689 5.5689 5.7314 5.7314 6.0264 6.0264 6.0651 6.0651 6.4960 6.4960 6.6425 6.6425 8.1763 8.1763 8.1773 8.1773 8.9997 8.9997 9.0158 9.0158 10.2466 10.2466 10.2544 10.2544 10.5990 10.5990 10.6261 10.6261 k = 0.3214 0.2716-0.0000 ( 7802 PWs) bands (ev): -2.8048 -2.8048 -2.8037 -2.8037 -2.3311 -2.3311 -2.3283 -2.3283 3.8258 3.8258 3.8262 3.8262 4.2566 4.2566 4.3892 4.3892 4.6304 4.6304 4.7673 4.7673 5.5798 5.5798 5.7360 5.7360 6.0260 6.0260 6.0629 6.0629 6.5024 6.5024 6.6502 6.6502 8.1938 8.1938 8.1964 8.1964 9.0311 9.0311 9.0499 9.0499 10.2105 10.2105 10.2211 10.2211 10.5966 10.5966 10.6280 10.6280 k = 0.3095 0.2716-0.0000 ( 7794 PWs) bands (ev): -2.8398 -2.8398 -2.8387 -2.8387 -2.3432 -2.3432 -2.3405 -2.3405 3.9128 3.9128 3.9139 3.9139 4.2359 4.2359 4.3382 4.3382 4.6777 4.6777 4.7795 4.7795 5.5878 5.5878 5.7358 5.7358 6.0314 6.0314 6.0640 6.0640 6.5090 6.5090 6.6578 6.6578 8.2107 8.2107 8.2149 8.2149 9.0615 9.0615 9.0830 9.0830 10.1736 10.1736 10.1866 10.1866 10.5931 10.5931 10.6283 10.6283 k = 0.2976 0.2716-0.0000 ( 7798 PWs) bands (ev): -2.8750 -2.8750 -2.8740 -2.8740 -2.3556 -2.3556 -2.3531 -2.3531 3.9904 3.9904 3.9981 3.9981 4.2198 4.2198 4.2920 4.2920 4.7286 4.7286 4.8010 4.8010 5.5927 5.5927 5.7310 5.7310 6.0428 6.0428 6.0689 6.0689 6.5161 6.5161 6.6658 6.6658 8.2264 8.2264 8.2323 8.2323 9.0905 9.0905 9.1150 9.1150 10.1362 10.1362 10.1513 10.1513 10.5886 10.5886 10.6269 10.6269 k = 0.2857 0.2716-0.0000 ( 7806 PWs) bands (ev): -2.9103 -2.9103 -2.9094 -2.9094 -2.3682 -2.3682 -2.3659 -2.3659 4.0375 4.0375 4.0650 4.0650 4.2309 4.2309 4.2641 4.2641 4.7819 4.7819 4.8302 4.8302 5.5945 5.5945 5.7226 5.7226 6.0596 6.0596 6.0778 6.0778 6.5241 6.5241 6.6746 6.6746 8.2403 8.2403 8.2479 8.2479 9.1177 9.1177 9.1453 9.1453 10.0985 10.0985 10.1154 10.1154 10.5832 10.5832 10.6240 10.6240 k = 0.2738 0.2716-0.0000 ( 7802 PWs) bands (ev): -2.9454 -2.9454 -2.9447 -2.9447 -2.3811 -2.3811 -2.3788 -2.3788 4.0361 4.0361 4.0836 4.0836 4.2851 4.2851 4.2878 4.2878 4.8372 4.8372 4.8652 4.8652 5.5936 5.5936 5.7120 5.7120 6.0811 6.0811 6.0908 6.0908 6.5333 6.5333 6.6846 6.6846 8.2520 8.2520 8.2614 8.2614 9.1428 9.1428 9.1737 9.1737 10.0609 10.0609 10.0794 10.0794 10.5774 10.5774 10.6201 10.6201 k = 0.2619 0.2716-0.0000 ( 7792 PWs) bands (ev): -2.9803 -2.9803 -2.9796 -2.9796 -2.3940 -2.3940 -2.3919 -2.3919 4.0066 4.0066 4.0556 4.0556 4.3526 4.3526 4.3705 4.3705 4.8936 4.8936 4.9048 4.9048 5.5907 5.5907 5.7009 5.7009 6.1065 6.1065 6.1079 6.1079 6.5439 6.5439 6.6963 6.6963 8.2612 8.2612 8.2724 8.2724 9.1656 9.1656 9.1998 9.1998 10.0235 10.0235 10.0434 10.0434 10.5713 10.5713 10.6155 10.6155 k = 0.2500 0.2716-0.0000 ( 7806 PWs) bands (ev): -3.0146 -3.0146 -3.0141 -3.0141 -2.4069 -2.4069 -2.4050 -2.4050 3.9670 3.9670 4.0114 4.0114 4.4352 4.4352 4.4604 4.4604 4.9479 4.9479 4.9506 4.9506 5.5873 5.5873 5.6913 5.6913 6.1285 6.1285 6.1350 6.1350 6.5564 6.5564 6.7099 6.7099 8.2676 8.2676 8.2806 8.2806 9.1858 9.1858 9.2233 9.2233 9.9867 9.9867 10.0078 10.0078 10.5654 10.5654 10.6107 10.6107 k = 0.2381 0.2716-0.0000 ( 7794 PWs) bands (ev): -3.0483 -3.0483 -3.0479 -3.0479 -2.4198 -2.4198 -2.4180 -2.4180 3.9237 3.9237 3.9631 3.9631 4.5199 4.5199 4.5505 4.5505 4.9936 4.9936 5.0067 5.0067 5.5849 5.5849 5.6854 5.6854 6.1523 6.1523 6.1662 6.1662 6.5710 6.5710 6.7260 6.7260 8.2709 8.2709 8.2857 8.2857 9.2031 9.2031 9.2439 9.2439 9.9507 9.9507 9.9728 9.9728 10.5597 10.5597 10.6059 10.6059 k = 0.2262 0.2716-0.0000 ( 7798 PWs) bands (ev): -3.0813 -3.0813 -3.0809 -3.0809 -2.4325 -2.4325 -2.4308 -2.4308 3.8792 3.8792 3.9141 3.9141 4.6023 4.6023 4.6370 4.6370 5.0403 5.0403 5.0602 5.0602 5.5861 5.5861 5.6859 5.6859 6.1787 6.1787 6.1994 6.1994 6.5882 6.5882 6.7448 6.7448 8.2712 8.2712 8.2877 8.2877 9.2174 9.2174 9.2612 9.2612 9.9158 9.9158 9.9389 9.9389 10.5540 10.5540 10.6011 10.6011 k = 0.2143 0.2716-0.0000 ( 7798 PWs) bands (ev): -3.1132 -3.1132 -3.1129 -3.1129 -2.4450 -2.4450 -2.4434 -2.4434 3.8348 3.8348 3.8657 3.8657 4.6802 4.6802 4.7177 4.7177 5.0859 5.0859 5.1083 5.1083 5.5938 5.5938 5.6958 5.6958 6.2072 6.2072 6.2343 6.2343 6.6085 6.6085 6.7667 6.7667 8.2683 8.2683 8.2865 8.2865 9.2283 9.2283 9.2750 9.2750 9.8822 9.8822 9.9062 9.9062 10.5482 10.5482 10.5960 10.5960 k = 0.2024 0.2716-0.0000 ( 7782 PWs) bands (ev): -3.1442 -3.1442 -3.1439 -3.1439 -2.4573 -2.4573 -2.4558 -2.4558 3.7910 3.7910 3.8186 3.8186 4.7524 4.7524 4.7909 4.7909 5.1273 5.1273 5.1482 5.1482 5.6118 5.6118 5.7178 5.7178 6.2373 6.2373 6.2705 6.2705 6.6324 6.6324 6.7922 6.7922 8.2626 8.2626 8.2824 8.2824 9.2357 9.2357 9.2849 9.2849 9.8502 9.8502 9.8752 9.8752 10.5417 10.5417 10.5903 10.5903 k = 0.1905 0.2716-0.0000 ( 7786 PWs) bands (ev): -3.1739 -3.1739 -3.1737 -3.1737 -2.4691 -2.4691 -2.4678 -2.4678 3.7486 3.7486 3.7732 3.7732 4.8183 4.8183 4.8559 4.8559 5.1609 5.1609 5.1776 5.1776 5.6433 5.6433 5.7538 5.7538 6.2685 6.2685 6.3076 6.3076 6.6606 6.6606 6.8216 6.8216 8.2541 8.2541 8.2755 8.2755 9.2394 9.2394 9.2904 9.2904 9.8202 9.8202 9.8462 9.8462 10.5341 10.5341 10.5832 10.5832 k = 0.1786 0.2716-0.0000 ( 7794 PWs) bands (ev): -3.2023 -3.2023 -3.2021 -3.2021 -2.4806 -2.4806 -2.4793 -2.4793 3.7077 3.7077 3.7297 3.7297 4.8777 4.8777 4.9127 4.9127 5.1844 5.1844 5.1961 5.1961 5.6898 5.6898 5.8030 5.8030 6.3005 6.3005 6.3453 6.3453 6.6939 6.6939 6.8554 6.8554 8.2430 8.2430 8.2661 8.2661 9.2389 9.2389 9.2913 9.2913 9.7924 9.7924 9.8196 9.8196 10.5249 10.5249 10.5743 10.5743 k = 0.1667 0.2716-0.0000 ( 7802 PWs) bands (ev): -3.2293 -3.2293 -3.2292 -3.2292 -2.4916 -2.4916 -2.4904 -2.4904 3.6686 3.6686 3.6884 3.6884 4.9305 4.9305 4.9618 4.9618 5.1980 5.1980 5.2051 5.2051 5.7497 5.7497 5.8625 5.8625 6.3328 6.3328 6.3829 6.3829 6.7334 6.7334 6.8941 6.8941 8.2298 8.2298 8.2543 8.2543 9.2341 9.2341 9.2870 9.2870 9.7671 9.7671 9.7957 9.7957 10.5134 10.5134 10.5629 10.5629 k = 0.1548 0.2716-0.0000 ( 7802 PWs) bands (ev): -3.2549 -3.2549 -3.2548 -3.2548 -2.5020 -2.5020 -2.5010 -2.5010 3.6316 3.6316 3.6494 3.6494 4.9767 4.9767 5.0035 5.0035 5.2038 5.2038 5.2074 5.2074 5.8193 5.8193 5.9284 5.9284 6.3650 6.3650 6.4200 6.4200 6.7802 6.7802 6.9381 6.9381 8.2146 8.2146 8.2406 8.2406 9.2247 9.2247 9.2774 9.2774 9.7445 9.7445 9.7745 9.7745 10.4994 10.4994 10.5485 10.5485 k = 0.1429 0.2716-0.0000 ( 7806 PWs) bands (ev): -3.2788 -3.2788 -3.2788 -3.2788 -2.5119 -2.5119 -2.5110 -2.5110 3.5969 3.5969 3.6128 3.6128 5.0163 5.0163 5.0381 5.0381 5.2051 5.2051 5.2057 5.2057 5.8942 5.8942 5.9964 5.9964 6.3970 6.3970 6.4559 6.4559 6.8351 6.8351 6.9877 6.9877 8.1979 8.1979 8.2252 8.2252 9.2106 9.2106 9.2622 9.2622 9.7247 9.7247 9.7561 9.7561 10.4827 10.4827 10.5309 10.5309 k = 0.1310 0.2716-0.0000 ( 7808 PWs) bands (ev): -3.3011 -3.3011 -3.3011 -3.3011 -2.5212 -2.5212 -2.5204 -2.5204 3.5645 3.5645 3.5787 3.5787 5.0487 5.0487 5.0652 5.0652 5.2028 5.2028 5.2050 5.2050 5.9704 5.9704 6.0632 6.0632 6.4284 6.4284 6.4901 6.4901 6.8989 6.8989 7.0431 7.0431 8.1798 8.1798 8.2083 8.2083 9.1919 9.1919 9.2416 9.2416 9.7078 9.7078 9.7403 9.7403 10.4632 10.4632 10.5101 10.5101 k = 0.1190 0.2716-0.0000 ( 7820 PWs) bands (ev): -3.3217 -3.3217 -3.3217 -3.3217 -2.5298 -2.5298 -2.5291 -2.5291 3.5347 3.5347 3.5472 3.5472 5.0730 5.0730 5.0843 5.0843 5.2016 5.2016 5.2063 5.2063 6.0446 6.0446 6.1262 6.1262 6.4590 6.4590 6.5221 6.5221 6.9715 6.9715 7.1045 7.1045 8.1605 8.1605 8.1902 8.1902 9.1688 9.1688 9.2159 9.2159 9.6936 9.6936 9.7269 9.7269 10.4415 10.4415 10.4865 10.4865 k = 0.1071 0.2716-0.0000 ( 7808 PWs) bands (ev): -3.3405 -3.3405 -3.3405 -3.3405 -2.5377 -2.5377 -2.5370 -2.5370 3.5074 3.5074 3.5185 3.5185 5.0882 5.0882 5.0949 5.0949 5.2044 5.2044 5.2112 5.2112 6.1144 6.1144 6.1835 6.1835 6.4886 6.4886 6.5515 6.5515 7.0524 7.0524 7.1715 7.1715 8.1403 8.1403 8.1709 8.1709 9.1416 9.1416 9.1855 9.1855 9.6818 9.6818 9.7154 9.7154 10.4179 10.4179 10.4606 10.4606 k = 0.0952 0.2716-0.0000 ( 7808 PWs) bands (ev): -3.3575 -3.3575 -3.3575 -3.3575 -2.5449 -2.5449 -2.5443 -2.5443 3.4829 3.4829 3.4925 3.4925 5.0946 5.0946 5.0980 5.0980 5.2120 5.2120 5.2197 5.2197 6.1781 6.1781 6.2345 6.2345 6.5171 6.5171 6.5782 6.5782 7.1400 7.1400 7.2435 7.2435 8.1192 8.1192 8.1505 8.1505 9.1110 9.1110 9.1512 9.1512 9.6724 9.6724 9.7054 9.7054 10.3933 10.3933 10.4332 10.4332 k = 0.0833 0.2716-0.0000 ( 7808 PWs) bands (ev): -3.3726 -3.3726 -3.3726 -3.3726 -2.5512 -2.5512 -2.5508 -2.5508 3.4611 3.4611 3.4694 3.4694 5.0946 5.0946 5.0962 5.0962 5.2228 5.2228 5.2302 5.2302 6.2345 6.2345 6.2788 6.2788 6.5442 6.5442 6.6018 6.6018 7.2326 7.2326 7.3194 7.3194 8.0970 8.0970 8.1287 8.1287 9.0779 9.0779 9.1138 9.1138 9.6649 9.6649 9.6965 9.6965 10.3687 10.3687 10.4053 10.4053 k = 0.0714 0.2716-0.0000 ( 7804 PWs) bands (ev): -3.3858 -3.3858 -3.3858 -3.3858 -2.5568 -2.5568 -2.5564 -2.5564 3.4422 3.4422 3.4492 3.4492 5.0910 5.0910 5.0918 5.0918 5.2346 5.2346 5.2410 5.2410 6.2829 6.2829 6.3164 6.3164 6.5697 6.5697 6.6223 6.6223 7.3279 7.3279 7.3979 7.3979 8.0735 8.0735 8.1052 8.1052 9.0433 9.0433 9.0745 9.0745 9.6593 9.6593 9.6885 9.6885 10.3450 10.3450 10.3779 10.3779 k = 0.0595 0.2716-0.0000 ( 7796 PWs) bands (ev): -3.3970 -3.3970 -3.3969 -3.3969 -2.5616 -2.5616 -2.5613 -2.5613 3.4261 3.4261 3.4320 3.4320 5.0861 5.0861 5.0865 5.0865 5.2458 5.2458 5.2510 5.2510 6.3232 6.3232 6.3476 6.3476 6.5932 6.5932 6.6393 6.6393 7.4234 7.4234 7.4771 7.4771 8.0483 8.0483 8.0793 8.0793 9.0088 9.0088 9.0349 9.0349 9.6552 9.6552 9.6812 9.6812 10.3234 10.3234 10.3519 10.3519 k = 0.0476 0.2716-0.0000 ( 7800 PWs) bands (ev): -3.4062 -3.4062 -3.4061 -3.4061 -2.5655 -2.5655 -2.5652 -2.5652 3.4131 3.4131 3.4177 3.4177 5.0810 5.0810 5.0812 5.0812 5.2556 5.2556 5.2596 5.2596 6.3555 6.3555 6.3725 6.3725 6.6143 6.6143 6.6527 6.6527 7.5165 7.5165 7.5549 7.5549 8.0210 8.0210 8.0504 8.0504 8.9761 8.9761 8.9969 8.9969 9.6527 9.6527 9.6746 9.6746 10.3048 10.3048 10.3285 10.3285 k = 0.0357 0.2716-0.0000 ( 7808 PWs) bands (ev): -3.4133 -3.4133 -3.4133 -3.4133 -2.5686 -2.5686 -2.5684 -2.5684 3.4030 3.4030 3.4064 3.4064 5.0765 5.0765 5.0766 5.0766 5.2634 5.2634 5.2663 5.2663 6.3803 6.3803 6.3916 6.3916 6.6326 6.6326 6.6622 6.6622 7.6044 7.6044 7.6287 7.6287 7.9911 7.9911 8.0177 8.0177 8.9474 8.9474 8.9629 8.9629 9.6515 9.6515 9.6686 9.6686 10.2902 10.2902 10.3084 10.3084 k = 0.0238 0.2716-0.0000 ( 7814 PWs) bands (ev): -3.4185 -3.4185 -3.4185 -3.4185 -2.5708 -2.5708 -2.5706 -2.5706 3.3959 3.3959 3.3982 3.3982 5.0731 5.0731 5.0732 5.0732 5.2692 5.2692 5.2711 5.2711 6.3979 6.3979 6.4047 6.4047 6.6475 6.6475 6.6677 6.6677 7.6833 7.6833 7.6954 7.6954 7.9592 7.9592 7.9811 7.9811 8.9252 8.9252 8.9354 8.9354 9.6516 9.6516 9.6633 9.6633 10.2801 10.2801 10.2926 10.2926 k = 0.0119 0.2716-0.0000 ( 7806 PWs) bands (ev): -3.4216 -3.4216 -3.4216 -3.4216 -2.5721 -2.5721 -2.5720 -2.5720 3.3919 3.3919 3.3931 3.3931 5.0709 5.0709 5.0710 5.0710 5.2729 5.2729 5.2738 5.2738 6.4089 6.4089 6.4120 6.4120 6.6587 6.6587 6.6689 6.6689 7.7458 7.7458 7.7489 7.7489 7.9296 7.9296 7.9436 7.9436 8.9117 8.9117 8.9167 8.9167 9.6529 9.6529 9.6589 9.6589 10.2752 10.2752 10.2815 10.2815 k = 0.0000 0.2716-0.0000 ( 7810 PWs) bands (ev): -3.4226 -3.4226 -3.4226 -3.4226 -2.5725 -2.5725 -2.5725 -2.5725 3.3910 3.3910 3.3910 3.3910 5.0702 5.0702 5.0702 5.0702 5.2744 5.2744 5.2744 5.2744 6.4135 6.4135 6.4135 6.4135 6.6659 6.6659 6.6659 6.6659 7.7728 7.7728 7.7728 7.7728 7.9196 7.9196 7.9196 7.9196 8.9087 8.9087 8.9087 8.9087 9.6554 9.6554 9.6554 9.6554 10.2757 10.2757 10.2757 10.2757 k = 0.0000 0.2716-0.0000 ( 7810 PWs) bands (ev): -3.4226 -3.4226 -3.4226 -3.4226 -2.5725 -2.5725 -2.5725 -2.5725 3.3910 3.3910 3.3910 3.3910 5.0702 5.0702 5.0702 5.0702 5.2744 5.2744 5.2744 5.2744 6.4135 6.4135 6.4135 6.4135 6.6659 6.6659 6.6659 6.6659 7.7728 7.7728 7.7728 7.7728 7.9196 7.9196 7.9196 7.9196 8.9087 8.9087 8.9087 8.9087 9.6554 9.6554 9.6554 9.6554 10.2757 10.2757 10.2757 10.2757 k = 0.0000 0.2598-0.0000 ( 7812 PWs) bands (ev): -3.4625 -3.4625 -3.3819 -3.3819 -2.5822 -2.5822 -2.5628 -2.5628 3.3321 3.3321 3.4521 3.4521 5.0155 5.0155 5.1158 5.1158 5.1600 5.1600 5.3964 5.3964 6.3695 6.3695 6.4618 6.4618 6.6542 6.6542 6.6767 6.6767 7.7436 7.7436 7.8047 7.8047 7.9111 7.9111 7.9252 7.9252 8.8852 8.8852 8.9367 8.9367 9.6220 9.6220 9.6908 9.6908 10.2673 10.2673 10.2844 10.2844 k = 0.0000 0.2480-0.0000 ( 7806 PWs) bands (ev): -3.5016 -3.5016 -3.3406 -3.3406 -2.5920 -2.5920 -2.5533 -2.5533 3.2758 3.2758 3.5151 3.5151 4.9442 4.9442 5.0555 5.0555 5.1634 5.1634 5.5195 5.5195 6.3310 6.3310 6.5135 6.5135 6.6415 6.6415 6.6868 6.6868 7.7169 7.7169 7.8384 7.8384 7.9007 7.9007 7.9279 7.9279 8.8656 8.8656 8.9696 8.9696 9.5911 9.5911 9.7279 9.7279 10.2594 10.2594 10.2932 10.2932 k = 0.0000 0.2362-0.0000 ( 7806 PWs) bands (ev): -3.5396 -3.5396 -3.2987 -3.2987 -2.6018 -2.6018 -2.5440 -2.5440 3.2223 3.2223 3.5797 3.5797 4.8468 4.8468 4.9826 4.9826 5.2024 5.2024 5.6412 5.6412 6.2993 6.2993 6.5666 6.5666 6.6288 6.6288 6.6972 6.6972 7.6927 7.6927 7.8690 7.8690 7.8927 7.8927 7.9289 7.9289 8.8492 8.8492 9.0079 9.0079 9.5627 9.5627 9.7663 9.7663 10.2523 10.2523 10.3017 10.3017 k = 0.0000 0.2244-0.0000 ( 7796 PWs) bands (ev): -3.5764 -3.5764 -3.2566 -3.2566 -2.6115 -2.6115 -2.5350 -2.5350 3.1717 3.1717 3.6456 3.6456 4.7342 4.7342 4.9266 4.9266 5.2373 5.2373 5.7588 5.7588 6.2762 6.2762 6.6043 6.6043 6.6292 6.6292 6.7112 6.7112 7.6708 7.6708 7.8681 7.8681 7.9055 7.9055 7.9388 7.9388 8.8352 8.8352 9.0515 9.0515 9.5370 9.5370 9.8054 9.8054 10.2460 10.2460 10.3096 10.3096 k = 0.0000 0.2126-0.0000 ( 7802 PWs) bands (ev): -3.6120 -3.6120 -3.2144 -3.2144 -2.6210 -2.6210 -2.5265 -2.5265 3.1245 3.1245 3.7123 3.7123 4.6176 4.6176 4.8775 4.8775 5.2672 5.2672 5.8684 5.8684 6.2652 6.2652 6.5949 6.5949 6.6644 6.6644 6.7395 6.7395 7.6510 7.6510 7.8545 7.8545 7.9047 7.9047 7.9742 7.9742 8.8230 8.8230 9.1003 9.1003 9.5141 9.5141 9.8446 9.8446 10.2407 10.2407 10.3166 10.3166 k = 0.0000 0.2008-0.0000 ( 7798 PWs) bands (ev): -3.6462 -3.6462 -3.1721 -3.1721 -2.6302 -2.6302 -2.5184 -2.5184 3.0807 3.0807 3.7791 3.7791 4.5015 4.5015 4.8320 4.8320 5.2911 5.2911 5.9638 5.9638 6.2718 6.2718 6.5806 6.5806 6.6834 6.6834 6.7914 6.7914 7.6330 7.6330 7.8398 7.8398 7.8950 7.8950 8.0194 8.0194 8.8118 8.8118 9.1540 9.1540 9.4941 9.4941 9.8830 9.8830 10.2363 10.2363 10.3223 10.3223 k = 0.0000 0.1890-0.0000 ( 7796 PWs) bands (ev): -3.6790 -3.6790 -3.1301 -3.1301 -2.6393 -2.6393 -2.5108 -2.5108 3.0405 3.0405 3.8452 3.8452 4.3881 4.3881 4.7891 4.7891 5.3083 5.3083 6.0361 6.0361 6.3033 6.3033 6.5669 6.5669 6.6917 6.6917 6.8573 6.8573 7.6167 7.6167 7.8255 7.8255 7.8817 7.8817 8.0686 8.0686 8.8011 8.8011 9.2121 9.2121 9.4770 9.4770 9.9198 9.9198 10.2329 10.2329 10.3265 10.3265 k = 0.0000 0.1772-0.0000 ( 7788 PWs) bands (ev): -3.7101 -3.7101 -3.0884 -3.0884 -2.6480 -2.6480 -2.5039 -2.5039 3.0043 3.0043 3.9085 3.9085 4.2795 4.2795 4.7489 4.7489 5.3183 5.3183 6.0829 6.0829 6.3593 6.3593 6.5564 6.5564 6.6962 6.6962 6.9299 6.9299 7.6019 7.6019 7.8123 7.8123 7.8662 7.8662 8.1208 8.1208 8.7905 8.7905 9.2740 9.2740 9.4626 9.4626 9.9537 9.9537 10.2304 10.2304 10.3291 10.3291 k = 0.0000 0.1654-0.0000 ( 7782 PWs) bands (ev): -3.7397 -3.7397 -3.0474 -3.0474 -2.6563 -2.6563 -2.4978 -2.4978 2.9721 2.9721 3.9627 3.9627 4.1824 4.1824 4.7116 4.7116 5.3211 5.3211 6.1133 6.1133 6.4216 6.4216 6.5569 6.5569 6.6992 6.6992 7.0072 7.0072 7.5883 7.5883 7.8005 7.8005 7.8492 7.8492 8.1753 8.1753 8.7797 8.7797 9.3388 9.3388 9.4509 9.4509 9.9834 9.9834 10.2287 10.2287 10.3300 10.3300 k = 0.0000 0.1535-0.0000 ( 7778 PWs) bands (ev): -3.7675 -3.7675 -3.0071 -3.0071 -2.6642 -2.6642 -2.4924 -2.4924 2.9442 2.9442 3.9766 3.9766 4.1276 4.1276 4.6774 4.6774 5.3170 5.3170 6.1376 6.1376 6.4584 6.4584 6.5883 6.5883 6.7019 6.7019 7.0881 7.0881 7.5758 7.5758 7.7906 7.7906 7.8314 7.8314 8.2318 8.2318 8.7685 8.7685 9.4049 9.4049 9.4426 9.4426 10.0073 10.0073 10.2277 10.2277 10.3294 10.3294 k = 0.0000 0.1417-0.0000 ( 7786 PWs) bands (ev): -3.7936 -3.7936 -2.9679 -2.9679 -2.6718 -2.6718 -2.4880 -2.4880 2.9206 2.9206 3.9142 3.9142 4.1505 4.1505 4.6472 4.6472 5.3066 5.3066 6.1609 6.1609 6.4623 6.4623 6.6499 6.6499 6.7063 6.7063 7.1716 7.1716 7.5643 7.5643 7.7827 7.7827 7.8134 7.8134 8.2897 8.2897 8.7570 8.7570 9.4323 9.4323 9.4763 9.4763 10.0235 10.0235 10.2271 10.2271 10.3280 10.3280 k = 0.0000 0.1299-0.0000 ( 7786 PWs) bands (ev): -3.8177 -3.8177 -2.9298 -2.9298 -2.6788 -2.6788 -2.4845 -2.4845 2.9016 2.9016 3.8255 3.8255 4.2002 4.2002 4.6220 4.6220 5.2907 5.2907 6.1846 6.1846 6.4541 6.4541 6.6958 6.6958 6.7350 6.7350 7.2564 7.2564 7.5538 7.5538 7.7771 7.7771 7.7957 7.7957 8.3486 8.3486 8.7452 8.7452 9.4279 9.4279 9.5434 9.5434 10.0305 10.0305 10.2268 10.2268 10.3267 10.3267 k = 0.0000 0.1181-0.0000 ( 7771 PWs) bands (ev): -3.8400 -3.8400 -2.8932 -2.8932 -2.6853 -2.6853 -2.4820 -2.4820 2.8873 2.8873 3.7342 3.7342 4.2513 4.2513 4.6034 4.6034 5.2702 5.2702 6.2088 6.2088 6.4426 6.4426 6.7033 6.7033 6.8008 6.8008 7.3407 7.3407 7.5441 7.5441 7.7736 7.7736 7.7791 7.7791 8.4075 8.4075 8.7337 8.7337 9.4246 9.4246 9.6090 9.6090 10.0273 10.0273 10.2269 10.2269 10.3274 10.3274 k = 0.0000 0.1063-0.0000 ( 7765 PWs) bands (ev): -3.8603 -3.8603 -2.8583 -2.8583 -2.6913 -2.6913 -2.4806 -2.4806 2.8778 2.8778 3.6453 3.6453 4.2963 4.2963 4.5943 4.5943 5.2458 5.2458 6.2330 6.2330 6.4305 6.4305 6.7072 6.7072 6.8659 6.8659 7.4222 7.4222 7.5354 7.5354 7.7641 7.7641 7.7725 7.7725 8.4653 8.4653 8.7232 8.7232 9.4226 9.4226 9.6702 9.6702 10.0138 10.0138 10.2274 10.2274 10.3324 10.3324 k = 0.0000 0.0945-0.0000 ( 7765 PWs) bands (ev): -3.8786 -3.8786 -2.8253 -2.8253 -2.6967 -2.6967 -2.4803 -2.4803 2.8733 2.8733 3.5601 3.5601 4.3306 4.3306 4.5978 4.5978 5.2181 5.2181 6.2562 6.2562 6.4187 6.4187 6.7113 6.7113 6.9257 6.9257 7.4967 7.4967 7.5293 7.5293 7.7521 7.7521 7.7733 7.7733 8.5201 8.5201 8.7152 8.7152 9.4217 9.4217 9.7242 9.7242 9.9913 9.9913 10.2285 10.2285 10.3448 10.3448 k = 0.0000 0.0827-0.0000 ( 7785 PWs) bands (ev): -3.8948 -3.8948 -2.7944 -2.7944 -2.7016 -2.7016 -2.4811 -2.4811 2.8737 2.8737 3.4793 3.4793 4.3514 4.3514 4.6163 4.6163 5.1877 5.1877 6.2779 6.2779 6.4078 6.4078 6.7159 6.7159 6.9793 6.9793 7.5171 7.5171 7.5685 7.5685 7.7452 7.7452 7.7765 7.7765 8.5677 8.5677 8.7135 8.7135 9.4217 9.4217 9.7683 9.7683 9.9620 9.9620 10.2302 10.2302 10.3677 10.3677 k = 0.0000 0.0709-0.0000 ( 7781 PWs) bands (ev): -3.9090 -3.9090 -2.7660 -2.7660 -2.7058 -2.7058 -2.4829 -2.4829 2.8792 2.8792 3.4034 3.4034 4.3601 4.3601 4.6478 4.6478 5.1550 5.1550 6.2973 6.2973 6.3979 6.3979 6.7210 6.7210 7.0265 7.0265 7.5114 7.5114 7.6186 7.6186 7.7471 7.7471 7.7830 7.7830 8.6009 8.6009 8.7246 8.7246 9.4223 9.4223 9.8003 9.8003 9.9288 9.9288 10.2324 10.2324 10.4032 10.4032 k = 0.0000 0.0591-0.0000 ( 7773 PWs) bands (ev): -3.9210 -3.9210 -2.7405 -2.7405 -2.7094 -2.7094 -2.4855 -2.4855 2.8897 2.8897 3.3329 3.3329 4.3610 4.3610 4.6881 4.6881 5.1202 5.1202 6.3141 6.3141 6.3893 6.3893 6.7264 6.7264 7.0670 7.0670 7.5058 7.5058 7.6464 7.6464 7.7590 7.7590 7.7968 7.7968 8.6153 8.6153 8.7520 8.7520 9.4233 9.4233 9.8196 9.8196 9.8954 9.8954 10.2349 10.2349 10.4517 10.4517 k = 0.0000 0.0472-0.0000 ( 7781 PWs) bands (ev): -3.9309 -3.9309 -2.7185 -2.7185 -2.7121 -2.7121 -2.4888 -2.4888 2.9049 2.9049 3.2681 3.2681 4.3582 4.3582 4.7328 4.7328 5.0835 5.0835 6.3280 6.3280 6.3820 6.3820 6.7317 6.7317 7.1005 7.1005 7.5010 7.5010 7.6556 7.6556 7.7703 7.7703 7.8225 7.8225 8.6175 8.6175 8.7879 8.7879 9.4243 9.4243 9.8238 9.8238 9.8684 9.8684 10.2373 10.2373 10.5109 10.5109 k = 0.0000 0.0354-0.0000 ( 7781 PWs) bands (ev): -3.9386 -3.9386 -2.7149 -2.7149 -2.6996 -2.6996 -2.4923 -2.4923 2.9243 2.9243 3.2100 3.2100 4.3542 4.3542 4.7793 4.7793 5.0450 5.0450 6.3390 6.3390 6.3761 6.3761 6.7365 6.7365 7.1269 7.1269 7.4971 7.4971 7.6568 7.6568 7.7770 7.7770 7.8520 7.8520 8.6154 8.6154 8.8228 8.8228 9.4253 9.4253 9.8094 9.8094 9.8573 9.8573 10.2395 10.2395 10.5479 10.5479 k = 0.0000 0.0236-0.0000 ( 7789 PWs) bands (ev): -3.9441 -3.9441 -2.7165 -2.7165 -2.6857 -2.6857 -2.4955 -2.4955 2.9466 2.9466 3.1599 3.1599 4.3505 4.3505 4.8257 4.8257 5.0051 5.0051 6.3470 6.3470 6.3716 6.3716 6.7404 6.7404 7.1460 7.1460 7.4942 7.4942 7.6558 7.6558 7.7812 7.7812 7.8764 7.8764 8.6125 8.6125 8.8514 8.8514 9.4261 9.4261 9.7889 9.7889 9.8548 9.8548 10.2413 10.2413 10.5538 10.5538 k = 0.0000 0.0118-0.0000 ( 7769 PWs) bands (ev): -3.9474 -3.9474 -2.7175 -2.7175 -2.6769 -2.6769 -2.4977 -2.4977 2.9677 2.9677 3.1220 3.1220 4.3481 4.3481 4.8708 4.8708 4.9642 4.9642 6.3522 6.3522 6.3685 6.3685 6.7428 6.7428 7.1575 7.1575 7.4925 7.4925 7.6547 7.6547 7.7836 7.7836 7.8919 7.8919 8.6104 8.6104 8.8699 8.8699 9.4266 9.4266 9.7741 9.7741 9.8538 9.8538 10.2424 10.2424 10.5567 10.5567 k = 0.0000 0.0000 0.0000 ( 7775 PWs) bands (ev): -3.9485 -3.9485 -2.7178 -2.7178 -2.6739 -2.6739 -2.4986 -2.4986 2.9777 2.9777 3.1064 3.1064 4.3472 4.3472 4.9035 4.9035 4.9329 4.9329 6.3541 6.3541 6.3673 6.3673 6.7437 6.7437 7.1613 7.1613 7.4919 7.4919 7.6542 7.6542 7.7843 7.7843 7.8972 7.8972 8.6096 8.6096 8.8763 8.8763 9.4268 9.4268 9.7688 9.7688 9.8534 9.8534 10.2428 10.2428 10.5577 10.5577 k = 0.0000 0.0000 0.0000 ( 7775 PWs) bands (ev): -3.9485 -3.9485 -2.7178 -2.7178 -2.6739 -2.6739 -2.4986 -2.4986 2.9777 2.9777 3.1064 3.1064 4.3472 4.3472 4.9035 4.9035 4.9329 4.9329 6.3541 6.3541 6.3673 6.3673 6.7437 6.7437 7.1613 7.1613 7.4919 7.4919 7.6542 7.6542 7.7843 7.7843 7.8972 7.8972 8.6096 8.6096 8.8763 8.8763 9.4268 9.4268 9.7688 9.7688 9.8534 9.8534 10.2428 10.2428 10.5577 10.5577 k = 0.0000 0.0000 0.0116 ( 7781 PWs) bands (ev): -3.9474 -3.9474 -2.7270 -2.7270 -2.6664 -2.6664 -2.4986 -2.4986 2.9810 2.9810 3.1072 3.1072 4.3421 4.3421 4.9033 4.9033 4.9380 4.9380 6.3479 6.3479 6.3744 6.3744 6.7449 6.7449 7.1507 7.1507 7.4879 7.4879 7.6559 7.6559 7.7694 7.7694 7.9195 7.9195 8.6074 8.6074 8.8694 8.8694 9.4337 9.4337 9.7699 9.7699 9.8556 9.8556 10.2423 10.2423 10.5615 10.5615 k = 0.0000 0.0000 0.0232 ( 7781 PWs) bands (ev): -3.9441 -3.9441 -2.7465 -2.7465 -2.6521 -2.6521 -2.4986 -2.4986 2.9909 2.9909 3.1094 3.1094 4.3270 4.3270 4.9033 4.9033 4.9523 4.9523 6.3391 6.3391 6.3863 6.3863 6.7487 6.7487 7.1200 7.1200 7.4761 7.4761 7.6609 7.6609 7.7415 7.7415 7.9680 7.9680 8.6010 8.6010 8.8495 8.8495 9.4538 9.4538 9.7732 9.7732 9.8620 9.8620 10.2408 10.2408 10.5729 10.5729 k = 0.0000 0.0000 0.0348 ( 7793 PWs) bands (ev): -3.9386 -3.9386 -2.7701 -2.7701 -2.6371 -2.6371 -2.4986 -2.4986 3.0071 3.0071 3.1132 3.1132 4.3034 4.3034 4.9040 4.9040 4.9738 4.9738 6.3311 6.3311 6.3992 6.3992 6.7549 6.7549 7.0721 7.0721 7.4571 7.4571 7.6696 7.6696 7.7134 7.7134 8.0269 8.0269 8.5908 8.5908 8.8184 8.8184 9.4853 9.4853 9.7786 9.7786 9.8722 9.8722 10.2384 10.2384 10.5910 10.5910 k = 0.0000 0.0000 0.0464 ( 7785 PWs) bands (ev): -3.9310 -3.9310 -2.7963 -2.7963 -2.6227 -2.6227 -2.4987 -2.4987 3.0294 3.0294 3.1189 3.1189 4.2730 4.2730 4.9054 4.9054 5.0007 5.0007 6.3248 6.3248 6.4123 6.4123 6.7631 6.7631 7.0111 7.0111 7.4317 7.4317 7.6809 7.6809 7.6882 7.6882 8.0904 8.0904 8.5778 8.5778 8.7785 8.7785 9.5261 9.5261 9.7857 9.7857 9.8857 9.8857 10.2350 10.2350 10.6147 10.6147 k = 0.0000 0.0000 0.0580 ( 7773 PWs) bands (ev): -3.9211 -3.9211 -2.8246 -2.8246 -2.6095 -2.6095 -2.4988 -2.4988 3.0568 3.0568 3.1271 3.1271 4.2374 4.2374 4.9069 4.9069 5.0316 5.0316 6.3202 6.3202 6.4252 6.4252 6.7715 6.7715 6.9428 6.9428 7.4006 7.4006 7.6595 7.6595 7.6999 7.6999 8.1555 8.1555 8.5629 8.5629 8.7322 8.7322 9.5741 9.5741 9.7945 9.7945 9.9015 9.9015 10.2308 10.2308 10.6402 10.6402 k = 0.0000 0.0000 0.0696 ( 7783 PWs) bands (ev): -3.9092 -3.9092 -2.8547 -2.8547 -2.5974 -2.5974 -2.4989 -2.4989 3.0870 3.0870 3.1401 3.1401 4.1981 4.1981 4.9081 4.9081 5.0652 5.0652 6.3175 6.3175 6.4375 6.4375 6.7710 6.7710 6.8799 6.8799 7.3648 7.3648 7.6315 7.6315 7.7208 7.7208 8.2202 8.2202 8.5470 8.5470 8.6820 8.6820 9.6277 9.6277 9.8048 9.8048 9.9187 9.9187 10.2256 10.2256 10.6226 10.6226 k = 0.0000 0.0000 0.0812 ( 7785 PWs) bands (ev): -3.8951 -3.8951 -2.8866 -2.8866 -2.5865 -2.5865 -2.4991 -2.4991 3.1141 3.1141 3.1635 3.1635 4.1562 4.1562 4.9085 4.9085 5.1006 5.1006 6.3169 6.3169 6.4484 6.4484 6.7325 6.7325 6.8550 6.8550 7.3251 7.3251 7.6008 7.6008 7.7455 7.7455 8.2817 8.2817 8.5308 8.5308 8.6312 8.6312 9.6851 9.6851 9.8166 9.8166 9.9363 9.9363 10.2195 10.2195 10.5693 10.5693 k = 0.0000 0.0000 0.0928 ( 7793 PWs) bands (ev): -3.8790 -3.8790 -2.9201 -2.9201 -2.5766 -2.5766 -2.4993 -2.4993 3.1333 3.1333 3.2016 3.2016 4.1128 4.1128 4.9072 4.9072 5.1370 5.1370 6.3183 6.3183 6.4558 6.4558 6.6616 6.6616 6.8669 6.8669 7.2823 7.2823 7.5667 7.5667 7.7735 7.7735 8.3340 8.3340 8.5144 8.5144 8.5871 8.5871 9.7446 9.7446 9.8300 9.8300 9.9537 9.9537 10.2126 10.2126 10.5111 10.5111 k = 0.0000 0.0000 0.1044 ( 7785 PWs) bands (ev): -3.8608 -3.8608 -2.9551 -2.9551 -2.5677 -2.5677 -2.4995 -2.4995 3.1486 3.1486 3.2502 3.2502 4.0687 4.0687 4.9036 4.9036 5.1739 5.1739 6.3214 6.3214 6.4526 6.4526 6.5920 6.5920 6.8915 6.8915 7.2372 7.2372 7.5288 7.5288 7.8045 7.8045 8.3613 8.3613 8.4982 8.4982 8.5661 8.5661 9.8039 9.8039 9.8456 9.8456 9.9700 9.9700 10.2048 10.2048 10.4497 10.4497 k = 0.0000 0.0000 0.1160 ( 7779 PWs) bands (ev): -3.8406 -3.8406 -2.9913 -2.9913 -2.5598 -2.5598 -2.4998 -2.4998 3.1634 3.1634 3.3051 3.3051 4.0249 4.0249 4.8969 4.8969 5.2109 5.2109 6.3245 6.3245 6.4202 6.4202 6.5521 6.5521 6.9224 6.9224 7.1903 7.1903 7.4872 7.4872 7.8380 7.8380 8.3445 8.3445 8.4855 8.4855 8.5848 8.5848 9.8515 9.8515 9.8730 9.8730 9.9850 9.9850 10.1960 10.1960 10.3857 10.3857 k = 0.0000 0.0000 0.1276 ( 7767 PWs) bands (ev): -3.8186 -3.8186 -3.0287 -3.0287 -2.5526 -2.5526 -2.5001 -2.5001 3.1791 3.1791 3.3643 3.3643 3.9822 3.9822 4.8861 4.8861 5.2477 5.2477 6.3123 6.3123 6.3717 6.3717 6.5474 6.5474 6.9578 6.9578 7.1424 7.1424 7.4419 7.4419 7.8736 7.8736 8.2960 8.2960 8.4748 8.4748 8.6329 8.6329 9.8729 9.8729 9.9247 9.9247 9.9983 9.9983 10.1859 10.1859 10.3198 10.3198 k = 0.0000 0.0000 0.1392 ( 7763 PWs) bands (ev): -3.7946 -3.7946 -3.0671 -3.0671 -2.5463 -2.5463 -2.5005 -2.5005 3.1959 3.1959 3.4260 3.4260 3.9420 3.9420 4.8703 4.8703 5.2841 5.2841 6.2498 6.2498 6.3650 6.3650 6.5574 6.5574 6.9969 6.9969 7.0939 7.0939 7.3935 7.3935 7.9107 7.9107 8.2348 8.2348 8.4643 8.4643 8.6935 8.6935 9.8910 9.8910 9.9753 9.9753 10.0101 10.0101 10.1726 10.1726 10.2545 10.2545 k = 0.0000 0.0000 0.1508 ( 7754 PWs) bands (ev): -3.7688 -3.7688 -3.1064 -3.1064 -2.5406 -2.5406 -2.5010 -2.5010 3.2143 3.2143 3.4876 3.4876 3.9067 3.9067 4.8485 4.8485 5.3200 5.3200 6.1708 6.1708 6.3767 6.3767 6.5732 6.5732 7.0356 7.0356 7.0493 7.0493 7.3426 7.3426 7.9489 7.9489 8.1684 8.1684 8.4536 8.4536 8.7595 8.7595 9.9091 9.9091 10.0145 10.0145 10.0247 10.0247 10.1461 10.1461 10.2009 10.2009 k = 0.0000 0.0000 0.1624 ( 7760 PWs) bands (ev): -3.7412 -3.7412 -3.1463 -3.1463 -2.5355 -2.5355 -2.5016 -2.5016 3.2342 3.2342 3.5443 3.5443 3.8807 3.8807 4.8198 4.8198 5.3555 5.3555 6.0921 6.0921 6.3938 6.3938 6.5928 6.5928 6.9956 6.9956 7.0866 7.0866 7.2897 7.2897 7.9870 7.9870 8.1005 8.1005 8.4424 8.4424 8.8284 8.8284 9.9265 9.9265 10.0228 10.0228 10.0554 10.0554 10.0962 10.0962 10.1754 10.1754 k = 0.0000 0.0000 0.1740 ( 7766 PWs) bands (ev): -3.7120 -3.7120 -3.1867 -3.1867 -2.5309 -2.5309 -2.5022 -2.5022 3.2557 3.2557 3.5874 3.5874 3.8725 3.8725 4.7836 4.7836 5.3905 5.3905 6.0171 6.0171 6.4144 6.4144 6.6156 6.6156 6.9476 6.9476 7.1350 7.1350 7.2357 7.2357 8.0116 8.0116 8.0453 8.0453 8.4302 8.4302 8.8993 8.8993 9.9379 9.9379 10.0048 10.0048 10.0499 10.0499 10.0913 10.0913 10.1623 10.1623 k = 0.0000 0.0000 0.1856 ( 7764 PWs) bands (ev): -3.6812 -3.6812 -3.2274 -3.2274 -2.5269 -2.5269 -2.5030 -2.5030 3.2789 3.2789 3.6062 3.6062 3.8924 3.8924 4.7394 4.7394 5.4252 5.4252 5.9473 5.9473 6.4383 6.4383 6.6412 6.6412 6.9004 6.9004 7.1750 7.1750 7.1923 7.1923 7.9544 7.9544 8.0715 8.0715 8.4165 8.4165 8.9719 8.9719 9.9081 9.9081 9.9856 9.9856 10.0511 10.0511 10.1080 10.1080 10.1529 10.1529 k = 0.0000 0.0000 0.1972 ( 7766 PWs) bands (ev): -3.6489 -3.6489 -3.2682 -3.2682 -2.5233 -2.5233 -2.5039 -2.5039 3.3038 3.3038 3.5999 3.5999 3.9408 3.9408 4.6872 4.6872 5.4596 5.4596 5.8832 5.8832 6.4650 6.4650 6.6697 6.6697 6.8544 6.8544 7.1244 7.1244 7.2419 7.2419 7.8849 7.8849 8.1095 8.1095 8.4008 8.4008 9.0460 9.0460 9.8376 9.8376 9.9984 9.9984 10.0573 10.0573 10.1156 10.1156 10.1466 10.1466 k = 0.0000 0.0000 0.2088 ( 7762 PWs) bands (ev): -3.6152 -3.6152 -3.3090 -3.3090 -2.5202 -2.5202 -2.5049 -2.5049 3.3303 3.3303 3.5780 3.5780 4.0076 4.0076 4.6274 4.6274 5.4941 5.4941 5.8249 5.8249 6.4944 6.4944 6.7002 6.7002 6.8105 6.8105 7.0702 7.0702 7.2982 7.2982 7.8152 7.8152 8.1475 8.1475 8.3828 8.3828 9.1215 9.1215 9.7594 9.7594 10.0159 10.0159 10.0649 10.0649 10.1138 10.1138 10.1430 10.1430 k = 0.0000 0.0000 0.2204 ( 7774 PWs) bands (ev): -3.5802 -3.5802 -3.3496 -3.3496 -2.5173 -2.5173 -2.5061 -2.5061 3.3583 3.3583 3.5489 3.5489 4.0840 4.0840 4.5606 4.5606 5.5288 5.5288 5.7720 5.7720 6.5262 6.5262 6.7266 6.7266 6.7752 6.7752 7.0168 7.0168 7.3568 7.3568 7.7459 7.7459 8.1844 8.1844 8.3622 8.3622 9.1984 9.1984 9.6791 9.6791 10.0333 10.0333 10.0734 10.0734 10.1072 10.1072 10.1386 10.1386 k = 0.0000 0.0000 0.2320 ( 7774 PWs) bands (ev): -3.5440 -3.5440 -3.3898 -3.3898 -2.5148 -2.5148 -2.5074 -2.5074 3.3879 3.3879 3.5168 3.5168 4.1649 4.1649 4.4880 4.4880 5.5642 5.5642 5.7239 5.7239 6.5603 6.5603 6.7111 6.7111 6.7863 6.7863 6.9650 6.9650 7.4176 7.4176 7.6775 7.6775 8.2197 8.2197 8.3389 8.3389 9.2766 9.2766 9.5980 9.5980 10.0494 10.0494 10.0824 10.0824 10.0995 10.0995 10.1315 10.1315 k = 0.0000 0.0000 0.2436 ( 7790 PWs) bands (ev): -3.5067 -3.5067 -3.4295 -3.4295 -2.5126 -2.5126 -2.5089 -2.5089 3.4188 3.4188 3.4837 3.4837 4.2476 4.2476 4.4107 4.4107 5.6008 5.6008 5.6799 5.6799 6.5964 6.5964 6.6732 6.6732 6.8245 6.8245 6.9153 6.9153 7.4802 7.4802 7.6103 7.6103 8.2531 8.2531 8.3129 8.3129 9.3558 9.3558 9.5168 9.5168 10.0633 10.0633 10.0841 10.0841 10.0996 10.0996 10.1217 10.1217 k = 0.0000 0.0000 0.2552 ( 7800 PWs) bands (ev): -3.4685 -3.4685 -3.4685 -3.4685 -2.5107 -2.5107 -2.5107 -2.5107 3.4509 3.4509 3.4509 3.4509 4.3301 4.3301 4.3301 4.3301 5.6391 5.6391 5.6391 5.6391 6.6342 6.6342 6.6342 6.6342 6.8682 6.8682 6.8682 6.8682 7.5445 7.5445 7.5445 7.5445 8.2842 8.2842 8.2842 8.2842 9.4360 9.4360 9.4360 9.4360 10.0750 10.0750 10.0750 10.0750 10.1103 10.1103 10.1103 10.1103 k = 0.0000 0.0000 0.2552 ( 7800 PWs) bands (ev): -3.4685 -3.4685 -3.4685 -3.4685 -2.5107 -2.5107 -2.5107 -2.5107 3.4509 3.4509 3.4509 3.4509 4.3301 4.3301 4.3301 4.3301 5.6391 5.6391 5.6391 5.6391 6.6342 6.6342 6.6342 6.6342 6.8682 6.8682 6.8682 6.8682 7.5445 7.5445 7.5445 7.5445 8.2842 8.2842 8.2842 8.2842 9.4360 9.4360 9.4360 9.4360 10.0750 10.0750 10.0750 10.0750 10.1103 10.1103 10.1103 10.1103 k = 0.0119-0.0000 0.2552 ( 7780 PWs) bands (ev): -3.4676 -3.4676 -3.4675 -3.4675 -2.5104 -2.5104 -2.5098 -2.5098 3.4517 3.4517 3.4528 3.4528 4.3301 4.3301 4.3307 4.3307 5.6369 5.6369 5.6408 5.6408 6.6249 6.6249 6.6322 6.6322 6.8554 6.8554 6.8777 6.8777 7.5320 7.5320 7.5455 7.5455 8.2835 8.2835 8.2938 8.2938 9.4377 9.4377 9.4408 9.4408 10.0450 10.0450 10.0595 10.0595 10.1247 10.1247 10.1352 10.1352 k = 0.0238-0.0000 0.2552 ( 7772 PWs) bands (ev): -3.4647 -3.4647 -3.4646 -3.4646 -2.5090 -2.5090 -2.5079 -2.5079 3.4551 3.4551 3.4573 3.4573 4.3306 4.3306 4.3318 4.3318 5.6341 5.6341 5.6418 5.6418 6.6046 6.6046 6.6180 6.6180 6.8402 6.8402 6.8835 6.8835 7.5082 7.5082 7.5358 7.5358 8.2916 8.2916 8.3114 8.3114 9.4458 9.4458 9.4519 9.4519 10.0054 10.0054 10.0228 10.0228 10.1541 10.1541 10.1637 10.1637 k = 0.0357-0.0000 0.2552 ( 7770 PWs) bands (ev): -3.4599 -3.4599 -3.4597 -3.4597 -2.5066 -2.5066 -2.5048 -2.5048 3.4611 3.4611 3.4645 3.4645 4.3315 4.3315 4.3335 4.3335 5.6306 5.6306 5.6424 5.6424 6.5736 6.5736 6.5912 6.5912 6.8238 6.8238 6.8859 6.8859 7.4741 7.4741 7.5163 7.5163 8.3079 8.3079 8.3359 8.3359 9.4599 9.4599 9.4684 9.4684 9.9618 9.9618 9.9813 9.9813 10.1825 10.1825 10.1904 10.1904 k = 0.0476-0.0000 0.2552 ( 7774 PWs) bands (ev): -3.4531 -3.4531 -3.4529 -3.4529 -2.5031 -2.5031 -2.5007 -2.5007 3.4697 3.4697 3.4744 3.4744 4.3330 4.3330 4.3356 4.3356 5.6261 5.6261 5.6424 5.6424 6.5322 6.5322 6.5518 6.5518 6.8072 6.8072 6.8853 6.8853 7.4309 7.4309 7.4884 7.4884 8.3309 8.3309 8.3656 8.3656 9.4788 9.4788 9.4892 9.4892 9.9152 9.9152 9.9366 9.9366 10.2090 10.2090 10.2149 10.2149 k = 0.0595-0.0000 0.2552 ( 7776 PWs) bands (ev): -3.4445 -3.4445 -3.4442 -3.4442 -2.4985 -2.4985 -2.4956 -2.4956 3.4809 3.4809 3.4869 3.4869 4.3348 4.3348 4.3383 4.3383 5.6205 5.6205 5.6417 5.6417 6.4812 6.4812 6.5009 6.5009 6.7906 6.7906 6.8822 6.8822 7.3803 7.3803 7.4536 7.4536 8.3594 8.3594 8.3992 8.3992 9.5011 9.5011 9.5127 9.5127 9.8663 9.8663 9.8894 9.8894 10.2337 10.2337 10.2375 10.2375 k = 0.0714-0.0000 0.2552 ( 7788 PWs) bands (ev): -3.4340 -3.4340 -3.4336 -3.4336 -2.4929 -2.4929 -2.4894 -2.4894 3.4945 3.4945 3.5020 3.5020 4.3369 4.3369 4.3414 4.3414 5.6135 5.6135 5.6402 5.6402 6.4214 6.4214 6.4399 6.4399 6.7740 6.7740 6.8767 6.8767 7.3241 7.3241 7.4130 7.4130 8.3919 8.3919 8.4353 8.4353 9.5244 9.5244 9.5365 9.5365 9.8167 9.8167 9.8410 9.8410 10.2569 10.2569 10.2583 10.2583 k = 0.0833-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.4216 -3.4216 -3.4211 -3.4211 -2.4863 -2.4863 -2.4822 -2.4822 3.5106 3.5106 3.5198 3.5198 4.3392 4.3392 4.3448 4.3448 5.6048 5.6048 5.6379 5.6379 6.3539 6.3539 6.3710 6.3710 6.7568 6.7568 6.8685 6.8685 7.2639 7.2639 7.3678 7.3678 8.4272 8.4272 8.4731 8.4731 9.5443 9.5443 9.5568 9.5568 9.7696 9.7696 9.7943 9.7943 10.2777 10.2777 10.2791 10.2791 k = 0.0952-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.4073 -3.4073 -3.4068 -3.4068 -2.4788 -2.4788 -2.4742 -2.4742 3.5290 3.5290 3.5401 3.5401 4.3417 4.3417 4.3486 4.3486 5.5938 5.5938 5.6345 5.6345 6.2798 6.2798 6.2960 6.2960 6.7387 6.7387 6.8570 6.8570 7.2017 7.2017 7.3190 7.3190 8.4645 8.4645 8.5117 8.5117 9.5527 9.5527 9.5668 9.5668 9.7323 9.7323 9.7551 9.7551 10.2960 10.2960 10.3007 10.3007 k = 0.1071-0.0000 0.2552 ( 7784 PWs) bands (ev): -3.3913 -3.3913 -3.3907 -3.3907 -2.4704 -2.4704 -2.4652 -2.4652 3.5497 3.5497 3.5629 3.5629 4.3442 4.3442 4.3525 4.3525 5.5798 5.5798 5.6297 5.6297 6.2004 6.2004 6.2169 6.2169 6.7192 6.7192 6.8406 6.8406 7.1400 7.1400 7.2674 7.2674 8.5029 8.5029 8.5506 8.5506 9.5379 9.5379 9.5559 9.5559 9.7155 9.7155 9.7328 9.7328 10.3138 10.3138 10.3223 10.3223 k = 0.1190-0.0000 0.2552 ( 7774 PWs) bands (ev): -3.3735 -3.3735 -3.3728 -3.3728 -2.4611 -2.4611 -2.4554 -2.4554 3.5725 3.5725 3.5881 3.5881 4.3465 4.3465 4.3566 4.3566 5.5620 5.5620 5.6232 5.6232 6.1172 6.1172 6.1357 6.1357 6.6980 6.6980 6.8171 6.8171 7.0821 7.0821 7.2141 7.2141 8.5418 8.5418 8.5893 8.5893 9.4985 9.4985 9.5208 9.5208 9.7195 9.7195 9.7302 9.7302 10.3318 10.3318 10.3445 10.3445 k = 0.1310-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.3540 -3.3540 -3.3532 -3.3532 -2.4511 -2.4511 -2.4448 -2.4448 3.5973 3.5973 3.6158 3.6158 4.3486 4.3486 4.3607 4.3607 5.5390 5.5390 5.6144 5.6144 6.0315 6.0315 6.0547 6.0547 6.6750 6.6750 6.7833 6.7833 7.0316 7.0316 7.1597 7.1597 8.5806 8.5806 8.6274 8.6274 9.4450 9.4450 9.4699 9.4699 9.7331 9.7331 9.7383 9.7383 10.3505 10.3505 10.3676 10.3676 k = 0.1429-0.0000 0.2552 ( 7776 PWs) bands (ev): -3.3328 -3.3328 -3.3319 -3.3319 -2.4404 -2.4404 -2.4336 -2.4336 3.6240 3.6240 3.6458 3.6458 4.3503 4.3503 4.3648 4.3648 5.5094 5.5094 5.6023 5.6023 5.9453 5.9453 5.9763 5.9763 6.6498 6.6498 6.7372 6.7372 6.9914 6.9914 7.1050 7.1050 8.6188 8.6188 8.6646 8.6646 9.3852 9.3852 9.4115 9.4115 9.7484 9.7484 9.7488 9.7488 10.3706 10.3706 10.3920 10.3920 k = 0.1548-0.0000 0.2552 ( 7788 PWs) bands (ev): -3.3100 -3.3100 -3.3089 -3.3089 -2.4291 -2.4291 -2.4218 -2.4218 3.6524 3.6524 3.6780 3.6780 4.3514 4.3514 4.3686 4.3686 5.4710 5.4710 5.5850 5.5850 5.8611 5.8611 5.9031 5.9031 6.6222 6.6222 6.6796 6.6796 6.9612 6.9612 7.0509 7.0509 8.6558 8.6558 8.7003 8.7003 9.3226 9.3226 9.3496 9.3496 9.7581 9.7581 9.7619 9.7619 10.3922 10.3922 10.4174 10.4174 k = 0.1667-0.0000 0.2552 ( 7796 PWs) bands (ev): -3.2856 -3.2856 -3.2844 -3.2844 -2.4172 -2.4172 -2.4094 -2.4094 3.6823 3.6823 3.7123 3.7123 4.3518 4.3518 4.3721 4.3721 5.4224 5.4224 5.5592 5.5592 5.7833 5.7833 5.8376 5.8376 6.5918 6.5918 6.6133 6.6133 6.9386 6.9386 6.9981 6.9981 8.6911 8.6911 8.7343 8.7343 9.2592 9.2592 9.2865 9.2865 9.7652 9.7652 9.7727 9.7727 10.4151 10.4151 10.4433 10.4433 k = 0.1786-0.0000 0.2552 ( 7792 PWs) bands (ev): -3.2597 -3.2597 -3.2583 -3.2583 -2.4049 -2.4049 -2.3966 -2.3966 3.7134 3.7134 3.7486 3.7486 4.3513 4.3513 4.3752 4.3752 5.3628 5.3628 5.5191 5.5191 5.7180 5.7180 5.7812 5.7812 6.5418 6.5418 6.5585 6.5585 6.9206 6.9206 6.9472 6.9472 8.7240 8.7240 8.7658 8.7658 9.1961 9.1961 9.2233 9.2233 9.7702 9.7702 9.7809 9.7809 10.4389 10.4389 10.4689 10.4689 k = 0.1905-0.0000 0.2552 ( 7794 PWs) bands (ev): -3.2323 -3.2323 -3.2308 -3.2308 -2.3922 -2.3922 -2.3835 -2.3835 3.7453 3.7453 3.7867 3.7867 4.3498 4.3498 4.3777 4.3777 5.2931 5.2931 5.4612 5.4612 5.6697 5.6697 5.7335 5.7335 6.4676 6.4676 6.5221 6.5221 6.8988 6.8988 6.9052 6.9052 8.7536 8.7536 8.7941 8.7941 9.1344 9.1344 9.1614 9.1614 9.7741 9.7741 9.7875 9.7875 10.4627 10.4627 10.4936 10.4936 k = 0.2024-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.2036 -3.2036 -3.2019 -3.2019 -2.3793 -2.3793 -2.3702 -2.3702 3.7778 3.7778 3.8265 3.8265 4.3471 4.3471 4.3796 4.3796 5.2155 5.2155 5.3890 5.3890 5.6356 5.6356 5.6933 5.6933 6.3924 6.3924 6.4824 6.4824 6.8532 6.8532 6.8909 6.8909 8.7786 8.7786 8.8182 8.8182 9.0751 9.0751 9.1020 9.1020 9.7780 9.7780 9.7936 9.7936 10.4859 10.4859 10.5166 10.5166 k = 0.2143-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.1736 -3.1736 -3.1717 -3.1717 -2.3663 -2.3663 -2.3568 -2.3568 3.8103 3.8103 3.8675 3.8675 4.3432 4.3432 4.3807 4.3807 5.1325 5.1325 5.3095 5.3095 5.6095 5.6095 5.6587 5.6587 6.3175 6.3175 6.4396 6.4396 6.8104 6.8104 6.8768 6.8768 8.7973 8.7973 8.8359 8.8359 9.0203 9.0203 9.0468 9.0468 9.7832 9.7832 9.8007 9.8007 10.5082 10.5082 10.5379 10.5379 k = 0.2262-0.0000 0.2552 ( 7770 PWs) bands (ev): -3.1423 -3.1423 -3.1402 -3.1402 -2.3533 -2.3533 -2.3434 -2.3434 3.8422 3.8422 3.9095 3.9095 4.3380 4.3380 4.3810 4.3810 5.0465 5.0465 5.2279 5.2279 5.5871 5.5871 5.6281 5.6281 6.2436 6.2436 6.3939 6.3939 6.7704 6.7704 6.8623 6.8623 8.8066 8.8066 8.8432 8.8432 8.9740 8.9740 8.9987 8.9987 9.7909 9.7909 9.8100 9.8100 10.5295 10.5295 10.5576 10.5576 k = 0.2381-0.0000 0.2552 ( 7774 PWs) bands (ev): -3.1100 -3.1100 -3.1076 -3.1076 -2.3405 -2.3405 -2.3302 -2.3302 3.8728 3.8728 3.9518 3.9518 4.3317 4.3317 4.3804 4.3804 4.9595 4.9595 5.1475 5.1475 5.5665 5.5665 5.6006 5.6006 6.1717 6.1717 6.3460 6.3460 6.7327 6.7327 6.8468 6.8468 8.8023 8.8023 8.8325 8.8325 8.9436 8.9436 8.9620 8.9620 9.8021 9.8021 9.8227 9.8227 10.5501 10.5501 10.5765 10.5765 k = 0.2500-0.0000 0.2552 ( 7778 PWs) bands (ev): -3.0766 -3.0766 -3.0740 -3.0740 -2.3279 -2.3279 -2.3172 -2.3172 3.9012 3.9012 3.9934 3.9934 4.3248 4.3248 4.3787 4.3787 4.8732 4.8732 5.0702 5.0702 5.5466 5.5466 5.5756 5.5756 6.1021 6.1021 6.2962 6.2962 6.6966 6.6966 6.8298 6.8298 8.7817 8.7817 8.8022 8.8022 8.9311 8.9311 8.9392 8.9392 9.8177 9.8177 9.8395 9.8395 10.5704 10.5704 10.5951 10.5951 k = 0.2619-0.0000 0.2552 ( 7808 PWs) bands (ev): -3.0423 -3.0423 -3.0395 -3.0395 -2.3157 -2.3157 -2.3047 -2.3047 3.9264 3.9264 4.0329 4.0329 4.3179 4.3179 4.3756 4.3756 4.7890 4.7890 4.9981 4.9981 5.5274 5.5274 5.5528 5.5528 6.0354 6.0354 6.2452 6.2452 6.6616 6.6616 6.8109 6.8109 8.7491 8.7491 8.7624 8.7624 8.9262 8.9262 8.9266 8.9266 9.8380 9.8380 9.8609 9.8609 10.5911 10.5911 10.6141 10.6141 k = 0.2738-0.0000 0.2552 ( 7812 PWs) bands (ev): -3.0072 -3.0072 -3.0041 -3.0041 -2.3041 -2.3041 -2.2928 -2.2928 3.9473 3.9473 4.0679 4.0679 4.3123 4.3123 4.3706 4.3706 4.7087 4.7087 4.9331 4.9331 5.5089 5.5089 5.5322 5.5322 5.9719 5.9719 6.1934 6.1934 6.6269 6.6269 6.7898 6.7898 8.7113 8.7113 8.7210 8.7210 8.9177 8.9177 8.9216 8.9216 9.8633 9.8633 9.8871 9.8871 10.6124 10.6124 10.6340 10.6340 k = 0.2857-0.0000 0.2552 ( 7812 PWs) bands (ev): -2.9713 -2.9713 -2.9679 -2.9679 -2.2932 -2.2932 -2.2817 -2.2817 3.9628 3.9628 4.0949 4.0949 4.3094 4.3094 4.3629 4.3629 4.6351 4.6351 4.8774 4.8774 5.4914 5.4914 5.5139 5.5139 5.9118 5.9118 6.1413 6.1413 6.5920 6.5920 6.7660 6.7660 8.6730 8.6730 8.6812 8.6812 8.9084 8.9084 8.9146 8.9146 9.8933 9.8933 9.9180 9.9180 10.6348 10.6348 10.6553 10.6553 k = 0.2976-0.0000 0.2552 ( 7808 PWs) bands (ev): -2.9349 -2.9349 -2.9312 -2.9312 -2.2831 -2.2831 -2.2714 -2.2714 3.9722 3.9722 4.1101 4.1101 4.3082 4.3082 4.3508 4.3508 4.5734 4.5734 4.8335 4.8335 5.4752 5.4752 5.4981 5.4981 5.8552 5.8552 6.0894 6.0894 6.5563 6.5563 6.7393 6.7393 8.6365 8.6365 8.6444 8.6444 8.8972 8.8972 8.9047 8.9047 9.9277 9.9277 9.9531 9.9531 10.6585 10.6585 10.6779 10.6779 k = 0.3095-0.0000 0.2552 ( 7806 PWs) bands (ev): -2.8981 -2.8981 -2.8940 -2.8940 -2.2741 -2.2741 -2.2622 -2.2622 3.9750 3.9750 4.1120 4.1120 4.3010 4.3010 4.3329 4.3329 4.5332 4.5332 4.8036 4.8036 5.4608 5.4608 5.4850 5.4850 5.8022 5.8022 6.0378 6.0378 6.5194 6.5194 6.7095 6.7095 8.6030 8.6030 8.6111 8.6111 8.8835 8.8835 8.8917 8.8917 9.9659 9.9660 9.9920 9.9920 10.6833 10.6833 10.7018 10.7018 k = 0.3214-0.0000 0.2552 ( 7808 PWs) bands (ev): -2.8609 -2.8609 -2.8565 -2.8565 -2.2662 -2.2662 -2.2542 -2.2542 3.9713 3.9713 4.1026 4.1026 4.2758 4.2758 4.3081 4.3081 4.5251 4.5251 4.7885 4.7885 5.4487 5.4487 5.4748 5.4748 5.7528 5.7528 5.9868 5.9868 6.4809 6.4809 6.6764 6.6764 8.5732 8.5732 8.5816 8.5816 8.8674 8.8674 8.8761 8.8761 10.0075 10.0075 10.0341 10.0341 10.7091 10.7091 10.7265 10.7265 k = 0.3333-0.0000 0.2552 ( 7812 PWs) bands (ev): -2.8235 -2.8235 -2.8188 -2.8188 -2.2597 -2.2597 -2.2475 -2.2475 3.9619 3.9619 4.0849 4.0849 4.2329 4.2329 4.2768 4.2768 4.5462 4.5462 4.7877 4.7877 5.4391 5.4391 5.4676 5.4676 5.7072 5.7072 5.9365 5.9365 6.4405 6.4405 6.6398 6.6398 8.5474 8.5474 8.5562 8.5562 8.8493 8.8493 8.8583 8.8583 10.0517 10.0517 10.0788 10.0788 10.7352 10.7352 10.7514 10.7514 k = 0.3452-0.0000 0.2552 ( 7802 PWs) bands (ev): -2.7861 -2.7861 -2.7810 -2.7810 -2.2546 -2.2546 -2.2423 -2.2423 3.9478 3.9478 4.0618 4.0618 4.1817 4.1817 4.2403 4.2403 4.5846 4.5846 4.7988 4.7988 5.4321 5.4321 5.4635 5.4635 5.6654 5.6654 5.8871 5.8871 6.3981 6.3981 6.5999 6.5999 8.5257 8.5257 8.5348 8.5348 8.8295 8.8295 8.8387 8.8387 10.0980 10.0980 10.1255 10.1255 10.7609 10.7609 10.7755 10.7755 k = 0.3571-0.0000 0.2552 ( 7798 PWs) bands (ev): -2.7488 -2.7488 -2.7433 -2.7433 -2.2511 -2.2511 -2.2387 -2.2387 3.9302 3.9302 4.0351 4.0351 4.1292 4.1292 4.2005 4.2005 4.6324 4.6324 4.8192 4.8192 5.4275 5.4275 5.4626 5.4626 5.6281 5.6281 5.8387 5.8387 6.3536 6.3536 6.5566 6.5566 8.5081 8.5081 8.5175 8.5175 8.8083 8.8083 8.8177 8.8177 10.1458 10.1458 10.1737 10.1737 10.7851 10.7851 10.7977 10.7977 k = 0.3690-0.0000 0.2552 ( 7786 PWs) bands (ev): -2.7117 -2.7117 -2.7059 -2.7059 -2.2493 -2.2493 -2.2370 -2.2370 3.9105 3.9105 4.0061 4.0061 4.0787 4.0787 4.1590 4.1590 4.6852 4.6852 4.8460 4.8460 5.4243 5.4243 5.4650 5.4650 5.5964 5.5964 5.7913 5.7913 6.3070 6.3070 6.5102 6.5102 8.4945 8.4945 8.5041 8.5041 8.7862 8.7862 8.7957 8.7957 10.1947 10.1947 10.2227 10.2227 10.8069 10.8069 10.8168 10.8168 k = 0.3810-0.0000 0.2552 ( 7794 PWs) bands (ev): -2.6751 -2.6751 -2.6688 -2.6688 -2.2494 -2.2494 -2.2371 -2.2371 3.8900 3.8900 3.9756 3.9756 4.0318 4.0318 4.1171 4.1171 4.7410 4.7410 4.8769 4.8769 5.4203 5.4203 5.4708 5.4708 5.5728 5.5728 5.7450 5.7450 6.2585 6.2585 6.4608 6.4608 8.4848 8.4848 8.4944 8.4944 8.7634 8.7634 8.7729 8.7729 10.2441 10.2441 10.2722 10.2722 10.8248 10.8248 10.8316 10.8316 k = 0.3929-0.0000 0.2552 ( 7800 PWs) bands (ev): -2.6391 -2.6391 -2.6324 -2.6324 -2.2515 -2.2515 -2.2392 -2.2392 3.8698 3.8698 3.9446 3.9446 3.9894 3.9894 4.0759 4.0759 4.7984 4.7984 4.9102 4.9102 5.4121 5.4121 5.4797 5.4797 5.5607 5.5607 5.6997 5.6997 6.2083 6.2083 6.4087 6.4087 8.4788 8.4788 8.4884 8.4884 8.7403 8.7403 8.7498 8.7498 10.2936 10.2936 10.3217 10.3217 10.8378 10.8378 10.8411 10.8411 k = 0.4048-0.0000 0.2552 ( 7804 PWs) bands (ev): -2.6038 -2.6038 -2.5967 -2.5967 -2.2556 -2.2556 -2.2434 -2.2434 3.8510 3.8510 3.9140 3.9140 3.9517 3.9517 4.0360 4.0360 4.8567 4.8567 4.9444 4.9444 5.3972 5.3972 5.4918 5.4918 5.5625 5.5625 5.6558 5.6558 6.1566 6.1566 6.3542 6.3542 8.4763 8.4763 8.4857 8.4857 8.7170 8.7170 8.7265 8.7265 10.3428 10.3428 10.3708 10.3708 10.8447 10.8447 10.8450 10.8450 k = 0.4167-0.0000 0.2552 ( 7808 PWs) bands (ev): -2.5695 -2.5695 -2.5619 -2.5619 -2.2619 -2.2619 -2.2498 -2.2498 3.8343 3.8343 3.8850 3.8850 3.9186 3.9186 3.9980 3.9980 4.9152 4.9152 4.9786 4.9786 5.3764 5.3764 5.5062 5.5062 5.5775 5.5775 5.6139 5.6139 6.1038 6.1038 6.2977 6.2977 8.4769 8.4769 8.4861 8.4861 8.6939 8.6939 8.7033 8.7033 10.3914 10.3914 10.4190 10.4190 10.8423 10.8423 10.8461 10.8461 k = 0.4286-0.0000 0.2552 ( 7808 PWs) bands (ev): -2.5362 -2.5362 -2.5282 -2.5282 -2.2703 -2.2703 -2.2584 -2.2584 3.8205 3.8205 3.8589 3.8589 3.8894 3.8894 3.9623 3.9623 4.9732 4.9732 5.0120 5.0120 5.3520 5.3520 5.5181 5.5181 5.5786 5.5786 5.6029 5.6029 6.0503 6.0503 6.2396 6.2396 8.4805 8.4805 8.4895 8.4895 8.6711 8.6711 8.6804 8.6804 10.4390 10.4390 10.4662 10.4662 10.8339 10.8339 10.8412 10.8412 k = 0.4405-0.0000 0.2552 ( 7800 PWs) bands (ev): -2.5041 -2.5041 -2.4958 -2.4958 -2.2810 -2.2810 -2.2692 -2.2692 3.8100 3.8100 3.8366 3.8366 3.8640 3.8640 3.9295 3.9295 5.0304 5.0304 5.0443 5.0443 5.3258 5.3258 5.5058 5.5058 5.5718 5.5718 5.6366 5.6366 5.9964 5.9964 6.1803 6.1803 8.4867 8.4867 8.4956 8.4956 8.6487 8.6487 8.6579 8.6579 10.4853 10.4853 10.5119 10.5119 10.8202 10.8202 10.8305 10.8305 k = 0.4524-0.0000 0.2552 ( 7808 PWs) bands (ev): -2.4735 -2.4735 -2.4647 -2.4647 -2.2939 -2.2939 -2.2824 -2.2824 3.8033 3.8033 3.8187 3.8187 3.8422 3.8422 3.8998 3.8998 5.0753 5.0753 5.0863 5.0863 5.2989 5.2989 5.4694 5.4694 5.5931 5.5931 5.6769 5.6769 5.9428 5.9428 6.1203 6.1203 8.4953 8.4953 8.5041 8.5041 8.6270 8.6270 8.6361 8.6361 10.5300 10.5300 10.5558 10.5558 10.8015 10.8015 10.8145 10.8145 k = 0.4643-0.0000 0.2552 ( 7820 PWs) bands (ev): -2.4444 -2.4444 -2.4352 -2.4352 -2.3090 -2.3090 -2.2978 -2.2978 3.8006 3.8006 3.8054 3.8054 3.8241 3.8241 3.8736 3.8736 5.1052 5.1052 5.1406 5.1406 5.2717 5.2717 5.4276 5.4276 5.6234 5.6234 5.7226 5.7226 5.8900 5.8900 6.0599 6.0599 8.5061 8.5061 8.5148 8.5148 8.6061 8.6061 8.6150 8.6150 10.5729 10.5729 10.5978 10.5978 10.7786 10.7786 10.7940 10.7940 k = 0.4762-0.0000 0.2552 ( 7814 PWs) bands (ev): -2.4169 -2.4169 -2.4074 -2.4074 -2.3264 -2.3264 -2.3155 -2.3155 3.7970 3.7970 3.8022 3.8022 3.8099 3.8099 3.8511 3.8511 5.1341 5.1341 5.1930 5.1930 5.2445 5.2445 5.3840 5.3840 5.6590 5.6590 5.7726 5.7726 5.8386 5.8386 5.9997 5.9997 8.5189 8.5189 8.5276 8.5276 8.5861 8.5861 8.5950 8.5950 10.6138 10.6138 10.6376 10.6376 10.7518 10.7518 10.7693 10.7693 k = 0.4881-0.0000 0.2552 ( 7820 PWs) bands (ev): -2.3913 -2.3913 -2.3814 -2.3814 -2.3460 -2.3460 -2.3353 -2.3353 3.7933 3.7933 3.7999 3.7999 3.8080 3.8080 3.8326 3.8326 5.1623 5.1623 5.2173 5.2173 5.2435 5.2435 5.3388 5.3388 5.6988 5.6988 5.7891 5.7891 5.8261 5.8261 5.9403 5.9403 8.5335 8.5335 8.5422 8.5422 8.5673 8.5673 8.5760 8.5760 10.6523 10.6523 10.6749 10.6749 10.7216 10.7216 10.7410 10.7410 k = 0.5000-0.0000 0.2552 ( 7812 PWs) bands (ev): -2.3676 -2.3676 -2.3676 -2.3676 -2.3573 -2.3573 -2.3573 -2.3573 3.7943 3.7943 3.7943 3.7943 3.8182 3.8182 3.8182 3.8182 5.1899 5.1899 5.1899 5.1899 5.2920 5.2920 5.2920 5.2920 5.7424 5.7424 5.7424 5.7424 5.8822 5.8822 5.8822 5.8822 8.5497 8.5497 8.5497 8.5497 8.5584 8.5584 8.5584 8.5584 10.6883 10.6883 10.6883 10.6883 10.7094 10.7094 10.7094 10.7094 k = 0.5000-0.0000 0.2552 ( 7812 PWs) bands (ev): -2.3676 -2.3676 -2.3676 -2.3676 -2.3573 -2.3573 -2.3573 -2.3573 3.7943 3.7943 3.7943 3.7943 3.8182 3.8182 3.8182 3.8182 5.1899 5.1899 5.1899 5.1899 5.2920 5.2920 5.2920 5.2920 5.7424 5.7424 5.7424 5.7424 5.8822 5.8822 5.8822 5.8822 8.5497 8.5497 8.5497 8.5497 8.5584 8.5584 8.5584 8.5584 10.6883 10.6883 10.6883 10.6883 10.7094 10.7094 10.7094 10.7094 k = 0.5000 0.0118 0.2552 ( 7824 PWs) bands (ev): -2.3677 -2.3677 -2.3675 -2.3675 -2.3574 -2.3574 -2.3572 -2.3572 3.7913 3.7913 3.7933 3.7933 3.8159 3.8159 3.8161 3.8161 5.1888 5.1888 5.1956 5.1956 5.2916 5.2916 5.2965 5.2965 5.7416 5.7416 5.7455 5.7455 5.8803 5.8803 5.8861 5.8861 8.5489 8.5489 8.5506 8.5506 8.5580 8.5580 8.5589 8.5589 10.6881 10.6881 10.6898 10.6898 10.7095 10.7095 10.7105 10.7105 k = 0.5000 0.0236 0.2552 ( 7816 PWs) bands (ev): -2.3677 -2.3677 -2.3672 -2.3672 -2.3575 -2.3575 -2.3570 -2.3570 3.7845 3.7845 3.7884 3.7884 3.8094 3.8094 3.8100 3.8100 5.1923 5.1923 5.2057 5.2057 5.2953 5.2953 5.3049 5.3049 5.7434 5.7434 5.7511 5.7511 5.8803 5.8803 5.8920 5.8920 8.5484 8.5484 8.5516 8.5516 8.5577 8.5577 8.5597 8.5597 10.6890 10.6890 10.6924 10.6924 10.7107 10.7107 10.7126 10.7126 k = 0.5000 0.0354 0.2552 ( 7824 PWs) bands (ev): -2.3676 -2.3676 -2.3668 -2.3668 -2.3575 -2.3575 -2.3568 -2.3568 3.7740 3.7740 3.7797 3.7797 3.7990 3.7990 3.7999 3.7999 5.1999 5.1999 5.2198 5.2198 5.3027 5.3027 5.3166 5.3166 5.7480 5.7480 5.7591 5.7591 5.8824 5.8824 5.8999 5.8999 8.5479 8.5479 8.5528 8.5528 8.5577 8.5577 8.5607 8.5607 10.6911 10.6911 10.6961 10.6961 10.7129 10.7129 10.7157 10.7157 k = 0.5000 0.0472 0.2552 ( 7812 PWs) bands (ev): -2.3674 -2.3674 -2.3664 -2.3664 -2.3574 -2.3574 -2.3565 -2.3565 3.7602 3.7602 3.7676 3.7676 3.7851 3.7851 3.7863 3.7863 5.2112 5.2112 5.2374 5.2374 5.3133 5.3133 5.3310 5.3310 5.7555 5.7555 5.7698 5.7698 5.8867 5.8867 5.9098 5.9098 8.5476 8.5476 8.5541 8.5541 8.5577 8.5577 8.5618 8.5618 10.6942 10.6942 10.7008 10.7008 10.7160 10.7160 10.7198 10.7198 k = 0.5000 0.0591 0.2552 ( 7816 PWs) bands (ev): -2.3671 -2.3671 -2.3659 -2.3659 -2.3573 -2.3573 -2.3563 -2.3563 3.7437 3.7437 3.7526 3.7526 3.7680 3.7680 3.7698 3.7698 5.2256 5.2256 5.2577 5.2577 5.3264 5.3264 5.3472 5.3472 5.7663 5.7663 5.7832 5.7832 5.8934 5.8934 5.9219 5.9219 8.5475 8.5475 8.5555 8.5555 8.5579 8.5579 8.5631 8.5631 10.6981 10.6981 10.7063 10.7063 10.7199 10.7199 10.7245 10.7245 k = 0.5000 0.0709 0.2552 ( 7816 PWs) bands (ev): -2.3668 -2.3668 -2.3653 -2.3653 -2.3572 -2.3572 -2.3559 -2.3559 3.7248 3.7248 3.7351 3.7351 3.7485 3.7485 3.7507 3.7507 5.2422 5.2422 5.2798 5.2798 5.3412 5.3412 5.3641 5.3641 5.7808 5.7808 5.7996 5.7996 5.9026 5.9026 5.9360 5.9360 8.5475 8.5475 8.5571 8.5571 8.5583 8.5583 8.5646 8.5646 10.7028 10.7028 10.7124 10.7124 10.7243 10.7243 10.7298 10.7298 k = 0.5000 0.0827 0.2552 ( 7804 PWs) bands (ev): -2.3664 -2.3664 -2.3646 -2.3646 -2.3571 -2.3571 -2.3556 -2.3556 3.7043 3.7043 3.7156 3.7156 3.7270 3.7270 3.7299 3.7299 5.2603 5.2603 5.3029 5.3029 5.3568 5.3568 5.3809 5.3809 5.7991 5.7991 5.8190 5.8190 5.9144 5.9144 5.9524 5.9524 8.5476 8.5476 8.5587 8.5587 8.5589 8.5589 8.5663 8.5663 10.7079 10.7079 10.7187 10.7187 10.7289 10.7289 10.7352 10.7352 k = 0.5000 0.0945 0.2552 ( 7816 PWs) bands (ev): -2.3659 -2.3659 -2.3639 -2.3639 -2.3569 -2.3569 -2.3552 -2.3552 3.6826 3.6826 3.6948 3.6948 3.7041 3.7041 3.7077 3.7077 5.2792 5.2792 5.3261 5.3261 5.3725 5.3725 5.3967 5.3967 5.8215 5.8215 5.8415 5.8415 5.9290 5.9290 5.9708 5.9708 8.5479 8.5479 8.5592 8.5592 8.5607 8.5607 8.5682 8.5682 10.7132 10.7132 10.7250 10.7250 10.7335 10.7335 10.7404 10.7404 k = 0.5000 0.1063 0.2552 ( 7816 PWs) bands (ev): -2.3653 -2.3653 -2.3632 -2.3632 -2.3567 -2.3567 -2.3549 -2.3549 3.6601 3.6601 3.6731 3.6731 3.6805 3.6805 3.6847 3.6847 5.2982 5.2982 5.3485 5.3485 5.3877 5.3877 5.4109 5.4109 5.8477 5.8477 5.8669 5.8669 5.9464 5.9464 5.9913 5.9913 8.5483 8.5483 8.5598 8.5598 8.5628 8.5628 8.5702 8.5702 10.7182 10.7182 10.7309 10.7309 10.7376 10.7376 10.7452 10.7452 k = 0.5000 0.1181 0.2552 ( 7812 PWs) bands (ev): -2.3647 -2.3647 -2.3624 -2.3624 -2.3566 -2.3566 -2.3545 -2.3545 3.6375 3.6375 3.6511 3.6511 3.6565 3.6565 3.6615 3.6615 5.3168 5.3168 5.3697 5.3697 5.4019 5.4019 5.4231 5.4231 5.8774 5.8774 5.8950 5.8950 5.9664 5.9664 6.0136 6.0136 8.5489 8.5489 8.5605 8.5605 8.5649 8.5649 8.5724 8.5724 10.7226 10.7226 10.7359 10.7359 10.7409 10.7409 10.7488 10.7488 k = 0.5000 0.1299 0.2552 ( 7800 PWs) bands (ev): -2.3641 -2.3641 -2.3616 -2.3616 -2.3564 -2.3564 -2.3541 -2.3541 3.6151 3.6151 3.6291 3.6291 3.6327 3.6327 3.6384 3.6384 5.3345 5.3345 5.3889 5.3889 5.4147 5.4147 5.4331 5.4331 5.9100 5.9100 5.9253 5.9253 5.9888 5.9888 6.0373 6.0373 8.5496 8.5496 8.5612 8.5612 8.5672 8.5672 8.5747 8.5747 10.7259 10.7259 10.7395 10.7395 10.7427 10.7427 10.7511 10.7511 k = 0.5000 0.1417 0.2552 ( 7796 PWs) bands (ev): -2.3634 -2.3634 -2.3607 -2.3607 -2.3562 -2.3562 -2.3538 -2.3538 3.5932 3.5932 3.6076 3.6076 3.6094 3.6094 3.6159 3.6159 5.3510 5.3510 5.4061 5.4061 5.4261 5.4261 5.4412 5.4412 5.9446 5.9446 5.9572 5.9572 6.0132 6.0132 6.0621 6.0621 8.5504 8.5504 8.5619 8.5619 8.5696 8.5696 8.5770 8.5770 10.7278 10.7278 10.7414 10.7414 10.7427 10.7427 10.7513 10.7513 k = 0.5000 0.1535 0.2552 ( 7796 PWs) bands (ev): -2.3627 -2.3627 -2.3599 -2.3599 -2.3561 -2.3561 -2.3535 -2.3535 3.5723 3.5723 3.5869 3.5869 3.5870 3.5870 3.5943 3.5943 5.3662 5.3662 5.4210 5.4210 5.4360 5.4360 5.4474 5.4474 5.9805 5.9805 5.9900 5.9900 6.0389 6.0389 6.0874 6.0874 8.5514 8.5514 8.5626 8.5626 8.5721 8.5721 8.5794 8.5794 10.7278 10.7278 10.7406 10.7406 10.7410 10.7410 10.7493 10.7493 k = 0.5000 0.1654 0.2552 ( 7796 PWs) bands (ev): -2.3620 -2.3620 -2.3590 -2.3590 -2.3559 -2.3559 -2.3532 -2.3532 3.5527 3.5527 3.5659 3.5659 3.5674 3.5674 3.5739 3.5739 5.3799 5.3799 5.4336 5.4336 5.4445 5.4445 5.4519 5.4519 6.0166 6.0166 6.0230 6.0230 6.0653 6.0653 6.1126 6.1126 8.5524 8.5524 8.5632 8.5632 8.5746 8.5746 8.5818 8.5818 10.7257 10.7257 10.7360 10.7360 10.7381 10.7381 10.7449 10.7449 k = 0.5000 0.1772 0.2552 ( 7808 PWs) bands (ev): -2.3613 -2.3613 -2.3582 -2.3582 -2.3558 -2.3558 -2.3530 -2.3530 3.5346 3.5346 3.5463 3.5463 3.5493 3.5493 3.5550 3.5550 5.3921 5.3921 5.4442 5.4442 5.4517 5.4517 5.4551 5.4551 6.0522 6.0522 6.0553 6.0553 6.0916 6.0916 6.1371 6.1371 8.5536 8.5536 8.5638 8.5638 8.5772 8.5772 8.5841 8.5841 10.7214 10.7214 10.7292 10.7292 10.7328 10.7328 10.7380 10.7380 k = 0.5000 0.1890 0.2552 ( 7808 PWs) bands (ev): -2.3607 -2.3607 -2.3574 -2.3574 -2.3558 -2.3558 -2.3528 -2.3528 3.5181 3.5181 3.5284 3.5284 3.5329 3.5329 3.5378 3.5378 5.4029 5.4029 5.4528 5.4528 5.4570 5.4570 5.4577 5.4577 6.0862 6.0862 6.0863 6.0863 6.1169 6.1169 6.1602 6.1602 8.5548 8.5548 8.5643 8.5643 8.5798 8.5798 8.5863 8.5863 10.7150 10.7150 10.7204 10.7204 10.7252 10.7252 10.7291 10.7291 k = 0.5000 0.2008 0.2552 ( 7812 PWs) bands (ev): -2.3600 -2.3600 -2.3567 -2.3567 -2.3558 -2.3558 -2.3526 -2.3526 3.5037 3.5037 3.5124 3.5124 3.5183 3.5183 3.5224 3.5224 5.4124 5.4124 5.4580 5.4580 5.4598 5.4598 5.4627 5.4627 6.1149 6.1149 6.1183 6.1183 6.1405 6.1405 6.1812 6.1812 8.5561 8.5561 8.5647 8.5647 8.5823 8.5823 8.5882 8.5882 10.7069 10.7069 10.7102 10.7102 10.7160 10.7160 10.7187 10.7187 k = 0.5000 0.2126 0.2552 ( 7812 PWs) bands (ev): -2.3594 -2.3594 -2.3560 -2.3560 -2.3558 -2.3558 -2.3526 -2.3526 3.4913 3.4913 3.4986 3.4986 3.5058 3.5058 3.5092 3.5092 5.4207 5.4207 5.4581 5.4581 5.4652 5.4652 5.4668 5.4668 6.1408 6.1408 6.1473 6.1473 6.1616 6.1616 6.1995 6.1995 8.5575 8.5575 8.5649 8.5649 8.5848 8.5848 8.5900 8.5900 10.6979 10.6979 10.6995 10.6995 10.7060 10.7060 10.7078 10.7078 k = 0.5000 0.2244 0.2552 ( 7816 PWs) bands (ev): -2.3588 -2.3588 -2.3559 -2.3559 -2.3553 -2.3553 -2.3526 -2.3526 3.4811 3.4811 3.4869 3.4869 3.4954 3.4954 3.4981 3.4981 5.4279 5.4279 5.4574 5.4574 5.4693 5.4693 5.4700 5.4700 6.1632 6.1632 6.1729 6.1729 6.1796 6.1796 6.2144 6.2144 8.5588 8.5588 8.5650 8.5650 8.5870 8.5870 8.5914 8.5914 10.6888 10.6888 10.6891 10.6891 10.6961 10.6961 10.6972 10.6972 k = 0.5000 0.2362 0.2552 ( 7808 PWs) bands (ev): -2.3582 -2.3582 -2.3560 -2.3560 -2.3547 -2.3547 -2.3526 -2.3526 3.4732 3.4732 3.4776 3.4776 3.4873 3.4873 3.4893 3.4893 5.4342 5.4342 5.4560 5.4560 5.4723 5.4723 5.4725 5.4725 6.1816 6.1816 6.1937 6.1937 6.1944 6.1944 6.2254 6.2254 8.5600 8.5600 8.5648 8.5648 8.5890 8.5890 8.5924 8.5924 10.6801 10.6801 10.6804 10.6804 10.6872 10.6872 10.6879 10.6879 k = 0.5000 0.2480 0.2552 ( 7812 PWs) bands (ev): -2.3577 -2.3577 -2.3562 -2.3562 -2.3542 -2.3542 -2.3528 -2.3528 3.4677 3.4677 3.4706 3.4706 3.4815 3.4815 3.4828 3.4828 5.4396 5.4396 5.4540 5.4540 5.4742 5.4742 5.4742 5.4742 6.1957 6.1957 6.2037 6.2037 6.2116 6.2116 6.2322 6.2322 8.5612 8.5612 8.5645 8.5645 8.5906 8.5906 8.5930 8.5930 10.6731 10.6731 10.6736 10.6736 10.6802 10.6802 10.6805 10.6805 k = 0.5000 0.2598 0.2552 ( 7816 PWs) bands (ev): -2.3572 -2.3572 -2.3565 -2.3565 -2.3537 -2.3537 -2.3530 -2.3530 3.4647 3.4647 3.4662 3.4662 3.4782 3.4782 3.4788 3.4788 5.4442 5.4442 5.4514 5.4514 5.4753 5.4753 5.4754 5.4754 6.2050 6.2050 6.2090 6.2090 6.2240 6.2240 6.2343 6.2343 8.5623 8.5623 8.5639 8.5639 8.5919 8.5919 8.5931 8.5931 10.6688 10.6688 10.6692 10.6692 10.6758 10.6758 10.6759 10.6759 k = 0.5000 0.2716 0.2552 ( 7816 PWs) bands (ev): -2.3568 -2.3568 -2.3568 -2.3568 -2.3533 -2.3533 -2.3533 -2.3533 3.4642 3.4642 3.4642 3.4642 3.4773 3.4773 3.4773 3.4773 5.4481 5.4481 5.4481 5.4481 5.4757 5.4757 5.4757 5.4757 6.2094 6.2094 6.2094 6.2094 6.2316 6.2316 6.2316 6.2316 8.5632 8.5632 8.5632 8.5632 8.5927 8.5927 8.5927 8.5927 10.6675 10.6675 10.6675 10.6675 10.6743 10.6743 10.6743 10.6743 k = 0.5000 0.2716 0.2552 ( 7816 PWs) bands (ev): -2.3568 -2.3568 -2.3568 -2.3568 -2.3533 -2.3533 -2.3533 -2.3533 3.4642 3.4642 3.4642 3.4642 3.4773 3.4773 3.4773 3.4773 5.4481 5.4481 5.4481 5.4481 5.4757 5.4757 5.4757 5.4757 6.2094 6.2094 6.2094 6.2094 6.2316 6.2316 6.2316 6.2316 8.5632 8.5632 8.5632 8.5632 8.5927 8.5927 8.5927 8.5927 10.6675 10.6675 10.6675 10.6675 10.6743 10.6743 10.6743 10.6743 k = 0.4881 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.3677 -2.3677 -2.3677 -2.3677 -2.3447 -2.3447 -2.3447 -2.3447 3.4562 3.4562 3.4562 3.4562 3.4901 3.4901 3.4901 3.4901 5.4345 5.4345 5.4345 5.4345 5.4902 5.4902 5.4902 5.4902 6.1969 6.1969 6.1969 6.1969 6.2425 6.2425 6.2425 6.2425 8.5634 8.5634 8.5634 8.5634 8.5933 8.5933 8.5933 8.5933 10.6441 10.6441 10.6442 10.6442 10.6930 10.6930 10.6930 10.6930 k = 0.4762 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.3824 -2.3824 -2.3824 -2.3824 -2.3368 -2.3368 -2.3368 -2.3368 3.4485 3.4485 3.4485 3.4485 3.5121 3.5121 3.5121 3.5121 5.4135 5.4135 5.4135 5.4135 5.5138 5.5138 5.5138 5.5138 6.1760 6.1760 6.1760 6.1760 6.2585 6.2585 6.2585 6.2585 8.5641 8.5641 8.5641 8.5641 8.5951 8.5951 8.5951 8.5951 10.6130 10.6130 10.6130 10.6130 10.7106 10.7106 10.7106 10.7106 k = 0.4643 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.3991 -2.3991 -2.3991 -2.3991 -2.3312 -2.3312 -2.3312 -2.3312 3.4454 3.4454 3.4454 3.4454 3.5390 3.5390 3.5390 3.5390 5.3927 5.3927 5.3927 5.3927 5.5388 5.5388 5.5388 5.5388 6.1528 6.1528 6.1528 6.1528 6.2738 6.2738 6.2738 6.2738 8.5653 8.5653 8.5653 8.5653 8.5982 8.5982 8.5982 8.5982 10.5768 10.5768 10.5768 10.5768 10.7246 10.7246 10.7246 10.7246 k = 0.4524 0.2716 0.2552 ( 7824 PWs) bands (ev): -2.4178 -2.4178 -2.4178 -2.4178 -2.3280 -2.3280 -2.3280 -2.3280 3.4473 3.4473 3.4473 3.4473 3.5701 3.5701 3.5701 3.5701 5.3731 5.3731 5.3731 5.3731 5.5641 5.5641 5.5641 5.5641 6.1282 6.1282 6.1282 6.1282 6.2878 6.2878 6.2878 6.2878 8.5669 8.5669 8.5669 8.5669 8.6026 8.6026 8.6026 8.6026 10.5358 10.5358 10.5358 10.5358 10.7355 10.7355 10.7355 10.7355 k = 0.4405 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.4384 -2.4384 -2.4384 -2.4384 -2.3271 -2.3271 -2.3271 -2.3271 3.4542 3.4542 3.4542 3.4542 3.6049 3.6049 3.6049 3.6049 5.3550 5.3550 5.3550 5.3550 5.5891 5.5891 5.5891 5.5891 6.1028 6.1028 6.1028 6.1028 6.3006 6.3006 6.3006 6.3006 8.5689 8.5689 8.5689 8.5689 8.6084 8.6084 8.6084 8.6084 10.4900 10.4900 10.4900 10.4900 10.7441 10.7441 10.7441 10.7441 k = 0.4286 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.4607 -2.4607 -2.4607 -2.4607 -2.3285 -2.3285 -2.3285 -2.3285 3.4661 3.4661 3.4661 3.4661 3.6431 3.6431 3.6431 3.6431 5.3386 5.3386 5.3386 5.3386 5.6134 5.6134 5.6134 5.6134 6.0769 6.0769 6.0769 6.0769 6.3125 6.3125 6.3125 6.3125 8.5713 8.5713 8.5713 8.5713 8.6157 8.6157 8.6157 8.6157 10.4399 10.4399 10.4399 10.4399 10.7508 10.7508 10.7508 10.7508 k = 0.4167 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.4846 -2.4846 -2.4846 -2.4846 -2.3321 -2.3321 -2.3321 -2.3321 3.4827 3.4827 3.4827 3.4827 3.6842 3.6842 3.6842 3.6842 5.3241 5.3241 5.3241 5.3241 5.6363 5.6363 5.6363 5.6363 6.0512 6.0512 6.0512 6.0512 6.3238 6.3238 6.3238 6.3238 8.5742 8.5742 8.5742 8.5742 8.6244 8.6244 8.6244 8.6244 10.3858 10.3858 10.3858 10.3858 10.7562 10.7562 10.7562 10.7562 k = 0.4048 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.5098 -2.5098 -2.5098 -2.5098 -2.3379 -2.3379 -2.3379 -2.3379 3.5041 3.5041 3.5041 3.5041 3.7277 3.7277 3.7277 3.7277 5.3117 5.3117 5.3117 5.3117 5.6572 5.6572 5.6572 5.6572 6.0261 6.0261 6.0261 6.0261 6.3350 6.3350 6.3350 6.3350 8.5775 8.5775 8.5775 8.5775 8.6346 8.6346 8.6346 8.6346 10.3280 10.3280 10.3280 10.3280 10.7606 10.7606 10.7606 10.7606 k = 0.3929 0.2716 0.2552 ( 7824 PWs) bands (ev): -2.5363 -2.5363 -2.5363 -2.5363 -2.3458 -2.3458 -2.3458 -2.3458 3.5299 3.5299 3.5299 3.5299 3.7729 3.7729 3.7729 3.7729 5.3014 5.3014 5.3014 5.3014 5.6755 5.6755 5.6755 5.6755 6.0025 6.0025 6.0025 6.0025 6.3467 6.3467 6.3467 6.3467 8.5815 8.5815 8.5815 8.5815 8.6464 8.6464 8.6464 8.6464 10.2670 10.2670 10.2670 10.2670 10.7644 10.7644 10.7644 10.7644 k = 0.3810 0.2716 0.2552 ( 7828 PWs) bands (ev): -2.5638 -2.5638 -2.5638 -2.5638 -2.3556 -2.3556 -2.3556 -2.3556 3.5600 3.5600 3.5600 3.5600 3.8191 3.8191 3.8191 3.8191 5.2934 5.2934 5.2934 5.2934 5.6904 5.6904 5.6904 5.6904 5.9810 5.9810 5.9810 5.9810 6.3595 6.3595 6.3595 6.3595 8.5863 8.5863 8.5863 8.5863 8.6596 8.6596 8.6596 8.6596 10.2033 10.2033 10.2033 10.2033 10.7674 10.7674 10.7674 10.7674 k = 0.3690 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.5923 -2.5923 -2.5923 -2.5923 -2.3672 -2.3672 -2.3672 -2.3672 3.5939 3.5939 3.5939 3.5939 3.8658 3.8658 3.8658 3.8658 5.2876 5.2876 5.2876 5.2876 5.7016 5.7016 5.7016 5.7016 5.9625 5.9625 5.9625 5.9625 6.3738 6.3738 6.3738 6.3738 8.5918 8.5918 8.5918 8.5918 8.6741 8.6741 8.6741 8.6741 10.1375 10.1375 10.1375 10.1375 10.7696 10.7696 10.7696 10.7696 k = 0.3571 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.6215 -2.6215 -2.6215 -2.6215 -2.3805 -2.3805 -2.3805 -2.3805 3.6314 3.6314 3.6314 3.6314 3.9121 3.9121 3.9121 3.9121 5.2839 5.2839 5.2839 5.2839 5.7090 5.7090 5.7090 5.7090 5.9476 5.9476 5.9476 5.9476 6.3903 6.3903 6.3903 6.3903 8.5984 8.5984 8.5984 8.5984 8.6900 8.6900 8.6900 8.6900 10.0701 10.0701 10.0701 10.0701 10.7705 10.7705 10.7705 10.7705 k = 0.3452 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.6513 -2.6513 -2.6513 -2.6513 -2.3953 -2.3953 -2.3953 -2.3953 3.6721 3.6721 3.6721 3.6721 3.9572 3.9572 3.9572 3.9572 5.2821 5.2821 5.2821 5.2821 5.7131 5.7131 5.7131 5.7131 5.9366 5.9366 5.9366 5.9366 6.4092 6.4092 6.4092 6.4092 8.6061 8.6061 8.6061 8.6061 8.7071 8.7071 8.7071 8.7071 10.0016 10.0016 10.0016 10.0016 10.7696 10.7696 10.7696 10.7696 k = 0.3333 0.2716 0.2552 ( 7812 PWs) bands (ev): -2.6815 -2.6815 -2.6815 -2.6815 -2.4115 -2.4115 -2.4115 -2.4115 3.7154 3.7154 3.7154 3.7154 4.0004 4.0004 4.0004 4.0004 5.2816 5.2816 5.2816 5.2816 5.7154 5.7154 5.7154 5.7154 5.9294 5.9294 5.9294 5.9294 6.4308 6.4308 6.4308 6.4308 8.6151 8.6151 8.6151 8.6151 8.7252 8.7252 8.7252 8.7252 9.9327 9.9327 9.9327 9.9327 10.7661 10.7661 10.7661 10.7661 k = 0.3214 0.2716 0.2552 ( 7812 PWs) bands (ev): -2.7119 -2.7119 -2.7119 -2.7119 -2.4288 -2.4288 -2.4288 -2.4288 3.7609 3.7609 3.7609 3.7609 4.0410 4.0410 4.0410 4.0410 5.2816 5.2816 5.2816 5.2816 5.7176 5.7176 5.7176 5.7176 5.9257 5.9257 5.9257 5.9257 6.4552 6.4552 6.4552 6.4552 8.6255 8.6255 8.6255 8.6255 8.7440 8.7440 8.7440 8.7440 9.8640 9.8640 9.8640 9.8640 10.7592 10.7592 10.7592 10.7592 k = 0.3095 0.2716 0.2552 ( 7812 PWs) bands (ev): -2.7425 -2.7425 -2.7425 -2.7425 -2.4472 -2.4472 -2.4472 -2.4472 3.8081 3.8081 3.8081 3.8081 4.0783 4.0783 4.0783 4.0783 5.2814 5.2814 5.2814 5.2814 5.7218 5.7218 5.7218 5.7218 5.9256 5.9256 5.9256 5.9256 6.4822 6.4822 6.4822 6.4822 8.6376 8.6376 8.6376 8.6376 8.7632 8.7632 8.7632 8.7632 9.7962 9.7962 9.7962 9.7962 10.7481 10.7481 10.7481 10.7481 k = 0.2976 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.7730 -2.7730 -2.7730 -2.7730 -2.4664 -2.4664 -2.4664 -2.4664 3.8562 3.8562 3.8562 3.8562 4.1119 4.1119 4.1119 4.1119 5.2797 5.2797 5.2797 5.2797 5.7299 5.7299 5.7299 5.7299 5.9292 5.9292 5.9292 5.9292 6.5116 6.5116 6.5116 6.5116 8.6513 8.6513 8.6513 8.6513 8.7824 8.7824 8.7824 8.7824 9.7301 9.7301 9.7301 9.7301 10.7322 10.7322 10.7322 10.7322 k = 0.2857 0.2716 0.2552 ( 7824 PWs) bands (ev): -2.8034 -2.8034 -2.8034 -2.8034 -2.4863 -2.4863 -2.4863 -2.4863 3.9046 3.9046 3.9046 3.9046 4.1414 4.1414 4.1414 4.1414 5.2758 5.2758 5.2758 5.2758 5.7427 5.7427 5.7427 5.7427 5.9376 5.9376 5.9376 5.9376 6.5429 6.5429 6.5429 6.5429 8.6668 8.6668 8.6668 8.6668 8.8011 8.8011 8.8011 8.8011 9.6666 9.6666 9.6666 9.6666 10.7112 10.7112 10.7112 10.7112 k = 0.2738 0.2716 0.2552 ( 7820 PWs) bands (ev): -2.8334 -2.8334 -2.8334 -2.8334 -2.5067 -2.5067 -2.5067 -2.5067 3.9525 3.9525 3.9525 3.9525 4.1669 4.1669 4.1669 4.1669 5.2691 5.2691 5.2691 5.2691 5.7600 5.7600 5.7600 5.7600 5.9524 5.9524 5.9524 5.9524 6.5757 6.5757 6.5757 6.5757 8.6842 8.6842 8.6842 8.6842 8.8183 8.8183 8.8183 8.8183 9.6068 9.6068 9.6068 9.6068 10.6850 10.6850 10.6850 10.6850 k = 0.2619 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.8630 -2.8630 -2.8630 -2.8630 -2.5275 -2.5275 -2.5275 -2.5275 3.9991 3.9991 3.9991 3.9991 4.1885 4.1885 4.1885 4.1885 5.2597 5.2597 5.2597 5.2597 5.7806 5.7806 5.7806 5.7806 5.9753 5.9753 5.9753 5.9753 6.6097 6.6097 6.6097 6.6097 8.7034 8.7034 8.7034 8.7034 8.8330 8.8330 8.8330 8.8330 9.5519 9.5519 9.5519 9.5519 10.6540 10.6540 10.6540 10.6540 k = 0.2500 0.2716 0.2552 ( 7832 PWs) bands (ev): -2.8920 -2.8920 -2.8920 -2.8920 -2.5485 -2.5485 -2.5485 -2.5485 4.0431 4.0431 4.0431 4.0431 4.2067 4.2067 4.2067 4.2067 5.2478 5.2478 5.2478 5.2478 5.8028 5.8028 5.8028 5.8028 6.0082 6.0082 6.0082 6.0082 6.6443 6.6443 6.6443 6.6443 8.7243 8.7243 8.7243 8.7243 8.8442 8.8442 8.8442 8.8442 9.5037 9.5037 9.5037 9.5037 10.6189 10.6189 10.6189 10.6189 k = 0.2381 0.2716 0.2552 ( 7824 PWs) bands (ev): -2.9204 -2.9204 -2.9204 -2.9204 -2.5694 -2.5694 -2.5694 -2.5694 4.0833 4.0833 4.0833 4.0833 4.2227 4.2227 4.2227 4.2227 5.2340 5.2340 5.2340 5.2340 5.8258 5.8258 5.8258 5.8258 6.0516 6.0516 6.0516 6.0516 6.6793 6.6793 6.6793 6.6793 8.7464 8.7464 8.7464 8.7464 8.8504 8.8504 8.8504 8.8504 9.4639 9.4639 9.4639 9.4639 10.5803 10.5803 10.5803 10.5803 k = 0.2262 0.2716 0.2552 ( 7824 PWs) bands (ev): -2.9480 -2.9480 -2.9480 -2.9480 -2.5903 -2.5903 -2.5903 -2.5903 4.1180 4.1180 4.1180 4.1180 4.2377 4.2377 4.2377 4.2377 5.2189 5.2189 5.2189 5.2189 5.8497 5.8497 5.8497 5.8497 6.1048 6.1048 6.1048 6.1048 6.7143 6.7143 6.7143 6.7143 8.7684 8.7684 8.7684 8.7684 8.8513 8.8513 8.8513 8.8513 9.4343 9.4343 9.4343 9.4343 10.5392 10.5392 10.5392 10.5392 k = 0.2143 0.2716 0.2552 ( 7812 PWs) bands (ev): -2.9748 -2.9748 -2.9748 -2.9748 -2.6109 -2.6109 -2.6109 -2.6109 4.1450 4.1450 4.1450 4.1450 4.2538 4.2538 4.2538 4.2538 5.2032 5.2032 5.2032 5.2032 5.8752 5.8752 5.8752 5.8752 6.1661 6.1661 6.1661 6.1661 6.7491 6.7491 6.7491 6.7491 8.7854 8.7854 8.7854 8.7854 8.8505 8.8505 8.8505 8.8505 9.4162 9.4162 9.4162 9.4162 10.4963 10.4963 10.4963 10.4963 k = 0.2024 0.2716 0.2552 ( 7800 PWs) bands (ev): -3.0005 -3.0005 -3.0005 -3.0005 -2.6312 -2.6312 -2.6312 -2.6312 4.1631 4.1631 4.1631 4.1631 4.2723 4.2723 4.2723 4.2723 5.1872 5.1872 5.1872 5.1872 5.9034 5.9034 5.9034 5.9034 6.2334 6.2334 6.2334 6.2334 6.7835 6.7835 6.7835 6.7835 8.7855 8.7855 8.7855 8.7855 8.8592 8.8592 8.8592 8.8592 9.4098 9.4098 9.4098 9.4098 10.4526 10.4526 10.4526 10.4526 k = 0.1905 0.2716 0.2552 ( 7800 PWs) bands (ev): -3.0253 -3.0253 -3.0253 -3.0253 -2.6509 -2.6509 -2.6509 -2.6509 4.1730 4.1730 4.1730 4.1730 4.2926 4.2926 4.2926 4.2926 5.1714 5.1714 5.1714 5.1714 5.9350 5.9350 5.9350 5.9350 6.3048 6.3048 6.3048 6.3048 6.8177 6.8177 6.8177 6.8177 8.7651 8.7651 8.7651 8.7651 8.8815 8.8815 8.8815 8.8815 9.4143 9.4143 9.4143 9.4143 10.4089 10.4089 10.4089 10.4089 k = 0.1786 0.2716 0.2552 ( 7776 PWs) bands (ev): -3.0489 -3.0489 -3.0489 -3.0489 -2.6700 -2.6700 -2.6700 -2.6700 4.1766 4.1766 4.1766 4.1766 4.3130 4.3130 4.3130 4.3130 5.1561 5.1561 5.1561 5.1561 5.9705 5.9705 5.9705 5.9705 6.3783 6.3783 6.3783 6.3783 6.8519 6.8519 6.8519 6.8519 8.7328 8.7328 8.7328 8.7328 8.9098 8.9098 8.9098 8.9098 9.4282 9.4282 9.4282 9.4282 10.3664 10.3664 10.3664 10.3664 k = 0.1667 0.2716 0.2552 ( 7788 PWs) bands (ev): -3.0713 -3.0713 -3.0713 -3.0713 -2.6883 -2.6883 -2.6883 -2.6883 4.1759 4.1759 4.1759 4.1759 4.3319 4.3319 4.3319 4.3319 5.1416 5.1416 5.1416 5.1416 6.0099 6.0099 6.0099 6.0099 6.4518 6.4518 6.4518 6.4518 6.8867 6.8867 6.8867 6.8867 8.6937 8.6937 8.6937 8.6937 8.9401 8.9401 8.9401 8.9401 9.4496 9.4496 9.4496 9.4496 10.3259 10.3259 10.3259 10.3259 k = 0.1548 0.2716 0.2552 ( 7792 PWs) bands (ev): -3.0924 -3.0924 -3.0924 -3.0924 -2.7058 -2.7058 -2.7058 -2.7058 4.1724 4.1724 4.1724 4.1724 4.3484 4.3484 4.3484 4.3484 5.1278 5.1278 5.1278 5.1278 6.0531 6.0531 6.0531 6.0531 6.5230 6.5230 6.5230 6.5230 6.9228 6.9228 6.9228 6.9228 8.6503 8.6503 8.6503 8.6503 8.9707 8.9707 8.9707 8.9707 9.4767 9.4767 9.4767 9.4767 10.2887 10.2887 10.2887 10.2887 k = 0.1429 0.2716 0.2552 ( 7800 PWs) bands (ev): -3.1123 -3.1123 -3.1123 -3.1123 -2.7224 -2.7224 -2.7224 -2.7224 4.1671 4.1671 4.1671 4.1671 4.3620 4.3620 4.3620 4.3620 5.1151 5.1151 5.1151 5.1151 6.0997 6.0997 6.0997 6.0997 6.5897 6.5897 6.5897 6.5897 6.9617 6.9617 6.9617 6.9617 8.6044 8.6044 8.6044 8.6044 9.0001 9.0001 9.0001 9.0001 9.5081 9.5081 9.5081 9.5081 10.2560 10.2560 10.2560 10.2560 k = 0.1310 0.2716 0.2552 ( 7796 PWs) bands (ev): -3.1307 -3.1307 -3.1307 -3.1307 -2.7380 -2.7380 -2.7380 -2.7380 4.1607 4.1607 4.1607 4.1607 4.3729 4.3729 4.3729 4.3729 5.1033 5.1033 5.1033 5.1033 6.1491 6.1491 6.1491 6.1491 6.6491 6.6491 6.6491 6.6491 7.0048 7.0048 7.0048 7.0048 8.5570 8.5570 8.5570 8.5570 9.0273 9.0273 9.0273 9.0273 9.5424 9.5424 9.5424 9.5424 10.2288 10.2288 10.2288 10.2288 k = 0.1190 0.2716 0.2552 ( 7780 PWs) bands (ev): -3.1477 -3.1477 -3.1477 -3.1477 -2.7524 -2.7524 -2.7524 -2.7524 4.1536 4.1536 4.1536 4.1536 4.3811 4.3811 4.3811 4.3811 5.0927 5.0927 5.0927 5.0927 6.2006 6.2006 6.2006 6.2006 6.6992 6.6992 6.6992 6.6992 7.0531 7.0531 7.0531 7.0531 8.5089 8.5089 8.5089 8.5089 9.0512 9.0512 9.0512 9.0512 9.5788 9.5788 9.5788 9.5788 10.2084 10.2084 10.2084 10.2084 k = 0.1071 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.1632 -3.1632 -3.1632 -3.1632 -2.7657 -2.7657 -2.7657 -2.7657 4.1462 4.1462 4.1462 4.1462 4.3872 4.3872 4.3872 4.3872 5.0831 5.0831 5.0831 5.0831 6.2533 6.2533 6.2533 6.2533 6.7390 6.7390 6.7390 6.7390 7.1070 7.1070 7.1070 7.1070 8.4608 8.4608 8.4608 8.4608 9.0709 9.0709 9.0709 9.0709 9.6161 9.6161 9.6161 9.6161 10.1956 10.1956 10.1956 10.1956 k = 0.0952 0.2716 0.2552 ( 7768 PWs) bands (ev): -3.1772 -3.1772 -3.1772 -3.1772 -2.7778 -2.7778 -2.7778 -2.7778 4.1389 4.1389 4.1389 4.1389 4.3913 4.3913 4.3913 4.3913 5.0745 5.0745 5.0745 5.0745 6.3062 6.3062 6.3062 6.3062 6.7684 6.7684 6.7684 6.7684 7.1652 7.1652 7.1652 7.1652 8.4132 8.4132 8.4132 8.4132 9.0859 9.0859 9.0859 9.0859 9.6536 9.6536 9.6536 9.6536 10.1907 10.1907 10.1907 10.1907 k = 0.0833 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.1896 -3.1896 -3.1896 -3.1896 -2.7886 -2.7886 -2.7886 -2.7886 4.1320 4.1320 4.1320 4.1320 4.3940 4.3940 4.3940 4.3940 5.0670 5.0670 5.0670 5.0670 6.3585 6.3585 6.3585 6.3585 6.7888 6.7888 6.7888 6.7888 7.2259 7.2259 7.2259 7.2259 8.3665 8.3665 8.3665 8.3665 9.0960 9.0960 9.0960 9.0960 9.6903 9.6903 9.6903 9.6903 10.1937 10.1937 10.1937 10.1937 k = 0.0714 0.2716 0.2552 ( 7760 PWs) bands (ev): -3.2004 -3.2004 -3.2004 -3.2004 -2.7980 -2.7980 -2.7980 -2.7980 4.1256 4.1256 4.1256 4.1256 4.3955 4.3955 4.3955 4.3955 5.0606 5.0606 5.0606 5.0606 6.4090 6.4090 6.4090 6.4090 6.8014 6.8014 6.8014 6.8014 7.2865 7.2865 7.2865 7.2865 8.3213 8.3213 8.3213 8.3213 9.1016 9.1016 9.1016 9.1016 9.7253 9.7253 9.7253 9.7253 10.2036 10.2036 10.2036 10.2036 k = 0.0595 0.2716 0.2552 ( 7756 PWs) bands (ev): -3.2096 -3.2096 -3.2096 -3.2096 -2.8061 -2.8061 -2.8061 -2.8061 4.1198 4.1198 4.1198 4.1198 4.3962 4.3962 4.3962 4.3962 5.0552 5.0552 5.0552 5.0552 6.4566 6.4566 6.4566 6.4566 6.8077 6.8077 6.8077 6.8077 7.3448 7.3448 7.3448 7.3448 8.2785 8.2785 8.2785 8.2785 9.1035 9.1035 9.1035 9.1035 9.7575 9.7575 9.7575 9.7575 10.2190 10.2190 10.2190 10.2190 k = 0.0476 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.2172 -3.2172 -3.2172 -3.2172 -2.8127 -2.8127 -2.8127 -2.8127 4.1150 4.1150 4.1150 4.1150 4.3964 4.3964 4.3964 4.3964 5.0508 5.0508 5.0508 5.0508 6.5000 6.5000 6.5000 6.5000 6.8088 6.8088 6.8088 6.8088 7.3983 7.3983 7.3983 7.3983 8.2391 8.2391 8.2391 8.2391 9.1029 9.1029 9.1029 9.1029 9.7860 9.7860 9.7860 9.7860 10.2377 10.2377 10.2377 10.2377 k = 0.0357 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.2231 -3.2231 -3.2231 -3.2231 -2.8179 -2.8179 -2.8179 -2.8179 4.1111 4.1111 4.1111 4.1111 4.3963 4.3963 4.3963 4.3963 5.0473 5.0473 5.0473 5.0473 6.5377 6.5377 6.5377 6.5377 6.8061 6.8061 6.8061 6.8061 7.4445 7.4445 7.4445 7.4445 8.2047 8.2047 8.2047 8.2047 9.1008 9.1008 9.1008 9.1008 9.8095 9.8095 9.8095 9.8095 10.2570 10.2570 10.2570 10.2570 k = 0.0238 0.2716 0.2552 ( 7768 PWs) bands (ev): -3.2273 -3.2273 -3.2273 -3.2273 -2.8217 -2.8217 -2.8217 -2.8217 4.1082 4.1082 4.1082 4.1082 4.3961 4.3961 4.3961 4.3961 5.0449 5.0449 5.0449 5.0449 6.5678 6.5678 6.5678 6.5678 6.8014 6.8014 6.8014 6.8014 7.4807 7.4807 7.4807 7.4807 8.1775 8.1775 8.1775 8.1775 9.0984 9.0984 9.0984 9.0984 9.8272 9.8272 9.8272 9.8272 10.2740 10.2740 10.2740 10.2740 k = 0.0119 0.2716 0.2552 ( 7760 PWs) bands (ev): -3.2299 -3.2299 -3.2299 -3.2299 -2.8239 -2.8239 -2.8239 -2.8239 4.1065 4.1065 4.1065 4.1065 4.3959 4.3959 4.3959 4.3959 5.0435 5.0435 5.0435 5.0435 6.5876 6.5876 6.5876 6.5876 6.7969 6.7969 6.7969 6.7969 7.5039 7.5039 7.5039 7.5039 8.1597 8.1597 8.1597 8.1597 9.0966 9.0966 9.0966 9.0966 9.8382 9.8382 9.8382 9.8382 10.2857 10.2857 10.2857 10.2857 k = 0.0000 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.2307 -3.2307 -3.2307 -3.2307 -2.8246 -2.8246 -2.8246 -2.8246 4.1059 4.1059 4.1059 4.1059 4.3958 4.3958 4.3958 4.3958 5.0430 5.0430 5.0430 5.0430 6.5946 6.5946 6.5946 6.5946 6.7950 6.7950 6.7950 6.7950 7.5120 7.5120 7.5120 7.5120 8.1535 8.1535 8.1535 8.1535 9.0960 9.0960 9.0960 9.0960 9.8420 9.8420 9.8420 9.8420 10.2899 10.2899 10.2899 10.2899 k = 0.0000 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.2307 -3.2307 -3.2307 -3.2307 -2.8246 -2.8246 -2.8246 -2.8246 4.1059 4.1059 4.1059 4.1059 4.3958 4.3958 4.3958 4.3958 5.0430 5.0430 5.0430 5.0430 6.5946 6.5946 6.5946 6.5946 6.7950 6.7950 6.7950 6.7950 7.5120 7.5120 7.5120 7.5120 8.1535 8.1535 8.1535 8.1535 9.0960 9.0960 9.0960 9.0960 9.8420 9.8420 9.8420 9.8420 10.2899 10.2899 10.2899 10.2899 k = 0.0000 0.2598 0.2552 ( 7760 PWs) bands (ev): -3.2326 -3.2326 -3.2326 -3.2326 -2.8224 -2.8224 -2.8224 -2.8224 4.1004 4.1004 4.1004 4.1004 4.3958 4.3958 4.3958 4.3958 5.0485 5.0485 5.0485 5.0485 6.5944 6.5944 6.5944 6.5944 6.7945 6.7945 6.7945 6.7945 7.5121 7.5121 7.5121 7.5121 8.1542 8.1542 8.1542 8.1542 9.0988 9.0988 9.0988 9.0988 9.8428 9.8428 9.8428 9.8428 10.2889 10.2889 10.2889 10.2889 k = 0.0000 0.2480 0.2552 ( 7766 PWs) bands (ev): -3.2382 -3.2382 -3.2382 -3.2382 -2.8158 -2.8158 -2.8158 -2.8158 4.0845 4.0845 4.0845 4.0845 4.3957 4.3957 4.3957 4.3957 5.0646 5.0646 5.0646 5.0646 6.5938 6.5938 6.5938 6.5938 6.7929 6.7929 6.7929 6.7929 7.5125 7.5125 7.5125 7.5125 8.1563 8.1563 8.1563 8.1563 9.1074 9.1074 9.1074 9.1074 9.8452 9.8452 9.8452 9.8452 10.2862 10.2862 10.2862 10.2862 k = 0.0000 0.2362 0.2552 ( 7766 PWs) bands (ev): -3.2471 -3.2471 -3.2471 -3.2471 -2.8052 -2.8052 -2.8052 -2.8052 4.0595 4.0595 4.0595 4.0595 4.3952 4.3952 4.3952 4.3952 5.0900 5.0900 5.0900 5.0900 6.5931 6.5931 6.5931 6.5931 6.7904 6.7904 6.7904 6.7904 7.5132 7.5132 7.5132 7.5132 8.1598 8.1598 8.1598 8.1598 9.1215 9.1215 9.1215 9.1215 9.8493 9.8493 9.8493 9.8493 10.2813 10.2813 10.2813 10.2813 k = 0.0000 0.2244 0.2552 ( 7770 PWs) bands (ev): -3.2586 -3.2586 -3.2586 -3.2586 -2.7914 -2.7914 -2.7914 -2.7914 4.0273 4.0273 4.0273 4.0273 4.3941 4.3941 4.3941 4.3941 5.1230 5.1230 5.1230 5.1230 6.5923 6.5923 6.5923 6.5923 6.7871 6.7871 6.7871 6.7871 7.5140 7.5140 7.5140 7.5140 8.1646 8.1646 8.1646 8.1646 9.1406 9.1406 9.1406 9.1406 9.8550 9.8550 9.8550 9.8550 10.2741 10.2741 10.2741 10.2741 k = 0.0000 0.2126 0.2552 ( 7772 PWs) bands (ev): -3.2721 -3.2721 -3.2721 -3.2721 -2.7749 -2.7749 -2.7749 -2.7749 3.9898 3.9898 3.9898 3.9898 4.3923 4.3923 4.3923 4.3923 5.1618 5.1618 5.1618 5.1618 6.5919 6.5919 6.5919 6.5919 6.7830 6.7830 6.7830 6.7830 7.5151 7.5151 7.5151 7.5151 8.1706 8.1706 8.1706 8.1706 9.1643 9.1643 9.1643 9.1643 9.8624 9.8624 9.8624 9.8624 10.2643 10.2643 10.2643 10.2643 k = 0.0000 0.2008 0.2552 ( 7772 PWs) bands (ev): -3.2871 -3.2871 -3.2871 -3.2871 -2.7565 -2.7565 -2.7565 -2.7565 3.9487 3.9487 3.9487 3.9487 4.3898 4.3898 4.3898 4.3898 5.2044 5.2044 5.2044 5.2044 6.5920 6.5920 6.5920 6.5920 6.7783 6.7783 6.7783 6.7783 7.5164 7.5164 7.5164 7.5164 8.1778 8.1778 8.1778 8.1778 9.1920 9.1920 9.1920 9.1920 9.8713 9.8713 9.8713 9.8713 10.2515 10.2515 10.2515 10.2515 k = 0.0000 0.1890 0.2552 ( 7776 PWs) bands (ev): -3.3029 -3.3029 -3.3029 -3.3029 -2.7367 -2.7367 -2.7367 -2.7367 3.9053 3.9053 3.9053 3.9053 4.3865 4.3865 4.3865 4.3865 5.2493 5.2493 5.2493 5.2493 6.5930 6.5930 6.5930 6.5930 6.7733 6.7733 6.7733 6.7733 7.5178 7.5178 7.5178 7.5178 8.1860 8.1860 8.1860 8.1860 9.2229 9.2229 9.2229 9.2229 9.8819 9.8819 9.8819 9.8819 10.2354 10.2354 10.2354 10.2354 k = 0.0000 0.1772 0.2552 ( 7792 PWs) bands (ev): -3.3192 -3.3192 -3.3192 -3.3192 -2.7160 -2.7160 -2.7160 -2.7160 3.8609 3.8609 3.8609 3.8609 4.3828 4.3828 4.3828 4.3828 5.2949 5.2949 5.2949 5.2949 6.5953 6.5953 6.5953 6.5953 6.7682 6.7682 6.7682 6.7682 7.5193 7.5193 7.5193 7.5193 8.1950 8.1950 8.1950 8.1950 9.2560 9.2560 9.2560 9.2560 9.8940 9.8940 9.8940 9.8940 10.2162 10.2162 10.2162 10.2162 k = 0.0000 0.1654 0.2552 ( 7784 PWs) bands (ev): -3.3356 -3.3356 -3.3356 -3.3356 -2.6950 -2.6950 -2.6950 -2.6950 3.8163 3.8163 3.8163 3.8163 4.3785 4.3785 4.3785 4.3785 5.3401 5.3401 5.3401 5.3401 6.5989 6.5989 6.5989 6.5989 6.7634 6.7634 6.7634 6.7634 7.5210 7.5210 7.5210 7.5210 8.2047 8.2047 8.2047 8.2047 9.2906 9.2906 9.2906 9.2906 9.9075 9.9075 9.9075 9.9075 10.1941 10.1941 10.1941 10.1941 k = 0.0000 0.1535 0.2552 ( 7780 PWs) bands (ev): -3.3517 -3.3517 -3.3517 -3.3517 -2.6739 -2.6739 -2.6739 -2.6739 3.7724 3.7724 3.7724 3.7724 4.3739 4.3739 4.3739 4.3739 5.3836 5.3836 5.3836 5.3836 6.6041 6.6041 6.6041 6.6041 6.7594 6.7594 6.7594 6.7594 7.5228 7.5228 7.5228 7.5228 8.2146 8.2146 8.2146 8.2146 9.3253 9.3253 9.3253 9.3253 9.9222 9.9222 9.9222 9.9222 10.1698 10.1698 10.1698 10.1698 k = 0.0000 0.1417 0.2552 ( 7776 PWs) bands (ev): -3.3673 -3.3673 -3.3673 -3.3673 -2.6531 -2.6531 -2.6531 -2.6531 3.7298 3.7298 3.7298 3.7298 4.3691 4.3691 4.3691 4.3691 5.4247 5.4247 5.4247 5.4247 6.6104 6.6104 6.6104 6.6104 6.7567 6.7567 6.7567 6.7567 7.5246 7.5246 7.5246 7.5246 8.2247 8.2247 8.2247 8.2247 9.3589 9.3589 9.3589 9.3589 9.9379 9.9379 9.9379 9.9379 10.1445 10.1445 10.1445 10.1445 k = 0.0000 0.1299 0.2552 ( 7774 PWs) bands (ev): -3.3823 -3.3823 -3.3823 -3.3823 -2.6330 -2.6330 -2.6330 -2.6330 3.6890 3.6890 3.6890 3.6890 4.3641 4.3641 4.3641 4.3641 5.4626 5.4626 5.4626 5.4626 6.6175 6.6175 6.6175 6.6175 6.7560 6.7560 6.7560 6.7560 7.5265 7.5265 7.5265 7.5265 8.2346 8.2346 8.2346 8.2346 9.3901 9.3901 9.3901 9.3901 9.9543 9.9543 9.9543 9.9543 10.1198 10.1198 10.1198 10.1198 k = 0.0000 0.1181 0.2552 ( 7776 PWs) bands (ev): -3.3964 -3.3964 -3.3964 -3.3964 -2.6137 -2.6137 -2.6137 -2.6137 3.6505 3.6505 3.6505 3.6505 4.3592 4.3592 4.3592 4.3592 5.4968 5.4968 5.4968 5.4968 6.6246 6.6246 6.6246 6.6246 6.7582 6.7582 6.7582 6.7582 7.5284 7.5284 7.5284 7.5284 8.2440 8.2440 8.2440 8.2440 9.4172 9.4172 9.4172 9.4172 9.9710 9.9710 9.9710 9.9710 10.0977 10.0977 10.0977 10.0977 k = 0.0000 0.1063 0.2552 ( 7768 PWs) bands (ev): -3.4094 -3.4094 -3.4094 -3.4094 -2.5956 -2.5956 -2.5956 -2.5956 3.6146 3.6146 3.6146 3.6146 4.3544 4.3544 4.3544 4.3544 5.5270 5.5270 5.5270 5.5270 6.6307 6.6307 6.6307 6.6307 6.7641 6.7641 6.7641 6.7641 7.5304 7.5304 7.5304 7.5304 8.2526 8.2526 8.2526 8.2526 9.4389 9.4389 9.4389 9.4389 9.9876 9.9876 9.9876 9.9876 10.0802 10.0802 10.0802 10.0802 k = 0.0000 0.0945 0.2552 ( 7768 PWs) bands (ev): -3.4214 -3.4214 -3.4214 -3.4214 -2.5788 -2.5788 -2.5788 -2.5788 3.5816 3.5816 3.5816 3.5816 4.3498 4.3498 4.3498 4.3498 5.5532 5.5532 5.5532 5.5532 6.6350 6.6350 6.6350 6.6350 6.7739 6.7739 6.7739 6.7739 7.5325 7.5325 7.5325 7.5325 8.2604 8.2604 8.2604 8.2604 9.4540 9.4540 9.4540 9.4540 10.0034 10.0034 10.0034 10.0034 10.0691 10.0691 10.0691 10.0691 k = 0.0000 0.0827 0.2552 ( 7758 PWs) bands (ev): -3.4322 -3.4322 -3.4322 -3.4322 -2.5635 -2.5635 -2.5635 -2.5635 3.5520 3.5520 3.5520 3.5520 4.3456 4.3456 4.3456 4.3456 5.5753 5.5753 5.5753 5.5753 6.6374 6.6374 6.6374 6.6374 6.7871 6.7871 6.7871 6.7871 7.5346 7.5346 7.5346 7.5346 8.2670 8.2670 8.2670 8.2670 9.4623 9.4623 9.4623 9.4623 10.0176 10.0176 10.0176 10.0176 10.0653 10.0653 10.0653 10.0653 k = 0.0000 0.0709 0.2552 ( 7756 PWs) bands (ev): -3.4416 -3.4416 -3.4416 -3.4416 -2.5500 -2.5500 -2.5500 -2.5500 3.5257 3.5257 3.5257 3.5257 4.3417 4.3417 4.3417 4.3417 5.5936 5.5936 5.5936 5.5936 6.6382 6.6382 6.6382 6.6382 6.8026 6.8026 6.8026 6.8026 7.5366 7.5366 7.5366 7.5366 8.2724 8.2724 8.2724 8.2724 9.4642 9.4642 9.4642 9.4642 10.0300 10.0300 10.0300 10.0300 10.0686 10.0686 10.0686 10.0686 k = 0.0000 0.0591 0.2552 ( 7760 PWs) bands (ev): -3.4497 -3.4497 -3.4497 -3.4497 -2.5382 -2.5382 -2.5382 -2.5382 3.5032 3.5032 3.5032 3.5032 4.3383 4.3383 4.3383 4.3383 5.6084 5.6084 5.6084 5.6084 6.6379 6.6379 6.6379 6.6379 6.8190 6.8190 6.8190 6.8190 7.5386 7.5386 7.5386 7.5386 8.2767 8.2767 8.2767 8.2767 9.4611 9.4611 9.4611 9.4611 10.0412 10.0412 10.0412 10.0412 10.0766 10.0766 10.0766 10.0766 k = 0.0000 0.0472 0.2552 ( 7764 PWs) bands (ev): -3.4564 -3.4564 -3.4564 -3.4564 -2.5284 -2.5284 -2.5284 -2.5284 3.4846 3.4846 3.4846 3.4846 4.3354 4.3354 4.3354 4.3354 5.6200 5.6200 5.6200 5.6200 6.6371 6.6371 6.6371 6.6371 6.8347 6.8347 6.8347 6.8347 7.5405 7.5405 7.5405 7.5405 8.2798 8.2798 8.2798 8.2798 9.4551 9.4551 9.4551 9.4551 10.0516 10.0516 10.0516 10.0516 10.0864 10.0864 10.0864 10.0864 k = 0.0000 0.0354 0.2552 ( 7774 PWs) bands (ev): -3.4617 -3.4617 -3.4617 -3.4617 -2.5207 -2.5207 -2.5207 -2.5207 3.4699 3.4699 3.4699 3.4699 4.3331 4.3331 4.3331 4.3331 5.6286 5.6286 5.6286 5.6286 6.6360 6.6360 6.6360 6.6360 6.8485 6.8485 6.8485 6.8485 7.5421 7.5421 7.5421 7.5421 8.2819 8.2819 8.2819 8.2819 9.4481 9.4481 9.4481 9.4481 10.0610 10.0610 10.0610 10.0610 10.0958 10.0958 10.0958 10.0958 k = 0.0000 0.0236 0.2552 ( 7780 PWs) bands (ev): -3.4655 -3.4655 -3.4655 -3.4655 -2.5151 -2.5151 -2.5151 -2.5151 3.4594 3.4594 3.4594 3.4594 4.3315 4.3315 4.3315 4.3315 5.6345 5.6345 5.6345 5.6345 6.6351 6.6351 6.6351 6.6351 6.8592 6.8592 6.8592 6.8592 7.5434 7.5434 7.5434 7.5434 8.2833 8.2833 8.2833 8.2833 9.4418 9.4418 9.4418 9.4418 10.0685 10.0685 10.0685 10.0685 10.1035 10.1035 10.1035 10.1035 k = 0.0000 0.0118 0.2552 ( 7790 PWs) bands (ev): -3.4677 -3.4677 -3.4677 -3.4677 -2.5118 -2.5118 -2.5118 -2.5118 3.4530 3.4530 3.4530 3.4530 4.3304 4.3304 4.3304 4.3304 5.6380 5.6380 5.6380 5.6380 6.6345 6.6345 6.6345 6.6345 6.8659 6.8659 6.8659 6.8659 7.5442 7.5442 7.5442 7.5442 8.2840 8.2840 8.2840 8.2840 9.4375 9.4375 9.4375 9.4375 10.0734 10.0734 10.0734 10.0734 10.1085 10.1085 10.1085 10.1085 k = 0.0000 0.0000 0.2552 ( 7800 PWs) bands (ev): -3.4685 -3.4685 -3.4685 -3.4685 -2.5107 -2.5107 -2.5107 -2.5107 3.4509 3.4509 3.4509 3.4509 4.3301 4.3301 4.3301 4.3301 5.6391 5.6391 5.6391 5.6391 6.6342 6.6342 6.6342 6.6342 6.8682 6.8682 6.8682 6.8682 7.5445 7.5445 7.5445 7.5445 8.2842 8.2842 8.2842 8.2842 9.4360 9.4360 9.4360 9.4360 10.0750 10.0750 10.0750 10.0750 10.1103 10.1103 10.1103 10.1103 k = 0.0000 0.2716-0.0000 ( 7810 PWs) bands (ev): -3.4226 -3.4226 -3.4226 -3.4226 -2.5725 -2.5725 -2.5725 -2.5725 3.3910 3.3910 3.3910 3.3910 5.0702 5.0702 5.0702 5.0702 5.2744 5.2744 5.2744 5.2744 6.4135 6.4135 6.4135 6.4135 6.6659 6.6659 6.6659 6.6659 7.7728 7.7728 7.7728 7.7728 7.9196 7.9196 7.9196 7.9196 8.9087 8.9087 8.9087 8.9087 9.6554 9.6554 9.6554 9.6554 10.2757 10.2757 10.2757 10.2757 k = 0.0000 0.2716 0.0116 ( 7814 PWs) bands (ev): -3.4219 -3.4219 -3.4219 -3.4219 -2.5735 -2.5735 -2.5735 -2.5735 3.3933 3.3933 3.3933 3.3933 5.0564 5.0564 5.0564 5.0564 5.2882 5.2882 5.2882 5.2882 6.4097 6.4097 6.4097 6.4097 6.6662 6.6662 6.6662 6.6662 7.7708 7.7708 7.7708 7.7708 7.9237 7.9237 7.9237 7.9237 8.9092 8.9092 8.9092 8.9092 9.6561 9.6561 9.6561 9.6561 10.2754 10.2754 10.2754 10.2754 k = 0.0000 0.2716 0.0232 ( 7824 PWs) bands (ev): -3.4198 -3.4198 -3.4198 -3.4198 -2.5765 -2.5765 -2.5765 -2.5765 3.4004 3.4004 3.4004 3.4004 5.0227 5.0227 5.0227 5.0227 5.3216 5.3216 5.3216 5.3216 6.3987 6.3987 6.3987 6.3987 6.6670 6.6670 6.6670 6.6670 7.7651 7.7651 7.7651 7.7651 7.9357 7.9357 7.9357 7.9357 8.9109 8.9109 8.9109 8.9109 9.6583 9.6583 9.6583 9.6583 10.2745 10.2745 10.2745 10.2745 k = 0.0000 0.2716 0.0348 ( 7810 PWs) bands (ev): -3.4163 -3.4163 -3.4163 -3.4163 -2.5815 -2.5815 -2.5815 -2.5815 3.4122 3.4122 3.4122 3.4122 4.9801 4.9801 4.9801 4.9801 5.3631 5.3631 5.3631 5.3631 6.3813 6.3813 6.3813 6.3813 6.6687 6.6687 6.6687 6.6687 7.7564 7.7564 7.7564 7.7564 7.9540 7.9540 7.9540 7.9540 8.9137 8.9137 8.9137 8.9137 9.6621 9.6621 9.6621 9.6621 10.2733 10.2733 10.2733 10.2733 k = 0.0000 0.2716 0.0464 ( 7810 PWs) bands (ev): -3.4115 -3.4115 -3.4115 -3.4115 -2.5885 -2.5885 -2.5885 -2.5885 3.4286 3.4286 3.4286 3.4286 4.9343 4.9343 4.9343 4.9343 5.4063 5.4063 5.4063 5.4063 6.3591 6.3591 6.3591 6.3591 6.6713 6.6713 6.6713 6.6713 7.7455 7.7455 7.7455 7.7455 7.9772 7.9772 7.9772 7.9772 8.9174 8.9174 8.9174 8.9174 9.6672 9.6672 9.6672 9.6672 10.2717 10.2717 10.2717 10.2717 k = 0.0000 0.2716 0.0580 ( 7802 PWs) bands (ev): -3.4054 -3.4054 -3.4054 -3.4054 -2.5972 -2.5972 -2.5972 -2.5972 3.4494 3.4494 3.4494 3.4494 4.8878 4.8878 4.8878 4.8878 5.4471 5.4471 5.4471 5.4471 6.3342 6.3342 6.3342 6.3342 6.6751 6.6751 6.6751 6.6751 7.7328 7.7328 7.7328 7.7328 8.0036 8.0036 8.0036 8.0036 8.9221 8.9221 8.9221 8.9221 9.6737 9.6737 9.6737 9.6737 10.2701 10.2701 10.2701 10.2701 k = 0.0000 0.2716 0.0696 ( 7792 PWs) bands (ev): -3.3980 -3.3980 -3.3980 -3.3980 -2.6077 -2.6077 -2.6077 -2.6077 3.4746 3.4746 3.4746 3.4746 4.8418 4.8418 4.8418 4.8418 5.4825 5.4825 5.4825 5.4825 6.3095 6.3095 6.3095 6.3095 6.6802 6.6802 6.6802 6.6802 7.7187 7.7187 7.7187 7.7187 8.0317 8.0317 8.0317 8.0317 8.9276 8.9276 8.9276 8.9276 9.6816 9.6816 9.6816 9.6816 10.2686 10.2686 10.2686 10.2686 k = 0.0000 0.2716 0.0812 ( 7792 PWs) bands (ev): -3.3894 -3.3894 -3.3894 -3.3894 -2.6199 -2.6199 -2.6199 -2.6199 3.5040 3.5040 3.5040 3.5040 4.7970 4.7970 4.7970 4.7970 5.5095 5.5095 5.5095 5.5095 6.2885 6.2885 6.2885 6.2885 6.6863 6.6863 6.6863 6.6863 7.7032 7.7032 7.7032 7.7032 8.0603 8.0603 8.0603 8.0603 8.9339 8.9339 8.9339 8.9339 9.6907 9.6907 9.6907 9.6907 10.2675 10.2675 10.2675 10.2675 k = 0.0000 0.2716 0.0928 ( 7792 PWs) bands (ev): -3.3796 -3.3796 -3.3796 -3.3796 -2.6334 -2.6334 -2.6334 -2.6334 3.5373 3.5373 3.5373 3.5373 4.7539 4.7539 4.7539 4.7539 5.5250 5.5250 5.5250 5.5250 6.2745 6.2745 6.2745 6.2745 6.6936 6.6936 6.6936 6.6936 7.6867 7.6867 7.6867 7.6867 8.0881 8.0881 8.0881 8.0881 8.9411 8.9411 8.9411 8.9411 9.7010 9.7010 9.7010 9.7010 10.2668 10.2668 10.2668 10.2668 k = 0.0000 0.2716 0.1044 ( 7780 PWs) bands (ev): -3.3688 -3.3688 -3.3688 -3.3688 -2.6483 -2.6483 -2.6483 -2.6483 3.5743 3.5743 3.5743 3.5743 4.7128 4.7128 4.7128 4.7128 5.5267 5.5267 5.5267 5.5267 6.2704 6.2704 6.2704 6.2704 6.7018 6.7018 6.7018 6.7018 7.6694 7.6694 7.6694 7.6694 8.1139 8.1139 8.1139 8.1139 8.9492 8.9492 8.9492 8.9492 9.7122 9.7122 9.7122 9.7122 10.2668 10.2668 10.2668 10.2668 k = 0.0000 0.2716 0.1160 ( 7780 PWs) bands (ev): -3.3571 -3.3571 -3.3571 -3.3571 -2.6642 -2.6642 -2.6642 -2.6642 3.6147 3.6147 3.6147 3.6147 4.6738 4.6738 4.6738 4.6738 5.5139 5.5139 5.5139 5.5139 6.2777 6.2777 6.2777 6.2777 6.7108 6.7108 6.7108 6.7108 7.6516 7.6516 7.6516 7.6516 8.1366 8.1366 8.1366 8.1366 8.9584 8.9584 8.9584 8.9584 9.7244 9.7244 9.7244 9.7244 10.2674 10.2674 10.2674 10.2674 k = 0.0000 0.2716 0.1276 ( 7784 PWs) bands (ev): -3.3446 -3.3446 -3.3446 -3.3446 -2.6810 -2.6810 -2.6810 -2.6810 3.6582 3.6582 3.6582 3.6582 4.6370 4.6370 4.6370 4.6370 5.4873 5.4873 5.4873 5.4873 6.2957 6.2957 6.2957 6.2957 6.7204 6.7204 6.7204 6.7204 7.6335 7.6335 7.6335 7.6335 8.1555 8.1555 8.1555 8.1555 8.9689 8.9689 8.9689 8.9689 9.7371 9.7371 9.7371 9.7371 10.2687 10.2687 10.2687 10.2687 k = 0.0000 0.2716 0.1392 ( 7786 PWs) bands (ev): -3.3315 -3.3315 -3.3315 -3.3315 -2.6984 -2.6984 -2.6984 -2.6984 3.7044 3.7044 3.7044 3.7044 4.6026 4.6026 4.6026 4.6026 5.4494 5.4494 5.4494 5.4494 6.3226 6.3226 6.3226 6.3226 6.7304 6.7304 6.7304 6.7304 7.6156 7.6156 7.6156 7.6156 8.1700 8.1700 8.1700 8.1700 8.9808 8.9808 8.9808 8.9808 9.7504 9.7504 9.7504 9.7504 10.2705 10.2705 10.2705 10.2705 k = 0.0000 0.2716 0.1508 ( 7796 PWs) bands (ev): -3.3179 -3.3179 -3.3179 -3.3179 -2.7162 -2.7162 -2.7162 -2.7162 3.7527 3.7527 3.7527 3.7527 4.5706 4.5706 4.5706 4.5706 5.4030 5.4030 5.4030 5.4030 6.3557 6.3557 6.3557 6.3557 6.7406 6.7406 6.7406 6.7406 7.5981 7.5981 7.5981 7.5981 8.1797 8.1797 8.1797 8.1797 8.9939 8.9939 8.9939 8.9939 9.7638 9.7638 9.7638 9.7638 10.2728 10.2728 10.2728 10.2728 k = 0.0000 0.2716 0.1624 ( 7792 PWs) bands (ev): -3.3041 -3.3041 -3.3041 -3.3041 -2.7339 -2.7339 -2.7339 -2.7339 3.8025 3.8025 3.8025 3.8025 4.5409 4.5409 4.5409 4.5409 5.3513 5.3513 5.3513 5.3513 6.3924 6.3924 6.3924 6.3924 6.7506 6.7506 6.7506 6.7506 7.5814 7.5814 7.5814 7.5814 8.1848 8.1848 8.1848 8.1848 9.0083 9.0083 9.0083 9.0083 9.7771 9.7771 9.7771 9.7771 10.2753 10.2753 10.2753 10.2753 k = 0.0000 0.2716 0.1740 ( 7780 PWs) bands (ev): -3.2904 -3.2904 -3.2904 -3.2904 -2.7514 -2.7514 -2.7514 -2.7514 3.8532 3.8532 3.8532 3.8532 4.5136 4.5136 4.5136 4.5136 5.2968 5.2968 5.2968 5.2968 6.4305 6.4305 6.4305 6.4305 6.7602 6.7602 6.7602 6.7602 7.5660 7.5660 7.5660 7.5660 8.1857 8.1857 8.1857 8.1857 9.0235 9.0235 9.0235 9.0235 9.7901 9.7901 9.7901 9.7901 10.2779 10.2779 10.2779 10.2779 k = 0.0000 0.2716 0.1856 ( 7774 PWs) bands (ev): -3.2772 -3.2772 -3.2772 -3.2772 -2.7680 -2.7680 -2.7680 -2.7680 3.9039 3.9039 3.9039 3.9039 4.4884 4.4884 4.4884 4.4884 5.2422 5.2422 5.2422 5.2422 6.4678 6.4678 6.4678 6.4678 6.7691 6.7691 6.7691 6.7691 7.5521 7.5521 7.5521 7.5521 8.1830 8.1830 8.1830 8.1830 9.0390 9.0390 9.0390 9.0390 9.8023 9.8023 9.8023 9.8023 10.2806 10.2806 10.2806 10.2806 k = 0.0000 0.2716 0.1972 ( 7762 PWs) bands (ev): -3.2647 -3.2647 -3.2647 -3.2647 -2.7835 -2.7835 -2.7835 -2.7835 3.9532 3.9532 3.9532 3.9532 4.4653 4.4653 4.4653 4.4653 5.1898 5.1898 5.1898 5.1898 6.5026 6.5026 6.5026 6.5026 6.7769 6.7769 6.7769 6.7769 7.5400 7.5400 7.5400 7.5400 8.1778 8.1778 8.1778 8.1778 9.0540 9.0540 9.0540 9.0540 9.8135 9.8135 9.8135 9.8135 10.2831 10.2831 10.2831 10.2831 k = 0.0000 0.2716 0.2088 ( 7754 PWs) bands (ev): -3.2535 -3.2535 -3.2535 -3.2535 -2.7972 -2.7972 -2.7972 -2.7972 3.9998 3.9998 3.9998 3.9998 4.4443 4.4443 4.4443 4.4443 5.1420 5.1420 5.1420 5.1420 6.5335 6.5335 6.5335 6.5335 6.7835 6.7835 6.7835 6.7835 7.5299 7.5299 7.5299 7.5299 8.1712 8.1712 8.1712 8.1712 9.0677 9.0677 9.0677 9.0677 9.8232 9.8232 9.8232 9.8232 10.2854 10.2854 10.2854 10.2854 k = 0.0000 0.2716 0.2204 ( 7760 PWs) bands (ev): -3.2440 -3.2440 -3.2440 -3.2440 -2.8087 -2.8087 -2.8087 -2.8087 4.0414 4.0414 4.0414 4.0414 4.4257 4.4257 4.4257 4.4257 5.1011 5.1011 5.1011 5.1011 6.5592 6.5592 6.5592 6.5592 6.7886 6.7886 6.7886 6.7886 7.5221 7.5221 7.5221 7.5221 8.1645 8.1645 8.1645 8.1645 9.0795 9.0795 9.0795 9.0795 9.8312 9.8312 9.8312 9.8312 10.2872 10.2872 10.2872 10.2872 k = 0.0000 0.2716 0.2320 ( 7756 PWs) bands (ev): -3.2368 -3.2368 -3.2368 -3.2368 -2.8174 -2.8174 -2.8174 -2.8174 4.0752 4.0752 4.0752 4.0752 4.4103 4.4103 4.4103 4.4103 5.0697 5.0697 5.0697 5.0697 6.5785 6.5785 6.5785 6.5785 6.7922 6.7922 6.7922 6.7922 7.5165 7.5165 7.5165 7.5165 8.1588 8.1588 8.1588 8.1588 9.0884 9.0884 9.0884 9.0884 9.8371 9.8371 9.8371 9.8371 10.2887 10.2887 10.2887 10.2887 k = 0.0000 0.2716 0.2436 ( 7758 PWs) bands (ev): -3.2323 -3.2323 -3.2323 -3.2323 -2.8228 -2.8228 -2.8228 -2.8228 4.0979 4.0979 4.0979 4.0979 4.3997 4.3997 4.3997 4.3997 5.0498 5.0498 5.0498 5.0498 6.5905 6.5905 6.5905 6.5905 6.7943 6.7943 6.7943 6.7943 7.5131 7.5131 7.5131 7.5131 8.1549 8.1549 8.1549 8.1549 9.0940 9.0940 9.0940 9.0940 9.8407 9.8407 9.8407 9.8407 10.2896 10.2896 10.2896 10.2896 k = 0.0000 0.2716 0.2552 ( 7764 PWs) bands (ev): -3.2307 -3.2307 -3.2307 -3.2307 -2.8246 -2.8246 -2.8246 -2.8246 4.1059 4.1059 4.1059 4.1059 4.3958 4.3958 4.3958 4.3958 5.0430 5.0430 5.0430 5.0430 6.5946 6.5946 6.5946 6.5946 6.7950 6.7950 6.7950 6.7950 7.5120 7.5120 7.5120 7.5120 8.1535 8.1535 8.1535 8.1535 9.0960 9.0960 9.0960 9.0960 9.8420 9.8420 9.8420 9.8420 10.2899 10.2899 10.2899 10.2899 k = 0.5000-0.0000 0.2552 ( 7812 PWs) bands (ev): -2.3676 -2.3676 -2.3676 -2.3676 -2.3573 -2.3573 -2.3573 -2.3573 3.7943 3.7943 3.7943 3.7943 3.8182 3.8182 3.8182 3.8182 5.1899 5.1899 5.1899 5.1899 5.2920 5.2920 5.2920 5.2920 5.7424 5.7424 5.7424 5.7424 5.8822 5.8822 5.8822 5.8822 8.5497 8.5497 8.5497 8.5497 8.5584 8.5584 8.5584 8.5584 10.6883 10.6883 10.6883 10.6883 10.7094 10.7094 10.7094 10.7094 k = 0.5000-0.0000 0.2436 ( 7828 PWs) bands (ev): -2.3684 -2.3684 -2.3684 -2.3684 -2.3565 -2.3565 -2.3565 -2.3565 3.7871 3.7871 3.7871 3.7871 3.8259 3.8259 3.8259 3.8259 5.1854 5.1854 5.1854 5.1854 5.2951 5.2951 5.2951 5.2951 5.7368 5.7368 5.7368 5.7368 5.8901 5.8901 5.8901 5.8901 8.5385 8.5385 8.5385 8.5385 8.5703 8.5703 8.5703 8.5703 10.6580 10.6580 10.6580 10.6580 10.7306 10.7306 10.7306 10.7306 k = 0.5000-0.0000 0.2320 ( 7820 PWs) bands (ev): -2.3704 -2.3704 -2.3704 -2.3704 -2.3547 -2.3547 -2.3547 -2.3547 3.7745 3.7745 3.7745 3.7745 3.8398 3.8398 3.8398 3.8398 5.1736 5.1736 5.1736 5.1736 5.3024 5.3024 5.3024 5.3024 5.7238 5.7238 5.7238 5.7238 5.9101 5.9101 5.9101 5.9101 8.5250 8.5250 8.5250 8.5250 8.5863 8.5863 8.5863 8.5863 10.6115 10.6115 10.6115 10.6115 10.7501 10.7501 10.7501 10.7501 k = 0.5000-0.0000 0.2204 ( 7828 PWs) bands (ev): -2.3729 -2.3729 -2.3729 -2.3729 -2.3524 -2.3524 -2.3524 -2.3524 3.7616 3.7616 3.7616 3.7616 3.8548 3.8548 3.8548 3.8548 5.1573 5.1573 5.1573 5.1573 5.3105 5.3105 5.3105 5.3105 5.7102 5.7102 5.7102 5.7102 5.9362 5.9362 5.9362 5.9362 8.5125 8.5125 8.5125 8.5125 8.6028 8.6028 8.6028 8.6028 10.5578 10.5578 10.5578 10.5578 10.7599 10.7599 10.7599 10.7599 k = 0.5000-0.0000 0.2088 ( 7830 PWs) bands (ev): -2.3756 -2.3756 -2.3756 -2.3756 -2.3499 -2.3499 -2.3499 -2.3499 3.7495 3.7495 3.7495 3.7495 3.8698 3.8698 3.8698 3.8698 5.1383 5.1383 5.1383 5.1383 5.3168 5.3168 5.3168 5.3168 5.7003 5.7003 5.7003 5.7003 5.9644 5.9644 5.9644 5.9644 8.5015 8.5015 8.5015 8.5015 8.6197 8.6197 8.6197 8.6197 10.4989 10.4989 10.4989 10.4989 10.7598 10.7598 10.7598 10.7598 k = 0.5000-0.0000 0.1972 ( 7838 PWs) bands (ev): -2.3784 -2.3784 -2.3784 -2.3784 -2.3474 -2.3474 -2.3474 -2.3474 3.7383 3.7383 3.7383 3.7383 3.8843 3.8843 3.8843 3.8843 5.1176 5.1176 5.1176 5.1176 5.3202 5.3202 5.3202 5.3202 5.6967 5.6967 5.6967 5.6967 5.9925 5.9925 5.9925 5.9925 8.4922 8.4922 8.4922 8.4922 8.6367 8.6367 8.6367 8.6367 10.4362 10.4362 10.4362 10.4362 10.7506 10.7506 10.7506 10.7506 k = 0.5000-0.0000 0.1856 ( 7822 PWs) bands (ev): -2.3811 -2.3811 -2.3811 -2.3811 -2.3450 -2.3450 -2.3450 -2.3450 3.7284 3.7284 3.7284 3.7284 3.8982 3.8982 3.8982 3.8982 5.0953 5.0953 5.0953 5.0953 5.3210 5.3210 5.3210 5.3210 5.6999 5.6999 5.6999 5.6999 6.0193 6.0193 6.0193 6.0193 8.4848 8.4848 8.4848 8.4848 8.6536 8.6536 8.6536 8.6536 10.3711 10.3711 10.3711 10.3711 10.7331 10.7331 10.7331 10.7331 k = 0.5000-0.0000 0.1740 ( 7810 PWs) bands (ev): -2.3839 -2.3839 -2.3839 -2.3839 -2.3426 -2.3426 -2.3426 -2.3426 3.7198 3.7198 3.7198 3.7198 3.9110 3.9110 3.9110 3.9110 5.0712 5.0712 5.0712 5.0712 5.3204 5.3204 5.3204 5.3204 5.7096 5.7096 5.7096 5.7096 6.0438 6.0438 6.0438 6.0438 8.4796 8.4796 8.4796 8.4796 8.6703 8.6703 8.6703 8.6703 10.3048 10.3048 10.3048 10.3048 10.7083 10.7083 10.7083 10.7083 k = 0.5000-0.0000 0.1624 ( 7802 PWs) bands (ev): -2.3866 -2.3866 -2.3866 -2.3866 -2.3403 -2.3403 -2.3403 -2.3403 3.7125 3.7125 3.7125 3.7125 3.9226 3.9226 3.9226 3.9226 5.0453 5.0453 5.0453 5.0453 5.3202 5.3202 5.3202 5.3202 5.7243 5.7243 5.7243 5.7243 6.0655 6.0655 6.0655 6.0655 8.4768 8.4768 8.4768 8.4768 8.6866 8.6866 8.6866 8.6866 10.2382 10.2382 10.2382 10.2382 10.6776 10.6776 10.6776 10.6776 k = 0.5000-0.0000 0.1508 ( 7808 PWs) bands (ev): -2.3892 -2.3892 -2.3892 -2.3892 -2.3381 -2.3381 -2.3381 -2.3381 3.7066 3.7066 3.7066 3.7066 3.9328 3.9328 3.9328 3.9328 5.0177 5.0177 5.0177 5.0177 5.3220 5.3220 5.3220 5.3220 5.7425 5.7425 5.7425 5.7425 6.0842 6.0842 6.0842 6.0842 8.4764 8.4764 8.4764 8.4764 8.7026 8.7026 8.7026 8.7026 10.1724 10.1724 10.1724 10.1724 10.6420 10.6420 10.6420 10.6420 k = 0.5000-0.0000 0.1392 ( 7816 PWs) bands (ev): -2.3918 -2.3918 -2.3918 -2.3918 -2.3361 -2.3361 -2.3361 -2.3361 3.7021 3.7021 3.7021 3.7021 3.9416 3.9416 3.9416 3.9416 4.9887 4.9887 4.9887 4.9887 5.3269 5.3269 5.3269 5.3269 5.7626 5.7626 5.7626 5.7626 6.0996 6.0996 6.0996 6.0996 8.4784 8.4784 8.4784 8.4784 8.7180 8.7180 8.7180 8.7180 10.1081 10.1081 10.1081 10.1081 10.6027 10.6027 10.6027 10.6027 k = 0.5000-0.0000 0.1276 ( 7824 PWs) bands (ev): -2.3942 -2.3942 -2.3942 -2.3942 -2.3341 -2.3341 -2.3341 -2.3341 3.6989 3.6989 3.6989 3.6989 3.9489 3.9489 3.9489 3.9489 4.9587 4.9587 4.9587 4.9587 5.3357 5.3357 5.3357 5.3357 5.7830 5.7830 5.7830 5.7830 6.1118 6.1118 6.1118 6.1118 8.4828 8.4828 8.4828 8.4828 8.7328 8.7328 8.7328 8.7328 10.0461 10.0461 10.0461 10.0461 10.5608 10.5608 10.5608 10.5608 k = 0.5000-0.0000 0.1160 ( 7824 PWs) bands (ev): -2.3964 -2.3964 -2.3964 -2.3964 -2.3324 -2.3324 -2.3324 -2.3324 3.6969 3.6969 3.6969 3.6969 3.9547 3.9547 3.9547 3.9547 4.9285 4.9285 4.9285 4.9285 5.3482 5.3482 5.3482 5.3482 5.8027 5.8027 5.8027 5.8027 6.1211 6.1211 6.1211 6.1211 8.4895 8.4895 8.4895 8.4895 8.7468 8.7468 8.7468 8.7468 9.9870 9.9870 9.9870 9.9870 10.5174 10.5174 10.5174 10.5174 k = 0.5000-0.0000 0.1044 ( 7818 PWs) bands (ev): -2.3985 -2.3985 -2.3985 -2.3985 -2.3307 -2.3307 -2.3307 -2.3307 3.6960 3.6960 3.6960 3.6960 3.9592 3.9592 3.9592 3.9592 4.8987 4.8987 4.8987 4.8987 5.3643 5.3643 5.3643 5.3643 5.8203 5.8203 5.8203 5.8203 6.1280 6.1280 6.1280 6.1280 8.4980 8.4980 8.4980 8.4980 8.7600 8.7600 8.7600 8.7600 9.9315 9.9315 9.9315 9.9315 10.4737 10.4737 10.4737 10.4737 k = 0.5000-0.0000 0.0928 ( 7818 PWs) bands (ev): -2.4004 -2.4004 -2.4004 -2.4004 -2.3292 -2.3292 -2.3292 -2.3292 3.6960 3.6960 3.6960 3.6960 3.9625 3.9625 3.9625 3.9625 4.8700 4.8700 4.8700 4.8700 5.3835 5.3835 5.3835 5.3835 5.8348 5.8348 5.8348 5.8348 6.1331 6.1331 6.1331 6.1331 8.5081 8.5081 8.5081 8.5081 8.7722 8.7722 8.7722 8.7722 9.8800 9.8800 9.8800 9.8800 10.4307 10.4307 10.4307 10.4307 k = 0.5000-0.0000 0.0812 ( 7818 PWs) bands (ev): -2.4021 -2.4021 -2.4021 -2.4021 -2.3279 -2.3279 -2.3279 -2.3279 3.6968 3.6968 3.6968 3.6968 3.9647 3.9647 3.9647 3.9647 4.8432 4.8432 4.8432 4.8432 5.4051 5.4051 5.4051 5.4051 5.8456 5.8456 5.8456 5.8456 6.1370 6.1370 6.1370 6.1370 8.5192 8.5192 8.5192 8.5192 8.7834 8.7834 8.7834 8.7834 9.8332 9.8332 9.8332 9.8332 10.3894 10.3894 10.3894 10.3894 k = 0.5000-0.0000 0.0696 ( 7820 PWs) bands (ev): -2.4037 -2.4037 -2.4037 -2.4037 -2.3268 -2.3268 -2.3268 -2.3268 3.6982 3.6982 3.6982 3.6982 3.9660 3.9660 3.9660 3.9660 4.8187 4.8187 4.8187 4.8187 5.4282 5.4282 5.4282 5.4282 5.8520 5.8520 5.8520 5.8520 6.1403 6.1403 6.1403 6.1403 8.5307 8.5307 8.5307 8.5307 8.7934 8.7934 8.7934 8.7934 9.7915 9.7915 9.7915 9.7915 10.3510 10.3510 10.3510 10.3510 k = 0.5000-0.0000 0.0580 ( 7816 PWs) bands (ev): -2.4050 -2.4050 -2.4050 -2.4050 -2.3258 -2.3258 -2.3258 -2.3258 3.6999 3.6999 3.6999 3.6999 3.9666 3.9666 3.9666 3.9666 4.7971 4.7971 4.7971 4.7971 5.4518 5.4518 5.4518 5.4518 5.8541 5.8541 5.8541 5.8541 6.1435 6.1435 6.1435 6.1435 8.5421 8.5421 8.5421 8.5421 8.8022 8.8022 8.8022 8.8022 9.7553 9.7553 9.7553 9.7553 10.3163 10.3163 10.3163 10.3163 k = 0.5000-0.0000 0.0464 ( 7832 PWs) bands (ev): -2.4061 -2.4061 -2.4061 -2.4061 -2.3250 -2.3250 -2.3250 -2.3250 3.7017 3.7017 3.7017 3.7017 3.9668 3.9668 3.9668 3.9668 4.7788 4.7788 4.7788 4.7788 5.4746 5.4746 5.4746 5.4746 5.8524 5.8524 5.8524 5.8524 6.1466 6.1466 6.1466 6.1466 8.5526 8.5526 8.5526 8.5526 8.8096 8.8096 8.8096 8.8096 9.7250 9.7250 9.7250 9.7250 10.2864 10.2864 10.2864 10.2864 k = 0.5000-0.0000 0.0348 ( 7832 PWs) bands (ev): -2.4069 -2.4069 -2.4069 -2.4069 -2.3244 -2.3244 -2.3244 -2.3244 3.7034 3.7034 3.7034 3.7034 3.9667 3.9667 3.9667 3.9667 4.7641 4.7641 4.7641 4.7641 5.4952 5.4952 5.4952 5.4952 5.8482 5.8482 5.8482 5.8482 6.1495 6.1495 6.1495 6.1495 8.5615 8.5615 8.5615 8.5615 8.8155 8.8155 8.8155 8.8155 9.7011 9.7011 9.7011 9.7011 10.2622 10.2622 10.2622 10.2622 k = 0.5000-0.0000 0.0232 ( 7830 PWs) bands (ev): -2.4075 -2.4075 -2.4075 -2.4075 -2.3239 -2.3239 -2.3239 -2.3239 3.7048 3.7048 3.7048 3.7048 3.9664 3.9664 3.9664 3.9664 4.7534 4.7534 4.7534 4.7534 5.5118 5.5118 5.5118 5.5118 5.8432 5.8432 5.8432 5.8432 6.1520 6.1520 6.1520 6.1520 8.5684 8.5684 8.5684 8.5684 8.8198 8.8198 8.8198 8.8198 9.6838 9.6838 9.6838 9.6838 10.2442 10.2442 10.2442 10.2442 k = 0.5000-0.0000 0.0116 ( 7822 PWs) bands (ev): -2.4079 -2.4079 -2.4079 -2.4079 -2.3237 -2.3237 -2.3237 -2.3237 3.7057 3.7057 3.7057 3.7057 3.9663 3.9663 3.9663 3.9663 4.7469 4.7469 4.7469 4.7469 5.5228 5.5228 5.5228 5.5228 5.8391 5.8391 5.8391 5.8391 6.1536 6.1536 6.1536 6.1536 8.5727 8.5727 8.5727 8.5727 8.8224 8.8224 8.8224 8.8224 9.6733 9.6733 9.6733 9.6733 10.2333 10.2333 10.2333 10.2333 k = 0.5000-0.0000-0.0000 ( 7816 PWs) bands (ev): -2.4080 -2.4080 -2.4080 -2.4080 -2.3236 -2.3236 -2.3236 -2.3236 3.7060 3.7060 3.7060 3.7060 3.9662 3.9662 3.9662 3.9662 4.7448 4.7448 4.7448 4.7448 5.5266 5.5266 5.5266 5.5266 5.8376 5.8376 5.8376 5.8376 6.1542 6.1542 6.1542 6.1542 8.5742 8.5742 8.5742 8.5742 8.8233 8.8233 8.8233 8.8233 9.6698 9.6698 9.6698 9.6698 10.2296 10.2296 10.2296 10.2296 k = 0.5000 0.2716-0.0000 ( 7808 PWs) bands (ev): -2.4777 -2.4777 -2.4777 -2.4777 -2.2328 -2.2328 -2.2328 -2.2328 3.0450 3.0450 3.0450 3.0450 4.1852 4.1852 4.1852 4.1852 5.1169 5.1169 5.1169 5.1169 5.4539 5.4539 5.4539 5.4539 6.1874 6.1874 6.1874 6.1874 6.4195 6.4195 6.4195 6.4195 8.0532 8.0532 8.0532 8.0532 8.6778 8.6778 8.6778 8.6778 10.4574 10.4574 10.4574 10.4574 10.6308 10.6308 10.6308 10.6308 k = 0.5000 0.2716 0.0116 ( 7804 PWs) bands (ev): -2.4773 -2.4773 -2.4773 -2.4773 -2.2331 -2.2331 -2.2331 -2.2331 3.0459 3.0459 3.0459 3.0459 4.1824 4.1824 4.1824 4.1824 5.1187 5.1187 5.1187 5.1187 5.4544 5.4544 5.4544 5.4544 6.1871 6.1871 6.1871 6.1871 6.4189 6.4189 6.4189 6.4189 8.0546 8.0546 8.0546 8.0546 8.6784 8.6784 8.6784 8.6784 10.4578 10.4578 10.4578 10.4578 10.6314 10.6314 10.6314 10.6314 k = 0.5000 0.2716 0.0232 ( 7804 PWs) bands (ev): -2.4764 -2.4764 -2.4764 -2.4764 -2.2341 -2.2341 -2.2341 -2.2341 3.0485 3.0485 3.0485 3.0485 4.1740 4.1740 4.1740 4.1740 5.1239 5.1239 5.1239 5.1239 5.4558 5.4558 5.4558 5.4558 6.1865 6.1865 6.1865 6.1865 6.4171 6.4171 6.4171 6.4171 8.0590 8.0590 8.0590 8.0590 8.6804 8.6804 8.6804 8.6804 10.4587 10.4587 10.4587 10.4587 10.6333 10.6333 10.6333 10.6333 k = 0.5000 0.2716 0.0348 ( 7804 PWs) bands (ev): -2.4748 -2.4748 -2.4748 -2.4748 -2.2356 -2.2356 -2.2356 -2.2356 3.0530 3.0530 3.0530 3.0530 4.1602 4.1602 4.1602 4.1602 5.1323 5.1323 5.1323 5.1323 5.4582 5.4582 5.4582 5.4582 6.1855 6.1855 6.1855 6.1855 6.4141 6.4141 6.4141 6.4141 8.0662 8.0662 8.0662 8.0662 8.6837 8.6837 8.6837 8.6837 10.4602 10.4602 10.4602 10.4602 10.6364 10.6364 10.6364 10.6364 k = 0.5000 0.2716 0.0464 ( 7792 PWs) bands (ev): -2.4727 -2.4727 -2.4727 -2.4727 -2.2378 -2.2378 -2.2378 -2.2378 3.0593 3.0593 3.0593 3.0593 4.1415 4.1415 4.1415 4.1415 5.1436 5.1436 5.1436 5.1436 5.4613 5.4613 5.4613 5.4613 6.1841 6.1841 6.1841 6.1841 6.4099 6.4099 6.4099 6.4099 8.0762 8.0762 8.0762 8.0762 8.6880 8.6880 8.6880 8.6880 10.4624 10.4624 10.4624 10.4624 10.6406 10.6406 10.6406 10.6406 k = 0.5000 0.2716 0.0580 ( 7804 PWs) bands (ev): -2.4699 -2.4699 -2.4699 -2.4699 -2.2405 -2.2405 -2.2405 -2.2405 3.0674 3.0674 3.0674 3.0674 4.1183 4.1183 4.1183 4.1183 5.1574 5.1574 5.1574 5.1574 5.4651 5.4651 5.4651 5.4651 6.1824 6.1824 6.1824 6.1824 6.4046 6.4046 6.4046 6.4046 8.0891 8.0891 8.0891 8.0891 8.6931 8.6931 8.6931 8.6931 10.4651 10.4651 10.4651 10.4651 10.6459 10.6459 10.6459 10.6459 k = 0.5000 0.2716 0.0696 ( 7804 PWs) bands (ev): -2.4666 -2.4666 -2.4666 -2.4666 -2.2439 -2.2439 -2.2439 -2.2439 3.0773 3.0773 3.0773 3.0773 4.0912 4.0912 4.0912 4.0912 5.1732 5.1732 5.1732 5.1732 5.4696 5.4696 5.4696 5.4696 6.1805 6.1805 6.1805 6.1805 6.3983 6.3983 6.3983 6.3983 8.1046 8.1046 8.1046 8.1046 8.6989 8.6989 8.6989 8.6989 10.4685 10.4685 10.4685 10.4685 10.6523 10.6523 10.6523 10.6523 k = 0.5000 0.2716 0.0812 ( 7804 PWs) bands (ev): -2.4626 -2.4626 -2.4626 -2.4626 -2.2478 -2.2478 -2.2478 -2.2478 3.0890 3.0890 3.0890 3.0890 4.0607 4.0607 4.0607 4.0607 5.1906 5.1906 5.1906 5.1906 5.4744 5.4744 5.4744 5.4744 6.1785 6.1785 6.1785 6.1785 6.3909 6.3909 6.3909 6.3909 8.1228 8.1228 8.1228 8.1228 8.7050 8.7050 8.7050 8.7050 10.4726 10.4726 10.4726 10.4726 10.6595 10.6595 10.6595 10.6595 k = 0.5000 0.2716 0.0928 ( 7820 PWs) bands (ev): -2.4582 -2.4582 -2.4582 -2.4582 -2.2522 -2.2522 -2.2522 -2.2522 3.1025 3.1025 3.1025 3.1025 4.0273 4.0273 4.0273 4.0273 5.2093 5.2093 5.2093 5.2093 5.4795 5.4795 5.4795 5.4795 6.1765 6.1765 6.1765 6.1765 6.3826 6.3826 6.3826 6.3826 8.1434 8.1434 8.1434 8.1434 8.7109 8.7109 8.7109 8.7109 10.4773 10.4773 10.4773 10.4773 10.6675 10.6675 10.6675 10.6675 k = 0.5000 0.2716 0.1044 ( 7828 PWs) bands (ev): -2.4532 -2.4532 -2.4532 -2.4532 -2.2572 -2.2572 -2.2572 -2.2572 3.1178 3.1178 3.1178 3.1178 3.9916 3.9916 3.9916 3.9916 5.2288 5.2288 5.2288 5.2288 5.4846 5.4846 5.4846 5.4846 6.1746 6.1746 6.1746 6.1746 6.3734 6.3734 6.3734 6.3734 8.1665 8.1665 8.1665 8.1665 8.7164 8.7164 8.7164 8.7164 10.4829 10.4829 10.4829 10.4829 10.6761 10.6761 10.6761 10.6761 k = 0.5000 0.2716 0.1160 ( 7824 PWs) bands (ev): -2.4477 -2.4477 -2.4477 -2.4477 -2.2627 -2.2627 -2.2627 -2.2627 3.1349 3.1349 3.1349 3.1349 3.9540 3.9540 3.9540 3.9540 5.2489 5.2489 5.2489 5.2489 5.4896 5.4896 5.4896 5.4896 6.1730 6.1730 6.1730 6.1730 6.3634 6.3634 6.3634 6.3634 8.1918 8.1918 8.1918 8.1918 8.7209 8.7209 8.7209 8.7209 10.4894 10.4894 10.4894 10.4894 10.6851 10.6851 10.6851 10.6851 k = 0.5000 0.2716 0.1276 ( 7816 PWs) bands (ev): -2.4417 -2.4417 -2.4417 -2.4417 -2.2686 -2.2686 -2.2686 -2.2686 3.1537 3.1537 3.1537 3.1537 3.9148 3.9148 3.9148 3.9148 5.2693 5.2693 5.2693 5.2693 5.4941 5.4941 5.4941 5.4941 6.1718 6.1718 6.1718 6.1718 6.3527 6.3527 6.3527 6.3527 8.2191 8.2191 8.2191 8.2191 8.7240 8.7240 8.7240 8.7240 10.4969 10.4969 10.4969 10.4969 10.6942 10.6942 10.6942 10.6942 k = 0.5000 0.2716 0.1392 ( 7828 PWs) bands (ev): -2.4353 -2.4353 -2.4353 -2.4353 -2.2750 -2.2750 -2.2750 -2.2750 3.1743 3.1743 3.1743 3.1743 3.8746 3.8746 3.8746 3.8746 5.2897 5.2897 5.2897 5.2897 5.4980 5.4980 5.4980 5.4980 6.1712 6.1712 6.1712 6.1712 6.3414 6.3414 6.3414 6.3414 8.2483 8.2483 8.2483 8.2483 8.7254 8.7254 8.7254 8.7254 10.5056 10.5056 10.5056 10.5056 10.7030 10.7030 10.7030 10.7030 k = 0.5000 0.2716 0.1508 ( 7816 PWs) bands (ev): -2.4285 -2.4285 -2.4285 -2.4285 -2.2818 -2.2818 -2.2818 -2.2818 3.1967 3.1967 3.1967 3.1967 3.8336 3.8336 3.8336 3.8336 5.3100 5.3100 5.3100 5.3100 5.5010 5.5010 5.5010 5.5010 6.1713 6.1713 6.1713 6.1713 6.3296 6.3296 6.3296 6.3296 8.2791 8.2791 8.2791 8.2791 8.7244 8.7244 8.7244 8.7244 10.5157 10.5157 10.5157 10.5157 10.7111 10.7111 10.7111 10.7111 k = 0.5000 0.2716 0.1624 ( 7812 PWs) bands (ev): -2.4213 -2.4213 -2.4213 -2.4213 -2.2890 -2.2890 -2.2890 -2.2890 3.2207 3.2207 3.2207 3.2207 3.7921 3.7921 3.7921 3.7921 5.3299 5.3299 5.3299 5.3299 5.5030 5.5030 5.5030 5.5030 6.1723 6.1723 6.1723 6.1723 6.3175 6.3175 6.3175 6.3175 8.3113 8.3113 8.3113 8.3113 8.7209 8.7209 8.7209 8.7209 10.5274 10.5274 10.5274 10.5274 10.7181 10.7181 10.7181 10.7181 k = 0.5000 0.2716 0.1740 ( 7828 PWs) bands (ev): -2.4138 -2.4138 -2.4138 -2.4138 -2.2965 -2.2965 -2.2965 -2.2965 3.2465 3.2465 3.2465 3.2465 3.7504 3.7504 3.7504 3.7504 5.3493 5.3493 5.3493 5.3493 5.5037 5.5037 5.5037 5.5037 6.1742 6.1742 6.1742 6.1742 6.3051 6.3051 6.3051 6.3051 8.3445 8.3445 8.3445 8.3445 8.7144 8.7144 8.7144 8.7144 10.5408 10.5408 10.5408 10.5408 10.7233 10.7233 10.7233 10.7233 k = 0.5000 0.2716 0.1856 ( 7824 PWs) bands (ev): -2.4060 -2.4060 -2.4060 -2.4060 -2.3043 -2.3043 -2.3043 -2.3043 3.2739 3.2739 3.2739 3.2739 3.7088 3.7088 3.7088 3.7088 5.3680 5.3680 5.3680 5.3680 5.5030 5.5030 5.5030 5.5030 6.1772 6.1772 6.1772 6.1772 6.2925 6.2925 6.2925 6.2925 8.3785 8.3785 8.3785 8.3785 8.7047 8.7047 8.7047 8.7047 10.5559 10.5559 10.5559 10.5559 10.7262 10.7262 10.7262 10.7262 k = 0.5000 0.2716 0.1972 ( 7832 PWs) bands (ev): -2.3979 -2.3979 -2.3979 -2.3979 -2.3123 -2.3123 -2.3123 -2.3123 3.3030 3.3030 3.3030 3.3030 3.6674 3.6674 3.6674 3.6674 5.3859 5.3859 5.3859 5.3859 5.5008 5.5008 5.5008 5.5008 6.1812 6.1812 6.1812 6.1812 6.2801 6.2801 6.2801 6.2801 8.4129 8.4129 8.4129 8.4129 8.6918 8.6918 8.6918 8.6918 10.5727 10.5727 10.5727 10.5727 10.7260 10.7260 10.7260 10.7260 k = 0.5000 0.2716 0.2088 ( 7836 PWs) bands (ev): -2.3896 -2.3896 -2.3896 -2.3896 -2.3206 -2.3206 -2.3206 -2.3206 3.3336 3.3336 3.3336 3.3336 3.6266 3.6266 3.6266 3.6266 5.4027 5.4027 5.4027 5.4027 5.4971 5.4971 5.4971 5.4971 6.1863 6.1863 6.1863 6.1863 6.2679 6.2679 6.2679 6.2679 8.4472 8.4472 8.4472 8.4472 8.6755 8.6755 8.6755 8.6755 10.5911 10.5911 10.5911 10.5911 10.7224 10.7224 10.7224 10.7224 k = 0.5000 0.2716 0.2204 ( 7820 PWs) bands (ev): -2.3812 -2.3812 -2.3812 -2.3812 -2.3290 -2.3290 -2.3290 -2.3290 3.3657 3.3657 3.3657 3.3657 3.5863 3.5863 3.5863 3.5863 5.4183 5.4183 5.4183 5.4183 5.4920 5.4920 5.4920 5.4920 6.1924 6.1924 6.1924 6.1924 6.2561 6.2561 6.2561 6.2561 8.4810 8.4810 8.4810 8.4810 8.6560 8.6560 8.6560 8.6560 10.6107 10.6107 10.6107 10.6107 10.7148 10.7148 10.7148 10.7148 k = 0.5000 0.2716 0.2320 ( 7820 PWs) bands (ev): -2.3726 -2.3726 -2.3726 -2.3726 -2.3376 -2.3376 -2.3376 -2.3376 3.3992 3.3992 3.3992 3.3992 3.5470 3.5470 3.5470 3.5470 5.4321 5.4321 5.4321 5.4321 5.4856 5.4856 5.4856 5.4856 6.1992 6.1992 6.1992 6.1992 6.2451 6.2451 6.2451 6.2451 8.5137 8.5137 8.5137 8.5137 8.6337 8.6337 8.6337 8.6337 10.6310 10.6310 10.6310 10.6310 10.7035 10.7035 10.7035 10.7035 k = 0.5000 0.2716 0.2436 ( 7808 PWs) bands (ev): -2.3640 -2.3640 -2.3640 -2.3640 -2.3462 -2.3462 -2.3462 -2.3462 3.4339 3.4339 3.4339 3.4339 3.5087 3.5087 3.5087 3.5087 5.4432 5.4432 5.4432 5.4432 5.4791 5.4791 5.4791 5.4791 6.2059 6.2059 6.2059 6.2059 6.2359 6.2359 6.2359 6.2359 8.5441 8.5441 8.5441 8.5441 8.6097 8.6097 8.6097 8.6097 10.6511 10.6511 10.6511 10.6512 10.6888 10.6888 10.6888 10.6888 k = 0.5000 0.2716 0.2552 ( 7816 PWs) bands (ev): -2.3568 -2.3568 -2.3568 -2.3568 -2.3533 -2.3533 -2.3533 -2.3533 3.4642 3.4642 3.4642 3.4642 3.4773 3.4773 3.4773 3.4773 5.4481 5.4481 5.4481 5.4481 5.4757 5.4757 5.4757 5.4757 6.2094 6.2094 6.2094 6.2094 6.2316 6.2316 6.2316 6.2316 8.5632 8.5632 8.5632 8.5632 8.5927 8.5927 8.5927 8.5927 10.6675 10.6675 10.6675 10.6675 10.6743 10.6743 10.6743 10.6743 Writing output data file ZrTe.save init_run : 0.52s CPU 0.66s WALL ( 1 calls) electrons : 337.05s CPU 342.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 337.05s CPU 342.67s 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 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.16s WALL ( 360 calls) cegterg : 306.63s CPU 309.78s WALL ( 789 calls) Called by sum_band: Called by *egterg: h_psi : 184.51s CPU 186.80s WALL ( 13704 calls) s_psi : 14.37s CPU 14.58s WALL ( 13704 calls) g_psi : 0.68s CPU 0.77s WALL ( 12555 calls) cdiaghg : 84.10s CPU 85.21s WALL ( 12915 calls) cegterg:over : 16.38s CPU 16.36s WALL ( 12555 calls) cegterg:upda : 16.33s CPU 16.23s WALL ( 12555 calls) cegterg:last : 8.22s CPU 8.26s WALL ( 2268 calls) cdiaghg:chol : 4.96s CPU 4.91s WALL ( 12915 calls) cdiaghg:inve : 3.23s CPU 3.16s WALL ( 12915 calls) cdiaghg:para : 4.69s CPU 4.98s WALL ( 25830 calls) Called by h_psi: h_psi:vloc : 148.58s CPU 150.77s WALL ( 13704 calls) h_psi:vnl : 35.21s CPU 35.28s WALL ( 13704 calls) add_vuspsi : 18.03s CPU 17.96s WALL ( 13704 calls) General routines calbec : 17.12s CPU 17.28s WALL ( 13704 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 140.48s CPU 142.56s WALL ( 1361096 calls) davcio : 0.30s CPU 0.42s WALL ( 720 calls) Parallel routines fft_scatter : 50.77s CPU 51.83s WALL ( 1361111 calls) PWSCF : 6m 0.52s CPU 6m31.19s WALL This run was terminated on: 21:24:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=