Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:45:57 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: ./ZrHg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 32 15 4 1106 363 60 Max 33 16 5 1111 378 69 Sum 1177 561 177 39915 13323 2363 bravais-lattice index = 14 lattice parameter (alat) = 5.9470 a.u. unit-cell volume = 278.6930 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.946968 celldm(2)= 1.000000 celldm(3)= 1.325071 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.325071 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.754676 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Zr 4.00 91.22400 Zr( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 465 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0000000 0.0100000 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0000000 0.0300000 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0000000 0.0700000 -0.0000000), wk = 0.0021505 k( 9) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0021505 k( 10) = ( 0.0000000 0.0900000 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0000000 0.1100000 -0.0000000), wk = 0.0021505 k( 13) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0021505 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0021505 k( 15) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0021505 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0021505 k( 17) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0021505 k( 18) = ( 0.0000000 0.1700000 -0.0000000), wk = 0.0021505 k( 19) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0021505 k( 20) = ( 0.0000000 0.1900000 -0.0000000), wk = 0.0021505 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0021505 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0021505 k( 23) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0021505 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0021505 k( 25) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0021505 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0021505 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0021505 k( 28) = ( 0.0000000 0.2700000 -0.0000000), wk = 0.0021505 k( 29) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0021505 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0021505 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0021505 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0021505 k( 33) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0021505 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0021505 k( 35) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0021505 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0021505 k( 37) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0021505 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0021505 k( 39) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0021505 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0021505 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0021505 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0021505 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0021505 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0021505 k( 45) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0021505 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0021505 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0021505 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0021505 k( 49) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0021505 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0021505 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 53) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0021505 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0021505 k( 55) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0021505 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0021505 k( 57) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0021505 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0021505 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0021505 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0021505 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0021505 k( 62) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0021505 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0021505 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0021505 k( 65) = ( 0.1300000 0.5000000 -0.0000000), wk = 0.0021505 k( 66) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0021505 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0021505 k( 68) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0021505 k( 69) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0021505 k( 70) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0021505 k( 71) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0021505 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0021505 k( 73) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0021505 k( 74) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0021505 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0021505 k( 76) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0021505 k( 77) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0021505 k( 78) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0021505 k( 79) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0021505 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0021505 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0021505 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0021505 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0021505 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0021505 k( 85) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0021505 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0021505 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0021505 k( 88) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0021505 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0021505 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0021505 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0021505 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0021505 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0021505 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0021505 k( 95) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0021505 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0021505 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0021505 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0021505 k( 99) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0021505 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0021505 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0021505 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 104) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0021505 k( 105) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0021505 k( 106) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0021505 k( 107) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0021505 k( 108) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0021505 k( 109) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0021505 k( 110) = ( 0.4507042 0.4507042 -0.0000000), wk = 0.0021505 k( 111) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0021505 k( 112) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0021505 k( 113) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0021505 k( 114) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0021505 k( 115) = ( 0.4154930 0.4154930 -0.0000000), wk = 0.0021505 k( 116) = ( 0.4084507 0.4084507 -0.0000000), wk = 0.0021505 k( 117) = ( 0.4014085 0.4014084 -0.0000000), wk = 0.0021505 k( 118) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0021505 k( 119) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0021505 k( 120) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0021505 k( 121) = ( 0.3732394 0.3732394 -0.0000000), wk = 0.0021505 k( 122) = ( 0.3661972 0.3661972 -0.0000000), wk = 0.0021505 k( 123) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0021505 k( 124) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0021505 k( 125) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0021505 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0021505 k( 127) = ( 0.3309859 0.3309859 -0.0000000), wk = 0.0021505 k( 128) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0021505 k( 129) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0021505 k( 130) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0021505 k( 131) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0021505 k( 132) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0021505 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0021505 k( 134) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0021505 k( 135) = ( 0.2746479 0.2746479 -0.0000000), wk = 0.0021505 k( 136) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0021505 k( 137) = ( 0.2605634 0.2605634 -0.0000000), wk = 0.0021505 k( 138) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0021505 k( 139) = ( 0.2464789 0.2464789 -0.0000000), wk = 0.0021505 k( 140) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0021505 k( 141) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0021505 k( 142) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0021505 k( 143) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0021505 k( 144) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0021505 k( 145) = ( 0.2042253 0.2042253 -0.0000000), wk = 0.0021505 k( 146) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0021505 k( 147) = ( 0.1901409 0.1901408 -0.0000000), wk = 0.0021505 k( 148) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0021505 k( 149) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0021505 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0021505 k( 151) = ( 0.1619718 0.1619718 -0.0000000), wk = 0.0021505 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0021505 k( 153) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0021505 k( 154) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0021505 k( 155) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0021505 k( 156) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0021505 k( 157) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0021505 k( 158) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0021505 k( 159) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0021505 k( 160) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0021505 k( 161) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0021505 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0021505 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0021505 k( 164) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0021505 k( 165) = ( 0.0633803 0.0633803 -0.0000000), wk = 0.0021505 k( 166) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0021505 k( 167) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0021505 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0021505 k( 169) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0021505 k( 170) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0021505 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0021505 k( 172) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0021505 k( 173) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0021505 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 176) = ( 0.0000000 0.0000000 0.0099299), wk = 0.0021505 k( 177) = ( 0.0000000 0.0000000 0.0198599), wk = 0.0021505 k( 178) = ( 0.0000000 0.0000000 0.0297898), wk = 0.0021505 k( 179) = ( 0.0000000 0.0000000 0.0397198), wk = 0.0021505 k( 180) = ( 0.0000000 0.0000000 0.0496498), wk = 0.0021505 k( 181) = ( 0.0000000 0.0000000 0.0595797), wk = 0.0021505 k( 182) = ( 0.0000000 0.0000000 0.0695097), wk = 0.0021505 k( 183) = ( 0.0000000 0.0000000 0.0794396), wk = 0.0021505 k( 184) = ( 0.0000000 0.0000000 0.0893696), wk = 0.0021505 k( 185) = ( 0.0000000 0.0000000 0.0992995), wk = 0.0021505 k( 186) = ( 0.0000000 0.0000000 0.1092295), wk = 0.0021505 k( 187) = ( 0.0000000 0.0000000 0.1191594), wk = 0.0021505 k( 188) = ( 0.0000000 0.0000000 0.1290894), wk = 0.0021505 k( 189) = ( 0.0000000 0.0000000 0.1390193), wk = 0.0021505 k( 190) = ( 0.0000000 0.0000000 0.1489493), wk = 0.0021505 k( 191) = ( 0.0000000 0.0000000 0.1588792), wk = 0.0021505 k( 192) = ( 0.0000000 0.0000000 0.1688092), wk = 0.0021505 k( 193) = ( 0.0000000 0.0000000 0.1787391), wk = 0.0021505 k( 194) = ( 0.0000000 0.0000000 0.1886691), wk = 0.0021505 k( 195) = ( 0.0000000 0.0000000 0.1985990), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.2085290), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.2184589), wk = 0.0021505 k( 198) = ( 0.0000000 0.0000000 0.2283889), wk = 0.0021505 k( 199) = ( 0.0000000 0.0000000 0.2383188), wk = 0.0021505 k( 200) = ( 0.0000000 0.0000000 0.2482488), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.2581787), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.2681087), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.2780386), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.2879686), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.2978985), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.3078285), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.3177584), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.3276884), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.3376183), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.3475483), wk = 0.0021505 k( 211) = ( 0.0000000 0.0000000 0.3574782), wk = 0.0021505 k( 212) = ( 0.0000000 0.0000000 0.3674082), wk = 0.0021505 k( 213) = ( 0.0000000 0.0000000 0.3773381), wk = 0.0021505 k( 214) = ( 0.0000000 0.0000000 0.3773381), wk = 0.0021505 k( 215) = ( 0.0000000 0.0100000 0.3773381), wk = 0.0021505 k( 216) = ( 0.0000000 0.0200000 0.3773381), wk = 0.0021505 k( 217) = ( 0.0000000 0.0300000 0.3773381), wk = 0.0021505 k( 218) = ( 0.0000000 0.0400000 0.3773381), wk = 0.0021505 k( 219) = ( 0.0000000 0.0500000 0.3773381), wk = 0.0021505 k( 220) = ( 0.0000000 0.0600000 0.3773381), wk = 0.0021505 k( 221) = ( 0.0000000 0.0700000 0.3773381), wk = 0.0021505 k( 222) = ( 0.0000000 0.0800000 0.3773381), wk = 0.0021505 k( 223) = ( 0.0000000 0.0900000 0.3773381), wk = 0.0021505 k( 224) = ( 0.0000000 0.1000000 0.3773381), wk = 0.0021505 k( 225) = ( 0.0000000 0.1100000 0.3773381), wk = 0.0021505 k( 226) = ( 0.0000000 0.1200000 0.3773381), wk = 0.0021505 k( 227) = ( 0.0000000 0.1300000 0.3773381), wk = 0.0021505 k( 228) = ( 0.0000000 0.1400000 0.3773381), wk = 0.0021505 k( 229) = ( 0.0000000 0.1500000 0.3773381), wk = 0.0021505 k( 230) = ( 0.0000000 0.1600000 0.3773381), wk = 0.0021505 k( 231) = ( 0.0000000 0.1700000 0.3773381), wk = 0.0021505 k( 232) = ( 0.0000000 0.1800000 0.3773381), wk = 0.0021505 k( 233) = ( 0.0000000 0.1900000 0.3773381), wk = 0.0021505 k( 234) = ( 0.0000000 0.2000000 0.3773381), wk = 0.0021505 k( 235) = ( 0.0000000 0.2100000 0.3773381), wk = 0.0021505 k( 236) = ( 0.0000000 0.2200000 0.3773381), wk = 0.0021505 k( 237) = ( 0.0000000 0.2300000 0.3773381), wk = 0.0021505 k( 238) = ( 0.0000000 0.2400000 0.3773381), wk = 0.0021505 k( 239) = ( 0.0000000 0.2500000 0.3773381), wk = 0.0021505 k( 240) = ( 0.0000000 0.2600000 0.3773381), wk = 0.0021505 k( 241) = ( 0.0000000 0.2700000 0.3773381), wk = 0.0021505 k( 242) = ( 0.0000000 0.2800000 0.3773381), wk = 0.0021505 k( 243) = ( 0.0000000 0.2900000 0.3773381), wk = 0.0021505 k( 244) = ( 0.0000000 0.3000000 0.3773381), wk = 0.0021505 k( 245) = ( 0.0000000 0.3100000 0.3773381), wk = 0.0021505 k( 246) = ( 0.0000000 0.3200000 0.3773381), wk = 0.0021505 k( 247) = ( 0.0000000 0.3300000 0.3773381), wk = 0.0021505 k( 248) = ( 0.0000000 0.3400000 0.3773381), wk = 0.0021505 k( 249) = ( 0.0000000 0.3500000 0.3773381), wk = 0.0021505 k( 250) = ( 0.0000000 0.3600000 0.3773381), wk = 0.0021505 k( 251) = ( 0.0000000 0.3700000 0.3773381), wk = 0.0021505 k( 252) = ( 0.0000000 0.3800000 0.3773381), wk = 0.0021505 k( 253) = ( 0.0000000 0.3900000 0.3773381), wk = 0.0021505 k( 254) = ( 0.0000000 0.4000000 0.3773381), wk = 0.0021505 k( 255) = ( 0.0000000 0.4100000 0.3773381), wk = 0.0021505 k( 256) = ( 0.0000000 0.4200000 0.3773381), wk = 0.0021505 k( 257) = ( 0.0000000 0.4300000 0.3773381), wk = 0.0021505 k( 258) = ( 0.0000000 0.4400000 0.3773381), wk = 0.0021505 k( 259) = ( 0.0000000 0.4500000 0.3773381), wk = 0.0021505 k( 260) = ( 0.0000000 0.4600000 0.3773381), wk = 0.0021505 k( 261) = ( 0.0000000 0.4700000 0.3773381), wk = 0.0021505 k( 262) = ( 0.0000000 0.4800000 0.3773381), wk = 0.0021505 k( 263) = ( 0.0000000 0.4900000 0.3773381), wk = 0.0021505 k( 264) = ( 0.0000000 0.5000000 0.3773381), wk = 0.0021505 k( 265) = ( 0.0000000 0.5000000 0.3773381), wk = 0.0021505 k( 266) = ( 0.0100000 0.5000000 0.3773381), wk = 0.0021505 k( 267) = ( 0.0200000 0.5000000 0.3773381), wk = 0.0021505 k( 268) = ( 0.0300000 0.5000000 0.3773381), wk = 0.0021505 k( 269) = ( 0.0400000 0.5000000 0.3773381), wk = 0.0021505 k( 270) = ( 0.0500000 0.5000000 0.3773381), wk = 0.0021505 k( 271) = ( 0.0600000 0.5000000 0.3773381), wk = 0.0021505 k( 272) = ( 0.0700000 0.5000000 0.3773381), wk = 0.0021505 k( 273) = ( 0.0800000 0.5000000 0.3773381), wk = 0.0021505 k( 274) = ( 0.0900000 0.5000000 0.3773381), wk = 0.0021505 k( 275) = ( 0.1000000 0.5000000 0.3773381), wk = 0.0021505 k( 276) = ( 0.1100000 0.5000000 0.3773381), wk = 0.0021505 k( 277) = ( 0.1200000 0.5000000 0.3773381), wk = 0.0021505 k( 278) = ( 0.1300000 0.5000000 0.3773381), wk = 0.0021505 k( 279) = ( 0.1400000 0.5000000 0.3773381), wk = 0.0021505 k( 280) = ( 0.1500000 0.5000000 0.3773381), wk = 0.0021505 k( 281) = ( 0.1600000 0.5000000 0.3773381), wk = 0.0021505 k( 282) = ( 0.1700000 0.5000000 0.3773381), wk = 0.0021505 k( 283) = ( 0.1800000 0.5000000 0.3773381), wk = 0.0021505 k( 284) = ( 0.1900000 0.5000000 0.3773381), wk = 0.0021505 k( 285) = ( 0.2000000 0.5000000 0.3773381), wk = 0.0021505 k( 286) = ( 0.2100000 0.5000000 0.3773381), wk = 0.0021505 k( 287) = ( 0.2200000 0.5000000 0.3773381), wk = 0.0021505 k( 288) = ( 0.2300000 0.5000000 0.3773381), wk = 0.0021505 k( 289) = ( 0.2400000 0.5000000 0.3773381), wk = 0.0021505 k( 290) = ( 0.2500000 0.5000000 0.3773381), wk = 0.0021505 k( 291) = ( 0.2600000 0.5000000 0.3773381), wk = 0.0021505 k( 292) = ( 0.2700000 0.5000000 0.3773381), wk = 0.0021505 k( 293) = ( 0.2800000 0.5000000 0.3773381), wk = 0.0021505 k( 294) = ( 0.2900000 0.5000000 0.3773381), wk = 0.0021505 k( 295) = ( 0.3000000 0.5000000 0.3773381), wk = 0.0021505 k( 296) = ( 0.3100000 0.5000000 0.3773381), wk = 0.0021505 k( 297) = ( 0.3200000 0.5000000 0.3773381), wk = 0.0021505 k( 298) = ( 0.3300000 0.5000000 0.3773381), wk = 0.0021505 k( 299) = ( 0.3400000 0.5000000 0.3773381), wk = 0.0021505 k( 300) = ( 0.3500000 0.5000000 0.3773381), wk = 0.0021505 k( 301) = ( 0.3600000 0.5000000 0.3773381), wk = 0.0021505 k( 302) = ( 0.3700000 0.5000000 0.3773381), wk = 0.0021505 k( 303) = ( 0.3800000 0.5000000 0.3773381), wk = 0.0021505 k( 304) = ( 0.3900000 0.5000000 0.3773381), wk = 0.0021505 k( 305) = ( 0.4000000 0.5000000 0.3773381), wk = 0.0021505 k( 306) = ( 0.4100000 0.5000000 0.3773381), wk = 0.0021505 k( 307) = ( 0.4200000 0.5000000 0.3773381), wk = 0.0021505 k( 308) = ( 0.4300000 0.5000000 0.3773381), wk = 0.0021505 k( 309) = ( 0.4400000 0.5000000 0.3773381), wk = 0.0021505 k( 310) = ( 0.4500000 0.5000000 0.3773381), wk = 0.0021505 k( 311) = ( 0.4600000 0.5000000 0.3773381), wk = 0.0021505 k( 312) = ( 0.4700000 0.5000000 0.3773381), wk = 0.0021505 k( 313) = ( 0.4800000 0.5000000 0.3773381), wk = 0.0021505 k( 314) = ( 0.4900000 0.5000000 0.3773381), wk = 0.0021505 k( 315) = ( 0.5000000 0.5000000 0.3773381), wk = 0.0021505 k( 316) = ( 0.5000000 0.5000000 0.3773381), wk = 0.0021505 k( 317) = ( 0.4929577 0.4929577 0.3773381), wk = 0.0021505 k( 318) = ( 0.4859155 0.4859155 0.3773381), wk = 0.0021505 k( 319) = ( 0.4788732 0.4788732 0.3773381), wk = 0.0021505 k( 320) = ( 0.4718310 0.4718310 0.3773381), wk = 0.0021505 k( 321) = ( 0.4647887 0.4647887 0.3773381), wk = 0.0021505 k( 322) = ( 0.4577465 0.4577465 0.3773381), wk = 0.0021505 k( 323) = ( 0.4507042 0.4507042 0.3773381), wk = 0.0021505 k( 324) = ( 0.4436620 0.4436620 0.3773381), wk = 0.0021505 k( 325) = ( 0.4366197 0.4366197 0.3773381), wk = 0.0021505 k( 326) = ( 0.4295775 0.4295775 0.3773381), wk = 0.0021505 k( 327) = ( 0.4225352 0.4225352 0.3773381), wk = 0.0021505 k( 328) = ( 0.4154930 0.4154930 0.3773381), wk = 0.0021505 k( 329) = ( 0.4084507 0.4084507 0.3773381), wk = 0.0021505 k( 330) = ( 0.4014085 0.4014084 0.3773381), wk = 0.0021505 k( 331) = ( 0.3943662 0.3943662 0.3773381), wk = 0.0021505 k( 332) = ( 0.3873239 0.3873239 0.3773381), wk = 0.0021505 k( 333) = ( 0.3802817 0.3802817 0.3773381), wk = 0.0021505 k( 334) = ( 0.3732394 0.3732394 0.3773381), wk = 0.0021505 k( 335) = ( 0.3661972 0.3661972 0.3773381), wk = 0.0021505 k( 336) = ( 0.3591549 0.3591549 0.3773381), wk = 0.0021505 k( 337) = ( 0.3521127 0.3521127 0.3773381), wk = 0.0021505 k( 338) = ( 0.3450704 0.3450704 0.3773381), wk = 0.0021505 k( 339) = ( 0.3380282 0.3380282 0.3773381), wk = 0.0021505 k( 340) = ( 0.3309859 0.3309859 0.3773381), wk = 0.0021505 k( 341) = ( 0.3239437 0.3239437 0.3773381), wk = 0.0021505 k( 342) = ( 0.3169014 0.3169014 0.3773381), wk = 0.0021505 k( 343) = ( 0.3098592 0.3098591 0.3773381), wk = 0.0021505 k( 344) = ( 0.3028169 0.3028169 0.3773381), wk = 0.0021505 k( 345) = ( 0.2957746 0.2957746 0.3773381), wk = 0.0021505 k( 346) = ( 0.2887324 0.2887324 0.3773381), wk = 0.0021505 k( 347) = ( 0.2816901 0.2816901 0.3773381), wk = 0.0021505 k( 348) = ( 0.2746479 0.2746479 0.3773381), wk = 0.0021505 k( 349) = ( 0.2676056 0.2676056 0.3773381), wk = 0.0021505 k( 350) = ( 0.2605634 0.2605634 0.3773381), wk = 0.0021505 k( 351) = ( 0.2535211 0.2535211 0.3773381), wk = 0.0021505 k( 352) = ( 0.2464789 0.2464789 0.3773381), wk = 0.0021505 k( 353) = ( 0.2394366 0.2394366 0.3773381), wk = 0.0021505 k( 354) = ( 0.2323944 0.2323944 0.3773381), wk = 0.0021505 k( 355) = ( 0.2253521 0.2253521 0.3773381), wk = 0.0021505 k( 356) = ( 0.2183099 0.2183099 0.3773381), wk = 0.0021505 k( 357) = ( 0.2112676 0.2112676 0.3773381), wk = 0.0021505 k( 358) = ( 0.2042253 0.2042253 0.3773381), wk = 0.0021505 k( 359) = ( 0.1971831 0.1971831 0.3773381), wk = 0.0021505 k( 360) = ( 0.1901409 0.1901408 0.3773381), wk = 0.0021505 k( 361) = ( 0.1830986 0.1830986 0.3773381), wk = 0.0021505 k( 362) = ( 0.1760563 0.1760563 0.3773381), wk = 0.0021505 k( 363) = ( 0.1690141 0.1690141 0.3773381), wk = 0.0021505 k( 364) = ( 0.1619718 0.1619718 0.3773381), wk = 0.0021505 k( 365) = ( 0.1549296 0.1549296 0.3773381), wk = 0.0021505 k( 366) = ( 0.1478873 0.1478873 0.3773381), wk = 0.0021505 k( 367) = ( 0.1408451 0.1408451 0.3773381), wk = 0.0021505 k( 368) = ( 0.1338028 0.1338028 0.3773381), wk = 0.0021505 k( 369) = ( 0.1267606 0.1267606 0.3773381), wk = 0.0021505 k( 370) = ( 0.1197183 0.1197183 0.3773381), wk = 0.0021505 k( 371) = ( 0.1126761 0.1126761 0.3773381), wk = 0.0021505 k( 372) = ( 0.1056338 0.1056338 0.3773381), wk = 0.0021505 k( 373) = ( 0.0985916 0.0985915 0.3773381), wk = 0.0021505 k( 374) = ( 0.0915493 0.0915493 0.3773381), wk = 0.0021505 k( 375) = ( 0.0845070 0.0845070 0.3773381), wk = 0.0021505 k( 376) = ( 0.0774648 0.0774648 0.3773381), wk = 0.0021505 k( 377) = ( 0.0704225 0.0704225 0.3773381), wk = 0.0021505 k( 378) = ( 0.0633803 0.0633803 0.3773381), wk = 0.0021505 k( 379) = ( 0.0563380 0.0563380 0.3773381), wk = 0.0021505 k( 380) = ( 0.0492958 0.0492958 0.3773381), wk = 0.0021505 k( 381) = ( 0.0422535 0.0422535 0.3773381), wk = 0.0021505 k( 382) = ( 0.0352113 0.0352113 0.3773381), wk = 0.0021505 k( 383) = ( 0.0281690 0.0281690 0.3773381), wk = 0.0021505 k( 384) = ( 0.0211268 0.0211268 0.3773381), wk = 0.0021505 k( 385) = ( 0.0140845 0.0140845 0.3773381), wk = 0.0021505 k( 386) = ( 0.0070422 0.0070422 0.3773381), wk = 0.0021505 k( 387) = ( 0.0000000 0.0000000 0.3773381), wk = 0.0021505 k( 388) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 389) = ( 0.0000000 0.5000000 0.0099299), wk = 0.0021505 k( 390) = ( 0.0000000 0.5000000 0.0198599), wk = 0.0021505 k( 391) = ( 0.0000000 0.5000000 0.0297898), wk = 0.0021505 k( 392) = ( 0.0000000 0.5000000 0.0397198), wk = 0.0021505 k( 393) = ( 0.0000000 0.5000000 0.0496498), wk = 0.0021505 k( 394) = ( 0.0000000 0.5000000 0.0595797), wk = 0.0021505 k( 395) = ( 0.0000000 0.5000000 0.0695097), wk = 0.0021505 k( 396) = ( 0.0000000 0.5000000 0.0794396), wk = 0.0021505 k( 397) = ( 0.0000000 0.5000000 0.0893696), wk = 0.0021505 k( 398) = ( 0.0000000 0.5000000 0.0992995), wk = 0.0021505 k( 399) = ( 0.0000000 0.5000000 0.1092295), wk = 0.0021505 k( 400) = ( 0.0000000 0.5000000 0.1191594), wk = 0.0021505 k( 401) = ( 0.0000000 0.5000000 0.1290894), wk = 0.0021505 k( 402) = ( 0.0000000 0.5000000 0.1390193), wk = 0.0021505 k( 403) = ( 0.0000000 0.5000000 0.1489493), wk = 0.0021505 k( 404) = ( 0.0000000 0.5000000 0.1588792), wk = 0.0021505 k( 405) = ( 0.0000000 0.5000000 0.1688092), wk = 0.0021505 k( 406) = ( 0.0000000 0.5000000 0.1787391), wk = 0.0021505 k( 407) = ( 0.0000000 0.5000000 0.1886691), wk = 0.0021505 k( 408) = ( 0.0000000 0.5000000 0.1985990), wk = 0.0021505 k( 409) = ( 0.0000000 0.5000000 0.2085290), wk = 0.0021505 k( 410) = ( 0.0000000 0.5000000 0.2184589), wk = 0.0021505 k( 411) = ( 0.0000000 0.5000000 0.2283889), wk = 0.0021505 k( 412) = ( 0.0000000 0.5000000 0.2383188), wk = 0.0021505 k( 413) = ( 0.0000000 0.5000000 0.2482488), wk = 0.0021505 k( 414) = ( 0.0000000 0.5000000 0.2581787), wk = 0.0021505 k( 415) = ( 0.0000000 0.5000000 0.2681087), wk = 0.0021505 k( 416) = ( 0.0000000 0.5000000 0.2780386), wk = 0.0021505 k( 417) = ( 0.0000000 0.5000000 0.2879686), wk = 0.0021505 k( 418) = ( 0.0000000 0.5000000 0.2978985), wk = 0.0021505 k( 419) = ( 0.0000000 0.5000000 0.3078285), wk = 0.0021505 k( 420) = ( 0.0000000 0.5000000 0.3177584), wk = 0.0021505 k( 421) = ( 0.0000000 0.5000000 0.3276884), wk = 0.0021505 k( 422) = ( 0.0000000 0.5000000 0.3376183), wk = 0.0021505 k( 423) = ( 0.0000000 0.5000000 0.3475483), wk = 0.0021505 k( 424) = ( 0.0000000 0.5000000 0.3574782), wk = 0.0021505 k( 425) = ( 0.0000000 0.5000000 0.3674082), wk = 0.0021505 k( 426) = ( 0.0000000 0.5000000 0.3773381), wk = 0.0021505 k( 427) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 428) = ( 0.5000000 0.5000000 0.0099299), wk = 0.0021505 k( 429) = ( 0.5000000 0.5000000 0.0198599), wk = 0.0021505 k( 430) = ( 0.5000000 0.5000000 0.0297898), wk = 0.0021505 k( 431) = ( 0.5000000 0.5000000 0.0397198), wk = 0.0021505 k( 432) = ( 0.5000000 0.5000000 0.0496498), wk = 0.0021505 k( 433) = ( 0.5000000 0.5000000 0.0595797), wk = 0.0021505 k( 434) = ( 0.5000000 0.5000000 0.0695097), wk = 0.0021505 k( 435) = ( 0.5000000 0.5000000 0.0794396), wk = 0.0021505 k( 436) = ( 0.5000000 0.5000000 0.0893696), wk = 0.0021505 k( 437) = ( 0.5000000 0.5000000 0.0992995), wk = 0.0021505 k( 438) = ( 0.5000000 0.5000000 0.1092295), wk = 0.0021505 k( 439) = ( 0.5000000 0.5000000 0.1191594), wk = 0.0021505 k( 440) = ( 0.5000000 0.5000000 0.1290894), wk = 0.0021505 k( 441) = ( 0.5000000 0.5000000 0.1390193), wk = 0.0021505 k( 442) = ( 0.5000000 0.5000000 0.1489493), wk = 0.0021505 k( 443) = ( 0.5000000 0.5000000 0.1588792), wk = 0.0021505 k( 444) = ( 0.5000000 0.5000000 0.1688092), wk = 0.0021505 k( 445) = ( 0.5000000 0.5000000 0.1787391), wk = 0.0021505 k( 446) = ( 0.5000000 0.5000000 0.1886691), wk = 0.0021505 k( 447) = ( 0.5000000 0.5000000 0.1985990), wk = 0.0021505 k( 448) = ( 0.5000000 0.5000000 0.2085290), wk = 0.0021505 k( 449) = ( 0.5000000 0.5000000 0.2184589), wk = 0.0021505 k( 450) = ( 0.5000000 0.5000000 0.2283889), wk = 0.0021505 k( 451) = ( 0.5000000 0.5000000 0.2383188), wk = 0.0021505 k( 452) = ( 0.5000000 0.5000000 0.2482488), wk = 0.0021505 k( 453) = ( 0.5000000 0.5000000 0.2581787), wk = 0.0021505 k( 454) = ( 0.5000000 0.5000000 0.2681087), wk = 0.0021505 k( 455) = ( 0.5000000 0.5000000 0.2780386), wk = 0.0021505 k( 456) = ( 0.5000000 0.5000000 0.2879686), wk = 0.0021505 k( 457) = ( 0.5000000 0.5000000 0.2978985), wk = 0.0021505 k( 458) = ( 0.5000000 0.5000000 0.3078285), wk = 0.0021505 k( 459) = ( 0.5000000 0.5000000 0.3177584), wk = 0.0021505 k( 460) = ( 0.5000000 0.5000000 0.3276884), wk = 0.0021505 k( 461) = ( 0.5000000 0.5000000 0.3376183), wk = 0.0021505 k( 462) = ( 0.5000000 0.5000000 0.3475483), wk = 0.0021505 k( 463) = ( 0.5000000 0.5000000 0.3574782), wk = 0.0021505 k( 464) = ( 0.5000000 0.5000000 0.3674082), wk = 0.0021505 k( 465) = ( 0.5000000 0.5000000 0.3773381), wk = 0.0021505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0000000 0.0100000 0.0000000), wk = 0.0021505 k( 3) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0021505 k( 4) = ( 0.0000000 0.0300000 0.0000000), wk = 0.0021505 k( 5) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0021505 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0021505 k( 8) = ( 0.0000000 0.0700000 0.0000000), wk = 0.0021505 k( 9) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0021505 k( 10) = ( 0.0000000 0.0900000 0.0000000), wk = 0.0021505 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0000000 0.1100000 0.0000000), wk = 0.0021505 k( 13) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0021505 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0021505 k( 15) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0021505 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0021505 k( 17) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0021505 k( 18) = ( 0.0000000 0.1700000 0.0000000), wk = 0.0021505 k( 19) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0021505 k( 20) = ( 0.0000000 0.1900000 0.0000000), wk = 0.0021505 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0021505 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0021505 k( 23) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0021505 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0021505 k( 25) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0021505 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0021505 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0021505 k( 28) = ( 0.0000000 0.2700000 0.0000000), wk = 0.0021505 k( 29) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0021505 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0021505 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0021505 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0021505 k( 33) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0021505 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0021505 k( 35) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0021505 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0021505 k( 37) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0021505 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0021505 k( 39) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0021505 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0021505 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0021505 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0021505 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0021505 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0021505 k( 45) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0021505 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0021505 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0021505 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0021505 k( 49) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0021505 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0021505 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 53) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0021505 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0021505 k( 55) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0021505 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0021505 k( 57) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0021505 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0021505 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0021505 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0021505 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0021505 k( 62) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0021505 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0021505 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0021505 k( 65) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0021505 k( 66) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0021505 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0021505 k( 68) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0021505 k( 69) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0021505 k( 70) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0021505 k( 71) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0021505 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0021505 k( 73) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0021505 k( 74) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0021505 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0021505 k( 76) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0021505 k( 77) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0021505 k( 78) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0021505 k( 79) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0021505 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0021505 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0021505 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0021505 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0021505 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0021505 k( 85) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0021505 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0021505 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0021505 k( 88) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0021505 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0021505 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0021505 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0021505 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0021505 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0021505 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0021505 k( 95) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0021505 k( 96) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0021505 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0021505 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0021505 k( 99) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0021505 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0021505 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0021505 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021505 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021505 k( 104) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0021505 k( 105) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0021505 k( 106) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0021505 k( 107) = ( 0.4718310 0.4718310 0.0000000), wk = 0.0021505 k( 108) = ( 0.4647887 0.4647887 0.0000000), wk = 0.0021505 k( 109) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0021505 k( 110) = ( 0.4507042 0.4507042 0.0000000), wk = 0.0021505 k( 111) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0021505 k( 112) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0021505 k( 113) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0021505 k( 114) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0021505 k( 115) = ( 0.4154930 0.4154930 0.0000000), wk = 0.0021505 k( 116) = ( 0.4084507 0.4084507 0.0000000), wk = 0.0021505 k( 117) = ( 0.4014085 0.4014085 0.0000000), wk = 0.0021505 k( 118) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0021505 k( 119) = ( 0.3873239 0.3873239 0.0000000), wk = 0.0021505 k( 120) = ( 0.3802817 0.3802817 0.0000000), wk = 0.0021505 k( 121) = ( 0.3732394 0.3732394 0.0000000), wk = 0.0021505 k( 122) = ( 0.3661972 0.3661972 0.0000000), wk = 0.0021505 k( 123) = ( 0.3591549 0.3591549 0.0000000), wk = 0.0021505 k( 124) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0021505 k( 125) = ( 0.3450704 0.3450704 0.0000000), wk = 0.0021505 k( 126) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0021505 k( 127) = ( 0.3309859 0.3309859 0.0000000), wk = 0.0021505 k( 128) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0021505 k( 129) = ( 0.3169014 0.3169014 0.0000000), wk = 0.0021505 k( 130) = ( 0.3098592 0.3098592 -0.0000000), wk = 0.0021505 k( 131) = ( 0.3028169 0.3028169 0.0000000), wk = 0.0021505 k( 132) = ( 0.2957746 0.2957746 0.0000000), wk = 0.0021505 k( 133) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0021505 k( 134) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0021505 k( 135) = ( 0.2746479 0.2746479 0.0000000), wk = 0.0021505 k( 136) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0021505 k( 137) = ( 0.2605634 0.2605634 0.0000000), wk = 0.0021505 k( 138) = ( 0.2535211 0.2535211 0.0000000), wk = 0.0021505 k( 139) = ( 0.2464789 0.2464789 0.0000000), wk = 0.0021505 k( 140) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0021505 k( 141) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0021505 k( 142) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0021505 k( 143) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0021505 k( 144) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0021505 k( 145) = ( 0.2042253 0.2042253 0.0000000), wk = 0.0021505 k( 146) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0021505 k( 147) = ( 0.1901409 0.1901409 0.0000000), wk = 0.0021505 k( 148) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0021505 k( 149) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0021505 k( 150) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0021505 k( 151) = ( 0.1619718 0.1619718 0.0000000), wk = 0.0021505 k( 152) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0021505 k( 153) = ( 0.1478873 0.1478873 0.0000000), wk = 0.0021505 k( 154) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0021505 k( 155) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0021505 k( 156) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0021505 k( 157) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0021505 k( 158) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0021505 k( 159) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0021505 k( 160) = ( 0.0985916 0.0985916 -0.0000000), wk = 0.0021505 k( 161) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0021505 k( 162) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0021505 k( 163) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0021505 k( 164) = ( 0.0704225 0.0704225 0.0000000), wk = 0.0021505 k( 165) = ( 0.0633803 0.0633803 0.0000000), wk = 0.0021505 k( 166) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0021505 k( 167) = ( 0.0492958 0.0492958 0.0000000), wk = 0.0021505 k( 168) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0021505 k( 169) = ( 0.0352113 0.0352113 0.0000000), wk = 0.0021505 k( 170) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0021505 k( 171) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0021505 k( 172) = ( 0.0140845 0.0140845 0.0000000), wk = 0.0021505 k( 173) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0021505 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 176) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0021505 k( 177) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0021505 k( 178) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0021505 k( 179) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0021505 k( 180) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0021505 k( 181) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0021505 k( 182) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0021505 k( 183) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0021505 k( 184) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0021505 k( 185) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0021505 k( 186) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0021505 k( 187) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0021505 k( 188) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0021505 k( 189) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0021505 k( 190) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0021505 k( 191) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0021505 k( 192) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0021505 k( 193) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0021505 k( 194) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021505 k( 195) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0021505 k( 198) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0021505 k( 199) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0021505 k( 200) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0021505 k( 211) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0021505 k( 212) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0021505 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 215) = ( 0.0000000 0.0100000 0.5000000), wk = 0.0021505 k( 216) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0021505 k( 217) = ( 0.0000000 0.0300000 0.5000000), wk = 0.0021505 k( 218) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0021505 k( 219) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0021505 k( 220) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0021505 k( 221) = ( 0.0000000 0.0700000 0.5000000), wk = 0.0021505 k( 222) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0021505 k( 223) = ( 0.0000000 0.0900000 0.5000000), wk = 0.0021505 k( 224) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0021505 k( 225) = ( 0.0000000 0.1100000 0.5000000), wk = 0.0021505 k( 226) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0021505 k( 227) = ( 0.0000000 0.1300000 0.5000000), wk = 0.0021505 k( 228) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0021505 k( 229) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0021505 k( 230) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0021505 k( 231) = ( 0.0000000 0.1700000 0.5000000), wk = 0.0021505 k( 232) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0021505 k( 233) = ( 0.0000000 0.1900000 0.5000000), wk = 0.0021505 k( 234) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0021505 k( 235) = ( 0.0000000 0.2100000 0.5000000), wk = 0.0021505 k( 236) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0021505 k( 237) = ( 0.0000000 0.2300000 0.5000000), wk = 0.0021505 k( 238) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0021505 k( 239) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0021505 k( 240) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0021505 k( 241) = ( 0.0000000 0.2700000 0.5000000), wk = 0.0021505 k( 242) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0021505 k( 243) = ( 0.0000000 0.2900000 0.5000000), wk = 0.0021505 k( 244) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0021505 k( 245) = ( 0.0000000 0.3100000 0.5000000), wk = 0.0021505 k( 246) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0021505 k( 247) = ( 0.0000000 0.3300000 0.5000000), wk = 0.0021505 k( 248) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0021505 k( 249) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0021505 k( 250) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0021505 k( 251) = ( 0.0000000 0.3700000 0.5000000), wk = 0.0021505 k( 252) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0021505 k( 253) = ( 0.0000000 0.3900000 0.5000000), wk = 0.0021505 k( 254) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0021505 k( 255) = ( 0.0000000 0.4100000 0.5000000), wk = 0.0021505 k( 256) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0021505 k( 257) = ( 0.0000000 0.4300000 0.5000000), wk = 0.0021505 k( 258) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0021505 k( 259) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0021505 k( 260) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0021505 k( 261) = ( 0.0000000 0.4700000 0.5000000), wk = 0.0021505 k( 262) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0021505 k( 263) = ( 0.0000000 0.4900000 0.5000000), wk = 0.0021505 k( 264) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021505 k( 265) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021505 k( 266) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0021505 k( 267) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0021505 k( 268) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0021505 k( 269) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0021505 k( 270) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0021505 k( 271) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0021505 k( 272) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0021505 k( 273) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0021505 k( 274) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0021505 k( 275) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0021505 k( 276) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0021505 k( 277) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0021505 k( 278) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0021505 k( 279) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0021505 k( 280) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0021505 k( 281) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0021505 k( 282) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0021505 k( 283) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0021505 k( 284) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0021505 k( 285) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0021505 k( 286) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0021505 k( 287) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0021505 k( 288) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0021505 k( 289) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0021505 k( 290) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0021505 k( 291) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0021505 k( 292) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0021505 k( 293) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0021505 k( 294) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0021505 k( 295) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0021505 k( 296) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0021505 k( 297) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0021505 k( 298) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0021505 k( 299) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0021505 k( 300) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0021505 k( 301) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0021505 k( 302) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0021505 k( 303) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0021505 k( 304) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0021505 k( 305) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0021505 k( 306) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0021505 k( 307) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0021505 k( 308) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0021505 k( 309) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0021505 k( 310) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0021505 k( 311) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0021505 k( 312) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0021505 k( 313) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0021505 k( 314) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0021505 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021505 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021505 k( 317) = ( 0.4929577 0.4929577 0.5000000), wk = 0.0021505 k( 318) = ( 0.4859155 0.4859155 0.5000000), wk = 0.0021505 k( 319) = ( 0.4788732 0.4788732 0.5000000), wk = 0.0021505 k( 320) = ( 0.4718310 0.4718310 0.5000000), wk = 0.0021505 k( 321) = ( 0.4647887 0.4647887 0.5000000), wk = 0.0021505 k( 322) = ( 0.4577465 0.4577465 0.5000000), wk = 0.0021505 k( 323) = ( 0.4507042 0.4507042 0.5000000), wk = 0.0021505 k( 324) = ( 0.4436620 0.4436620 0.5000000), wk = 0.0021505 k( 325) = ( 0.4366197 0.4366197 0.5000000), wk = 0.0021505 k( 326) = ( 0.4295775 0.4295775 0.5000000), wk = 0.0021505 k( 327) = ( 0.4225352 0.4225352 0.5000000), wk = 0.0021505 k( 328) = ( 0.4154930 0.4154930 0.5000000), wk = 0.0021505 k( 329) = ( 0.4084507 0.4084507 0.5000000), wk = 0.0021505 k( 330) = ( 0.4014085 0.4014085 0.5000000), wk = 0.0021505 k( 331) = ( 0.3943662 0.3943662 0.5000000), wk = 0.0021505 k( 332) = ( 0.3873239 0.3873239 0.5000000), wk = 0.0021505 k( 333) = ( 0.3802817 0.3802817 0.5000000), wk = 0.0021505 k( 334) = ( 0.3732394 0.3732394 0.5000000), wk = 0.0021505 k( 335) = ( 0.3661972 0.3661972 0.5000000), wk = 0.0021505 k( 336) = ( 0.3591549 0.3591549 0.5000000), wk = 0.0021505 k( 337) = ( 0.3521127 0.3521127 0.5000000), wk = 0.0021505 k( 338) = ( 0.3450704 0.3450704 0.5000000), wk = 0.0021505 k( 339) = ( 0.3380282 0.3380282 0.5000000), wk = 0.0021505 k( 340) = ( 0.3309859 0.3309859 0.5000000), wk = 0.0021505 k( 341) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0021505 k( 342) = ( 0.3169014 0.3169014 0.5000000), wk = 0.0021505 k( 343) = ( 0.3098592 0.3098592 0.5000000), wk = 0.0021505 k( 344) = ( 0.3028169 0.3028169 0.5000000), wk = 0.0021505 k( 345) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0021505 k( 346) = ( 0.2887324 0.2887324 0.5000000), wk = 0.0021505 k( 347) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0021505 k( 348) = ( 0.2746479 0.2746479 0.5000000), wk = 0.0021505 k( 349) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0021505 k( 350) = ( 0.2605634 0.2605634 0.5000000), wk = 0.0021505 k( 351) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0021505 k( 352) = ( 0.2464789 0.2464789 0.5000000), wk = 0.0021505 k( 353) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0021505 k( 354) = ( 0.2323944 0.2323944 0.5000000), wk = 0.0021505 k( 355) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0021505 k( 356) = ( 0.2183099 0.2183099 0.5000000), wk = 0.0021505 k( 357) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0021505 k( 358) = ( 0.2042253 0.2042253 0.5000000), wk = 0.0021505 k( 359) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0021505 k( 360) = ( 0.1901409 0.1901409 0.5000000), wk = 0.0021505 k( 361) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0021505 k( 362) = ( 0.1760563 0.1760563 0.5000000), wk = 0.0021505 k( 363) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0021505 k( 364) = ( 0.1619718 0.1619718 0.5000000), wk = 0.0021505 k( 365) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0021505 k( 366) = ( 0.1478873 0.1478873 0.5000000), wk = 0.0021505 k( 367) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0021505 k( 368) = ( 0.1338028 0.1338028 0.5000000), wk = 0.0021505 k( 369) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0021505 k( 370) = ( 0.1197183 0.1197183 0.5000000), wk = 0.0021505 k( 371) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0021505 k( 372) = ( 0.1056338 0.1056338 0.5000000), wk = 0.0021505 k( 373) = ( 0.0985916 0.0985916 0.5000000), wk = 0.0021505 k( 374) = ( 0.0915493 0.0915493 0.5000000), wk = 0.0021505 k( 375) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0021505 k( 376) = ( 0.0774648 0.0774648 0.5000000), wk = 0.0021505 k( 377) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0021505 k( 378) = ( 0.0633803 0.0633803 0.5000000), wk = 0.0021505 k( 379) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0021505 k( 380) = ( 0.0492958 0.0492958 0.5000000), wk = 0.0021505 k( 381) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0021505 k( 382) = ( 0.0352113 0.0352113 0.5000000), wk = 0.0021505 k( 383) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0021505 k( 384) = ( 0.0211268 0.0211268 0.5000000), wk = 0.0021505 k( 385) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0021505 k( 386) = ( 0.0070422 0.0070422 0.5000000), wk = 0.0021505 k( 387) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 388) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021505 k( 389) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0021505 k( 390) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0021505 k( 391) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0021505 k( 392) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0021505 k( 393) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0021505 k( 394) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0021505 k( 395) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0021505 k( 396) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0021505 k( 397) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0021505 k( 398) = ( 0.0000000 0.5000000 0.1315789), wk = 0.0021505 k( 399) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0021505 k( 400) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0021505 k( 401) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0021505 k( 402) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0021505 k( 403) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0021505 k( 404) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0021505 k( 405) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0021505 k( 406) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0021505 k( 407) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021505 k( 408) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0021505 k( 409) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0021505 k( 410) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0021505 k( 411) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0021505 k( 412) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0021505 k( 413) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0021505 k( 414) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0021505 k( 415) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0021505 k( 416) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0021505 k( 417) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0021505 k( 418) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0021505 k( 419) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0021505 k( 420) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0021505 k( 421) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0021505 k( 422) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0021505 k( 423) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0021505 k( 424) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0021505 k( 425) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0021505 k( 426) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021505 k( 427) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021505 k( 428) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0021505 k( 429) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0021505 k( 430) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0021505 k( 431) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0021505 k( 432) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0021505 k( 433) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0021505 k( 434) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0021505 k( 435) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0021505 k( 436) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0021505 k( 437) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0021505 k( 438) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0021505 k( 439) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0021505 k( 440) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0021505 k( 441) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0021505 k( 442) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0021505 k( 443) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0021505 k( 444) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0021505 k( 445) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0021505 k( 446) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021505 k( 447) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0021505 k( 448) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0021505 k( 449) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0021505 k( 450) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0021505 k( 451) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0021505 k( 452) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0021505 k( 453) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0021505 k( 454) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0021505 k( 455) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0021505 k( 456) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0021505 k( 457) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0021505 k( 458) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0021505 k( 459) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0021505 k( 460) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0021505 k( 461) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0021505 k( 462) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0021505 k( 463) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0021505 k( 464) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0021505 k( 465) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021505 Dense grid: 39915 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 13323 G-vectors FFT dimensions: ( 27, 27, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 104, 24) NL pseudopotentials 0.04 Mb ( 52, 50) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1111) G-vector shells 0.00 Mb ( 537) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 104, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 50, 2, 24) The potential is recalculated from file : ./ZrHg.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.8 secs Computing kpt #: 13 total cpu time spent up to now is 2.9 secs Computing kpt #: 14 total cpu time spent up to now is 3.0 secs Computing kpt #: 15 total cpu time spent up to now is 3.1 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.4 secs Computing kpt #: 24 total cpu time spent up to now is 4.5 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.8 secs Computing kpt #: 27 total cpu time spent up to now is 4.9 secs Computing kpt #: 28 total cpu time spent up to now is 5.0 secs Computing kpt #: 29 total cpu time spent up to now is 5.1 secs Computing kpt #: 30 total cpu time spent up to now is 5.2 secs Computing kpt #: 31 total cpu time spent up to now is 5.3 secs Computing kpt #: 32 total cpu time spent up to now is 5.5 secs Computing kpt #: 33 total cpu time spent up to now is 5.6 secs Computing kpt #: 34 total cpu time spent up to now is 5.7 secs Computing kpt #: 35 total cpu time spent up to now is 5.8 secs Computing kpt #: 36 total cpu time spent up to now is 5.9 secs Computing kpt #: 37 total cpu time spent up to now is 6.1 secs Computing kpt #: 38 total cpu time spent up to now is 6.2 secs Computing kpt #: 39 total cpu time spent up to now is 6.3 secs Computing kpt #: 40 total cpu time spent up to now is 6.4 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.9 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.2 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.8 secs Computing kpt #: 52 total cpu time spent up to now is 7.8 secs Computing kpt #: 53 total cpu time spent up to now is 7.9 secs Computing kpt #: 54 total cpu time spent up to now is 8.1 secs Computing kpt #: 55 total cpu time spent up to now is 8.2 secs Computing kpt #: 56 total cpu time spent up to now is 8.3 secs Computing kpt #: 57 total cpu time spent up to now is 8.4 secs Computing kpt #: 58 total cpu time spent up to now is 8.5 secs Computing kpt #: 59 total cpu time spent up to now is 8.6 secs Computing kpt #: 60 total cpu time spent up to now is 8.7 secs Computing kpt #: 61 total cpu time spent up to now is 8.8 secs Computing kpt #: 62 total cpu time spent up to now is 8.9 secs Computing kpt #: 63 total cpu time spent up to now is 9.1 secs Computing kpt #: 64 total cpu time spent up to now is 9.2 secs Computing kpt #: 65 total cpu time spent up to now is 9.3 secs Computing kpt #: 66 total cpu time spent up to now is 9.4 secs Computing kpt #: 67 total cpu time spent up to now is 9.5 secs Computing kpt #: 68 total cpu time spent up to now is 9.6 secs Computing kpt #: 69 total cpu time spent up to now is 9.8 secs Computing kpt #: 70 total cpu time spent up to now is 9.9 secs Computing kpt #: 71 total cpu time spent up to now is 10.0 secs Computing kpt #: 72 total cpu time spent up to now is 10.1 secs Computing kpt #: 73 total cpu time spent up to now is 10.2 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.1 secs Computing kpt #: 81 total cpu time spent up to now is 11.2 secs Computing kpt #: 82 total cpu time spent up to now is 11.3 secs Computing kpt #: 83 total cpu time spent up to now is 11.5 secs Computing kpt #: 84 total cpu time spent up to now is 11.6 secs Computing kpt #: 85 total cpu time spent up to now is 11.7 secs Computing kpt #: 86 total cpu time spent up to now is 11.9 secs Computing kpt #: 87 total cpu time spent up to now is 12.0 secs Computing kpt #: 88 total cpu time spent up to now is 12.2 secs Computing kpt #: 89 total cpu time spent up to now is 12.4 secs Computing kpt #: 90 total cpu time spent up to now is 12.6 secs Computing kpt #: 91 total cpu time spent up to now is 12.8 secs Computing kpt #: 92 total cpu time spent up to now is 13.0 secs Computing kpt #: 93 total cpu time spent up to now is 13.1 secs Computing kpt #: 94 total cpu time spent up to now is 13.3 secs Computing kpt #: 95 total cpu time spent up to now is 13.5 secs Computing kpt #: 96 total cpu time spent up to now is 13.6 secs Computing kpt #: 97 total cpu time spent up to now is 13.8 secs Computing kpt #: 98 total cpu time spent up to now is 13.9 secs Computing kpt #: 99 total cpu time spent up to now is 14.0 secs Computing kpt #: 100 total cpu time spent up to now is 14.1 secs Computing kpt #: 101 total cpu time spent up to now is 14.3 secs Computing kpt #: 102 total cpu time spent up to now is 14.4 secs Computing kpt #: 103 total cpu time spent up to now is 14.5 secs Computing kpt #: 104 total cpu time spent up to now is 14.6 secs Computing kpt #: 105 total cpu time spent up to now is 14.7 secs Computing kpt #: 106 total cpu time spent up to now is 14.9 secs Computing kpt #: 107 total cpu time spent up to now is 15.0 secs Computing kpt #: 108 total cpu time spent up to now is 15.2 secs Computing kpt #: 109 total cpu time spent up to now is 15.3 secs Computing kpt #: 110 total cpu time spent up to now is 15.5 secs Computing kpt #: 111 total cpu time spent up to now is 15.6 secs Computing kpt #: 112 total cpu time spent up to now is 15.8 secs Computing kpt #: 113 total cpu time spent up to now is 16.0 secs Computing kpt #: 114 total cpu time spent up to now is 16.2 secs Computing kpt #: 115 total cpu time spent up to now is 16.4 secs Computing kpt #: 116 total cpu time spent up to now is 16.6 secs Computing kpt #: 117 total cpu time spent up to now is 16.7 secs Computing kpt #: 118 total cpu time spent up to now is 16.9 secs Computing kpt #: 119 total cpu time spent up to now is 17.1 secs Computing kpt #: 120 total cpu time spent up to now is 17.2 secs Computing kpt #: 121 total cpu time spent up to now is 17.4 secs Computing kpt #: 122 total cpu time spent up to now is 17.5 secs Computing kpt #: 123 total cpu time spent up to now is 17.7 secs Computing kpt #: 124 total cpu time spent up to now is 17.9 secs Computing kpt #: 125 total cpu time spent up to now is 18.0 secs Computing kpt #: 126 total cpu time spent up to now is 18.2 secs Computing kpt #: 127 total cpu time spent up to now is 18.4 secs Computing kpt #: 128 total cpu time spent up to now is 18.6 secs Computing kpt #: 129 total cpu time spent up to now is 18.7 secs Computing kpt #: 130 total cpu time spent up to now is 18.9 secs Computing kpt #: 131 total cpu time spent up to now is 19.1 secs Computing kpt #: 132 total cpu time spent up to now is 19.2 secs Computing kpt #: 133 total cpu time spent up to now is 19.4 secs Computing kpt #: 134 total cpu time spent up to now is 19.6 secs Computing kpt #: 135 total cpu time spent up to now is 19.8 secs Computing kpt #: 136 total cpu time spent up to now is 20.0 secs Computing kpt #: 137 total cpu time spent up to now is 20.2 secs Computing kpt #: 138 total cpu time spent up to now is 20.3 secs Computing kpt #: 139 total cpu time spent up to now is 20.5 secs Computing kpt #: 140 total cpu time spent up to now is 20.7 secs Computing kpt #: 141 total cpu time spent up to now is 20.9 secs Computing kpt #: 142 total cpu time spent up to now is 21.0 secs Computing kpt #: 143 total cpu time spent up to now is 21.2 secs Computing kpt #: 144 total cpu time spent up to now is 21.3 secs Computing kpt #: 145 total cpu time spent up to now is 21.5 secs Computing kpt #: 146 total cpu time spent up to now is 21.6 secs Computing kpt #: 147 total cpu time spent up to now is 21.8 secs Computing kpt #: 148 total cpu time spent up to now is 21.9 secs Computing kpt #: 149 total cpu time spent up to now is 22.0 secs Computing kpt #: 150 total cpu time spent up to now is 22.2 secs Computing kpt #: 151 total cpu time spent up to now is 22.4 secs Computing kpt #: 152 total cpu time spent up to now is 22.5 secs Computing kpt #: 153 total cpu time spent up to now is 22.7 secs Computing kpt #: 154 total cpu time spent up to now is 22.9 secs Computing kpt #: 155 total cpu time spent up to now is 23.0 secs Computing kpt #: 156 total cpu time spent up to now is 23.1 secs Computing kpt #: 157 total cpu time spent up to now is 23.3 secs Computing kpt #: 158 total cpu time spent up to now is 23.4 secs Computing kpt #: 159 total cpu time spent up to now is 23.5 secs Computing kpt #: 160 total cpu time spent up to now is 23.6 secs Computing kpt #: 161 total cpu time spent up to now is 23.8 secs Computing kpt #: 162 total cpu time spent up to now is 23.9 secs Computing kpt #: 163 total cpu time spent up to now is 24.0 secs Computing kpt #: 164 total cpu time spent up to now is 24.1 secs Computing kpt #: 165 total cpu time spent up to now is 24.2 secs Computing kpt #: 166 total cpu time spent up to now is 24.3 secs Computing kpt #: 167 total cpu time spent up to now is 24.4 secs Computing kpt #: 168 total cpu time spent up to now is 24.6 secs Computing kpt #: 169 total cpu time spent up to now is 24.7 secs Computing kpt #: 170 total cpu time spent up to now is 24.8 secs Computing kpt #: 171 total cpu time spent up to now is 24.9 secs Computing kpt #: 172 total cpu time spent up to now is 25.0 secs Computing kpt #: 173 total cpu time spent up to now is 25.1 secs Computing kpt #: 174 total cpu time spent up to now is 25.2 secs Computing kpt #: 175 total cpu time spent up to now is 25.4 secs Computing kpt #: 176 total cpu time spent up to now is 25.5 secs Computing kpt #: 177 total cpu time spent up to now is 25.6 secs Computing kpt #: 178 total cpu time spent up to now is 25.7 secs Computing kpt #: 179 total cpu time spent up to now is 25.8 secs Computing kpt #: 180 total cpu time spent up to now is 25.9 secs Computing kpt #: 181 total cpu time spent up to now is 26.0 secs Computing kpt #: 182 total cpu time spent up to now is 26.2 secs Computing kpt #: 183 total cpu time spent up to now is 26.3 secs Computing kpt #: 184 total cpu time spent up to now is 26.4 secs Computing kpt #: 185 total cpu time spent up to now is 26.5 secs Computing kpt #: 186 total cpu time spent up to now is 26.6 secs Computing kpt #: 187 total cpu time spent up to now is 26.7 secs Computing kpt #: 188 total cpu time spent up to now is 26.8 secs Computing kpt #: 189 total cpu time spent up to now is 27.0 secs Computing kpt #: 190 total cpu time spent up to now is 27.1 secs Computing kpt #: 191 total cpu time spent up to now is 27.2 secs Computing kpt #: 192 total cpu time spent up to now is 27.3 secs Computing kpt #: 193 total cpu time spent up to now is 27.4 secs Computing kpt #: 194 total cpu time spent up to now is 27.5 secs Computing kpt #: 195 total cpu time spent up to now is 27.6 secs Computing kpt #: 196 total cpu time spent up to now is 27.7 secs Computing kpt #: 197 total cpu time spent up to now is 27.8 secs Computing kpt #: 198 total cpu time spent up to now is 28.0 secs Computing kpt #: 199 total cpu time spent up to now is 28.1 secs Computing kpt #: 200 total cpu time spent up to now is 28.2 secs Computing kpt #: 201 total cpu time spent up to now is 28.3 secs Computing kpt #: 202 total cpu time spent up to now is 28.4 secs Computing kpt #: 203 total cpu time spent up to now is 28.5 secs Computing kpt #: 204 total cpu time spent up to now is 28.6 secs Computing kpt #: 205 total cpu time spent up to now is 28.7 secs Computing kpt #: 206 total cpu time spent up to now is 28.8 secs Computing kpt #: 207 total cpu time spent up to now is 28.9 secs Computing kpt #: 208 total cpu time spent up to now is 29.1 secs Computing kpt #: 209 total cpu time spent up to now is 29.2 secs Computing kpt #: 210 total cpu time spent up to now is 29.3 secs Computing kpt #: 211 total cpu time spent up to now is 29.4 secs Computing kpt #: 212 total cpu time spent up to now is 29.5 secs Computing kpt #: 213 total cpu time spent up to now is 29.6 secs Computing kpt #: 214 total cpu time spent up to now is 29.7 secs Computing kpt #: 215 total cpu time spent up to now is 29.8 secs Computing kpt #: 216 total cpu time spent up to now is 29.9 secs Computing kpt #: 217 total cpu time spent up to now is 30.0 secs Computing kpt #: 218 total cpu time spent up to now is 30.1 secs Computing kpt #: 219 total cpu time spent up to now is 30.2 secs Computing kpt #: 220 total cpu time spent up to now is 30.3 secs Computing kpt #: 221 total cpu time spent up to now is 30.4 secs Computing kpt #: 222 total cpu time spent up to now is 30.5 secs Computing kpt #: 223 total cpu time spent up to now is 30.6 secs Computing kpt #: 224 total cpu time spent up to now is 30.7 secs Computing kpt #: 225 total cpu time spent up to now is 30.8 secs Computing kpt #: 226 total cpu time spent up to now is 31.0 secs Computing kpt #: 227 total cpu time spent up to now is 31.1 secs Computing kpt #: 228 total cpu time spent up to now is 31.2 secs Computing kpt #: 229 total cpu time spent up to now is 31.3 secs Computing kpt #: 230 total cpu time spent up to now is 31.4 secs Computing kpt #: 231 total cpu time spent up to now is 31.5 secs Computing kpt #: 232 total cpu time spent up to now is 31.6 secs Computing kpt #: 233 total cpu time spent up to now is 31.8 secs Computing kpt #: 234 total cpu time spent up to now is 31.9 secs Computing kpt #: 235 total cpu time spent up to now is 32.0 secs Computing kpt #: 236 total cpu time spent up to now is 32.1 secs Computing kpt #: 237 total cpu time spent up to now is 32.2 secs Computing kpt #: 238 total cpu time spent up to now is 32.3 secs Computing kpt #: 239 total cpu time spent up to now is 32.4 secs Computing kpt #: 240 total cpu time spent up to now is 32.6 secs Computing kpt #: 241 total cpu time spent up to now is 32.7 secs Computing kpt #: 242 total cpu time spent up to now is 32.8 secs Computing kpt #: 243 total cpu time spent up to now is 32.9 secs Computing kpt #: 244 total cpu time spent up to now is 33.0 secs Computing kpt #: 245 total cpu time spent up to now is 33.1 secs Computing kpt #: 246 total cpu time spent up to now is 33.2 secs Computing kpt #: 247 total cpu time spent up to now is 33.4 secs Computing kpt #: 248 total cpu time spent up to now is 33.5 secs Computing kpt #: 249 total cpu time spent up to now is 33.6 secs Computing kpt #: 250 total cpu time spent up to now is 33.7 secs Computing kpt #: 251 total cpu time spent up to now is 33.8 secs Computing kpt #: 252 total cpu time spent up to now is 33.9 secs Computing kpt #: 253 total cpu time spent up to now is 34.1 secs Computing kpt #: 254 total cpu time spent up to now is 34.2 secs Computing kpt #: 255 total cpu time spent up to now is 34.4 secs Computing kpt #: 256 total cpu time spent up to now is 34.5 secs Computing kpt #: 257 total cpu time spent up to now is 34.6 secs Computing kpt #: 258 total cpu time spent up to now is 34.7 secs Computing kpt #: 259 total cpu time spent up to now is 34.8 secs Computing kpt #: 260 total cpu time spent up to now is 34.9 secs Computing kpt #: 261 total cpu time spent up to now is 35.1 secs Computing kpt #: 262 total cpu time spent up to now is 35.2 secs Computing kpt #: 263 total cpu time spent up to now is 35.3 secs Computing kpt #: 264 total cpu time spent up to now is 35.4 secs Computing kpt #: 265 total cpu time spent up to now is 35.6 secs Computing kpt #: 266 total cpu time spent up to now is 35.7 secs Computing kpt #: 267 total cpu time spent up to now is 35.8 secs Computing kpt #: 268 total cpu time spent up to now is 35.9 secs Computing kpt #: 269 total cpu time spent up to now is 36.0 secs Computing kpt #: 270 total cpu time spent up to now is 36.1 secs Computing kpt #: 271 total cpu time spent up to now is 36.3 secs Computing kpt #: 272 total cpu time spent up to now is 36.4 secs Computing kpt #: 273 total cpu time spent up to now is 36.5 secs Computing kpt #: 274 total cpu time spent up to now is 36.6 secs Computing kpt #: 275 total cpu time spent up to now is 36.7 secs Computing kpt #: 276 total cpu time spent up to now is 36.8 secs Computing kpt #: 277 total cpu time spent up to now is 37.0 secs Computing kpt #: 278 total cpu time spent up to now is 37.1 secs Computing kpt #: 279 total cpu time spent up to now is 37.2 secs Computing kpt #: 280 total cpu time spent up to now is 37.3 secs Computing kpt #: 281 total cpu time spent up to now is 37.5 secs Computing kpt #: 282 total cpu time spent up to now is 37.6 secs Computing kpt #: 283 total cpu time spent up to now is 37.7 secs Computing kpt #: 284 total cpu time spent up to now is 37.9 secs Computing kpt #: 285 total cpu time spent up to now is 38.1 secs Computing kpt #: 286 total cpu time spent up to now is 38.3 secs Computing kpt #: 287 total cpu time spent up to now is 38.4 secs Computing kpt #: 288 total cpu time spent up to now is 38.6 secs Computing kpt #: 289 total cpu time spent up to now is 38.7 secs Computing kpt #: 290 total cpu time spent up to now is 38.9 secs Computing kpt #: 291 total cpu time spent up to now is 39.0 secs Computing kpt #: 292 total cpu time spent up to now is 39.2 secs Computing kpt #: 293 total cpu time spent up to now is 39.3 secs Computing kpt #: 294 total cpu time spent up to now is 39.5 secs Computing kpt #: 295 total cpu time spent up to now is 39.6 secs Computing kpt #: 296 total cpu time spent up to now is 39.8 secs Computing kpt #: 297 total cpu time spent up to now is 40.0 secs Computing kpt #: 298 total cpu time spent up to now is 40.1 secs Computing kpt #: 299 total cpu time spent up to now is 40.3 secs Computing kpt #: 300 total cpu time spent up to now is 40.5 secs Computing kpt #: 301 total cpu time spent up to now is 40.7 secs Computing kpt #: 302 total cpu time spent up to now is 40.8 secs Computing kpt #: 303 total cpu time spent up to now is 41.0 secs Computing kpt #: 304 total cpu time spent up to now is 41.2 secs Computing kpt #: 305 total cpu time spent up to now is 41.4 secs Computing kpt #: 306 total cpu time spent up to now is 41.6 secs Computing kpt #: 307 total cpu time spent up to now is 41.8 secs Computing kpt #: 308 total cpu time spent up to now is 42.0 secs Computing kpt #: 309 total cpu time spent up to now is 42.2 secs Computing kpt #: 310 total cpu time spent up to now is 42.5 secs Computing kpt #: 311 total cpu time spent up to now is 42.7 secs Computing kpt #: 312 total cpu time spent up to now is 42.9 secs Computing kpt #: 313 total cpu time spent up to now is 43.3 secs Computing kpt #: 314 total cpu time spent up to now is 43.6 secs Computing kpt #: 315 total cpu time spent up to now is 43.8 secs Computing kpt #: 316 total cpu time spent up to now is 44.1 secs Computing kpt #: 317 total cpu time spent up to now is 44.4 secs Computing kpt #: 318 total cpu time spent up to now is 44.8 secs Computing kpt #: 319 total cpu time spent up to now is 45.1 secs Computing kpt #: 320 total cpu time spent up to now is 45.3 secs Computing kpt #: 321 total cpu time spent up to now is 45.5 secs Computing kpt #: 322 total cpu time spent up to now is 45.8 secs Computing kpt #: 323 total cpu time spent up to now is 46.0 secs Computing kpt #: 324 total cpu time spent up to now is 46.2 secs Computing kpt #: 325 total cpu time spent up to now is 46.4 secs Computing kpt #: 326 total cpu time spent up to now is 46.7 secs Computing kpt #: 327 total cpu time spent up to now is 46.9 secs Computing kpt #: 328 total cpu time spent up to now is 47.1 secs Computing kpt #: 329 total cpu time spent up to now is 47.3 secs Computing kpt #: 330 total cpu time spent up to now is 47.5 secs Computing kpt #: 331 total cpu time spent up to now is 47.7 secs Computing kpt #: 332 total cpu time spent up to now is 47.8 secs Computing kpt #: 333 total cpu time spent up to now is 48.0 secs Computing kpt #: 334 total cpu time spent up to now is 48.1 secs Computing kpt #: 335 total cpu time spent up to now is 48.2 secs Computing kpt #: 336 total cpu time spent up to now is 48.4 secs Computing kpt #: 337 total cpu time spent up to now is 48.5 secs Computing kpt #: 338 total cpu time spent up to now is 48.6 secs Computing kpt #: 339 total cpu time spent up to now is 48.7 secs Computing kpt #: 340 total cpu time spent up to now is 48.9 secs Computing kpt #: 341 total cpu time spent up to now is 49.0 secs Computing kpt #: 342 total cpu time spent up to now is 49.2 secs Computing kpt #: 343 total cpu time spent up to now is 49.3 secs Computing kpt #: 344 total cpu time spent up to now is 49.5 secs Computing kpt #: 345 total cpu time spent up to now is 49.6 secs Computing kpt #: 346 total cpu time spent up to now is 49.8 secs Computing kpt #: 347 total cpu time spent up to now is 49.9 secs Computing kpt #: 348 total cpu time spent up to now is 50.0 secs Computing kpt #: 349 total cpu time spent up to now is 50.1 secs Computing kpt #: 350 total cpu time spent up to now is 50.3 secs Computing kpt #: 351 total cpu time spent up to now is 50.4 secs Computing kpt #: 352 total cpu time spent up to now is 50.5 secs Computing kpt #: 353 total cpu time spent up to now is 50.6 secs Computing kpt #: 354 total cpu time spent up to now is 50.7 secs Computing kpt #: 355 total cpu time spent up to now is 50.9 secs Computing kpt #: 356 total cpu time spent up to now is 51.0 secs Computing kpt #: 357 total cpu time spent up to now is 51.1 secs Computing kpt #: 358 total cpu time spent up to now is 51.2 secs Computing kpt #: 359 total cpu time spent up to now is 51.3 secs Computing kpt #: 360 total cpu time spent up to now is 51.4 secs Computing kpt #: 361 total cpu time spent up to now is 51.6 secs Computing kpt #: 362 total cpu time spent up to now is 51.7 secs Computing kpt #: 363 total cpu time spent up to now is 51.8 secs Computing kpt #: 364 total cpu time spent up to now is 51.9 secs Computing kpt #: 365 total cpu time spent up to now is 52.0 secs Computing kpt #: 366 total cpu time spent up to now is 52.1 secs Computing kpt #: 367 total cpu time spent up to now is 52.3 secs Computing kpt #: 368 total cpu time spent up to now is 52.4 secs Computing kpt #: 369 total cpu time spent up to now is 52.5 secs Computing kpt #: 370 total cpu time spent up to now is 52.6 secs Computing kpt #: 371 total cpu time spent up to now is 52.7 secs Computing kpt #: 372 total cpu time spent up to now is 52.8 secs Computing kpt #: 373 total cpu time spent up to now is 52.9 secs Computing kpt #: 374 total cpu time spent up to now is 53.1 secs Computing kpt #: 375 total cpu time spent up to now is 53.2 secs Computing kpt #: 376 total cpu time spent up to now is 53.3 secs Computing kpt #: 377 total cpu time spent up to now is 53.4 secs Computing kpt #: 378 total cpu time spent up to now is 53.5 secs Computing kpt #: 379 total cpu time spent up to now is 53.6 secs Computing kpt #: 380 total cpu time spent up to now is 53.7 secs Computing kpt #: 381 total cpu time spent up to now is 53.8 secs Computing kpt #: 382 total cpu time spent up to now is 53.9 secs Computing kpt #: 383 total cpu time spent up to now is 54.1 secs Computing kpt #: 384 total cpu time spent up to now is 54.2 secs Computing kpt #: 385 total cpu time spent up to now is 54.3 secs Computing kpt #: 386 total cpu time spent up to now is 54.4 secs Computing kpt #: 387 total cpu time spent up to now is 54.5 secs Computing kpt #: 388 total cpu time spent up to now is 54.6 secs Computing kpt #: 389 total cpu time spent up to now is 54.7 secs Computing kpt #: 390 total cpu time spent up to now is 54.8 secs Computing kpt #: 391 total cpu time spent up to now is 54.9 secs Computing kpt #: 392 total cpu time spent up to now is 55.0 secs Computing kpt #: 393 total cpu time spent up to now is 55.1 secs Computing kpt #: 394 total cpu time spent up to now is 55.2 secs Computing kpt #: 395 total cpu time spent up to now is 55.4 secs Computing kpt #: 396 total cpu time spent up to now is 55.5 secs Computing kpt #: 397 total cpu time spent up to now is 55.6 secs Computing kpt #: 398 total cpu time spent up to now is 55.7 secs Computing kpt #: 399 total cpu time spent up to now is 55.9 secs Computing kpt #: 400 total cpu time spent up to now is 56.0 secs Computing kpt #: 401 total cpu time spent up to now is 56.1 secs Computing kpt #: 402 total cpu time spent up to now is 56.2 secs Computing kpt #: 403 total cpu time spent up to now is 56.4 secs Computing kpt #: 404 total cpu time spent up to now is 56.5 secs Computing kpt #: 405 total cpu time spent up to now is 56.6 secs Computing kpt #: 406 total cpu time spent up to now is 56.7 secs Computing kpt #: 407 total cpu time spent up to now is 56.9 secs Computing kpt #: 408 total cpu time spent up to now is 57.0 secs Computing kpt #: 409 total cpu time spent up to now is 57.1 secs Computing kpt #: 410 total cpu time spent up to now is 57.3 secs Computing kpt #: 411 total cpu time spent up to now is 57.4 secs Computing kpt #: 412 total cpu time spent up to now is 57.5 secs Computing kpt #: 413 total cpu time spent up to now is 57.6 secs Computing kpt #: 414 total cpu time spent up to now is 57.8 secs Computing kpt #: 415 total cpu time spent up to now is 57.9 secs Computing kpt #: 416 total cpu time spent up to now is 58.0 secs Computing kpt #: 417 total cpu time spent up to now is 58.1 secs Computing kpt #: 418 total cpu time spent up to now is 58.2 secs Computing kpt #: 419 total cpu time spent up to now is 58.4 secs Computing kpt #: 420 total cpu time spent up to now is 58.5 secs Computing kpt #: 421 total cpu time spent up to now is 58.6 secs Computing kpt #: 422 total cpu time spent up to now is 58.7 secs Computing kpt #: 423 total cpu time spent up to now is 58.8 secs Computing kpt #: 424 total cpu time spent up to now is 59.0 secs Computing kpt #: 425 total cpu time spent up to now is 59.1 secs Computing kpt #: 426 total cpu time spent up to now is 59.2 secs Computing kpt #: 427 total cpu time spent up to now is 59.3 secs Computing kpt #: 428 total cpu time spent up to now is 59.4 secs Computing kpt #: 429 total cpu time spent up to now is 59.6 secs Computing kpt #: 430 total cpu time spent up to now is 59.7 secs Computing kpt #: 431 total cpu time spent up to now is 59.8 secs Computing kpt #: 432 total cpu time spent up to now is 59.9 secs Computing kpt #: 433 total cpu time spent up to now is 60.0 secs Computing kpt #: 434 total cpu time spent up to now is 60.2 secs Computing kpt #: 435 total cpu time spent up to now is 60.3 secs Computing kpt #: 436 total cpu time spent up to now is 60.4 secs Computing kpt #: 437 total cpu time spent up to now is 60.5 secs Computing kpt #: 438 total cpu time spent up to now is 60.7 secs Computing kpt #: 439 total cpu time spent up to now is 60.8 secs Computing kpt #: 440 total cpu time spent up to now is 60.9 secs Computing kpt #: 441 total cpu time spent up to now is 61.0 secs Computing kpt #: 442 total cpu time spent up to now is 61.1 secs Computing kpt #: 443 total cpu time spent up to now is 61.3 secs Computing kpt #: 444 total cpu time spent up to now is 61.4 secs Computing kpt #: 445 total cpu time spent up to now is 61.5 secs Computing kpt #: 446 total cpu time spent up to now is 61.7 secs Computing kpt #: 447 total cpu time spent up to now is 61.8 secs Computing kpt #: 448 total cpu time spent up to now is 62.0 secs Computing kpt #: 449 total cpu time spent up to now is 62.3 secs Computing kpt #: 450 total cpu time spent up to now is 62.5 secs Computing kpt #: 451 total cpu time spent up to now is 62.7 secs Computing kpt #: 452 total cpu time spent up to now is 62.9 secs Computing kpt #: 453 total cpu time spent up to now is 63.1 secs Computing kpt #: 454 total cpu time spent up to now is 63.3 secs Computing kpt #: 455 total cpu time spent up to now is 63.6 secs Computing kpt #: 456 total cpu time spent up to now is 63.7 secs Computing kpt #: 457 total cpu time spent up to now is 63.9 secs Computing kpt #: 458 total cpu time spent up to now is 64.1 secs Computing kpt #: 459 total cpu time spent up to now is 64.3 secs Computing kpt #: 460 total cpu time spent up to now is 64.5 secs Computing kpt #: 461 total cpu time spent up to now is 64.7 secs Computing kpt #: 462 total cpu time spent up to now is 65.0 secs Computing kpt #: 463 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.5 secs Computing kpt #: 464 total cpu time spent up to now is 65.8 secs Computing kpt #: 465 total cpu time spent up to now is 66.1 secs ethr = 6.25E-08, avg # of iterations = 22.0 total cpu time spent up to now is 66.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1625 PWs) bands (ev): 2.9685 2.9685 3.2408 3.2408 3.5004 3.5004 5.0890 5.0890 5.1869 5.1869 5.8380 5.8380 11.2050 11.2050 11.4926 11.4926 13.5673 13.5673 15.2164 15.2164 15.3373 15.3373 16.3456 16.3456 k = 0.0000 0.0100-0.0000 ( 1625 PWs) bands (ev): 2.9702 2.9702 3.2413 3.2413 3.5010 3.5010 5.0891 5.0891 5.1869 5.1869 5.8376 5.8376 11.2061 11.2061 11.4935 11.4935 13.5583 13.5583 15.2212 15.2212 15.3424 15.3424 16.3408 16.3408 k = 0.0000 0.0200-0.0000 ( 1631 PWs) bands (ev): 2.9752 2.9752 3.2428 3.2428 3.5026 3.5026 5.0895 5.0895 5.1867 5.1867 5.8364 5.8364 11.2096 11.2096 11.4960 11.4960 13.5321 13.5321 15.2328 15.2328 15.3598 15.3598 16.3262 16.3262 k = 0.0000 0.0300-0.0000 ( 1637 PWs) bands (ev): 2.9836 2.9836 3.2453 3.2453 3.5055 3.5055 5.0901 5.0901 5.1864 5.1864 5.8343 5.8343 11.2152 11.2152 11.5005 11.5005 13.4903 13.4903 15.2448 15.2448 15.3943 15.3943 16.3024 16.3024 k = 0.0000 0.0400-0.0000 ( 1639 PWs) bands (ev): 2.9951 2.9951 3.2489 3.2489 3.5095 3.5095 5.0910 5.0910 5.1861 5.1861 5.8315 5.8315 11.2227 11.2227 11.5070 11.5070 13.4353 13.4353 15.2528 15.2528 15.4480 15.4480 16.2697 16.2697 k = 0.0000 0.0500-0.0000 ( 1639 PWs) bands (ev): 3.0095 3.0095 3.2536 3.2536 3.5148 3.5148 5.0921 5.0921 5.1858 5.1858 5.8279 5.8279 11.2317 11.2317 11.5158 11.5158 13.3694 13.3694 15.2566 15.2566 15.5185 15.5185 16.2288 16.2288 k = 0.0000 0.0600-0.0000 ( 1643 PWs) bands (ev): 3.0267 3.0267 3.2597 3.2597 3.5214 3.5214 5.0933 5.0933 5.1855 5.1855 5.8236 5.8236 11.2417 11.2417 11.5273 11.5273 13.2951 13.2951 15.2575 15.2575 15.6022 15.6022 16.1805 16.1805 k = 0.0000 0.0700-0.0000 ( 1647 PWs) bands (ev): 3.0461 3.0461 3.2672 3.2672 3.5295 3.5295 5.0947 5.0947 5.1853 5.1853 5.8186 5.8186 11.2523 11.2523 11.5416 11.5416 13.2144 13.2144 15.2567 15.2567 15.6960 15.6960 16.1256 16.1256 k = 0.0000 0.0800-0.0000 ( 1649 PWs) bands (ev): 3.0673 3.0673 3.2764 3.2764 3.5393 3.5393 5.0963 5.0963 5.1852 5.1852 5.8129 5.8129 11.2628 11.2628 11.5592 11.5592 13.1288 13.1288 15.2545 15.2545 15.7972 15.7972 16.0653 16.0653 k = 0.0000 0.0900-0.0000 ( 1653 PWs) bands (ev): 3.0896 3.0896 3.2875 3.2875 3.5511 3.5511 5.0980 5.0980 5.1854 5.1854 5.8066 5.8066 11.2730 11.2730 11.5802 11.5802 13.0399 13.0399 15.2513 15.2513 15.9014 15.9014 16.0035 16.0035 k = 0.0000 0.1000-0.0000 ( 1653 PWs) bands (ev): 3.1122 3.1122 3.3010 3.3010 3.5652 3.5652 5.0997 5.0997 5.1859 5.1859 5.7997 5.7997 11.2823 11.2823 11.6046 11.6046 12.9485 12.9485 15.2473 15.2473 15.9193 15.9193 16.0286 16.0286 k = 0.0000 0.1100-0.0000 ( 1651 PWs) bands (ev): 3.1342 3.1342 3.3169 3.3169 3.5822 3.5822 5.1015 5.1015 5.1868 5.1868 5.7924 5.7924 11.2905 11.2905 11.6322 11.6322 12.8557 12.8557 15.2427 15.2427 15.8491 15.8491 16.1422 16.1422 k = 0.0000 0.1200-0.0000 ( 1657 PWs) bands (ev): 3.1549 3.1549 3.3352 3.3352 3.6027 3.6027 5.1033 5.1033 5.1882 5.1882 5.7845 5.7845 11.2976 11.2976 11.6627 11.6627 12.7621 12.7621 15.2374 15.2374 15.7728 15.7728 16.2619 16.2619 k = 0.0000 0.1300-0.0000 ( 1661 PWs) bands (ev): 3.1737 3.1737 3.3555 3.3555 3.6276 3.6276 5.1052 5.1052 5.1900 5.1900 5.7763 5.7763 11.3034 11.3034 11.6955 11.6955 12.6684 12.6684 15.2314 15.2314 15.6937 15.6937 16.3840 16.3840 k = 0.0000 0.1400-0.0000 ( 1669 PWs) bands (ev): 3.1905 3.1905 3.3768 3.3768 3.6578 3.6578 5.1073 5.1073 5.1925 5.1925 5.7678 5.7678 11.3080 11.3080 11.7297 11.7297 12.5752 12.5752 15.2248 15.2248 15.6128 15.6128 16.5065 16.5065 k = 0.0000 0.1500-0.0000 ( 1665 PWs) bands (ev): 3.2054 3.2054 3.3982 3.3982 3.6940 3.6940 5.1094 5.1094 5.1955 5.1955 5.7591 5.7591 11.3115 11.3115 11.7642 11.7642 12.4831 12.4831 15.2174 15.2174 15.5310 15.5310 16.6265 16.6265 k = 0.0000 0.1600-0.0000 ( 1661 PWs) bands (ev): 3.2186 3.2186 3.4187 3.4187 3.7367 3.7367 5.1118 5.1118 5.1992 5.1992 5.7502 5.7502 11.3141 11.3141 11.7977 11.7977 12.3930 12.3930 15.2089 15.2089 15.4490 15.4490 16.7382 16.7382 k = 0.0000 0.1700-0.0000 ( 1657 PWs) bands (ev): 3.2305 3.2305 3.4376 3.4376 3.7859 3.7859 5.1145 5.1145 5.2035 5.2035 5.7412 5.7412 11.3156 11.3156 11.8281 11.8281 12.3060 12.3060 15.1982 15.1982 15.3683 15.3683 16.8276 16.8276 k = 0.0000 0.1800-0.0000 ( 1665 PWs) bands (ev): 3.2413 3.2413 3.4546 3.4546 3.8415 3.8415 5.1176 5.1176 5.2085 5.2085 5.7322 5.7322 11.3163 11.3163 11.8526 11.8526 12.2241 12.2241 15.1819 15.1819 15.2930 15.2930 16.8646 16.8646 k = 0.0000 0.1900-0.0000 ( 1665 PWs) bands (ev): 3.2514 3.2514 3.4697 3.4697 3.9029 3.9029 5.1211 5.1211 5.2143 5.2143 5.7233 5.7233 11.3161 11.3161 11.8659 11.8659 12.1516 12.1516 15.1477 15.1477 15.2356 15.2356 16.8263 16.8263 k = 0.0000 0.2000-0.0000 ( 1669 PWs) bands (ev): 3.2608 3.2608 3.4831 3.4831 3.9694 3.9694 5.1253 5.1253 5.2209 5.2209 5.7146 5.7146 11.3150 11.3150 11.8594 11.8594 12.0957 12.0957 15.0852 15.0852 15.2068 15.2068 16.7389 16.7389 k = 0.0000 0.2100-0.0000 ( 1665 PWs) bands (ev): 3.2697 3.2697 3.4949 3.4949 4.0402 4.0402 5.1302 5.1302 5.2286 5.2286 5.7061 5.7061 11.3130 11.3130 11.8257 11.8257 12.0626 12.0626 15.0100 15.0100 15.1917 15.1917 16.6363 16.6363 k = 0.0000 0.2200-0.0000 ( 1665 PWs) bands (ev): 3.2783 3.2783 3.5054 3.5054 4.1148 4.1148 5.1358 5.1358 5.2376 5.2376 5.6980 5.6980 11.3099 11.3099 11.7693 11.7693 12.0466 12.0466 14.9318 14.9318 15.1804 15.1804 16.5350 16.5350 k = 0.0000 0.2300-0.0000 ( 1665 PWs) bands (ev): 3.2864 3.2864 3.5147 3.5147 4.1922 4.1922 5.1421 5.1421 5.2483 5.2483 5.6904 5.6904 11.3055 11.3055 11.7013 11.7013 12.0353 12.0353 14.8537 14.8537 15.1706 15.1706 16.4428 16.4428 k = 0.0000 0.2400-0.0000 ( 1665 PWs) bands (ev): 3.2943 3.2943 3.5229 3.5229 4.2715 4.2715 5.1490 5.1490 5.2613 5.2613 5.6834 5.6834 11.2994 11.2994 11.6291 11.6291 12.0203 12.0203 14.7766 14.7766 15.1613 15.1613 16.3636 16.3636 k = 0.0000 0.2500-0.0000 ( 1665 PWs) bands (ev): 3.3018 3.3018 3.5301 3.5301 4.3517 4.3517 5.1564 5.1564 5.2777 5.2777 5.6770 5.6770 11.2907 11.2907 11.5565 11.5565 11.9975 11.9975 14.7010 14.7010 15.1524 15.1524 16.3001 16.3001 k = 0.0000 0.2600-0.0000 ( 1665 PWs) bands (ev): 3.3091 3.3091 3.5365 3.5365 4.4316 4.4316 5.1639 5.1639 5.2986 5.2986 5.6714 5.6714 11.2781 11.2781 11.4862 11.4862 11.9646 11.9646 14.6273 14.6273 15.1436 15.1436 16.2540 16.2540 k = 0.0000 0.2700-0.0000 ( 1661 PWs) bands (ev): 3.3162 3.3162 3.5420 3.5420 4.5096 4.5096 5.1712 5.1712 5.3255 5.3255 5.6668 5.6668 11.2586 11.2586 11.4213 11.4213 11.9211 11.9211 14.5555 14.5555 15.1351 15.1351 16.2264 16.2264 k = 0.0000 0.2800-0.0000 ( 1661 PWs) bands (ev): 3.3229 3.3229 3.5467 3.5467 4.5841 4.5841 5.1780 5.1780 5.3600 5.3600 5.6635 5.6635 11.2270 11.2270 11.3662 11.3662 11.8673 11.8673 14.4859 14.4859 15.1266 15.1266 16.2176 16.2176 k = 0.0000 0.2900-0.0000 ( 1661 PWs) bands (ev): 3.3294 3.3294 3.5508 3.5508 4.6533 4.6533 5.1840 5.1840 5.4033 5.4033 5.6620 5.6620 11.1794 11.1794 11.3239 11.3239 11.8049 11.8049 14.4186 14.4186 15.1183 15.1183 16.2276 16.2276 k = 0.0000 0.3000-0.0000 ( 1663 PWs) bands (ev): 3.3357 3.3357 3.5541 3.5541 4.7158 4.7158 5.1892 5.1892 5.4556 5.4556 5.6636 5.6636 11.1181 11.1181 11.2896 11.2896 11.7368 11.7368 14.3537 14.3537 15.1102 15.1102 16.2558 16.2558 k = 0.0000 0.3100-0.0000 ( 1664 PWs) bands (ev): 3.3417 3.3417 3.5569 3.5569 4.7705 4.7705 5.1935 5.1935 5.5144 5.5144 5.6718 5.6718 11.0476 11.0476 11.2556 11.2556 11.6674 11.6674 14.2912 14.2912 15.1023 15.1023 16.3011 16.3011 k = 0.0000 0.3200-0.0000 ( 1660 PWs) bands (ev): 3.3474 3.3474 3.5591 3.5591 4.8171 4.8171 5.1970 5.1970 5.5687 5.5687 5.6974 5.6974 10.9698 10.9698 11.2155 11.2155 11.6022 11.6022 14.2313 14.2313 15.0946 15.0946 16.3622 16.3622 k = 0.0000 0.3300-0.0000 ( 1660 PWs) bands (ev): 3.3528 3.3528 3.5608 3.5608 4.8562 4.8562 5.1997 5.1997 5.6010 5.6010 5.7574 5.7574 10.8839 10.8839 11.1665 11.1665 11.5466 11.5466 14.1741 14.1741 15.0871 15.0871 16.4377 16.4377 k = 0.0000 0.3400-0.0000 ( 1660 PWs) bands (ev): 3.3580 3.3580 3.5620 3.5620 4.8887 4.8887 5.2018 5.2018 5.6143 5.6143 5.8474 5.8474 10.7876 10.7876 11.1092 11.1092 11.5031 11.5031 14.1196 14.1196 15.0798 15.0798 16.5259 16.5259 k = 0.0000 0.3500-0.0000 ( 1658 PWs) bands (ev): 3.3629 3.3629 3.5629 3.5629 4.9157 4.9157 5.2034 5.2034 5.6203 5.6203 5.9544 5.9544 10.6789 10.6789 11.0480 11.0480 11.4712 11.4712 14.0679 14.0679 15.0729 15.0729 16.6253 16.6253 k = 0.0000 0.3600-0.0000 ( 1658 PWs) bands (ev): 3.3674 3.3674 3.5633 3.5633 4.9381 4.9381 5.2045 5.2045 5.6238 5.6238 6.0724 6.0724 10.5570 10.5570 10.9873 10.9873 11.4482 11.4482 14.0192 14.0192 15.0662 15.0662 16.7343 16.7343 k = 0.0000 0.3700-0.0000 ( 1656 PWs) bands (ev): 3.3717 3.3717 3.5635 3.5635 4.9570 4.9570 5.2052 5.2052 5.6264 5.6264 6.1986 6.1986 10.4226 10.4226 10.9304 10.9304 11.4314 11.4314 13.9735 13.9735 15.0599 15.0599 16.8511 16.8511 k = 0.0000 0.3800-0.0000 ( 1660 PWs) bands (ev): 3.3756 3.3756 3.5634 3.5634 4.9729 4.9729 5.2056 5.2056 5.6285 5.6285 6.3315 6.3315 10.2776 10.2776 10.8784 10.8784 11.4189 11.4189 13.9309 13.9309 15.0539 15.0539 16.9744 16.9744 k = 0.0000 0.3900-0.0000 ( 1656 PWs) bands (ev): 3.3793 3.3793 3.5632 3.5632 4.9865 4.9865 5.2058 5.2058 5.6306 5.6306 6.4700 6.4700 10.1242 10.1242 10.8315 10.8315 11.4093 11.4093 13.8915 13.8915 15.0483 15.0483 17.1024 17.1024 k = 0.0000 0.4000-0.0000 ( 1656 PWs) bands (ev): 3.3826 3.3826 3.5627 3.5627 4.9980 4.9980 5.2058 5.2058 5.6326 5.6326 6.6134 6.6134 9.9641 9.9641 10.7895 10.7895 11.4019 11.4019 13.8553 13.8553 15.0431 15.0431 17.2336 17.2336 k = 0.0000 0.4100-0.0000 ( 1656 PWs) bands (ev): 3.3856 3.3856 3.5622 3.5622 5.0079 5.0079 5.2057 5.2057 5.6345 5.6345 6.7612 6.7612 9.7991 9.7991 10.7521 10.7521 11.3959 11.3959 13.8224 13.8224 15.0383 15.0383 17.3663 17.3663 k = 0.0000 0.4200-0.0000 ( 1660 PWs) bands (ev): 3.3883 3.3883 3.5616 3.5616 5.0163 5.0163 5.2055 5.2055 5.6364 5.6364 6.9127 6.9127 9.6303 9.6303 10.7190 10.7190 11.3911 11.3911 13.7928 13.7928 15.0340 15.0340 17.4986 17.4986 k = 0.0000 0.4300-0.0000 ( 1664 PWs) bands (ev): 3.3907 3.3907 3.5610 3.5610 5.0234 5.0234 5.2053 5.2053 5.6381 5.6381 7.0678 7.0678 9.4590 9.4590 10.6902 10.6902 11.3872 11.3872 13.7666 13.7666 15.0302 15.0302 17.6285 17.6285 k = 0.0000 0.4400-0.0000 ( 1656 PWs) bands (ev): 3.3928 3.3928 3.5604 3.5604 5.0294 5.0294 5.2051 5.2051 5.6398 5.6398 7.2259 7.2259 9.2859 9.2859 10.6654 10.6654 11.3840 11.3840 13.7438 13.7438 15.0268 15.0268 17.7535 17.7535 k = 0.0000 0.4500-0.0000 ( 1654 PWs) bands (ev): 3.3945 3.3945 3.5598 3.5598 5.0343 5.0343 5.2049 5.2049 5.6412 5.6412 7.3867 7.3867 9.1118 9.1118 10.6445 10.6445 11.3815 11.3815 13.7245 13.7245 15.0239 15.0239 17.8707 17.8707 k = 0.0000 0.4600-0.0000 ( 1654 PWs) bands (ev): 3.3960 3.3960 3.5593 3.5593 5.0382 5.0382 5.2048 5.2048 5.6425 5.6425 7.5498 7.5498 8.9375 8.9375 10.6275 10.6275 11.3795 11.3795 13.7086 13.7086 15.0215 15.0215 17.9766 17.9766 k = 0.0000 0.4700-0.0000 ( 1658 PWs) bands (ev): 3.3971 3.3971 3.5589 3.5589 5.0412 5.0412 5.2046 5.2046 5.6435 5.6435 7.7146 7.7146 8.7638 8.7638 10.6143 10.6143 11.3780 11.3780 13.6963 13.6963 15.0197 15.0197 18.0669 18.0669 k = 0.0000 0.4800-0.0000 ( 1662 PWs) bands (ev): 3.3979 3.3979 3.5586 3.5586 5.0433 5.0433 5.2045 5.2045 5.6442 5.6442 7.8797 7.8797 8.5921 8.5921 10.6049 10.6049 11.3770 11.3770 13.6875 13.6875 15.0183 15.0183 18.1367 18.1367 k = 0.0000 0.4900-0.0000 ( 1662 PWs) bands (ev): 3.3983 3.3983 3.5584 3.5584 5.0446 5.0446 5.2045 5.2045 5.6447 5.6447 8.0405 8.0405 8.4274 8.4274 10.5992 10.5992 11.3764 11.3764 13.6821 13.6821 15.0175 15.0175 18.1812 18.1812 k = 0.0000 0.5000-0.0000 ( 1666 PWs) bands (ev): 3.3985 3.3985 3.5583 3.5583 5.0450 5.0450 5.2044 5.2044 5.6448 5.6448 8.1463 8.1463 8.3202 8.3202 10.5974 10.5974 11.3762 11.3762 13.6804 13.6804 15.0173 15.0173 18.1966 18.1966 k = 0.0000 0.5000-0.0000 ( 1666 PWs) bands (ev): 3.3985 3.3985 3.5583 3.5583 5.0450 5.0450 5.2044 5.2044 5.6448 5.6448 8.1463 8.1463 8.3202 8.3202 10.5974 10.5974 11.3762 11.3762 13.6804 13.6804 15.0173 15.0173 18.1966 18.1966 k = 0.0100 0.5000-0.0000 ( 1662 PWs) bands (ev): 3.3991 3.3991 3.5581 3.5581 5.0449 5.0449 5.2038 5.2038 5.6434 5.6434 8.1495 8.1495 8.3203 8.3203 10.6001 10.6001 11.3792 11.3792 13.6791 13.6791 15.0154 15.0154 18.1960 18.1960 k = 0.0200 0.5000-0.0000 ( 1662 PWs) bands (ev): 3.4008 3.4008 3.5572 3.5572 5.0445 5.0445 5.2018 5.2018 5.6391 5.6391 8.1590 8.1590 8.3207 8.3207 10.6082 10.6082 11.3885 11.3885 13.6753 13.6753 15.0098 15.0098 18.1944 18.1944 k = 0.0300 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.4037 3.4037 3.5558 3.5558 5.0441 5.0441 5.1985 5.1985 5.6321 5.6321 8.1747 8.1747 8.3215 8.3215 10.6218 10.6218 11.4038 11.4038 13.6690 13.6690 15.0005 15.0005 18.1916 18.1916 k = 0.0400 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.4076 3.4076 3.5538 3.5538 5.0435 5.0435 5.1940 5.1940 5.6224 5.6224 8.1960 8.1960 8.3231 8.3231 10.6407 10.6407 11.4253 11.4253 13.6603 13.6603 14.9875 14.9875 18.1877 18.1877 k = 0.0500 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.4124 3.4124 3.5513 3.5513 5.0429 5.0429 5.1883 5.1883 5.6101 5.6101 8.2220 8.2220 8.3263 8.3263 10.6648 10.6648 11.4528 11.4528 13.6492 13.6492 14.9712 14.9712 18.1826 18.1826 k = 0.0600 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.4180 3.4180 3.5482 3.5482 5.0424 5.0424 5.1815 5.1815 5.5954 5.5954 8.2504 8.2504 8.3333 8.3333 10.6941 10.6941 11.4862 11.4862 13.6359 13.6359 14.9514 14.9514 18.1763 18.1763 k = 0.0700 0.5000-0.0000 ( 1660 PWs) bands (ev): 3.4242 3.4242 3.5446 3.5446 5.0422 5.0422 5.1739 5.1739 5.5785 5.5785 8.2755 8.2755 8.3497 8.3497 10.7283 10.7283 11.5255 11.5255 13.6204 13.6204 14.9286 14.9286 18.1688 18.1688 k = 0.0800 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.4310 3.4310 3.5405 3.5405 5.0424 5.0424 5.1655 5.1655 5.5596 5.5596 8.2909 8.2909 8.3816 8.3816 10.7674 10.7674 11.5706 11.5706 13.6028 13.6028 14.9027 14.9027 18.1598 18.1598 k = 0.0900 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.4379 3.4379 3.5359 3.5359 5.0432 5.0432 5.1564 5.1564 5.5389 5.5389 8.2982 8.2982 8.4272 8.4272 10.8112 10.8112 11.6213 11.6213 13.5833 13.5833 14.8742 14.8742 18.1495 18.1495 k = 0.1000 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4449 3.4449 3.5308 3.5308 5.0447 5.0447 5.1469 5.1469 5.5165 5.5165 8.3020 8.3020 8.4819 8.4819 10.8596 10.8596 11.6776 11.6776 13.5621 13.5621 14.8431 14.8431 18.1377 18.1377 k = 0.1100 0.5000-0.0000 ( 1672 PWs) bands (ev): 3.4517 3.4517 3.5252 3.5252 5.0469 5.0469 5.1374 5.1374 5.4928 5.4928 8.3044 8.3044 8.5432 8.5432 10.9122 10.9122 11.7392 11.7392 13.5391 13.5391 14.8097 14.8097 18.1243 18.1243 k = 0.1200 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4580 3.4580 3.5193 3.5193 5.0495 5.0495 5.1284 5.1284 5.4679 5.4679 8.3063 8.3063 8.6102 8.6102 10.9690 10.9690 11.8060 11.8060 13.5147 13.5147 14.7743 14.7743 18.1092 18.1092 k = 0.1300 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4635 3.4635 3.5131 3.5131 5.0518 5.0518 5.1211 5.1211 5.4422 5.4422 8.3082 8.3082 8.6822 8.6822 11.0297 11.0297 11.8778 11.8778 13.4890 13.4890 14.7371 14.7371 18.0923 18.0923 k = 0.1400 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4679 3.4679 3.5066 3.5066 5.0521 5.0521 5.1172 5.1172 5.4158 5.4158 8.3103 8.3103 8.7588 8.7588 11.0941 11.0941 11.9545 11.9545 13.4620 13.4620 14.6984 14.6984 18.0736 18.0736 k = 0.1500 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4708 3.4708 3.5003 3.5003 5.0486 5.0486 5.1190 5.1190 5.3889 5.3889 8.3128 8.3128 8.8397 8.8397 11.1620 11.1620 12.0357 12.0357 13.4340 13.4340 14.6584 14.6584 18.0530 18.0530 k = 0.1600 0.5000-0.0000 ( 1672 PWs) bands (ev): 3.4714 3.4714 3.4945 3.4945 5.0407 5.0407 5.1271 5.1271 5.3619 5.3619 8.3159 8.3159 8.9247 8.9247 11.2333 11.2333 12.1213 12.1213 13.4050 13.4050 14.6174 14.6174 18.0303 18.0303 k = 0.1700 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4692 3.4692 3.4898 3.4898 5.0295 5.0295 5.1408 5.1408 5.3351 5.3351 8.3197 8.3197 9.0134 9.0134 11.3075 11.3075 12.2110 12.2110 13.3752 13.3752 14.5755 14.5755 18.0056 18.0056 k = 0.1800 0.5000-0.0000 ( 1672 PWs) bands (ev): 3.4640 3.4640 3.4861 3.4861 5.0159 5.0159 5.1586 5.1586 5.3088 5.3088 8.3243 8.3243 9.1056 9.1056 11.3847 11.3847 12.3044 12.3044 13.3447 13.3447 14.5331 14.5331 17.9787 17.9787 k = 0.1900 0.5000-0.0000 ( 1674 PWs) bands (ev): 3.4569 3.4569 3.4824 3.4824 5.0007 5.0007 5.1795 5.1795 5.2839 5.2839 8.3298 8.3298 9.2011 9.2011 11.4644 11.4644 12.4013 12.4013 13.3136 13.3136 14.4902 14.4902 17.9497 17.9497 k = 0.2000 0.5000-0.0000 ( 1674 PWs) bands (ev): 3.4486 3.4486 3.4781 3.4781 4.9843 4.9843 5.2003 5.2003 5.2631 5.2631 8.3364 8.3364 9.2998 9.2998 11.5465 11.5465 12.5013 12.5013 13.2820 13.2820 14.4473 14.4473 17.9186 17.9186 k = 0.2100 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4397 3.4397 3.4726 3.4726 4.9669 4.9669 5.2080 5.2080 5.2596 5.2596 8.3443 8.3443 9.4014 9.4014 11.6308 11.6308 12.6039 12.6039 13.2500 13.2500 14.4043 14.4043 17.8854 17.8854 k = 0.2200 0.5000-0.0000 ( 1676 PWs) bands (ev): 3.4302 3.4302 3.4657 3.4657 4.9486 4.9486 5.1934 5.1934 5.2821 5.2821 8.3535 8.3535 9.5056 9.5056 11.7170 11.7170 12.7088 12.7088 13.2177 13.2177 14.3615 14.3615 17.8503 17.8503 k = 0.2300 0.5000-0.0000 ( 1676 PWs) bands (ev): 3.4204 3.4204 3.4576 3.4576 4.9295 4.9295 5.1724 5.1724 5.3149 5.3149 8.3642 8.3642 9.6123 9.6123 11.8049 11.8049 12.8154 12.8154 13.1851 13.1851 14.3191 14.3191 17.8135 17.8135 k = 0.2400 0.5000-0.0000 ( 1672 PWs) bands (ev): 3.4103 3.4103 3.4482 3.4482 4.9098 4.9098 5.1507 5.1507 5.3519 5.3519 8.3765 8.3765 9.7213 9.7213 11.8942 11.8942 12.9230 12.9230 13.1523 13.1523 14.2773 14.2773 17.7752 17.7752 k = 0.2500 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.4001 3.4001 3.4378 3.4378 4.8895 4.8895 5.1294 5.1294 5.3917 5.3917 8.3905 8.3905 9.8324 9.8324 11.9847 11.9847 13.0311 13.0311 13.1195 13.1195 14.2361 14.2361 17.7359 17.7359 k = 0.2600 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.3896 3.3896 3.4264 3.4264 4.8688 4.8688 5.1089 5.1089 5.4337 5.4337 8.4064 8.4064 9.9453 9.9453 12.0761 12.0761 13.0858 13.0858 13.1396 13.1396 14.1958 14.1958 17.6959 17.6959 k = 0.2700 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.3790 3.3790 3.4141 3.4141 4.8478 4.8478 5.0893 5.0893 5.4774 5.4774 8.4243 8.4243 10.0598 10.0598 12.1682 12.1682 13.0531 13.0531 13.2462 13.2462 14.1564 14.1564 17.6559 17.6559 k = 0.2800 0.5000-0.0000 ( 1660 PWs) bands (ev): 3.3683 3.3683 3.4014 3.4014 4.8267 4.8267 5.0706 5.0706 5.5224 5.5224 8.4443 8.4443 10.1757 10.1757 12.2605 12.2605 13.0202 13.0202 13.3510 13.3510 14.1180 14.1180 17.6166 17.6166 k = 0.2900 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.3575 3.3575 3.3882 3.3882 4.8055 4.8055 5.0529 5.0529 5.5682 5.5682 8.4664 8.4664 10.2928 10.2928 12.3527 12.3527 12.9875 12.9875 13.4528 13.4528 14.0808 14.0808 17.5787 17.5787 k = 0.3000 0.5000-0.0000 ( 1666 PWs) bands (ev): 3.3465 3.3465 3.3749 3.3749 4.7845 4.7845 5.0360 5.0360 5.6144 5.6144 8.4908 8.4908 10.4108 10.4108 12.4445 12.4445 12.9553 12.9553 13.5505 13.5505 14.0449 14.0449 17.5431 17.5431 k = 0.3100 0.5000-0.0000 ( 1670 PWs) bands (ev): 3.3353 3.3353 3.3616 3.3616 4.7639 4.7639 5.0201 5.0201 5.6606 5.6606 8.5174 8.5174 10.5293 10.5293 12.5350 12.5350 12.9240 12.9240 13.6429 13.6429 14.0103 14.0103 17.5109 17.5109 k = 0.3200 0.5000-0.0000 ( 1670 PWs) bands (ev): 3.3239 3.3239 3.3488 3.3488 4.7436 4.7436 5.0050 5.0050 5.7064 5.7064 8.5462 8.5462 10.6481 10.6481 12.6229 12.6229 12.8948 12.8948 13.7287 13.7287 13.9771 13.9771 17.4830 17.4830 k = 0.3300 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.3122 3.3122 3.3365 3.3365 4.7239 4.7239 4.9907 4.9907 5.7515 5.7515 8.5773 8.5773 10.7667 10.7667 12.7042 12.7042 12.8714 12.8714 13.8066 13.8066 13.9455 13.9455 17.4605 17.4605 k = 0.3400 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.3002 3.3002 3.3250 3.3250 4.7049 4.7049 4.9772 4.9772 5.7954 5.7954 8.6104 8.6104 10.8848 10.8848 12.7610 12.7610 12.8719 12.8719 13.8754 13.8754 13.9154 13.9154 17.4442 17.4442 k = 0.3500 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.2879 3.2879 3.3142 3.3142 4.6867 4.6867 4.9646 4.9646 5.8379 5.8379 8.6454 8.6454 11.0018 11.0018 12.7652 12.7652 12.9239 12.9239 13.8869 13.8869 13.9340 13.9340 17.4347 17.4347 k = 0.3600 0.5000-0.0000 ( 1664 PWs) bands (ev): 3.2757 3.2757 3.3043 3.3043 4.6693 4.6693 4.9527 4.9527 5.8787 5.8787 8.6822 8.6822 11.1171 11.1171 12.7457 12.7457 12.9988 12.9988 13.8601 13.8601 13.9813 13.9813 17.4317 17.4317 k = 0.3700 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.2637 3.2637 3.2951 3.2951 4.6528 4.6528 4.9416 4.9416 5.9175 5.9175 8.7203 8.7203 11.2299 11.2299 12.7222 12.7222 13.0768 13.0768 13.8351 13.8351 14.0167 14.0167 17.4332 17.4332 k = 0.3800 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.2520 3.2520 3.2867 3.2867 4.6373 4.6373 4.9312 4.9312 5.9540 5.9540 8.7594 8.7594 11.3393 11.3393 12.6996 12.6996 13.1534 13.1534 13.8119 13.8119 14.0398 14.0398 17.4276 17.4276 k = 0.3900 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.2408 3.2408 3.2788 3.2788 4.6229 4.6229 4.9217 4.9217 5.9881 5.9881 8.7990 8.7990 11.4440 11.4440 12.6800 12.6800 13.2269 13.2269 13.7906 13.7906 14.0507 14.0507 17.3750 17.3750 k = 0.4000 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.2303 3.2303 3.2717 3.2717 4.6096 4.6096 4.9129 4.9129 6.0195 6.0195 8.8387 8.8387 11.5427 11.5427 12.6648 12.6648 13.2963 13.2963 13.7712 13.7712 14.0499 14.0499 17.2797 17.2797 k = 0.4100 0.5000-0.0000 ( 1662 PWs) bands (ev): 3.2205 3.2205 3.2651 3.2651 4.5974 4.5974 4.9049 4.9049 6.0482 6.0482 8.8777 8.8777 11.6336 11.6336 12.6558 12.6558 13.3610 13.3610 13.7538 13.7538 14.0382 14.0382 17.1801 17.1801 k = 0.4200 0.5000-0.0000 ( 1662 PWs) bands (ev): 3.2115 3.2115 3.2592 3.2592 4.5864 4.5864 4.8978 4.8978 6.0741 6.0741 8.9155 8.9155 11.7148 11.7148 12.6544 12.6544 13.4200 13.4200 13.7386 13.7386 14.0171 14.0171 17.0863 17.0863 k = 0.4300 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.2035 3.2035 3.2540 3.2540 4.5767 4.5767 4.8914 4.8914 6.0970 6.0970 8.9513 8.9513 11.7845 11.7845 12.6621 12.6621 13.4726 13.4726 13.7255 13.7255 13.9883 13.9883 17.0013 17.0013 k = 0.4400 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.1964 3.1964 3.2494 3.2494 4.5681 4.5681 4.8859 4.8859 6.1169 6.1169 8.9843 8.9843 11.8414 11.8414 12.6792 12.6792 13.5179 13.5179 13.7148 13.7148 13.9540 13.9540 16.9262 16.9262 k = 0.4500 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.1904 3.1904 3.2455 3.2455 4.5609 4.5609 4.8812 4.8812 6.1338 6.1338 9.0139 9.0139 11.8852 11.8852 12.7048 12.7048 13.5550 13.5550 13.7064 13.7064 13.9172 13.9172 16.8617 16.8617 k = 0.4600 0.5000-0.0000 ( 1658 PWs) bands (ev): 3.1854 3.1854 3.2423 3.2423 4.5550 4.5550 4.8773 4.8773 6.1476 6.1476 9.0393 9.0393 11.9168 11.9168 12.7363 12.7363 13.5830 13.5830 13.7001 13.7001 13.8812 13.8812 16.8083 16.8083 k = 0.4700 0.5000-0.0000 ( 1650 PWs) bands (ev): 3.1814 3.1814 3.2399 3.2399 4.5503 4.5503 4.8743 4.8743 6.1584 6.1584 9.0598 9.0598 11.9382 11.9382 12.7694 12.7694 13.6020 13.6020 13.6948 13.6948 13.8503 13.8503 16.7665 16.7665 k = 0.4800 0.5000-0.0000 ( 1648 PWs) bands (ev): 3.1786 3.1786 3.2381 3.2381 4.5470 4.5470 4.8722 4.8722 6.1661 6.1661 9.0749 9.0749 11.9515 11.9515 12.7988 12.7988 13.6131 13.6131 13.6895 13.6895 13.8281 13.8281 16.7364 16.7364 k = 0.4900 0.5000-0.0000 ( 1652 PWs) bands (ev): 3.1769 3.1769 3.2370 3.2370 4.5450 4.5450 4.8709 4.8709 6.1707 6.1707 9.0841 9.0841 11.9586 11.9586 12.8191 12.8191 13.6185 13.6185 13.6844 13.6844 13.8159 13.8159 16.7183 16.7183 k = 0.5000 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.1763 3.1763 3.2366 3.2366 4.5443 4.5443 4.8705 4.8705 6.1722 6.1722 9.0872 9.0872 11.9608 11.9608 12.8264 12.8264 13.6200 13.6200 13.6821 13.6821 13.8122 13.8122 16.7123 16.7123 k = 0.5000 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.1763 3.1763 3.2366 3.2366 4.5443 4.5443 4.8705 4.8705 6.1722 6.1722 9.0872 9.0872 11.9608 11.9608 12.8264 12.8264 13.6200 13.6200 13.6821 13.6821 13.8122 13.8122 16.7123 16.7123 k = 0.4930 0.4930-0.0000 ( 1644 PWs) bands (ev): 3.1769 3.1769 3.2370 3.2370 4.5450 4.5450 4.8709 4.8709 6.1707 6.1707 9.0841 9.0841 11.9586 11.9586 12.8192 12.8192 13.6185 13.6185 13.6844 13.6844 13.8159 13.8159 16.7183 16.7183 k = 0.4859 0.4859-0.0000 ( 1644 PWs) bands (ev): 3.1786 3.1786 3.2381 3.2381 4.5470 4.5470 4.8722 4.8722 6.1661 6.1661 9.0748 9.0748 11.9519 11.9519 12.7989 12.7989 13.6134 13.6134 13.6892 13.6892 13.8279 13.8279 16.7361 16.7361 k = 0.4789 0.4789-0.0000 ( 1652 PWs) bands (ev): 3.1814 3.1814 3.2398 3.2398 4.5503 4.5503 4.8743 4.8743 6.1586 6.1586 9.0592 9.0592 11.9402 11.9402 12.7696 12.7696 13.6036 13.6036 13.6936 13.6936 13.8495 13.8495 16.7654 16.7654 k = 0.4718 0.4718-0.0000 ( 1656 PWs) bands (ev): 3.1853 3.1853 3.2423 3.2423 4.5549 4.5549 4.8772 4.8772 6.1481 6.1481 9.0370 9.0370 11.9229 11.9229 12.7361 12.7361 13.5875 13.5875 13.6965 13.6965 13.8797 13.8797 16.8056 16.8056 k = 0.4648 0.4648-0.0000 ( 1654 PWs) bands (ev): 3.1902 3.1902 3.2455 3.2455 4.5608 4.5608 4.8810 4.8810 6.1347 6.1347 9.0081 9.0081 11.8995 11.8995 12.7029 12.7029 13.5641 13.5641 13.6989 13.6989 13.9151 13.9151 16.8557 16.8557 k = 0.4577 0.4577-0.0000 ( 1654 PWs) bands (ev): 3.1962 3.1962 3.2494 3.2494 4.5680 4.5680 4.8856 4.8856 6.1186 6.1186 8.9723 8.9723 11.8699 11.8699 12.6738 12.6738 13.5334 13.5334 13.7018 13.7018 13.9521 13.9521 16.9144 16.9144 k = 0.4507 0.4507-0.0000 ( 1656 PWs) bands (ev): 3.2032 3.2032 3.2539 3.2539 4.5764 4.5764 4.8908 4.8908 6.0998 6.0998 8.9292 8.9292 11.8347 11.8347 12.6511 12.6511 13.4960 13.4960 13.7060 13.7060 13.9878 13.9878 16.9802 16.9802 k = 0.4437 0.4437-0.0000 ( 1660 PWs) bands (ev): 3.2111 3.2111 3.2591 3.2591 4.5861 4.5861 4.8969 4.8969 6.0785 6.0785 8.8786 8.8786 11.7951 11.7951 12.6357 12.6357 13.4526 13.4526 13.7116 13.7116 14.0203 14.0203 17.0513 17.0513 k = 0.4366 0.4366-0.0000 ( 1660 PWs) bands (ev): 3.2199 3.2199 3.2650 3.2650 4.5969 4.5969 4.9035 4.9035 6.0548 6.0548 8.8204 8.8204 11.7528 11.7528 12.6275 12.6275 13.4044 13.4044 13.7185 13.7185 14.0485 14.0485 17.1252 17.1252 k = 0.4296 0.4296-0.0000 ( 1660 PWs) bands (ev): 3.2295 3.2295 3.2716 3.2716 4.6090 4.6090 4.9108 4.9108 6.0290 6.0290 8.7545 8.7545 11.7098 11.7098 12.6256 12.6256 13.3521 13.3521 13.7267 13.7267 14.0716 14.0716 17.1991 17.1991 k = 0.4225 0.4225-0.0000 ( 1660 PWs) bands (ev): 3.2397 3.2397 3.2788 3.2788 4.6222 4.6222 4.9187 4.9187 6.0011 6.0011 8.6807 8.6807 11.6680 11.6680 12.6287 12.6287 13.2967 13.2967 13.7360 13.7360 14.0892 14.0892 17.2672 17.2672 k = 0.4155 0.4155-0.0000 ( 1660 PWs) bands (ev): 3.2505 3.2505 3.2868 3.2868 4.6366 4.6366 4.9271 4.9271 5.9714 5.9714 8.5993 8.5993 11.6291 11.6291 12.6355 12.6355 13.2391 13.2391 13.7465 13.7465 14.1013 14.1013 17.3053 17.3053 k = 0.4085 0.4085-0.0000 ( 1664 PWs) bands (ev): 3.2617 3.2617 3.2955 3.2955 4.6519 4.6519 4.9360 4.9360 5.9401 5.9401 8.5105 8.5105 11.5945 11.5945 12.6443 12.6443 13.1803 13.1803 13.7581 13.7581 14.1078 14.1078 17.2765 17.2765 k = 0.4014 0.4014-0.0000 ( 1660 PWs) bands (ev): 3.2732 3.2732 3.3051 3.3051 4.6683 4.6683 4.9453 4.9453 5.9073 5.9073 8.4147 8.4147 11.5651 11.5651 12.6535 12.6535 13.1214 13.1214 13.7707 13.7707 14.1090 14.1090 17.2273 17.2273 k = 0.3944 0.3944-0.0000 ( 1660 PWs) bands (ev): 3.2846 3.2846 3.3155 3.3155 4.6857 4.6857 4.9549 4.9549 5.8732 5.8732 8.3123 8.3123 11.5416 11.5416 12.6612 12.6612 13.0638 13.0638 13.7844 13.7844 14.1051 14.1051 17.1772 17.1772 k = 0.3873 0.3873-0.0000 ( 1658 PWs) bands (ev): 3.2959 3.2959 3.3270 3.3270 4.7039 4.7039 4.9648 4.9648 5.8380 5.8380 8.2039 8.2039 11.5243 11.5243 12.6652 12.6652 13.0094 13.0094 13.7991 13.7991 14.0962 14.0962 17.1298 17.1298 k = 0.3803 0.3803-0.0000 ( 1658 PWs) bands (ev): 3.3069 3.3069 3.3393 3.3393 4.7230 4.7230 4.9749 4.9749 5.8019 5.8019 8.0902 8.0902 11.5134 11.5134 12.6624 12.6624 12.9607 12.9607 13.8148 13.8148 14.0827 14.0827 17.0866 17.0866 k = 0.3732 0.3732-0.0000 ( 1660 PWs) bands (ev): 3.3175 3.3175 3.3525 3.3525 4.7428 4.7428 4.9852 4.9852 5.7652 5.7652 7.9719 7.9719 11.5088 11.5088 12.6497 12.6497 12.9206 12.9206 13.8315 13.8315 14.0649 14.0649 17.0484 17.0484 k = 0.3662 0.3662-0.0000 ( 1660 PWs) bands (ev): 3.3279 3.3279 3.3663 3.3663 4.7633 4.7633 4.9955 4.9955 5.7280 5.7280 7.8496 7.8496 11.5105 11.5105 12.6249 12.6249 12.8911 12.8911 13.8491 13.8491 14.0430 14.0430 17.0161 17.0161 k = 0.3592 0.3592-0.0000 ( 1660 PWs) bands (ev): 3.3380 3.3380 3.3806 3.3806 4.7843 4.7843 5.0059 5.0059 5.6905 5.6905 7.7241 7.7241 11.5180 11.5180 12.5887 12.5887 12.8711 12.8711 13.8677 13.8677 14.0175 14.0175 16.9902 16.9902 k = 0.3521 0.3521-0.0000 ( 1664 PWs) bands (ev): 3.3479 3.3479 3.3952 3.3952 4.8057 4.8057 5.0162 5.0162 5.6528 5.6528 7.5961 7.5961 11.5312 11.5312 12.5443 12.5443 12.8574 12.8574 13.8871 13.8871 13.9888 13.9888 16.9713 16.9713 k = 0.3451 0.3451-0.0000 ( 1664 PWs) bands (ev): 3.3575 3.3575 3.4098 3.4098 4.8275 4.8275 5.0264 5.0264 5.6153 5.6153 7.4661 7.4661 11.5496 11.5496 12.4952 12.4952 12.8463 12.8463 13.9068 13.9068 13.9578 13.9578 16.9596 16.9596 k = 0.3380 0.3380-0.0000 ( 1670 PWs) bands (ev): 3.3668 3.3668 3.4244 3.4244 4.8495 4.8495 5.0364 5.0364 5.5780 5.5780 7.3349 7.3349 11.5728 11.5728 12.4442 12.4442 12.8353 12.8353 13.9148 13.9148 13.9369 13.9369 16.9555 16.9555 k = 0.3310 0.3310-0.0000 ( 1670 PWs) bands (ev): 3.3760 3.3760 3.4387 3.4387 4.8715 4.8715 5.0462 5.0462 5.5411 5.5411 7.2031 7.2031 11.6003 11.6003 12.3929 12.3929 12.8224 12.8224 13.8831 13.8831 13.9546 13.9546 16.9592 16.9592 k = 0.3239 0.3239-0.0000 ( 1670 PWs) bands (ev): 3.3848 3.3848 3.4527 3.4527 4.8933 4.8933 5.0556 5.0556 5.5049 5.5049 7.0713 7.0713 11.6315 11.6315 12.3428 12.3428 12.8068 12.8068 13.8456 13.8456 13.9776 13.9776 16.9706 16.9706 k = 0.3169 0.3169-0.0000 ( 1670 PWs) bands (ev): 3.3933 3.3933 3.4661 3.4661 4.9146 4.9146 5.0646 5.0646 5.4696 5.4696 6.9401 6.9401 11.6659 11.6659 12.2947 12.2947 12.7878 12.7878 13.8067 13.8067 14.0019 14.0019 16.9898 16.9898 k = 0.3099 0.3099-0.0000 ( 1668 PWs) bands (ev): 3.4013 3.4013 3.4789 3.4789 4.9352 4.9352 5.0730 5.0730 5.4355 5.4355 6.8101 6.8101 11.7027 11.7027 12.2493 12.2493 12.7651 12.7651 13.7674 13.7674 14.0273 14.0273 17.0164 17.0164 k = 0.3028 0.3028-0.0000 ( 1660 PWs) bands (ev): 3.4090 3.4090 3.4910 3.4910 4.9547 4.9547 5.0807 5.0807 5.4028 5.4028 6.6818 6.6818 11.7409 11.7409 12.2075 12.2075 12.7387 12.7387 13.7286 13.7286 14.0537 14.0537 17.0501 17.0501 k = 0.2958 0.2958-0.0000 ( 1658 PWs) bands (ev): 3.4162 3.4162 3.5021 3.5021 4.9726 4.9726 5.0874 5.0874 5.3721 5.3721 6.5560 6.5560 11.7793 11.7793 12.1701 12.1701 12.7086 12.7086 13.6912 13.6912 14.0811 14.0811 17.0906 17.0906 k = 0.2887 0.2887-0.0000 ( 1668 PWs) bands (ev): 3.4228 3.4228 3.5122 3.5122 4.9882 4.9882 5.0928 5.0928 5.3439 5.3439 6.4334 6.4334 11.8162 11.8162 12.1381 12.1381 12.6750 12.6750 13.6561 13.6561 14.1094 14.1094 17.1372 17.1372 k = 0.2817 0.2817-0.0000 ( 1668 PWs) bands (ev): 3.4288 3.4288 3.5212 3.5212 5.0004 5.0004 5.0967 5.0967 5.3190 5.3190 6.3147 6.3147 11.8495 11.8495 12.1131 12.1131 12.6382 12.6382 13.6246 13.6246 14.1386 14.1386 17.1893 17.1893 k = 0.2746 0.2746-0.0000 ( 1664 PWs) bands (ev): 3.4341 3.4341 3.5291 3.5291 5.0075 5.0075 5.0988 5.0988 5.2986 5.2986 6.2010 6.2010 11.8759 11.8759 12.0974 12.0974 12.5984 12.5984 13.5978 13.5978 14.1687 14.1687 17.2460 17.2460 k = 0.2676 0.2676-0.0000 ( 1660 PWs) bands (ev): 3.4388 3.4388 3.5356 3.5356 5.0071 5.0071 5.1001 5.1001 5.2835 5.2835 6.0933 6.0933 11.8926 11.8926 12.0928 12.0928 12.5560 12.5560 13.5772 13.5772 14.1996 14.1996 17.3061 17.3061 k = 0.2606 0.2606-0.0000 ( 1659 PWs) bands (ev): 3.4427 3.4427 3.5409 3.5409 4.9965 4.9965 5.1016 5.1016 5.2738 5.2738 5.9930 5.9930 11.8992 11.8992 12.0985 12.0985 12.5115 12.5115 13.5642 13.5642 14.2314 14.2314 17.3680 17.3680 k = 0.2535 0.2535-0.0000 ( 1667 PWs) bands (ev): 3.4458 3.4458 3.5448 3.5448 4.9744 4.9744 5.1043 5.1043 5.2688 5.2688 5.9017 5.9017 11.8984 11.8984 12.1106 12.1106 12.4650 12.4650 13.5602 13.5602 14.2639 14.2639 17.4296 17.4296 k = 0.2465 0.2465-0.0000 ( 1667 PWs) bands (ev): 3.4480 3.4480 3.5474 3.5474 4.9412 4.9412 5.1079 5.1079 5.2667 5.2667 5.8209 5.8209 11.8944 11.8944 12.1239 12.1239 12.4171 12.4171 13.5666 13.5666 14.2971 14.2971 17.4881 17.4881 k = 0.2394 0.2394-0.0000 ( 1671 PWs) bands (ev): 3.4492 3.4492 3.5486 3.5486 4.8981 4.8981 5.1117 5.1117 5.2656 5.2656 5.7523 5.7523 11.8900 11.8900 12.1347 12.1347 12.3682 12.3682 13.5843 13.5843 14.3311 14.3311 17.5408 17.5408 k = 0.2324 0.2324-0.0000 ( 1671 PWs) bands (ev): 3.4496 3.4496 3.5484 3.5484 4.8459 4.8459 5.1153 5.1153 5.2639 5.2639 5.6970 5.6970 11.8869 11.8869 12.1405 12.1405 12.3187 12.3187 13.6138 13.6138 14.3657 14.3657 17.5863 17.5863 k = 0.2254 0.2254-0.0000 ( 1667 PWs) bands (ev): 3.4489 3.4489 3.5470 3.5470 4.7859 4.7859 5.1185 5.1185 5.2604 5.2604 5.6555 5.6555 11.8861 11.8861 12.1405 12.1405 12.2692 12.2692 13.6555 13.6555 14.4009 14.4009 17.6255 17.6255 k = 0.2183 0.2183-0.0000 ( 1661 PWs) bands (ev): 3.4472 3.4472 3.5443 3.5443 4.7191 4.7191 5.1211 5.1211 5.2547 5.2547 5.6271 5.6271 11.8877 11.8877 12.1341 12.1341 12.2203 12.2203 13.7088 13.7088 14.4366 14.4366 17.6602 17.6602 k = 0.2113 0.2113-0.0000 ( 1661 PWs) bands (ev): 3.4444 3.4444 3.5404 3.5404 4.6470 4.6470 5.1230 5.1230 5.2472 5.2472 5.6101 5.6101 11.8913 11.8913 12.1214 12.1214 12.1738 12.1738 13.7730 13.7730 14.4728 14.4728 17.6918 17.6918 k = 0.2042 0.2042-0.0000 ( 1663 PWs) bands (ev): 3.4405 3.4405 3.5353 3.5353 4.5711 4.5711 5.1244 5.1244 5.2386 5.2386 5.6024 5.6024 11.8958 11.8958 12.1000 12.1000 12.1342 12.1342 13.8471 13.8471 14.5095 14.5095 17.7207 17.7207 k = 0.1972 0.1972-0.0000 ( 1663 PWs) bands (ev): 3.4355 3.4355 3.5292 3.5292 4.4928 4.4928 5.1252 5.1252 5.2297 5.2297 5.6016 5.6016 11.8985 11.8985 12.0670 12.0670 12.1083 12.1083 13.9300 13.9300 14.5465 14.5465 17.7463 17.7463 k = 0.1901 0.1901-0.0000 ( 1663 PWs) bands (ev): 3.4295 3.4295 3.5220 3.5220 4.4134 4.4134 5.1255 5.1255 5.2212 5.2212 5.6058 5.6058 11.8948 11.8948 12.0313 12.0313 12.0931 12.0931 14.0207 14.0207 14.5837 14.5837 17.7667 17.7667 k = 0.1831 0.1831-0.0000 ( 1667 PWs) bands (ev): 3.4223 3.4223 3.5138 3.5138 4.3341 4.3341 5.1254 5.1254 5.2136 5.2136 5.6135 5.6135 11.8790 11.8790 11.9994 11.9994 12.0887 12.0887 14.1179 14.1179 14.6212 14.6212 17.7782 17.7782 k = 0.1761 0.1761-0.0000 ( 1667 PWs) bands (ev): 3.4141 3.4141 3.5046 3.5046 4.2558 4.2558 5.1248 5.1248 5.2069 5.2069 5.6235 5.6235 11.8505 11.8505 11.9706 11.9706 12.0977 12.0977 14.2206 14.2206 14.6588 14.6588 17.7747 17.7747 k = 0.1690 0.1690-0.0000 ( 1671 PWs) bands (ev): 3.4049 3.4049 3.4943 3.4943 4.1794 4.1794 5.1240 5.1240 5.2012 5.2012 5.6351 5.6351 11.8136 11.8136 11.9418 11.9418 12.1192 12.1192 14.3279 14.3279 14.6964 14.6964 17.7484 17.7484 k = 0.1620 0.1620-0.0000 ( 1671 PWs) bands (ev): 3.3948 3.3948 3.4830 3.4830 4.1054 4.1054 5.1229 5.1229 5.1964 5.1964 5.6477 5.6477 11.7729 11.7729 11.9120 11.9120 12.1505 12.1505 14.4388 14.4388 14.7341 14.7341 17.6939 17.6939 k = 0.1549 0.1549-0.0000 ( 1671 PWs) bands (ev): 3.3837 3.3837 3.4704 3.4704 4.0347 4.0347 5.1217 5.1217 5.1925 5.1925 5.6608 5.6608 11.7309 11.7309 11.8815 11.8815 12.1894 12.1894 14.5524 14.5524 14.7719 14.7719 17.6127 17.6127 k = 0.1479 0.1479-0.0000 ( 1675 PWs) bands (ev): 3.3716 3.3716 3.4566 3.4566 3.9677 3.9677 5.1203 5.1203 5.1893 5.1893 5.6741 5.6741 11.6889 11.6889 11.8508 11.8508 12.2344 12.2344 14.6672 14.6672 14.8102 14.8102 17.5111 17.5111 k = 0.1408 0.1408-0.0000 ( 1671 PWs) bands (ev): 3.3584 3.3584 3.4415 3.4415 3.9051 3.9051 5.1188 5.1188 5.1868 5.1868 5.6875 5.6875 11.6475 11.6475 11.8204 11.8204 12.2847 12.2847 14.7797 14.7797 14.8518 14.8518 17.3958 17.3958 k = 0.1338 0.1338-0.0000 ( 1659 PWs) bands (ev): 3.3441 3.3441 3.4250 3.4250 3.8474 3.8474 5.1172 5.1172 5.1848 5.1848 5.7007 5.7007 11.6072 11.6072 11.7905 11.7905 12.3398 12.3398 14.8639 14.8639 14.9218 14.9218 17.2719 17.2719 k = 0.1268 0.1268-0.0000 ( 1659 PWs) bands (ev): 3.3282 3.3282 3.4075 3.4075 3.7952 3.7952 5.1156 5.1156 5.1834 5.1834 5.7137 5.7137 11.5682 11.5682 11.7614 11.7614 12.3992 12.3992 14.9075 14.9075 15.0315 15.0315 17.1425 17.1425 k = 0.1197 0.1197-0.0000 ( 1659 PWs) bands (ev): 3.3103 3.3103 3.3893 3.3893 3.7486 3.7486 5.1138 5.1138 5.1823 5.1823 5.7262 5.7262 11.5307 11.5307 11.7335 11.7335 12.4626 12.4626 14.9436 14.9436 15.1470 15.1470 17.0099 17.0099 k = 0.1127 0.1127-0.0000 ( 1655 PWs) bands (ev): 3.2899 3.2899 3.3712 3.3712 3.7078 3.7078 5.1120 5.1120 5.1816 5.1816 5.7383 5.7383 11.4950 11.4950 11.7067 11.7067 12.5296 12.5296 14.9776 14.9776 15.2622 15.2622 16.8756 16.8756 k = 0.1056 0.1056-0.0000 ( 1663 PWs) bands (ev): 3.2665 3.2665 3.3540 3.3540 3.6726 3.6726 5.1101 5.1101 5.1813 5.1813 5.7498 5.7498 11.4610 11.4610 11.6813 11.6813 12.6001 12.6001 15.0101 15.0101 15.3754 15.3754 16.7406 16.7406 k = 0.0986 0.0986-0.0000 ( 1667 PWs) bands (ev): 3.2404 3.2404 3.3381 3.3381 3.6427 3.6427 5.1081 5.1081 5.1812 5.1812 5.7608 5.7608 11.4289 11.4289 11.6573 11.6573 12.6735 12.6735 15.0411 15.0411 15.4856 15.4856 16.6058 16.6058 k = 0.0915 0.0915-0.0000 ( 1661 PWs) bands (ev): 3.2123 3.2123 3.3238 3.3238 3.6173 3.6173 5.1061 5.1061 5.1813 5.1813 5.7711 5.7711 11.3987 11.3987 11.6348 11.6348 12.7495 12.7495 15.0706 15.0706 15.5921 15.5921 16.4721 16.4721 k = 0.0845 0.0845-0.0000 ( 1659 PWs) bands (ev): 3.1830 3.1830 3.3110 3.3110 3.5959 3.5959 5.1041 5.1041 5.1816 5.1816 5.7808 5.7808 11.3706 11.3706 11.6139 11.6139 12.8277 12.8277 15.0985 15.0985 15.6940 15.6940 16.3401 16.3401 k = 0.0775 0.0775-0.0000 ( 1663 PWs) bands (ev): 3.1535 3.1535 3.2995 3.2995 3.5777 3.5777 5.1021 5.1021 5.1821 5.1821 5.7897 5.7897 11.3445 11.3445 11.5946 11.5946 12.9075 12.9075 15.1246 15.1246 15.7903 15.7903 16.2107 16.2107 k = 0.0704 0.0704-0.0000 ( 1655 PWs) bands (ev): 3.1246 3.1246 3.2892 3.2892 3.5624 3.5624 5.1001 5.1001 5.1826 5.1826 5.7980 5.7980 11.3206 11.3206 11.5769 11.5769 12.9884 12.9884 15.1487 15.1488 15.8797 15.8797 16.0856 16.0856 k = 0.0634 0.0634-0.0000 ( 1655 PWs) bands (ev): 3.0972 3.0972 3.2800 3.2800 3.5493 3.5493 5.0982 5.0982 5.1832 5.1832 5.8055 5.8055 11.2988 11.2988 11.5609 11.5609 13.0695 13.0695 15.1708 15.1708 15.9393 15.9393 15.9875 15.9875 k = 0.0563 0.0563-0.0000 ( 1655 PWs) bands (ev): 3.0716 3.0716 3.2718 3.2718 3.5382 3.5382 5.0965 5.0965 5.1838 5.1838 5.8122 5.8122 11.2793 11.2793 11.5466 11.5466 13.1500 13.1500 15.1906 15.1906 15.8401 15.8401 16.0463 16.0463 k = 0.0493 0.0493-0.0000 ( 1651 PWs) bands (ev): 3.0483 3.0483 3.2645 3.2645 3.5289 3.5289 5.0948 5.0948 5.1844 5.1844 5.8182 5.8182 11.2620 11.2620 11.5339 11.5339 13.2288 13.2288 15.2078 15.2078 15.7306 15.7306 16.1139 16.1139 k = 0.0423 0.0423-0.0000 ( 1649 PWs) bands (ev): 3.0277 3.0277 3.2582 3.2582 3.5210 3.5210 5.0934 5.0934 5.1850 5.1850 5.8235 5.8235 11.2469 11.2469 11.5230 11.5230 13.3043 13.3043 15.2221 15.2221 15.6286 15.6286 16.1742 16.1742 k = 0.0352 0.0352-0.0000 ( 1645 PWs) bands (ev): 3.0099 3.0099 3.2529 3.2529 3.5146 3.5146 5.0921 5.0921 5.1856 5.1856 5.8279 5.8279 11.2341 11.2341 11.5137 11.5137 13.3748 13.3748 15.2328 15.2328 15.5370 15.5370 16.2259 16.2259 k = 0.0282 0.0282-0.0000 ( 1643 PWs) bands (ev): 2.9951 2.9951 3.2486 3.2486 3.5094 3.5094 5.0910 5.0910 5.1860 5.1860 5.8315 5.8315 11.2236 11.2236 11.5061 11.5061 13.4380 13.4380 15.2388 15.2388 15.4591 15.4591 16.2687 16.2687 k = 0.0211 0.0211-0.0000 ( 1639 PWs) bands (ev): 2.9835 2.9835 3.2452 3.2452 3.5054 3.5054 5.0901 5.0901 5.1864 5.1864 5.8344 5.8344 11.2155 11.2155 11.5002 11.5002 13.4915 13.4915 15.2386 15.2386 15.3993 15.3993 16.3022 16.3022 k = 0.0141 0.0141-0.0000 ( 1631 PWs) bands (ev): 2.9752 2.9752 3.2428 3.2428 3.5026 3.5026 5.0895 5.0895 5.1867 5.1867 5.8364 5.8364 11.2096 11.2096 11.4960 11.4960 13.5325 13.5325 15.2312 15.2312 15.3610 15.3610 16.3263 16.3263 k = 0.0070 0.0070-0.0000 ( 1625 PWs) bands (ev): 2.9702 2.9702 3.2413 3.2413 3.5010 3.5010 5.0891 5.0891 5.1869 5.1869 5.8376 5.8376 11.2061 11.2061 11.4934 11.4934 13.5584 13.5584 15.2211 15.2211 15.3424 15.3424 16.3408 16.3408 k = 0.0000 0.0000 0.0000 ( 1625 PWs) bands (ev): 2.9685 2.9685 3.2408 3.2408 3.5004 3.5004 5.0890 5.0890 5.1869 5.1869 5.8380 5.8380 11.2050 11.2050 11.4926 11.4926 13.5673 13.5673 15.2164 15.2164 15.3373 15.3373 16.3456 16.3456 k = 0.0000 0.0000 0.0000 ( 1625 PWs) bands (ev): 2.9685 2.9685 3.2408 3.2408 3.5004 3.5004 5.0890 5.0890 5.1869 5.1869 5.8380 5.8380 11.2050 11.2050 11.4926 11.4926 13.5673 13.5673 15.2164 15.2164 15.3373 15.3373 16.3456 16.3456 k = 0.0000 0.0000 0.0099 ( 1625 PWs) bands (ev): 2.9695 2.9695 3.2410 3.2410 3.5015 3.5015 5.0894 5.0894 5.1871 5.1871 5.8381 5.8381 11.2043 11.2043 11.4867 11.4867 13.5652 13.5652 15.2127 15.2127 15.3339 15.3339 16.3454 16.3454 k = 0.0000 0.0000 0.0199 ( 1633 PWs) bands (ev): 2.9727 2.9727 3.2413 3.2413 3.5048 3.5048 5.0907 5.0907 5.1876 5.1876 5.8384 5.8384 11.2025 11.2025 11.4690 11.4690 13.5592 13.5592 15.2017 15.2017 15.3238 15.3238 16.3447 16.3447 k = 0.0000 0.0000 0.0298 ( 1629 PWs) bands (ev): 2.9780 2.9780 3.2419 3.2419 3.5104 3.5104 5.0929 5.0929 5.1884 5.1884 5.8390 5.8390 11.1994 11.1994 11.4397 11.4397 13.5496 13.5496 15.1836 15.1836 15.3072 15.3072 16.3435 16.3435 k = 0.0000 0.0000 0.0397 ( 1629 PWs) bands (ev): 2.9852 2.9852 3.2428 3.2428 3.5184 3.5184 5.0959 5.0959 5.1895 5.1895 5.8397 5.8397 11.1951 11.1951 11.3987 11.3987 13.5368 13.5368 15.1587 15.1587 15.2844 15.2844 16.3418 16.3418 k = 0.0000 0.0000 0.0496 ( 1629 PWs) bands (ev): 2.9943 2.9943 3.2439 3.2439 3.5286 3.5286 5.0998 5.0998 5.1909 5.1909 5.8407 5.8407 11.1897 11.1897 11.3464 11.3464 13.5214 13.5214 15.1272 15.1272 15.2557 15.2557 16.3397 16.3397 k = 0.0000 0.0000 0.0596 ( 1637 PWs) bands (ev): 3.0051 3.0051 3.2452 3.2452 3.5414 3.5414 5.1045 5.1045 5.1927 5.1927 5.8419 5.8419 11.1831 11.1831 11.2829 11.2829 13.5041 13.5041 15.0898 15.0898 15.2215 15.2215 16.3372 16.3372 k = 0.0000 0.0000 0.0695 ( 1637 PWs) bands (ev): 3.0174 3.0174 3.2467 3.2467 3.5568 3.5568 5.1102 5.1102 5.1947 5.1947 5.8433 5.8433 11.1754 11.1754 11.2087 11.2087 13.4855 13.4855 15.0470 15.0470 15.1825 15.1825 16.3343 16.3343 k = 0.0000 0.0000 0.0794 ( 1657 PWs) bands (ev): 3.0311 3.0311 3.2484 3.2484 3.5748 3.5748 5.1167 5.1167 5.1969 5.1969 5.8448 5.8448 11.1241 11.1241 11.1668 11.1668 13.4663 13.4663 14.9994 14.9994 15.1391 15.1391 16.3310 16.3310 k = 0.0000 0.0000 0.0894 ( 1653 PWs) bands (ev): 3.0459 3.0459 3.2503 3.2503 3.5956 3.5956 5.1242 5.1242 5.1995 5.1995 5.8465 5.8465 11.0299 11.0299 11.1571 11.1571 13.4471 13.4471 14.9477 14.9477 15.0919 15.0919 16.3274 16.3274 k = 0.0000 0.0000 0.0993 ( 1653 PWs) bands (ev): 3.0616 3.0616 3.2524 3.2524 3.6194 3.6194 5.1327 5.1327 5.2023 5.2023 5.8484 5.8484 10.9266 10.9266 11.1466 11.1466 13.4281 13.4281 14.8925 14.8925 15.0415 15.0415 16.3235 16.3235 k = 0.0000 0.0000 0.1092 ( 1658 PWs) bands (ev): 3.0780 3.0780 3.2547 3.2547 3.6463 3.6463 5.1421 5.1421 5.2053 5.2053 5.8505 5.8505 10.8149 10.8149 11.1352 11.1352 13.4098 13.4098 14.8345 14.8345 14.9885 14.9885 16.3193 16.3193 k = 0.0000 0.0000 0.1192 ( 1658 PWs) bands (ev): 3.0948 3.0948 3.2571 3.2571 3.6762 3.6762 5.1525 5.1525 5.2086 5.2086 5.8527 5.8527 10.6957 10.6957 11.1231 11.1231 13.3923 13.3923 14.7744 14.7744 14.9333 14.9333 16.3148 16.3148 k = 0.0000 0.0000 0.1291 ( 1658 PWs) bands (ev): 3.1118 3.1118 3.2597 3.2597 3.7094 3.7094 5.1640 5.1640 5.2120 5.2120 5.8550 5.8550 10.5697 10.5697 11.1103 11.1103 13.3759 13.3759 14.7128 14.7128 14.8766 14.8766 16.3102 16.3102 k = 0.0000 0.0000 0.1390 ( 1666 PWs) bands (ev): 3.1287 3.1287 3.2624 3.2624 3.7456 3.7456 5.1767 5.1767 5.2156 5.2156 5.8575 5.8575 10.4377 10.4377 11.0969 11.0969 13.3605 13.3605 14.6503 14.6503 14.8189 14.8189 16.3053 16.3053 k = 0.0000 0.0000 0.1489 ( 1666 PWs) bands (ev): 3.1456 3.1456 3.2652 3.2652 3.7850 3.7850 5.1905 5.1905 5.2194 5.2194 5.8601 5.8601 10.3006 10.3006 11.0831 11.0831 13.3462 13.3462 14.5873 14.5873 14.7605 14.7605 16.3003 16.3003 k = 0.0000 0.0000 0.1589 ( 1666 PWs) bands (ev): 3.1621 3.1621 3.2681 3.2681 3.8274 3.8274 5.2057 5.2057 5.2232 5.2232 5.8627 5.8627 10.1590 10.1590 11.0689 11.0689 13.3330 13.3330 14.5245 14.5245 14.7020 14.7020 16.2951 16.2951 k = 0.0000 0.0000 0.1688 ( 1666 PWs) bands (ev): 3.1782 3.1782 3.2710 3.2710 3.8727 3.8727 5.2222 5.2222 5.2272 5.2272 5.8654 5.8654 10.0138 10.0138 11.0544 11.0544 13.3208 13.3208 14.4623 14.4623 14.6437 14.6437 16.2899 16.2899 k = 0.0000 0.0000 0.1787 ( 1670 PWs) bands (ev): 3.1937 3.1937 3.2740 3.2740 3.9205 3.9205 5.2312 5.2312 5.2404 5.2404 5.8682 5.8682 9.8657 9.8657 11.0397 11.0397 13.3096 13.3096 14.4010 14.4010 14.5861 14.5861 16.2846 16.2846 k = 0.0000 0.0000 0.1887 ( 1670 PWs) bands (ev): 3.2087 3.2087 3.2770 3.2770 3.9705 3.9705 5.2352 5.2352 5.2603 5.2603 5.8710 5.8710 9.7153 9.7153 11.0249 11.0249 13.2992 13.2992 14.3411 14.3411 14.5294 14.5294 16.2793 16.2793 k = 0.0000 0.0000 0.1986 ( 1682 PWs) bands (ev): 3.2230 3.2230 3.2800 3.2800 4.0225 4.0225 5.2393 5.2393 5.2821 5.2821 5.8738 5.8738 9.5633 9.5633 11.0101 11.0101 13.2896 13.2896 14.2828 14.2828 14.4740 14.4740 16.2740 16.2740 k = 0.0000 0.0000 0.2085 ( 1674 PWs) bands (ev): 3.2367 3.2367 3.2831 3.2831 4.0759 4.0759 5.2434 5.2434 5.3062 5.3062 5.8766 5.8766 9.4103 9.4103 10.9955 10.9955 13.2808 13.2808 14.2265 14.2265 14.4202 14.4202 16.2688 16.2688 k = 0.0000 0.0000 0.2185 ( 1674 PWs) bands (ev): 3.2497 3.2497 3.2860 3.2860 4.1302 4.1302 5.2474 5.2474 5.3327 5.3327 5.8794 5.8794 9.2569 9.2569 10.9811 10.9811 13.2725 13.2725 14.1725 14.1725 14.3682 14.3682 16.2636 16.2636 k = 0.0000 0.0000 0.2284 ( 1682 PWs) bands (ev): 3.2619 3.2619 3.2889 3.2889 4.1849 4.1849 5.2513 5.2513 5.3619 5.3619 5.8821 5.8821 9.1038 9.1038 10.9670 10.9670 13.2649 13.2649 14.1209 14.1209 14.3183 14.3183 16.2586 16.2586 k = 0.0000 0.0000 0.2383 ( 1682 PWs) bands (ev): 3.2735 3.2735 3.2917 3.2917 4.2392 4.2392 5.2551 5.2551 5.3943 5.3943 5.8848 5.8848 8.9514 8.9514 10.9533 10.9533 13.2578 13.2578 14.0721 14.0721 14.2707 14.2707 16.2537 16.2537 k = 0.0000 0.0000 0.2482 ( 1682 PWs) bands (ev): 3.2843 3.2843 3.2945 3.2945 4.2926 4.2926 5.2588 5.2588 5.4300 5.4300 5.8874 5.8874 8.8004 8.8004 10.9401 10.9401 13.2512 13.2512 14.0261 14.0261 14.2256 14.2256 16.2490 16.2490 k = 0.0000 0.0000 0.2582 ( 1686 PWs) bands (ev): 3.2944 3.2944 3.2971 3.2971 4.3443 4.3443 5.2624 5.2624 5.4694 5.4694 5.8899 5.8899 8.6513 8.6513 10.9274 10.9274 13.2450 13.2450 13.9831 13.9831 14.1831 14.1831 16.2445 16.2445 k = 0.0000 0.0000 0.2681 ( 1678 PWs) bands (ev): 3.2996 3.2996 3.3037 3.3037 4.3937 4.3937 5.2658 5.2658 5.5127 5.5127 5.8922 5.8922 8.5050 8.5050 10.9155 10.9155 13.2392 13.2392 13.9433 13.9433 14.1435 14.1435 16.2403 16.2403 k = 0.0000 0.0000 0.2780 ( 1670 PWs) bands (ev): 3.3019 3.3019 3.3124 3.3124 4.4401 4.4401 5.2689 5.2689 5.5599 5.5599 5.8945 5.8945 8.3620 8.3620 10.9043 10.9043 13.2338 13.2338 13.9067 13.9067 14.1069 14.1069 16.2363 16.2363 k = 0.0000 0.0000 0.2880 ( 1670 PWs) bands (ev): 3.3041 3.3041 3.3202 3.3202 4.4829 4.4829 5.2719 5.2719 5.6108 5.6108 5.8966 5.8966 8.2233 8.2233 10.8939 10.8939 13.2288 13.2288 13.8735 13.8735 14.0734 14.0734 16.2326 16.2326 k = 0.0000 0.0000 0.2979 ( 1670 PWs) bands (ev): 3.3061 3.3061 3.3272 3.3272 4.5216 4.5216 5.2746 5.2746 5.6650 5.6650 5.8985 5.8985 8.0898 8.0898 10.8845 10.8845 13.2242 13.2242 13.8438 13.8438 14.0431 14.0431 16.2293 16.2293 k = 0.0000 0.0000 0.3078 ( 1678 PWs) bands (ev): 3.3078 3.3078 3.3334 3.3334 4.5560 4.5560 5.2770 5.2770 5.7216 5.7216 5.9002 5.9002 7.9629 7.9629 10.8760 10.8760 13.2200 13.2200 13.8175 13.8175 14.0161 14.0161 16.2262 16.2262 k = 0.0000 0.0000 0.3178 ( 1686 PWs) bands (ev): 3.3094 3.3094 3.3388 3.3388 4.5859 4.5859 5.2791 5.2791 5.7794 5.7794 5.9017 5.9017 7.8440 7.8440 10.8685 10.8685 13.2162 13.2162 13.7947 13.7947 13.9926 13.9926 16.2236 16.2236 k = 0.0000 0.0000 0.3277 ( 1686 PWs) bands (ev): 3.3107 3.3107 3.3434 3.3434 4.6110 4.6110 5.2810 5.2810 5.8366 5.8366 5.9030 5.9030 7.7351 7.7351 10.8621 10.8621 13.2130 13.2130 13.7754 13.7754 13.9725 13.9725 16.2213 16.2213 k = 0.0000 0.0000 0.3376 ( 1686 PWs) bands (ev): 3.3119 3.3119 3.3472 3.3472 4.6315 4.6315 5.2825 5.2825 5.8906 5.8906 5.9040 5.9040 7.6388 7.6388 10.8567 10.8567 13.2102 13.2102 13.7597 13.7597 13.9560 13.9560 16.2194 16.2194 k = 0.0000 0.0000 0.3475 ( 1686 PWs) bands (ev): 3.3127 3.3127 3.3501 3.3501 4.6473 4.6473 5.2837 5.2837 5.9049 5.9049 5.9385 5.9385 7.5581 7.5581 10.8526 10.8526 13.2080 13.2080 13.7474 13.7474 13.9432 13.9432 16.2179 16.2179 k = 0.0000 0.0000 0.3575 ( 1674 PWs) bands (ev): 3.3134 3.3134 3.3523 3.3523 4.6585 4.6585 5.2846 5.2846 5.9055 5.9055 5.9767 5.9767 7.4966 7.4966 10.8496 10.8496 13.2065 13.2065 13.7387 13.7387 13.9339 13.9339 16.2169 16.2169 k = 0.0000 0.0000 0.3674 ( 1674 PWs) bands (ev): 3.3137 3.3137 3.3536 3.3536 4.6653 4.6653 5.2851 5.2851 5.9059 5.9059 6.0014 6.0014 7.4578 7.4578 10.8478 10.8478 13.2055 13.2055 13.7335 13.7335 13.9284 13.9284 16.2162 16.2162 k = 0.0000 0.0000 0.3773 ( 1674 PWs) bands (ev): 3.3139 3.3139 3.3540 3.3540 4.6675 4.6675 5.2853 5.2853 5.9060 5.9060 6.0101 6.0101 7.4446 7.4446 10.8472 10.8472 13.2052 13.2052 13.7317 13.7317 13.9266 13.9266 16.2160 16.2160 k = 0.0000 0.0000 0.3773 ( 1674 PWs) bands (ev): 3.3139 3.3139 3.3540 3.3540 4.6675 4.6675 5.2853 5.2853 5.9060 5.9060 6.0101 6.0101 7.4446 7.4446 10.8472 10.8472 13.2052 13.2052 13.7317 13.7317 13.9266 13.9266 16.2160 16.2160 k = 0.0000 0.0100 0.3773 ( 1674 PWs) bands (ev): 3.3142 3.3142 3.3546 3.3546 4.6677 4.6677 5.2847 5.2847 5.9051 5.9051 6.0097 6.0097 7.4480 7.4480 10.8491 10.8491 13.2063 13.2063 13.7317 13.7317 13.9263 13.9263 16.2138 16.2138 k = 0.0000 0.0200 0.3773 ( 1674 PWs) bands (ev): 3.3152 3.3152 3.3565 3.3565 4.6682 4.6682 5.2832 5.2832 5.9022 5.9022 6.0085 6.0085 7.4582 7.4582 10.8550 10.8550 13.2095 13.2095 13.7316 13.7316 13.9258 13.9258 16.2072 16.2072 k = 0.0000 0.0300 0.3773 ( 1670 PWs) bands (ev): 3.3166 3.3166 3.3599 3.3599 4.6691 4.6691 5.2805 5.2805 5.8974 5.8974 6.0067 6.0067 7.4750 7.4750 10.8648 10.8648 13.2149 13.2149 13.7310 13.7310 13.9255 13.9255 16.1962 16.1962 k = 0.0000 0.0400 0.3773 ( 1670 PWs) bands (ev): 3.3182 3.3182 3.3649 3.3649 4.6705 4.6705 5.2769 5.2769 5.8909 5.8909 6.0042 6.0042 7.4984 7.4984 10.8784 10.8784 13.2224 13.2224 13.7291 13.7291 13.9260 13.9260 16.1809 16.1809 k = 0.0000 0.0500 0.3773 ( 1674 PWs) bands (ev): 3.3197 3.3197 3.3716 3.3716 4.6724 4.6724 5.2723 5.2723 5.8825 5.8825 6.0013 6.0013 7.5282 7.5282 10.8958 10.8958 13.2319 13.2319 13.7252 13.7252 13.9282 13.9282 16.1615 16.1615 k = 0.0000 0.0600 0.3773 ( 1678 PWs) bands (ev): 3.3211 3.3211 3.3800 3.3800 4.6751 4.6751 5.2668 5.2668 5.8726 5.8726 5.9981 5.9981 7.5640 7.5640 10.9168 10.9168 13.2433 13.2433 13.7185 13.7185 13.9332 13.9332 16.1382 16.1382 k = 0.0000 0.0700 0.3773 ( 1678 PWs) bands (ev): 3.3222 3.3222 3.3901 3.3901 4.6785 4.6785 5.2604 5.2604 5.8612 5.8612 5.9946 5.9946 7.6057 7.6057 10.9413 10.9413 13.2564 13.2564 13.7083 13.7083 13.9416 13.9416 16.1110 16.1110 k = 0.0000 0.0800 0.3773 ( 1682 PWs) bands (ev): 3.3231 3.3231 3.4015 3.4015 4.6829 4.6829 5.2533 5.2533 5.8484 5.8484 5.9910 5.9910 7.6529 7.6529 10.9693 10.9693 13.2709 13.2709 13.6945 13.6945 13.9538 13.9538 16.0802 16.0802 k = 0.0000 0.0900 0.3773 ( 1682 PWs) bands (ev): 3.3238 3.3238 3.4140 3.4140 4.6885 4.6885 5.2455 5.2455 5.8346 5.8346 5.9874 5.9874 7.7055 7.7055 11.0005 11.0005 13.2863 13.2863 13.6775 13.6775 13.9700 13.9700 16.0460 16.0460 k = 0.0000 0.1000 0.3773 ( 1680 PWs) bands (ev): 3.3243 3.3243 3.4273 3.4273 4.6955 4.6955 5.2371 5.2371 5.8199 5.8199 5.9839 5.9839 7.7631 7.7631 11.0347 11.0347 13.3019 13.3019 13.6581 13.6581 13.9899 13.9899 16.0087 16.0087 k = 0.0000 0.1100 0.3773 ( 1676 PWs) bands (ev): 3.3247 3.3247 3.4411 3.4411 4.7040 4.7040 5.2282 5.2282 5.8045 5.8045 5.9805 5.9805 7.8255 7.8255 11.0718 11.0718 13.3164 13.3164 13.6378 13.6378 14.0132 14.0132 15.9685 15.9685 k = 0.0000 0.1200 0.3773 ( 1676 PWs) bands (ev): 3.3249 3.3249 3.4551 3.4551 4.7143 4.7143 5.2189 5.2189 5.7886 5.7886 5.9775 5.9775 7.8924 7.8924 11.1116 11.1116 13.3279 13.3279 13.6190 13.6190 14.0397 14.0397 15.9257 15.9257 k = 0.0000 0.1300 0.3773 ( 1684 PWs) bands (ev): 3.3250 3.3250 3.4689 3.4689 4.7265 4.7265 5.2093 5.2093 5.7724 5.7724 5.9748 5.9748 7.9637 7.9637 11.1538 11.1538 13.3332 13.3332 13.6049 13.6049 14.0689 14.0689 15.8806 15.8806 k = 0.0000 0.1400 0.3773 ( 1684 PWs) bands (ev): 3.3250 3.3250 3.4821 3.4821 4.7408 4.7408 5.1996 5.1996 5.7561 5.7561 5.9727 5.9727 8.0390 8.0390 11.1981 11.1981 13.3288 13.3288 13.5992 13.5992 14.1007 14.1007 15.8334 15.8334 k = 0.0000 0.1500 0.3773 ( 1686 PWs) bands (ev): 3.3249 3.3249 3.4946 3.4946 4.7572 4.7572 5.1898 5.1898 5.7399 5.7399 5.9713 5.9713 8.1181 8.1181 11.2443 11.2443 13.3121 13.3121 13.6046 13.6046 14.1349 14.1349 15.7845 15.7845 k = 0.0000 0.1600 0.3773 ( 1678 PWs) bands (ev): 3.3248 3.3248 3.5059 3.5059 4.7756 4.7756 5.1803 5.1803 5.7239 5.7239 5.9709 5.9709 8.2010 8.2010 11.2921 11.2921 13.2833 13.2833 13.6210 13.6210 14.1711 14.1711 15.7340 15.7340 k = 0.0000 0.1700 0.3773 ( 1678 PWs) bands (ev): 3.3245 3.3245 3.5158 3.5158 4.7960 4.7960 5.1710 5.1710 5.7085 5.7085 5.9716 5.9716 8.2872 8.2872 11.3413 11.3413 13.2445 13.2445 13.6465 13.6465 14.2092 14.2092 15.6823 15.6823 k = 0.0000 0.1800 0.3773 ( 1674 PWs) bands (ev): 3.3242 3.3242 3.5241 3.5241 4.8180 4.8180 5.1624 5.1624 5.6937 5.6937 5.9738 5.9738 8.3767 8.3767 11.3914 11.3914 13.1979 13.1979 13.6788 13.6788 14.2489 14.2489 15.6297 15.6297 k = 0.0000 0.1900 0.3773 ( 1678 PWs) bands (ev): 3.3237 3.3237 3.5307 3.5307 4.8410 4.8410 5.1547 5.1547 5.6799 5.6799 5.9778 5.9778 8.4692 8.4692 11.4422 11.4422 13.1450 13.1450 13.7164 13.7164 14.2901 14.2901 15.5763 15.5763 k = 0.0000 0.2000 0.3773 ( 1678 PWs) bands (ev): 3.3232 3.3232 3.5355 3.5355 4.8642 4.8642 5.1482 5.1482 5.6671 5.6671 5.9840 5.9840 8.5645 8.5645 11.4932 11.4932 13.0871 13.0871 13.7582 13.7582 14.3327 14.3327 15.5225 15.5225 k = 0.0000 0.2100 0.3773 ( 1678 PWs) bands (ev): 3.3226 3.3226 3.5384 3.5384 4.8866 4.8866 5.1436 5.1436 5.6558 5.6558 5.9930 5.9930 8.6625 8.6625 11.5442 11.5442 13.0246 13.0246 13.8034 13.8034 14.3763 14.3763 15.4685 15.4685 k = 0.0000 0.2200 0.3773 ( 1678 PWs) bands (ev): 3.3218 3.3218 3.5395 3.5395 4.9071 4.9071 5.1412 5.1412 5.6460 5.6460 6.0053 6.0053 8.7629 8.7629 11.5948 11.5948 12.9582 12.9582 13.8515 13.8515 14.4209 14.4209 15.4144 15.4144 k = 0.0000 0.2300 0.3773 ( 1678 PWs) bands (ev): 3.3210 3.3210 3.5389 3.5389 4.9242 4.9242 5.1415 5.1415 5.6380 5.6380 6.0217 6.0217 8.8656 8.8656 11.6445 11.6445 12.8881 12.8881 13.9023 13.9023 14.4662 14.4662 15.3606 15.3606 k = 0.0000 0.2400 0.3773 ( 1680 PWs) bands (ev): 3.3201 3.3201 3.5366 3.5366 4.9369 4.9369 5.1448 5.1448 5.6318 5.6318 6.0430 6.0430 8.9703 8.9703 11.6930 11.6930 12.8146 12.8146 13.9553 13.9553 14.5121 14.5121 15.3072 15.3072 k = 0.0000 0.2500 0.3773 ( 1676 PWs) bands (ev): 3.3191 3.3191 3.5328 3.5328 4.9450 4.9450 5.1504 5.1504 5.6276 5.6276 6.0699 6.0699 9.0767 9.0767 11.7397 11.7397 12.7379 12.7379 14.0102 14.0102 14.5584 14.5584 15.2544 15.2544 k = 0.0000 0.2600 0.3773 ( 1678 PWs) bands (ev): 3.3179 3.3179 3.5277 3.5277 4.9486 4.9486 5.1575 5.1575 5.6252 5.6252 6.1033 6.1033 9.1848 9.1848 11.7841 11.7841 12.6584 12.6584 14.0668 14.0668 14.6049 14.6049 15.2025 15.2025 k = 0.0000 0.2700 0.3773 ( 1678 PWs) bands (ev): 3.3167 3.3167 3.5214 3.5214 4.9485 4.9485 5.1646 5.1646 5.6243 5.6243 6.1437 6.1437 9.2943 9.2943 11.8256 11.8256 12.5763 12.5763 14.1248 14.1248 14.6514 14.6514 15.1515 15.1515 k = 0.0000 0.2800 0.3773 ( 1678 PWs) bands (ev): 3.3154 3.3154 3.5142 3.5142 4.9456 4.9456 5.1707 5.1707 5.6246 5.6246 6.1915 6.1915 9.4049 9.4049 11.8633 11.8633 12.4925 12.4925 14.1839 14.1839 14.6977 14.6977 15.1017 15.1017 k = 0.0000 0.2900 0.3773 ( 1670 PWs) bands (ev): 3.3139 3.3139 3.5061 3.5061 4.9407 4.9407 5.1751 5.1751 5.6257 5.6257 6.2469 6.2469 9.5164 9.5164 11.8959 11.8959 12.4079 12.4079 14.2436 14.2436 14.7437 14.7437 15.0532 15.0532 k = 0.0000 0.3000 0.3773 ( 1670 PWs) bands (ev): 3.3124 3.3124 3.4974 3.4974 4.9345 4.9345 5.1775 5.1775 5.6273 5.6273 6.3097 6.3097 9.6286 9.6286 11.9210 11.9210 12.3247 12.3247 14.3038 14.3038 14.7891 14.7891 15.0061 15.0061 k = 0.0000 0.3100 0.3773 ( 1662 PWs) bands (ev): 3.3108 3.3108 3.4883 3.4883 4.9274 4.9274 5.1779 5.1779 5.6289 5.6289 6.3794 6.3794 9.7411 9.7411 11.9339 11.9339 12.2476 12.2476 14.3639 14.3639 14.8338 14.8338 14.9608 14.9608 k = 0.0000 0.3200 0.3773 ( 1664 PWs) bands (ev): 3.3090 3.3090 3.4788 3.4788 4.9197 4.9197 5.1764 5.1764 5.6305 5.6305 6.4556 6.4556 9.8538 9.8538 11.9251 11.9251 12.1860 12.1860 14.4236 14.4236 14.8768 14.8768 14.9178 14.9178 k = 0.0000 0.3300 0.3773 ( 1676 PWs) bands (ev): 3.3071 3.3071 3.4692 3.4692 4.9118 4.9118 5.1735 5.1735 5.6318 5.6318 6.5374 6.5374 9.9663 9.9663 11.8842 11.8842 12.1504 12.1504 14.4825 14.4825 14.8735 14.8735 14.9219 14.9219 k = 0.0000 0.3400 0.3773 ( 1676 PWs) bands (ev): 3.3052 3.3052 3.4596 3.4596 4.9037 4.9037 5.1695 5.1695 5.6329 5.6329 6.6241 6.6241 10.0782 10.0782 11.8139 11.8139 12.1381 12.1381 14.5401 14.5401 14.8340 14.8340 14.9629 14.9629 k = 0.0000 0.3500 0.3773 ( 1668 PWs) bands (ev): 3.3032 3.3032 3.4502 3.4502 4.8957 4.8957 5.1646 5.1646 5.6336 5.6336 6.7149 6.7149 10.1892 10.1892 11.7266 11.7266 12.1370 12.1370 14.5959 14.5959 14.7962 14.7962 15.0029 15.0029 k = 0.0000 0.3600 0.3773 ( 1664 PWs) bands (ev): 3.3010 3.3010 3.4411 3.4411 4.8879 4.8879 5.1592 5.1592 5.6340 5.6340 6.8088 6.8088 10.2989 10.2989 11.6311 11.6311 12.1387 12.1387 14.6494 14.6494 14.7606 14.7606 15.0414 15.0414 k = 0.0000 0.3700 0.3773 ( 1660 PWs) bands (ev): 3.2988 3.2988 3.4323 3.4323 4.8803 4.8803 5.1534 5.1534 5.6342 5.6342 6.9052 6.9052 10.4065 10.4065 11.5322 11.5322 12.1392 12.1392 14.6977 14.6977 14.7298 14.7298 15.0782 15.0782 k = 0.0000 0.3800 0.3773 ( 1660 PWs) bands (ev): 3.2966 3.2966 3.4239 3.4239 4.8730 4.8730 5.1475 5.1475 5.6342 5.6342 7.0030 7.0030 10.5111 10.5111 11.4327 11.4327 12.1365 12.1365 14.6919 14.6919 14.7525 14.7525 15.1131 15.1131 k = 0.0000 0.3900 0.3773 ( 1660 PWs) bands (ev): 3.2943 3.2943 3.4161 3.4161 4.8660 4.8660 5.1416 5.1416 5.6340 5.6340 7.1013 7.1013 10.6111 10.6111 11.3357 11.3357 12.1297 12.1297 14.6637 14.6637 14.7968 14.7968 15.1458 15.1458 k = 0.0000 0.4000 0.3773 ( 1668 PWs) bands (ev): 3.2920 3.2920 3.4089 3.4089 4.8596 4.8596 5.1359 5.1359 5.6337 5.6337 7.1990 7.1990 10.7031 10.7031 11.2456 11.2456 12.1182 12.1182 14.6369 14.6369 14.8385 14.8385 15.1763 15.1763 k = 0.0000 0.4100 0.3773 ( 1662 PWs) bands (ev): 3.2897 3.2897 3.4023 3.4023 4.8536 4.8536 5.1305 5.1305 5.6334 5.6334 7.2951 7.2951 10.7787 10.7787 11.1716 11.1716 12.1018 12.1018 14.6125 14.6125 14.8766 14.8766 15.2045 15.2045 k = 0.0000 0.4200 0.3773 ( 1662 PWs) bands (ev): 3.2875 3.2875 3.3965 3.3965 4.8481 4.8481 5.1254 5.1254 5.6329 5.6329 7.3882 7.3882 10.8181 10.8181 11.1347 11.1347 12.0801 12.0801 14.5904 14.5904 14.9110 14.9110 15.2300 15.2300 k = 0.0000 0.4300 0.3773 ( 1658 PWs) bands (ev): 3.2854 3.2854 3.3913 3.3913 4.8432 4.8432 5.1208 5.1208 5.6325 5.6325 7.4769 7.4769 10.8027 10.8027 11.1545 11.1545 12.0531 12.0531 14.5708 14.5708 14.9414 14.9414 15.2529 15.2529 k = 0.0000 0.4400 0.3773 ( 1654 PWs) bands (ev): 3.2834 3.2834 3.3868 3.3868 4.8389 4.8389 5.1167 5.1167 5.6321 5.6321 7.5595 7.5595 10.7507 10.7507 11.2139 11.2139 12.0210 12.0210 14.5538 14.5538 14.9677 14.9677 15.2731 15.2731 k = 0.0000 0.4500 0.3773 ( 1652 PWs) bands (ev): 3.2816 3.2816 3.3831 3.3831 4.8352 4.8352 5.1132 5.1132 5.6317 5.6317 7.6343 7.6343 10.6886 10.6886 11.2877 11.2877 11.9839 11.9839 14.5393 14.5393 14.9900 14.9900 15.2903 15.2903 k = 0.0000 0.4600 0.3773 ( 1652 PWs) bands (ev): 3.2801 3.2801 3.3800 3.3800 4.8321 4.8321 5.1103 5.1103 5.6313 5.6313 7.6994 7.6994 10.6292 10.6292 11.3644 11.3644 11.9424 11.9424 14.5274 14.5274 15.0082 15.0082 15.3045 15.3045 k = 0.0000 0.4700 0.3773 ( 1652 PWs) bands (ev): 3.2789 3.2789 3.3777 3.3777 4.8297 4.8297 5.1079 5.1079 5.6310 5.6310 7.7528 7.7528 10.5784 10.5784 11.4386 11.4386 11.8975 11.8975 14.5181 14.5181 15.0223 15.0223 15.3156 15.3156 k = 0.0000 0.4800 0.3773 ( 1656 PWs) bands (ev): 3.2780 3.2780 3.3760 3.3760 4.8280 4.8280 5.1063 5.1063 5.6308 5.6308 7.7925 7.7925 10.5398 10.5398 11.5060 11.5060 11.8519 11.8519 14.5115 14.5115 15.0324 15.0324 15.3236 15.3236 k = 0.0000 0.4900 0.3773 ( 1656 PWs) bands (ev): 3.2774 3.2774 3.3750 3.3750 4.8270 4.8270 5.1053 5.1053 5.6307 5.6307 7.8171 7.8171 10.5157 10.5157 11.5591 11.5591 11.8123 11.8123 14.5075 14.5075 15.0384 15.0384 15.3284 15.3284 k = 0.0000 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2772 3.2772 3.3747 3.3747 4.8266 4.8266 5.1049 5.1049 5.6307 5.6307 7.8254 7.8254 10.5075 10.5075 11.5813 11.5813 11.7945 11.7945 14.5062 14.5062 15.0404 15.0404 15.3300 15.3300 k = 0.0000 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2772 3.2772 3.3747 3.3747 4.8266 4.8266 5.1049 5.1049 5.6307 5.6307 7.8254 7.8254 10.5075 10.5075 11.5813 11.5813 11.7945 11.7945 14.5062 14.5062 15.0404 15.0404 15.3300 15.3300 k = 0.0100 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2780 3.2780 3.3750 3.3750 4.8270 4.8270 5.1047 5.1047 5.6304 5.6304 7.8259 7.8259 10.5070 10.5070 11.5846 11.5846 11.7897 11.7897 14.5119 14.5119 15.0404 15.0404 15.3308 15.3308 k = 0.0200 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2803 3.2803 3.3760 3.3760 4.8282 4.8282 5.1042 5.1042 5.6295 5.6295 7.8275 7.8275 10.5056 10.5056 11.5944 11.5944 11.7757 11.7757 14.5289 14.5289 15.0403 15.0403 15.3332 15.3332 k = 0.0300 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2842 3.2842 3.3776 3.3776 4.8302 4.8302 5.1032 5.1032 5.6282 5.6282 7.8301 7.8301 10.5033 10.5033 11.6107 11.6107 11.7526 11.7526 14.5568 14.5568 15.0401 15.0401 15.3372 15.3372 k = 0.0400 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2895 3.2895 3.3799 3.3799 4.8331 4.8331 5.1019 5.1019 5.6263 5.6263 7.8338 7.8338 10.4999 10.4999 11.6335 11.6335 11.7213 11.7213 14.5952 14.5952 15.0400 15.0400 15.3429 15.3429 k = 0.0500 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2961 3.2961 3.3829 3.3829 4.8369 4.8369 5.1002 5.1002 5.6239 5.6239 7.8385 7.8385 10.4955 10.4955 11.6620 11.6620 11.6831 11.6831 14.6431 14.6431 15.0397 15.0397 15.3506 15.3506 k = 0.0600 0.5000 0.3773 ( 1652 PWs) bands (ev): 3.3038 3.3038 3.3866 3.3866 4.8417 4.8417 5.0981 5.0981 5.6212 5.6212 7.8444 7.8444 10.4900 10.4900 11.6357 11.6357 11.6994 11.6994 14.6999 14.6999 15.0394 15.0394 15.3602 15.3602 k = 0.0700 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.3125 3.3125 3.3911 3.3911 4.8476 4.8476 5.0957 5.0957 5.6180 5.6180 7.8513 7.8513 10.4832 10.4832 11.5841 11.5841 11.7415 11.7415 14.7646 14.7646 15.0391 15.0391 15.3722 15.3722 k = 0.0800 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.3220 3.3220 3.3964 3.3964 4.8548 4.8548 5.0930 5.0930 5.6146 5.6146 7.8595 7.8595 10.4750 10.4750 11.5273 11.5273 11.7902 11.7902 14.8364 14.8364 15.0388 15.0388 15.3865 15.3865 k = 0.0900 0.5000 0.3773 ( 1668 PWs) bands (ev): 3.3319 3.3319 3.4025 3.4025 4.8632 4.8632 5.0899 5.0899 5.6110 5.6110 7.8687 7.8687 10.4654 10.4654 11.4664 11.4664 11.8453 11.8453 14.9143 14.9143 15.0386 15.0386 15.4036 15.4036 k = 0.1000 0.5000 0.3773 ( 1668 PWs) bands (ev): 3.3420 3.3420 3.4095 3.4095 4.8732 4.8732 5.0865 5.0865 5.6073 5.6073 7.8792 7.8792 10.4543 10.4543 11.4021 11.4021 11.9067 11.9067 14.9959 14.9959 15.0400 15.0400 15.4238 15.4238 k = 0.1100 0.5000 0.3773 ( 1664 PWs) bands (ev): 3.3520 3.3520 3.4175 3.4175 4.8847 4.8847 5.0828 5.0828 5.6035 5.6035 7.8910 7.8910 10.4414 10.4414 11.3352 11.3352 11.9745 11.9745 15.0337 15.0337 15.0900 15.0900 15.4473 15.4473 k = 0.1200 0.5000 0.3773 ( 1664 PWs) bands (ev): 3.3616 3.3616 3.4265 3.4265 4.8980 4.8980 5.0788 5.0788 5.5998 5.5998 7.9040 7.9040 10.4267 10.4267 11.2664 11.2664 12.0484 12.0484 15.0344 15.0344 15.1809 15.1809 15.4747 15.4747 k = 0.1300 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.3708 3.3708 3.4362 3.4362 4.9132 4.9132 5.0747 5.0747 5.5962 5.5962 7.9184 7.9184 10.4101 10.4101 11.1963 11.1963 12.1285 12.1285 15.0339 15.0339 15.2757 15.2757 15.5066 15.5066 k = 0.1400 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.3795 3.3795 3.4466 3.4466 4.9302 4.9302 5.0706 5.0706 5.5928 5.5928 7.9342 7.9342 10.3914 10.3914 11.1256 11.1256 12.2147 12.2147 15.0331 15.0331 15.3718 15.3719 15.5446 15.5446 k = 0.1500 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.3875 3.3875 3.4572 3.4572 4.9489 4.9489 5.0667 5.0667 5.5897 5.5897 7.9515 7.9515 10.3704 10.3704 11.0548 11.0548 12.3068 12.3068 15.0323 15.0323 15.4653 15.4653 15.5920 15.5920 k = 0.1600 0.5000 0.3773 ( 1660 PWs) bands (ev): 3.3951 3.3951 3.4679 3.4679 4.9688 4.9688 5.0638 5.0638 5.5870 5.5870 7.9703 7.9703 10.3470 10.3470 10.9845 10.9845 12.4047 12.4047 15.0314 15.0314 15.5483 15.5483 15.6565 15.6565 k = 0.1700 0.5000 0.3773 ( 1660 PWs) bands (ev): 3.4023 3.4023 3.4783 3.4783 4.9883 4.9883 5.0636 5.0636 5.5848 5.5848 7.9907 7.9907 10.3212 10.3212 10.9152 10.9152 12.5083 12.5083 15.0307 15.0307 15.6152 15.6152 15.7429 15.7429 k = 0.1800 0.5000 0.3773 ( 1664 PWs) bands (ev): 3.4090 3.4090 3.4881 3.4881 5.0038 5.0038 5.0698 5.0698 5.5831 5.5831 8.0128 8.0128 10.2927 10.2927 10.8473 10.8473 12.6174 12.6174 15.0301 15.0301 15.6730 15.6730 15.8435 15.8436 k = 0.1900 0.5000 0.3773 ( 1660 PWs) bands (ev): 3.4154 3.4154 3.4972 3.4972 5.0108 5.0108 5.0870 5.0870 5.5819 5.5819 8.0367 8.0367 10.2615 10.2615 10.7813 10.7813 12.7318 12.7318 15.0298 15.0298 15.7285 15.7285 15.9496 15.9496 k = 0.2000 0.5000 0.3773 ( 1652 PWs) bands (ev): 3.4214 3.4214 3.5053 3.5053 5.0105 5.0105 5.1139 5.1139 5.5813 5.5813 8.0624 8.0624 10.2275 10.2275 10.7177 10.7177 12.8514 12.8514 15.0300 15.0300 15.7829 15.7829 16.0491 16.0491 k = 0.2100 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.4271 3.4271 3.5123 3.5123 5.0063 5.0063 5.1470 5.1470 5.5814 5.5814 8.0902 8.0902 10.1906 10.1906 10.6566 10.6566 12.9757 12.9757 15.0306 15.0306 15.8299 15.8299 16.0532 16.0532 k = 0.2200 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.4324 3.4324 3.5181 3.5181 5.0004 5.0004 5.1844 5.1844 5.5822 5.5822 8.1200 8.1200 10.1510 10.1510 10.5985 10.5985 13.1046 13.1046 15.0320 15.0320 15.8333 15.8333 16.0080 16.0080 k = 0.2300 0.5000 0.3773 ( 1652 PWs) bands (ev): 3.4374 3.4374 3.5227 3.5227 4.9934 4.9934 5.2249 5.2249 5.5837 5.5837 8.1520 8.1520 10.1088 10.1088 10.5435 10.5435 13.2375 13.2375 15.0345 15.0345 15.7518 15.7518 16.0376 16.0376 k = 0.2400 0.5000 0.3773 ( 1652 PWs) bands (ev): 3.4419 3.4419 3.5262 3.5262 4.9859 4.9859 5.2681 5.2681 5.5859 5.5859 8.1864 8.1864 10.0644 10.0644 10.4915 10.4915 13.3739 13.3739 15.0381 15.0381 15.6335 15.6335 16.1016 16.1016 k = 0.2500 0.5000 0.3773 ( 1648 PWs) bands (ev): 3.4460 3.4460 3.5286 3.5286 4.9780 4.9780 5.3132 5.3132 5.5890 5.5890 8.2231 8.2231 10.0180 10.0180 10.4426 10.4426 13.5132 13.5132 15.0434 15.0434 15.5032 15.5032 16.1770 16.1770 k = 0.2600 0.5000 0.3773 ( 1652 PWs) bands (ev): 3.4495 3.4495 3.5300 3.5300 4.9699 4.9699 5.3598 5.3598 5.5932 5.5932 8.2625 8.2625 9.9703 9.9703 10.3965 10.3965 13.6544 13.6544 15.0500 15.0500 15.3671 15.3671 16.2589 16.2589 k = 0.2700 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.4525 3.4525 3.5306 3.5306 4.9617 4.9617 5.4070 5.4070 5.5988 5.5988 8.3044 8.3044 9.9218 9.9218 10.3530 10.3530 13.7962 13.7962 15.0552 15.0552 15.2310 15.2310 16.3461 16.3461 k = 0.2800 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.4549 3.4549 3.5304 3.5304 4.9534 4.9534 5.4537 5.4537 5.6066 5.6066 8.3492 8.3492 9.8729 9.8729 10.3119 10.3119 13.9368 13.9368 15.0241 15.0241 15.1322 15.1322 16.4378 16.4378 k = 0.2900 0.5000 0.3773 ( 1660 PWs) bands (ev): 3.4565 3.4565 3.5297 3.5297 4.9452 4.9452 5.4976 5.4976 5.6185 5.6185 8.3967 8.3967 9.8243 9.8243 10.2731 10.2731 14.0738 14.0738 14.8995 14.8995 15.1311 15.1311 16.5339 16.5339 k = 0.3000 0.5000 0.3773 ( 1660 PWs) bands (ev): 3.4574 3.4574 3.5287 3.5287 4.9372 4.9372 5.5347 5.5347 5.6379 5.6379 8.4472 8.4472 9.7765 9.7765 10.2363 10.2363 14.2037 14.2037 14.7493 14.7493 15.1634 15.1634 16.6340 16.6340 k = 0.3100 0.5000 0.3773 ( 1668 PWs) bands (ev): 3.4574 3.4574 3.5276 3.5276 4.9293 4.9293 5.5611 5.5611 5.6682 5.6682 8.5005 8.5005 9.7299 9.7299 10.2014 10.2014 14.3221 14.3221 14.5932 14.5932 15.2141 15.2141 16.7380 16.7380 k = 0.3200 0.5000 0.3773 ( 1664 PWs) bands (ev): 3.4565 3.4565 3.5264 3.5264 4.9216 4.9216 5.5777 5.5777 5.7082 5.7082 8.5565 8.5565 9.6852 9.6852 10.1684 10.1684 14.4137 14.4137 14.4450 14.4450 15.2850 15.2850 16.8457 16.8457 k = 0.3300 0.5000 0.3773 ( 1664 PWs) bands (ev): 3.4549 3.4549 3.5254 3.5254 4.9143 4.9143 5.5887 5.5887 5.7532 5.7532 8.6152 8.6152 9.6426 9.6426 10.1372 10.1372 14.2698 14.2698 14.5116 14.5116 15.3783 15.3783 16.9570 16.9570 k = 0.3400 0.5000 0.3773 ( 1668 PWs) bands (ev): 3.4524 3.4524 3.5245 3.5245 4.9072 4.9072 5.5969 5.5969 5.7999 5.7999 8.6761 8.6761 9.6029 9.6029 10.1078 10.1078 14.1073 14.1073 14.5764 14.5764 15.4939 15.4939 17.0716 17.0716 k = 0.3500 0.5000 0.3773 ( 1668 PWs) bands (ev): 3.4492 3.4492 3.5239 3.5239 4.9004 4.9004 5.6038 5.6038 5.8466 5.8466 8.7388 8.7388 9.5666 9.5666 10.0803 10.0803 13.9439 13.9439 14.6247 14.6247 15.6290 15.6290 17.1895 17.1895 k = 0.3600 0.5000 0.3773 ( 1672 PWs) bands (ev): 3.4454 3.4454 3.5234 3.5234 4.8941 4.8941 5.6097 5.6097 5.8922 5.8922 8.8025 8.8025 9.5344 9.5344 10.0549 10.0549 13.7807 13.7807 14.6597 14.6597 15.7796 15.7796 17.3105 17.3105 k = 0.3700 0.5000 0.3773 ( 1672 PWs) bands (ev): 3.4412 3.4412 3.5232 3.5232 4.8881 4.8881 5.6151 5.6151 5.9362 5.9362 8.8658 8.8658 9.5075 9.5075 10.0316 10.0316 13.6185 13.6185 14.6849 14.6849 15.9416 15.9416 17.4343 17.4343 k = 0.3800 0.5000 0.3773 ( 1672 PWs) bands (ev): 3.4368 3.4368 3.5230 3.5230 4.8825 4.8825 5.6201 5.6201 5.9781 5.9781 8.9269 8.9269 9.4873 9.4873 10.0106 10.0106 13.4580 13.4580 14.7030 14.7030 16.1119 16.1119 17.5609 17.5609 k = 0.3900 0.5000 0.3773 ( 1676 PWs) bands (ev): 3.4323 3.4323 3.5230 3.5230 4.8774 4.8774 5.6247 5.6247 6.0174 6.0174 8.9833 8.9833 9.4759 9.4759 9.9923 9.9923 13.3002 13.3002 14.7162 14.7162 16.2876 16.2876 17.6899 17.6899 k = 0.4000 0.5000 0.3773 ( 1680 PWs) bands (ev): 3.4277 3.4277 3.5230 3.5230 4.8727 4.8727 5.6289 5.6289 6.0540 6.0540 9.0316 9.0316 9.4757 9.4757 9.9770 9.9770 13.1461 13.1461 14.7258 14.7258 16.4666 16.4666 17.8212 17.8212 k = 0.4100 0.5000 0.3773 ( 1680 PWs) bands (ev): 3.4233 3.4233 3.5230 3.5230 4.8684 4.8684 5.6328 5.6328 6.0876 6.0876 9.0688 9.0688 9.4885 9.4885 9.9653 9.9653 12.9968 12.9968 14.7328 14.7328 16.6470 16.6470 17.9544 17.9544 k = 0.4200 0.5000 0.3773 ( 1688 PWs) bands (ev): 3.4190 3.4190 3.5230 3.5230 4.8645 4.8645 5.6363 5.6363 6.1180 6.1180 9.0934 9.0934 9.5141 9.5141 9.9580 9.9580 12.8538 12.8538 14.7379 14.7379 16.8270 16.8270 18.0893 18.0893 k = 0.4300 0.5000 0.3773 ( 1688 PWs) bands (ev): 3.4151 3.4151 3.5231 3.5231 4.8612 4.8612 5.6394 5.6394 6.1451 6.1451 9.1067 9.1067 9.5488 9.5488 9.9559 9.9559 12.7185 12.7185 14.7416 14.7416 17.0048 17.0048 18.2255 18.2255 k = 0.4400 0.5000 0.3773 ( 1692 PWs) bands (ev): 3.4116 3.4116 3.5231 3.5231 4.8583 4.8583 5.6422 5.6422 6.1687 6.1687 9.1120 9.1120 9.5869 9.5869 9.9600 9.9600 12.5930 12.5930 14.7443 14.7443 17.1782 17.1782 18.3625 18.3625 k = 0.4500 0.5000 0.3773 ( 1696 PWs) bands (ev): 3.4085 3.4085 3.5232 3.5232 4.8558 4.8558 5.6446 5.6446 6.1888 6.1888 9.1125 9.1125 9.6228 9.6228 9.9710 9.9710 12.4794 12.4794 14.7463 14.7463 17.3446 17.3446 18.4994 18.4994 k = 0.4600 0.5000 0.3773 ( 1700 PWs) bands (ev): 3.4060 3.4060 3.5232 3.5232 4.8538 4.8538 5.6465 5.6465 6.2054 6.2054 9.1104 9.1104 9.6521 9.6521 9.9882 9.9882 12.3805 12.3805 14.7477 14.7477 17.5001 17.5001 18.6350 18.6350 k = 0.4700 0.5000 0.3773 ( 1704 PWs) bands (ev): 3.4039 3.4039 3.5232 3.5232 4.8522 4.8522 5.6481 5.6481 6.2183 6.2183 9.1076 9.1076 9.6734 9.6734 10.0086 10.0086 12.2990 12.2990 14.7486 14.7486 17.6394 17.6394 18.7645 18.7645 k = 0.4800 0.5000 0.3773 ( 1708 PWs) bands (ev): 3.4024 3.4024 3.5232 3.5232 4.8511 4.8511 5.6492 5.6492 6.2275 6.2275 9.1050 9.1050 9.6872 9.6872 10.0281 10.0281 12.2379 12.2379 14.7493 14.7493 17.7539 17.7539 18.8224 18.8224 k = 0.4900 0.5000 0.3773 ( 1712 PWs) bands (ev): 3.4015 3.4015 3.5232 3.5232 4.8504 4.8504 5.6498 5.6498 6.2330 6.2330 9.1032 9.1032 9.6946 9.6946 10.0420 10.0420 12.2000 12.2000 14.7496 14.7496 17.8319 17.8319 18.8161 18.8161 k = 0.5000 0.5000 0.3773 ( 1712 PWs) bands (ev): 3.4012 3.4012 3.5232 3.5232 4.8502 4.8502 5.6500 5.6500 6.2349 6.2349 9.1026 9.1026 9.6970 9.6970 10.0470 10.0470 12.1871 12.1871 14.7497 14.7497 17.8599 17.8599 18.8087 18.8087 k = 0.5000 0.5000 0.3773 ( 1712 PWs) bands (ev): 3.4012 3.4012 3.5232 3.5232 4.8502 4.8502 5.6500 5.6500 6.2349 6.2349 9.1026 9.1026 9.6970 9.6970 10.0470 10.0470 12.1871 12.1871 14.7497 14.7497 17.8599 17.8599 18.8087 18.8087 k = 0.4930 0.4930 0.3773 ( 1712 PWs) bands (ev): 3.4015 3.4015 3.5232 3.5232 4.8504 4.8504 5.6498 5.6498 6.2331 6.2331 9.1032 9.1032 9.6946 9.6946 10.0421 10.0421 12.1999 12.1999 14.7496 14.7496 17.8322 17.8322 18.8142 18.8142 k = 0.4859 0.4859 0.3773 ( 1708 PWs) bands (ev): 3.4024 3.4024 3.5232 3.5232 4.8510 4.8510 5.6492 5.6492 6.2276 6.2276 9.1049 9.1049 9.6865 9.6865 10.0291 10.0291 12.2375 12.2375 14.7493 14.7493 17.7568 17.7568 18.8009 18.8009 k = 0.4789 0.4789 0.3773 ( 1704 PWs) bands (ev): 3.4039 3.4039 3.5232 3.5232 4.8522 4.8522 5.6481 5.6481 6.2185 6.2185 9.1070 9.1070 9.6701 9.6701 10.0131 10.0131 12.2979 12.2979 14.7487 14.7487 17.6489 17.6489 18.7382 18.7382 k = 0.4718 0.4718 0.3773 ( 1698 PWs) bands (ev): 3.4060 3.4060 3.5232 3.5232 4.8538 4.8538 5.6465 5.6465 6.2060 6.2060 9.1085 9.1085 9.6424 9.6424 10.0007 10.0007 12.3785 12.3785 14.7478 14.7478 17.5212 17.5212 18.6270 18.6270 k = 0.4648 0.4648 0.3773 ( 1690 PWs) bands (ev): 3.4086 3.4086 3.5232 3.5232 4.8558 4.8558 5.6446 5.6446 6.1902 6.1902 9.1072 9.1072 9.6029 9.6029 9.9974 9.9974 12.4762 12.4762 14.7466 14.7466 17.3817 17.3817 18.4965 18.4965 k = 0.4577 0.4577 0.3773 ( 1684 PWs) bands (ev): 3.4118 3.4118 3.5232 3.5232 4.8584 4.8584 5.6422 5.6422 6.1712 6.1712 9.0997 9.0997 9.5554 9.5554 10.0052 10.0052 12.5883 12.5883 14.7449 14.7449 17.2354 17.2354 18.3612 18.3612 k = 0.4507 0.4507 0.3773 ( 1680 PWs) bands (ev): 3.4155 3.4155 3.5232 3.5232 4.8614 4.8614 5.6395 5.6395 6.1493 6.1493 9.0805 9.0805 9.5083 9.5083 10.0234 10.0234 12.7124 12.7124 14.7427 14.7427 17.0848 17.0848 18.2236 18.2236 k = 0.4437 0.4437 0.3773 ( 1672 PWs) bands (ev): 3.4197 3.4197 3.5233 3.5233 4.8650 4.8650 5.6363 5.6363 6.1248 6.1248 9.0434 9.0434 9.4711 9.4711 10.0505 10.0505 12.8463 12.8463 14.7399 14.7399 16.9317 16.9317 18.0830 18.0830 k = 0.4366 0.4366 0.3773 ( 1676 PWs) bands (ev): 3.4243 3.4243 3.5233 3.5233 4.8691 4.8691 5.6327 5.6327 6.0978 6.0978 8.9847 8.9847 9.4503 9.4503 10.0849 10.0849 12.9883 12.9883 14.7364 14.7364 16.7773 16.7773 17.9373 17.9373 k = 0.4296 0.4296 0.3773 ( 1676 PWs) bands (ev): 3.4294 3.4294 3.5234 3.5234 4.8737 4.8737 5.6288 5.6288 6.0686 6.0686 8.9060 8.9060 9.4464 9.4464 10.1254 10.1254 13.1372 13.1372 14.7320 14.7320 16.6222 16.6222 17.7843 17.7843 k = 0.4225 0.4225 0.3773 ( 1672 PWs) bands (ev): 3.4348 3.4348 3.5235 3.5235 4.8790 4.8790 5.6245 5.6245 6.0375 6.0375 8.8125 8.8125 9.4556 9.4556 10.1712 10.1712 13.2919 13.2919 14.7265 14.7265 16.4670 16.4670 17.6242 17.6242 k = 0.4155 0.4155 0.3773 ( 1664 PWs) bands (ev): 3.4406 3.4406 3.5236 3.5236 4.8848 4.8848 5.6198 5.6198 6.0049 6.0049 8.7091 8.7091 9.4741 9.4741 10.2216 10.2216 13.4515 13.4515 14.7198 14.7198 16.3120 16.3120 17.4589 17.4589 k = 0.4085 0.4085 0.3773 ( 1664 PWs) bands (ev): 3.4467 3.4467 3.5238 3.5238 4.8913 4.8913 5.6148 5.6148 5.9708 5.9708 8.5993 8.5993 9.4992 9.4992 10.2760 10.2760 13.6153 13.6153 14.7116 14.7116 16.1575 16.1575 17.2908 17.2908 k = 0.4014 0.4014 0.3773 ( 1664 PWs) bands (ev): 3.4530 3.4530 3.5241 3.5241 4.8985 4.8985 5.6093 5.6093 5.9357 5.9357 8.4855 8.4855 9.5288 9.5288 10.3341 10.3341 13.7827 13.7827 14.7018 14.7018 16.0038 16.0038 17.1221 17.1221 k = 0.3944 0.3944 0.3773 ( 1668 PWs) bands (ev): 3.4596 3.4596 3.5244 3.5244 4.9063 4.9063 5.6034 5.6034 5.8999 5.8999 8.3694 8.3694 9.5616 9.5616 10.3955 10.3955 13.9532 13.9532 14.6902 14.6902 15.8510 15.8510 16.9543 16.9543 k = 0.3873 0.3873 0.3773 ( 1672 PWs) bands (ev): 3.4662 3.4662 3.5248 3.5248 4.9149 4.9149 5.5971 5.5971 5.8635 5.8635 8.2519 8.2519 9.5967 9.5967 10.4598 10.4598 14.1263 14.1263 14.6766 14.6766 15.6993 15.6993 16.7887 16.7887 k = 0.3803 0.3803 0.3773 ( 1668 PWs) bands (ev): 3.4730 3.4730 3.5253 3.5253 4.9241 4.9241 5.5902 5.5902 5.8270 5.8270 8.1340 8.1340 9.6333 9.6333 10.5268 10.5268 14.3013 14.3013 14.6609 14.6609 15.5489 15.5489 16.6265 16.6265 k = 0.3732 0.3732 0.3773 ( 1668 PWs) bands (ev): 3.4797 3.4797 3.5259 3.5259 4.9341 4.9341 5.5825 5.5825 5.7907 5.7908 8.0163 8.0163 9.6708 9.6708 10.5961 10.5961 14.4760 14.4760 14.6447 14.6447 15.3999 15.3999 16.4688 16.4688 k = 0.3662 0.3662 0.3773 ( 1668 PWs) bands (ev): 3.4864 3.4864 3.5266 3.5266 4.9448 4.9448 5.5740 5.5740 5.7551 5.7551 7.8991 7.8991 9.7084 9.7084 10.6676 10.6676 14.6004 14.6004 14.6773 14.6773 15.2525 15.2525 16.3167 16.3167 k = 0.3592 0.3592 0.3773 ( 1668 PWs) bands (ev): 3.4930 3.4930 3.5274 3.5274 4.9563 4.9563 5.5642 5.5642 5.7206 5.7206 7.7829 7.7829 9.7457 9.7457 10.7410 10.7410 14.5864 14.5864 14.8454 14.8454 15.1075 15.1075 16.1711 16.1711 k = 0.3521 0.3521 0.3773 ( 1668 PWs) bands (ev): 3.4994 3.4994 3.5284 3.5284 4.9686 4.9686 5.5525 5.5525 5.6880 5.6880 7.6680 7.6680 9.7819 9.7819 10.8161 10.8161 14.5582 14.5582 14.9537 14.9537 15.0352 15.0352 16.0330 16.0330 k = 0.3451 0.3451 0.3773 ( 1672 PWs) bands (ev): 3.5055 3.5055 3.5295 3.5295 4.9816 4.9816 5.5382 5.5382 5.6583 5.6583 7.5548 7.5548 9.8164 9.8164 10.8927 10.8927 14.5249 14.5249 14.8171 14.8171 15.2111 15.2112 15.9032 15.9032 k = 0.3380 0.3380 0.3773 ( 1672 PWs) bands (ev): 3.5112 3.5112 3.5308 3.5308 4.9954 4.9954 5.5205 5.5205 5.6323 5.6323 7.4434 7.4434 9.8485 9.8485 10.9707 10.9707 14.4865 14.4865 14.6778 14.6778 15.3916 15.3916 15.7827 15.7827 k = 0.3310 0.3310 0.3773 ( 1670 PWs) bands (ev): 3.5164 3.5164 3.5324 3.5324 5.0099 5.0099 5.4990 5.4990 5.6105 5.6105 7.3341 7.3341 9.8776 9.8776 11.0497 11.0497 14.4412 14.4412 14.5431 14.5431 15.5673 15.5673 15.6737 15.6737 k = 0.3239 0.3239 0.3773 ( 1666 PWs) bands (ev): 3.5209 3.5209 3.5343 3.5343 5.0251 5.0251 5.4741 5.4741 5.5927 5.5927 7.2271 7.2271 9.9030 9.9030 11.1298 11.1298 14.3706 14.3706 14.4321 14.4321 15.5671 15.5671 15.7397 15.7397 k = 0.3169 0.3169 0.3773 ( 1666 PWs) bands (ev): 3.5248 3.5248 3.5366 3.5366 5.0411 5.0411 5.4469 5.4469 5.5778 5.5778 7.1228 7.1228 9.9239 9.9239 11.2106 11.2106 14.2508 14.2508 14.3695 14.3695 15.4764 15.4764 15.8683 15.8683 k = 0.3099 0.3099 0.3773 ( 1666 PWs) bands (ev): 3.5280 3.5280 3.5391 3.5391 5.0577 5.0577 5.4186 5.4186 5.5647 5.5647 7.0213 7.0213 9.9396 9.9396 11.2922 11.2922 14.1201 14.1201 14.3184 14.3184 15.3942 15.3942 15.9021 15.9021 k = 0.3028 0.3028 0.3773 ( 1666 PWs) bands (ev): 3.5305 3.5305 3.5417 3.5417 5.0748 5.0748 5.3899 5.3899 5.5527 5.5527 6.9229 6.9229 9.9494 9.9494 11.3742 11.3742 13.9891 13.9891 14.2691 14.2691 15.3208 15.3208 15.8570 15.8570 k = 0.2958 0.2958 0.3773 ( 1666 PWs) bands (ev): 3.5327 3.5327 3.5442 3.5442 5.0925 5.0925 5.3616 5.3616 5.5410 5.5410 6.8278 6.8278 9.9527 9.9527 11.4567 11.4567 13.8594 13.8594 14.2215 14.2215 15.2556 15.2556 15.7871 15.7871 k = 0.2887 0.2887 0.3773 ( 1670 PWs) bands (ev): 3.5345 3.5345 3.5464 3.5464 5.1106 5.1106 5.3342 5.3342 5.5291 5.5291 6.7365 6.7365 9.9489 9.9489 11.5394 11.5394 13.7315 13.7315 14.1764 14.1764 15.1979 15.1979 15.7104 15.7104 k = 0.2817 0.2817 0.3773 ( 1668 PWs) bands (ev): 3.5360 3.5360 3.5481 3.5481 5.1287 5.1287 5.3081 5.3081 5.5169 5.5169 6.6491 6.6491 9.9377 9.9377 11.6222 11.6222 13.6056 13.6056 14.1349 14.1349 15.1469 15.1469 15.6320 15.6320 k = 0.2746 0.2746 0.3773 ( 1666 PWs) bands (ev): 3.5373 3.5373 3.5494 3.5494 5.1466 5.1466 5.2838 5.2838 5.5039 5.5039 6.5661 6.5661 9.9186 9.9186 11.7050 11.7050 13.4817 13.4817 14.0976 14.0976 15.1022 15.1022 15.5537 15.5537 k = 0.2676 0.2676 0.3773 ( 1662 PWs) bands (ev): 3.5381 3.5381 3.5503 3.5503 5.1630 5.1630 5.2624 5.2624 5.4901 5.4901 6.4877 6.4877 9.8915 9.8915 11.7878 11.7878 13.3600 13.3600 14.0650 14.0650 15.0634 15.0634 15.4763 15.4763 k = 0.2606 0.2606 0.3773 ( 1658 PWs) bands (ev): 3.5384 3.5384 3.5509 3.5509 5.1751 5.1751 5.2466 5.2466 5.4751 5.4751 6.4144 6.4144 9.8564 9.8564 11.8703 11.8703 13.2405 13.2405 14.0373 14.0373 15.0303 15.0303 15.4001 15.4001 k = 0.2535 0.2535 0.3773 ( 1658 PWs) bands (ev): 3.5380 3.5380 3.5513 3.5513 5.1769 5.1769 5.2422 5.2422 5.4591 5.4591 6.3465 6.3465 9.8136 9.8136 11.9525 11.9525 13.1232 13.1232 14.0141 14.0141 15.0028 15.0028 15.3252 15.3252 k = 0.2465 0.2465 0.3773 ( 1658 PWs) bands (ev): 3.5366 3.5366 3.5517 3.5517 5.1669 5.1669 5.2503 5.2503 5.4423 5.4423 6.2843 6.2843 9.7633 9.7633 12.0341 12.0341 13.0082 13.0082 13.9949 13.9949 14.9813 14.9813 15.2520 15.2520 k = 0.2394 0.2394 0.3773 ( 1658 PWs) bands (ev): 3.5342 3.5342 3.5520 3.5520 5.1512 5.1512 5.2636 5.2636 5.4255 5.4255 6.2280 6.2280 9.7059 9.7059 12.1152 12.1152 12.8956 12.8956 13.9789 13.9789 14.9660 14.9660 15.1804 15.1804 k = 0.2324 0.2324 0.3773 ( 1654 PWs) bands (ev): 3.5309 3.5309 3.5523 3.5523 5.1338 5.1338 5.2766 5.2766 5.4103 5.4103 6.1779 6.1779 9.6421 9.6421 12.1956 12.1956 12.7855 12.7855 13.9650 13.9650 14.9571 14.9571 15.1107 15.1107 k = 0.2254 0.2254 0.3773 ( 1658 PWs) bands (ev): 3.5267 3.5267 3.5524 3.5524 5.1159 5.1159 5.2848 5.2848 5.3999 5.3999 6.1339 6.1339 9.5724 9.5724 12.2752 12.2752 12.6778 12.6778 13.9521 13.9521 14.9543 14.9543 15.0436 15.0436 k = 0.2183 0.2183 0.3773 ( 1660 PWs) bands (ev): 3.5216 3.5216 3.5522 3.5522 5.0976 5.0976 5.2841 5.2841 5.3985 5.3985 6.0957 6.0957 9.4977 9.4977 12.3537 12.3537 12.5726 12.5726 13.9391 13.9391 14.9500 14.9500 14.9872 14.9872 k = 0.2113 0.2113 0.3773 ( 1660 PWs) bands (ev): 3.5157 3.5157 3.5517 3.5517 5.0787 5.0787 5.2742 5.2742 5.4069 5.4069 6.0632 6.0632 9.4184 9.4184 12.4312 12.4312 12.4701 12.4701 13.9251 13.9251 14.9027 14.9027 14.9832 14.9832 k = 0.2042 0.2042 0.3773 ( 1656 PWs) bands (ev): 3.5092 3.5092 3.5507 3.5507 5.0589 5.0589 5.2586 5.2586 5.4223 5.4223 6.0360 6.0360 9.3355 9.3355 12.3701 12.3701 12.5074 12.5074 13.9094 13.9094 14.8410 14.8410 15.0029 15.0029 k = 0.1972 0.1972 0.3773 ( 1660 PWs) bands (ev): 3.5021 3.5021 3.5491 3.5491 5.0377 5.0377 5.2414 5.2414 5.4413 5.4413 6.0135 6.0135 9.2495 9.2495 12.2728 12.2728 12.5822 12.5822 13.8914 13.8914 14.7795 14.7795 15.0315 15.0315 k = 0.1901 0.1901 0.3773 ( 1660 PWs) bands (ev): 3.4944 3.4944 3.5470 3.5470 5.0150 5.0150 5.2250 5.2250 5.4625 5.4625 5.9952 5.9952 9.1611 9.1611 12.1783 12.1783 12.6555 12.6555 13.8711 13.8711 14.7192 14.7192 15.0675 15.0675 k = 0.1831 0.1831 0.3773 ( 1664 PWs) bands (ev): 3.4862 3.4862 3.5441 3.5441 4.9908 4.9908 5.2108 5.2108 5.4847 5.4847 5.9806 5.9806 9.0710 9.0710 12.0865 12.0865 12.7271 12.7271 13.8486 13.8486 14.6604 14.6604 15.1099 15.1099 k = 0.1761 0.1761 0.3773 ( 1664 PWs) bands (ev): 3.4776 3.4776 3.5405 3.5405 4.9652 4.9652 5.1994 5.1994 5.5075 5.5075 5.9692 5.9692 8.9797 8.9797 11.9976 11.9976 12.7968 12.7968 13.8240 13.8240 14.6032 14.6032 15.1578 15.1578 k = 0.1690 0.1690 0.3773 ( 1664 PWs) bands (ev): 3.4686 3.4686 3.5361 3.5361 4.9388 4.9388 5.1909 5.1909 5.5306 5.5306 5.9606 5.9606 8.8877 8.8877 11.9116 11.9116 12.8644 12.8644 13.7977 13.7977 14.5477 14.5477 15.2102 15.2102 k = 0.1620 0.1620 0.3773 ( 1668 PWs) bands (ev): 3.4595 3.4595 3.5309 3.5309 4.9122 4.9122 5.1850 5.1850 5.5538 5.5538 5.9543 5.9543 8.7956 8.7956 11.8285 11.8285 12.9298 12.9298 13.7701 13.7701 14.4940 14.4940 15.2663 15.2663 k = 0.1549 0.1549 0.3773 ( 1668 PWs) bands (ev): 3.4501 3.4501 3.5249 3.5249 4.8860 4.8860 5.1817 5.1817 5.5769 5.5769 5.9501 5.9501 8.7039 8.7039 11.7484 11.7484 12.9925 12.9925 13.7419 13.7419 14.4420 14.4420 15.3252 15.3252 k = 0.1479 0.1479 0.3773 ( 1672 PWs) bands (ev): 3.4406 3.4406 3.5181 3.5181 4.8606 4.8606 5.1804 5.1804 5.5999 5.5999 5.9477 5.9477 8.6129 8.6129 11.6713 11.6713 13.0524 13.0524 13.7135 13.7135 14.3919 14.3919 15.3860 15.3860 k = 0.1408 0.1408 0.3773 ( 1672 PWs) bands (ev): 3.4311 3.4311 3.5104 3.5104 4.8365 4.8365 5.1810 5.1810 5.6226 5.6226 5.9466 5.9466 8.5230 8.5230 11.5973 11.5973 13.1090 13.1090 13.6856 13.6856 14.3436 14.3436 15.4479 15.4479 k = 0.1338 0.1338 0.3773 ( 1672 PWs) bands (ev): 3.4216 3.4216 3.5020 3.5020 4.8140 4.8140 5.1832 5.1832 5.6450 5.6450 5.9469 5.9469 8.4346 8.4346 11.5265 11.5265 13.1617 13.1617 13.6591 13.6591 14.2974 14.2974 15.5102 15.5102 k = 0.1268 0.1268 0.3773 ( 1676 PWs) bands (ev): 3.4122 3.4122 3.4929 3.4929 4.7932 4.7932 5.1868 5.1868 5.6670 5.6670 5.9482 5.9482 8.3481 8.3481 11.4589 11.4589 13.2096 13.2096 13.6350 13.6350 14.2532 14.2532 15.5723 15.5723 k = 0.1197 0.1197 0.3773 ( 1676 PWs) bands (ev): 3.4029 3.4029 3.4833 3.4833 4.7743 4.7743 5.1914 5.1914 5.6885 5.6885 5.9504 5.9504 8.2637 8.2637 11.3946 11.3946 13.2515 13.2515 13.6145 13.6145 14.2112 14.2112 15.6336 15.6336 k = 0.1127 0.1127 0.3773 ( 1676 PWs) bands (ev): 3.3939 3.3939 3.4731 3.4731 4.7573 4.7573 5.1970 5.1970 5.7094 5.7094 5.9533 5.9533 8.1818 8.1818 11.3336 11.3336 13.2857 13.2857 13.5997 13.5997 14.1714 14.1714 15.6935 15.6935 k = 0.1056 0.1056 0.3773 ( 1676 PWs) bands (ev): 3.3852 3.3852 3.4626 3.4626 4.7422 4.7422 5.2033 5.2033 5.7298 5.7298 5.9569 5.9569 8.1027 8.1027 11.2760 11.2760 13.3102 13.3102 13.5924 13.5924 14.1339 14.1339 15.7515 15.7515 k = 0.0986 0.0986 0.3773 ( 1676 PWs) bands (ev): 3.3767 3.3767 3.4519 3.4519 4.7290 4.7290 5.2102 5.2102 5.7494 5.7494 5.9609 5.9609 8.0266 8.0266 11.2217 11.2217 13.3237 13.3237 13.5942 13.5942 14.0990 14.0990 15.8073 15.8073 k = 0.0915 0.0915 0.3773 ( 1672 PWs) bands (ev): 3.3687 3.3687 3.4411 3.4411 4.7175 4.7175 5.2175 5.2175 5.7683 5.7683 5.9653 5.9653 7.9539 7.9539 11.1710 11.1710 13.3266 13.3266 13.6045 13.6045 14.0667 14.0667 15.8605 15.8605 k = 0.0845 0.0845 0.3773 ( 1672 PWs) bands (ev): 3.3611 3.3611 3.4303 3.4303 4.7076 4.7076 5.2251 5.2251 5.7864 5.7864 5.9699 5.9699 7.8848 7.8848 11.1238 11.1238 13.3214 13.3214 13.6210 13.6210 14.0373 14.0373 15.9107 15.9107 k = 0.0775 0.0775 0.3773 ( 1674 PWs) bands (ev): 3.3539 3.3539 3.4198 3.4198 4.6992 4.6992 5.2327 5.2327 5.8036 5.8036 5.9746 5.9746 7.8196 7.8196 11.0802 11.0802 13.3109 13.3109 13.6407 13.6407 14.0108 14.0108 15.9577 15.9577 k = 0.0704 0.0704 0.3773 ( 1678 PWs) bands (ev): 3.3472 3.3472 3.4097 3.4097 4.6922 4.6922 5.2403 5.2403 5.8198 5.8198 5.9795 5.9795 7.7586 7.7586 11.0401 11.0401 13.2976 13.2976 13.6609 13.6609 13.9877 13.9877 16.0013 16.0013 k = 0.0634 0.0634 0.3773 ( 1678 PWs) bands (ev): 3.3411 3.3411 3.4000 3.4000 4.6863 4.6863 5.2477 5.2477 5.8350 5.8350 5.9842 5.9842 7.7021 7.7021 11.0038 11.0038 13.2832 13.2832 13.6798 13.6798 13.9682 13.9682 16.0412 16.0412 k = 0.0563 0.0563 0.3773 ( 1682 PWs) bands (ev): 3.3355 3.3355 3.3910 3.3910 4.6815 4.6815 5.2547 5.2547 5.8490 5.8490 5.9888 5.9888 7.6505 7.6505 10.9711 10.9711 13.2687 13.2687 13.6963 13.6963 13.9524 13.9524 16.0773 16.0773 k = 0.0493 0.0493 0.3773 ( 1682 PWs) bands (ev): 3.3305 3.3305 3.3828 3.3828 4.6777 4.6777 5.2613 5.2613 5.8617 5.8617 5.9932 5.9932 7.6039 7.6039 10.9422 10.9422 13.2550 13.2550 13.7095 13.7095 13.9406 13.9406 16.1094 16.1094 k = 0.0423 0.0423 0.3773 ( 1678 PWs) bands (ev): 3.3262 3.3262 3.3754 3.3754 4.6746 4.6746 5.2673 5.2673 5.8730 5.8730 5.9973 5.9973 7.5628 7.5628 10.9171 10.9171 13.2425 13.2425 13.7192 13.7192 13.9326 13.9326 16.1375 16.1375 k = 0.0352 0.0352 0.3773 ( 1678 PWs) bands (ev): 3.3224 3.3224 3.3691 3.3691 4.6722 4.6722 5.2726 5.2726 5.8828 5.8828 6.0009 6.0009 7.5274 7.5274 10.8958 10.8958 13.2314 13.2314 13.7256 13.7256 13.9279 13.9279 16.1613 16.1613 k = 0.0282 0.0282 0.3773 ( 1678 PWs) bands (ev): 3.3194 3.3194 3.3637 3.3637 4.6704 4.6704 5.2770 5.2770 5.8910 5.8910 6.0041 6.0041 7.4979 7.4979 10.8783 10.8783 13.2222 13.2222 13.7293 13.7293 13.9258 13.9258 16.1810 16.1810 k = 0.0211 0.0211 0.3773 ( 1674 PWs) bands (ev): 3.3170 3.3170 3.3595 3.3595 4.6691 4.6691 5.2806 5.2806 5.8975 5.8975 6.0066 6.0066 7.4748 7.4748 10.8647 10.8647 13.2148 13.2148 13.7310 13.7310 13.9254 13.9254 16.1963 16.1963 k = 0.0141 0.0141 0.3773 ( 1670 PWs) bands (ev): 3.3153 3.3153 3.3564 3.3564 4.6682 4.6682 5.2832 5.2832 5.9022 5.9022 6.0085 6.0085 7.4580 7.4580 10.8550 10.8550 13.2095 13.2095 13.7316 13.7316 13.9258 13.9258 16.2072 16.2072 k = 0.0070 0.0070 0.3773 ( 1674 PWs) bands (ev): 3.3142 3.3142 3.3546 3.3546 4.6677 4.6677 5.2848 5.2848 5.9051 5.9051 6.0097 6.0097 7.4479 7.4479 10.8491 10.8491 13.2062 13.2062 13.7317 13.7317 13.9263 13.9263 16.2138 16.2138 k = 0.0000 0.0000 0.3773 ( 1674 PWs) bands (ev): 3.3139 3.3139 3.3540 3.3540 4.6675 4.6675 5.2853 5.2853 5.9060 5.9060 6.0101 6.0101 7.4446 7.4446 10.8472 10.8472 13.2052 13.2052 13.7317 13.7317 13.9266 13.9266 16.2160 16.2160 k = 0.0000 0.5000-0.0000 ( 1666 PWs) bands (ev): 3.3985 3.3985 3.5583 3.5583 5.0450 5.0450 5.2044 5.2044 5.6448 5.6448 8.1463 8.1463 8.3202 8.3202 10.5974 10.5974 11.3762 11.3762 13.6804 13.6804 15.0173 15.0173 18.1966 18.1966 k = 0.0000 0.5000 0.0099 ( 1662 PWs) bands (ev): 3.3983 3.3983 3.5580 3.5580 5.0446 5.0446 5.2042 5.2042 5.6446 5.6446 8.1490 8.1490 8.3193 8.3193 10.5998 10.5998 11.3769 11.3769 13.6817 13.6817 15.0178 15.0178 18.1931 18.1931 k = 0.0000 0.5000 0.0199 ( 1662 PWs) bands (ev): 3.3979 3.3979 3.5570 3.5570 5.0434 5.0434 5.2034 5.2034 5.6440 5.6440 8.1569 8.1569 8.3166 8.3166 10.6072 10.6072 11.3792 11.3792 13.6856 13.6856 15.0193 15.0193 18.1825 18.1825 k = 0.0000 0.5000 0.0298 ( 1662 PWs) bands (ev): 3.3971 3.3971 3.5553 3.5553 5.0413 5.0413 5.2022 5.2022 5.6430 5.6430 8.1696 8.1696 8.3127 8.3127 10.6194 10.6194 11.3829 11.3829 13.6921 13.6921 15.0217 15.0217 18.1649 18.1649 k = 0.0000 0.5000 0.0397 ( 1662 PWs) bands (ev): 3.3960 3.3960 3.5529 3.5529 5.0386 5.0386 5.2005 5.2005 5.6416 5.6416 8.1860 8.1860 8.3085 8.3085 10.6362 10.6362 11.3881 11.3881 13.7012 13.7012 15.0252 15.0252 18.1399 18.1399 k = 0.0000 0.5000 0.0496 ( 1660 PWs) bands (ev): 3.3946 3.3946 3.5499 3.5499 5.0350 5.0350 5.1983 5.1983 5.6399 5.6399 8.2037 8.2037 8.3067 8.3067 10.6575 10.6575 11.3948 11.3948 13.7128 13.7128 15.0296 15.0296 18.1075 18.1075 k = 0.0000 0.5000 0.0596 ( 1660 PWs) bands (ev): 3.3930 3.3930 3.5463 3.5463 5.0307 5.0307 5.1958 5.1958 5.6379 5.6379 8.2174 8.2174 8.3126 8.3126 10.6828 10.6828 11.4028 11.4028 13.7268 13.7268 15.0349 15.0349 18.0673 18.0673 k = 0.0000 0.5000 0.0695 ( 1652 PWs) bands (ev): 3.3910 3.3910 3.5421 3.5421 5.0258 5.0258 5.1929 5.1929 5.6357 5.6357 8.2209 8.2209 8.3325 8.3325 10.7120 10.7120 11.4121 11.4121 13.7432 13.7432 15.0411 15.0411 18.0192 18.0192 k = 0.0000 0.5000 0.0794 ( 1656 PWs) bands (ev): 3.3887 3.3887 3.5373 3.5373 5.0202 5.0202 5.1898 5.1898 5.6333 5.6333 8.2145 8.2145 8.3660 8.3660 10.7447 10.7447 11.4226 11.4226 13.7619 13.7619 15.0481 15.0481 17.9629 17.9629 k = 0.0000 0.5000 0.0894 ( 1650 PWs) bands (ev): 3.3861 3.3861 3.5320 3.5320 5.0140 5.0140 5.1863 5.1863 5.6308 5.6308 8.2023 8.2023 8.4093 8.4093 10.7804 10.7804 11.4343 11.4343 13.7827 13.7827 15.0559 15.0559 17.8982 17.8982 k = 0.0000 0.5000 0.0993 ( 1658 PWs) bands (ev): 3.3832 3.3832 3.5262 3.5262 5.0073 5.0073 5.1827 5.1827 5.6282 5.6282 8.1868 8.1868 8.4597 8.4597 10.8189 10.8189 11.4471 11.4471 13.8056 13.8056 15.0644 15.0644 17.8252 17.8252 k = 0.0000 0.5000 0.1092 ( 1662 PWs) bands (ev): 3.3800 3.3800 3.5200 3.5200 5.0000 5.0000 5.1789 5.1789 5.6257 5.6257 8.1694 8.1694 8.5160 8.5160 10.8597 10.8597 11.4608 11.4608 13.8303 13.8303 15.0735 15.0735 17.7438 17.7438 k = 0.0000 0.5000 0.1192 ( 1664 PWs) bands (ev): 3.3765 3.3765 3.5134 3.5134 4.9924 4.9924 5.1750 5.1750 5.6232 5.6232 8.1507 8.1507 8.5774 8.5774 10.9025 10.9025 11.4753 11.4753 13.8569 13.8569 15.0833 15.0833 17.6542 17.6542 k = 0.0000 0.5000 0.1291 ( 1664 PWs) bands (ev): 3.3728 3.3728 3.5064 3.5064 4.9843 4.9843 5.1710 5.1710 5.6208 5.6208 8.1314 8.1314 8.6434 8.6434 10.9469 10.9469 11.4906 11.4906 13.8851 13.8851 15.0936 15.0936 17.5568 17.5568 k = 0.0000 0.5000 0.1390 ( 1668 PWs) bands (ev): 3.3688 3.3688 3.4992 3.4992 4.9760 4.9760 5.1670 5.1670 5.6186 5.6186 8.1116 8.1116 8.7137 8.7137 10.9924 10.9924 11.5064 11.5064 13.9147 13.9147 15.1044 15.1044 17.4521 17.4521 k = 0.0000 0.5000 0.1489 ( 1668 PWs) bands (ev): 3.3646 3.3646 3.4918 3.4918 4.9674 4.9674 5.1630 5.1630 5.6167 5.6167 8.0916 8.0916 8.7879 8.7879 11.0387 11.0387 11.5227 11.5227 13.9455 13.9455 15.1155 15.1155 17.3406 17.3406 k = 0.0000 0.5000 0.1589 ( 1664 PWs) bands (ev): 3.3602 3.3602 3.4842 3.4842 4.9586 4.9586 5.1590 5.1590 5.6150 5.6150 8.0717 8.0717 8.8656 8.8656 11.0854 11.0854 11.5393 11.5393 13.9775 13.9775 15.1270 15.1270 17.2232 17.2232 k = 0.0000 0.5000 0.1688 ( 1668 PWs) bands (ev): 3.3555 3.3555 3.4766 3.4766 4.9497 4.9497 5.1550 5.1550 5.6136 5.6136 8.0520 8.0520 8.9467 8.9467 11.1323 11.1323 11.5559 11.5559 14.0103 14.0103 15.1387 15.1387 17.1007 17.1007 k = 0.0000 0.5000 0.1787 ( 1658 PWs) bands (ev): 3.3507 3.3507 3.4689 3.4689 4.9407 4.9407 5.1512 5.1512 5.6125 5.6125 8.0327 8.0327 9.0307 9.0307 11.1788 11.1788 11.5726 11.5726 14.0438 14.0438 15.1505 15.1505 16.9740 16.9740 k = 0.0000 0.5000 0.1887 ( 1658 PWs) bands (ev): 3.3458 3.3458 3.4612 3.4612 4.9318 4.9318 5.1474 5.1474 5.6118 5.6118 8.0139 8.0139 9.1173 9.1173 11.2248 11.2248 11.5891 11.5891 14.0777 14.0777 15.1623 15.1623 16.8440 16.8440 k = 0.0000 0.5000 0.1986 ( 1662 PWs) bands (ev): 3.3408 3.3408 3.4535 3.4535 4.9228 4.9228 5.1436 5.1436 5.6114 5.6114 7.9956 7.9956 9.2062 9.2062 11.2697 11.2697 11.6052 11.6052 14.1118 14.1118 15.1741 15.1741 16.7117 16.7117 k = 0.0000 0.5000 0.2085 ( 1662 PWs) bands (ev): 3.3356 3.3356 3.4461 3.4461 4.9140 4.9140 5.1400 5.1400 5.6114 5.6114 7.9781 7.9781 9.2971 9.2971 11.3134 11.3134 11.6208 11.6208 14.1460 14.1460 15.1857 15.1857 16.5781 16.5781 k = 0.0000 0.5000 0.2185 ( 1662 PWs) bands (ev): 3.3305 3.3305 3.4387 3.4387 4.9054 4.9054 5.1365 5.1365 5.6117 5.6117 7.9613 7.9613 9.3895 9.3895 11.3554 11.3554 11.6358 11.6358 14.1799 14.1799 15.1971 15.1971 16.4443 16.4443 k = 0.0000 0.5000 0.2284 ( 1654 PWs) bands (ev): 3.3253 3.3253 3.4317 3.4317 4.8969 4.8969 5.1331 5.1331 5.6123 5.6123 7.9453 7.9453 9.4830 9.4830 11.3954 11.3954 11.6500 11.6500 14.2133 14.2133 15.2081 15.2081 16.3113 16.3113 k = 0.0000 0.5000 0.2383 ( 1654 PWs) bands (ev): 3.3202 3.3202 3.4249 3.4249 4.8888 4.8888 5.1299 5.1299 5.6133 5.6133 7.9302 7.9302 9.5771 9.5771 11.4330 11.4330 11.6635 11.6635 14.2459 14.2459 15.2187 15.2187 16.1800 16.1800 k = 0.0000 0.5000 0.2482 ( 1658 PWs) bands (ev): 3.3152 3.3152 3.4184 3.4184 4.8809 4.8809 5.1268 5.1268 5.6144 5.6144 7.9160 7.9160 9.6713 9.6713 11.4678 11.4678 11.6761 11.6761 14.2776 14.2776 15.2286 15.2286 16.0516 16.0516 k = 0.0000 0.5000 0.2582 ( 1658 PWs) bands (ev): 3.3103 3.3103 3.4122 3.4122 4.8735 4.8735 5.1238 5.1238 5.6158 5.6158 7.9028 7.9028 9.7651 9.7651 11.4992 11.4992 11.6880 11.6880 14.3081 14.3081 15.2377 15.2377 15.9272 15.9272 k = 0.0000 0.5000 0.2681 ( 1662 PWs) bands (ev): 3.3056 3.3056 3.4065 3.4065 4.8665 4.8665 5.1210 5.1210 5.6174 5.6174 7.8906 7.8906 9.8577 9.8577 11.5269 11.5269 11.6994 11.6994 14.3372 14.3372 15.2458 15.2458 15.8079 15.8079 k = 0.0000 0.5000 0.2780 ( 1668 PWs) bands (ev): 3.3011 3.3011 3.4011 3.4011 4.8599 4.8599 5.1184 5.1184 5.6190 5.6190 7.8793 7.8793 9.9484 9.9484 11.5501 11.5501 11.7106 11.7106 14.3646 14.3646 15.2524 15.2524 15.6952 15.6952 k = 0.0000 0.5000 0.2880 ( 1668 PWs) bands (ev): 3.2969 3.2969 3.3962 3.3962 4.8538 4.8538 5.1159 5.1159 5.6207 5.6207 7.8691 7.8691 10.0364 10.0364 11.5685 11.5685 11.7218 11.7218 14.3901 14.3901 15.2567 15.2567 15.5908 15.5908 k = 0.0000 0.5000 0.2979 ( 1660 PWs) bands (ev): 3.2930 3.2930 3.3918 3.3918 4.8483 4.8483 5.1137 5.1137 5.6225 5.6225 7.8600 7.8600 10.1208 10.1208 11.5817 11.5817 11.7333 11.7333 14.4135 14.4135 15.2570 15.2570 15.4975 15.4975 k = 0.0000 0.5000 0.3078 ( 1660 PWs) bands (ev): 3.2895 3.2895 3.3879 3.3879 4.8433 4.8433 5.1117 5.1117 5.6241 5.6241 7.8519 7.8519 10.2003 10.2003 11.5900 11.5900 11.7449 11.7449 14.4346 14.4346 15.2492 15.2492 15.4203 15.4203 k = 0.0000 0.5000 0.3178 ( 1660 PWs) bands (ev): 3.2863 3.2863 3.3844 3.3844 4.8390 4.8390 5.1100 5.1100 5.6257 5.6257 7.8449 7.8449 10.2739 10.2739 11.5938 11.5938 11.7562 11.7562 14.4532 14.4532 15.2253 15.2253 15.3681 15.3681 k = 0.0000 0.5000 0.3277 ( 1652 PWs) bands (ev): 3.2836 3.2836 3.3815 3.3815 4.8353 4.8353 5.1085 5.1085 5.6271 5.6271 7.8389 7.8389 10.3400 10.3400 11.5940 11.5940 11.7669 11.7669 14.4692 14.4692 15.1841 15.1841 15.3433 15.3433 k = 0.0000 0.5000 0.3376 ( 1648 PWs) bands (ev): 3.2813 3.2813 3.3790 3.3790 4.8322 4.8322 5.1072 5.1072 5.6284 5.6284 7.8341 7.8341 10.3973 10.3973 11.5918 11.5918 11.7763 11.7763 14.4824 14.4824 15.1378 15.1378 15.3341 15.3341 k = 0.0000 0.5000 0.3475 ( 1656 PWs) bands (ev): 3.2795 3.2795 3.3771 3.3771 4.8298 4.8298 5.1062 5.1062 5.6293 5.6293 7.8303 7.8303 10.4440 10.4440 11.5884 11.5884 11.7840 11.7840 14.4927 14.4927 15.0969 15.0969 15.3310 15.3310 k = 0.0000 0.5000 0.3575 ( 1656 PWs) bands (ev): 3.2783 3.2783 3.3758 3.3758 4.8280 4.8280 5.1055 5.1055 5.6301 5.6301 7.8275 7.8275 10.4788 10.4788 11.5848 11.5848 11.7898 11.7898 14.5002 14.5002 15.0660 15.0660 15.3301 15.3301 k = 0.0000 0.5000 0.3674 ( 1656 PWs) bands (ev): 3.2775 3.2775 3.3749 3.3749 4.8270 4.8270 5.1051 5.1051 5.6305 5.6305 7.8259 7.8259 10.5002 10.5002 11.5823 11.5823 11.7933 11.7933 14.5047 14.5047 15.0468 15.0468 15.3300 15.3300 k = 0.0000 0.5000 0.3773 ( 1656 PWs) bands (ev): 3.2772 3.2772 3.3747 3.3747 4.8266 4.8266 5.1049 5.1049 5.6307 5.6307 7.8254 7.8254 10.5075 10.5075 11.5813 11.5813 11.7945 11.7945 14.5062 14.5062 15.0404 15.0404 15.3300 15.3300 k = 0.5000 0.5000-0.0000 ( 1668 PWs) bands (ev): 3.1763 3.1763 3.2366 3.2366 4.5443 4.5443 4.8705 4.8705 6.1722 6.1722 9.0872 9.0872 11.9608 11.9608 12.8264 12.8264 13.6200 13.6200 13.6821 13.6821 13.8122 13.8122 16.7123 16.7123 k = 0.5000 0.5000 0.0099 ( 1644 PWs) bands (ev): 3.1767 3.1767 3.2371 3.2371 4.5448 4.5448 4.8715 4.8715 6.1723 6.1723 9.0873 9.0873 11.9494 11.9494 12.8045 12.8045 13.6335 13.6335 13.6989 13.6989 13.8205 13.8205 16.6937 16.6937 k = 0.5000 0.5000 0.0199 ( 1652 PWs) bands (ev): 3.1779 3.1779 3.2385 3.2385 4.5462 4.5462 4.8748 4.8748 6.1726 6.1726 9.0876 9.0876 11.9163 11.9163 12.7447 12.7447 13.6729 13.6729 13.7343 13.7343 13.8541 13.8541 16.6396 16.6396 k = 0.5000 0.5000 0.0298 ( 1656 PWs) bands (ev): 3.1797 3.1797 3.2407 3.2407 4.5486 4.5486 4.8801 4.8801 6.1730 6.1730 9.0880 9.0880 11.8643 11.8643 12.6592 12.6592 13.7354 13.7354 13.7618 13.7618 13.9276 13.9276 16.5543 16.5543 k = 0.5000 0.5000 0.0397 ( 1656 PWs) bands (ev): 3.1823 3.1823 3.2439 3.2439 4.5518 4.5518 4.8876 4.8876 6.1737 6.1737 9.0887 9.0887 11.7972 11.7972 12.5583 12.5583 13.7792 13.7792 13.8171 13.8171 14.0328 14.0328 16.4434 16.4434 k = 0.5000 0.5000 0.0496 ( 1656 PWs) bands (ev): 3.1857 3.1857 3.2480 3.2480 4.5560 4.5560 4.8972 4.8972 6.1745 6.1745 9.0895 9.0895 11.7186 11.7186 12.4489 12.4489 13.7937 13.7937 13.9143 13.9143 14.1556 14.1556 16.3127 16.3127 k = 0.5000 0.5000 0.0596 ( 1656 PWs) bands (ev): 3.1897 3.1897 3.2529 3.2529 4.5611 4.5611 4.9088 4.9088 6.1754 6.1754 9.0905 9.0905 11.6318 11.6318 12.3349 12.3349 13.8084 13.8084 14.0237 14.0237 14.2889 14.2889 16.1673 16.1673 k = 0.5000 0.5000 0.0695 ( 1656 PWs) bands (ev): 3.1944 3.1944 3.2587 3.2587 4.5670 4.5670 4.9225 4.9225 6.1766 6.1766 9.0916 9.0916 11.5394 11.5394 12.2189 12.2189 13.8244 13.8244 14.1423 14.1423 14.4292 14.4292 16.0115 16.0115 k = 0.5000 0.5000 0.0794 ( 1656 PWs) bands (ev): 3.1997 3.1997 3.2652 3.2652 4.5737 4.5737 4.9381 4.9381 6.1779 6.1779 9.0929 9.0929 11.4433 11.4433 12.1024 12.1024 13.8421 13.8421 14.2679 14.2679 14.5743 14.5743 15.8491 15.8491 k = 0.5000 0.5000 0.0894 ( 1656 PWs) bands (ev): 3.2057 3.2057 3.2725 3.2725 4.5813 4.5813 4.9557 4.9557 6.1794 6.1794 9.0944 9.0944 11.3451 11.3451 11.9863 11.9863 13.8616 13.8616 14.3979 14.3979 14.7231 14.7231 15.6834 15.6834 k = 0.5000 0.5000 0.0993 ( 1656 PWs) bands (ev): 3.2122 3.2122 3.2805 3.2805 4.5895 4.5895 4.9751 4.9751 6.1810 6.1810 9.0960 9.0960 11.2460 11.2460 11.8714 11.8714 13.8832 13.8832 14.5293 14.5293 14.8749 14.8749 15.5182 15.5182 k = 0.5000 0.5000 0.1092 ( 1656 PWs) bands (ev): 3.2192 3.2192 3.2892 3.2892 4.5985 4.5985 4.9963 4.9963 6.1828 6.1828 9.0978 9.0978 11.1469 11.1469 11.7582 11.7582 13.9068 13.9068 14.6557 14.6557 15.0289 15.0289 15.3605 15.3605 k = 0.5000 0.5000 0.1192 ( 1656 PWs) bands (ev): 3.2267 3.2267 3.2985 3.2985 4.6082 4.6082 5.0192 5.0192 6.1847 6.1847 9.0996 9.0996 11.0486 11.0486 11.6470 11.6470 13.9323 13.9323 14.7587 14.7587 15.1849 15.1849 15.2294 15.2294 k = 0.5000 0.5000 0.1291 ( 1656 PWs) bands (ev): 3.2346 3.2346 3.3083 3.3083 4.6185 4.6185 5.0437 5.0437 6.1867 6.1867 9.1016 9.1016 10.9515 10.9515 11.5381 11.5381 13.9598 13.9598 14.7811 14.7811 15.1824 15.1824 15.3425 15.3425 k = 0.5000 0.5000 0.1390 ( 1660 PWs) bands (ev): 3.2429 3.2429 3.3186 3.3186 4.6293 4.6293 5.0697 5.0697 6.1888 6.1888 9.1037 9.1037 10.8563 10.8563 11.4318 11.4318 13.9892 13.9892 14.6887 14.6887 15.2539 15.2539 15.5013 15.5013 k = 0.5000 0.5000 0.1489 ( 1668 PWs) bands (ev): 3.2515 3.2515 3.3294 3.3294 4.6406 4.6406 5.0970 5.0970 6.1911 6.1911 9.1059 9.1059 10.7634 10.7634 11.3283 11.3283 14.0204 14.0204 14.5452 14.5452 15.3808 15.3808 15.6612 15.6612 k = 0.5000 0.5000 0.1589 ( 1668 PWs) bands (ev): 3.2604 3.2604 3.3405 3.3405 4.6523 4.6523 5.1256 5.1256 6.1934 6.1934 9.1081 9.1081 10.6729 10.6729 11.2278 11.2278 14.0533 14.0533 14.3876 14.3876 15.5261 15.5261 15.8219 15.8219 k = 0.5000 0.5000 0.1688 ( 1668 PWs) bands (ev): 3.2695 3.2695 3.3519 3.3519 4.6643 4.6643 5.1553 5.1553 6.1959 6.1959 9.1103 9.1103 10.5854 10.5854 11.1304 11.1304 14.0879 14.0879 14.2269 14.2269 15.6793 15.6793 15.9832 15.9832 k = 0.5000 0.5000 0.1787 ( 1668 PWs) bands (ev): 3.2787 3.2787 3.3635 3.3635 4.6766 4.6766 5.1859 5.1859 6.1984 6.1984 9.1125 9.1125 10.5009 10.5009 11.0363 11.0363 14.0667 14.0667 14.1240 14.1240 15.8368 15.8368 16.1450 16.1450 k = 0.5000 0.5000 0.1887 ( 1668 PWs) bands (ev): 3.2880 3.2880 3.3753 3.3753 4.6891 4.6891 5.2173 5.2173 6.2009 6.2009 9.1147 9.1147 10.4199 10.4199 10.9457 10.9457 13.9090 13.9090 14.1615 14.1615 15.9971 15.9971 16.3070 16.3070 k = 0.5000 0.5000 0.1986 ( 1664 PWs) bands (ev): 3.2972 3.2972 3.3871 3.3871 4.7018 4.7018 5.2492 5.2492 6.2035 6.2035 9.1167 9.1167 10.3425 10.3425 10.8587 10.8587 13.7548 13.7548 14.2002 14.2002 16.1593 16.1593 16.4690 16.4690 k = 0.5000 0.5000 0.2085 ( 1664 PWs) bands (ev): 3.3065 3.3065 3.3989 3.3989 4.7144 4.7144 5.2815 5.2815 6.2061 6.2061 9.1186 9.1186 10.2690 10.2690 10.7754 10.7754 13.6049 13.6049 14.2400 14.2400 16.3228 16.3228 16.6309 16.6309 k = 0.5000 0.5000 0.2185 ( 1672 PWs) bands (ev): 3.3156 3.3156 3.4106 3.4106 4.7270 4.7270 5.3140 5.3140 6.2087 6.2087 9.1202 9.1202 10.1995 10.1995 10.6960 10.6960 13.4599 13.4599 14.2805 14.2805 16.4872 16.4872 16.7924 16.7924 k = 0.5000 0.5000 0.2284 ( 1664 PWs) bands (ev): 3.3246 3.3246 3.4222 3.4222 4.7395 4.7395 5.3463 5.3463 6.2113 6.2113 9.1216 9.1216 10.1342 10.1342 10.6206 10.6206 13.3203 13.3203 14.3216 14.3216 16.6524 16.6524 16.9532 16.9532 k = 0.5000 0.5000 0.2383 ( 1664 PWs) bands (ev): 3.3333 3.3333 3.4334 3.4334 4.7517 4.7517 5.3784 5.3784 6.2138 6.2138 9.1226 9.1226 10.0734 10.0734 10.5493 10.5493 13.1866 13.1866 14.3630 14.3630 16.8178 16.8178 17.1132 17.1132 k = 0.5000 0.5000 0.2482 ( 1664 PWs) bands (ev): 3.3417 3.3417 3.4444 3.4444 4.7635 4.7635 5.4099 5.4099 6.2163 6.2163 9.1232 9.1232 10.0171 10.0171 10.4823 10.4823 13.0593 13.0593 14.4044 14.4044 16.9834 16.9834 17.2720 17.2721 k = 0.5000 0.5000 0.2582 ( 1672 PWs) bands (ev): 3.3497 3.3497 3.4549 3.4549 4.7749 4.7749 5.4405 5.4405 6.2187 6.2187 9.1233 9.1233 9.9656 9.9656 10.4197 10.4197 12.9389 12.9389 14.4454 14.4454 17.1488 17.1488 17.4293 17.4293 k = 0.5000 0.5000 0.2681 ( 1688 PWs) bands (ev): 3.3573 3.3573 3.4648 3.4648 4.7858 4.7858 5.4700 5.4700 6.2210 6.2210 9.1228 9.1228 9.9188 9.9188 10.3615 10.3615 12.8258 12.8258 14.4857 14.4857 17.3138 17.3138 17.5848 17.5848 k = 0.5000 0.5000 0.2780 ( 1688 PWs) bands (ev): 3.3645 3.3645 3.4743 3.4743 4.7961 4.7961 5.4982 5.4982 6.2232 6.2232 9.1218 9.1218 9.8769 9.8769 10.3080 10.3080 12.7205 12.7205 14.5248 14.5248 17.4781 17.4781 17.7379 17.7379 k = 0.5000 0.5000 0.2880 ( 1688 PWs) bands (ev): 3.3711 3.3711 3.4830 3.4830 4.8058 4.8058 5.5247 5.5247 6.2253 6.2253 9.1203 9.1203 9.8398 9.8398 10.2592 10.2592 12.6233 12.6233 14.5623 14.5623 17.6407 17.6407 17.8630 17.8630 k = 0.5000 0.5000 0.2979 ( 1696 PWs) bands (ev): 3.3772 3.3772 3.4911 3.4911 4.8146 4.8146 5.5493 5.5493 6.2272 6.2272 9.1183 9.1183 9.8075 9.8075 10.2153 10.2153 12.5349 12.5349 14.5977 14.5977 17.7948 17.7948 17.8726 17.8726 k = 0.5000 0.5000 0.3078 ( 1696 PWs) bands (ev): 3.3826 3.3826 3.4984 3.4984 4.8227 4.8227 5.5717 5.5717 6.2289 6.2289 9.1159 9.1159 9.7798 9.7798 10.1762 10.1762 12.4556 12.4556 14.6305 14.6305 17.8525 17.8525 17.9776 17.9776 k = 0.5000 0.5000 0.3178 ( 1692 PWs) bands (ev): 3.3875 3.3875 3.5048 3.5048 4.8298 4.8298 5.5917 5.5917 6.2304 6.2304 9.1133 9.1133 9.7566 9.7566 10.1422 10.1422 12.3858 12.3858 14.6602 14.6602 17.8569 17.8569 18.1345 18.1345 k = 0.5000 0.5000 0.3277 ( 1692 PWs) bands (ev): 3.3916 3.3916 3.5103 3.5103 4.8359 4.8359 5.6091 5.6091 6.2318 6.2318 9.1106 9.1106 9.7376 9.7376 10.1133 10.1133 12.3260 12.3260 14.6864 14.6864 17.8583 17.8583 18.2926 18.2926 k = 0.5000 0.5000 0.3376 ( 1692 PWs) bands (ev): 3.3950 3.3950 3.5149 3.5149 4.8410 4.8410 5.6236 5.6236 6.2329 6.2329 9.1081 9.1081 9.7225 9.7225 10.0895 10.0895 12.2765 12.2765 14.7086 14.7086 17.8590 17.8590 18.4493 18.4493 k = 0.5000 0.5000 0.3475 ( 1692 PWs) bands (ev): 3.3977 3.3977 3.5186 3.5186 4.8450 4.8450 5.6351 5.6351 6.2338 6.2338 9.1058 9.1058 9.7111 9.7111 10.0710 10.0710 12.2376 12.2376 14.7263 14.7263 17.8595 17.8595 18.6033 18.6033 k = 0.5000 0.5000 0.3575 ( 1712 PWs) bands (ev): 3.3997 3.3997 3.5211 3.5211 4.8478 4.8478 5.6433 5.6433 6.2344 6.2344 9.1041 9.1041 9.7032 9.7032 10.0577 10.0577 12.2096 12.2096 14.7392 14.7392 17.8597 17.8597 18.7501 18.7526 k = 0.5000 0.5000 0.3674 ( 1712 PWs) bands (ev): 3.4008 3.4008 3.5227 3.5227 4.8496 4.8496 5.6484 5.6484 6.2348 6.2348 9.1030 9.1030 9.6985 9.6985 10.0497 10.0497 12.1928 12.1928 14.7471 14.7471 17.8599 17.8599 18.7903 18.7903 k = 0.5000 0.5000 0.3773 ( 1712 PWs) bands (ev): 3.4012 3.4012 3.5232 3.5232 4.8502 4.8502 5.6500 5.6500 6.2349 6.2349 9.1026 9.1026 9.6970 9.6970 10.0470 10.0470 12.1871 12.1871 14.7497 14.7497 17.8599 17.8599 18.8087 18.8087 Writing output data file ZrHg.save init_run : 0.10s CPU 0.23s WALL ( 1 calls) electrons : 63.03s CPU 64.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 63.03s CPU 64.77s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 465 calls) cegterg : 58.92s CPU 60.36s WALL ( 655 calls) Called by sum_band: Called by *egterg: h_psi : 27.43s CPU 28.22s WALL ( 11330 calls) s_psi : 0.94s CPU 0.91s WALL ( 11330 calls) g_psi : 0.06s CPU 0.10s WALL ( 10210 calls) cdiaghg : 28.03s CPU 28.82s WALL ( 10675 calls) cegterg:over : 2.02s CPU 2.10s WALL ( 10210 calls) cegterg:upda : 1.52s CPU 1.56s WALL ( 10210 calls) cegterg:last : 0.97s CPU 0.92s WALL ( 2410 calls) cdiaghg:chol : 1.54s CPU 1.46s WALL ( 10675 calls) cdiaghg:inve : 0.47s CPU 0.50s WALL ( 10675 calls) cdiaghg:para : 1.83s CPU 1.87s WALL ( 21350 calls) Called by h_psi: h_psi:vloc : 24.81s CPU 25.58s WALL ( 11330 calls) h_psi:vnl : 2.58s CPU 2.59s WALL ( 11330 calls) add_vuspsi : 1.31s CPU 1.37s WALL ( 11330 calls) General routines calbec : 1.24s CPU 1.19s WALL ( 11330 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.93s CPU 23.75s WALL ( 712120 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.10s WALL ( 930 calls) Parallel routines fft_scatter : 12.65s CPU 13.10s WALL ( 712143 calls) PWSCF : 1m10.91s CPU 1m23.80s WALL This run was terminated on: 19:47:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=