Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:58 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: ./CuTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 18 5 1027 694 115 Max 24 19 6 1042 725 124 Sum 861 673 205 37345 25485 4287 bravais-lattice index = 14 lattice parameter (alat) = 5.9621 a.u. unit-cell volume = 606.0257 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.962085 celldm(2)= 1.296989 celldm(3)= 2.204754 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 1.296989 0.000000 ) a(3) = ( 0.000000 0.000000 2.204754 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.771017 -0.000000 ) b(3) = ( 0.000000 0.000000 0.453565 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6484945 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6484945 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6484945 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6484945 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0021739 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0021739 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0021739 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0021739 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0021739 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0021739 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0021739 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0098848 -0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0197697 -0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0296545 -0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0395393 -0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0494241 -0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0593090 -0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.0691938 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.0790786 -0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.0889635 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.0988483 -0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1087331 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1186179 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1285028 -0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1383876 -0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.1482724 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.1581573 -0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.1680421 -0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.1779269 -0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.1878117 -0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.1976966 -0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2075814 -0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2174662 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.2273511 -0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.2372359 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.2471207 -0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.2570055 -0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.2668904 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.2767752 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.2866600 -0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.2965448 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.3064297 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.3163145 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.3261993 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.3360842 -0.0000000), wk = 0.0021739 k( 87) = ( 0.5000000 0.3459690 -0.0000000), wk = 0.0021739 k( 88) = ( 0.5000000 0.3558538 -0.0000000), wk = 0.0021739 k( 89) = ( 0.5000000 0.3657386 -0.0000000), wk = 0.0021739 k( 90) = ( 0.5000000 0.3756235 -0.0000000), wk = 0.0021739 k( 91) = ( 0.5000000 0.3855083 -0.0000000), wk = 0.0021739 k( 92) = ( 0.5000000 0.3855083 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4900000 0.3855083 -0.0000000), wk = 0.0021739 k( 94) = ( 0.4800000 0.3855083 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4700000 0.3855083 -0.0000000), wk = 0.0021739 k( 96) = ( 0.4600000 0.3855083 -0.0000000), wk = 0.0021739 k( 97) = ( 0.4500000 0.3855083 -0.0000000), wk = 0.0021739 k( 98) = ( 0.4400000 0.3855083 -0.0000000), wk = 0.0021739 k( 99) = ( 0.4300000 0.3855083 -0.0000000), wk = 0.0021739 k( 100) = ( 0.4200000 0.3855083 -0.0000000), wk = 0.0021739 k( 101) = ( 0.4100000 0.3855083 -0.0000000), wk = 0.0021739 k( 102) = ( 0.4000000 0.3855083 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3900000 0.3855083 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3800000 0.3855083 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3700000 0.3855083 -0.0000000), wk = 0.0021739 k( 106) = ( 0.3600000 0.3855083 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3500000 0.3855083 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3400000 0.3855083 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3300000 0.3855083 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3200000 0.3855083 -0.0000000), wk = 0.0021739 k( 111) = ( 0.3100000 0.3855083 -0.0000000), wk = 0.0021739 k( 112) = ( 0.3000000 0.3855083 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2900000 0.3855083 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2800000 0.3855083 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2700000 0.3855083 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2600000 0.3855083 -0.0000000), wk = 0.0021739 k( 117) = ( 0.2500000 0.3855083 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2400000 0.3855083 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2300000 0.3855083 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2200000 0.3855083 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2100000 0.3855083 -0.0000000), wk = 0.0021739 k( 122) = ( 0.2000000 0.3855083 -0.0000000), wk = 0.0021739 k( 123) = ( 0.1900000 0.3855083 -0.0000000), wk = 0.0021739 k( 124) = ( 0.1800000 0.3855083 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1700000 0.3855083 -0.0000000), wk = 0.0021739 k( 126) = ( 0.1600000 0.3855083 -0.0000000), wk = 0.0021739 k( 127) = ( 0.1500000 0.3855083 -0.0000000), wk = 0.0021739 k( 128) = ( 0.1400000 0.3855083 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1300000 0.3855083 -0.0000000), wk = 0.0021739 k( 130) = ( 0.1200000 0.3855083 -0.0000000), wk = 0.0021739 k( 131) = ( 0.1100000 0.3855083 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1000000 0.3855083 -0.0000000), wk = 0.0021739 k( 133) = ( 0.0900000 0.3855083 -0.0000000), wk = 0.0021739 k( 134) = ( 0.0800000 0.3855083 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0700000 0.3855083 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0600000 0.3855083 -0.0000000), wk = 0.0021739 k( 137) = ( 0.0500000 0.3855083 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0400000 0.3855083 -0.0000000), wk = 0.0021739 k( 139) = ( 0.0300000 0.3855083 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0200000 0.3855083 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0100000 0.3855083 -0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.3855083 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.3855083 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.3756235 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.3657386 -0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.3558538 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.3459690 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.3360842 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.3261993 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.3163145 -0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.3064297 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.2965448 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.2866600 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.2767752 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.2668904 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.2570055 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.2471207 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.2372359 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.2273511 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.2174662 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.2075814 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.1976966 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.1878117 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.1779269 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.1680421 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.1581573 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.1482724 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.1383876 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.1285028 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.1186179 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.1087331 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.0988483 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0000000 0.0889635 -0.0000000), wk = 0.0021739 k( 174) = ( 0.0000000 0.0790786 -0.0000000), wk = 0.0021739 k( 175) = ( 0.0000000 0.0691938 -0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0593090 -0.0000000), wk = 0.0021739 k( 177) = ( 0.0000000 0.0494241 -0.0000000), wk = 0.0021739 k( 178) = ( 0.0000000 0.0395393 -0.0000000), wk = 0.0021739 k( 179) = ( 0.0000000 0.0296545 -0.0000000), wk = 0.0021739 k( 180) = ( 0.0000000 0.0197697 -0.0000000), wk = 0.0021739 k( 181) = ( 0.0000000 0.0098848 -0.0000000), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.0098601), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.0197202), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.0295803), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.0394405), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.0493006), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.0591607), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.0690208), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.0788809), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.0887410), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.0986011), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.1084613), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.1183214), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.1281815), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.1380416), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.1479017), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.1577618), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.1676219), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.1774821), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.1873422), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.1972023), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.2070624), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.2169225), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.2267826), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.2267826), wk = 0.0021739 k( 208) = ( 0.0100000 -0.0000000 0.2267826), wk = 0.0021739 k( 209) = ( 0.0200000 -0.0000000 0.2267826), wk = 0.0021739 k( 210) = ( 0.0300000 -0.0000000 0.2267826), wk = 0.0021739 k( 211) = ( 0.0400000 -0.0000000 0.2267826), wk = 0.0021739 k( 212) = ( 0.0500000 -0.0000000 0.2267826), wk = 0.0021739 k( 213) = ( 0.0600000 -0.0000000 0.2267826), wk = 0.0021739 k( 214) = ( 0.0700000 -0.0000000 0.2267826), wk = 0.0021739 k( 215) = ( 0.0800000 -0.0000000 0.2267826), wk = 0.0021739 k( 216) = ( 0.0900000 -0.0000000 0.2267826), wk = 0.0021739 k( 217) = ( 0.1000000 -0.0000000 0.2267826), wk = 0.0021739 k( 218) = ( 0.1100000 -0.0000000 0.2267826), wk = 0.0021739 k( 219) = ( 0.1200000 -0.0000000 0.2267826), wk = 0.0021739 k( 220) = ( 0.1300000 -0.0000000 0.2267826), wk = 0.0021739 k( 221) = ( 0.1400000 -0.0000000 0.2267826), wk = 0.0021739 k( 222) = ( 0.1500000 -0.0000000 0.2267826), wk = 0.0021739 k( 223) = ( 0.1600000 -0.0000000 0.2267826), wk = 0.0021739 k( 224) = ( 0.1700000 -0.0000000 0.2267826), wk = 0.0021739 k( 225) = ( 0.1800000 -0.0000000 0.2267826), wk = 0.0021739 k( 226) = ( 0.1900000 -0.0000000 0.2267826), wk = 0.0021739 k( 227) = ( 0.2000000 -0.0000000 0.2267826), wk = 0.0021739 k( 228) = ( 0.2100000 -0.0000000 0.2267826), wk = 0.0021739 k( 229) = ( 0.2200000 -0.0000000 0.2267826), wk = 0.0021739 k( 230) = ( 0.2300000 -0.0000000 0.2267826), wk = 0.0021739 k( 231) = ( 0.2400000 -0.0000000 0.2267826), wk = 0.0021739 k( 232) = ( 0.2500000 -0.0000000 0.2267826), wk = 0.0021739 k( 233) = ( 0.2600000 -0.0000000 0.2267826), wk = 0.0021739 k( 234) = ( 0.2700000 -0.0000000 0.2267826), wk = 0.0021739 k( 235) = ( 0.2800000 -0.0000000 0.2267826), wk = 0.0021739 k( 236) = ( 0.2900000 -0.0000000 0.2267826), wk = 0.0021739 k( 237) = ( 0.3000000 -0.0000000 0.2267826), wk = 0.0021739 k( 238) = ( 0.3100000 -0.0000000 0.2267826), wk = 0.0021739 k( 239) = ( 0.3200000 -0.0000000 0.2267826), wk = 0.0021739 k( 240) = ( 0.3300000 -0.0000000 0.2267826), wk = 0.0021739 k( 241) = ( 0.3400000 -0.0000000 0.2267826), wk = 0.0021739 k( 242) = ( 0.3500000 -0.0000000 0.2267826), wk = 0.0021739 k( 243) = ( 0.3600000 -0.0000000 0.2267826), wk = 0.0021739 k( 244) = ( 0.3700000 -0.0000000 0.2267826), wk = 0.0021739 k( 245) = ( 0.3800000 -0.0000000 0.2267826), wk = 0.0021739 k( 246) = ( 0.3900000 -0.0000000 0.2267826), wk = 0.0021739 k( 247) = ( 0.4000000 -0.0000000 0.2267826), wk = 0.0021739 k( 248) = ( 0.4100000 -0.0000000 0.2267826), wk = 0.0021739 k( 249) = ( 0.4200000 -0.0000000 0.2267826), wk = 0.0021739 k( 250) = ( 0.4300000 -0.0000000 0.2267826), wk = 0.0021739 k( 251) = ( 0.4400000 -0.0000000 0.2267826), wk = 0.0021739 k( 252) = ( 0.4500000 -0.0000000 0.2267826), wk = 0.0021739 k( 253) = ( 0.4600000 -0.0000000 0.2267826), wk = 0.0021739 k( 254) = ( 0.4700000 -0.0000000 0.2267826), wk = 0.0021739 k( 255) = ( 0.4800000 -0.0000000 0.2267826), wk = 0.0021739 k( 256) = ( 0.4900000 -0.0000000 0.2267826), wk = 0.0021739 k( 257) = ( 0.5000000 -0.0000000 0.2267826), wk = 0.0021739 k( 258) = ( 0.5000000 -0.0000000 0.2267826), wk = 0.0021739 k( 259) = ( 0.5000000 0.0098848 0.2267826), wk = 0.0021739 k( 260) = ( 0.5000000 0.0197697 0.2267826), wk = 0.0021739 k( 261) = ( 0.5000000 0.0296545 0.2267826), wk = 0.0021739 k( 262) = ( 0.5000000 0.0395393 0.2267826), wk = 0.0021739 k( 263) = ( 0.5000000 0.0494241 0.2267826), wk = 0.0021739 k( 264) = ( 0.5000000 0.0593090 0.2267826), wk = 0.0021739 k( 265) = ( 0.5000000 0.0691938 0.2267826), wk = 0.0021739 k( 266) = ( 0.5000000 0.0790786 0.2267826), wk = 0.0021739 k( 267) = ( 0.5000000 0.0889635 0.2267826), wk = 0.0021739 k( 268) = ( 0.5000000 0.0988483 0.2267826), wk = 0.0021739 k( 269) = ( 0.5000000 0.1087331 0.2267826), wk = 0.0021739 k( 270) = ( 0.5000000 0.1186179 0.2267826), wk = 0.0021739 k( 271) = ( 0.5000000 0.1285028 0.2267826), wk = 0.0021739 k( 272) = ( 0.5000000 0.1383876 0.2267826), wk = 0.0021739 k( 273) = ( 0.5000000 0.1482724 0.2267826), wk = 0.0021739 k( 274) = ( 0.5000000 0.1581573 0.2267826), wk = 0.0021739 k( 275) = ( 0.5000000 0.1680421 0.2267826), wk = 0.0021739 k( 276) = ( 0.5000000 0.1779269 0.2267826), wk = 0.0021739 k( 277) = ( 0.5000000 0.1878117 0.2267826), wk = 0.0021739 k( 278) = ( 0.5000000 0.1976966 0.2267826), wk = 0.0021739 k( 279) = ( 0.5000000 0.2075814 0.2267826), wk = 0.0021739 k( 280) = ( 0.5000000 0.2174662 0.2267826), wk = 0.0021739 k( 281) = ( 0.5000000 0.2273511 0.2267826), wk = 0.0021739 k( 282) = ( 0.5000000 0.2372359 0.2267826), wk = 0.0021739 k( 283) = ( 0.5000000 0.2471207 0.2267826), wk = 0.0021739 k( 284) = ( 0.5000000 0.2570055 0.2267826), wk = 0.0021739 k( 285) = ( 0.5000000 0.2668904 0.2267826), wk = 0.0021739 k( 286) = ( 0.5000000 0.2767752 0.2267826), wk = 0.0021739 k( 287) = ( 0.5000000 0.2866600 0.2267826), wk = 0.0021739 k( 288) = ( 0.5000000 0.2965448 0.2267826), wk = 0.0021739 k( 289) = ( 0.5000000 0.3064297 0.2267826), wk = 0.0021739 k( 290) = ( 0.5000000 0.3163145 0.2267826), wk = 0.0021739 k( 291) = ( 0.5000000 0.3261993 0.2267826), wk = 0.0021739 k( 292) = ( 0.5000000 0.3360842 0.2267826), wk = 0.0021739 k( 293) = ( 0.5000000 0.3459690 0.2267826), wk = 0.0021739 k( 294) = ( 0.5000000 0.3558538 0.2267826), wk = 0.0021739 k( 295) = ( 0.5000000 0.3657386 0.2267826), wk = 0.0021739 k( 296) = ( 0.5000000 0.3756235 0.2267826), wk = 0.0021739 k( 297) = ( 0.5000000 0.3855083 0.2267826), wk = 0.0021739 k( 298) = ( 0.5000000 0.3855083 0.2267826), wk = 0.0021739 k( 299) = ( 0.4900000 0.3855083 0.2267826), wk = 0.0021739 k( 300) = ( 0.4800000 0.3855083 0.2267826), wk = 0.0021739 k( 301) = ( 0.4700000 0.3855083 0.2267826), wk = 0.0021739 k( 302) = ( 0.4600000 0.3855083 0.2267826), wk = 0.0021739 k( 303) = ( 0.4500000 0.3855083 0.2267826), wk = 0.0021739 k( 304) = ( 0.4400000 0.3855083 0.2267826), wk = 0.0021739 k( 305) = ( 0.4300000 0.3855083 0.2267826), wk = 0.0021739 k( 306) = ( 0.4200000 0.3855083 0.2267826), wk = 0.0021739 k( 307) = ( 0.4100000 0.3855083 0.2267826), wk = 0.0021739 k( 308) = ( 0.4000000 0.3855083 0.2267826), wk = 0.0021739 k( 309) = ( 0.3900000 0.3855083 0.2267826), wk = 0.0021739 k( 310) = ( 0.3800000 0.3855083 0.2267826), wk = 0.0021739 k( 311) = ( 0.3700000 0.3855083 0.2267826), wk = 0.0021739 k( 312) = ( 0.3600000 0.3855083 0.2267826), wk = 0.0021739 k( 313) = ( 0.3500000 0.3855083 0.2267826), wk = 0.0021739 k( 314) = ( 0.3400000 0.3855083 0.2267826), wk = 0.0021739 k( 315) = ( 0.3300000 0.3855083 0.2267826), wk = 0.0021739 k( 316) = ( 0.3200000 0.3855083 0.2267826), wk = 0.0021739 k( 317) = ( 0.3100000 0.3855083 0.2267826), wk = 0.0021739 k( 318) = ( 0.3000000 0.3855083 0.2267826), wk = 0.0021739 k( 319) = ( 0.2900000 0.3855083 0.2267826), wk = 0.0021739 k( 320) = ( 0.2800000 0.3855083 0.2267826), wk = 0.0021739 k( 321) = ( 0.2700000 0.3855083 0.2267826), wk = 0.0021739 k( 322) = ( 0.2600000 0.3855083 0.2267826), wk = 0.0021739 k( 323) = ( 0.2500000 0.3855083 0.2267826), wk = 0.0021739 k( 324) = ( 0.2400000 0.3855083 0.2267826), wk = 0.0021739 k( 325) = ( 0.2300000 0.3855083 0.2267826), wk = 0.0021739 k( 326) = ( 0.2200000 0.3855083 0.2267826), wk = 0.0021739 k( 327) = ( 0.2100000 0.3855083 0.2267826), wk = 0.0021739 k( 328) = ( 0.2000000 0.3855083 0.2267826), wk = 0.0021739 k( 329) = ( 0.1900000 0.3855083 0.2267826), wk = 0.0021739 k( 330) = ( 0.1800000 0.3855083 0.2267826), wk = 0.0021739 k( 331) = ( 0.1700000 0.3855083 0.2267826), wk = 0.0021739 k( 332) = ( 0.1600000 0.3855083 0.2267826), wk = 0.0021739 k( 333) = ( 0.1500000 0.3855083 0.2267826), wk = 0.0021739 k( 334) = ( 0.1400000 0.3855083 0.2267826), wk = 0.0021739 k( 335) = ( 0.1300000 0.3855083 0.2267826), wk = 0.0021739 k( 336) = ( 0.1200000 0.3855083 0.2267826), wk = 0.0021739 k( 337) = ( 0.1100000 0.3855083 0.2267826), wk = 0.0021739 k( 338) = ( 0.1000000 0.3855083 0.2267826), wk = 0.0021739 k( 339) = ( 0.0900000 0.3855083 0.2267826), wk = 0.0021739 k( 340) = ( 0.0800000 0.3855083 0.2267826), wk = 0.0021739 k( 341) = ( 0.0700000 0.3855083 0.2267826), wk = 0.0021739 k( 342) = ( 0.0600000 0.3855083 0.2267826), wk = 0.0021739 k( 343) = ( 0.0500000 0.3855083 0.2267826), wk = 0.0021739 k( 344) = ( 0.0400000 0.3855083 0.2267826), wk = 0.0021739 k( 345) = ( 0.0300000 0.3855083 0.2267826), wk = 0.0021739 k( 346) = ( 0.0200000 0.3855083 0.2267826), wk = 0.0021739 k( 347) = ( 0.0100000 0.3855083 0.2267826), wk = 0.0021739 k( 348) = ( 0.0000000 0.3855083 0.2267826), wk = 0.0021739 k( 349) = ( 0.0000000 0.3855083 0.2267826), wk = 0.0021739 k( 350) = ( 0.0000000 0.3756235 0.2267826), wk = 0.0021739 k( 351) = ( 0.0000000 0.3657386 0.2267826), wk = 0.0021739 k( 352) = ( 0.0000000 0.3558538 0.2267826), wk = 0.0021739 k( 353) = ( 0.0000000 0.3459690 0.2267826), wk = 0.0021739 k( 354) = ( 0.0000000 0.3360842 0.2267826), wk = 0.0021739 k( 355) = ( 0.0000000 0.3261993 0.2267826), wk = 0.0021739 k( 356) = ( 0.0000000 0.3163145 0.2267826), wk = 0.0021739 k( 357) = ( 0.0000000 0.3064297 0.2267826), wk = 0.0021739 k( 358) = ( 0.0000000 0.2965448 0.2267826), wk = 0.0021739 k( 359) = ( 0.0000000 0.2866600 0.2267826), wk = 0.0021739 k( 360) = ( 0.0000000 0.2767752 0.2267826), wk = 0.0021739 k( 361) = ( 0.0000000 0.2668904 0.2267826), wk = 0.0021739 k( 362) = ( 0.0000000 0.2570055 0.2267826), wk = 0.0021739 k( 363) = ( 0.0000000 0.2471207 0.2267826), wk = 0.0021739 k( 364) = ( 0.0000000 0.2372359 0.2267826), wk = 0.0021739 k( 365) = ( 0.0000000 0.2273511 0.2267826), wk = 0.0021739 k( 366) = ( 0.0000000 0.2174662 0.2267826), wk = 0.0021739 k( 367) = ( 0.0000000 0.2075814 0.2267826), wk = 0.0021739 k( 368) = ( 0.0000000 0.1976966 0.2267826), wk = 0.0021739 k( 369) = ( 0.0000000 0.1878117 0.2267826), wk = 0.0021739 k( 370) = ( 0.0000000 0.1779269 0.2267826), wk = 0.0021739 k( 371) = ( 0.0000000 0.1680421 0.2267826), wk = 0.0021739 k( 372) = ( 0.0000000 0.1581573 0.2267826), wk = 0.0021739 k( 373) = ( 0.0000000 0.1482724 0.2267826), wk = 0.0021739 k( 374) = ( 0.0000000 0.1383876 0.2267826), wk = 0.0021739 k( 375) = ( 0.0000000 0.1285028 0.2267826), wk = 0.0021739 k( 376) = ( 0.0000000 0.1186179 0.2267826), wk = 0.0021739 k( 377) = ( 0.0000000 0.1087331 0.2267826), wk = 0.0021739 k( 378) = ( 0.0000000 0.0988483 0.2267826), wk = 0.0021739 k( 379) = ( 0.0000000 0.0889635 0.2267826), wk = 0.0021739 k( 380) = ( 0.0000000 0.0790786 0.2267826), wk = 0.0021739 k( 381) = ( 0.0000000 0.0691938 0.2267826), wk = 0.0021739 k( 382) = ( 0.0000000 0.0593090 0.2267826), wk = 0.0021739 k( 383) = ( 0.0000000 0.0494241 0.2267826), wk = 0.0021739 k( 384) = ( 0.0000000 0.0395393 0.2267826), wk = 0.0021739 k( 385) = ( 0.0000000 0.0296545 0.2267826), wk = 0.0021739 k( 386) = ( 0.0000000 0.0197697 0.2267826), wk = 0.0021739 k( 387) = ( 0.0000000 0.0098848 0.2267826), wk = 0.0021739 k( 388) = ( 0.0000000 0.0000000 0.2267826), wk = 0.0021739 k( 389) = ( 0.0000000 0.3855083 -0.0000000), wk = 0.0021739 k( 390) = ( 0.0000000 0.3855083 0.0098601), wk = 0.0021739 k( 391) = ( 0.0000000 0.3855083 0.0197202), wk = 0.0021739 k( 392) = ( 0.0000000 0.3855083 0.0295803), wk = 0.0021739 k( 393) = ( 0.0000000 0.3855083 0.0394405), wk = 0.0021739 k( 394) = ( 0.0000000 0.3855083 0.0493006), wk = 0.0021739 k( 395) = ( 0.0000000 0.3855083 0.0591607), wk = 0.0021739 k( 396) = ( 0.0000000 0.3855083 0.0690208), wk = 0.0021739 k( 397) = ( 0.0000000 0.3855083 0.0788809), wk = 0.0021739 k( 398) = ( 0.0000000 0.3855083 0.0887410), wk = 0.0021739 k( 399) = ( 0.0000000 0.3855083 0.0986011), wk = 0.0021739 k( 400) = ( 0.0000000 0.3855083 0.1084613), wk = 0.0021739 k( 401) = ( 0.0000000 0.3855083 0.1183214), wk = 0.0021739 k( 402) = ( 0.0000000 0.3855083 0.1281815), wk = 0.0021739 k( 403) = ( 0.0000000 0.3855083 0.1380416), wk = 0.0021739 k( 404) = ( 0.0000000 0.3855083 0.1479017), wk = 0.0021739 k( 405) = ( 0.0000000 0.3855083 0.1577618), wk = 0.0021739 k( 406) = ( 0.0000000 0.3855083 0.1676219), wk = 0.0021739 k( 407) = ( 0.0000000 0.3855083 0.1774821), wk = 0.0021739 k( 408) = ( 0.0000000 0.3855083 0.1873422), wk = 0.0021739 k( 409) = ( 0.0000000 0.3855083 0.1972023), wk = 0.0021739 k( 410) = ( 0.0000000 0.3855083 0.2070624), wk = 0.0021739 k( 411) = ( 0.0000000 0.3855083 0.2169225), wk = 0.0021739 k( 412) = ( 0.0000000 0.3855083 0.2267826), wk = 0.0021739 k( 413) = ( 0.5000000 -0.0000000 0.2267826), wk = 0.0021739 k( 414) = ( 0.5000000 -0.0000000 0.2169225), wk = 0.0021739 k( 415) = ( 0.5000000 -0.0000000 0.2070624), wk = 0.0021739 k( 416) = ( 0.5000000 -0.0000000 0.1972023), wk = 0.0021739 k( 417) = ( 0.5000000 -0.0000000 0.1873422), wk = 0.0021739 k( 418) = ( 0.5000000 -0.0000000 0.1774821), wk = 0.0021739 k( 419) = ( 0.5000000 -0.0000000 0.1676219), wk = 0.0021739 k( 420) = ( 0.5000000 -0.0000000 0.1577618), wk = 0.0021739 k( 421) = ( 0.5000000 -0.0000000 0.1479017), wk = 0.0021739 k( 422) = ( 0.5000000 -0.0000000 0.1380416), wk = 0.0021739 k( 423) = ( 0.5000000 -0.0000000 0.1281815), wk = 0.0021739 k( 424) = ( 0.5000000 -0.0000000 0.1183214), wk = 0.0021739 k( 425) = ( 0.5000000 -0.0000000 0.1084613), wk = 0.0021739 k( 426) = ( 0.5000000 -0.0000000 0.0986011), wk = 0.0021739 k( 427) = ( 0.5000000 -0.0000000 0.0887410), wk = 0.0021739 k( 428) = ( 0.5000000 -0.0000000 0.0788809), wk = 0.0021739 k( 429) = ( 0.5000000 -0.0000000 0.0690208), wk = 0.0021739 k( 430) = ( 0.5000000 -0.0000000 0.0591607), wk = 0.0021739 k( 431) = ( 0.5000000 -0.0000000 0.0493006), wk = 0.0021739 k( 432) = ( 0.5000000 -0.0000000 0.0394405), wk = 0.0021739 k( 433) = ( 0.5000000 -0.0000000 0.0295803), wk = 0.0021739 k( 434) = ( 0.5000000 -0.0000000 0.0197202), wk = 0.0021739 k( 435) = ( 0.5000000 -0.0000000 0.0098601), wk = 0.0021739 k( 436) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021739 k( 437) = ( 0.5000000 0.3855083 -0.0000000), wk = 0.0021739 k( 438) = ( 0.5000000 0.3855083 0.0098601), wk = 0.0021739 k( 439) = ( 0.5000000 0.3855083 0.0197202), wk = 0.0021739 k( 440) = ( 0.5000000 0.3855083 0.0295803), wk = 0.0021739 k( 441) = ( 0.5000000 0.3855083 0.0394405), wk = 0.0021739 k( 442) = ( 0.5000000 0.3855083 0.0493006), wk = 0.0021739 k( 443) = ( 0.5000000 0.3855083 0.0591607), wk = 0.0021739 k( 444) = ( 0.5000000 0.3855083 0.0690208), wk = 0.0021739 k( 445) = ( 0.5000000 0.3855083 0.0788809), wk = 0.0021739 k( 446) = ( 0.5000000 0.3855083 0.0887410), wk = 0.0021739 k( 447) = ( 0.5000000 0.3855083 0.0986011), wk = 0.0021739 k( 448) = ( 0.5000000 0.3855083 0.1084613), wk = 0.0021739 k( 449) = ( 0.5000000 0.3855083 0.1183214), wk = 0.0021739 k( 450) = ( 0.5000000 0.3855083 0.1281815), wk = 0.0021739 k( 451) = ( 0.5000000 0.3855083 0.1380416), wk = 0.0021739 k( 452) = ( 0.5000000 0.3855083 0.1479017), wk = 0.0021739 k( 453) = ( 0.5000000 0.3855083 0.1577618), wk = 0.0021739 k( 454) = ( 0.5000000 0.3855083 0.1676219), wk = 0.0021739 k( 455) = ( 0.5000000 0.3855083 0.1774821), wk = 0.0021739 k( 456) = ( 0.5000000 0.3855083 0.1873422), wk = 0.0021739 k( 457) = ( 0.5000000 0.3855083 0.1972023), wk = 0.0021739 k( 458) = ( 0.5000000 0.3855083 0.2070624), wk = 0.0021739 k( 459) = ( 0.5000000 0.3855083 0.2169225), wk = 0.0021739 k( 460) = ( 0.5000000 0.3855083 0.2267826), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0021739 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0021739 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0021739 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0021739 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0021739 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0021739 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0021739 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0021739 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0021739 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0021739 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0021739 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0021739 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0021739 k( 18) = ( 0.1700000 -0.0000000 0.0000000), wk = 0.0021739 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0021739 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0021739 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0021739 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0021739 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0021739 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0021739 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021739 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0021739 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0021739 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0021739 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0021739 k( 34) = ( 0.3300000 0.0000000 0.0000000), wk = 0.0021739 k( 35) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0021739 k( 36) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0021739 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0021739 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0021739 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0021739 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0021739 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0021739 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0021739 k( 44) = ( 0.4300000 0.0000000 0.0000000), wk = 0.0021739 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0021739 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0021739 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0021739 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0021739 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0021739 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 53) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0021739 k( 54) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0021739 k( 55) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0021739 k( 56) = ( 0.5000000 0.0512821 0.0000000), wk = 0.0021739 k( 57) = ( 0.5000000 0.0641026 0.0000000), wk = 0.0021739 k( 58) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0021739 k( 59) = ( 0.5000000 0.0897436 -0.0000000), wk = 0.0021739 k( 60) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0021739 k( 61) = ( 0.5000000 0.1153846 -0.0000000), wk = 0.0021739 k( 62) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0021739 k( 63) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0021739 k( 66) = ( 0.5000000 0.1794872 0.0000000), wk = 0.0021739 k( 67) = ( 0.5000000 0.1923077 -0.0000000), wk = 0.0021739 k( 68) = ( 0.5000000 0.2051282 0.0000000), wk = 0.0021739 k( 69) = ( 0.5000000 0.2179487 0.0000000), wk = 0.0021739 k( 70) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0021739 k( 71) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0021739 k( 72) = ( 0.5000000 0.2564103 0.0000000), wk = 0.0021739 k( 73) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0021739 k( 74) = ( 0.5000000 0.2820513 -0.0000000), wk = 0.0021739 k( 75) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0021739 k( 76) = ( 0.5000000 0.3076923 -0.0000000), wk = 0.0021739 k( 77) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0021739 k( 78) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0021739 k( 79) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0021739 k( 80) = ( 0.5000000 0.3589744 -0.0000000), wk = 0.0021739 k( 81) = ( 0.5000000 0.3717949 0.0000000), wk = 0.0021739 k( 82) = ( 0.5000000 0.3846154 -0.0000000), wk = 0.0021739 k( 83) = ( 0.5000000 0.3974359 -0.0000000), wk = 0.0021739 k( 84) = ( 0.5000000 0.4102564 -0.0000000), wk = 0.0021739 k( 85) = ( 0.5000000 0.4230769 -0.0000000), wk = 0.0021739 k( 86) = ( 0.5000000 0.4358974 0.0000000), wk = 0.0021739 k( 87) = ( 0.5000000 0.4487179 0.0000000), wk = 0.0021739 k( 88) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0021739 k( 89) = ( 0.5000000 0.4743590 0.0000000), wk = 0.0021739 k( 90) = ( 0.5000000 0.4871795 0.0000000), wk = 0.0021739 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 93) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0021739 k( 94) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0021739 k( 95) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0021739 k( 96) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0021739 k( 97) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0021739 k( 98) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0021739 k( 99) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0021739 k( 100) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0021739 k( 101) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0021739 k( 102) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0021739 k( 103) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0021739 k( 106) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0021739 k( 109) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0021739 k( 111) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0021739 k( 112) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0021739 k( 117) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0021739 k( 120) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0021739 k( 121) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0021739 k( 122) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0021739 k( 123) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0021739 k( 124) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0021739 k( 125) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0021739 k( 126) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0021739 k( 127) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0021739 k( 128) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0021739 k( 129) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0021739 k( 130) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0021739 k( 131) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0021739 k( 132) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0021739 k( 133) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0021739 k( 134) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0021739 k( 135) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0021739 k( 136) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0021739 k( 137) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0021739 k( 138) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0021739 k( 139) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0021739 k( 140) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0021739 k( 141) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0021739 k( 142) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 143) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 144) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0021739 k( 145) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0021739 k( 146) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0021739 k( 147) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0021739 k( 148) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0021739 k( 149) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0021739 k( 150) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0021739 k( 151) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0021739 k( 152) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0021739 k( 153) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0021739 k( 154) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0021739 k( 162) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0021739 k( 163) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0021739 k( 167) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0021739 k( 173) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0021739 k( 174) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0021739 k( 175) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0021739 k( 177) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0021739 k( 178) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0021739 k( 179) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0021739 k( 180) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0021739 k( 181) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 208) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0021739 k( 209) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0021739 k( 210) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0021739 k( 211) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0021739 k( 212) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0021739 k( 250) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0021739 k( 251) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0021739 k( 252) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0021739 k( 253) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0021739 k( 254) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0021739 k( 255) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0021739 k( 256) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0021739 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 259) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0021739 k( 260) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0021739 k( 261) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0021739 k( 262) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0021739 k( 263) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0021739 k( 264) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0021739 k( 265) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0021739 k( 266) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0021739 k( 267) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0021739 k( 268) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0021739 k( 269) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0021739 k( 270) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0021739 k( 271) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0021739 k( 272) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0021739 k( 273) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0021739 k( 274) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0021739 k( 275) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0021739 k( 276) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0021739 k( 277) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0021739 k( 278) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0021739 k( 279) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0021739 k( 280) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0021739 k( 281) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0021739 k( 282) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0021739 k( 283) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0021739 k( 284) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0021739 k( 285) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0021739 k( 286) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0021739 k( 287) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0021739 k( 288) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0021739 k( 289) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0021739 k( 290) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0021739 k( 291) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0021739 k( 292) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0021739 k( 293) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0021739 k( 294) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0021739 k( 295) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0021739 k( 296) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0021739 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 299) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0021739 k( 300) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0021739 k( 301) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0021739 k( 302) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0021739 k( 303) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0021739 k( 304) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0021739 k( 305) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0021739 k( 306) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0021739 k( 307) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0021739 k( 308) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0021739 k( 309) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0021739 k( 310) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0021739 k( 311) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0021739 k( 312) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0021739 k( 313) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0021739 k( 314) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0021739 k( 315) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0021739 k( 316) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0021739 k( 317) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0021739 k( 318) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0021739 k( 319) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0021739 k( 320) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0021739 k( 321) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0021739 k( 322) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0021739 k( 323) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0021739 k( 324) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0021739 k( 325) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0021739 k( 326) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0021739 k( 327) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0021739 k( 328) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0021739 k( 329) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0021739 k( 330) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0021739 k( 331) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0021739 k( 332) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0021739 k( 333) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0021739 k( 334) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0021739 k( 335) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0021739 k( 336) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0021739 k( 337) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0021739 k( 338) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0021739 k( 339) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0021739 k( 340) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0021739 k( 341) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0021739 k( 342) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0021739 k( 343) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0021739 k( 344) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0021739 k( 345) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0021739 k( 346) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0021739 k( 347) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0021739 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 349) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 350) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0021739 k( 351) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0021739 k( 352) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0021739 k( 353) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0021739 k( 354) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0021739 k( 355) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0021739 k( 356) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0021739 k( 357) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0021739 k( 358) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0021739 k( 359) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0021739 k( 360) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0021739 k( 361) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0021739 k( 362) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021739 k( 363) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0021739 k( 364) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0021739 k( 365) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0021739 k( 366) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0021739 k( 367) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0021739 k( 368) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0021739 k( 369) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0021739 k( 370) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0021739 k( 371) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0021739 k( 372) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0021739 k( 373) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0021739 k( 374) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0021739 k( 375) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021739 k( 376) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0021739 k( 377) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0021739 k( 378) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0021739 k( 379) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0021739 k( 380) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0021739 k( 381) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0021739 k( 382) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0021739 k( 383) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0021739 k( 384) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0021739 k( 385) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0021739 k( 386) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0021739 k( 387) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0021739 k( 388) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 389) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 390) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0021739 k( 391) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0021739 k( 392) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0021739 k( 393) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0021739 k( 394) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0021739 k( 395) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0021739 k( 396) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0021739 k( 397) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0021739 k( 398) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0021739 k( 399) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0021739 k( 400) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0021739 k( 401) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0021739 k( 402) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0021739 k( 403) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0021739 k( 404) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0021739 k( 405) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0021739 k( 406) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0021739 k( 407) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0021739 k( 408) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0021739 k( 409) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0021739 k( 410) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0021739 k( 411) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0021739 k( 412) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 413) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 414) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0021739 k( 415) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0021739 k( 416) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0021739 k( 417) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0021739 k( 418) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0021739 k( 419) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0021739 k( 420) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0021739 k( 421) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0021739 k( 422) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0021739 k( 423) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0021739 k( 424) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0021739 k( 425) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0021739 k( 426) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0021739 k( 427) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0021739 k( 428) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0021739 k( 429) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0021739 k( 430) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0021739 k( 431) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0021739 k( 432) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0021739 k( 433) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0021739 k( 434) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0021739 k( 435) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0021739 k( 436) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 437) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 438) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0021739 k( 439) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0021739 k( 440) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0021739 k( 441) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0021739 k( 442) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0021739 k( 443) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0021739 k( 444) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0021739 k( 445) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0021739 k( 446) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0021739 k( 447) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0021739 k( 448) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0021739 k( 449) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0021739 k( 450) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0021739 k( 451) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0021739 k( 452) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0021739 k( 453) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0021739 k( 454) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0021739 k( 455) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0021739 k( 456) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0021739 k( 457) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0021739 k( 458) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0021739 k( 459) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0021739 k( 460) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 37345 G-vectors FFT dimensions: ( 30, 40, 72) Smooth grid: 25485 G-vectors FFT dimensions: ( 25, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 198, 42) NL pseudopotentials 0.21 Mb ( 99, 136) Each V/rho on FFT grid 0.04 Mb ( 2400) Each G-vector array 0.01 Mb ( 1042) G-vector shells 0.00 Mb ( 533) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 198, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./CuTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.2 secs Computing kpt #: 23 total cpu time spent up to now is 7.4 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.4 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.5 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.4 secs Computing kpt #: 37 total cpu time spent up to now is 10.6 secs Computing kpt #: 38 total cpu time spent up to now is 10.9 secs Computing kpt #: 39 total cpu time spent up to now is 11.1 secs Computing kpt #: 40 total cpu time spent up to now is 11.3 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.8 secs Computing kpt #: 43 total cpu time spent up to now is 12.0 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.5 secs Computing kpt #: 46 total cpu time spent up to now is 12.7 secs Computing kpt #: 47 total cpu time spent up to now is 13.0 secs Computing kpt #: 48 total cpu time spent up to now is 13.2 secs Computing kpt #: 49 total cpu time spent up to now is 13.5 secs Computing kpt #: 50 total cpu time spent up to now is 13.7 secs Computing kpt #: 51 total cpu time spent up to now is 14.0 secs Computing kpt #: 52 total cpu time spent up to now is 14.2 secs Computing kpt #: 53 total cpu time spent up to now is 14.5 secs Computing kpt #: 54 total cpu time spent up to now is 14.9 secs Computing kpt #: 55 total cpu time spent up to now is 15.2 secs Computing kpt #: 56 total cpu time spent up to now is 15.5 secs Computing kpt #: 57 total cpu time spent up to now is 15.8 secs Computing kpt #: 58 total cpu time spent up to now is 16.1 secs Computing kpt #: 59 total cpu time spent up to now is 16.4 secs Computing kpt #: 60 total cpu time spent up to now is 16.7 secs Computing kpt #: 61 total cpu time spent up to now is 17.1 secs Computing kpt #: 62 total cpu time spent up to now is 17.4 secs Computing kpt #: 63 total cpu time spent up to now is 17.7 secs Computing kpt #: 64 total cpu time spent up to now is 18.0 secs Computing kpt #: 65 total cpu time spent up to now is 18.3 secs Computing kpt #: 66 total cpu time spent up to now is 18.6 secs Computing kpt #: 67 total cpu time spent up to now is 18.9 secs Computing kpt #: 68 total cpu time spent up to now is 19.1 secs Computing kpt #: 69 total cpu time spent up to now is 19.4 secs Computing kpt #: 70 total cpu time spent up to now is 19.7 secs Computing kpt #: 71 total cpu time spent up to now is 20.0 secs Computing kpt #: 72 total cpu time spent up to now is 20.3 secs Computing kpt #: 73 total cpu time spent up to now is 20.5 secs Computing kpt #: 74 total cpu time spent up to now is 20.8 secs Computing kpt #: 75 total cpu time spent up to now is 21.1 secs Computing kpt #: 76 total cpu time spent up to now is 21.4 secs Computing kpt #: 77 total cpu time spent up to now is 21.6 secs Computing kpt #: 78 total cpu time spent up to now is 21.9 secs Computing kpt #: 79 total cpu time spent up to now is 22.2 secs Computing kpt #: 80 total cpu time spent up to now is 22.5 secs Computing kpt #: 81 total cpu time spent up to now is 22.8 secs Computing kpt #: 82 total cpu time spent up to now is 23.0 secs Computing kpt #: 83 total cpu time spent up to now is 23.3 secs Computing kpt #: 84 total cpu time spent up to now is 23.6 secs Computing kpt #: 85 total cpu time spent up to now is 23.9 secs Computing kpt #: 86 total cpu time spent up to now is 24.2 secs Computing kpt #: 87 total cpu time spent up to now is 24.4 secs Computing kpt #: 88 total cpu time spent up to now is 24.7 secs Computing kpt #: 89 total cpu time spent up to now is 25.0 secs Computing kpt #: 90 total cpu time spent up to now is 25.3 secs Computing kpt #: 91 total cpu time spent up to now is 25.5 secs Computing kpt #: 92 total cpu time spent up to now is 25.8 secs Computing kpt #: 93 total cpu time spent up to now is 26.1 secs Computing kpt #: 94 total cpu time spent up to now is 26.4 secs Computing kpt #: 95 total cpu time spent up to now is 26.7 secs Computing kpt #: 96 total cpu time spent up to now is 27.0 secs Computing kpt #: 97 total cpu time spent up to now is 27.2 secs Computing kpt #: 98 total cpu time spent up to now is 27.5 secs Computing kpt #: 99 total cpu time spent up to now is 27.8 secs Computing kpt #: 100 total cpu time spent up to now is 28.1 secs Computing kpt #: 101 total cpu time spent up to now is 28.4 secs Computing kpt #: 102 total cpu time spent up to now is 28.7 secs Computing kpt #: 103 total cpu time spent up to now is 29.0 secs Computing kpt #: 104 total cpu time spent up to now is 29.3 secs Computing kpt #: 105 total cpu time spent up to now is 29.6 secs Computing kpt #: 106 total cpu time spent up to now is 29.9 secs Computing kpt #: 107 total cpu time spent up to now is 30.2 secs Computing kpt #: 108 total cpu time spent up to now is 30.4 secs Computing kpt #: 109 total cpu time spent up to now is 30.7 secs Computing kpt #: 110 total cpu time spent up to now is 31.0 secs Computing kpt #: 111 total cpu time spent up to now is 31.3 secs Computing kpt #: 112 total cpu time spent up to now is 31.6 secs Computing kpt #: 113 total cpu time spent up to now is 31.8 secs Computing kpt #: 114 total cpu time spent up to now is 32.1 secs Computing kpt #: 115 total cpu time spent up to now is 32.4 secs Computing kpt #: 116 total cpu time spent up to now is 32.7 secs Computing kpt #: 117 total cpu time spent up to now is 33.0 secs Computing kpt #: 118 total cpu time spent up to now is 33.3 secs Computing kpt #: 119 total cpu time spent up to now is 33.5 secs Computing kpt #: 120 total cpu time spent up to now is 33.8 secs Computing kpt #: 121 total cpu time spent up to now is 34.1 secs Computing kpt #: 122 total cpu time spent up to now is 34.4 secs Computing kpt #: 123 total cpu time spent up to now is 34.7 secs Computing kpt #: 124 total cpu time spent up to now is 35.0 secs Computing kpt #: 125 total cpu time spent up to now is 35.3 secs Computing kpt #: 126 total cpu time spent up to now is 35.6 secs Computing kpt #: 127 total cpu time spent up to now is 35.9 secs Computing kpt #: 128 total cpu time spent up to now is 36.3 secs Computing kpt #: 129 total cpu time spent up to now is 36.6 secs Computing kpt #: 130 total cpu time spent up to now is 36.9 secs Computing kpt #: 131 total cpu time spent up to now is 37.4 secs Computing kpt #: 132 total cpu time spent up to now is 37.7 secs Computing kpt #: 133 total cpu time spent up to now is 38.0 secs Computing kpt #: 134 total cpu time spent up to now is 38.3 secs Computing kpt #: 135 total cpu time spent up to now is 38.6 secs Computing kpt #: 136 total cpu time spent up to now is 38.9 secs Computing kpt #: 137 total cpu time spent up to now is 39.2 secs Computing kpt #: 138 total cpu time spent up to now is 39.5 secs Computing kpt #: 139 total cpu time spent up to now is 39.8 secs Computing kpt #: 140 total cpu time spent up to now is 40.1 secs Computing kpt #: 141 total cpu time spent up to now is 40.4 secs Computing kpt #: 142 total cpu time spent up to now is 40.7 secs Computing kpt #: 143 total cpu time spent up to now is 40.9 secs Computing kpt #: 144 total cpu time spent up to now is 41.2 secs Computing kpt #: 145 total cpu time spent up to now is 41.4 secs Computing kpt #: 146 total cpu time spent up to now is 41.7 secs Computing kpt #: 147 total cpu time spent up to now is 41.9 secs Computing kpt #: 148 total cpu time spent up to now is 42.2 secs Computing kpt #: 149 total cpu time spent up to now is 42.4 secs Computing kpt #: 150 total cpu time spent up to now is 42.7 secs Computing kpt #: 151 total cpu time spent up to now is 42.9 secs Computing kpt #: 152 total cpu time spent up to now is 43.2 secs Computing kpt #: 153 total cpu time spent up to now is 43.4 secs Computing kpt #: 154 total cpu time spent up to now is 43.7 secs Computing kpt #: 155 total cpu time spent up to now is 43.9 secs Computing kpt #: 156 total cpu time spent up to now is 44.2 secs Computing kpt #: 157 total cpu time spent up to now is 44.5 secs Computing kpt #: 158 total cpu time spent up to now is 44.8 secs Computing kpt #: 159 total cpu time spent up to now is 45.1 secs Computing kpt #: 160 total cpu time spent up to now is 45.4 secs Computing kpt #: 161 total cpu time spent up to now is 45.6 secs Computing kpt #: 162 total cpu time spent up to now is 45.9 secs Computing kpt #: 163 total cpu time spent up to now is 46.1 secs Computing kpt #: 164 total cpu time spent up to now is 46.4 secs Computing kpt #: 165 total cpu time spent up to now is 46.6 secs Computing kpt #: 166 total cpu time spent up to now is 46.8 secs Computing kpt #: 167 total cpu time spent up to now is 47.1 secs Computing kpt #: 168 total cpu time spent up to now is 47.3 secs Computing kpt #: 169 total cpu time spent up to now is 47.6 secs Computing kpt #: 170 total cpu time spent up to now is 47.8 secs Computing kpt #: 171 total cpu time spent up to now is 48.0 secs Computing kpt #: 172 total cpu time spent up to now is 48.3 secs Computing kpt #: 173 total cpu time spent up to now is 48.5 secs Computing kpt #: 174 total cpu time spent up to now is 48.7 secs Computing kpt #: 175 total cpu time spent up to now is 49.0 secs Computing kpt #: 176 total cpu time spent up to now is 49.2 secs Computing kpt #: 177 total cpu time spent up to now is 49.4 secs Computing kpt #: 178 total cpu time spent up to now is 49.7 secs Computing kpt #: 179 total cpu time spent up to now is 49.9 secs Computing kpt #: 180 total cpu time spent up to now is 50.1 secs Computing kpt #: 181 total cpu time spent up to now is 50.4 secs Computing kpt #: 182 total cpu time spent up to now is 50.6 secs Computing kpt #: 183 total cpu time spent up to now is 50.8 secs Computing kpt #: 184 total cpu time spent up to now is 51.0 secs Computing kpt #: 185 total cpu time spent up to now is 51.3 secs Computing kpt #: 186 total cpu time spent up to now is 51.5 secs Computing kpt #: 187 total cpu time spent up to now is 51.8 secs Computing kpt #: 188 total cpu time spent up to now is 52.0 secs Computing kpt #: 189 total cpu time spent up to now is 52.2 secs Computing kpt #: 190 total cpu time spent up to now is 52.5 secs Computing kpt #: 191 total cpu time spent up to now is 52.7 secs Computing kpt #: 192 total cpu time spent up to now is 53.0 secs Computing kpt #: 193 total cpu time spent up to now is 53.2 secs Computing kpt #: 194 total cpu time spent up to now is 53.5 secs Computing kpt #: 195 total cpu time spent up to now is 53.7 secs Computing kpt #: 196 total cpu time spent up to now is 54.0 secs Computing kpt #: 197 total cpu time spent up to now is 54.3 secs Computing kpt #: 198 total cpu time spent up to now is 54.5 secs Computing kpt #: 199 total cpu time spent up to now is 54.8 secs Computing kpt #: 200 total cpu time spent up to now is 55.1 secs Computing kpt #: 201 total cpu time spent up to now is 55.3 secs Computing kpt #: 202 total cpu time spent up to now is 55.6 secs Computing kpt #: 203 total cpu time spent up to now is 55.8 secs Computing kpt #: 204 total cpu time spent up to now is 56.1 secs Computing kpt #: 205 total cpu time spent up to now is 56.3 secs Computing kpt #: 206 total cpu time spent up to now is 56.6 secs Computing kpt #: 207 total cpu time spent up to now is 56.8 secs Computing kpt #: 208 total cpu time spent up to now is 57.1 secs Computing kpt #: 209 total cpu time spent up to now is 57.3 secs Computing kpt #: 210 total cpu time spent up to now is 57.6 secs Computing kpt #: 211 total cpu time spent up to now is 57.8 secs Computing kpt #: 212 total cpu time spent up to now is 58.0 secs Computing kpt #: 213 total cpu time spent up to now is 58.3 secs Computing kpt #: 214 total cpu time spent up to now is 58.5 secs Computing kpt #: 215 total cpu time spent up to now is 58.8 secs Computing kpt #: 216 total cpu time spent up to now is 59.0 secs Computing kpt #: 217 total cpu time spent up to now is 59.2 secs Computing kpt #: 218 total cpu time spent up to now is 59.5 secs Computing kpt #: 219 total cpu time spent up to now is 59.7 secs Computing kpt #: 220 total cpu time spent up to now is 60.0 secs Computing kpt #: 221 total cpu time spent up to now is 60.2 secs Computing kpt #: 222 total cpu time spent up to now is 60.4 secs Computing kpt #: 223 total cpu time spent up to now is 60.7 secs Computing kpt #: 224 total cpu time spent up to now is 60.9 secs Computing kpt #: 225 total cpu time spent up to now is 61.2 secs Computing kpt #: 226 total cpu time spent up to now is 61.4 secs Computing kpt #: 227 total cpu time spent up to now is 61.7 secs Computing kpt #: 228 total cpu time spent up to now is 61.9 secs Computing kpt #: 229 total cpu time spent up to now is 62.2 secs Computing kpt #: 230 total cpu time spent up to now is 62.5 secs Computing kpt #: 231 total cpu time spent up to now is 62.8 secs Computing kpt #: 232 total cpu time spent up to now is 63.0 secs Computing kpt #: 233 total cpu time spent up to now is 63.3 secs Computing kpt #: 234 total cpu time spent up to now is 63.6 secs Computing kpt #: 235 total cpu time spent up to now is 63.8 secs Computing kpt #: 236 total cpu time spent up to now is 64.1 secs Computing kpt #: 237 total cpu time spent up to now is 64.3 secs Computing kpt #: 238 total cpu time spent up to now is 64.6 secs Computing kpt #: 239 total cpu time spent up to now is 64.8 secs Computing kpt #: 240 total cpu time spent up to now is 65.1 secs Computing kpt #: 241 total cpu time spent up to now is 65.3 secs Computing kpt #: 242 total cpu time spent up to now is 65.5 secs Computing kpt #: 243 total cpu time spent up to now is 65.8 secs Computing kpt #: 244 total cpu time spent up to now is 66.0 secs Computing kpt #: 245 total cpu time spent up to now is 66.2 secs Computing kpt #: 246 total cpu time spent up to now is 66.4 secs Computing kpt #: 247 total cpu time spent up to now is 66.7 secs Computing kpt #: 248 total cpu time spent up to now is 66.9 secs Computing kpt #: 249 total cpu time spent up to now is 67.1 secs Computing kpt #: 250 total cpu time spent up to now is 67.4 secs Computing kpt #: 251 total cpu time spent up to now is 67.6 secs Computing kpt #: 252 total cpu time spent up to now is 67.8 secs Computing kpt #: 253 total cpu time spent up to now is 68.1 secs Computing kpt #: 254 total cpu time spent up to now is 68.3 secs Computing kpt #: 255 total cpu time spent up to now is 68.5 secs Computing kpt #: 256 total cpu time spent up to now is 68.8 secs Computing kpt #: 257 total cpu time spent up to now is 69.1 secs Computing kpt #: 258 total cpu time spent up to now is 69.3 secs Computing kpt #: 259 total cpu time spent up to now is 69.6 secs Computing kpt #: 260 total cpu time spent up to now is 70.1 secs Computing kpt #: 261 total cpu time spent up to now is 70.5 secs Computing kpt #: 262 total cpu time spent up to now is 71.0 secs Computing kpt #: 263 total cpu time spent up to now is 71.4 secs Computing kpt #: 264 total cpu time spent up to now is 71.9 secs Computing kpt #: 265 total cpu time spent up to now is 72.5 secs Computing kpt #: 266 total cpu time spent up to now is 72.8 secs Computing kpt #: 267 total cpu time spent up to now is 73.1 secs Computing kpt #: 268 total cpu time spent up to now is 73.4 secs Computing kpt #: 269 total cpu time spent up to now is 73.8 secs Computing kpt #: 270 total cpu time spent up to now is 74.0 secs Computing kpt #: 271 total cpu time spent up to now is 74.3 secs Computing kpt #: 272 total cpu time spent up to now is 74.6 secs Computing kpt #: 273 total cpu time spent up to now is 74.9 secs Computing kpt #: 274 total cpu time spent up to now is 75.1 secs Computing kpt #: 275 total cpu time spent up to now is 75.4 secs Computing kpt #: 276 total cpu time spent up to now is 75.6 secs Computing kpt #: 277 total cpu time spent up to now is 75.9 secs Computing kpt #: 278 total cpu time spent up to now is 76.1 secs Computing kpt #: 279 total cpu time spent up to now is 76.4 secs Computing kpt #: 280 total cpu time spent up to now is 76.7 secs Computing kpt #: 281 total cpu time spent up to now is 76.9 secs Computing kpt #: 282 total cpu time spent up to now is 77.2 secs Computing kpt #: 283 total cpu time spent up to now is 77.4 secs Computing kpt #: 284 total cpu time spent up to now is 77.7 secs Computing kpt #: 285 total cpu time spent up to now is 77.9 secs Computing kpt #: 286 total cpu time spent up to now is 78.2 secs Computing kpt #: 287 total cpu time spent up to now is 78.5 secs Computing kpt #: 288 total cpu time spent up to now is 78.7 secs Computing kpt #: 289 total cpu time spent up to now is 79.0 secs Computing kpt #: 290 total cpu time spent up to now is 79.2 secs Computing kpt #: 291 total cpu time spent up to now is 79.5 secs Computing kpt #: 292 total cpu time spent up to now is 79.8 secs Computing kpt #: 293 total cpu time spent up to now is 80.0 secs Computing kpt #: 294 total cpu time spent up to now is 80.3 secs Computing kpt #: 295 total cpu time spent up to now is 80.6 secs Computing kpt #: 296 total cpu time spent up to now is 80.9 secs Computing kpt #: 297 total cpu time spent up to now is 81.1 secs Computing kpt #: 298 total cpu time spent up to now is 81.4 secs Computing kpt #: 299 total cpu time spent up to now is 81.7 secs Computing kpt #: 300 total cpu time spent up to now is 82.0 secs Computing kpt #: 301 total cpu time spent up to now is 82.2 secs Computing kpt #: 302 total cpu time spent up to now is 82.5 secs Computing kpt #: 303 total cpu time spent up to now is 82.8 secs Computing kpt #: 304 total cpu time spent up to now is 83.1 secs Computing kpt #: 305 total cpu time spent up to now is 83.4 secs Computing kpt #: 306 total cpu time spent up to now is 83.6 secs Computing kpt #: 307 total cpu time spent up to now is 83.9 secs Computing kpt #: 308 total cpu time spent up to now is 84.2 secs Computing kpt #: 309 total cpu time spent up to now is 84.5 secs Computing kpt #: 310 total cpu time spent up to now is 84.7 secs Computing kpt #: 311 total cpu time spent up to now is 85.0 secs Computing kpt #: 312 total cpu time spent up to now is 85.3 secs Computing kpt #: 313 total cpu time spent up to now is 85.6 secs Computing kpt #: 314 total cpu time spent up to now is 85.8 secs Computing kpt #: 315 total cpu time spent up to now is 86.1 secs Computing kpt #: 316 total cpu time spent up to now is 86.4 secs Computing kpt #: 317 total cpu time spent up to now is 86.7 secs Computing kpt #: 318 total cpu time spent up to now is 86.9 secs Computing kpt #: 319 total cpu time spent up to now is 87.2 secs Computing kpt #: 320 total cpu time spent up to now is 87.5 secs Computing kpt #: 321 total cpu time spent up to now is 87.7 secs Computing kpt #: 322 total cpu time spent up to now is 88.0 secs Computing kpt #: 323 total cpu time spent up to now is 88.3 secs Computing kpt #: 324 total cpu time spent up to now is 88.6 secs Computing kpt #: 325 total cpu time spent up to now is 88.8 secs Computing kpt #: 326 total cpu time spent up to now is 89.1 secs Computing kpt #: 327 total cpu time spent up to now is 89.4 secs Computing kpt #: 328 total cpu time spent up to now is 89.6 secs Computing kpt #: 329 total cpu time spent up to now is 89.9 secs Computing kpt #: 330 total cpu time spent up to now is 90.2 secs Computing kpt #: 331 total cpu time spent up to now is 90.4 secs Computing kpt #: 332 total cpu time spent up to now is 90.7 secs Computing kpt #: 333 total cpu time spent up to now is 91.0 secs Computing kpt #: 334 total cpu time spent up to now is 91.2 secs Computing kpt #: 335 total cpu time spent up to now is 91.5 secs Computing kpt #: 336 total cpu time spent up to now is 91.8 secs Computing kpt #: 337 total cpu time spent up to now is 92.1 secs Computing kpt #: 338 total cpu time spent up to now is 92.4 secs Computing kpt #: 339 total cpu time spent up to now is 92.7 secs Computing kpt #: 340 total cpu time spent up to now is 93.0 secs Computing kpt #: 341 total cpu time spent up to now is 93.4 secs Computing kpt #: 342 total cpu time spent up to now is 93.8 secs Computing kpt #: 343 total cpu time spent up to now is 94.2 secs Computing kpt #: 344 total cpu time spent up to now is 94.7 secs Computing kpt #: 345 total cpu time spent up to now is 95.1 secs Computing kpt #: 346 total cpu time spent up to now is 95.6 secs Computing kpt #: 347 total cpu time spent up to now is 96.0 secs Computing kpt #: 348 total cpu time spent up to now is 96.3 secs Computing kpt #: 349 total cpu time spent up to now is 96.5 secs Computing kpt #: 350 total cpu time spent up to now is 97.0 secs Computing kpt #: 351 total cpu time spent up to now is 97.5 secs Computing kpt #: 352 total cpu time spent up to now is 97.9 secs Computing kpt #: 353 total cpu time spent up to now is 98.3 secs Computing kpt #: 354 total cpu time spent up to now is 98.6 secs Computing kpt #: 355 total cpu time spent up to now is 99.2 secs Computing kpt #: 356 total cpu time spent up to now is 99.6 secs Computing kpt #: 357 total cpu time spent up to now is 100.2 secs Computing kpt #: 358 total cpu time spent up to now is 100.6 secs Computing kpt #: 359 total cpu time spent up to now is 100.9 secs Computing kpt #: 360 total cpu time spent up to now is 101.2 secs Computing kpt #: 361 total cpu time spent up to now is 101.5 secs Computing kpt #: 362 total cpu time spent up to now is 101.8 secs Computing kpt #: 363 total cpu time spent up to now is 102.1 secs Computing kpt #: 364 total cpu time spent up to now is 102.4 secs Computing kpt #: 365 total cpu time spent up to now is 102.6 secs Computing kpt #: 366 total cpu time spent up to now is 102.9 secs Computing kpt #: 367 total cpu time spent up to now is 103.1 secs Computing kpt #: 368 total cpu time spent up to now is 103.4 secs Computing kpt #: 369 total cpu time spent up to now is 103.6 secs Computing kpt #: 370 total cpu time spent up to now is 103.8 secs Computing kpt #: 371 total cpu time spent up to now is 104.1 secs Computing kpt #: 372 total cpu time spent up to now is 104.3 secs Computing kpt #: 373 total cpu time spent up to now is 104.5 secs Computing kpt #: 374 total cpu time spent up to now is 104.8 secs Computing kpt #: 375 total cpu time spent up to now is 105.0 secs Computing kpt #: 376 total cpu time spent up to now is 105.2 secs Computing kpt #: 377 total cpu time spent up to now is 105.5 secs Computing kpt #: 378 total cpu time spent up to now is 105.7 secs Computing kpt #: 379 total cpu time spent up to now is 106.0 secs Computing kpt #: 380 total cpu time spent up to now is 106.3 secs Computing kpt #: 381 total cpu time spent up to now is 106.5 secs Computing kpt #: 382 total cpu time spent up to now is 106.8 secs Computing kpt #: 383 total cpu time spent up to now is 107.4 secs Computing kpt #: 384 total cpu time spent up to now is 107.6 secs Computing kpt #: 385 total cpu time spent up to now is 107.9 secs Computing kpt #: 386 total cpu time spent up to now is 108.1 secs Computing kpt #: 387 total cpu time spent up to now is 108.4 secs Computing kpt #: 388 total cpu time spent up to now is 108.6 secs Computing kpt #: 389 total cpu time spent up to now is 108.9 secs Computing kpt #: 390 total cpu time spent up to now is 109.1 secs Computing kpt #: 391 total cpu time spent up to now is 109.3 secs Computing kpt #: 392 total cpu time spent up to now is 109.5 secs Computing kpt #: 393 total cpu time spent up to now is 109.8 secs Computing kpt #: 394 total cpu time spent up to now is 110.0 secs Computing kpt #: 395 total cpu time spent up to now is 110.3 secs Computing kpt #: 396 total cpu time spent up to now is 110.5 secs Computing kpt #: 397 total cpu time spent up to now is 110.7 secs Computing kpt #: 398 total cpu time spent up to now is 111.0 secs Computing kpt #: 399 total cpu time spent up to now is 111.3 secs Computing kpt #: 400 total cpu time spent up to now is 111.5 secs Computing kpt #: 401 total cpu time spent up to now is 111.8 secs Computing kpt #: 402 total cpu time spent up to now is 112.1 secs Computing kpt #: 403 total cpu time spent up to now is 112.4 secs Computing kpt #: 404 total cpu time spent up to now is 112.7 secs Computing kpt #: 405 total cpu time spent up to now is 113.0 secs Computing kpt #: 406 total cpu time spent up to now is 113.3 secs Computing kpt #: 407 total cpu time spent up to now is 113.5 secs Computing kpt #: 408 total cpu time spent up to now is 113.8 secs Computing kpt #: 409 total cpu time spent up to now is 114.0 secs Computing kpt #: 410 total cpu time spent up to now is 114.3 secs Computing kpt #: 411 total cpu time spent up to now is 114.5 secs Computing kpt #: 412 total cpu time spent up to now is 114.7 secs Computing kpt #: 413 total cpu time spent up to now is 115.0 secs Computing kpt #: 414 total cpu time spent up to now is 115.2 secs Computing kpt #: 415 total cpu time spent up to now is 115.5 secs Computing kpt #: 416 total cpu time spent up to now is 115.7 secs Computing kpt #: 417 total cpu time spent up to now is 115.9 secs Computing kpt #: 418 total cpu time spent up to now is 116.2 secs Computing kpt #: 419 total cpu time spent up to now is 116.4 secs Computing kpt #: 420 total cpu time spent up to now is 116.7 secs Computing kpt #: 421 total cpu time spent up to now is 116.9 secs Computing kpt #: 422 total cpu time spent up to now is 117.2 secs Computing kpt #: 423 total cpu time spent up to now is 117.4 secs Computing kpt #: 424 total cpu time spent up to now is 117.7 secs Computing kpt #: 425 total cpu time spent up to now is 117.9 secs Computing kpt #: 426 total cpu time spent up to now is 118.1 secs Computing kpt #: 427 total cpu time spent up to now is 118.4 secs Computing kpt #: 428 total cpu time spent up to now is 118.6 secs Computing kpt #: 429 total cpu time spent up to now is 118.9 secs Computing kpt #: 430 total cpu time spent up to now is 119.1 secs Computing kpt #: 431 total cpu time spent up to now is 119.4 secs Computing kpt #: 432 total cpu time spent up to now is 119.6 secs Computing kpt #: 433 total cpu time spent up to now is 119.9 secs Computing kpt #: 434 total cpu time spent up to now is 120.1 secs Computing kpt #: 435 total cpu time spent up to now is 120.4 secs Computing kpt #: 436 total cpu time spent up to now is 120.6 secs Computing kpt #: 437 total cpu time spent up to now is 120.9 secs Computing kpt #: 438 total cpu time spent up to now is 121.1 secs Computing kpt #: 439 total cpu time spent up to now is 121.4 secs Computing kpt #: 440 total cpu time spent up to now is 121.7 secs Computing kpt #: 441 total cpu time spent up to now is 121.9 secs Computing kpt #: 442 total cpu time spent up to now is 122.2 secs Computing kpt #: 443 total cpu time spent up to now is 122.4 secs Computing kpt #: 444 total cpu time spent up to now is 122.7 secs Computing kpt #: 445 total cpu time spent up to now is 123.0 secs Computing kpt #: 446 total cpu time spent up to now is 123.2 secs Computing kpt #: 447 total cpu time spent up to now is 123.5 secs Computing kpt #: 448 total cpu time spent up to now is 123.7 secs Computing kpt #: 449 total cpu time spent up to now is 124.0 secs Computing kpt #: 450 total cpu time spent up to now is 124.3 secs Computing kpt #: 451 total cpu time spent up to now is 124.5 secs Computing kpt #: 452 total cpu time spent up to now is 124.8 secs Computing kpt #: 453 total cpu time spent up to now is 125.1 secs Computing kpt #: 454 total cpu time spent up to now is 125.3 secs Computing kpt #: 455 total cpu time spent up to now is 125.6 secs Computing kpt #: 456 total cpu time spent up to now is 125.9 secs Computing kpt #: 457 total cpu time spent up to now is 126.1 secs Computing kpt #: 458 total cpu time spent up to now is 126.4 secs Computing kpt #: 459 total cpu time spent up to now is 126.6 secs Computing kpt #: 460 total cpu time spent up to now is 126.9 secs ethr = 2.94E-08, avg # of iterations = 18.8 total cpu time spent up to now is 126.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3209 PWs) bands (ev): -5.1654 -5.1654 -4.1528 -4.1528 1.3088 1.3088 3.7463 3.7463 3.8039 3.8039 4.5985 4.5985 4.6558 4.6558 4.7978 4.7978 4.9823 4.9823 5.1137 5.1137 5.4392 5.4392 5.5886 5.5886 5.7013 5.7013 6.1049 6.1049 6.9170 6.9170 8.1730 8.1730 9.4208 9.4208 9.8329 9.8329 10.3851 10.3851 11.2166 11.2166 11.6388 11.6388 k = 0.0100-0.0000-0.0000 ( 3215 PWs) bands (ev): -5.1641 -5.1641 -4.1516 -4.1516 1.3102 1.3102 3.7466 3.7466 3.8043 3.8043 4.5986 4.5986 4.6560 4.6560 4.7975 4.7975 4.9825 4.9825 5.1129 5.1129 5.4390 5.4390 5.5881 5.5881 5.6996 5.6996 6.1076 6.1076 6.9183 6.9183 8.1735 8.1735 9.4192 9.4192 9.8204 9.8204 10.3864 10.3864 11.1998 11.1998 11.6406 11.6406 k = 0.0200-0.0000-0.0000 ( 3219 PWs) bands (ev): -5.1600 -5.1600 -4.1480 -4.1480 1.3144 1.3144 3.7478 3.7478 3.8056 3.8056 4.5991 4.5991 4.6566 4.6566 4.7967 4.7967 4.9829 4.9829 5.1110 5.1110 5.4383 5.4383 5.5867 5.5867 5.6948 5.6948 6.1156 6.1156 6.9222 6.9222 8.1753 8.1753 9.4136 9.4136 9.7845 9.7845 10.3899 10.3899 11.1507 11.1507 11.6460 11.6460 k = 0.0300-0.0000-0.0000 ( 3231 PWs) bands (ev): -5.1533 -5.1533 -4.1420 -4.1420 1.3214 1.3214 3.7498 3.7498 3.8077 3.8077 4.5999 4.5999 4.6576 4.6576 4.7953 4.7953 4.9835 4.9835 5.1079 5.1079 5.4371 5.4371 5.5838 5.5838 5.6878 5.6878 6.1283 6.1283 6.9287 6.9287 8.1781 8.1781 9.4004 9.4004 9.7306 9.7306 10.3951 10.3951 11.0723 11.0723 11.6551 11.6551 k = 0.0400-0.0000-0.0000 ( 3231 PWs) bands (ev): -5.1439 -5.1439 -4.1336 -4.1336 1.3312 1.3312 3.7526 3.7526 3.8107 3.8107 4.6010 4.6010 4.6590 4.6590 4.7934 4.7934 4.9843 4.9843 5.1038 5.1038 5.4355 5.4355 5.5788 5.5788 5.6800 5.6800 6.1453 6.1453 6.9377 6.9377 8.1821 8.1821 9.3716 9.3716 9.6694 9.6694 10.4012 10.4012 10.9695 10.9695 11.6679 11.6679 k = 0.0500-0.0000-0.0000 ( 3229 PWs) bands (ev): -5.1318 -5.1318 -4.1228 -4.1228 1.3438 1.3438 3.7561 3.7561 3.8146 3.8146 4.6023 4.6023 4.6609 4.6609 4.7909 4.7909 4.9850 4.9850 5.0989 5.0989 5.4335 5.4335 5.5708 5.5708 5.6730 5.6730 6.1658 6.1658 6.9492 6.9492 8.1872 8.1872 9.3142 9.3142 9.6168 9.6168 10.4068 10.4068 10.8480 10.8480 11.6846 11.6846 k = 0.0600-0.0000-0.0000 ( 3229 PWs) bands (ev): -5.1170 -5.1170 -4.1096 -4.1096 1.3592 1.3592 3.7603 3.7603 3.8193 3.8193 4.6038 4.6038 4.6632 4.6632 4.7878 4.7878 4.9853 4.9853 5.0935 5.0935 5.4310 5.4310 5.5591 5.5591 5.6680 5.6680 6.1893 6.1893 6.9630 6.9630 8.1933 8.1933 9.2198 9.2198 9.5837 9.5837 10.4084 10.4084 10.7159 10.7159 11.7051 11.7051 k = 0.0700-0.0000-0.0000 ( 3227 PWs) bands (ev): -5.0996 -5.0996 -4.0941 -4.0941 1.3773 1.3773 3.7652 3.7652 3.8248 3.8248 4.6054 4.6054 4.6658 4.6658 4.7840 4.7840 4.9848 4.9848 5.0880 5.0880 5.4282 5.4282 5.5437 5.5437 5.6655 5.6655 6.2151 6.2151 6.9791 6.9791 8.2004 8.2004 9.0940 9.0940 9.5668 9.5668 10.3927 10.3927 10.5914 10.5914 11.7295 11.7295 k = 0.0800-0.0000-0.0000 ( 3223 PWs) bands (ev): -5.0795 -5.0795 -4.0763 -4.0763 1.3982 1.3982 3.7708 3.7708 3.8311 3.8311 4.6072 4.6072 4.6689 4.6689 4.7794 4.7794 4.9829 4.9829 5.0831 5.0831 5.4248 5.4248 5.5252 5.5252 5.6653 5.6653 6.2430 6.2430 6.9973 6.9973 8.2084 8.2084 8.9466 8.9466 9.5571 9.5571 10.3184 10.3184 10.5212 10.5212 11.7579 11.7579 k = 0.0900-0.0000-0.0000 ( 3219 PWs) bands (ev): -5.0568 -5.0568 -4.0561 -4.0561 1.4218 1.4218 3.7770 3.7770 3.8382 3.8382 4.6089 4.6089 4.6722 4.6722 4.7742 4.7742 4.9790 4.9790 5.0793 5.0793 5.4208 5.4208 5.5045 5.5045 5.6670 5.6670 6.2727 6.2727 7.0175 7.0175 8.2171 8.2171 8.7849 8.7849 9.5459 9.5459 10.1880 10.1880 10.5096 10.5096 11.7900 11.7900 k = 0.1000-0.0000-0.0000 ( 3215 PWs) bands (ev): -5.0315 -5.0315 -4.0336 -4.0336 1.4481 1.4481 3.7837 3.7837 3.8461 3.8461 4.6105 4.6105 4.6755 4.6755 4.7682 4.7682 4.9725 4.9725 5.0773 5.0773 5.4160 5.4160 5.4825 5.4825 5.6702 5.6702 6.3037 6.3037 7.0393 7.0393 8.2262 8.2262 8.6140 8.6140 9.5222 9.5222 10.0515 10.0515 10.5176 10.5176 11.8260 11.8260 k = 0.1100-0.0000-0.0000 ( 3215 PWs) bands (ev): -5.0035 -5.0035 -4.0089 -4.0089 1.4771 1.4771 3.7908 3.7908 3.8546 3.8546 4.6120 4.6120 4.6786 4.6786 4.7617 4.7617 4.9632 4.9632 5.0771 5.0771 5.4098 5.4098 5.4604 5.4604 5.6744 5.6744 6.3360 6.3360 7.0626 7.0626 8.2343 8.2343 8.4382 8.4382 9.4690 9.4690 9.9398 9.9398 10.5325 10.5325 11.8658 11.8658 k = 0.1200-0.0000-0.0000 ( 3215 PWs) bands (ev): -4.9730 -4.9730 -3.9820 -3.9820 1.5087 1.5087 3.7983 3.7983 3.8639 3.8639 4.6134 4.6134 4.6807 4.6807 4.7551 4.7551 4.9508 4.9508 5.0790 5.0790 5.4007 5.4007 5.4402 5.4402 5.6794 5.6794 6.3694 6.3694 7.0870 7.0870 8.2208 8.2208 8.2809 8.2809 9.3710 9.3710 9.8725 9.8725 10.5511 10.5511 11.9094 11.9094 k = 0.1300-0.0000-0.0000 ( 3211 PWs) bands (ev): -4.9399 -4.9399 -3.9529 -3.9529 1.5429 1.5429 3.8060 3.8060 3.8738 3.8738 4.6145 4.6145 4.6809 4.6809 4.7492 4.7492 4.9356 4.9356 5.0825 5.0825 5.3860 5.3860 5.4250 5.4250 5.6851 5.6851 6.4038 6.4038 7.1118 7.1118 8.0651 8.0651 8.2643 8.2643 9.2335 9.2335 9.8470 9.8470 10.5724 10.5724 11.9565 11.9565 k = 0.1400-0.0000-0.0000 ( 3207 PWs) bands (ev): -4.9043 -4.9043 -3.9216 -3.9216 1.5797 1.5797 3.8139 3.8139 3.8844 3.8844 4.6152 4.6152 4.6779 4.6779 4.7451 4.7451 4.9177 4.9177 5.0875 5.0875 5.3653 5.3653 5.4152 5.4152 5.6911 5.6911 6.4389 6.4389 7.1361 7.1361 7.8863 7.8863 8.2710 8.2710 9.0746 9.0746 9.8477 9.8477 10.5961 10.5961 12.0073 12.0073 k = 0.1500-0.0000-0.0000 ( 3203 PWs) bands (ev): -4.8661 -4.8661 -3.8883 -3.8883 1.6190 1.6190 3.8219 3.8219 3.8956 3.8956 4.6148 4.6148 4.6709 4.6709 4.7438 4.7438 4.8971 4.8971 5.0935 5.0935 5.3414 5.3414 5.4085 5.4085 5.6974 5.6974 6.4743 6.4743 7.1580 7.1580 7.7108 7.7108 8.2759 8.2759 8.9093 8.9093 9.8632 9.8632 10.6217 10.6217 12.0617 12.0617 k = 0.1600-0.0000-0.0000 ( 3201 PWs) bands (ev): -4.8255 -4.8255 -3.8529 -3.8529 1.6608 1.6608 3.8299 3.8299 3.9073 3.9073 4.6121 4.6121 4.6608 4.6608 4.7453 4.7453 4.8736 4.8736 5.1002 5.1002 5.3162 5.3162 5.4031 5.4031 5.7040 5.7040 6.5096 6.5096 7.1725 7.1725 7.5461 7.5461 8.2731 8.2731 8.7494 8.7494 9.8876 9.8876 10.6494 10.6494 12.1195 12.1195 k = 0.1700-0.0000-0.0000 ( 3209 PWs) bands (ev): -4.7824 -4.7824 -3.8155 -3.8155 1.7050 1.7050 3.8375 3.8375 3.9195 3.9195 4.6039 4.6039 4.6509 4.6509 4.7487 4.7487 4.8471 4.8471 5.1075 5.1075 5.2906 5.2906 5.3984 5.3984 5.7106 5.7106 6.5437 6.5437 7.1636 7.1636 7.4100 7.4100 8.2504 8.2504 8.6110 8.6110 9.9181 9.9181 10.6789 10.6789 12.1807 12.1807 k = 0.1800-0.0000-0.0000 ( 3211 PWs) bands (ev): -4.7369 -4.7369 -3.7763 -3.7763 1.7515 1.7515 3.8449 3.8449 3.9323 3.9323 4.5871 4.5871 4.6450 4.6450 4.7531 4.7531 4.8173 4.8173 5.1150 5.1150 5.2650 5.2650 5.3943 5.3943 5.7174 5.7174 6.5740 6.5740 7.0968 7.0968 7.3397 7.3397 8.1864 8.1864 8.5191 8.5191 9.9532 9.9532 10.7102 10.7102 12.2452 12.2452 k = 0.1900-0.0000-0.0000 ( 3207 PWs) bands (ev): -4.6891 -4.6891 -3.7352 -3.7352 1.8004 1.8004 3.8517 3.8517 3.9455 3.9455 4.5616 4.5616 4.6431 4.6431 4.7563 4.7563 4.7853 4.7853 5.1226 5.1226 5.2401 5.2401 5.3906 5.3906 5.7243 5.7243 6.5944 6.5944 6.9874 6.9874 7.3253 7.3253 8.0774 8.0774 8.4809 8.4809 9.9921 9.9921 10.7432 10.7432 12.3130 12.3130 k = 0.2000-0.0000-0.0000 ( 3207 PWs) bands (ev): -4.6390 -4.6390 -3.6924 -3.6924 1.8515 1.8515 3.8577 3.8577 3.9591 3.9591 4.5290 4.5290 4.6433 4.6433 4.7382 4.7382 4.7701 4.7701 5.1294 5.1294 5.2162 5.2162 5.3874 5.3874 5.7311 5.7311 6.5880 6.5880 6.8930 6.8930 7.3229 7.3229 7.9513 7.9513 8.4739 8.4739 10.0342 10.0342 10.7777 10.7777 12.3838 12.3838 k = 0.2100-0.0000-0.0000 ( 3203 PWs) bands (ev): -4.5865 -4.5865 -3.6480 -3.6480 1.9047 1.9047 3.8625 3.8625 3.9730 3.9730 4.4903 4.4903 4.6447 4.6447 4.6960 4.6960 4.7736 4.7736 5.1343 5.1343 5.1951 5.1951 5.3848 5.3848 5.7379 5.7379 6.5317 6.5317 6.8527 6.8527 7.3102 7.3102 7.8341 7.8341 8.4805 8.4805 10.0792 10.0792 10.8135 10.8135 12.4575 12.4575 k = 0.2200-0.0000-0.0000 ( 3211 PWs) bands (ev): -4.5319 -4.5319 -3.6020 -3.6020 1.9599 1.9599 3.8657 3.8657 3.9871 3.9871 4.4453 4.4453 4.6413 4.6413 4.6514 4.6514 4.7786 4.7786 5.1331 5.1331 5.1806 5.1806 5.3827 5.3827 5.7445 5.7445 6.4369 6.4369 6.8605 6.8605 7.2714 7.2714 7.7453 7.7453 8.4933 8.4933 10.1269 10.1269 10.8504 10.8504 12.5318 12.5318 k = 0.2300-0.0000-0.0000 ( 3215 PWs) bands (ev): -4.4752 -4.4752 -3.5547 -3.5547 2.0170 2.0170 3.8668 3.8668 4.0014 4.0014 4.3941 4.3941 4.5885 4.5885 4.6504 4.6504 4.7833 4.7833 5.1215 5.1215 5.1774 5.1774 5.3816 5.3816 5.7509 5.7509 6.3318 6.3318 6.8905 6.8905 7.1986 7.1986 7.6952 7.6952 8.5093 8.5093 10.1771 10.1771 10.8878 10.8878 12.4745 12.4745 k = 0.2400-0.0000-0.0000 ( 3207 PWs) bands (ev): -4.4164 -4.4164 -3.5061 -3.5061 2.0759 2.0759 3.8649 3.8649 4.0157 4.0157 4.3366 4.3366 4.5265 4.5265 4.6533 4.6533 4.7874 4.7874 5.1034 5.1034 5.1817 5.1817 5.3812 5.3812 5.7572 5.7572 6.2305 6.2305 6.9295 6.9295 7.0997 7.0997 7.6774 7.6774 8.5270 8.5270 10.2295 10.2295 10.9251 10.9251 12.3049 12.3049 k = 0.2500-0.0000-0.0000 ( 3201 PWs) bands (ev): -4.3556 -4.3556 -3.4563 -3.4563 2.1365 2.1365 3.8583 3.8583 4.0297 4.0297 4.2732 4.2732 4.4596 4.4596 4.6566 4.6566 4.7907 4.7907 5.0835 5.0835 5.1888 5.1888 5.3820 5.3820 5.7632 5.7632 6.1383 6.1383 6.9588 6.9588 7.0026 7.0026 7.6785 7.6785 8.5456 8.5456 10.2840 10.2840 10.9610 10.9610 12.1442 12.1442 k = 0.2600-0.0000-0.0000 ( 3197 PWs) bands (ev): -4.2929 -4.2929 -3.4056 -3.4056 2.1986 2.1986 3.8445 3.8445 4.0425 4.0425 4.2057 4.2057 4.3897 4.3897 4.6601 4.6601 4.7927 4.7927 5.0640 5.0640 5.1970 5.1970 5.3837 5.3837 5.7685 5.7685 6.0572 6.0572 6.8646 6.8646 7.0294 7.0294 7.6887 7.6887 8.5643 8.5643 10.3405 10.3405 10.9937 10.9937 11.9966 11.9966 k = 0.2700-0.0000-0.0000 ( 3197 PWs) bands (ev): -4.2285 -4.2285 -3.3542 -3.3542 2.2619 2.2619 3.8194 3.8194 4.0505 4.0505 4.1404 4.1404 4.3189 4.3189 4.6638 4.6638 4.7934 4.7934 5.0454 5.0454 5.2057 5.2057 5.3865 5.3865 5.7727 5.7727 5.9876 5.9876 6.7531 6.7531 7.0791 7.0791 7.7021 7.7021 8.5829 8.5829 10.3987 10.3987 11.0202 11.0202 11.8665 11.8665 k = 0.2800-0.0000-0.0000 ( 3201 PWs) bands (ev): -4.1623 -4.1623 -3.3022 -3.3022 2.3263 2.3263 3.7775 3.7775 4.0332 4.0332 4.1015 4.1015 4.2508 4.2508 4.6675 4.6675 4.7925 4.7925 5.0284 5.0284 5.2147 5.2147 5.3902 5.3902 5.7752 5.7752 5.9296 5.9296 6.6469 6.6469 7.1316 7.1316 7.7154 7.7154 8.6008 8.6008 10.4585 10.4585 11.0356 11.0356 11.7596 11.7596 k = 0.2900-0.0000-0.0000 ( 3197 PWs) bands (ev): -4.0946 -4.0946 -3.2499 -3.2499 2.3915 2.3915 3.7144 3.7144 3.9789 3.9789 4.1011 4.1011 4.1908 4.1908 4.6711 4.6711 4.7901 4.7901 5.0132 5.0132 5.2241 5.2241 5.3950 5.3950 5.7744 5.7744 5.8839 5.8839 6.5486 6.5486 7.1860 7.1860 7.7264 7.7264 8.6177 8.6177 10.5195 10.5195 11.0342 11.0342 11.6828 11.6828 k = 0.3000-0.0000-0.0000 ( 3191 PWs) bands (ev): -4.0255 -4.0255 -3.1975 -3.1975 2.4570 2.4570 3.6314 3.6314 3.9135 3.9135 4.1035 4.1035 4.1494 4.1494 4.6743 4.6743 4.7864 4.7864 4.9999 4.9999 5.2336 5.2336 5.4007 5.4007 5.7669 5.7669 5.8523 5.8523 6.4594 6.4594 7.2419 7.2419 7.7334 7.7334 8.6331 8.6331 10.5814 10.5814 11.0120 11.0120 11.6412 11.6412 k = 0.3100-0.0000-0.0000 ( 3191 PWs) bands (ev): -3.9551 -3.9551 -3.1454 -3.1454 2.5223 2.5223 3.5341 3.5341 3.8393 3.8393 4.0866 4.0866 4.1432 4.1432 4.6768 4.6768 4.7814 4.7814 4.9887 4.9887 5.2434 5.2434 5.4071 5.4071 5.7504 5.7504 5.8357 5.8357 6.3801 6.3801 7.2991 7.2991 7.7350 7.7350 8.6468 8.6468 10.6435 10.6435 10.9714 10.9714 11.6338 11.6338 k = 0.3200-0.0000-0.0000 ( 3189 PWs) bands (ev): -3.8836 -3.8836 -3.0938 -3.0938 2.5867 2.5867 3.4291 3.4291 3.7561 3.7561 4.0652 4.0652 4.1538 4.1538 4.6780 4.6780 4.7760 4.7760 4.9792 4.9792 5.2534 5.2534 5.4141 5.4141 5.7287 5.7287 5.8292 5.8292 6.3112 6.3112 7.3574 7.3574 7.7302 7.7302 8.6583 8.6583 10.7046 10.7046 10.9217 10.9217 11.6534 11.6534 k = 0.3300-0.0000-0.0000 ( 3189 PWs) bands (ev): -3.8111 -3.8111 -3.0431 -3.0431 2.6489 2.6489 3.3214 3.3214 3.6662 3.6662 4.0485 4.0485 4.1675 4.1675 4.6773 4.6773 4.7710 4.7710 4.9713 4.9713 5.2636 5.2636 5.4215 5.4215 5.7065 5.7065 5.8266 5.8266 6.2530 6.2530 7.4165 7.4165 7.7180 7.7180 8.6675 8.6675 10.7591 10.7591 10.8767 10.8767 11.6920 11.6920 k = 0.3400-0.0000-0.0000 ( 3189 PWs) bands (ev): -3.7380 -3.7380 -2.9936 -2.9936 2.7063 2.7063 3.2160 3.2160 3.5725 3.5725 4.0355 4.0355 4.1823 4.1823 4.6738 4.6738 4.7675 4.7675 4.9647 4.9647 5.2740 5.2740 5.4293 5.4293 5.6860 5.6860 5.8247 5.8247 6.2056 6.2056 7.4764 7.4764 7.6976 7.6976 8.6740 8.6740 10.7782 10.7782 10.8713 10.8713 11.7435 11.7435 k = 0.3500-0.0000-0.0000 ( 3181 PWs) bands (ev): -3.6644 -3.6644 -2.9458 -2.9458 2.7535 2.7535 3.1190 3.1190 3.4780 3.4780 4.0245 4.0245 4.1973 4.1973 4.6672 4.6672 4.7664 4.7664 4.9591 4.9591 5.2846 5.2846 5.4373 5.4373 5.6678 5.6678 5.8217 5.8217 6.1692 6.1692 7.5368 7.5368 7.6686 7.6686 8.6778 8.6778 10.7534 10.7534 10.9177 10.9177 11.8042 11.8042 k = 0.3600-0.0000-0.0000 ( 3183 PWs) bands (ev): -3.5905 -3.5905 -2.9002 -2.9002 2.7771 2.7771 3.0427 3.0427 3.3870 3.3870 4.0144 4.0144 4.2125 4.2125 4.6575 4.6575 4.7676 4.7676 4.9541 4.9541 5.2953 5.2953 5.4451 5.4451 5.6521 5.6521 5.8167 5.8167 6.1438 6.1438 7.5964 7.5964 7.6320 7.6320 8.6789 8.6789 10.7270 10.7270 10.9750 10.9750 11.8717 11.8717 k = 0.3700-0.0000-0.0000 ( 3183 PWs) bands (ev): -3.5167 -3.5167 -2.8571 -2.8571 2.7567 2.7567 3.0021 3.0021 3.3073 3.3073 4.0043 4.0043 4.2278 4.2278 4.6452 4.6452 4.7709 4.7709 4.9496 4.9496 5.3060 5.3060 5.4525 5.4525 5.6387 5.6387 5.8095 5.8095 6.1291 6.1291 7.5825 7.5825 7.6604 7.6604 8.6771 8.6771 10.7098 10.7098 11.0327 11.0327 11.9447 11.9447 k = 0.3800-0.0000-0.0000 ( 3181 PWs) bands (ev): -3.4433 -3.4433 -2.8170 -2.8170 2.6960 2.6960 2.9800 2.9800 3.2544 3.2544 3.9938 3.9938 4.2432 4.2432 4.6312 4.6312 4.7760 4.7760 4.9451 4.9451 5.3169 5.3169 5.4592 5.4592 5.6279 5.6279 5.8003 5.8003 6.1243 6.1243 7.5279 7.5279 7.7213 7.7213 8.6724 8.6724 10.7036 10.7036 11.0880 11.0880 12.0220 12.0220 k = 0.3900-0.0000-0.0000 ( 3171 PWs) bands (ev): -3.3705 -3.3705 -2.7806 -2.7806 2.6198 2.6198 2.9370 2.9370 3.2448 3.2448 3.9825 3.9825 4.2585 4.2585 4.6158 4.6158 4.7824 4.7824 4.9408 4.9408 5.3277 5.3277 5.4650 5.4650 5.6197 5.6197 5.7894 5.7894 6.1285 6.1285 7.4655 7.4655 7.7824 7.7824 8.6650 8.6650 10.7084 10.7084 11.1396 11.1396 12.1032 12.1032 k = 0.4000-0.0000-0.0000 ( 3171 PWs) bands (ev): -3.2989 -3.2989 -2.7483 -2.7483 2.5425 2.5425 2.8682 2.8682 3.2707 3.2707 3.9701 3.9701 4.2739 4.2739 4.5997 4.5997 4.7895 4.7895 4.9363 4.9363 5.3385 5.3385 5.4694 5.4694 5.6140 5.6140 5.7777 5.7777 6.1408 6.1408 7.3965 7.3965 7.8432 7.8432 8.6546 8.6546 10.7235 10.7235 11.1860 11.1860 12.1876 12.1876 k = 0.4100-0.0000-0.0000 ( 3173 PWs) bands (ev): -3.2287 -3.2287 -2.7206 -2.7206 2.4696 2.4696 2.7876 2.7876 3.3139 3.3139 3.9562 3.9562 4.2893 4.2893 4.5830 4.5830 4.7972 4.7972 4.9317 4.9317 5.3491 5.3491 5.4720 5.4720 5.6111 5.6111 5.7656 5.7656 6.1602 6.1602 7.3220 7.3220 7.9034 7.9034 8.6413 8.6413 10.7480 10.7480 11.2259 11.2259 12.2748 12.2748 k = 0.4200-0.0000-0.0000 ( 3171 PWs) bands (ev): -3.1604 -3.1604 -2.6980 -2.6980 2.4039 2.4039 2.7045 2.7045 3.3638 3.3638 3.9407 3.9407 4.3047 4.3047 4.5661 4.5661 4.8053 4.8053 4.9267 4.9267 5.3597 5.3597 5.4729 5.4729 5.6109 5.6109 5.7535 5.7535 6.1862 6.1862 7.2434 7.2434 7.9629 7.9629 8.6251 8.6251 10.7805 10.7805 11.2580 11.2580 12.3644 12.3644 k = 0.4300-0.0000-0.0000 ( 3177 PWs) bands (ev): -3.0945 -3.0945 -2.6810 -2.6810 2.3468 2.3468 2.6233 2.6233 3.4159 3.4159 3.9234 3.9234 4.3201 4.3201 4.5490 4.5490 4.8138 4.8138 4.9213 4.9213 5.3700 5.3700 5.4720 5.4720 5.6131 5.6131 5.7416 5.7416 6.2183 6.2183 7.1618 7.1618 8.0213 8.0213 8.6057 8.6057 10.8198 10.8198 11.2811 11.2811 12.4556 12.4556 k = 0.4400-0.0000-0.0000 ( 3180 PWs) bands (ev): -3.0315 -3.0315 -2.6701 -2.6701 2.2993 2.2993 2.5462 2.5462 3.4679 3.4679 3.9041 3.9041 4.3356 4.3356 4.5318 4.5318 4.8224 4.8224 4.9156 4.9156 5.3800 5.3800 5.4695 5.4695 5.6175 5.6175 5.7300 5.7300 6.2563 6.2563 7.0785 7.0785 8.0784 8.0784 8.5832 8.5832 10.8645 10.8645 11.2943 11.2943 12.5481 12.5481 k = 0.4500-0.0000-0.0000 ( 3180 PWs) bands (ev): -2.9719 -2.9719 -2.6654 -2.6654 2.2621 2.2621 2.4750 2.4750 3.5187 3.5187 3.8825 3.8825 4.3513 4.3513 4.5147 4.5147 4.8311 4.8311 4.9096 4.9096 5.3898 5.3898 5.4656 5.4656 5.6236 5.6236 5.7189 5.7189 6.3000 6.3000 6.9946 6.9946 8.1340 8.1340 8.5574 8.5574 10.9132 10.9132 11.2970 11.2970 12.6409 12.6409 k = 0.4600-0.0000-0.0000 ( 3180 PWs) bands (ev): -2.9162 -2.9162 -2.6674 -2.6674 2.2356 2.2356 2.4107 2.4107 3.5675 3.5675 3.8586 3.8586 4.3670 4.3670 4.4977 4.4977 4.8399 4.8399 4.9031 4.9031 5.3993 5.3993 5.4607 5.4607 5.6309 5.6309 5.7079 5.7079 6.3493 6.3493 6.9110 6.9110 8.1879 8.1879 8.5285 8.5285 10.9645 10.9645 11.2892 11.2892 12.7330 12.7330 k = 0.4700-0.0000-0.0000 ( 3180 PWs) bands (ev): -2.8649 -2.8649 -2.6762 -2.6762 2.2202 2.2202 2.3543 2.3543 3.6138 3.6138 3.8321 3.8321 4.3828 4.3828 4.4808 4.4808 4.8486 4.8486 4.8963 4.8963 5.4085 5.4085 5.4549 5.4549 5.6391 5.6391 5.6974 5.6974 6.4040 6.4040 6.8288 6.8288 8.2397 8.2397 8.4962 8.4962 11.0170 11.0170 11.2712 11.2712 12.8230 12.8231 k = 0.4800-0.0000-0.0000 ( 3174 PWs) bands (ev): -2.8186 -2.8186 -2.6917 -2.6917 2.2159 2.2159 2.3066 2.3066 3.6575 3.6575 3.8030 3.8030 4.3988 4.3988 4.4641 4.4641 4.8572 4.8572 4.8891 4.8891 5.4174 5.4174 5.4484 5.4484 5.6480 5.6480 5.6870 5.6870 6.4640 6.4640 6.7488 6.7488 8.2892 8.2892 8.4608 8.4608 11.0692 11.0692 11.2439 11.2439 12.9093 12.9093 k = 0.4900-0.0000-0.0000 ( 3170 PWs) bands (ev): -2.7777 -2.7777 -2.7139 -2.7139 2.2226 2.2226 2.2684 2.2684 3.6983 3.6983 3.7710 3.7710 4.4149 4.4149 4.4476 4.4476 4.8656 4.8656 4.8816 4.8816 5.4258 5.4258 5.4414 5.4414 5.6573 5.6573 5.6769 5.6769 6.5288 6.5288 6.6717 6.6717 8.3363 8.3363 8.4223 8.4223 11.1196 11.1196 11.2086 11.2086 12.9897 12.9897 k = 0.5000-0.0000-0.0000 ( 3176 PWs) bands (ev): -2.7427 -2.7427 -2.7427 -2.7427 2.2403 2.2403 2.2403 2.2403 3.7361 3.7361 3.7361 3.7361 4.4312 4.4312 4.4312 4.4312 4.8737 4.8737 4.8737 4.8737 5.4338 5.4338 5.4338 5.4338 5.6670 5.6670 5.6670 5.6670 6.5982 6.5982 6.5982 6.5982 8.3807 8.3807 8.3807 8.3807 11.1666 11.1666 11.1666 11.1666 13.0617 13.0617 k = 0.5000-0.0000-0.0000 ( 3176 PWs) bands (ev): -2.7427 -2.7427 -2.7427 -2.7427 2.2403 2.2403 2.2403 2.2403 3.7361 3.7361 3.7361 3.7361 4.4312 4.4312 4.4312 4.4312 4.8737 4.8737 4.8737 4.8737 5.4338 5.4338 5.4338 5.4338 5.6670 5.6670 5.6670 5.6670 6.5982 6.5982 6.5982 6.5982 8.3807 8.3807 8.3807 8.3807 11.1666 11.1666 11.1666 11.1666 13.0617 13.0617 k = 0.5000 0.0099-0.0000 ( 3170 PWs) bands (ev): -2.7421 -2.7421 -2.7420 -2.7420 2.2404 2.2404 2.2405 2.2405 3.7356 3.7356 3.7376 3.7376 4.4315 4.4315 4.4317 4.4317 4.8712 4.8712 4.8760 4.8760 5.4334 5.4334 5.4336 5.4336 5.6661 5.6661 5.6677 5.6677 6.5972 6.5972 6.5991 6.5991 8.3717 8.3717 8.3757 8.3757 11.1628 11.1628 11.1689 11.1689 13.0670 13.0670 k = 0.5000 0.0198-0.0000 ( 3178 PWs) bands (ev): -2.7403 -2.7403 -2.7400 -2.7400 2.2409 2.2409 2.2412 2.2412 3.7360 3.7360 3.7399 3.7399 4.4327 4.4327 4.4330 4.4330 4.8683 4.8683 4.8779 4.8779 5.4324 5.4324 5.4328 5.4328 5.6650 5.6650 5.6682 5.6682 6.5961 6.5961 6.6000 6.6000 8.3490 8.3490 8.3568 8.3568 11.1576 11.1576 11.1693 11.1693 13.0909 13.0909 k = 0.5000 0.0297-0.0000 ( 3176 PWs) bands (ev): -2.7372 -2.7372 -2.7368 -2.7368 2.2417 2.2417 2.2422 2.2422 3.7373 3.7373 3.7433 3.7433 4.4347 4.4347 4.4353 4.4353 4.8653 4.8653 4.8795 4.8795 5.4308 5.4308 5.4314 5.4314 5.6637 5.6637 5.6686 5.6686 6.5949 6.5949 6.6008 6.6008 8.3133 8.3133 8.3247 8.3247 11.1512 11.1512 11.1676 11.1676 13.1317 13.1317 k = 0.5000 0.0395-0.0000 ( 3180 PWs) bands (ev): -2.7329 -2.7329 -2.7324 -2.7324 2.2428 2.2428 2.2435 2.2435 3.7396 3.7396 3.7475 3.7475 4.4375 4.4375 4.4383 4.4383 4.8620 4.8620 4.8809 4.8809 5.4287 5.4287 5.4294 5.4294 5.6622 5.6622 5.6687 5.6687 6.5936 6.5936 6.6014 6.6014 8.2655 8.2655 8.2803 8.2803 11.1436 11.1436 11.1637 11.1637 13.1850 13.1850 k = 0.5000 0.0494-0.0000 ( 3180 PWs) bands (ev): -2.7273 -2.7273 -2.7267 -2.7267 2.2443 2.2443 2.2451 2.2451 3.7427 3.7427 3.7527 3.7527 4.4412 4.4412 4.4422 4.4422 4.8585 4.8585 4.8820 4.8820 5.4260 5.4260 5.4268 5.4268 5.6605 5.6605 5.6688 5.6688 6.5922 6.5922 6.6020 6.6020 8.2070 8.2070 8.2249 8.2249 11.1346 11.1346 11.1574 11.1574 13.2397 13.2397 k = 0.5000 0.0593-0.0000 ( 3180 PWs) bands (ev): -2.7206 -2.7206 -2.7199 -2.7199 2.2460 2.2460 2.2470 2.2470 3.7467 3.7467 3.7588 3.7588 4.4455 4.4455 4.4469 4.4469 4.8550 4.8550 4.8829 4.8829 5.4228 5.4228 5.4235 5.4235 5.6587 5.6587 5.6686 5.6686 6.5907 6.5907 6.6024 6.6024 8.1390 8.1390 8.1598 8.1598 11.1243 11.1243 11.1484 11.1484 13.2663 13.2663 k = 0.5000 0.0692-0.0000 ( 3180 PWs) bands (ev): -2.7127 -2.7127 -2.7118 -2.7118 2.2479 2.2479 2.2491 2.2491 3.7516 3.7516 3.7657 3.7657 4.4505 4.4505 4.4524 4.4524 4.8515 4.8515 4.8836 4.8836 5.4190 5.4190 5.4197 5.4197 5.6566 5.6566 5.6684 5.6684 6.5890 6.5890 6.6027 6.6027 8.0632 8.0632 8.0866 8.0866 11.1124 11.1124 11.1369 11.1369 13.2210 13.2210 k = 0.5000 0.0791-0.0000 ( 3184 PWs) bands (ev): -2.7036 -2.7036 -2.7027 -2.7027 2.2500 2.2500 2.2513 2.2513 3.7574 3.7574 3.7736 3.7736 4.4560 4.4560 4.4585 4.4585 4.8481 4.8481 4.8841 4.8841 5.4148 5.4148 5.4152 5.4152 5.6544 5.6544 5.6679 5.6679 6.5871 6.5871 6.6027 6.6027 7.9809 7.9809 8.0068 8.0068 11.0987 11.0987 11.1227 11.1227 13.1139 13.1139 k = 0.5000 0.0890-0.0000 ( 3184 PWs) bands (ev): -2.6935 -2.6935 -2.6924 -2.6924 2.2522 2.2522 2.2537 2.2537 3.7640 3.7640 3.7822 3.7822 4.4620 4.4620 4.4652 4.4652 4.8450 4.8450 4.8845 4.8845 5.4101 5.4101 5.4102 5.4102 5.6521 5.6521 5.6674 5.6674 6.5850 6.5850 6.6026 6.6026 7.8936 7.8936 7.9217 7.9217 11.0831 11.0831 11.1057 11.1057 12.9812 12.9812 k = 0.5000 0.0988-0.0000 ( 3182 PWs) bands (ev): -2.6823 -2.6823 -2.6811 -2.6811 2.2545 2.2545 2.2562 2.2562 3.7714 3.7714 3.7918 3.7918 4.4683 4.4683 4.4726 4.4726 4.8422 4.8422 4.8849 4.8849 5.4044 5.4044 5.4052 5.4052 5.6497 5.6497 5.6667 5.6667 6.5827 6.5827 6.6021 6.6021 7.8024 7.8024 7.8327 7.8327 11.0652 11.0652 11.0861 11.0861 12.8399 12.8399 k = 0.5000 0.1087-0.0000 ( 3182 PWs) bands (ev): -2.6701 -2.6701 -2.6689 -2.6689 2.2567 2.2567 2.2586 2.2586 3.7796 3.7796 3.8021 3.8021 4.4748 4.4748 4.4804 4.4804 4.8399 4.8399 4.8851 4.8851 5.3981 5.3981 5.4000 5.4000 5.6472 5.6472 5.6659 5.6659 6.5800 6.5800 6.6013 6.6013 7.7087 7.7087 7.7410 7.7410 11.0450 11.0450 11.0637 11.0637 12.6961 12.6961 k = 0.5000 0.1186-0.0000 ( 3182 PWs) bands (ev): -2.6570 -2.6570 -2.6556 -2.6556 2.2589 2.2589 2.2610 2.2610 3.7886 3.7886 3.8133 3.8133 4.4813 4.4813 4.4886 4.4886 4.8382 4.8382 4.8853 4.8853 5.3912 5.3912 5.3946 5.3946 5.6446 5.6446 5.6650 5.6650 6.5770 6.5770 6.6001 6.6001 7.6134 7.6134 7.6477 7.6477 11.0223 11.0223 11.0386 11.0386 12.5525 12.5525 k = 0.5000 0.1285-0.0000 ( 3182 PWs) bands (ev): -2.6430 -2.6430 -2.6416 -2.6416 2.2609 2.2609 2.2631 2.2631 3.7984 3.7984 3.8252 3.8252 4.4877 4.4877 4.4972 4.4972 4.8374 4.8374 4.8854 4.8854 5.3838 5.3838 5.3891 5.3891 5.6420 5.6420 5.6639 5.6639 6.5735 6.5735 6.5985 6.5985 7.5176 7.5176 7.5539 7.5539 10.9970 10.9970 11.0109 11.0109 12.4105 12.4105 k = 0.5000 0.1384-0.0000 ( 3182 PWs) bands (ev): -2.6282 -2.6282 -2.6267 -2.6267 2.2627 2.2627 2.2651 2.2651 3.8089 3.8089 3.8379 3.8379 4.4938 4.4938 4.5061 4.5061 4.8376 4.8376 4.8854 4.8854 5.3757 5.3757 5.3836 5.3836 5.6394 5.6394 5.6627 5.6627 6.5696 6.5696 6.5963 6.5963 7.4221 7.4221 7.4604 7.4604 10.9691 10.9691 10.9806 10.9806 12.2710 12.2710 k = 0.5000 0.1483-0.0000 ( 3174 PWs) bands (ev): -2.6126 -2.6126 -2.6111 -2.6111 2.2641 2.2641 2.2667 2.2667 3.8202 3.8202 3.8514 3.8514 4.4994 4.4994 4.5151 4.5151 4.8389 4.8389 4.8852 4.8852 5.3671 5.3671 5.3784 5.3784 5.6369 5.6369 5.6615 5.6615 6.5652 6.5652 6.5934 6.5934 7.3276 7.3276 7.3681 7.3681 10.9387 10.9387 10.9478 10.9478 12.1344 12.1344 k = 0.5000 0.1582-0.0000 ( 3174 PWs) bands (ev): -2.5965 -2.5965 -2.5949 -2.5949 2.2652 2.2652 2.2680 2.2680 3.8322 3.8322 3.8655 3.8655 4.5042 4.5042 4.5242 4.5242 4.8414 4.8414 4.8847 4.8847 5.3580 5.3580 5.3736 5.3736 5.6346 5.6346 5.6601 5.6601 6.5601 6.5601 6.5898 6.5898 7.2349 7.2349 7.2776 7.2776 10.9057 10.9057 10.9127 10.9127 12.0013 12.0013 k = 0.5000 0.1680-0.0000 ( 3178 PWs) bands (ev): -2.5797 -2.5797 -2.5781 -2.5781 2.2659 2.2659 2.2688 2.2688 3.8449 3.8449 3.8805 3.8805 4.5082 4.5082 4.5333 4.5333 4.8451 4.8451 4.8838 4.8838 5.3483 5.3483 5.3692 5.3692 5.6324 5.6324 5.6586 5.6586 6.5543 6.5543 6.5854 6.5854 7.1446 7.1446 7.1896 7.1896 10.8703 10.8703 10.8755 10.8755 11.8719 11.8719 k = 0.5000 0.1779-0.0000 ( 3182 PWs) bands (ev): -2.5625 -2.5625 -2.5609 -2.5609 2.2660 2.2660 2.2691 2.2691 3.8584 3.8584 3.8962 3.8962 4.5112 4.5112 4.5423 4.5423 4.8501 4.8501 4.8822 4.8822 5.3381 5.3381 5.3653 5.3653 5.6307 5.6307 5.6572 5.6572 6.5478 6.5478 6.5798 6.5798 7.0573 7.0573 7.1047 7.1047 10.8327 10.8327 10.8363 10.8363 11.7466 11.7466 k = 0.5000 0.1878-0.0000 ( 3174 PWs) bands (ev): -2.5450 -2.5450 -2.5433 -2.5433 2.2656 2.2656 2.2689 2.2689 3.8727 3.8727 3.9126 3.9126 4.5133 4.5133 4.5513 4.5513 4.8563 4.8563 4.8800 4.8800 5.3273 5.3273 5.3621 5.3621 5.6295 5.6295 5.6560 5.6560 6.5403 6.5403 6.5731 6.5731 6.9736 6.9736 7.0235 7.0235 10.7931 10.7931 10.7954 10.7954 11.6256 11.6256 k = 0.5000 0.1977-0.0000 ( 3178 PWs) bands (ev): -2.5271 -2.5271 -2.5255 -2.5255 2.2646 2.2646 2.2680 2.2680 3.8876 3.8876 3.9297 3.9297 4.5143 4.5143 4.5600 4.5600 4.8634 4.8634 4.8769 4.8769 5.3160 5.3160 5.3594 5.3594 5.6290 5.6290 5.6550 5.6550 6.5317 6.5317 6.5648 6.5648 6.8939 6.8939 6.9466 6.9466 10.7518 10.7518 10.7532 10.7532 11.5092 11.5092 k = 0.5000 0.2076-0.0000 ( 3178 PWs) bands (ev): -2.5092 -2.5092 -2.5075 -2.5075 2.2631 2.2631 2.2666 2.2666 3.9033 3.9033 3.9475 3.9475 4.5142 4.5142 4.5685 4.5685 4.8715 4.8715 4.8728 4.8728 5.3040 5.3040 5.3572 5.3572 5.6294 5.6294 5.6545 5.6545 6.5220 6.5220 6.5547 6.5547 6.8188 6.8188 6.8747 6.8747 10.7091 10.7091 10.7098 10.7098 11.3976 11.3976 k = 0.5000 0.2175-0.0000 ( 3178 PWs) bands (ev): -2.4912 -2.4912 -2.4895 -2.4895 2.2609 2.2609 2.2645 2.2645 3.9197 3.9197 3.9660 3.9660 4.5131 4.5131 4.5767 4.5767 4.8676 4.8676 4.8801 4.8801 5.2914 5.2914 5.3551 5.3551 5.6310 5.6310 5.6548 5.6548 6.5108 6.5108 6.5422 6.5422 6.7488 6.7488 6.8083 6.8083 10.6653 10.6653 10.6658 10.6658 11.2911 11.2911 k = 0.5000 0.2274-0.0000 ( 3174 PWs) bands (ev): -2.4732 -2.4732 -2.4716 -2.4716 2.2581 2.2581 2.2618 2.2618 3.9368 3.9368 3.9853 3.9853 4.5111 4.5111 4.5845 4.5845 4.8613 4.8613 4.8892 4.8892 5.2781 5.2781 5.3528 5.3528 5.6340 5.6340 5.6564 5.6564 6.4977 6.4977 6.5267 6.5267 6.6845 6.6845 6.7483 6.7483 10.6209 10.6209 10.6213 10.6213 11.1898 11.1898 k = 0.5000 0.2372-0.0000 ( 3174 PWs) bands (ev): -2.4555 -2.4555 -2.4539 -2.4539 2.2548 2.2548 2.2585 2.2585 3.9547 3.9547 4.0052 4.0052 4.5082 4.5082 4.5918 4.5918 4.8540 4.8540 4.8983 4.8983 5.2639 5.2639 5.3498 5.3498 5.6387 5.6387 5.6595 5.6595 6.4821 6.4821 6.5074 6.5074 6.6269 6.6269 6.6956 6.6956 10.5761 10.5761 10.5768 10.5768 11.0939 11.0939 k = 0.5000 0.2471-0.0000 ( 3172 PWs) bands (ev): -2.4381 -2.4381 -2.4365 -2.4365 2.2510 2.2510 2.2546 2.2546 3.9731 3.9731 4.0257 4.0257 4.5045 4.5045 4.5983 4.5983 4.8460 4.8460 4.9074 4.9074 5.2488 5.2488 5.3455 5.3455 5.6452 5.6452 5.6647 5.6647 6.4629 6.4629 6.4836 6.4836 6.5771 6.5771 6.6509 6.6509 10.5314 10.5314 10.5327 10.5327 11.0037 11.0037 k = 0.5000 0.2570-0.0000 ( 3174 PWs) bands (ev): -2.4212 -2.4212 -2.4197 -2.4197 2.2467 2.2467 2.2503 2.2503 3.9922 3.9922 4.0467 4.0467 4.4999 4.4999 4.6039 4.6039 4.8376 4.8376 4.9161 4.9161 5.2329 5.2329 5.3394 5.3394 5.6538 5.6538 5.6722 5.6722 6.4391 6.4391 6.4556 6.4556 6.5363 6.5363 6.6140 6.6140 10.4873 10.4873 10.4893 10.4893 10.9193 10.9193 k = 0.5000 0.2669-0.0000 ( 3176 PWs) bands (ev): -2.4048 -2.4048 -2.4034 -2.4034 2.2420 2.2420 2.2455 2.2455 4.0118 4.0118 4.0683 4.0683 4.4946 4.4946 4.6081 4.6081 4.8294 4.8294 4.9245 4.9245 5.2162 5.2162 5.3311 5.3311 5.6646 5.6646 5.6824 5.6824 6.4108 6.4108 6.4245 6.4245 6.5043 6.5043 6.5836 6.5836 10.4442 10.4442 10.4470 10.4470 10.8409 10.8409 k = 0.5000 0.2768-0.0000 ( 3168 PWs) bands (ev): -2.3892 -2.3892 -2.3878 -2.3878 2.2371 2.2371 2.2405 2.2405 4.0319 4.0319 4.0902 4.0902 4.4887 4.4887 4.6104 4.6104 4.8221 4.8221 4.9324 4.9324 5.1987 5.1987 5.3204 5.3204 5.6776 5.6776 5.6952 5.6952 6.3803 6.3803 6.3923 6.3923 6.4790 6.4790 6.5578 6.5578 10.4024 10.4024 10.4062 10.4062 10.7686 10.7686 k = 0.5000 0.2867-0.0000 ( 3172 PWs) bands (ev): -2.3744 -2.3744 -2.3731 -2.3731 2.2321 2.2321 2.2353 2.2353 4.0524 4.0524 4.1123 4.1123 4.4822 4.4822 4.6101 4.6101 4.8164 4.8164 4.9397 4.9397 5.1807 5.1807 5.3072 5.3072 5.6926 5.6926 5.7103 5.7103 6.3501 6.3501 6.3607 6.3607 6.4578 6.4578 6.5349 6.5349 10.3626 10.3626 10.3673 10.3673 10.7026 10.7026 k = 0.5000 0.2965-0.0000 ( 3172 PWs) bands (ev): -2.3606 -2.3606 -2.3594 -2.3594 2.2270 2.2270 2.2300 2.2300 4.0732 4.0732 4.1345 4.1345 4.4751 4.4751 4.6069 4.6069 4.8132 4.8132 4.9463 4.9463 5.1626 5.1626 5.2919 5.2919 5.7095 5.7095 5.7274 5.7274 6.3220 6.3220 6.3308 6.3308 6.4388 6.4388 6.5135 6.5135 10.3251 10.3251 10.3305 10.3305 10.6430 10.6430 k = 0.5000 0.3064-0.0000 ( 3176 PWs) bands (ev): -2.3479 -2.3479 -2.3468 -2.3468 2.2220 2.2220 2.2248 2.2248 4.0941 4.0941 4.1563 4.1563 4.4678 4.4678 4.6002 4.6002 4.8130 4.8130 4.9520 4.9520 5.1449 5.1449 5.2747 5.2747 5.7278 5.7278 5.7459 5.7459 6.2967 6.2967 6.3033 6.3033 6.4214 6.4214 6.4930 6.4930 10.2903 10.2903 10.2963 10.2963 10.5898 10.5898 k = 0.5000 0.3163-0.0000 ( 3184 PWs) bands (ev): -2.3363 -2.3363 -2.3353 -2.3353 2.2172 2.2172 2.2197 2.2197 4.1150 4.1150 4.1773 4.1773 4.4606 4.4606 4.5901 4.5901 4.8160 4.8160 4.9564 4.9564 5.1284 5.1284 5.2562 5.2562 5.7471 5.7471 5.7652 5.7652 6.2745 6.2745 6.2785 6.2785 6.4054 6.4054 6.4732 6.4732 10.2587 10.2587 10.2649 10.2649 10.5431 10.5431 k = 0.5000 0.3262-0.0000 ( 3188 PWs) bands (ev): -2.3261 -2.3261 -2.3252 -2.3252 2.2128 2.2128 2.2150 2.2150 4.1357 4.1357 4.1971 4.1971 4.4539 4.4539 4.5769 4.5769 4.8222 4.8222 4.9587 4.9587 5.1142 5.1142 5.2366 5.2366 5.7669 5.7669 5.7844 5.7844 6.2552 6.2552 6.2568 6.2568 6.3911 6.3911 6.4539 6.4539 10.2306 10.2306 10.2369 10.2369 10.5028 10.5028 k = 0.5000 0.3361-0.0000 ( 3192 PWs) bands (ev): -2.3172 -2.3172 -2.3165 -2.3165 2.2089 2.2089 2.2108 2.2108 4.1559 4.1559 4.2147 4.2147 4.4485 4.4485 4.5612 4.5612 4.8313 4.8313 4.9580 4.9580 5.1037 5.1037 5.2166 5.2166 5.7863 5.7863 5.8027 5.8027 6.2381 6.2381 6.2385 6.2385 6.3789 6.3789 6.4353 6.4353 10.2065 10.2065 10.2124 10.2124 10.4691 10.4691 k = 0.5000 0.3460-0.0000 ( 3192 PWs) bands (ev): -2.3098 -2.3098 -2.3092 -2.3092 2.2055 2.2055 2.2071 2.2071 4.1754 4.1754 4.2290 4.2290 4.4453 4.4453 4.5438 4.5438 4.8427 4.8427 4.9535 4.9535 5.0982 5.0982 5.1966 5.1966 5.8047 5.8047 5.8192 5.8192 6.2226 6.2226 6.2244 6.2244 6.3695 6.3695 6.4177 6.4177 10.1865 10.1865 10.1917 10.1917 10.4418 10.4418 k = 0.5000 0.3559-0.0000 ( 3192 PWs) bands (ev): -2.3040 -2.3040 -2.3035 -2.3035 2.2029 2.2029 2.2041 2.2041 4.1936 4.1936 4.2389 4.2389 4.4456 4.4456 4.5253 4.5253 4.8560 4.8560 4.9449 4.9449 5.0983 5.0983 5.1771 5.1771 5.8211 5.8211 5.8329 5.8329 6.2104 6.2104 6.2128 6.2128 6.3633 6.3633 6.4016 6.4016 10.1709 10.1709 10.1751 10.1751 10.4210 10.4210 k = 0.5000 0.3657-0.0000 ( 3196 PWs) bands (ev): -2.2998 -2.2998 -2.2995 -2.2995 2.2010 2.2010 2.2018 2.2018 4.2102 4.2102 4.2433 4.2433 4.4502 4.4502 4.5067 4.5067 4.8707 4.8707 4.9327 4.9327 5.1036 5.1036 5.1585 5.1585 5.8345 5.8345 5.8428 5.8428 6.2017 6.2017 6.2039 6.2039 6.3608 6.3608 6.3875 6.3875 10.1599 10.1599 10.1629 10.1629 10.4065 10.4065 k = 0.5000 0.3756-0.0000 ( 3192 PWs) bands (ev): -2.2972 -2.2972 -2.2970 -2.2970 2.1999 2.1999 2.2003 2.2003 4.2244 4.2244 4.2420 4.2420 4.4594 4.4594 4.4888 4.4888 4.8864 4.8864 4.9182 4.9182 5.1131 5.1131 5.1413 5.1413 5.8440 5.8440 5.8483 5.8483 6.1967 6.1967 6.1980 6.1980 6.3621 6.3621 6.3758 6.3758 10.1536 10.1536 10.1551 10.1551 10.3983 10.3983 k = 0.5000 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.2963 -2.2963 -2.2963 -2.2963 2.1997 2.1997 2.1997 2.1997 4.2353 4.2353 4.2353 4.2353 4.4726 4.4726 4.4726 4.4726 4.9025 4.9025 4.9025 4.9025 5.1260 5.1260 5.1260 5.1260 5.8487 5.8487 5.8487 5.8487 6.1955 6.1955 6.1955 6.1955 6.3672 6.3672 6.3672 6.3672 10.1520 10.1520 10.1520 10.1520 10.3964 10.3964 k = 0.5000 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.2963 -2.2963 -2.2963 -2.2963 2.1997 2.1997 2.1997 2.1997 4.2353 4.2353 4.2353 4.2353 4.4726 4.4726 4.4726 4.4726 4.9025 4.9025 4.9025 4.9025 5.1260 5.1260 5.1260 5.1260 5.8487 5.8487 5.8487 5.8487 6.1955 6.1955 6.1955 6.1955 6.3672 6.3672 6.3672 6.3672 10.1520 10.1520 10.1520 10.1520 10.3964 10.3964 k = 0.4900 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.3004 -2.3004 -2.2990 -2.2990 2.2038 2.2038 2.2046 2.2046 4.2316 4.2316 4.2384 4.2384 4.4682 4.4682 4.4767 4.4767 4.8968 4.8968 4.9061 4.9061 5.1237 5.1237 5.1278 5.1278 5.8371 5.8371 5.8552 5.8552 6.1928 6.1928 6.1933 6.1933 6.3591 6.3591 6.3807 6.3807 10.1474 10.1474 10.1625 10.1625 10.3955 10.3955 k = 0.4800 0.3855-0.0000 ( 3192 PWs) bands (ev): -2.3114 -2.3114 -2.3086 -2.3086 2.2168 2.2168 2.2185 2.2185 4.2270 4.2270 4.2408 4.2408 4.4632 4.4632 4.4802 4.4802 4.8893 4.8893 4.9075 4.9075 5.1210 5.1210 5.1290 5.1290 5.8206 5.8206 5.8566 5.8566 6.1852 6.1852 6.1876 6.1876 6.3575 6.3575 6.3969 6.3969 10.1500 10.1500 10.1783 10.1783 10.4099 10.4099 k = 0.4700 0.3855-0.0000 ( 3200 PWs) bands (ev): -2.3291 -2.3291 -2.3249 -2.3249 2.2386 2.2386 2.2410 2.2410 4.2215 4.2215 4.2425 4.2425 4.4578 4.4578 4.4833 4.4833 4.8802 4.8802 4.9066 4.9066 5.1182 5.1182 5.1295 5.1295 5.7994 5.7994 5.8529 5.8529 6.1727 6.1727 6.1822 6.1822 6.3612 6.3612 6.4135 6.4135 10.1610 10.1610 10.1996 10.1996 10.4390 10.4390 k = 0.4600 0.3855-0.0000 ( 3200 PWs) bands (ev): -2.3531 -2.3531 -2.3477 -2.3477 2.2686 2.2686 2.2715 2.2715 4.2151 4.2151 4.2438 4.2438 4.4518 4.4518 4.4860 4.4860 4.8699 4.8699 4.9034 4.9034 5.1154 5.1154 5.1293 5.1293 5.7743 5.7743 5.8443 5.8443 6.1585 6.1585 6.1783 6.1783 6.3678 6.3678 6.4287 6.4287 10.1814 10.1814 10.2274 10.2274 10.4813 10.4813 k = 0.4500 0.3855-0.0000 ( 3196 PWs) bands (ev): -2.3831 -2.3831 -2.3764 -2.3764 2.3063 2.3063 2.3094 2.3094 4.2076 4.2076 4.2446 4.2446 4.4454 4.4454 4.4883 4.4883 4.8586 4.8586 4.8979 4.8979 5.1127 5.1127 5.1282 5.1282 5.7461 5.7461 5.8308 5.8308 6.1452 6.1452 6.1766 6.1766 6.3753 6.3753 6.4412 6.4412 10.2121 10.2121 10.2631 10.2631 10.5350 10.5350 k = 0.4400 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.4186 -2.4186 -2.4109 -2.4109 2.3507 2.3507 2.3537 2.3537 4.1991 4.1991 4.2450 4.2450 4.4383 4.4383 4.4902 4.4902 4.8469 4.8469 4.8902 4.8902 5.1102 5.1102 5.1262 5.1262 5.7157 5.7157 5.8130 5.8130 6.1345 6.1345 6.1775 6.1775 6.3818 6.3818 6.4504 6.4504 10.2533 10.2533 10.3076 10.3076 10.5984 10.5984 k = 0.4300 0.3855-0.0000 ( 3184 PWs) bands (ev): -2.4592 -2.4592 -2.4504 -2.4504 2.4009 2.4009 2.4036 2.4036 4.1894 4.1894 4.2450 4.2450 4.4307 4.4307 4.4915 4.4915 4.8350 4.8350 4.8807 4.8807 5.1079 5.1079 5.1233 5.1233 5.6842 5.6842 5.7917 5.7917 6.1273 6.1273 6.1810 6.1810 6.3866 6.3866 6.4559 6.4559 10.3053 10.3053 10.3615 10.3615 10.6698 10.6698 k = 0.4200 0.3855-0.0000 ( 3180 PWs) bands (ev): -2.5042 -2.5042 -2.4946 -2.4946 2.4559 2.4559 2.4577 2.4577 4.1785 4.1785 4.2448 4.2448 4.4226 4.4226 4.4924 4.4924 4.8236 4.8236 4.8697 4.8697 5.1059 5.1059 5.1195 5.1195 5.6527 5.6527 5.7681 5.7681 6.1238 6.1238 6.1873 6.1873 6.3891 6.3891 6.4576 6.4576 10.3678 10.3678 10.4253 10.4253 10.7480 10.7480 k = 0.4100 0.3855-0.0000 ( 3180 PWs) bands (ev): -2.5532 -2.5532 -2.5428 -2.5428 2.5142 2.5142 2.5147 2.5147 4.1666 4.1666 4.2445 4.2445 4.4140 4.4140 4.4927 4.4927 4.8130 4.8130 4.8576 4.8576 5.1041 5.1041 5.1146 5.1146 5.6220 5.6220 5.7434 5.7434 6.1239 6.1239 6.1962 6.1962 6.3893 6.3893 6.4556 6.4556 10.4406 10.4406 10.4989 10.4989 10.8320 10.8320 k = 0.4000 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.6057 -2.6057 -2.5946 -2.5946 2.5732 2.5732 2.5745 2.5745 4.1538 4.1538 4.2442 4.2442 4.4049 4.4049 4.4925 4.4925 4.8037 4.8037 4.8449 4.8449 5.1026 5.1026 5.1088 5.1088 5.5931 5.5931 5.7187 5.7187 6.1271 6.1271 6.2077 6.2077 6.3873 6.3873 6.4501 6.4501 10.5232 10.5232 10.5820 10.5820 10.9206 10.9206 k = 0.3900 0.3855-0.0000 ( 3184 PWs) bands (ev): -2.6610 -2.6610 -2.6493 -2.6493 2.6316 2.6316 2.6353 2.6353 4.1402 4.1402 4.2438 4.2438 4.3959 4.3959 4.4919 4.4919 4.7963 4.7963 4.8323 4.8323 5.1014 5.1014 5.1022 5.1022 5.5667 5.5667 5.6950 5.6950 6.1333 6.1333 6.2219 6.2219 6.3837 6.3837 6.4416 6.4416 10.6149 10.6149 10.6741 10.6741 11.0131 11.0131 k = 0.3800 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.7188 -2.7188 -2.7066 -2.7066 2.6884 2.6884 2.6948 2.6948 4.1261 4.1261 4.2433 4.2433 4.3872 4.3872 4.4909 4.4909 4.7910 4.7910 4.8200 4.8200 5.0948 5.0948 5.1005 5.1005 5.5432 5.5432 5.6731 5.6731 6.1417 6.1417 6.2385 6.2385 6.3792 6.3792 6.4308 6.4308 10.7148 10.7148 10.7747 10.7747 11.1088 11.1088 k = 0.3700 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.7784 -2.7784 -2.7659 -2.7659 2.7418 2.7418 2.7515 2.7515 4.1118 4.1118 4.2420 4.2420 4.3798 4.3798 4.4898 4.4898 4.7880 4.7880 4.8088 4.8088 5.0870 5.0870 5.1000 5.1000 5.5234 5.5234 5.6536 5.6536 6.1518 6.1518 6.2574 6.2574 6.3752 6.3752 6.4187 6.4187 10.8222 10.8222 10.8828 10.8828 11.2072 11.2072 k = 0.3600 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.8396 -2.8396 -2.8268 -2.8268 2.7903 2.7903 2.8035 2.8035 4.0976 4.0976 4.2390 4.2390 4.3752 4.3752 4.4891 4.4891 4.7875 4.7875 4.7988 4.7988 5.0788 5.0788 5.0998 5.0998 5.5075 5.5075 5.6371 5.6371 6.1623 6.1623 6.2774 6.2774 6.3735 6.3735 6.4073 6.4073 10.9357 10.9357 10.9973 10.9973 11.3079 11.3079 k = 0.3500 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.9018 -2.9018 -2.8888 -2.8888 2.8324 2.8324 2.8492 2.8492 4.0838 4.0838 4.2329 4.2329 4.3748 4.3748 4.4890 4.4890 4.7891 4.7891 4.7905 4.7905 5.0708 5.0708 5.1001 5.1001 5.4956 5.4956 5.6239 5.6239 6.1715 6.1715 6.2949 6.2949 6.3769 6.3769 6.4011 6.4011 11.0541 11.0541 11.1166 11.1166 11.4111 11.4111 k = 0.3400 0.3855-0.0000 ( 3192 PWs) bands (ev): -2.9648 -2.9648 -2.9516 -2.9516 2.8669 2.8669 2.8873 2.8873 4.0702 4.0702 4.2226 4.2226 4.3800 4.3800 4.4902 4.4902 4.7839 4.7839 4.7924 4.7924 5.0633 5.0633 5.1007 5.1007 5.4882 5.4882 5.6142 5.6142 6.1769 6.1769 6.3023 6.3023 6.3886 6.3886 6.4087 6.4087 11.1755 11.1755 11.2386 11.2386 11.5173 11.5173 k = 0.3300 0.3855-0.0000 ( 3194 PWs) bands (ev): -3.0281 -3.0281 -3.0149 -3.0149 2.8933 2.8933 2.9167 2.9167 4.0568 4.0568 4.2077 4.2077 4.3908 4.3908 4.4930 4.4930 4.7790 4.7790 4.7969 4.7969 5.0569 5.0569 5.1018 5.1018 5.4850 5.4850 5.6082 5.6082 6.1769 6.1769 6.2956 6.2956 6.4117 6.4117 6.4352 6.4352 11.2979 11.2979 11.3602 11.3602 11.6284 11.6284 k = 0.3200 0.3855-0.0000 ( 3190 PWs) bands (ev): -3.0915 -3.0915 -3.0782 -3.0782 2.9110 2.9110 2.9369 2.9369 4.0432 4.0432 4.1887 4.1887 4.4065 4.4065 4.4979 4.4979 4.7758 4.7758 4.8018 4.8018 5.0521 5.0521 5.1032 5.1032 5.4862 5.4862 5.6057 5.6057 6.1709 6.1709 6.2796 6.2796 6.4478 6.4478 6.4770 6.4770 11.4186 11.4186 11.4773 11.4773 11.7468 11.7468 k = 0.3100 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.1546 -3.1546 -3.1414 -3.1414 2.9202 2.9202 2.9479 2.9479 4.0291 4.0291 4.1663 4.1663 4.4257 4.4257 4.5050 4.5050 4.7741 4.7741 4.8062 4.8062 5.0492 5.0492 5.1051 5.1051 5.4915 5.4915 5.6067 5.6067 6.1599 6.1599 6.2592 6.2592 6.4971 6.4971 6.5306 6.5306 11.5346 11.5346 11.5860 11.5860 11.8752 11.8752 k = 0.3000 0.3855-0.0000 ( 3182 PWs) bands (ev): -3.2173 -3.2173 -3.2042 -3.2042 2.9214 2.9214 2.9499 2.9499 4.0138 4.0138 4.1411 4.1411 4.4472 4.4472 4.5144 4.5144 4.7733 4.7733 4.8094 4.8094 5.0485 5.0485 5.1071 5.1071 5.5004 5.5004 5.6106 5.6106 6.1453 6.1453 6.2364 6.2364 6.5595 6.5595 6.5947 6.5947 11.6429 11.6429 11.6838 11.6838 12.0147 12.0147 k = 0.2900 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.2793 -3.2793 -3.2664 -3.2664 2.9153 2.9153 2.9439 2.9439 3.9971 3.9971 4.1139 4.1139 4.4697 4.4697 4.5257 4.5257 4.7734 4.7734 4.8108 4.8108 5.0501 5.0501 5.1094 5.1094 5.5126 5.5126 5.6171 5.6171 6.1281 6.1281 6.2125 6.2125 6.6348 6.6348 6.6696 6.6696 11.7413 11.7413 11.7701 11.7701 12.1646 12.1646 k = 0.2800 0.3855-0.0000 ( 3170 PWs) bands (ev): -3.3404 -3.3404 -3.3277 -3.3277 2.9027 2.9027 2.9309 2.9309 3.9787 3.9787 4.0850 4.0850 4.4923 4.4923 4.5387 4.5387 4.7739 4.7739 4.8104 4.8104 5.0535 5.0535 5.1118 5.1118 5.5274 5.5274 5.6255 5.6255 6.1093 6.1093 6.1879 6.1879 6.7229 6.7229 6.7554 6.7554 11.8286 11.8286 11.8457 11.8457 12.3232 12.3232 k = 0.2700 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.4004 -3.4004 -3.3879 -3.3879 2.8847 2.8847 2.9118 2.9118 3.9585 3.9585 4.0549 4.0549 4.5142 4.5142 4.5530 4.5530 4.7746 4.7746 4.8079 4.8079 5.0583 5.0583 5.1143 5.1143 5.5440 5.5440 5.6352 5.6352 6.0892 6.0892 6.1629 6.1629 6.8235 6.8235 6.8526 6.8526 11.9046 11.9046 11.9115 11.9115 12.4885 12.4885 k = 0.2600 0.3855-0.0000 ( 3182 PWs) bands (ev): -3.4592 -3.4592 -3.4470 -3.4470 2.8621 2.8621 2.8879 2.8879 3.9367 3.9367 4.0238 4.0238 4.5352 4.5352 4.5682 4.5682 4.7753 4.7753 4.8039 4.8039 5.0640 5.0640 5.1168 5.1168 5.5617 5.5617 5.6457 5.6457 6.0684 6.0684 6.1378 6.1378 6.9365 6.9365 6.9611 6.9611 11.9683 11.9683 11.9698 11.9698 12.6587 12.6587 k = 0.2500 0.3855-0.0000 ( 3186 PWs) bands (ev): -3.5166 -3.5166 -3.5046 -3.5046 2.8360 2.8360 2.8601 2.8601 3.9135 3.9135 3.9921 3.9921 4.5550 4.5550 4.5840 4.5840 4.7758 4.7758 4.7985 4.7985 5.0702 5.0702 5.1194 5.1194 5.5796 5.5796 5.6565 5.6565 6.0472 6.0472 6.1127 6.1127 7.0611 7.0611 7.0807 7.0807 12.0167 12.0167 12.0249 12.0249 12.8324 12.8324 k = 0.2400 0.3855-0.0000 ( 3182 PWs) bands (ev): -3.5724 -3.5724 -3.5608 -3.5608 2.8071 2.8071 2.8294 2.8294 3.8890 3.8890 3.9601 3.9601 4.5734 4.5734 4.6002 4.6002 4.7761 4.7761 4.7922 4.7922 5.0766 5.0766 5.1221 5.1221 5.5973 5.5973 5.6671 5.6671 6.0258 6.0258 6.0879 6.0879 7.1967 7.1967 7.2112 7.2112 12.0575 12.0575 12.0709 12.0709 13.0079 13.0079 k = 0.2300 0.3855-0.0000 ( 3186 PWs) bands (ev): -3.6267 -3.6267 -3.6154 -3.6154 2.7760 2.7760 2.7966 2.7966 3.8636 3.8636 3.9279 3.9279 4.5904 4.5904 4.6165 4.6165 4.7762 4.7762 4.7851 4.7851 5.0829 5.0829 5.1248 5.1248 5.6142 5.6142 5.6773 5.6773 6.0044 6.0044 6.0633 6.0633 7.3425 7.3425 7.3518 7.3518 12.0912 12.0912 12.1086 12.1086 13.1835 13.1835 k = 0.2200 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.6791 -3.6791 -3.6682 -3.6682 2.7435 2.7435 2.7624 2.7624 3.8376 3.8376 3.8957 3.8957 4.6061 4.6061 4.6329 4.6329 4.7764 4.7764 4.7778 4.7778 5.0891 5.0891 5.1276 5.1276 5.6300 5.6300 5.6868 5.6868 5.9830 5.9830 6.0392 6.0392 7.4974 7.4974 7.5018 7.5018 12.1185 12.1185 12.1390 12.1390 13.3571 13.3571 k = 0.2100 0.3855-0.0000 ( 3174 PWs) bands (ev): -3.7297 -3.7297 -3.7192 -3.7192 2.7101 2.7101 2.7273 2.7273 3.8112 3.8112 3.8639 3.8639 4.6204 4.6204 4.6491 4.6491 4.7701 4.7701 4.7767 4.7767 5.0951 5.0951 5.1306 5.1306 5.6444 5.6444 5.6956 5.6956 5.9619 5.9619 6.0155 6.0155 7.6602 7.6602 7.6606 7.6606 12.1400 12.1400 12.1628 12.1628 13.5258 13.5258 k = 0.2000 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.7784 -3.7784 -3.7683 -3.7683 2.6763 2.6763 2.6918 2.6918 3.7847 3.7847 3.8325 3.8325 4.6330 4.6330 4.6651 4.6651 4.7624 4.7624 4.7772 4.7772 5.1009 5.1009 5.1337 5.1337 5.6574 5.6574 5.7035 5.7035 5.9411 5.9411 5.9924 5.9924 7.8262 7.8262 7.8310 7.8310 12.1565 12.1565 12.1810 12.1810 13.6858 13.6858 k = 0.1900 0.3855-0.0000 ( 3174 PWs) bands (ev): -3.8251 -3.8251 -3.8154 -3.8154 2.6424 2.6424 2.6564 2.6564 3.7583 3.7583 3.8017 3.8017 4.6441 4.6441 4.6809 4.6809 4.7548 4.7548 4.7784 4.7784 5.1066 5.1066 5.1369 5.1369 5.6689 5.6689 5.7105 5.7105 5.9209 5.9209 5.9700 5.9700 7.9988 7.9988 8.0075 8.0075 12.1686 12.1686 12.1944 12.1944 13.8248 13.8248 k = 0.1800 0.3855-0.0000 ( 3178 PWs) bands (ev): -3.8697 -3.8697 -3.8604 -3.8604 2.6089 2.6089 2.6215 2.6215 3.7322 3.7322 3.7716 3.7716 4.6534 4.6534 4.6962 4.6962 4.7475 4.7475 4.7805 4.7805 5.1120 5.1120 5.1402 5.1402 5.6788 5.6788 5.7165 5.7165 5.9012 5.9012 5.9484 5.9484 8.1769 8.1769 8.1894 8.1894 12.1769 12.1769 12.2036 12.2036 13.9433 13.9433 k = 0.1700 0.3855-0.0000 ( 3176 PWs) bands (ev): -3.9122 -3.9122 -3.9033 -3.9033 2.5759 2.5759 2.5873 2.5873 3.7067 3.7067 3.7425 3.7425 4.6609 4.6609 4.7106 4.7106 4.7410 4.7410 4.7836 4.7836 5.1175 5.1175 5.1437 5.1437 5.6873 5.6873 5.7215 5.7215 5.8823 5.8823 5.9276 5.9276 8.3596 8.3596 8.3755 8.3755 12.1821 12.1821 12.2095 12.2095 14.0382 14.0382 k = 0.1600 0.3855-0.0000 ( 3180 PWs) bands (ev): -3.9524 -3.9524 -3.9441 -3.9441 2.5439 2.5439 2.5540 2.5540 3.6818 3.6818 3.7143 3.7143 4.6665 4.6665 4.7211 4.7211 4.7382 4.7382 4.7879 4.7879 5.1228 5.1228 5.1473 5.1473 5.6942 5.6942 5.7254 5.7254 5.8643 5.8643 5.9078 5.9078 8.5459 8.5459 8.5648 8.5648 12.1848 12.1848 12.2127 12.2127 14.1081 14.1081 k = 0.1500 0.3855-0.0000 ( 3172 PWs) bands (ev): -3.9904 -3.9904 -3.9826 -3.9826 2.5130 2.5130 2.5220 2.5220 3.6579 3.6579 3.6874 3.6874 4.6703 4.6703 4.7208 4.7208 4.7461 4.7461 4.7934 4.7934 5.1281 5.1281 5.1510 5.1510 5.6996 5.6996 5.7279 5.7279 5.8477 5.8477 5.8893 5.8893 8.7348 8.7348 8.7565 8.7565 12.1854 12.1854 12.2137 12.2137 14.1546 14.1546 k = 0.1400 0.3855-0.0000 ( 3174 PWs) bands (ev): -4.0262 -4.0262 -4.0188 -4.0188 2.4833 2.4833 2.4913 2.4913 3.6349 3.6349 3.6616 3.6616 4.6726 4.6726 4.7154 4.7154 4.7588 4.7588 4.7998 4.7998 5.1333 5.1333 5.1549 5.1549 5.7032 5.7032 5.7288 5.7288 5.8328 5.8328 5.8722 5.8722 8.9252 8.9252 8.9493 8.9493 12.1847 12.1847 12.2131 12.2131 14.1820 14.1820 k = 0.1300 0.3855-0.0000 ( 3174 PWs) bands (ev): -4.0596 -4.0596 -4.0527 -4.0527 2.4552 2.4552 2.4623 2.4623 3.6131 3.6131 3.6372 3.6372 4.6735 4.6735 4.7094 4.7094 4.7719 4.7719 4.8069 4.8069 5.1385 5.1385 5.1587 5.1587 5.7052 5.7052 5.7277 5.7277 5.8201 5.8201 5.8568 5.8568 9.1160 9.1160 9.1422 9.1422 12.1828 12.1828 12.2113 12.2113 14.1952 14.1952 k = 0.1200 0.3855-0.0000 ( 3182 PWs) bands (ev): -4.0906 -4.0906 -4.0842 -4.0842 2.4286 2.4286 2.4349 2.4349 3.5925 3.5925 3.6143 3.6143 4.6734 4.6734 4.7034 4.7034 4.7846 4.7846 4.8146 4.8146 5.1437 5.1437 5.1627 5.1627 5.7052 5.7052 5.7243 5.7243 5.8099 5.8099 5.8432 5.8432 9.3059 9.3059 9.3338 9.3338 12.1804 12.1804 12.2089 12.2089 14.1985 14.1985 k = 0.1100 0.3855-0.0000 ( 3186 PWs) bands (ev): -4.1192 -4.1192 -4.1133 -4.1133 2.4038 2.4038 2.4093 2.4093 3.5733 3.5733 3.5928 3.5928 4.6727 4.6727 4.6977 4.6977 4.7969 4.7969 4.8224 4.8224 5.1488 5.1488 5.1666 5.1666 5.7034 5.7034 5.7186 5.7186 5.8025 5.8025 5.8317 5.8317 9.4934 9.4934 9.5228 9.5228 12.1778 12.1778 12.2062 12.2062 14.1951 14.1951 k = 0.1000 0.3855-0.0000 ( 3186 PWs) bands (ev): -4.1454 -4.1454 -4.1401 -4.1401 2.3808 2.3808 2.3857 2.3857 3.5556 3.5556 3.5730 3.5730 4.6715 4.6715 4.6924 4.6924 4.8084 4.8084 4.8301 4.8301 5.1540 5.1540 5.1705 5.1705 5.6998 5.6998 5.7108 5.7108 5.7977 5.7977 5.8224 5.8224 9.6771 9.6771 9.7076 9.7076 12.1754 12.1754 12.2034 12.2034 14.1875 14.1875 k = 0.0900 0.3855-0.0000 ( 3182 PWs) bands (ev): -4.1692 -4.1692 -4.1643 -4.1643 2.3598 2.3598 2.3640 2.3640 3.5394 3.5394 3.5547 3.5547 4.6700 4.6700 4.6875 4.6875 4.8193 4.8193 4.8377 4.8377 5.1590 5.1590 5.1742 5.1742 5.6946 5.6946 5.7018 5.7018 5.7949 5.7949 5.8152 5.8152 9.8552 9.8552 9.8863 9.8863 12.1734 12.1734 12.2010 12.2010 14.1775 14.1775 k = 0.0800 0.3855-0.0000 ( 3178 PWs) bands (ev): -4.1905 -4.1905 -4.1861 -4.1861 2.3409 2.3409 2.3445 2.3445 3.5248 3.5248 3.5382 3.5382 4.6685 4.6685 4.6830 4.6830 4.8292 4.8292 4.8448 4.8448 5.1639 5.1639 5.1778 5.1778 5.6881 5.6881 5.6923 5.6923 5.7935 5.7935 5.8098 5.8098 10.0256 10.0256 10.0567 10.0567 12.1722 12.1722 12.1991 12.1991 14.1663 14.1663 k = 0.0700 0.3855-0.0000 ( 3178 PWs) bands (ev): -4.2092 -4.2092 -4.2054 -4.2054 2.3240 2.3240 2.3270 2.3270 3.5118 3.5118 3.5234 3.5234 4.6669 4.6669 4.6789 4.6789 4.8383 4.8383 4.8513 4.8513 5.1685 5.1685 5.1811 5.1811 5.6810 5.6810 5.6828 5.6828 5.7929 5.7929 5.8059 5.8059 10.1861 10.1861 10.2166 10.2166 12.1721 12.1721 12.1979 12.1979 14.1548 14.1548 k = 0.0600 0.3855-0.0000 ( 3178 PWs) bands (ev): -4.2255 -4.2255 -4.2222 -4.2222 2.3093 2.3093 2.3118 2.3118 3.5006 3.5006 3.5104 3.5104 4.6654 4.6654 4.6752 4.6752 4.8464 4.8464 4.8570 4.8570 5.1730 5.1730 5.1840 5.1840 5.6737 5.6737 5.6739 5.6739 5.7929 5.7929 5.8031 5.8031 10.3340 10.3340 10.3632 10.3632 12.1731 12.1731 12.1973 12.1973 14.1437 14.1437 k = 0.0500 0.3855-0.0000 ( 3178 PWs) bands (ev): -4.2393 -4.2393 -4.2365 -4.2365 2.2968 2.2968 2.2989 2.2989 3.4911 3.4911 3.4993 3.4993 4.6642 4.6642 4.6720 4.6720 4.8534 4.8534 4.8620 4.8620 5.1771 5.1771 5.1865 5.1865 5.6659 5.6659 5.6667 5.6667 5.7932 5.7932 5.8011 5.8011 10.4668 10.4668 10.4936 10.4936 12.1755 12.1755 12.1975 12.1975 14.1334 14.1334 k = 0.0400 0.3855-0.0000 ( 3182 PWs) bands (ev): -4.2505 -4.2505 -4.2483 -4.2483 2.2865 2.2865 2.2882 2.2882 3.4835 3.4835 3.4899 3.4899 4.6632 4.6632 4.6692 4.6692 4.8593 4.8593 4.8660 4.8660 5.1808 5.1808 5.1885 5.1885 5.6592 5.6592 5.6604 5.6604 5.7937 5.7937 5.7996 5.7996 10.5814 10.5814 10.6048 10.6048 12.1790 12.1790 12.1980 12.1980 14.1245 14.1245 k = 0.0300 0.3855-0.0000 ( 3176 PWs) bands (ev): -4.2591 -4.2591 -4.2575 -4.2575 2.2786 2.2786 2.2798 2.2798 3.4777 3.4777 3.4825 3.4825 4.6625 4.6625 4.6669 4.6669 4.8641 4.8641 4.8690 4.8690 5.1840 5.1840 5.1899 5.1899 5.6539 5.6539 5.6551 5.6551 5.7942 5.7942 5.7985 5.7985 10.6751 10.6751 10.6940 10.6940 12.1833 12.1833 12.1986 12.1986 14.1173 14.1173 k = 0.0200 0.3855-0.0000 ( 3176 PWs) bands (ev): -4.2653 -4.2653 -4.2642 -4.2642 2.2729 2.2729 2.2737 2.2737 3.4738 3.4738 3.4770 3.4770 4.6622 4.6622 4.6651 4.6651 4.8678 4.8678 4.8710 4.8710 5.1867 5.1867 5.1907 5.1907 5.6500 5.6500 5.6510 5.6510 5.7949 5.7949 5.7976 5.7976 10.7452 10.7452 10.7585 10.7585 12.1880 12.1880 12.1988 12.1988 14.1121 14.1121 k = 0.0100 0.3855-0.0000 ( 3176 PWs) bands (ev): -4.2688 -4.2688 -4.2683 -4.2683 2.2696 2.2696 2.2700 2.2700 3.4717 3.4717 3.4733 3.4733 4.6623 4.6623 4.6637 4.6637 4.8703 4.8703 4.8719 4.8719 5.1887 5.1887 5.1907 5.1907 5.6478 5.6478 5.6483 5.6483 5.7955 5.7955 5.7969 5.7969 10.7897 10.7897 10.7966 10.7966 12.1923 12.1923 12.1979 12.1979 14.1092 14.1092 k = 0.0000 0.3855-0.0000 ( 3180 PWs) bands (ev): -4.2698 -4.2698 -4.2698 -4.2698 2.2686 2.2686 2.2686 2.2686 3.4716 3.4716 3.4716 3.4716 4.6628 4.6628 4.6628 4.6628 4.8716 4.8716 4.8716 4.8716 5.1901 5.1901 5.1901 5.1901 5.6472 5.6472 5.6472 5.6472 5.7962 5.7962 5.7962 5.7962 10.8071 10.8071 10.8071 10.8071 12.1958 12.1958 12.1958 12.1958 14.1087 14.1087 k = 0.0000 0.3855-0.0000 ( 3180 PWs) bands (ev): -4.2698 -4.2698 -4.2698 -4.2698 2.2686 2.2686 2.2686 2.2686 3.4716 3.4716 3.4716 3.4716 4.6628 4.6628 4.6628 4.6628 4.8716 4.8716 4.8716 4.8716 5.1901 5.1901 5.1901 5.1901 5.6472 5.6472 5.6472 5.6472 5.7962 5.7962 5.7962 5.7962 10.8071 10.8071 10.8071 10.8071 12.1958 12.1958 12.1958 12.1958 14.1087 14.1087 k = 0.0000 0.3756-0.0000 ( 3172 PWs) bands (ev): -4.2945 -4.2945 -4.2465 -4.2465 2.2552 2.2552 2.2846 2.2846 3.4161 3.4161 3.5272 3.5272 4.6531 4.6531 4.6733 4.6733 4.8543 4.8543 4.8900 4.8900 5.1882 5.1882 5.1955 5.1955 5.6302 5.6302 5.6640 5.6640 5.7778 5.7778 5.8152 5.8152 10.7805 10.7805 10.8320 10.8320 12.1706 12.1706 12.2119 12.2119 14.0831 14.0831 k = 0.0000 0.3657-0.0000 ( 3176 PWs) bands (ev): -4.3205 -4.3205 -4.2247 -4.2247 2.2438 2.2438 2.3038 2.3038 3.3619 3.3619 3.5820 3.5820 4.6442 4.6442 4.6846 4.6846 4.8377 4.8377 4.9091 4.9091 5.1894 5.1894 5.2050 5.2050 5.6129 5.6129 5.6801 5.6801 5.7603 5.7603 5.8350 5.8350 10.7525 10.7525 10.8553 10.8553 12.1377 12.1377 12.2180 12.2180 14.0717 14.0717 k = 0.0000 0.3559-0.0000 ( 3180 PWs) bands (ev): -4.3477 -4.3477 -4.2044 -4.2044 2.2337 2.2337 2.3265 2.3265 3.3100 3.3100 3.6351 3.6351 4.6362 4.6362 4.6965 4.6965 4.8220 4.8220 4.9292 4.9292 5.1934 5.1934 5.2189 5.2189 5.5955 5.5955 5.6947 5.6947 5.7444 5.7444 5.8555 5.8555 10.7230 10.7230 10.8769 10.8769 12.0983 12.0983 12.2137 12.2137 14.0746 14.0746 k = 0.0000 0.3460-0.0000 ( 3186 PWs) bands (ev): -4.3760 -4.3760 -4.1857 -4.1857 2.2240 2.2240 2.3530 2.3530 3.2615 3.2615 3.6855 3.6855 4.6292 4.6292 4.7088 4.7088 4.8070 4.8070 4.9503 4.9503 5.1997 5.1997 5.2378 5.2378 5.5779 5.5779 5.7036 5.7036 5.7343 5.7343 5.8769 5.8769 10.6922 10.6922 10.8967 10.8967 12.0538 12.0538 12.1991 12.1991 14.0918 14.0918 k = 0.0000 0.3361-0.0000 ( 3180 PWs) bands (ev): -4.4052 -4.4052 -4.1687 -4.1687 2.2139 2.2139 2.3836 2.3836 3.2175 3.2175 3.7326 3.7326 4.6232 4.6232 4.7216 4.7216 4.7929 4.7929 4.9721 4.9721 5.2081 5.2081 5.2624 5.2624 5.5604 5.5604 5.6973 5.6973 5.7395 5.7395 5.8996 5.8996 10.6601 10.6601 10.9148 10.9148 12.0054 12.0054 12.1746 12.1746 14.1225 14.1225 k = 0.0000 0.3262-0.0000 ( 3180 PWs) bands (ev): -4.4353 -4.4353 -4.1532 -4.1532 2.2024 2.2024 2.4186 2.4186 3.1792 3.1792 3.7756 3.7756 4.6182 4.6182 4.7343 4.7343 4.7798 4.7798 4.9945 4.9945 5.2181 5.2181 5.2932 5.2932 5.5427 5.5427 5.6828 5.6828 5.7528 5.7528 5.9235 5.9235 10.6268 10.6268 10.9311 10.9311 11.9543 11.9543 12.1413 12.1413 14.1654 14.1654 k = 0.0000 0.3163-0.0000 ( 3180 PWs) bands (ev): -4.4662 -4.4662 -4.1394 -4.1394 2.1885 2.1885 2.4579 2.4579 3.1475 3.1475 3.8142 3.8142 4.6142 4.6142 4.7454 4.7454 4.7693 4.7693 5.0171 5.0171 5.2294 5.2294 5.3303 5.3303 5.5252 5.5252 5.6667 5.6667 5.7679 5.7679 5.9488 5.9488 10.5925 10.5925 10.9455 10.9455 11.9014 11.9014 12.1002 12.1002 14.2190 14.2190 k = 0.0000 0.3064-0.0000 ( 3180 PWs) bands (ev): -4.4976 -4.4976 -4.1273 -4.1273 2.1714 2.1714 2.5017 2.5017 3.1233 3.1233 3.8480 3.8480 4.6113 4.6113 4.7467 4.7467 4.7693 4.7693 5.0397 5.0397 5.2419 5.2419 5.3740 5.3740 5.5078 5.5078 5.6504 5.6504 5.7835 5.7835 5.9759 5.9759 10.5572 10.5572 10.9580 10.9580 11.8475 11.8475 12.0527 12.0527 14.2815 14.2815 k = 0.0000 0.2965-0.0000 ( 3186 PWs) bands (ev): -4.5295 -4.5295 -4.1168 -4.1168 2.1505 2.1505 2.5500 2.5500 3.1071 3.1071 3.8769 3.8769 4.6094 4.6094 4.7379 4.7379 4.7802 4.7802 5.0621 5.0621 5.2550 5.2550 5.4239 5.4239 5.4905 5.4905 5.6345 5.6345 5.7992 5.7992 6.0048 6.0048 10.5210 10.5210 10.9686 10.9686 11.7933 11.7933 12.0000 12.0000 14.3511 14.3511 k = 0.0000 0.2867-0.0000 ( 3182 PWs) bands (ev): -4.5617 -4.5617 -4.1079 -4.1079 2.1255 2.1255 2.6027 2.6027 3.0992 3.0992 3.9012 3.9012 4.6087 4.6087 4.7276 4.7276 4.7934 4.7934 5.0840 5.0840 5.2687 5.2687 5.4725 5.4725 5.4799 5.4799 5.6200 5.6200 5.8153 5.8153 6.0360 6.0360 10.4841 10.4841 10.9774 10.9774 11.7392 11.7392 11.9433 11.9433 14.4257 14.4257 k = 0.0000 0.2768-0.0000 ( 3190 PWs) bands (ev): -4.5941 -4.5941 -4.1005 -4.1005 2.0964 2.0964 2.6597 2.6597 3.0995 3.0995 3.9209 3.9209 4.6091 4.6091 4.7174 4.7174 4.8068 4.8068 5.1052 5.1052 5.2824 5.2824 5.4568 5.4568 5.5336 5.5336 5.6115 5.6115 5.8317 5.8317 6.0696 6.0696 10.4466 10.4466 10.9841 10.9841 11.6855 11.6855 11.8838 11.8838 14.5029 14.5029 k = 0.0000 0.2669-0.0000 ( 3197 PWs) bands (ev): -4.6266 -4.6266 -4.0946 -4.0946 2.0637 2.0637 2.7208 2.7208 3.1076 3.1076 3.9366 3.9366 4.6105 4.6105 4.7079 4.7079 4.8200 4.8200 5.1257 5.1257 5.2960 5.2960 5.4411 5.4411 5.5609 5.5609 5.6349 5.6349 5.8489 5.8489 6.1060 6.1060 10.4087 10.4087 10.9889 10.9889 11.6324 11.6324 11.8224 11.8224 14.5798 14.5798 k = 0.0000 0.2570-0.0000 ( 3203 PWs) bands (ev): -4.6590 -4.6590 -4.0900 -4.0900 2.0277 2.0277 2.7856 2.7856 3.1228 3.1228 3.9487 3.9487 4.6131 4.6131 4.6992 4.6992 4.8330 4.8330 5.1453 5.1453 5.3088 5.3088 5.4264 5.4264 5.5546 5.5546 5.6950 5.6950 5.8681 5.8681 6.1455 6.1455 10.3703 10.3703 10.9917 10.9917 11.5798 11.5798 11.7601 11.7601 14.6524 14.6524 k = 0.0000 0.2471-0.0000 ( 3213 PWs) bands (ev): -4.6912 -4.6912 -4.0868 -4.0868 1.9892 1.9892 2.8538 2.8538 3.1444 3.1444 3.9577 3.9577 4.6166 4.6166 4.6914 4.6914 4.8455 4.8455 5.1639 5.1639 5.3198 5.3198 5.4136 5.4136 5.5416 5.5416 5.7614 5.7614 5.8919 5.8919 6.1882 6.1882 10.3318 10.3318 10.9924 10.9924 11.5274 11.5274 11.6982 11.6982 14.7078 14.7078 k = 0.0000 0.2372-0.0000 ( 3205 PWs) bands (ev): -4.7231 -4.7231 -4.0849 -4.0849 1.9488 1.9488 2.9247 2.9247 3.1720 3.1720 3.9643 3.9643 4.6210 4.6210 4.6847 4.6847 4.8574 4.8574 5.1814 5.1814 5.3279 5.3279 5.4038 5.4038 5.5280 5.5280 5.8204 5.8204 5.9276 5.9276 6.2350 6.2350 10.2931 10.2931 10.9910 10.9910 11.4746 11.4746 11.6379 11.6379 14.5952 14.5952 k = 0.0000 0.2274-0.0000 ( 3201 PWs) bands (ev): -4.7545 -4.7545 -4.0840 -4.0840 1.9071 1.9071 2.9974 2.9974 3.2050 3.2050 3.9691 3.9691 4.6260 4.6260 4.6794 4.6794 4.8685 4.8685 5.1972 5.1972 5.3315 5.3315 5.3982 5.3982 5.5155 5.5155 5.8612 5.8612 5.9837 5.9837 6.2858 6.2858 10.2545 10.2545 10.9874 10.9874 11.4204 11.4204 11.5805 11.5805 14.3784 14.3784 k = 0.0000 0.2175-0.0000 ( 3205 PWs) bands (ev): -4.7854 -4.7854 -4.0842 -4.0842 1.8648 1.8648 3.0703 3.0703 3.2437 3.2437 3.9726 3.9726 4.6309 4.6309 4.6761 4.6761 4.8787 4.8787 5.2109 5.2109 5.3304 5.3304 5.3963 5.3963 5.5052 5.5052 5.8873 5.8873 6.0556 6.0556 6.3411 6.3411 10.2161 10.2161 10.9812 10.9812 11.3641 11.3641 11.5275 11.5275 14.1500 14.1500 k = 0.0000 0.2076-0.0000 ( 3207 PWs) bands (ev): -4.8157 -4.8157 -4.0853 -4.0853 1.8224 1.8224 3.1414 3.1414 3.2886 3.2886 3.9757 3.9757 4.6346 4.6346 4.6761 4.6761 4.8880 4.8880 5.2215 5.2215 5.3271 5.3271 5.3953 5.3953 5.4986 5.4986 5.9070 5.9070 6.1340 6.1340 6.4014 6.4014 10.1780 10.1780 10.9720 10.9720 11.3054 11.3054 11.4797 11.4797 13.9201 13.9201 k = 0.0000 0.1977-0.0000 ( 3215 PWs) bands (ev): -4.8452 -4.8452 -4.0872 -4.0872 1.7803 1.7803 3.2078 3.2078 3.3411 3.3411 3.9791 3.9791 4.6361 4.6361 4.6802 4.6802 4.8963 4.8963 5.2280 5.2280 5.3245 5.3245 5.3924 5.3924 5.4968 5.4968 5.9238 5.9238 6.2142 6.2142 6.4667 6.4667 10.1403 10.1403 10.9591 10.9591 11.2449 11.2449 11.4371 11.4371 13.6929 13.6929 k = 0.0000 0.1878-0.0000 ( 3219 PWs) bands (ev): -4.8739 -4.8739 -4.0898 -4.0898 1.7388 1.7388 3.2671 3.2671 3.4016 3.4016 3.9838 3.9838 4.6356 4.6356 4.6885 4.6885 4.9035 4.9035 5.2295 5.2295 5.3248 5.3248 5.3863 5.3863 5.5000 5.5000 5.9393 5.9393 6.2937 6.2937 6.5375 6.5375 10.1032 10.1032 10.9407 10.9407 11.1846 11.1846 11.3994 11.3994 13.4707 13.4707 k = 0.0000 0.1779-0.0000 ( 3219 PWs) bands (ev): -4.9016 -4.9016 -4.0930 -4.0930 1.6984 1.6984 3.3196 3.3196 3.4676 3.4676 3.9915 3.9915 4.6339 4.6339 4.7002 4.7002 4.9097 4.9097 5.2264 5.2264 5.3282 5.3282 5.3779 5.3779 5.5069 5.5069 5.9539 5.9539 6.3715 6.3715 6.6135 6.6135 10.0668 10.0668 10.9141 10.9141 11.1277 11.1277 11.3658 11.3658 13.2553 13.2553 k = 0.0000 0.1680-0.0000 ( 3207 PWs) bands (ev): -4.9282 -4.9282 -4.0967 -4.0967 1.6592 1.6592 3.3672 3.3672 3.5346 3.5346 4.0039 4.0039 4.6318 4.6318 4.7145 4.7145 4.9148 4.9148 5.2198 5.2198 5.3327 5.3327 5.3695 5.3695 5.5164 5.5164 5.9680 5.9680 6.4467 6.4467 6.6945 6.6945 10.0312 10.0312 10.8755 10.8755 11.0783 11.0783 11.3356 11.3356 13.0481 13.0481 k = 0.0000 0.1582-0.0000 ( 3207 PWs) bands (ev): -4.9538 -4.9538 -4.1008 -4.1008 1.6215 1.6215 3.4111 3.4111 3.5974 3.5974 4.0233 4.0233 4.6297 4.6297 4.7308 4.7308 4.9191 4.9191 5.2114 5.2114 5.3346 5.3346 5.3646 5.3646 5.5270 5.5270 5.9816 5.9816 6.5187 6.5187 6.7799 6.7799 9.9965 9.9965 10.8227 10.8227 11.0385 11.0385 11.3082 11.3082 12.8508 12.8508 k = 0.0000 0.1483-0.0000 ( 3207 PWs) bands (ev): -4.9782 -4.9782 -4.1052 -4.1052 1.5854 1.5854 3.4525 3.4525 3.6515 3.6515 4.0524 4.0524 4.6278 4.6278 4.7488 4.7488 4.9226 4.9226 5.2021 5.2021 5.3302 5.3302 5.3669 5.3669 5.5381 5.5381 5.9946 5.9946 6.5871 6.5871 6.8694 6.8694 9.9629 9.9629 10.7570 10.7570 11.0065 11.0065 11.2833 11.2833 12.6648 12.6648 k = 0.0000 0.1384-0.0000 ( 3205 PWs) bands (ev): -5.0013 -5.0013 -4.1097 -4.1097 1.5512 1.5512 3.4918 3.4918 3.6940 3.6940 4.0926 4.0926 4.6262 4.6262 4.7682 4.7682 4.9257 4.9257 5.1929 5.1929 5.3226 5.3226 5.3738 5.3738 5.5494 5.5494 6.0071 6.0071 6.6512 6.6512 6.9624 6.9624 9.9303 9.9303 10.6819 10.6819 10.9780 10.9780 11.2607 11.2607 12.4918 12.4918 k = 0.0000 0.1285-0.0000 ( 3213 PWs) bands (ev): -5.0231 -5.0231 -4.1144 -4.1144 1.5189 1.5189 3.5290 3.5290 3.7242 3.7242 4.1426 4.1426 4.6248 4.6248 4.7881 4.7881 4.9288 4.9288 5.1840 5.1840 5.3155 5.3155 5.3822 5.3822 5.5605 5.5605 6.0191 6.0191 6.7103 6.7103 7.0585 7.0585 9.8988 9.8988 10.6001 10.6001 10.9490 10.9490 11.2407 11.2407 12.3338 12.3338 k = 0.0000 0.1186-0.0000 ( 3207 PWs) bands (ev): -5.0435 -5.0435 -4.1191 -4.1191 1.4886 1.4886 3.5641 3.5641 3.7441 3.7441 4.1992 4.1992 4.6240 4.6240 4.8072 4.8072 4.9328 4.9328 5.1760 5.1760 5.3114 5.3114 5.3910 5.3910 5.5712 5.5712 6.0308 6.0308 6.7637 6.7637 7.1576 7.1576 9.8683 9.8683 10.5138 10.5138 10.9160 10.9160 11.2239 11.2239 12.1924 12.1924 k = 0.0000 0.1087-0.0000 ( 3211 PWs) bands (ev): -5.0625 -5.0625 -4.1237 -4.1237 1.4605 1.4605 3.5969 3.5969 3.7566 3.7566 4.2585 4.2585 4.6234 4.6234 4.8238 4.8238 4.9383 4.9383 5.1687 5.1687 5.3120 5.3120 5.3995 5.3995 5.5815 5.5815 6.0417 6.0417 6.8105 6.8105 7.2591 7.2591 9.8386 9.8386 10.4244 10.4244 10.8765 10.8765 11.2108 11.2108 12.0691 12.0691 k = 0.0000 0.0988-0.0000 ( 3215 PWs) bands (ev): -5.0800 -5.0800 -4.1282 -4.1282 1.4346 1.4346 3.6272 3.6272 3.7643 3.7643 4.3169 4.3169 4.6232 4.6232 4.8359 4.8359 4.9461 4.9461 5.1619 5.1619 5.3196 5.3196 5.4079 5.4079 5.5913 5.5913 6.0519 6.0519 6.8501 6.8501 7.3628 7.3628 9.8095 9.8095 10.3334 10.3334 10.8295 10.8295 11.2018 11.2018 11.9646 11.9646 k = 0.0000 0.0890-0.0000 ( 3219 PWs) bands (ev): -5.0960 -5.0960 -4.1324 -4.1324 1.4110 1.4110 3.6549 3.6549 3.7689 3.7689 4.3719 4.3719 4.6233 4.6233 4.8425 4.8425 4.9554 4.9554 5.1554 5.1554 5.3356 5.3356 5.4162 5.4162 5.6006 5.6006 6.0613 6.0613 6.8820 6.8820 7.4679 7.4679 9.7801 9.7801 10.2422 10.2422 10.7751 10.7751 11.1968 11.1968 11.8788 11.8788 k = 0.0000 0.0791-0.0000 ( 3221 PWs) bands (ev): -5.1104 -5.1104 -4.1364 -4.1364 1.3898 1.3898 3.6796 3.6796 3.7720 3.7720 4.4219 4.4219 4.6240 4.6240 4.8440 4.8440 4.9645 4.9645 5.1489 5.1489 5.3601 5.3601 5.4251 5.4251 5.6096 5.6096 6.0701 6.0701 6.9060 6.9060 7.5737 7.5737 9.7492 9.7492 10.1534 10.1534 10.7153 10.7153 11.1954 11.1954 11.8105 11.8105 k = 0.0000 0.0692-0.0000 ( 3217 PWs) bands (ev): -5.1231 -5.1231 -4.1400 -4.1400 1.3709 1.3709 3.7008 3.7008 3.7745 3.7745 4.4663 4.4663 4.6250 4.6250 4.8415 4.8415 4.9720 4.9720 5.1423 5.1423 5.3894 5.3894 5.4373 5.4373 5.6187 5.6187 6.0778 6.0778 6.9223 6.9223 7.6790 7.6790 9.7150 9.7150 10.0702 10.0702 10.6531 10.6531 11.1966 11.1966 11.7577 11.7577 k = 0.0000 0.0593-0.0000 ( 3219 PWs) bands (ev): -5.1343 -5.1343 -4.1433 -4.1433 1.3545 1.3545 3.7179 3.7179 3.7775 3.7775 4.5046 4.5046 4.6267 4.6267 4.8362 4.8362 4.9772 4.9772 5.1358 5.1358 5.4126 5.4126 5.4604 5.4604 5.6281 5.6281 6.0848 6.0848 6.9314 6.9314 7.7821 7.7821 9.6747 9.6747 9.9968 9.9968 10.5916 10.5916 11.1995 11.1995 11.7180 11.7180 k = 0.0000 0.0494-0.0000 ( 3217 PWs) bands (ev): -5.1438 -5.1438 -4.1461 -4.1461 1.3406 1.3406 3.7304 3.7304 3.7819 3.7819 4.5367 4.5367 4.6294 4.6294 4.8291 4.8291 4.9802 4.9802 5.1296 5.1296 5.4243 5.4243 5.4952 5.4952 5.6385 5.6385 6.0908 6.0908 6.9343 6.9343 7.8810 7.8810 9.6266 9.6266 9.9374 9.9374 10.5341 10.5341 11.2034 11.2034 11.6889 11.6889 k = 0.0000 0.0395-0.0000 ( 3217 PWs) bands (ev): -5.1515 -5.1515 -4.1485 -4.1485 1.3292 1.3292 3.7383 3.7383 3.7876 3.7876 4.5621 4.5621 4.6335 4.6335 4.8210 4.8210 4.9818 4.9818 5.1243 5.1243 5.4306 5.4306 5.5305 5.5305 5.6512 5.6512 6.0957 6.0957 6.9326 6.9326 7.9726 7.9726 9.5717 9.5717 9.8938 9.8938 10.4833 10.4833 11.2075 11.2075 11.6683 11.6683 k = 0.0000 0.0297-0.0000 ( 3209 PWs) bands (ev): -5.1576 -5.1576 -4.1504 -4.1504 1.3203 1.3203 3.7428 3.7428 3.7938 3.7938 4.5803 4.5803 4.6396 4.6396 4.8127 4.8127 4.9824 4.9824 5.1198 5.1198 5.4346 5.4346 5.5585 5.5585 5.6669 5.6669 6.0998 6.0998 6.9280 6.9280 8.0529 8.0529 9.5157 9.5157 9.8644 9.8644 10.4416 10.4416 11.2112 11.2112 11.6543 11.6543 k = 0.0000 0.0198-0.0000 ( 3209 PWs) bands (ev): -5.1619 -5.1619 -4.1517 -4.1517 1.3139 1.3139 3.7450 3.7450 3.7991 3.7991 4.5913 4.5913 4.6470 4.6470 4.8052 4.8052 4.9825 4.9825 5.1165 5.1165 5.4372 5.4372 5.5764 5.5764 5.6836 5.6836 6.1026 6.1026 6.9227 6.9227 8.1168 8.1168 9.4666 9.4666 9.8461 9.8461 10.4106 10.4106 11.2142 11.2142 11.6453 11.6453 k = 0.0000 0.0099-0.0000 ( 3211 PWs) bands (ev): -5.1646 -5.1646 -4.1525 -4.1525 1.3101 1.3101 3.7460 3.7460 3.8026 3.8026 4.5968 4.5968 4.6533 4.6533 4.7998 4.7998 4.9824 4.9824 5.1144 5.1144 5.4387 5.4387 5.5857 5.5857 5.6964 5.6964 6.1043 6.1043 6.9186 6.9186 8.1584 8.1584 9.4329 9.4329 9.8361 9.8361 10.3915 10.3915 11.2160 11.2160 11.6404 11.6404 k = 0.0000 0.0000 0.0000 ( 3209 PWs) bands (ev): -5.1654 -5.1654 -4.1528 -4.1528 1.3088 1.3088 3.7463 3.7463 3.8039 3.8039 4.5985 4.5985 4.6558 4.6558 4.7978 4.7978 4.9823 4.9823 5.1137 5.1137 5.4392 5.4392 5.5886 5.5886 5.7013 5.7013 6.1049 6.1049 6.9170 6.9170 8.1730 8.1730 9.4208 9.4208 9.8329 9.8329 10.3851 10.3851 11.2166 11.2166 11.6388 11.6388 k = 0.0000 0.0000 0.0000 ( 3209 PWs) bands (ev): -5.1654 -5.1654 -4.1528 -4.1528 1.3088 1.3088 3.7463 3.7463 3.8039 3.8039 4.5985 4.5985 4.6558 4.6558 4.7978 4.7978 4.9823 4.9823 5.1137 5.1137 5.4392 5.4392 5.5886 5.5886 5.7013 5.7013 6.1049 6.1049 6.9170 6.9170 8.1730 8.1730 9.4208 9.4208 9.8329 9.8329 10.3851 10.3851 11.2166 11.2166 11.6388 11.6388 k = 0.0000 0.0000 0.0099 ( 3215 PWs) bands (ev): -5.1645 -5.1645 -4.1544 -4.1544 1.3120 1.3120 3.7447 3.7447 3.8032 3.8032 4.5989 4.5989 4.6561 4.6561 4.7963 4.7963 4.9840 4.9840 5.1137 5.1137 5.4393 5.4393 5.5888 5.5888 5.7016 5.7016 6.1048 6.1048 6.9104 6.9104 8.1691 8.1691 9.4279 9.4279 9.8351 9.8351 10.3867 10.3867 11.2147 11.2147 11.6445 11.6445 k = 0.0000 0.0000 0.0197 ( 3215 PWs) bands (ev): -5.1619 -5.1619 -4.1590 -4.1590 1.3215 1.3215 3.7400 3.7400 3.8012 3.8012 4.6001 4.6001 4.6571 4.6571 4.7919 4.7919 4.9885 4.9885 5.1141 5.1141 5.4394 5.4394 5.5894 5.5894 5.7027 5.7027 6.1048 6.1048 6.8907 6.8907 8.1577 8.1577 9.4486 9.4486 9.8416 9.8416 10.3917 10.3917 11.2092 11.2092 11.6613 11.6613 k = 0.0000 0.0000 0.0296 ( 3205 PWs) bands (ev): -5.1574 -5.1574 -4.1666 -4.1666 1.3373 1.3373 3.7322 3.7322 3.7981 3.7981 4.6019 4.6019 4.6588 4.6588 4.7853 4.7853 4.9957 4.9957 5.1150 5.1150 5.4396 5.4396 5.5905 5.5905 5.7046 5.7046 6.1047 6.1047 6.8591 6.8591 8.1392 8.1392 9.4811 9.4811 9.8529 9.8529 10.4002 10.4002 11.2001 11.2001 11.6888 11.6888 k = 0.0000 0.0000 0.0394 ( 3207 PWs) bands (ev): -5.1512 -5.1512 -4.1772 -4.1772 1.3593 1.3593 3.7210 3.7210 3.7939 3.7939 4.6042 4.6042 4.6610 4.6610 4.7770 4.7770 5.0046 5.0046 5.1161 5.1161 5.4399 5.4399 5.5919 5.5919 5.7073 5.7073 6.1046 6.1046 6.8169 6.8169 8.1143 8.1143 9.5228 9.5228 9.8693 9.8693 10.4124 10.4124 11.1878 11.1878 11.7263 11.7263 k = 0.0000 0.0000 0.0493 ( 3205 PWs) bands (ev): -5.1433 -5.1433 -4.1906 -4.1906 1.3873 1.3873 3.7063 3.7063 3.7887 3.7887 4.6067 4.6067 4.6636 4.6636 4.7680 4.7680 5.0147 5.0147 5.1179 5.1179 5.4402 5.4402 5.5936 5.5936 5.7108 5.7108 6.1045 6.1045 6.7660 6.7660 8.0837 8.0837 9.5703 9.5703 9.8918 9.8918 10.4288 10.4288 11.1728 11.1728 11.7731 11.7731 k = 0.0000 0.0000 0.0592 ( 3207 PWs) bands (ev): -5.1336 -5.1336 -4.2067 -4.2067 1.4211 1.4211 3.6881 3.6881 3.7827 3.7827 4.6091 4.6091 4.6661 4.6661 4.7593 4.7593 5.0253 5.0253 5.1203 5.1203 5.4407 5.4407 5.5956 5.5956 5.7153 5.7153 6.1044 6.1044 6.7081 6.7081 8.0483 8.0483 9.6197 9.6197 9.9211 9.9211 10.4499 10.4499 11.1552 11.1552 11.8283 11.8283 k = 0.0000 0.0000 0.0690 ( 3203 PWs) bands (ev): -5.1222 -5.1222 -4.2253 -4.2253 1.4605 1.4605 3.6660 3.6660 3.7761 3.7761 4.6114 4.6114 4.6677 4.6677 4.7520 4.7520 5.0358 5.0358 5.1239 5.1239 5.4412 5.4412 5.5977 5.5977 5.7207 5.7207 6.1042 6.1042 6.6452 6.6452 8.0089 8.0089 9.6675 9.6675 9.9574 9.9574 10.4761 10.4761 11.1355 11.1355 11.8909 11.8909 k = 0.0000 0.0000 0.0789 ( 3207 PWs) bands (ev): -5.1092 -5.1092 -4.2463 -4.2463 1.5051 1.5051 3.6400 3.6400 3.7691 3.7691 4.6134 4.6134 4.6673 4.6673 4.7473 4.7473 5.0457 5.0457 5.1287 5.1287 5.4418 5.4418 5.5998 5.5998 5.7272 5.7272 6.1039 6.1039 6.5790 6.5790 7.9664 7.9664 9.7115 9.7115 10.0001 10.0001 10.5081 10.5081 11.1140 11.1140 11.9598 11.9598 k = 0.0000 0.0000 0.0887 ( 3210 PWs) bands (ev): -5.0945 -5.0945 -4.2694 -4.2694 1.5548 1.5548 3.6099 3.6099 3.7618 3.7618 4.6150 4.6150 4.6642 4.6642 4.7461 4.7461 5.0543 5.0543 5.1353 5.1353 5.4425 5.4425 5.6020 5.6020 5.7346 5.7346 6.1035 6.1035 6.5112 6.5112 7.9216 7.9216 9.7508 9.7508 10.0469 10.0469 10.5460 10.5460 11.0914 11.0914 12.0338 12.0338 k = 0.0000 0.0000 0.0986 ( 3218 PWs) bands (ev): -5.0783 -5.0783 -4.2944 -4.2944 1.6090 1.6090 3.5756 3.5756 3.7543 3.7543 4.6163 4.6163 4.6582 4.6582 4.7485 4.7485 5.0614 5.0614 5.1437 5.1437 5.4432 5.4432 5.6042 5.6042 5.7432 5.7432 6.1030 6.1030 6.4431 6.4431 7.8752 7.8752 9.7860 9.7860 10.0949 10.0949 10.5893 10.5893 11.0684 11.0684 12.1111 12.1111 k = 0.0000 0.0000 0.1085 ( 3220 PWs) bands (ev): -5.0605 -5.0605 -4.3212 -4.3212 1.6674 1.6674 3.5371 3.5371 3.7469 3.7469 4.6173 4.6173 4.6502 4.6502 4.7537 4.7537 5.0669 5.0669 5.1538 5.1538 5.4441 5.4441 5.6063 5.6063 5.7527 5.7527 6.1022 6.1022 6.3760 6.3760 7.8281 7.8281 9.8180 9.8180 10.1415 10.1415 10.6362 10.6362 11.0458 11.0458 12.1880 12.1880 k = 0.0000 0.0000 0.1183 ( 3218 PWs) bands (ev): -5.0413 -5.0413 -4.3494 -4.3494 1.7296 1.7296 3.4944 3.4944 3.7396 3.7396 4.6180 4.6180 4.6413 4.6413 4.7606 4.7606 5.0711 5.0711 5.1653 5.1653 5.4451 5.4451 5.6083 5.6083 5.7631 5.7631 6.1009 6.1009 6.3112 6.3112 7.7811 7.7811 9.8479 9.8479 10.1849 10.1849 10.6836 10.6836 11.0252 11.0252 12.2515 12.2515 k = 0.0000 0.0000 0.1282 ( 3216 PWs) bands (ev): -5.0207 -5.0207 -4.3788 -4.3788 1.7951 1.7951 3.4475 3.4475 3.7325 3.7325 4.6183 4.6183 4.6322 4.6322 4.7684 4.7684 5.0741 5.0741 5.1778 5.1778 5.4463 5.4463 5.6102 5.6102 5.7743 5.7743 6.0987 6.0987 6.2501 6.2501 7.7348 7.7348 9.8763 9.8763 10.2245 10.2245 10.7266 10.7266 11.0088 11.0088 12.2672 12.2672 k = 0.0000 0.0000 0.1380 ( 3216 PWs) bands (ev): -4.9989 -4.9989 -4.4092 -4.4092 1.8633 1.8633 3.3968 3.3968 3.7258 3.7258 4.6168 4.6168 4.6248 4.6248 4.7766 4.7766 5.0762 5.0762 5.1908 5.1908 5.4477 5.4477 5.6119 5.6119 5.7859 5.7859 6.0942 6.0942 6.1948 6.1948 7.6900 7.6900 9.9035 9.9035 10.2604 10.2604 10.7592 10.7592 10.9998 10.9998 12.2530 12.2530 k = 0.0000 0.0000 0.1479 ( 3212 PWs) bands (ev): -4.9759 -4.9759 -4.4403 -4.4403 1.9334 1.9334 3.3427 3.3427 3.7196 3.7196 4.6109 4.6109 4.6222 4.6222 4.7846 4.7846 5.0777 5.0777 5.2038 5.2038 5.4492 5.4492 5.6136 5.6136 5.7979 5.7979 6.0825 6.0825 6.1507 6.1507 7.6474 7.6474 9.9297 9.9297 10.2928 10.2928 10.7767 10.7767 11.0001 11.0001 12.2411 12.2411 k = 0.0000 0.0000 0.1578 ( 3208 PWs) bands (ev): -4.9519 -4.9519 -4.4717 -4.4717 2.0048 2.0048 3.2858 3.2858 3.7139 3.7139 4.6034 4.6034 4.6219 4.6219 4.7922 4.7922 5.0788 5.0788 5.2166 5.2166 5.4509 5.4509 5.6151 5.6151 5.8097 5.8097 6.0553 6.0553 6.1267 6.1267 7.6078 7.6078 9.9547 9.9547 10.3220 10.3220 10.7790 10.7790 11.0082 11.0082 12.2386 12.2386 k = 0.0000 0.0000 0.1676 ( 3206 PWs) bands (ev): -4.9272 -4.9272 -4.5032 -4.5032 2.0763 2.0763 3.2268 3.2268 3.7089 3.7089 4.5963 4.5963 4.6220 4.6220 4.7991 4.7991 5.0795 5.0795 5.2287 5.2287 5.4527 5.4527 5.6166 5.6166 5.8211 5.8211 6.0181 6.0181 6.1180 6.1180 7.5717 7.5717 9.9783 9.9783 10.3483 10.3483 10.7707 10.7707 11.0188 11.0188 12.2462 12.2462 k = 0.0000 0.0000 0.1775 ( 3206 PWs) bands (ev): -4.9021 -4.9021 -4.5342 -4.5342 2.1467 2.1467 3.1673 3.1673 3.7044 3.7044 4.5900 4.5900 4.6222 4.6222 4.8052 4.8052 5.0800 5.0800 5.2397 5.2397 5.4546 5.4546 5.6179 5.6179 5.8316 5.8316 5.9814 5.9814 6.1144 6.1144 7.5398 7.5398 9.9999 9.9999 10.3716 10.3716 10.7572 10.7572 11.0276 11.0276 12.2621 12.2621 k = 0.0000 0.0000 0.1873 ( 3202 PWs) bands (ev): -4.8771 -4.8771 -4.5641 -4.5641 2.2138 2.2138 3.1090 3.1090 3.7008 3.7008 4.5848 4.5848 4.6223 4.6223 4.8104 4.8104 5.0803 5.0803 5.2493 5.2493 5.4566 5.4566 5.6192 5.6192 5.8410 5.8410 5.9489 5.9489 6.1127 6.1127 7.5128 7.5128 10.0190 10.0190 10.3917 10.3917 10.7423 10.7423 11.0328 11.0328 12.2830 12.2830 k = 0.0000 0.0000 0.1972 ( 3206 PWs) bands (ev): -4.8533 -4.8533 -4.5919 -4.5919 2.2749 2.2749 3.0547 3.0547 3.6979 3.6979 4.5806 4.5806 4.6224 4.6224 4.8144 4.8144 5.0805 5.0805 5.2572 5.2572 5.4582 5.4582 5.6203 5.6203 5.8489 5.8489 5.9224 5.9224 6.1117 6.1117 7.4912 7.4912 10.0350 10.0350 10.4080 10.4080 10.7284 10.7284 11.0346 11.0346 12.3050 12.3050 k = 0.0000 0.0000 0.2071 ( 3206 PWs) bands (ev): -4.8321 -4.8321 -4.6159 -4.6159 2.3257 2.3257 3.0088 3.0088 3.6958 3.6958 4.5776 4.5776 4.6225 4.6225 4.8174 4.8174 5.0806 5.0806 5.2631 5.2631 5.4598 5.4598 5.6212 5.6212 5.8549 5.8549 5.9026 5.9026 6.1111 6.1111 7.4754 7.4754 10.0470 10.0470 10.4201 10.4201 10.7174 10.7174 11.0345 11.0345 12.3241 12.3241 k = 0.0000 0.0000 0.2169 ( 3198 PWs) bands (ev): -4.8166 -4.8166 -4.6331 -4.6331 2.3603 2.3603 2.9771 2.9771 3.6946 3.6946 4.5759 4.5759 4.6226 4.6226 4.8193 4.8193 5.0807 5.0807 5.2668 5.2668 5.4608 5.4608 5.6218 5.6218 5.8588 5.8588 5.8903 5.8903 6.1108 6.1108 7.4658 7.4658 10.0546 10.0546 10.4277 10.4277 10.7103 10.7103 11.0337 11.0337 12.3370 12.3370 k = 0.0000 0.0000 0.2268 ( 3192 PWs) bands (ev): -4.8108 -4.8108 -4.6396 -4.6396 2.3728 2.3728 2.9657 2.9657 3.6942 3.6942 4.5753 4.5753 4.6226 4.6226 4.8199 4.8199 5.0808 5.0808 5.2681 5.2681 5.4612 5.4612 5.6220 5.6220 5.8602 5.8602 5.8861 5.8861 6.1108 6.1108 7.4626 7.4626 10.0571 10.0571 10.4302 10.4302 10.7079 10.7079 11.0333 11.0333 12.3416 12.3416 k = 0.0000 0.0000 0.2268 ( 3192 PWs) bands (ev): -4.8108 -4.8108 -4.6396 -4.6396 2.3728 2.3728 2.9657 2.9657 3.6942 3.6942 4.5753 4.5753 4.6226 4.6226 4.8199 4.8199 5.0808 5.0808 5.2681 5.2681 5.4612 5.4612 5.6220 5.6220 5.8602 5.8602 5.8861 5.8861 6.1108 6.1108 7.4626 7.4626 10.0571 10.0571 10.4302 10.4302 10.7079 10.7079 11.0333 11.0333 12.3416 12.3416 k = 0.0100-0.0000 0.2268 ( 3188 PWs) bands (ev): -4.8094 -4.8094 -4.6383 -4.6383 2.3740 2.3740 2.9663 2.9663 3.6948 3.6948 4.5757 4.5757 4.6226 4.6226 4.8200 4.8200 5.0797 5.0797 5.2684 5.2684 5.4610 5.4610 5.6222 5.6222 5.8538 5.8538 5.8875 5.8875 6.1172 6.1172 7.4633 7.4633 10.0435 10.0435 10.4317 10.4317 10.6888 10.6888 11.0376 11.0376 12.3413 12.3413 k = 0.0200-0.0000 0.2268 ( 3198 PWs) bands (ev): -4.8055 -4.8055 -4.6345 -4.6345 2.3777 2.3777 2.9682 2.9682 3.6963 3.6963 4.5764 4.5764 4.6226 4.6226 4.8204 4.8204 5.0763 5.0763 5.2693 5.2693 5.4606 5.4606 5.6228 5.6228 5.8372 5.8372 5.8907 5.8907 6.1348 6.1348 7.4653 7.4653 10.0032 10.0032 10.4360 10.4360 10.6344 10.6344 11.0486 11.0486 12.3404 12.3404 k = 0.0300-0.0000 0.2268 ( 3198 PWs) bands (ev): -4.7989 -4.7989 -4.6281 -4.6281 2.3840 2.3840 2.9714 2.9714 3.6990 3.6990 4.5777 4.5777 4.6227 4.6227 4.8211 4.8211 5.0709 5.0709 5.2707 5.2707 5.4597 5.4597 5.6236 5.6236 5.8141 5.8141 5.8951 5.8951 6.1607 6.1607 7.4687 7.4687 9.9378 9.9378 10.4413 10.4413 10.5511 10.5511 11.0632 11.0632 12.3391 12.3391 k = 0.0400-0.0000 0.2268 ( 3202 PWs) bands (ev): -4.7897 -4.7897 -4.6192 -4.6192 2.3926 2.3926 2.9758 2.9758 3.7027 3.7027 4.5793 4.5793 4.6227 4.6227 4.8220 4.8220 5.0635 5.0635 5.2727 5.2727 5.4587 5.4587 5.6245 5.6245 5.7873 5.7873 5.9009 5.9009 6.1920 6.1920 7.4735 7.4735 9.8496 9.8496 10.4231 10.4231 10.4685 10.4685 11.0797 11.0797 12.3373 12.3373 k = 0.0500-0.0000 0.2268 ( 3192 PWs) bands (ev): -4.7779 -4.7779 -4.6078 -4.6078 2.4038 2.4038 2.9815 2.9815 3.7075 3.7075 4.5815 4.5815 4.6229 4.6229 4.8232 4.8232 5.0542 5.0542 5.2751 5.2751 5.4575 5.4575 5.6252 5.6252 5.7590 5.7590 5.9081 5.9081 6.2271 6.2271 7.4796 7.4796 9.7410 9.7410 10.3031 10.3031 10.4688 10.4688 11.0979 11.0979 12.3353 12.3353 k = 0.0600-0.0000 0.2268 ( 3196 PWs) bands (ev): -4.7635 -4.7635 -4.5939 -4.5939 2.4174 2.4174 2.9884 2.9884 3.7133 3.7133 4.5838 4.5838 4.6230 4.6230 4.8245 4.8245 5.0429 5.0429 5.2778 5.2778 5.4558 5.4558 5.6248 5.6248 5.7310 5.7310 5.9168 5.9168 6.2646 6.2646 7.4871 7.4871 9.6147 9.6147 10.1566 10.1566 10.4807 10.4807 11.1179 11.1179 12.3331 12.3331 k = 0.0700-0.0000 0.2268 ( 3194 PWs) bands (ev): -4.7465 -4.7465 -4.5774 -4.5774 2.4333 2.4333 2.9964 2.9964 3.7201 3.7201 4.5863 4.5863 4.6232 4.6232 4.8260 4.8260 5.0298 5.0298 5.2807 5.2807 5.4540 5.4540 5.6212 5.6212 5.7057 5.7057 5.9269 5.9269 6.3041 6.3041 7.4958 7.4958 9.4732 9.4732 9.9958 9.9958 10.4953 10.4953 11.1402 11.1402 12.3306 12.3306 k = 0.0800-0.0000 0.2268 ( 3198 PWs) bands (ev): -4.7269 -4.7269 -4.5585 -4.5585 2.4517 2.4517 3.0055 3.0055 3.7279 3.7279 4.5888 4.5888 4.6235 4.6235 4.8276 4.8276 5.0152 5.0152 5.2838 5.2838 5.4520 5.4520 5.6111 5.6111 5.6871 5.6871 5.9385 5.9385 6.3450 6.3450 7.5057 7.5057 9.3193 9.3193 9.8243 9.8243 10.5121 10.5121 11.1648 11.1648 12.3277 12.3277 k = 0.0900-0.0000 0.2268 ( 3202 PWs) bands (ev): -4.7047 -4.7047 -4.5371 -4.5371 2.4723 2.4723 3.0156 3.0156 3.7366 3.7366 4.5912 4.5912 4.6238 4.6238 4.8293 4.8293 4.9988 4.9988 5.2869 5.2869 5.4498 5.4498 5.5921 5.5921 5.6777 5.6777 5.9516 5.9516 6.3871 6.3871 7.5169 7.5169 9.1553 9.1553 9.6449 9.6449 10.5310 10.5310 11.1922 11.1922 12.3244 12.3244 k = 0.1000-0.0000 0.2268 ( 3210 PWs) bands (ev): -4.6800 -4.6800 -4.5133 -4.5133 2.4953 2.4953 3.0268 3.0268 3.7462 3.7462 4.5930 4.5930 4.6242 4.6242 4.8308 4.8308 4.9810 4.9810 5.2900 5.2900 5.4475 5.4475 5.5665 5.5665 5.6755 5.6755 5.9661 5.9661 6.4302 6.4302 7.5291 7.5291 8.9836 8.9836 9.4602 9.4602 10.5520 10.5520 11.2222 11.2222 12.3205 12.3205 k = 0.1100-0.0000 0.2268 ( 3212 PWs) bands (ev): -4.6528 -4.6528 -4.4870 -4.4870 2.5204 2.5204 3.0389 3.0389 3.7568 3.7568 4.5943 4.5943 4.6248 4.6248 4.8320 4.8320 4.9619 4.9619 5.2930 5.2930 5.4449 5.4449 5.5378 5.5378 5.6771 5.6771 5.9820 5.9820 6.4743 6.4743 7.5423 7.5423 8.8062 8.8062 9.2723 9.2723 10.5752 10.5752 11.2550 11.2550 12.3156 12.3156 k = 0.1200-0.0000 0.2268 ( 3216 PWs) bands (ev): -4.6231 -4.6231 -4.4583 -4.4583 2.5477 2.5477 3.0518 3.0518 3.7682 3.7682 4.5945 4.5945 4.6254 4.6254 4.8328 4.8328 4.9417 4.9417 5.2957 5.2957 5.4420 5.4420 5.5082 5.5082 5.6807 5.6807 5.9993 5.9993 6.5190 6.5190 7.5563 7.5563 8.6250 8.6250 9.0830 9.0830 10.6005 10.6005 11.2906 11.2906 12.3095 12.3095 k = 0.1300-0.0000 0.2268 ( 3212 PWs) bands (ev): -4.5909 -4.5909 -4.4272 -4.4272 2.5771 2.5771 3.0654 3.0654 3.7805 3.7805 4.5933 4.5933 4.6262 4.6262 4.8324 4.8324 4.9209 4.9209 5.2982 5.2982 5.4380 5.4380 5.4795 5.4795 5.6855 5.6855 6.0180 6.0180 6.5645 6.5645 7.5708 7.5708 8.4418 8.4418 8.8942 8.8942 10.6280 10.6280 11.3288 11.3288 12.3020 12.3020 k = 0.1400-0.0000 0.2268 ( 3212 PWs) bands (ev): -4.5563 -4.5563 -4.3938 -4.3938 2.6086 2.6086 3.0797 3.0797 3.7935 3.7935 4.5903 4.5903 4.6271 4.6271 4.8298 4.8298 4.9007 4.9007 5.3002 5.3002 5.4287 5.4287 5.4563 5.4563 5.6909 5.6909 6.0380 6.0380 6.6103 6.6103 7.5853 7.5853 8.2584 8.2584 8.7078 8.7078 10.6577 10.6577 11.3697 11.3697 12.2927 12.2927 k = 0.1500-0.0000 0.2268 ( 3208 PWs) bands (ev): -4.5192 -4.5192 -4.3581 -4.3581 2.6419 2.6419 3.0945 3.0945 3.8072 3.8072 4.5848 4.5848 4.6282 4.6282 4.8223 4.8223 4.8835 4.8835 5.3017 5.3017 5.4069 5.4069 5.4461 5.4461 5.6969 5.6969 6.0592 6.0592 6.6564 6.6564 7.5990 7.5990 8.0763 8.0763 8.5257 8.5257 10.6897 10.6897 11.4130 11.4130 12.2814 12.2814 k = 0.1600-0.0000 0.2268 ( 3210 PWs) bands (ev): -4.4798 -4.4798 -4.3201 -4.3201 2.6770 2.6770 3.1097 3.1097 3.8216 3.8216 4.5760 4.5760 4.6292 4.6292 4.8072 4.8072 4.8723 4.8723 5.3023 5.3023 5.3794 5.3794 5.4428 5.4428 5.7031 5.7031 6.0816 6.0816 6.7022 6.7022 7.6103 7.6103 7.8974 7.8974 8.3508 8.3508 10.7239 10.7239 11.4584 11.4584 12.2678 12.2678 k = 0.1700-0.0000 0.2268 ( 3206 PWs) bands (ev): -4.4381 -4.4381 -4.2799 -4.2799 2.7139 2.7139 3.1251 3.1251 3.8366 3.8366 4.5630 4.5630 4.6304 4.6304 4.7846 4.7846 4.8668 4.8668 5.3019 5.3019 5.3512 5.3512 5.4415 5.4415 5.7096 5.7096 6.1051 6.1051 6.7472 6.7472 7.6154 7.6154 7.7242 7.7242 8.1876 8.1876 10.7605 10.7605 11.5057 11.5057 12.2517 12.2517 k = 0.1800-0.0000 0.2268 ( 3218 PWs) bands (ev): -4.3942 -4.3942 -4.2375 -4.2375 2.7522 2.7522 3.1406 3.1406 3.8522 3.8522 4.5447 4.5447 4.6316 4.6316 4.7570 4.7570 4.8644 4.8644 5.2990 5.2990 5.3250 5.3250 5.4411 5.4411 5.7161 5.7161 6.1292 6.1292 6.7899 6.7899 7.5557 7.5557 7.6106 7.6106 8.0447 8.0447 10.7994 10.7994 11.5543 11.5543 12.2332 12.2332 k = 0.1900-0.0000 0.2268 ( 3210 PWs) bands (ev): -4.3480 -4.3480 -4.1930 -4.1930 2.7920 2.7920 3.1560 3.1560 3.8683 3.8683 4.5202 4.5202 4.6331 4.6331 4.7264 4.7264 4.8633 4.8633 5.2859 5.2859 5.3089 5.3089 5.4415 5.4415 5.7228 5.7228 6.1538 6.1538 6.8274 6.8274 7.4040 7.4040 7.5733 7.5733 7.9384 7.9384 10.8406 10.8406 11.6034 11.6034 12.2126 12.2126 k = 0.2000-0.0000 0.2268 ( 3210 PWs) bands (ev): -4.2996 -4.2996 -4.1465 -4.1465 2.8331 2.8331 3.1710 3.1710 3.8848 3.8848 4.4884 4.4884 4.6349 4.6349 4.6932 4.6932 4.8626 4.8626 5.2619 5.2619 5.3040 5.3040 5.4426 5.4426 5.7296 5.7296 6.1780 6.1780 6.8520 6.8520 7.2731 7.2731 7.4957 7.4957 7.8828 7.8828 10.8842 10.8842 11.6516 11.6516 12.1908 12.1908 k = 0.2100-0.0000 0.2268 ( 3210 PWs) bands (ev): -4.2492 -4.2492 -4.0980 -4.0980 2.8752 2.8752 3.1854 3.1854 3.9017 3.9017 4.4486 4.4486 4.6366 4.6366 4.6576 4.6576 4.8616 4.8616 5.2362 5.2362 5.3010 5.3010 5.4442 5.4442 5.7362 5.7362 6.2009 6.2009 6.8470 6.8470 7.1832 7.1832 7.3880 7.3880 7.8679 7.8679 10.9303 10.9303 11.6963 11.6963 12.1698 12.1698 k = 0.2200-0.0000 0.2268 ( 3208 PWs) bands (ev): -4.1968 -4.1968 -4.0477 -4.0477 2.9180 2.9180 3.1988 3.1988 3.9186 3.9186 4.4007 4.4007 4.6177 4.6177 4.6396 4.6396 4.8602 4.8602 5.2109 5.2109 5.2984 5.2984 5.4463 5.4463 5.7428 5.7428 6.2204 6.2204 6.7969 6.7969 7.1522 7.1522 7.2708 7.2708 7.8743 7.8743 10.9788 10.9788 11.7333 11.7333 12.1533 12.1533 k = 0.2300-0.0000 0.2268 ( 3204 PWs) bands (ev): -4.1425 -4.1425 -3.9955 -3.9955 2.9614 2.9614 3.2110 3.2110 3.9356 3.9356 4.3448 4.3448 4.5745 4.5745 4.6421 4.6421 4.8580 4.8580 5.1867 5.1867 5.2960 5.2960 5.4488 5.4488 5.7492 5.7492 6.2332 6.2332 6.7199 6.7199 7.1468 7.1468 7.1758 7.1758 7.8912 7.8912 11.0297 11.0297 11.7562 11.7562 12.1473 12.1473 k = 0.2400-0.0000 0.2268 ( 3200 PWs) bands (ev): -4.0863 -4.0863 -3.9416 -3.9416 3.0050 3.0050 3.2215 3.2215 3.9522 3.9522 4.2815 4.2815 4.5259 4.5259 4.6449 4.6449 4.8547 4.8547 5.1637 5.1637 5.2939 5.2939 5.4515 5.4515 5.7554 5.7554 6.2339 6.2339 6.6460 6.6460 7.0461 7.0461 7.2059 7.2059 7.9137 7.9137 11.0831 11.0831 11.7579 11.7579 12.1586 12.1586 k = 0.2500-0.0000 0.2268 ( 3188 PWs) bands (ev): -4.0284 -4.0284 -3.8862 -3.8862 3.0482 3.0482 3.2298 3.2298 3.9676 3.9676 4.2120 4.2120 4.4716 4.4716 4.6481 4.6481 4.8503 4.8503 5.1420 5.1420 5.2925 5.2925 5.4545 5.4545 5.7612 5.7612 6.2165 6.2165 6.5925 6.5925 6.9522 6.9522 7.2511 7.2511 7.9396 7.9396 11.1390 11.1390 11.7354 11.7354 12.1896 12.1896 k = 0.2600-0.0000 0.2268 ( 3184 PWs) bands (ev): -3.9690 -3.9690 -3.8293 -3.8293 3.0904 3.0904 3.2354 3.2354 3.9791 3.9791 4.1397 4.1397 4.4116 4.4116 4.6515 4.6515 4.8446 4.8446 5.1219 5.1219 5.2919 5.2919 5.4575 5.4575 5.7663 5.7663 6.1801 6.1801 6.5629 6.5629 6.8744 6.8744 7.3012 7.3012 7.9677 7.9677 11.1974 11.1974 11.6915 11.6915 12.2368 12.2368 k = 0.2700-0.0000 0.2268 ( 3184 PWs) bands (ev): -3.9080 -3.9080 -3.7710 -3.7710 3.1300 3.1300 3.2382 3.2382 3.9741 3.9741 4.0779 4.0779 4.3467 4.3467 4.6553 4.6553 4.8374 4.8374 5.1033 5.1033 5.2922 5.2922 5.4605 5.4605 5.7707 5.7707 6.1316 6.1316 6.5484 6.5484 6.8176 6.8176 7.3541 7.3541 7.9974 7.9974 11.2581 11.2581 11.6308 11.6308 12.2700 12.2700 k = 0.2800-0.0000 0.2268 ( 3186 PWs) bands (ev): -3.8458 -3.8458 -3.7116 -3.7116 3.1636 3.1636 3.2395 3.2395 3.9227 3.9227 4.0577 4.0577 4.2786 4.2786 4.6591 4.6591 4.8288 4.8288 5.0866 5.0866 5.2936 5.2936 5.4634 5.4634 5.7741 5.7741 6.0799 6.0799 6.5359 6.5359 6.7871 6.7871 7.4086 7.4086 8.0282 8.0282 11.3210 11.3210 11.5568 11.5568 12.0887 12.0887 k = 0.2900-0.0000 0.2268 ( 3190 PWs) bands (ev): -3.7823 -3.7823 -3.6513 -3.6513 3.1814 3.1814 3.2461 3.2461 3.8409 3.8409 4.0650 4.0650 4.2097 4.2097 4.6631 4.6631 4.8188 4.8188 5.0714 5.0714 5.2962 5.2962 5.4663 5.4663 5.7762 5.7762 6.0308 6.0308 6.5184 6.5184 6.7839 6.7839 7.4643 7.4643 8.0599 8.0599 11.3833 11.3833 11.4739 11.4739 11.8981 11.8981 k = 0.3000-0.0000 0.2268 ( 3194 PWs) bands (ev): -3.7179 -3.7179 -3.5901 -3.5901 3.1743 3.1743 3.2627 3.2627 3.7531 3.7531 4.0775 4.0775 4.1440 4.1440 4.6670 4.6670 4.8078 4.8078 5.0580 5.0580 5.2998 5.2998 5.4690 5.4690 5.7766 5.7766 5.9872 5.9872 6.4982 6.4982 6.8022 6.8022 7.5206 7.5206 8.0920 8.0920 11.3637 11.3637 11.4635 11.4635 11.7151 11.7151 k = 0.3100-0.0000 0.2268 ( 3198 PWs) bands (ev): -3.6527 -3.6527 -3.5283 -3.5283 3.1482 3.1482 3.2762 3.2762 3.6704 3.6704 4.0684 4.0684 4.1064 4.1064 4.6705 4.6705 4.7962 4.7962 5.0460 5.0460 5.3046 5.3046 5.4716 5.4716 5.7752 5.7752 5.9502 5.9502 6.4803 6.4803 6.8343 6.8343 7.5772 7.5772 8.1245 8.1245 11.2555 11.2555 11.5210 11.5210 11.5526 11.5526 k = 0.3200-0.0000 0.2268 ( 3194 PWs) bands (ev): -3.5870 -3.5870 -3.4662 -3.4662 3.1079 3.1079 3.2698 3.2698 3.6059 3.6059 4.0178 4.0178 4.1182 4.1182 4.6734 4.6734 4.7846 4.7846 5.0352 5.0352 5.3104 5.3104 5.4741 5.4741 5.7720 5.7720 5.9197 5.9197 6.4686 6.4686 6.8751 6.8751 7.6339 7.6339 8.1570 8.1570 11.1296 11.1296 11.3810 11.3810 11.6070 11.6070 k = 0.3300-0.0000 0.2268 ( 3188 PWs) bands (ev): -3.5209 -3.5209 -3.4040 -3.4040 3.0548 3.0548 3.2296 3.2296 3.5726 3.5726 3.9714 3.9714 4.1351 4.1351 4.6748 4.6748 4.7739 4.7739 5.0255 5.0255 5.3170 5.3170 5.4766 5.4766 5.7668 5.7668 5.8953 5.8953 6.4647 6.4647 6.9213 6.9213 7.6905 7.6905 8.1893 8.1893 10.9887 10.9887 11.2372 11.2372 11.6831 11.6831 k = 0.3400-0.0000 0.2268 ( 3190 PWs) bands (ev): -3.4548 -3.4548 -3.3420 -3.3420 2.9901 2.9901 3.1570 3.1570 3.5698 3.5698 3.9340 3.9340 4.1526 4.1526 4.6736 4.6736 4.7654 4.7654 5.0165 5.0165 5.3244 5.3244 5.4789 5.4789 5.7603 5.7603 5.8761 5.8761 6.4691 6.4691 6.9709 6.9709 7.7467 7.7467 8.2212 8.2212 10.8372 10.8372 11.1049 11.1049 11.7624 11.7624 k = 0.3500-0.0000 0.2268 ( 3198 PWs) bands (ev): -3.3890 -3.3890 -3.2806 -3.2806 2.9159 2.9159 3.0653 3.0653 3.5846 3.5846 3.9054 3.9054 4.1703 4.1703 4.6690 4.6690 4.7601 4.7601 5.0081 5.0081 5.3324 5.3324 5.4810 5.4810 5.7530 5.7530 5.8607 5.8607 6.4819 6.4819 7.0227 7.0227 7.8023 7.8023 8.2524 8.2524 10.6810 10.6810 10.9800 10.9800 11.8444 11.8444 k = 0.3600-0.0000 0.2268 ( 3202 PWs) bands (ev): -3.3238 -3.3238 -3.2200 -3.2200 2.8347 2.8347 2.9650 2.9650 3.6073 3.6073 3.8846 3.8846 4.1881 4.1881 4.6604 4.6604 4.7587 4.7587 5.0000 5.0000 5.3410 5.3410 5.4829 5.4829 5.7456 5.7456 5.8483 5.8483 6.5027 6.5027 7.0756 7.0756 7.8570 7.8570 8.2826 8.2826 10.5249 10.5249 10.8590 10.8590 11.9291 11.9291 k = 0.3700-0.0000 0.2268 ( 3198 PWs) bands (ev): -3.2595 -3.2595 -3.1608 -3.1608 2.7488 2.7488 2.8620 2.8620 3.6329 3.6329 3.8702 3.8702 4.2057 4.2057 4.6486 4.6486 4.7609 4.7609 4.9923 4.9923 5.3500 5.3500 5.4848 5.4848 5.7388 5.7388 5.8379 5.8379 6.5311 6.5311 7.1287 7.1287 7.9107 7.9107 8.3117 8.3117 10.3722 10.3722 10.7402 10.7402 12.0164 12.0164 k = 0.3800-0.0000 0.2268 ( 3202 PWs) bands (ev): -3.1966 -3.1966 -3.1033 -3.1033 2.6610 2.6610 2.7595 2.7595 3.6589 3.6589 3.8607 3.8607 4.2233 4.2233 4.6345 4.6345 4.7656 4.7656 4.9846 4.9846 5.3594 5.3594 5.4863 5.4863 5.7329 5.7329 5.8287 5.8287 6.5666 6.5666 7.1810 7.1810 7.9631 7.9631 8.3392 8.3392 10.2249 10.2249 10.6230 10.6230 12.1062 12.1062 k = 0.3900-0.0000 0.2268 ( 3198 PWs) bands (ev): -3.1356 -3.1356 -3.0479 -3.0479 2.5734 2.5734 2.6593 2.6593 3.6843 3.6843 3.8549 3.8549 4.2408 4.2408 4.6188 4.6188 4.7721 4.7721 4.9769 4.9769 5.3689 5.3689 5.4875 5.4875 5.7282 5.7282 5.8204 5.8204 6.6085 6.6085 7.2314 7.2314 8.0139 8.0139 8.3648 8.3648 10.0850 10.0850 10.5072 10.5072 12.1984 12.1984 k = 0.4000-0.0000 0.2268 ( 3204 PWs) bands (ev): -3.0768 -3.0768 -2.9952 -2.9952 2.4879 2.4879 2.5631 2.5631 3.7083 3.7083 3.8517 3.8517 4.2581 4.2581 4.6021 4.6021 4.7798 4.7798 4.9691 4.9691 5.3785 5.3785 5.4884 5.4884 5.7248 5.7248 5.8126 5.8126 6.6563 6.6563 7.2786 7.2786 8.0630 8.0630 8.3882 8.3882 9.9542 9.9542 10.3932 10.3932 12.2929 12.2929 k = 0.4100-0.0000 0.2268 ( 3200 PWs) bands (ev): -3.0208 -3.0208 -2.9457 -2.9457 2.4062 2.4062 2.4720 2.4720 3.7306 3.7306 3.8502 3.8502 4.2753 4.2753 4.5849 4.5849 4.7884 4.7884 4.9612 4.9612 5.3881 5.3881 5.4887 5.4887 5.7226 5.7226 5.8052 5.8052 6.7095 6.7095 7.3215 7.3215 8.1101 8.1101 8.4090 8.4090 9.8341 9.8341 10.2812 10.2812 12.3895 12.3895 k = 0.4200-0.0000 0.2268 ( 3196 PWs) bands (ev): -2.9681 -2.9681 -2.9000 -2.9000 2.3297 2.3297 2.3871 2.3871 3.7509 3.7509 3.8500 3.8500 4.2924 4.2924 4.5675 4.5675 4.7977 4.7977 4.9531 4.9531 5.3977 5.3977 5.4885 5.4885 5.7216 5.7216 5.7981 5.7981 6.7673 6.7673 7.3582 7.3582 8.1550 8.1550 8.4266 8.4266 9.7267 9.7267 10.1720 10.1720 12.4881 12.4881 k = 0.4300-0.0000 0.2268 ( 3188 PWs) bands (ev): -2.9193 -2.9193 -2.8585 -2.8585 2.2596 2.2596 2.3092 2.3092 3.7692 3.7692 3.8503 3.8503 4.3095 4.3095 4.5500 4.5500 4.8075 4.8075 4.9448 4.9448 5.4071 5.4071 5.4877 5.4877 5.7218 5.7218 5.7912 5.7912 6.8291 6.8291 7.3873 7.3873 8.1975 8.1975 8.4406 8.4406 9.6339 9.6339 10.0661 10.0661 12.5884 12.5884 k = 0.4400-0.0000 0.2268 ( 3182 PWs) bands (ev): -2.8749 -2.8749 -2.8218 -2.8218 2.1971 2.1971 2.2394 2.2394 3.7853 3.7853 3.8508 3.8508 4.3265 4.3265 4.5323 4.5323 4.8176 4.8176 4.9362 4.9362 5.4162 5.4162 5.4862 5.4862 5.7230 5.7230 5.7844 5.7844 6.8939 6.8939 7.4070 7.4070 8.2375 8.2375 8.4505 8.4505 9.5579 9.5579 9.9644 9.9644 12.6899 12.6899 k = 0.4500-0.0000 0.2268 ( 3174 PWs) bands (ev): -2.8354 -2.8354 -2.7904 -2.7904 2.1431 2.1431 2.1782 2.1782 3.7995 3.7995 3.8513 3.8513 4.3434 4.3434 4.5148 4.5148 4.8278 4.8278 4.9274 4.9274 5.4251 5.4251 5.4841 5.4841 5.7252 5.7252 5.7778 5.7778 6.9609 6.9609 7.4158 7.4158 8.2747 8.2747 8.4559 8.4559 9.5003 9.5003 9.8677 9.8677 12.7924 12.7924 k = 0.4600-0.0000 0.2268 ( 3174 PWs) bands (ev): -2.8014 -2.8014 -2.7649 -2.7649 2.0984 2.0984 2.1265 2.1265 3.8116 3.8116 3.8512 3.8512 4.3603 4.3603 4.4972 4.4972 4.8381 4.8381 4.9183 4.9183 5.4335 5.4335 5.4812 5.4812 5.7283 5.7283 5.7712 5.7712 7.0289 7.0289 7.4125 7.4125 8.3090 8.3090 8.4565 8.4565 9.4624 9.4624 9.7771 9.7771 12.8951 12.8951 k = 0.4700-0.0000 0.2268 ( 3164 PWs) bands (ev): -2.7733 -2.7733 -2.7457 -2.7457 2.0637 2.0637 2.0848 2.0848 3.8219 3.8219 3.8505 3.8505 4.3772 4.3772 4.4798 4.4798 4.8486 4.8486 4.9090 4.9090 5.4416 5.4416 5.4776 5.4776 5.7321 5.7321 5.7648 5.7648 7.0965 7.0965 7.3968 7.3968 8.3402 8.3402 8.4524 8.4524 9.4447 9.4447 9.6939 9.6939 12.9974 12.9974 k = 0.4800-0.0000 0.2268 ( 3168 PWs) bands (ev): -2.7516 -2.7516 -2.7330 -2.7330 2.0395 2.0395 2.0536 2.0536 3.8304 3.8304 3.8489 3.8489 4.3941 4.3941 4.4625 4.4625 4.8590 4.8590 4.8994 4.8994 5.4490 5.4490 5.4731 5.4731 5.7365 5.7365 5.7586 5.7586 7.1622 7.1622 7.3688 7.3688 8.3681 8.3681 8.4436 8.4436 9.4467 9.4467 9.6195 9.6195 13.0981 13.0981 k = 0.4900-0.0000 0.2268 ( 3168 PWs) bands (ev): -2.7365 -2.7365 -2.7272 -2.7272 2.0263 2.0263 2.0333 2.0333 3.8371 3.8371 3.8463 3.8463 4.4110 4.4110 4.4452 4.4452 4.8692 4.8692 4.8895 4.8895 5.4560 5.4560 5.4681 5.4681 5.7414 5.7414 5.7525 5.7525 7.2243 7.2243 7.3296 7.3296 8.3925 8.3925 8.4305 8.4305 9.4671 9.4671 9.5556 9.5556 13.1959 13.1959 k = 0.5000-0.0000 0.2268 ( 3176 PWs) bands (ev): -2.7284 -2.7284 -2.7284 -2.7284 2.0242 2.0242 2.0242 2.0242 3.8424 3.8424 3.8424 3.8424 4.4280 4.4280 4.4280 4.4280 4.8795 4.8795 4.8795 4.8795 5.4623 5.4623 5.4623 5.4623 5.7468 5.7468 5.7468 5.7468 7.2807 7.2807 7.2807 7.2807 8.4134 8.4134 8.4134 8.4134 9.5041 9.5041 9.5041 9.5041 13.2888 13.2888 k = 0.5000-0.0000 0.2268 ( 3176 PWs) bands (ev): -2.7284 -2.7284 -2.7284 -2.7284 2.0242 2.0242 2.0242 2.0242 3.8424 3.8424 3.8424 3.8424 4.4280 4.4280 4.4280 4.4280 4.8795 4.8795 4.8795 4.8795 5.4623 5.4623 5.4623 5.4623 5.7468 5.7468 5.7468 5.7468 7.2807 7.2807 7.2807 7.2807 8.4134 8.4134 8.4134 8.4134 9.5041 9.5041 9.5041 9.5041 13.2888 13.2888 k = 0.5000 0.0099 0.2268 ( 3180 PWs) bands (ev): -2.7278 -2.7278 -2.7277 -2.7277 2.0244 2.0244 2.0251 2.0251 3.8430 3.8430 3.8430 3.8430 4.4284 4.4284 4.4284 4.4284 4.8760 4.8760 4.8803 4.8803 5.4619 5.4619 5.4623 5.4623 5.7459 5.7459 5.7473 5.7473 7.2718 7.2718 7.2864 7.2864 8.3968 8.3968 8.4189 8.4189 9.4992 9.4992 9.5134 9.5134 13.2913 13.2920 k = 0.5000 0.0198 0.2268 ( 3180 PWs) bands (ev): -2.7260 -2.7260 -2.7258 -2.7258 2.0257 2.0257 2.0270 2.0270 3.8449 3.8449 3.8449 3.8449 4.4295 4.4295 4.4296 4.4296 4.8700 4.8700 4.8786 4.8786 5.4613 5.4613 5.4620 5.4620 5.7447 5.7447 5.7475 5.7475 7.2597 7.2597 7.2888 7.2888 8.3696 8.3696 8.4131 8.4131 9.4989 9.4989 9.5266 9.5266 13.2983 13.2988 k = 0.5000 0.0297 0.2268 ( 3180 PWs) bands (ev): -2.7230 -2.7230 -2.7227 -2.7227 2.0280 2.0280 2.0301 2.0301 3.8481 3.8481 3.8481 3.8481 4.4314 4.4314 4.4316 4.4316 4.8616 4.8616 4.8743 4.8743 5.4602 5.4602 5.4612 5.4612 5.7431 5.7431 5.7473 5.7473 7.2443 7.2443 7.2879 7.2879 8.3327 8.3327 8.3964 8.3964 9.5035 9.5035 9.5436 9.5436 13.3067 13.3073 k = 0.5000 0.0395 0.2268 ( 3184 PWs) bands (ev): -2.7188 -2.7188 -2.7183 -2.7183 2.0314 2.0314 2.0342 2.0342 3.8526 3.8526 3.8527 3.8527 4.4339 4.4339 4.4343 4.4343 4.8508 4.8508 4.8674 4.8674 5.4589 5.4589 5.4599 5.4599 5.7412 5.7412 5.7467 5.7467 7.2256 7.2256 7.2837 7.2837 8.2870 8.2870 8.3692 8.3692 9.5130 9.5130 9.5640 9.5640 13.3065 13.3065 k = 0.5000 0.0494 0.2268 ( 3176 PWs) bands (ev): -2.7134 -2.7134 -2.7128 -2.7128 2.0359 2.0359 2.0394 2.0394 3.8584 3.8584 3.8585 3.8585 4.4371 4.4371 4.4379 4.4379 4.8379 4.8379 4.8582 4.8582 5.4572 5.4572 5.4582 5.4582 5.7390 5.7390 5.7458 5.7458 7.2037 7.2037 7.2761 7.2761 8.2337 8.2337 8.3325 8.3325 9.5274 9.5274 9.5877 9.5877 13.2885 13.2885 k = 0.5000 0.0593 0.2268 ( 3172 PWs) bands (ev): -2.7068 -2.7068 -2.7061 -2.7061 2.0414 2.0414 2.0456 2.0456 3.8654 3.8654 3.8655 3.8655 4.4409 4.4409 4.4422 4.4422 4.8231 4.8231 4.8467 4.8467 5.4551 5.4551 5.4559 5.4559 5.7364 5.7364 5.7445 5.7445 7.1785 7.1785 7.2650 7.2650 8.1741 8.1741 8.2875 8.2875 9.5466 9.5466 9.6145 9.6145 13.2479 13.2479 k = 0.5000 0.0692 0.2268 ( 3168 PWs) bands (ev): -2.6991 -2.6991 -2.6983 -2.6983 2.0478 2.0478 2.0527 2.0527 3.8735 3.8735 3.8738 3.8738 4.4452 4.4452 4.4472 4.4472 4.8065 4.8065 4.8329 4.8329 5.4526 5.4526 5.4529 5.4529 5.7335 5.7335 5.7427 5.7427 7.1500 7.1500 7.2504 7.2504 8.1092 8.1092 8.2354 8.2354 9.5704 9.5704 9.6445 9.6445 13.1854 13.1854 k = 0.5000 0.0791 0.2268 ( 3172 PWs) bands (ev): -2.6902 -2.6902 -2.6893 -2.6893 2.0551 2.0551 2.0608 2.0608 3.8828 3.8828 3.8833 3.8833 4.4497 4.4497 4.4527 4.4527 4.7884 4.7884 4.8171 4.8171 5.4492 5.4492 5.4496 5.4496 5.7302 5.7302 5.7405 5.7405 7.1184 7.1184 7.2320 7.2320 8.0404 8.0404 8.1777 8.1777 9.5984 9.5984 9.6776 9.6776 13.1061 13.1061 k = 0.5000 0.0890 0.2268 ( 3180 PWs) bands (ev): -2.6803 -2.6803 -2.6794 -2.6794 2.0634 2.0634 2.0697 2.0697 3.8932 3.8932 3.8940 3.8940 4.4542 4.4542 4.4588 4.4588 4.7693 4.7693 4.7996 4.7996 5.4447 5.4447 5.4461 5.4461 5.7265 5.7265 5.7377 5.7377 7.0835 7.0835 7.2100 7.2100 7.9688 7.9688 8.1154 8.1154 9.6305 9.6305 9.7137 9.7137 13.0161 13.0161 k = 0.5000 0.0988 0.2268 ( 3184 PWs) bands (ev): -2.6694 -2.6694 -2.6683 -2.6683 2.0724 2.0724 2.0795 2.0795 3.9047 3.9047 3.9058 3.9058 4.4586 4.4586 4.4655 4.4655 4.7496 4.7496 4.7805 4.7805 5.4393 5.4393 5.4420 5.4420 5.7224 5.7224 5.7344 5.7344 7.0458 7.0458 7.1841 7.1841 7.8956 7.8956 8.0499 8.0499 9.6665 9.6665 9.7530 9.7530 12.9205 12.9205 k = 0.5000 0.1087 0.2268 ( 3188 PWs) bands (ev): -2.6576 -2.6576 -2.6564 -2.6564 2.0822 2.0822 2.0900 2.0900 3.9172 3.9172 3.9188 3.9188 4.4621 4.4621 4.4724 4.4724 4.7301 4.7301 4.7603 4.7603 5.4329 5.4329 5.4374 5.4374 5.7180 5.7180 5.7307 5.7307 7.0052 7.0052 7.1543 7.1543 7.8217 7.8217 7.9820 7.9820 9.7060 9.7060 9.7953 9.7953 12.8228 12.8228 k = 0.5000 0.1186 0.2268 ( 3200 PWs) bands (ev): -2.6448 -2.6448 -2.6435 -2.6435 2.0927 2.0927 2.1012 2.1012 3.9306 3.9306 3.9328 3.9328 4.4641 4.4641 4.4794 4.4794 4.7116 4.7116 4.7393 4.7393 5.4255 5.4255 5.4320 5.4320 5.7132 5.7132 5.7264 5.7264 6.9621 6.9621 7.1208 7.1208 7.7480 7.7480 7.9126 7.9126 9.7491 9.7491 9.8406 9.8406 12.7253 12.7253 k = 0.5000 0.1285 0.2268 ( 3196 PWs) bands (ev): -2.6311 -2.6311 -2.6298 -2.6298 2.1038 2.1038 2.1130 2.1130 3.9449 3.9449 3.9478 3.9478 4.4638 4.4638 4.4860 4.4860 4.6953 4.6953 4.7182 4.7182 5.4171 5.4171 5.4260 5.4260 5.7081 5.7081 5.7215 5.7215 6.9169 6.9169 7.0836 7.0836 7.6752 7.6752 7.8423 7.8423 9.7954 9.7954 9.8890 9.8890 12.6299 12.6299 k = 0.5000 0.1384 0.2268 ( 3196 PWs) bands (ev): -2.6167 -2.6167 -2.6153 -2.6153 2.1154 2.1154 2.1254 2.1254 3.9600 3.9600 3.9638 3.9638 4.4599 4.4599 4.4915 4.4915 4.6826 4.6826 4.6979 4.6979 5.4076 5.4076 5.4194 5.4194 5.7026 5.7026 5.7161 5.7161 6.8700 6.8700 7.0430 7.0430 7.6038 7.6038 7.7718 7.7718 9.8448 9.8448 9.9403 9.9403 12.5375 12.5375 k = 0.5000 0.1483 0.2268 ( 3204 PWs) bands (ev): -2.6016 -2.6016 -2.6002 -2.6002 2.1275 2.1275 2.1381 2.1381 3.9757 3.9757 3.9807 3.9807 4.4514 4.4514 4.4950 4.4950 4.6745 4.6745 4.6795 4.6795 5.3968 5.3968 5.4119 5.4119 5.6968 5.6968 5.7100 5.7100 6.8218 6.8218 6.9993 6.9993 7.5341 7.5341 7.7012 7.7012 9.8971 9.8971 9.9944 9.9944 12.4491 12.4491 k = 0.5000 0.1582 0.2268 ( 3204 PWs) bands (ev): -2.5859 -2.5859 -2.5844 -2.5844 2.1400 2.1400 2.1513 2.1513 3.9918 3.9918 3.9983 3.9983 4.4380 4.4380 4.4952 4.4952 4.6646 4.6646 4.6719 4.6719 5.3849 5.3849 5.4036 5.4036 5.6907 5.6907 5.7034 5.7034 6.7729 6.7729 6.9532 6.9532 7.4663 7.4663 7.6309 7.6309 9.9523 9.9523 10.0513 10.0513 12.3651 12.3651 k = 0.5000 0.1680 0.2268 ( 3204 PWs) bands (ev): -2.5696 -2.5696 -2.5681 -2.5681 2.1527 2.1527 2.1646 2.1646 4.0083 4.0083 4.0166 4.0166 4.4199 4.4199 4.4907 4.4907 4.6549 4.6549 4.6746 4.6746 5.3715 5.3715 5.3946 5.3946 5.6843 5.6843 5.6963 5.6963 6.7237 6.7237 6.9052 6.9052 7.4003 7.4003 7.5609 7.5609 10.0101 10.0101 10.1108 10.1108 12.2860 12.2860 k = 0.5000 0.1779 0.2268 ( 3196 PWs) bands (ev): -2.5529 -2.5529 -2.5514 -2.5514 2.1656 2.1656 2.1781 2.1781 4.0248 4.0248 4.0353 4.0353 4.3982 4.3982 4.4808 4.4808 4.6514 4.6514 4.6820 4.6820 5.3569 5.3569 5.3847 5.3847 5.6778 5.6778 5.6888 5.6888 6.6749 6.6749 6.8561 6.8561 7.3360 7.3360 7.4915 7.4915 10.0704 10.0704 10.1729 10.1729 12.2120 12.2120 k = 0.5000 0.1878 0.2268 ( 3196 PWs) bands (ev): -2.5358 -2.5358 -2.5343 -2.5343 2.1785 2.1785 2.1916 2.1916 4.0410 4.0410 4.0543 4.0543 4.3740 4.3740 4.4663 4.4663 4.6537 4.6537 4.6932 4.6932 5.3408 5.3408 5.3739 5.3739 5.6712 5.6712 5.6810 5.6810 6.6269 6.6269 6.8065 6.8065 7.2731 7.2731 7.4227 7.4227 10.1330 10.1330 10.2373 10.2373 12.1433 12.1433 k = 0.5000 0.1977 0.2268 ( 3188 PWs) bands (ev): -2.5185 -2.5185 -2.5170 -2.5170 2.1915 2.1915 2.2051 2.2051 4.0565 4.0565 4.0730 4.0730 4.3487 4.3487 4.4490 4.4490 4.6606 4.6606 4.7076 4.7076 5.3232 5.3232 5.3622 5.3622 5.6647 5.6647 5.6731 5.6731 6.5801 6.5801 6.7571 6.7571 7.2114 7.2114 7.3545 7.3545 10.1978 10.1978 10.3040 10.3040 12.0800 12.0800 k = 0.5000 0.2076 0.2268 ( 3180 PWs) bands (ev): -2.5011 -2.5011 -2.4995 -2.4995 2.2043 2.2043 2.2183 2.2183 4.0706 4.0706 4.0909 4.0909 4.3238 4.3238 4.4307 4.4307 4.6707 4.6707 4.7243 4.7243 5.3043 5.3043 5.3495 5.3495 5.6584 5.6584 5.6652 5.6652 6.5349 6.5349 6.7086 6.7086 7.1507 7.1507 7.2870 7.2870 10.2645 10.2645 10.3728 10.3728 12.0220 12.0220 k = 0.5000 0.2175 0.2268 ( 3176 PWs) bands (ev): -2.4836 -2.4836 -2.4821 -2.4821 2.2169 2.2169 2.2313 2.2313 4.0826 4.0826 4.1066 4.1066 4.3008 4.3008 4.4134 4.4134 4.6829 4.6829 4.7431 4.7431 5.2838 5.2838 5.3360 5.3360 5.6524 5.6524 5.6576 5.6576 6.4916 6.4916 6.6613 6.6613 7.0909 7.0909 7.2202 7.2202 10.3331 10.3331 10.4434 10.4434 11.9694 11.9694 k = 0.5000 0.2274 0.2268 ( 3172 PWs) bands (ev): -2.4663 -2.4663 -2.4647 -2.4647 2.2291 2.2291 2.2438 2.2438 4.0914 4.0914 4.1181 4.1181 4.2825 4.2825 4.3988 4.3988 4.6964 4.6964 4.7634 4.7634 5.2620 5.2620 5.3215 5.3215 5.6469 5.6469 5.6506 5.6506 6.4504 6.4504 6.6156 6.6156 7.0320 7.0320 7.1544 7.1544 10.4031 10.4031 10.5157 10.5157 11.9218 11.9218 k = 0.5000 0.2372 0.2268 ( 3168 PWs) bands (ev): -2.4491 -2.4491 -2.4476 -2.4476 2.2410 2.2410 2.2559 2.2559 4.0962 4.0962 4.1224 4.1224 4.2722 4.2722 4.3885 4.3885 4.7105 4.7105 4.7850 4.7850 5.2388 5.2388 5.3063 5.3063 5.6421 5.6421 5.6446 5.6446 6.4112 6.4112 6.5716 6.5716 6.9740 6.9740 7.0897 7.0897 10.4746 10.4746 10.5895 10.5895 11.8793 11.8793 k = 0.5000 0.2471 0.2268 ( 3168 PWs) bands (ev): -2.4323 -2.4323 -2.4308 -2.4308 2.2524 2.2524 2.2673 2.2673 4.0961 4.0961 4.1174 4.1174 4.2723 4.2723 4.3837 4.3837 4.7246 4.7246 4.8074 4.8074 5.2144 5.2144 5.2904 5.2904 5.6383 5.6383 5.6399 5.6399 6.3740 6.3740 6.5294 6.5294 6.9173 6.9173 7.0263 7.0263 10.5470 10.5470 10.6643 10.6643 11.8415 11.8415 k = 0.5000 0.2570 0.2268 ( 3180 PWs) bands (ev): -2.4159 -2.4159 -2.4145 -2.4145 2.2632 2.2632 2.2781 2.2781 4.0909 4.0909 4.1042 4.1042 4.2820 4.2820 4.3848 4.3848 4.7383 4.7383 4.8304 4.8304 5.1890 5.1890 5.2739 5.2739 5.6357 5.6357 5.6368 5.6368 6.3387 6.3387 6.4888 6.4888 6.8620 6.8620 6.9645 6.9645 10.6202 10.6202 10.7400 10.7400 11.8082 11.8082 k = 0.5000 0.2669 0.2268 ( 3184 PWs) bands (ev): -2.4001 -2.4001 -2.3988 -2.3988 2.2735 2.2735 2.2880 2.2880 4.0813 4.0813 4.0862 4.0862 4.2980 4.2980 4.3915 4.3915 4.7510 4.7510 4.8535 4.8535 5.1629 5.1629 5.2573 5.2573 5.6346 5.6346 5.6358 5.6358 6.3051 6.3051 6.4495 6.4495 6.8086 6.8086 6.9049 6.9049 10.6939 10.6939 10.8161 10.8161 11.7791 11.7791 k = 0.5000 0.2768 0.2268 ( 3184 PWs) bands (ev): -2.3850 -2.3850 -2.3837 -2.3837 2.2830 2.2830 2.2972 2.2972 4.0661 4.0661 4.0683 4.0683 4.3179 4.3179 4.4030 4.4030 4.7623 4.7623 4.8762 4.8762 5.1365 5.1365 5.2409 5.2409 5.6352 5.6352 5.6372 5.6372 6.2728 6.2728 6.4112 6.4112 6.7579 6.7579 6.8477 6.8477 10.7675 10.7675 10.8923 10.8923 11.7537 11.7537 k = 0.5000 0.2867 0.2268 ( 3188 PWs) bands (ev): -2.3708 -2.3708 -2.3695 -2.3695 2.2919 2.2919 2.3055 2.3055 4.0457 4.0457 4.0532 4.0532 4.3400 4.3400 4.4180 4.4180 4.7717 4.7717 4.8978 4.8978 5.1105 5.1105 5.2249 5.2249 5.6378 5.6378 5.6413 5.6413 6.2414 6.2414 6.3732 6.3732 6.7103 6.7103 6.7934 6.7934 10.8408 10.8408 10.9679 10.9679 11.7316 11.7316 k = 0.5000 0.2965 0.2268 ( 3188 PWs) bands (ev): -2.3574 -2.3574 -2.3563 -2.3563 2.3000 2.3000 2.3129 2.3129 4.0261 4.0261 4.0370 4.0370 4.3634 4.3634 4.4357 4.4357 4.7789 4.7789 4.9169 4.9169 5.0860 5.0860 5.2097 5.2097 5.6427 5.6427 5.6483 5.6483 6.2106 6.2106 6.3351 6.3351 6.6667 6.6667 6.7427 6.7427 10.9131 10.9131 11.0423 11.0423 11.7125 11.7125 k = 0.5000 0.3064 0.2268 ( 3180 PWs) bands (ev): -2.3451 -2.3451 -2.3441 -2.3441 2.3073 2.3073 2.3193 2.3193 4.0078 4.0078 4.0207 4.0207 4.3873 4.3873 4.4549 4.4549 4.7838 4.7838 4.9313 4.9313 5.0652 5.0652 5.1956 5.1956 5.6502 5.6502 5.6584 5.6584 6.1801 6.1801 6.2964 6.2964 6.6278 6.6278 6.6961 6.6961 10.9839 10.9839 11.1147 11.1147 11.6960 11.6960 k = 0.5000 0.3163 0.2268 ( 3184 PWs) bands (ev): -2.3340 -2.3340 -2.3331 -2.3331 2.3139 2.3139 2.3248 2.3248 3.9914 3.9914 4.0049 4.0049 4.4115 4.4115 4.4748 4.4748 4.7862 4.7862 4.9371 4.9371 5.0520 5.0520 5.1827 5.1827 5.6601 5.6601 5.6714 5.6714 6.1497 6.1497 6.2569 6.2569 6.5939 6.5939 6.6539 6.6539 11.0526 11.0526 11.1840 11.1840 11.6818 11.6818 k = 0.5000 0.3262 0.2268 ( 3188 PWs) bands (ev): -2.3241 -2.3241 -2.3233 -2.3233 2.3197 2.3197 2.3294 2.3294 3.9769 3.9769 3.9902 3.9902 4.4354 4.4354 4.4945 4.4945 4.7866 4.7866 4.9310 4.9310 5.0495 5.0495 5.1710 5.1710 5.6727 5.6727 5.6871 5.6871 6.1194 6.1194 6.2166 6.2166 6.5654 6.5654 6.6168 6.6168 11.1184 11.1184 11.2489 11.2489 11.6697 11.6697 k = 0.5000 0.3361 0.2268 ( 3188 PWs) bands (ev): -2.3156 -2.3156 -2.3149 -2.3149 2.3247 2.3247 2.3330 2.3330 3.9648 3.9648 3.9769 3.9769 4.4587 4.4587 4.5131 4.5131 4.7858 4.7858 4.9149 4.9149 5.0560 5.0560 5.1604 5.1604 5.6878 5.6878 5.7051 5.7051 6.0899 6.0899 6.1761 6.1761 6.5425 6.5425 6.5849 6.5849 11.1805 11.1805 11.3073 11.3073 11.6601 11.6601 k = 0.5000 0.3460 0.2268 ( 3176 PWs) bands (ev): -2.3085 -2.3085 -2.3080 -2.3080 2.3290 2.3290 2.3358 2.3358 3.9550 3.9550 3.9654 3.9654 4.4811 4.4811 4.5294 4.5294 4.7849 4.7849 4.8938 4.8938 5.0670 5.0670 5.1508 5.1508 5.7049 5.7049 5.7242 5.7242 6.0621 6.0621 6.1363 6.1363 6.5248 6.5248 6.5583 6.5583 11.2380 11.2380 11.3566 11.3566 11.6541 11.6541 k = 0.5000 0.3559 0.2268 ( 3180 PWs) bands (ev): -2.3029 -2.3029 -2.3025 -2.3025 2.3325 2.3325 2.3377 2.3377 3.9477 3.9477 3.9559 3.9559 4.5017 4.5017 4.5419 4.5419 4.7855 4.7855 4.8709 4.8709 5.0792 5.0792 5.1416 5.1416 5.7231 5.7231 5.7427 5.7427 6.0379 6.0379 6.0983 6.0983 6.5123 6.5123 6.5370 6.5370 11.2900 11.2900 11.3930 11.3930 11.6536 11.6536 k = 0.5000 0.3657 0.2268 ( 3180 PWs) bands (ev): -2.2988 -2.2988 -2.2986 -2.2986 2.3352 2.3352 2.3388 2.3388 3.9429 3.9429 3.9485 3.9485 4.5200 4.5200 4.5492 4.5492 4.7893 4.7893 4.8484 4.8484 5.0914 5.0914 5.1325 5.1325 5.7411 5.7411 5.7579 5.7579 6.0203 6.0203 6.0642 6.0642 6.5046 6.5046 6.5208 6.5208 11.3353 11.3353 11.4128 11.4128 11.6609 11.6609 k = 0.5000 0.3756 0.2268 ( 3168 PWs) bands (ev): -2.2963 -2.2963 -2.2962 -2.2962 2.3373 2.3373 2.3391 2.3391 3.9406 3.9406 3.9435 3.9435 4.5350 4.5350 4.5505 4.5505 4.7976 4.7976 4.8279 4.8279 5.1029 5.1029 5.1233 5.1233 5.7564 5.7564 5.7665 5.7665 6.0128 6.0128 6.0364 6.0364 6.5017 6.5017 6.5097 6.5097 11.3726 11.3726 11.4144 11.4144 11.6762 11.6762 k = 0.5000 0.3855 0.2268 ( 3168 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3385 2.3385 2.3385 2.3385 3.9408 3.9408 3.9408 3.9408 4.5455 4.5455 4.5455 4.5455 4.8106 4.8106 4.8106 4.8106 5.1135 5.1135 5.1135 5.1135 5.7659 5.7659 5.7659 5.7659 6.0183 6.0183 6.0183 6.0183 6.5034 6.5034 6.5034 6.5034 11.3999 11.3999 11.3999 11.3999 11.6967 11.6967 k = 0.5000 0.3855 0.2268 ( 3168 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3385 2.3385 2.3385 2.3385 3.9408 3.9408 3.9408 3.9408 4.5455 4.5455 4.5455 4.5455 4.8106 4.8106 4.8106 4.8106 5.1135 5.1135 5.1135 5.1135 5.7659 5.7659 5.7659 5.7659 6.0183 6.0183 6.0183 6.0183 6.5034 6.5034 6.5034 6.5034 11.3999 11.3999 11.3999 11.3999 11.6967 11.6967 k = 0.4900 0.3855 0.2268 ( 3168 PWs) bands (ev): -2.2996 -2.2996 -2.2982 -2.2982 2.3427 2.3427 2.3436 2.3436 3.9304 3.9304 3.9471 3.9471 4.5413 4.5413 4.5501 4.5501 4.8054 4.8054 4.8149 4.8149 5.1131 5.1131 5.1132 5.1132 5.7441 5.7441 5.7789 5.7789 6.0040 6.0040 6.0361 6.0361 6.5069 6.5069 6.5100 6.5100 11.3824 11.3824 11.4072 11.4072 11.6800 11.6800 k = 0.4800 0.3855 0.2268 ( 3172 PWs) bands (ev): -2.3104 -2.3104 -2.3077 -2.3077 2.3559 2.3559 2.3579 2.3579 3.9161 3.9161 3.9494 3.9494 4.5373 4.5373 4.5550 4.5550 4.7995 4.7995 4.8182 4.8182 5.1120 5.1120 5.1120 5.1120 5.7164 5.7164 5.7809 5.7809 5.9960 5.9960 6.0545 6.0545 6.5204 6.5204 6.5264 6.5264 11.3582 11.3582 11.4028 11.4028 11.6679 11.6679 k = 0.4700 0.3855 0.2268 ( 3180 PWs) bands (ev): -2.3279 -2.3279 -2.3237 -2.3237 2.3777 2.3777 2.3812 2.3812 3.8980 3.8980 3.9477 3.9477 4.5339 4.5339 4.5602 4.5602 4.7931 4.7931 4.8204 4.8204 5.1100 5.1100 5.1101 5.1101 5.6852 5.6852 5.7717 5.7717 5.9949 5.9949 6.0720 6.0720 6.5431 6.5431 6.5513 6.5513 11.3312 11.3312 11.3883 11.3883 11.6583 11.6583 k = 0.4600 0.3855 0.2268 ( 3180 PWs) bands (ev): -2.3516 -2.3516 -2.3462 -2.3462 2.4076 2.4076 2.4129 2.4129 3.8762 3.8762 3.9422 3.9422 4.5310 4.5310 4.5657 4.5657 4.7864 4.7864 4.8217 4.8217 5.1074 5.1074 5.1078 5.1078 5.6525 5.6525 5.7542 5.7542 5.9994 5.9994 6.0878 6.0878 6.5733 6.5733 6.5836 6.5836 11.3043 11.3043 11.3679 11.3679 11.6469 11.6469 k = 0.4500 0.3855 0.2268 ( 3180 PWs) bands (ev): -2.3812 -2.3812 -2.3746 -2.3746 2.4446 2.4446 2.4524 2.4524 3.8511 3.8511 3.9330 3.9330 4.5288 4.5288 4.5716 4.5716 4.7798 4.7798 4.8223 4.8223 5.1040 5.1040 5.1050 5.1050 5.6195 5.6195 5.7316 5.7316 6.0072 6.0072 6.1021 6.1021 6.6093 6.6093 6.6213 6.6213 11.2797 11.2797 11.3455 11.3455 11.6296 11.6296 k = 0.4400 0.3855 0.2268 ( 3188 PWs) bands (ev): -2.4163 -2.4163 -2.4086 -2.4086 2.4878 2.4878 2.4987 2.4987 3.8231 3.8231 3.9207 3.9207 4.5275 4.5275 4.5779 4.5779 4.7736 4.7736 4.8222 4.8222 5.1000 5.1000 5.1019 5.1019 5.5871 5.5871 5.7068 5.7068 6.0164 6.0164 6.1151 6.1151 6.6490 6.6490 6.6631 6.6631 11.2593 11.2593 11.3243 11.3243 11.6044 11.6044 k = 0.4300 0.3855 0.2268 ( 3188 PWs) bands (ev): -2.4563 -2.4563 -2.4477 -2.4477 2.5356 2.5356 2.5508 2.5508 3.7928 3.7928 3.9060 3.9060 4.5273 4.5273 4.5847 4.5847 4.7679 4.7679 4.8218 4.8218 5.0956 5.0956 5.0987 5.0987 5.5562 5.5562 5.6817 5.6817 6.0262 6.0262 6.1275 6.1275 6.6908 6.6908 6.7071 6.7071 11.2441 11.2441 11.3061 11.3061 11.5712 11.5712 k = 0.4200 0.3855 0.2268 ( 3188 PWs) bands (ev): -2.5009 -2.5009 -2.4913 -2.4913 2.5867 2.5867 2.6072 2.6072 3.7611 3.7611 3.8898 3.8898 4.5284 4.5284 4.5919 4.5919 4.7631 4.7631 4.8212 4.8212 5.0908 5.0908 5.0954 5.0954 5.5270 5.5270 5.6573 5.6573 6.0364 6.0364 6.1397 6.1397 6.7329 6.7329 6.7521 6.7521 11.2346 11.2346 11.2911 11.2911 11.5322 11.5322 k = 0.4100 0.3855 0.2268 ( 3184 PWs) bands (ev): -2.5494 -2.5494 -2.5390 -2.5390 2.6388 2.6388 2.6661 2.6661 3.7292 3.7292 3.8735 3.8735 4.5310 4.5310 4.5997 4.5997 4.7591 4.7591 4.8208 4.8208 5.0857 5.0857 5.0924 5.0924 5.5000 5.5000 5.6344 5.6344 6.0468 6.0468 6.1523 6.1523 6.7742 6.7742 6.7969 6.7969 11.2307 11.2307 11.2776 11.2776 11.4919 11.4919 k = 0.4000 0.3855 0.2268 ( 3184 PWs) bands (ev): -2.6013 -2.6013 -2.5902 -2.5902 2.6899 2.6899 2.7252 2.7252 3.6986 3.6986 3.8588 3.8588 4.5351 4.5351 4.6078 4.6078 4.7561 4.7561 4.8207 4.8207 5.0806 5.0806 5.0897 5.0897 5.4752 5.4752 5.6132 5.6132 6.0576 6.0576 6.1655 6.1655 6.8134 6.8134 6.8403 6.8403 11.2301 11.2301 11.2602 11.2602 11.4585 11.4585 k = 0.3900 0.3855 0.2268 ( 3180 PWs) bands (ev): -2.6561 -2.6561 -2.6445 -2.6445 2.7372 2.7372 2.7817 2.7817 3.6717 3.6717 3.8475 3.8475 4.5409 4.5409 4.6163 4.6163 4.7542 4.7542 4.8211 4.8211 5.0755 5.0755 5.0877 5.0877 5.4529 5.4529 5.5940 5.5940 6.0690 6.0690 6.1799 6.1799 6.8498 6.8498 6.8816 6.8816 11.2278 11.2278 11.2302 11.2302 11.4428 11.4428 k = 0.3800 0.3855 0.2268 ( 3192 PWs) bands (ev): -2.7133 -2.7133 -2.7012 -2.7012 2.7781 2.7781 2.8321 2.8321 3.6511 3.6511 3.8419 3.8419 4.5485 4.5485 4.6250 4.6250 4.7532 4.7532 4.8221 4.8221 5.0708 5.0708 5.0864 5.0864 5.4330 5.4330 5.5768 5.5768 6.0812 6.0812 6.1956 6.1956 6.8827 6.8827 6.9203 6.9203 11.1840 11.1840 11.2141 11.2141 11.4505 11.4505 k = 0.3700 0.3855 0.2268 ( 3196 PWs) bands (ev): -2.7725 -2.7725 -2.7600 -2.7600 2.8099 2.8099 2.8724 2.8724 3.6401 3.6401 3.8437 3.8437 4.5577 4.5577 4.6338 4.6338 4.7533 4.7533 4.8238 4.8238 5.0666 5.0666 5.0862 5.0862 5.4157 5.4157 5.5619 5.5619 6.0945 6.0945 6.2132 6.2132 6.9119 6.9119 6.9559 6.9559 11.1257 11.1257 11.1808 11.1808 11.4792 11.4792 k = 0.3600 0.3855 0.2268 ( 3188 PWs) bands (ev): -2.8331 -2.8331 -2.8203 -2.8203 2.8304 2.8304 2.8990 2.8990 3.6417 3.6417 3.8544 3.8544 4.5687 4.5687 4.6427 4.6427 4.7545 4.7545 4.8262 4.8262 5.0633 5.0633 5.0873 5.0873 5.4014 5.4014 5.5493 5.5493 6.1093 6.1093 6.2330 6.2330 6.9372 6.9372 6.9886 6.9886 11.0605 11.0605 11.1295 11.1295 11.5197 11.5197 k = 0.3500 0.3855 0.2268 ( 3192 PWs) bands (ev): -2.8949 -2.8949 -2.8819 -2.8819 2.8387 2.8387 2.9093 2.9093 3.6574 3.6574 3.8741 3.8741 4.5811 4.5811 4.6512 4.6512 4.7569 4.7569 4.8292 4.8292 5.0609 5.0609 5.0896 5.0896 5.3903 5.3903 5.5392 5.5392 6.1257 6.1257 6.2552 6.2552 6.9588 6.9588 7.0184 7.0184 10.9917 10.9917 11.0675 11.0675 11.5748 11.5748 k = 0.3400 0.3855 0.2268 ( 3192 PWs) bands (ev): -2.9574 -2.9574 -2.9442 -2.9442 2.8345 2.8345 2.9034 2.9034 3.6865 3.6865 3.9018 3.9018 4.5944 4.5944 4.6593 4.6593 4.7607 4.7607 4.8325 4.8325 5.0597 5.0597 5.0932 5.0932 5.3828 5.3828 5.5316 5.5316 6.1440 6.1440 6.2803 6.2803 6.9769 6.9769 7.0457 7.0457 10.9214 10.9214 11.0002 11.0002 11.6467 11.6467 k = 0.3300 0.3855 0.2268 ( 3200 PWs) bands (ev): -3.0202 -3.0202 -3.0070 -3.0070 2.8191 2.8191 2.8832 2.8832 3.7263 3.7263 3.9356 3.9356 4.6080 4.6080 4.6668 4.6668 4.7660 4.7660 4.8359 4.8359 5.0600 5.0600 5.0977 5.0977 5.3797 5.3797 5.5269 5.5269 6.1644 6.1644 6.3084 6.3084 6.9924 6.9924 7.0712 7.0712 10.8507 10.8507 10.9307 10.9307 11.7328 11.7328 k = 0.3200 0.3855 0.2268 ( 3212 PWs) bands (ev): -3.0832 -3.0832 -3.0700 -3.0700 2.7940 2.7940 2.8518 2.8518 3.7729 3.7729 3.9730 3.9730 4.6211 4.6211 4.6734 4.6734 4.7732 4.7732 4.8392 4.8392 5.0618 5.0618 5.1026 5.1026 5.3815 5.3815 5.5253 5.5253 6.1873 6.1873 6.3398 6.3398 7.0061 7.0061 7.0960 7.0960 10.7802 10.7802 10.8605 10.8605 11.8313 11.8313 k = 0.3100 0.3855 0.2268 ( 3216 PWs) bands (ev): -3.1460 -3.1460 -3.1328 -3.1328 2.7612 2.7612 2.8121 2.8121 3.8228 3.8228 4.0114 4.0114 4.6325 4.6325 4.6790 4.6790 4.7825 4.7825 4.8420 4.8420 5.0652 5.0652 5.1074 5.1074 5.3889 5.3889 5.5270 5.5270 6.2125 6.2125 6.3743 6.3743 7.0197 7.0197 7.1214 7.1214 10.7107 10.7107 10.7907 10.7907 11.9413 11.9413 k = 0.3000 0.3855 0.2268 ( 3220 PWs) bands (ev): -3.2083 -3.2083 -3.1952 -3.1952 2.7223 2.7223 2.7666 2.7666 3.8731 3.8731 4.0490 4.0490 4.6415 4.6415 4.6837 4.6837 4.7938 4.7938 4.8444 4.8444 5.0700 5.0700 5.1112 5.1112 5.4020 5.4020 5.5323 5.5323 6.2399 6.2399 6.4113 6.4113 7.0350 7.0350 7.1491 7.1491 10.6424 10.6424 10.7219 10.7219 12.0619 12.0619 k = 0.2900 0.3855 0.2268 ( 3216 PWs) bands (ev): -3.2699 -3.2699 -3.2570 -3.2570 2.6791 2.6791 2.7172 2.7172 3.9217 3.9217 4.0842 4.0842 4.6476 4.6476 4.6872 4.6872 4.8068 4.8068 4.8462 4.8462 5.0757 5.0757 5.1138 5.1138 5.4203 5.4203 5.5410 5.5410 6.2689 6.2689 6.4495 6.4495 7.0549 7.0549 7.1811 7.1811 10.5756 10.5756 10.6546 10.6546 12.1924 12.1924 k = 0.2800 0.3855 0.2268 ( 3220 PWs) bands (ev): -3.3307 -3.3307 -3.3179 -3.3179 2.6326 2.6326 2.6654 2.6654 3.9673 3.9673 4.1162 4.1162 4.6508 4.6508 4.6895 4.6895 4.8206 4.8206 4.8474 4.8474 5.0818 5.0818 5.1151 5.1151 5.4426 5.4426 5.5527 5.5527 6.2986 6.2986 6.4866 6.4866 7.0829 7.0829 7.2200 7.2200 10.5105 10.5105 10.5889 10.5889 12.3292 12.3292 k = 0.2700 0.3855 0.2268 ( 3220 PWs) bands (ev): -3.3904 -3.3904 -3.3779 -3.3779 2.5841 2.5841 2.6122 2.6122 4.0091 4.0091 4.1446 4.1446 4.6514 4.6514 4.6907 4.6907 4.8347 4.8347 4.8483 4.8483 5.0877 5.0877 5.1154 5.1154 5.4677 5.4677 5.5670 5.5670 6.3275 6.3275 6.5197 6.5197 7.1229 7.1229 7.2681 7.2681 10.4473 10.4473 10.5252 10.5252 12.4745 12.4745 k = 0.2600 0.3855 0.2268 ( 3216 PWs) bands (ev): -3.4489 -3.4489 -3.4366 -3.4366 2.5342 2.5342 2.5583 2.5583 4.0468 4.0468 4.1694 4.1694 4.6498 4.6498 4.6908 4.6908 4.8484 4.8484 4.8488 4.8488 5.0931 5.0931 5.1151 5.1151 5.4941 5.4941 5.5831 5.5831 6.3541 6.3541 6.5459 6.5459 7.1787 7.1787 7.3281 7.3281 10.3861 10.3861 10.4636 10.4636 12.6280 12.6280 k = 0.2500 0.3855 0.2268 ( 3212 PWs) bands (ev): -3.5060 -3.5060 -3.4940 -3.4940 2.4838 2.4838 2.5043 2.5043 4.0803 4.0803 4.1909 4.1909 4.6464 4.6464 4.6896 4.6896 4.8491 4.8491 4.8614 4.8614 5.0977 5.0977 5.1147 5.1147 5.5204 5.5204 5.5999 5.5999 6.3768 6.3768 6.5633 6.5633 7.2527 7.2527 7.4019 7.4019 10.3270 10.3270 10.4042 10.4042 12.7890 12.7890 k = 0.2400 0.3855 0.2268 ( 3200 PWs) bands (ev): -3.5616 -3.5616 -3.5499 -3.5499 2.4332 2.4332 2.4508 2.4508 4.1097 4.1097 4.2093 4.2093 4.6416 4.6416 4.6875 4.6875 4.8493 4.8493 4.8736 4.8736 5.1015 5.1015 5.1147 5.1147 5.5455 5.5455 5.6167 5.6167 6.3943 6.3943 6.5714 6.5714 7.3453 7.3453 7.4909 7.4909 10.2700 10.2700 10.3473 10.3473 12.9572 12.9572 k = 0.2300 0.3855 0.2268 ( 3200 PWs) bands (ev): -3.6155 -3.6155 -3.6042 -3.6042 2.3829 2.3829 2.3980 2.3980 4.1352 4.1352 4.2249 4.2249 4.6357 4.6357 4.6842 4.6842 4.8493 4.8493 4.8848 4.8848 5.1048 5.1048 5.1154 5.1154 5.5687 5.5687 5.6327 5.6327 6.4060 6.4060 6.5712 6.5712 7.4554 7.4554 7.5952 7.5952 10.2154 10.2154 10.2928 10.2928 13.1320 13.1320 k = 0.2200 0.3855 0.2268 ( 3208 PWs) bands (ev): -3.6678 -3.6678 -3.6568 -3.6568 2.3334 2.3334 2.3462 2.3462 4.1573 4.1573 4.2380 4.2380 4.6290 4.6290 4.6799 4.6799 4.8493 4.8493 4.8948 4.8948 5.1077 5.1077 5.1170 5.1170 5.5897 5.5897 5.6474 5.6474 6.4120 6.4120 6.5642 6.5642 7.5808 7.5808 7.7145 7.7145 10.1630 10.1630 10.2409 10.2409 13.3129 13.3129 k = 0.2100 0.3855 0.2268 ( 3208 PWs) bands (ev): -3.7182 -3.7182 -3.7076 -3.7076 2.2849 2.2849 2.2958 2.2958 4.1761 4.1761 4.2490 4.2490 4.6217 4.6217 4.6748 4.6748 4.8493 4.8493 4.9037 4.9037 5.1108 5.1108 5.1198 5.1198 5.6082 5.6082 5.6606 5.6606 6.4127 6.4127 6.5521 6.5521 7.7193 7.7193 7.8474 7.8474 10.1129 10.1129 10.1918 10.1918 13.4996 13.4996 k = 0.2000 0.3855 0.2268 ( 3204 PWs) bands (ev): -3.7667 -3.7667 -3.7565 -3.7565 2.2376 2.2376 2.2470 2.2470 4.1922 4.1922 4.2581 4.2581 4.6141 4.6141 4.6689 4.6689 4.8493 4.8493 4.9114 4.9114 5.1145 5.1145 5.1240 5.1240 5.6243 5.6243 5.6720 5.6720 6.4088 6.4088 6.5361 6.5361 7.8687 7.8687 7.9924 7.9924 10.0652 10.0652 10.1455 10.1455 13.6916 13.6916 k = 0.1900 0.3855 0.2268 ( 3204 PWs) bands (ev): -3.8132 -3.8132 -3.8034 -3.8034 2.1918 2.1918 2.1998 2.1998 4.2057 4.2057 4.2655 4.2655 4.6063 4.6063 4.6623 4.6623 4.8494 4.8494 4.9176 4.9176 5.1191 5.1191 5.1294 5.1294 5.6379 5.6379 5.6817 5.6817 6.4013 6.4013 6.5174 6.5174 8.0270 8.0270 8.1479 8.1479 10.0200 10.0200 10.1023 10.1023 13.8886 13.8886 k = 0.1800 0.3855 0.2268 ( 3188 PWs) bands (ev): -3.8576 -3.8576 -3.8483 -3.8483 2.1476 2.1476 2.1544 2.1544 4.2171 4.2171 4.2715 4.2715 4.5985 4.5985 4.6552 4.6552 4.8497 4.8497 4.9225 4.9225 5.1249 5.1249 5.1363 5.1363 5.6493 5.6493 5.6897 5.6897 6.3908 6.3908 6.4969 6.4969 8.1923 8.1923 8.3121 8.3121 9.9772 9.9772 10.0623 10.0623 14.0900 14.0900 k = 0.1700 0.3855 0.2268 ( 3200 PWs) bands (ev): -3.8999 -3.8999 -3.8910 -3.8910 2.1052 2.1052 2.1109 2.1109 4.2264 4.2264 4.2760 4.2760 4.5907 4.5907 4.6476 4.6476 4.8500 4.8500 4.9259 4.9259 5.1319 5.1319 5.1443 5.1443 5.6585 5.6585 5.6959 5.6959 6.3781 6.3781 6.4751 6.4751 8.3627 8.3627 8.4834 8.4834 9.9369 9.9369 10.0260 10.0260 14.2956 14.2956 k = 0.1600 0.3855 0.2268 ( 3188 PWs) bands (ev): -3.9400 -3.9400 -3.9316 -3.9316 2.0647 2.0647 2.0696 2.0696 4.2341 4.2341 4.2795 4.2795 4.5832 4.5832 4.6397 4.6397 4.8505 4.8505 4.9280 4.9280 5.1403 5.1403 5.1536 5.1536 5.6658 5.6658 5.7006 5.7006 6.3639 6.3639 6.4528 6.4528 8.5364 8.5364 8.6602 8.6602 9.8993 9.8993 9.9939 9.9939 14.5048 14.5048 k = 0.1500 0.3855 0.2268 ( 3188 PWs) bands (ev): -3.9779 -3.9779 -3.9700 -3.9700 2.0263 2.0263 2.0304 2.0304 4.2402 4.2402 4.2818 4.2818 4.5760 4.5760 4.6314 4.6314 4.8512 4.8512 4.9288 4.9288 5.1501 5.1501 5.1638 5.1638 5.6713 5.6713 5.7037 5.7037 6.3488 6.3488 6.4302 6.4302 8.7111 8.7111 8.8408 8.8408 9.8645 9.8645 9.9668 9.9668 14.7173 14.7173 k = 0.1400 0.3855 0.2268 ( 3192 PWs) bands (ev): -4.0135 -4.0135 -4.0061 -4.0061 1.9899 1.9899 1.9934 1.9934 4.2452 4.2452 4.2833 4.2833 4.5691 4.5691 4.6231 4.6231 4.8522 4.8522 4.9285 4.9285 5.1611 5.1611 5.1749 5.1749 5.6750 5.6750 5.7054 5.7054 6.3332 6.3332 6.4077 6.4077 8.8842 8.8842 9.0235 9.0235 9.8329 9.8329 9.9462 9.9462 14.9327 14.9327 k = 0.1300 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.0468 -4.0468 -4.0398 -4.0398 1.9558 1.9558 1.9587 1.9587 4.2491 4.2491 4.2840 4.2840 4.5627 4.5627 4.6146 4.6146 4.8533 4.8533 4.9273 4.9273 5.1731 5.1731 5.1868 5.1868 5.6773 5.6773 5.7057 5.7057 6.3175 6.3175 6.3856 6.3856 9.0519 9.0519 9.2061 9.2061 9.8053 9.8053 9.9346 9.9346 15.1502 15.1502 k = 0.1200 0.3855 0.2268 ( 3192 PWs) bands (ev): -4.0777 -4.0777 -4.0713 -4.0713 1.9240 1.9240 1.9264 1.9264 4.2521 4.2521 4.2840 4.2840 4.5568 4.5568 4.6062 4.6062 4.8548 4.8548 4.9254 4.9254 5.1859 5.1859 5.1993 5.1993 5.6782 5.6782 5.7048 5.7048 6.3022 6.3022 6.3643 6.3643 9.2081 9.2081 9.3844 9.3844 9.7845 9.7845 9.9366 9.9366 15.3693 15.3693 k = 0.1100 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.1062 -4.1062 -4.1003 -4.1003 1.8945 1.8945 1.8965 1.8965 4.2544 4.2544 4.2834 4.2834 4.5514 4.5514 4.5979 4.5979 4.8565 4.8565 4.9230 4.9230 5.1992 5.1992 5.2121 5.2121 5.6778 5.6778 5.7026 5.7026 6.2875 6.2875 6.3439 6.3439 9.3439 9.3439 9.5457 9.5457 9.7814 9.7814 9.9599 9.9599 15.5892 15.5892 k = 0.1000 0.3855 0.2268 ( 3200 PWs) bands (ev): -4.1324 -4.1324 -4.1269 -4.1269 1.8674 1.8674 1.8690 1.8690 4.2561 4.2561 4.2824 4.2824 4.5466 4.5466 4.5899 4.5899 4.8584 4.8584 4.9202 4.9202 5.2128 5.2128 5.2251 5.2251 5.6764 5.6764 5.6994 5.6994 6.2736 6.2736 6.3246 6.3246 9.4479 9.4479 9.6416 9.6416 9.8428 9.8428 10.0140 10.0140 15.8087 15.8087 k = 0.0900 0.3855 0.2268 ( 3204 PWs) bands (ev): -4.1560 -4.1560 -4.1511 -4.1511 1.8427 1.8427 1.8441 1.8441 4.2574 4.2574 4.2810 4.2810 4.5424 4.5424 4.5821 4.5821 4.8605 4.8605 4.9171 4.9171 5.2266 5.2266 5.2380 5.2380 5.6740 5.6740 5.6953 5.6953 6.2609 6.2609 6.3065 6.3065 9.5148 9.5148 9.6560 9.6560 9.9832 9.9832 10.1027 10.1027 16.0260 16.0260 k = 0.0800 0.3855 0.2268 ( 3204 PWs) bands (ev): -4.1772 -4.1772 -4.1729 -4.1729 1.8206 1.8206 1.8217 1.8217 4.2584 4.2584 4.2794 4.2794 4.5388 4.5388 4.5747 4.5747 4.8628 4.8628 4.9138 4.9138 5.2402 5.2402 5.2508 5.2508 5.6709 5.6709 5.6904 5.6904 6.2494 6.2494 6.2898 6.2898 9.5507 9.5507 9.6471 9.6471 10.1418 10.1418 10.2176 10.2176 16.2375 16.2375 k = 0.0700 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.1960 -4.1960 -4.1921 -4.1921 1.8009 1.8009 1.8018 1.8018 4.2593 4.2593 4.2776 4.2776 4.5360 4.5360 4.5679 4.5679 4.8653 4.8653 4.9104 4.9104 5.2533 5.2533 5.2630 5.2630 5.6674 5.6674 5.6849 5.6849 6.2394 6.2394 6.2747 6.2747 9.5675 9.5675 9.6342 9.6342 10.2972 10.2972 10.3446 10.3446 16.4337 16.4337 k = 0.0600 0.3855 0.2268 ( 3192 PWs) bands (ev): -4.2122 -4.2122 -4.2089 -4.2089 1.7839 1.7839 1.7846 1.7846 4.2600 4.2600 4.2757 4.2757 4.5339 4.5339 4.5615 4.5615 4.8680 4.8680 4.9069 4.9069 5.2658 5.2658 5.2744 5.2744 5.6637 5.6637 5.6791 5.6791 6.2309 6.2309 6.2611 6.2611 9.5741 9.5741 9.6213 9.6213 10.4428 10.4428 10.4722 10.4722 16.5746 16.5746 k = 0.0500 0.3855 0.2268 ( 3184 PWs) bands (ev): -4.2259 -4.2259 -4.2231 -4.2231 1.7694 1.7694 1.7700 1.7700 4.2607 4.2607 4.2738 4.2738 4.5324 4.5324 4.5556 4.5556 4.8708 4.8708 4.9035 4.9035 5.2772 5.2772 5.2847 5.2847 5.6600 5.6600 5.6732 5.6732 6.2240 6.2240 6.2491 6.2491 9.5758 9.5758 9.6094 9.6094 10.5743 10.5743 10.5922 10.5922 16.5694 16.5694 k = 0.0400 0.3855 0.2268 ( 3184 PWs) bands (ev): -4.2370 -4.2370 -4.2348 -4.2348 1.7575 1.7575 1.7580 1.7580 4.2614 4.2614 4.2719 4.2719 4.5316 4.5316 4.5503 4.5503 4.8737 4.8737 4.8999 4.8999 5.2874 5.2874 5.2935 5.2935 5.6566 5.6566 5.6675 5.6675 6.2187 6.2187 6.2388 6.2388 9.5753 9.5753 9.5992 9.5992 10.6883 10.6883 10.6988 10.6988 16.4824 16.4824 k = 0.0300 0.3855 0.2268 ( 3192 PWs) bands (ev): -4.2457 -4.2457 -4.2440 -4.2440 1.7483 1.7483 1.7486 1.7486 4.2621 4.2621 4.2700 4.2700 4.5314 4.5314 4.5455 4.5455 4.8767 4.8767 4.8964 4.8964 5.2959 5.2959 5.3006 5.3006 5.6539 5.6539 5.6622 5.6622 6.2151 6.2151 6.2302 6.2302 9.5743 9.5743 9.5906 9.5906 10.7812 10.7812 10.7871 10.7871 16.3945 16.3946 k = 0.0200 0.3855 0.2268 ( 3200 PWs) bands (ev): -4.2518 -4.2518 -4.2507 -4.2507 1.7417 1.7417 1.7419 1.7419 4.2630 4.2630 4.2683 4.2683 4.5320 4.5320 4.5414 4.5414 4.8797 4.8797 4.8929 4.8929 5.3024 5.3024 5.3056 5.3056 5.6521 5.6521 5.6577 5.6577 6.2133 6.2133 6.2233 6.2233 9.5736 9.5736 9.5839 9.5839 10.8502 10.8502 10.8532 10.8532 16.3268 16.3268 k = 0.0100 0.3855 0.2268 ( 3200 PWs) bands (ev): -4.2553 -4.2553 -4.2548 -4.2548 1.7377 1.7377 1.7378 1.7378 4.2641 4.2641 4.2667 4.2667 4.5333 4.5333 4.5380 4.5380 4.8829 4.8829 4.8895 4.8895 5.3068 5.3068 5.3084 5.3084 5.6516 5.6516 5.6544 5.6544 6.2132 6.2132 6.2182 6.2182 9.5740 9.5740 9.5790 9.5790 10.8928 10.8928 10.8940 10.8940 16.2865 16.2866 k = 0.0000 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.2563 -4.2563 -4.2563 -4.2563 1.7365 1.7365 1.7365 1.7365 4.2653 4.2653 4.2653 4.2653 4.5354 4.5354 4.5354 4.5354 4.8862 4.8862 4.8862 4.8862 5.3088 5.3088 5.3088 5.3088 5.6523 5.6523 5.6523 5.6523 6.2148 6.2148 6.2148 6.2148 9.5757 9.5757 9.5757 9.5757 10.9076 10.9076 10.9076 10.9076 16.2770 16.2770 k = 0.0000 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.2563 -4.2563 -4.2563 -4.2563 1.7365 1.7365 1.7365 1.7365 4.2653 4.2653 4.2653 4.2653 4.5354 4.5354 4.5354 4.5354 4.8862 4.8862 4.8862 4.8862 5.3088 5.3088 5.3088 5.3088 5.6523 5.6523 5.6523 5.6523 6.2148 6.2148 6.2148 6.2148 9.5757 9.5757 9.5757 9.5757 10.9076 10.9076 10.9076 10.9076 16.2770 16.2770 k = 0.0000 0.3756 0.2268 ( 3196 PWs) bands (ev): -4.2606 -4.2606 -4.2539 -4.2539 1.7200 1.7200 1.7575 1.7575 4.2526 4.2526 4.2774 4.2774 4.5318 4.5318 4.5375 4.5375 4.8677 4.8677 4.9049 4.9049 5.2925 5.2925 5.3273 5.3273 5.6354 5.6354 5.6691 5.6691 6.1951 6.1951 6.2343 6.2343 9.5589 9.5589 9.5991 9.5991 10.9010 10.9010 10.9127 10.9127 16.2691 16.2692 k = 0.0000 0.3657 0.2268 ( 3204 PWs) bands (ev): -4.2665 -4.2665 -4.2532 -4.2532 1.7082 1.7082 1.7832 1.7832 4.2395 4.2395 4.2883 4.2883 4.5267 4.5267 4.5385 4.5385 4.8495 4.8495 4.9238 4.9238 5.2788 5.2788 5.3474 5.3474 5.6183 5.6183 5.6858 5.6858 6.1752 6.1752 6.2537 6.2537 9.5491 9.5491 9.6289 9.6289 10.8930 10.8930 10.9164 10.9164 16.2579 16.2579 k = 0.0000 0.3559 0.2268 ( 3204 PWs) bands (ev): -4.2742 -4.2742 -4.2543 -4.2543 1.7009 1.7009 1.8134 1.8134 4.2265 4.2265 4.2972 4.2972 4.5202 4.5202 4.5389 4.5389 4.8319 4.8319 4.9430 4.9430 5.2683 5.2683 5.3685 5.3685 5.6013 5.6013 5.7023 5.7023 6.1553 6.1553 6.2730 6.2730 9.5462 9.5462 9.6647 9.6647 10.8836 10.8836 10.9186 10.9186 16.2434 16.2434 k = 0.0000 0.3460 0.2268 ( 3204 PWs) bands (ev): -4.2836 -4.2836 -4.2571 -4.2571 1.6981 1.6981 1.8480 1.8480 4.2138 4.2138 4.3031 4.3031 4.5128 4.5128 4.5395 4.5395 4.8149 4.8149 4.9621 4.9621 5.2610 5.2610 5.3898 5.3898 5.5844 5.5844 5.7185 5.7185 6.1353 6.1353 6.2922 6.2922 9.5507 9.5507 9.7063 9.7063 10.8729 10.8729 10.9195 10.9195 16.2255 16.2255 k = 0.0000 0.3361 0.2268 ( 3200 PWs) bands (ev): -4.2946 -4.2946 -4.2615 -4.2615 1.6995 1.6995 1.8870 1.8870 4.2016 4.2016 4.3048 4.3048 4.5051 4.5051 4.5413 4.5413 4.7986 4.7986 4.9813 4.9813 5.2571 5.2571 5.4106 5.4106 5.5677 5.5677 5.7344 5.7344 6.1154 6.1154 6.3115 6.3115 9.5625 9.5625 9.7533 9.7533 10.8610 10.8610 10.9190 10.9190 16.2041 16.2041 k = 0.0000 0.3262 0.2268 ( 3202 PWs) bands (ev): -4.3072 -4.3072 -4.2675 -4.2675 1.7051 1.7051 1.9299 1.9299 4.1900 4.1900 4.3013 4.3013 4.4976 4.4976 4.5452 4.5452 4.7831 4.7831 5.0005 5.0005 5.2565 5.2565 5.4302 5.4302 5.5514 5.5514 5.7500 5.7500 6.0958 6.0958 6.3308 6.3308 9.5816 9.5816 9.8052 9.8052 10.8481 10.8481 10.9173 10.9173 16.1790 16.1790 k = 0.0000 0.3163 0.2268 ( 3200 PWs) bands (ev): -4.3212 -4.3212 -4.2750 -4.2750 1.7146 1.7146 1.9767 1.9767 4.1793 4.1793 4.2917 4.2917 4.4908 4.4908 4.5521 4.5521 4.7686 4.7686 5.0197 5.0197 5.2588 5.2588 5.4476 5.4476 5.5362 5.5362 5.7651 5.7651 6.0766 6.0766 6.3504 6.3504 9.6082 9.6082 9.8618 9.8618 10.8343 10.8343 10.9144 10.9144 16.1491 16.1491 k = 0.0000 0.3064 0.2268 ( 3196 PWs) bands (ev): -4.3365 -4.3365 -4.2838 -4.2838 1.7278 1.7278 2.0270 2.0270 4.1697 4.1697 4.2763 4.2763 4.4850 4.4850 4.5623 4.5623 4.7550 4.7550 5.0388 5.0388 5.2637 5.2637 5.4610 5.4610 5.5232 5.5232 5.7798 5.7798 6.0581 6.0581 6.3702 6.3702 9.6419 9.6419 9.9226 9.9226 10.8201 10.8201 10.9103 10.9103 16.1118 16.1118 k = 0.0000 0.2965 0.2268 ( 3194 PWs) bands (ev): -4.3531 -4.3531 -4.2940 -4.2940 1.7444 1.7444 2.0804 2.0804 4.1612 4.1612 4.2558 4.2558 4.4803 4.4803 4.5760 4.5760 4.7423 4.7423 5.0579 5.0579 5.2708 5.2708 5.4671 5.4671 5.5154 5.5154 5.7940 5.7940 6.0406 6.0406 6.3905 6.3905 9.6828 9.6828 9.9871 9.9871 10.8056 10.8056 10.9052 10.9052 16.0561 16.0561 k = 0.0000 0.2867 0.2268 ( 3194 PWs) bands (ev): -4.3708 -4.3708 -4.3054 -4.3054 1.7641 1.7641 2.1365 2.1365 4.1538 4.1538 4.2317 4.2317 4.4767 4.4767 4.5925 4.5925 4.7307 4.7307 5.0769 5.0769 5.2795 5.2795 5.4632 5.4632 5.5155 5.5155 5.8077 5.8077 6.0245 6.0245 6.4113 6.4113 9.7303 9.7303 10.0547 10.0547 10.7915 10.7915 10.8993 10.8993 15.9468 15.9468 k = 0.0000 0.2768 0.2268 ( 3186 PWs) bands (ev): -4.3895 -4.3895 -4.3178 -4.3178 1.7867 1.7867 2.1948 2.1948 4.1471 4.1471 4.2058 4.2058 4.4743 4.4743 4.6113 4.6113 4.7203 4.7203 5.0956 5.0956 5.2893 5.2893 5.4529 5.4529 5.5196 5.5196 5.8208 5.8208 6.0101 6.0101 6.4328 6.4328 9.7841 9.7841 10.1248 10.1248 10.7786 10.7786 10.8925 10.8925 15.7661 15.7661 k = 0.0000 0.2669 0.2268 ( 3186 PWs) bands (ev): -4.4090 -4.4090 -4.3311 -4.3311 1.8117 1.8117 2.2547 2.2547 4.1384 4.1384 4.1820 4.1820 4.4731 4.4731 4.6315 4.6315 4.7115 4.7115 5.1140 5.1140 5.2996 5.2996 5.4407 5.4407 5.5234 5.5234 5.8331 5.8331 5.9977 5.9977 6.4551 6.4551 9.8434 9.8434 10.1965 10.1965 10.7677 10.7677 10.8851 10.8851 15.5423 15.5423 k = 0.0000 0.2570 0.2268 ( 3184 PWs) bands (ev): -4.4291 -4.4291 -4.3453 -4.3453 1.8390 1.8390 2.3156 2.3156 4.1211 4.1211 4.1682 4.1682 4.4734 4.4734 4.6511 4.6511 4.7058 4.7058 5.1321 5.1321 5.3093 5.3093 5.4288 5.4288 5.5250 5.5250 5.8447 5.8447 5.9877 5.9877 6.4785 6.4785 9.9073 9.9073 10.2688 10.2688 10.7606 10.7606 10.8772 10.8772 15.2987 15.2987 k = 0.0000 0.2471 0.2268 ( 3188 PWs) bands (ev): -4.4499 -4.4499 -4.3601 -4.3601 1.8679 1.8679 2.3768 2.3768 4.0942 4.0942 4.1664 4.1664 4.4754 4.4754 4.6650 4.6650 4.7079 4.7079 5.1496 5.1496 5.3174 5.3174 5.4188 5.4188 5.5239 5.5239 5.8554 5.8554 5.9803 5.9803 6.5029 6.5029 9.9743 9.9743 10.3404 10.3404 10.7594 10.7594 10.8691 10.8691 15.0462 15.0462 k = 0.0000 0.2372 0.2268 ( 3182 PWs) bands (ev): -4.4711 -4.4711 -4.3755 -4.3755 1.8984 1.8984 2.4375 2.4375 4.0637 4.0637 4.1716 4.1716 4.4793 4.4793 4.6677 4.6677 4.7233 4.7233 5.1665 5.1665 5.3224 5.3224 5.4121 5.4121 5.5201 5.5201 5.8652 5.8652 5.9757 5.9757 6.5287 6.5287 10.0419 10.0419 10.4097 10.4097 10.7668 10.7668 10.8614 10.8614 14.7901 14.7901 k = 0.0000 0.2274 0.2268 ( 3190 PWs) bands (ev): -4.4925 -4.4925 -4.3913 -4.3913 1.9299 1.9299 2.4970 2.4970 4.0322 4.0322 4.1818 4.1818 4.4856 4.4856 4.6642 4.6642 4.7466 4.7466 5.1822 5.1822 5.3232 5.3232 5.4095 5.4095 5.5142 5.5142 5.8741 5.8741 5.9737 5.9737 6.5559 6.5559 10.1069 10.1069 10.4759 10.4759 10.7849 10.7849 10.8560 10.8560 14.5331 14.5331 k = 0.0000 0.2175 0.2268 ( 3186 PWs) bands (ev): -4.5141 -4.5141 -4.4074 -4.4074 1.9620 1.9620 2.5545 2.5545 4.0009 4.0009 4.1963 4.1963 4.4945 4.4945 4.6591 4.6591 4.7729 4.7729 5.1965 5.1965 5.3204 5.3204 5.4103 5.4103 5.5075 5.5075 5.8820 5.8820 5.9743 5.9743 6.5849 6.5849 10.1644 10.1644 10.5402 10.5402 10.8076 10.8076 10.8617 10.8617 14.2771 14.2771 k = 0.0000 0.2076 0.2268 ( 3186 PWs) bands (ev): -4.5357 -4.5357 -4.4236 -4.4236 1.9946 1.9946 2.6091 2.6091 3.9703 3.9703 4.2148 4.2148 4.5066 4.5066 4.6539 4.6539 4.8005 4.8005 5.2085 5.2085 5.3158 5.3158 5.4116 5.4116 5.5017 5.5017 5.8890 5.8890 5.9771 5.9771 6.6157 6.6157 10.2093 10.2093 10.6074 10.6074 10.8140 10.8140 10.8992 10.8992 14.0233 14.0233 k = 0.0000 0.1977 0.2268 ( 3182 PWs) bands (ev): -4.5571 -4.5571 -4.4399 -4.4399 2.0271 2.0271 2.6603 2.6603 3.9408 3.9408 4.2367 4.2367 4.5226 4.5226 4.6492 4.6492 4.8287 4.8287 5.2171 5.2171 5.3121 5.3121 5.4104 5.4104 5.4989 5.4989 5.8951 5.8951 5.9819 5.9819 6.6484 6.6484 10.2387 10.2387 10.6828 10.6828 10.8086 10.8086 10.9610 10.9610 13.7727 13.7727 k = 0.0000 0.1878 0.2268 ( 3190 PWs) bands (ev): -4.5783 -4.5783 -4.4561 -4.4561 2.0592 2.0592 2.7074 2.7074 3.9127 3.9127 4.2613 4.2613 4.5431 4.5431 4.6450 4.6450 4.8572 4.8572 5.2210 5.2210 5.3114 5.3114 5.4046 5.4046 5.5007 5.5007 5.9005 5.9005 5.9881 5.9881 6.6834 6.6834 10.2531 10.2531 10.7685 10.7685 10.8004 10.8004 11.0344 11.0344 13.5261 13.5261 k = 0.0000 0.1779 0.2268 ( 3198 PWs) bands (ev): -4.5991 -4.5991 -4.4722 -4.4722 2.0906 2.0906 2.7500 2.7500 3.8862 3.8862 4.2872 4.2872 4.5686 4.5686 4.6421 4.6421 4.8858 4.8858 5.2197 5.2197 5.3146 5.3146 5.3949 5.3949 5.5068 5.5068 5.9051 5.9051 5.9954 5.9954 6.7206 6.7206 10.2557 10.2557 10.7907 10.7907 10.8640 10.8640 11.1144 11.1144 13.2844 13.2844 k = 0.0000 0.1680 0.2268 ( 3202 PWs) bands (ev): -4.6195 -4.6195 -4.4880 -4.4880 2.1211 2.1211 2.7879 2.7879 3.8614 3.8614 4.3134 4.3134 4.5978 4.5978 4.6422 4.6422 4.9144 4.9144 5.2144 5.2144 5.3207 5.3207 5.3833 5.3833 5.5159 5.5159 5.9091 5.9091 6.0036 6.0036 6.7601 6.7601 10.2501 10.2501 10.7813 10.7813 10.9653 10.9653 11.1983 11.1983 13.0486 13.0486 k = 0.0000 0.1582 0.2268 ( 3216 PWs) bands (ev): -4.6392 -4.6392 -4.5034 -4.5034 2.1504 2.1504 2.8210 2.8210 3.8384 3.8384 4.3387 4.3387 4.6197 4.6197 4.6560 4.6560 4.9431 4.9431 5.2065 5.2065 5.3273 5.3273 5.3727 5.3727 5.5265 5.5265 5.9126 5.9126 6.0123 6.0123 6.8022 6.8022 10.2391 10.2391 10.7719 10.7719 11.0692 11.0692 11.2849 11.2849 12.8201 12.8201 k = 0.0000 0.1483 0.2268 ( 3218 PWs) bands (ev): -4.6583 -4.6583 -4.5183 -4.5183 2.1782 2.1782 2.8494 2.8494 3.8174 3.8174 4.3625 4.3625 4.6242 4.6242 4.6926 4.6926 4.9724 4.9724 5.1973 5.1973 5.3306 5.3306 5.3675 5.3675 5.5378 5.5378 5.9157 5.9157 6.0213 6.0213 6.8466 6.8466 10.2247 10.2247 10.7626 10.7626 11.1710 11.1710 11.3734 11.3734 12.6009 12.6009 k = 0.0000 0.1384 0.2268 ( 3218 PWs) bands (ev): -4.6765 -4.6765 -4.5326 -4.5326 2.2044 2.2044 2.8735 2.8735 3.7983 3.7983 4.3845 4.3845 4.6239 4.6239 4.7363 4.7363 5.0032 5.0032 5.1875 5.1875 5.3287 5.3287 5.3705 5.3705 5.5495 5.5495 5.9183 5.9183 6.0305 6.0305 6.8934 6.8934 10.2083 10.2083 10.7537 10.7537 11.2648 11.2648 11.4631 11.4631 12.3946 12.3946 k = 0.0000 0.1285 0.2268 ( 3210 PWs) bands (ev): -4.6939 -4.6939 -4.5463 -4.5463 2.2287 2.2287 2.8935 2.8935 3.7811 3.7811 4.4049 4.4049 4.6231 4.6231 4.7790 4.7790 5.0370 5.0370 5.1775 5.1775 5.3260 5.3260 5.3788 5.3788 5.5610 5.5610 5.9205 5.9205 6.0398 6.0398 6.9424 6.9424 10.1908 10.1908 10.7453 10.7453 11.3436 11.3436 11.5492 11.5492 12.2099 12.2099 k = 0.0000 0.1186 0.2268 ( 3210 PWs) bands (ev): -4.7103 -4.7103 -4.5593 -4.5593 2.2512 2.2512 2.9100 2.9100 3.7657 3.7657 4.4239 4.4239 4.6223 4.6223 4.8157 4.8157 5.0746 5.0746 5.1675 5.1675 5.3277 5.3277 5.3889 5.3889 5.5723 5.5723 5.9223 5.9223 6.0489 6.0489 6.9933 6.9933 10.1730 10.1730 10.7373 10.7373 11.3981 11.3981 11.6130 11.6130 12.0703 12.0703 k = 0.0000 0.1087 0.2268 ( 3218 PWs) bands (ev): -4.7257 -4.7257 -4.5715 -4.5715 2.2717 2.2717 2.9233 2.9233 3.7523 3.7523 4.4420 4.4420 4.6215 4.6215 4.8430 4.8430 5.1142 5.1142 5.1579 5.1579 5.3379 5.3379 5.3995 5.3995 5.5832 5.5832 5.9236 5.9236 6.0577 6.0577 7.0456 7.0456 10.1554 10.1554 10.7299 10.7299 11.4111 11.4111 11.6168 11.6168 12.0243 12.0243 k = 0.0000 0.0988 0.2268 ( 3218 PWs) bands (ev): -4.7399 -4.7399 -4.5829 -4.5829 2.2902 2.2902 2.9340 2.9340 3.7405 3.7405 4.4593 4.4593 4.6211 4.6211 4.8600 4.8600 5.1412 5.1412 5.1588 5.1588 5.3603 5.3603 5.4108 5.4108 5.5939 5.5939 5.9246 5.9246 6.0661 6.0661 7.0989 7.0989 10.1385 10.1385 10.7232 10.7232 11.3544 11.3544 11.5774 11.5774 12.0749 12.0749 k = 0.0000 0.0890 0.2268 ( 3214 PWs) bands (ev): -4.7530 -4.7530 -4.5933 -4.5933 2.3067 2.3067 2.9424 2.9424 3.7304 3.7304 4.4760 4.4760 4.6210 4.6210 4.8682 4.8682 5.1342 5.1342 5.1869 5.1869 5.3939 5.3939 5.4254 5.4254 5.6048 5.6048 5.9251 5.9251 6.0740 6.0740 7.1523 7.1523 10.1225 10.1225 10.7171 10.7171 11.2372 11.2372 11.5348 11.5348 12.1598 12.1598 k = 0.0000 0.0791 0.2268 ( 3208 PWs) bands (ev): -4.7649 -4.7649 -4.6028 -4.6028 2.3212 2.3212 2.9490 2.9490 3.7219 3.7219 4.4922 4.4922 4.6210 4.6210 4.8695 4.8695 5.1244 5.1244 5.2096 5.2096 5.4192 5.4192 5.4595 5.4595 5.6162 5.6162 5.9252 5.9252 6.0814 6.0814 7.2052 7.2052 10.1078 10.1078 10.7118 10.7118 11.0999 11.0999 11.4791 11.4791 12.2208 12.2208 k = 0.0000 0.0692 0.2268 ( 3212 PWs) bands (ev): -4.7755 -4.7755 -4.6112 -4.6112 2.3337 2.3337 2.9540 2.9540 3.7147 3.7147 4.5078 4.5078 4.6211 4.6211 4.8659 4.8659 5.1150 5.1150 5.2260 5.2260 5.4308 5.4308 5.5106 5.5106 5.6304 5.6304 5.9246 5.9246 6.0880 6.0880 7.2563 7.2563 10.0947 10.0947 10.7070 10.7070 10.9636 10.9636 11.4082 11.4082 12.2417 12.2417 k = 0.0000 0.0593 0.2268 ( 3210 PWs) bands (ev): -4.7847 -4.7847 -4.6186 -4.6186 2.3444 2.3444 2.9578 2.9578 3.7088 3.7088 4.5226 4.5226 4.6214 4.6214 4.8592 4.8592 5.1064 5.1064 5.2383 5.2383 5.4391 5.4391 5.5577 5.5577 5.6523 5.6523 5.9234 5.9234 6.0940 6.0940 7.3046 7.3046 10.0834 10.0834 10.7019 10.7019 10.8376 10.8376 11.3293 11.3293 12.2582 12.2582 k = 0.0000 0.0494 0.2268 ( 3206 PWs) bands (ev): -4.7926 -4.7926 -4.6250 -4.6250 2.3532 2.3532 2.9606 2.9606 3.7041 3.7041 4.5365 4.5365 4.6217 4.6217 4.8507 4.8507 5.0988 5.0988 5.2478 5.2478 5.4458 5.4458 5.5887 5.5887 5.6880 5.6880 5.9212 5.9212 6.0991 6.0991 7.3488 7.3488 10.0741 10.0741 10.6864 10.6864 10.7364 10.7364 11.2507 11.2507 12.2776 12.2776 k = 0.0000 0.0395 0.2268 ( 3210 PWs) bands (ev): -4.7991 -4.7991 -4.6302 -4.6302 2.3604 2.3604 2.9626 2.9626 3.7003 3.7003 4.5491 4.5491 4.6220 4.6220 4.8416 4.8416 5.0924 5.0924 5.2553 5.2553 5.4513 5.4513 5.6047 5.6047 5.7328 5.7328 5.9178 5.9178 6.1033 6.1033 7.3874 7.3874 10.0670 10.0670 10.6135 10.6135 10.7100 10.7100 11.1787 11.1787 12.2977 12.2977 k = 0.0000 0.0297 0.2268 ( 3208 PWs) bands (ev): -4.8042 -4.8042 -4.6343 -4.6343 2.3658 2.3658 2.9640 2.9640 3.6975 3.6975 4.5598 4.5598 4.6222 4.6222 4.8331 4.8331 5.0873 5.0873 5.2609 5.2609 5.4556 5.4556 5.6134 5.6134 5.7771 5.7771 5.9125 5.9125 6.1065 6.1065 7.4192 7.4192 10.0620 10.0620 10.5366 10.5366 10.7072 10.7072 11.1180 11.1180 12.3157 12.3157 k = 0.0000 0.0198 0.2268 ( 3204 PWs) bands (ev): -4.8078 -4.8078 -4.6372 -4.6372 2.3697 2.3697 2.9650 2.9650 3.6956 3.6956 4.5682 4.5682 4.6224 4.6224 4.8261 4.8261 5.0836 5.0836 5.2649 5.2649 5.4587 5.4587 5.6184 5.6184 5.8154 5.8154 5.9049 5.9049 6.1088 6.1088 7.4429 7.4429 10.0590 10.0590 10.4785 10.4785 10.7071 10.7071 11.0720 11.0720 12.3297 12.3297 k = 0.0000 0.0099 0.2268 ( 3188 PWs) bands (ev): -4.8100 -4.8100 -4.6390 -4.6390 2.3720 2.3720 2.9655 2.9655 3.6946 3.6946 4.5736 4.5736 4.6225 4.6225 4.8215 4.8215 5.0815 5.0815 5.2673 5.2673 5.4606 5.4606 5.6212 5.6212 5.8453 5.8453 5.8944 5.8944 6.1103 6.1103 7.4576 7.4576 10.0575 10.0575 10.4424 10.4424 10.7076 10.7076 11.0431 11.0431 12.3386 12.3386 k = 0.0000 0.0000 0.2268 ( 3192 PWs) bands (ev): -4.8108 -4.8108 -4.6396 -4.6396 2.3728 2.3728 2.9657 2.9657 3.6942 3.6942 4.5753 4.5753 4.6226 4.6226 4.8199 4.8199 5.0808 5.0808 5.2681 5.2681 5.4612 5.4612 5.6220 5.6220 5.8602 5.8602 5.8861 5.8861 6.1108 6.1108 7.4626 7.4626 10.0571 10.0571 10.4302 10.4302 10.7079 10.7079 11.0333 11.0333 12.3416 12.3416 k = 0.0000 0.3855-0.0000 ( 3180 PWs) bands (ev): -4.2698 -4.2698 -4.2698 -4.2698 2.2686 2.2686 2.2686 2.2686 3.4716 3.4716 3.4716 3.4716 4.6628 4.6628 4.6628 4.6628 4.8716 4.8716 4.8716 4.8716 5.1901 5.1901 5.1901 5.1901 5.6472 5.6472 5.6472 5.6472 5.7962 5.7962 5.7962 5.7962 10.8071 10.8071 10.8071 10.8071 12.1958 12.1958 12.1958 12.1958 14.1087 14.1087 k = 0.0000 0.3855 0.0099 ( 3180 PWs) bands (ev): -4.2698 -4.2698 -4.2698 -4.2698 2.2646 2.2646 2.2646 2.2646 3.4767 3.4767 3.4767 3.4767 4.6624 4.6624 4.6624 4.6624 4.8717 4.8717 4.8717 4.8717 5.1906 5.1906 5.1906 5.1906 5.6473 5.6473 5.6473 5.6473 5.7971 5.7971 5.7971 5.7971 10.8066 10.8066 10.8066 10.8066 12.1722 12.1722 12.1722 12.1722 14.1356 14.1356 k = 0.0000 0.3855 0.0197 ( 3186 PWs) bands (ev): -4.2696 -4.2696 -4.2696 -4.2696 2.2529 2.2529 2.2529 2.2529 3.4919 3.4919 3.4919 3.4919 4.6613 4.6613 4.6613 4.6613 4.8720 4.8720 4.8720 4.8720 5.1923 5.1923 5.1923 5.1923 5.6474 5.6474 5.6474 5.6474 5.8000 5.8000 5.8000 5.8000 10.8051 10.8051 10.8051 10.8051 12.1054 12.1054 12.1054 12.1054 14.2127 14.2127 k = 0.0000 0.3855 0.0296 ( 3180 PWs) bands (ev): -4.2693 -4.2693 -4.2693 -4.2693 2.2343 2.2343 2.2343 2.2343 3.5163 3.5163 3.5163 3.5163 4.6595 4.6595 4.6595 4.6595 4.8725 4.8725 4.8725 4.8725 5.1951 5.1951 5.1951 5.1951 5.6476 5.6476 5.6476 5.6476 5.8048 5.8048 5.8048 5.8048 10.8025 10.8025 10.8025 10.8025 12.0046 12.0046 12.0046 12.0046 14.3307 14.3307 k = 0.0000 0.3855 0.0394 ( 3176 PWs) bands (ev): -4.2689 -4.2689 -4.2689 -4.2689 2.2097 2.2097 2.2097 2.2097 3.5488 3.5488 3.5488 3.5488 4.6571 4.6571 4.6571 4.6571 4.8731 4.8731 4.8731 4.8731 5.1989 5.1989 5.1989 5.1989 5.6479 5.6479 5.6479 5.6479 5.8118 5.8118 5.8118 5.8118 10.7983 10.7983 10.7983 10.7983 11.8804 11.8804 11.8804 11.8804 14.4795 14.4795 k = 0.0000 0.3855 0.0493 ( 3174 PWs) bands (ev): -4.2683 -4.2683 -4.2683 -4.2683 2.1805 2.1805 2.1805 2.1805 3.5879 3.5879 3.5879 3.5879 4.6540 4.6540 4.6540 4.6540 4.8739 4.8739 4.8739 4.8739 5.2037 5.2037 5.2037 5.2037 5.6482 5.6482 5.6482 5.6482 5.8209 5.8209 5.8209 5.8209 10.7919 10.7919 10.7919 10.7919 11.7420 11.7420 11.7420 11.7420 14.6504 14.6504 k = 0.0000 0.3855 0.0592 ( 3180 PWs) bands (ev): -4.2677 -4.2677 -4.2677 -4.2677 2.1479 2.1479 2.1479 2.1479 3.6322 3.6322 3.6322 3.6322 4.6501 4.6501 4.6501 4.6501 4.8747 4.8747 4.8747 4.8747 5.2094 5.2094 5.2094 5.2094 5.6485 5.6485 5.6485 5.6485 5.8322 5.8322 5.8322 5.8322 10.7822 10.7822 10.7822 10.7822 11.5969 11.5969 11.5969 11.5969 14.8371 14.8371 k = 0.0000 0.3855 0.0690 ( 3184 PWs) bands (ev): -4.2670 -4.2670 -4.2670 -4.2670 2.1129 2.1129 2.1129 2.1129 3.6803 3.6803 3.6803 3.6803 4.6457 4.6457 4.6457 4.6457 4.8757 4.8757 4.8757 4.8757 5.2160 5.2160 5.2160 5.2160 5.6488 5.6488 5.6488 5.6488 5.8460 5.8460 5.8460 5.8460 10.7672 10.7672 10.7672 10.7672 11.4517 11.4517 11.4517 11.4517 15.0348 15.0348 k = 0.0000 0.3855 0.0789 ( 3182 PWs) bands (ev): -4.2662 -4.2662 -4.2662 -4.2662 2.0767 2.0767 2.0767 2.0767 3.7310 3.7310 3.7310 3.7310 4.6407 4.6407 4.6407 4.6407 4.8767 4.8767 4.8767 4.8767 5.2232 5.2232 5.2232 5.2232 5.6492 5.6492 5.6492 5.6492 5.8623 5.8623 5.8623 5.8623 10.7432 10.7432 10.7432 10.7432 11.3134 11.3134 11.3134 11.3134 15.2402 15.2402 k = 0.0000 0.3855 0.0887 ( 3194 PWs) bands (ev): -4.2654 -4.2654 -4.2654 -4.2654 2.0400 2.0400 2.0400 2.0400 3.7831 3.7831 3.7831 3.7831 4.6350 4.6350 4.6350 4.6350 4.8776 4.8776 4.8776 4.8776 5.2309 5.2309 5.2309 5.2309 5.6496 5.6496 5.6496 5.6496 5.8811 5.8811 5.8811 5.8811 10.7042 10.7042 10.7042 10.7042 11.1904 11.1904 11.1904 11.1904 15.4503 15.4503 k = 0.0000 0.3855 0.0986 ( 3198 PWs) bands (ev): -4.2645 -4.2645 -4.2645 -4.2645 2.0037 2.0037 2.0037 2.0037 3.8356 3.8356 3.8356 3.8356 4.6286 4.6286 4.6286 4.6286 4.8786 4.8786 4.8786 4.8786 5.2390 5.2390 5.2390 5.2390 5.6499 5.6499 5.6499 5.6499 5.9027 5.9027 5.9027 5.9027 10.6425 10.6425 10.6425 10.6425 11.0923 11.0923 11.0923 11.0923 15.6630 15.6630 k = 0.0000 0.3855 0.1085 ( 3196 PWs) bands (ev): -4.2636 -4.2636 -4.2636 -4.2636 1.9683 1.9683 1.9683 1.9683 3.8877 3.8877 3.8877 3.8877 4.6218 4.6218 4.6218 4.6218 4.8797 4.8797 4.8797 4.8797 5.2474 5.2474 5.2474 5.2474 5.6503 5.6503 5.6503 5.6503 5.9269 5.9269 5.9269 5.9269 10.5548 10.5548 10.5548 10.5548 11.0241 11.0241 11.0241 11.0241 15.8750 15.8750 k = 0.0000 0.3855 0.1183 ( 3196 PWs) bands (ev): -4.2627 -4.2627 -4.2627 -4.2627 1.9343 1.9343 1.9343 1.9343 3.9384 3.9384 3.9384 3.9384 4.6144 4.6144 4.6144 4.6144 4.8806 4.8806 4.8806 4.8806 5.2557 5.2557 5.2557 5.2557 5.6506 5.6506 5.6506 5.6506 5.9534 5.9534 5.9534 5.9534 10.4470 10.4470 10.4470 10.4470 10.9813 10.9813 10.9813 10.9813 16.0784 16.0784 k = 0.0000 0.3855 0.1282 ( 3200 PWs) bands (ev): -4.2617 -4.2617 -4.2617 -4.2617 1.9022 1.9022 1.9022 1.9022 3.9872 3.9872 3.9872 3.9872 4.6066 4.6066 4.6066 4.6066 4.8816 4.8816 4.8816 4.8816 5.2639 5.2639 5.2639 5.2639 5.6509 5.6509 5.6509 5.6509 5.9822 5.9822 5.9822 5.9822 10.3289 10.3289 10.3289 10.3289 10.9552 10.9552 10.9552 10.9552 16.2186 16.2186 k = 0.0000 0.3855 0.1380 ( 3196 PWs) bands (ev): -4.2609 -4.2609 -4.2609 -4.2609 1.8722 1.8722 1.8722 1.8722 4.0336 4.0336 4.0336 4.0336 4.5983 4.5983 4.5983 4.5983 4.8824 4.8824 4.8824 4.8824 5.2717 5.2717 5.2717 5.2717 5.6512 5.6512 5.6512 5.6512 6.0127 6.0127 6.0127 6.0127 10.2087 10.2087 10.2087 10.2087 10.9389 10.9389 10.9389 10.9389 16.2498 16.2498 k = 0.0000 0.3855 0.1479 ( 3200 PWs) bands (ev): -4.2600 -4.2600 -4.2600 -4.2600 1.8448 1.8448 1.8448 1.8448 4.0769 4.0769 4.0769 4.0769 4.5896 4.5896 4.5896 4.5896 4.8832 4.8832 4.8832 4.8832 5.2791 5.2791 5.2791 5.2791 5.6514 5.6514 5.6514 5.6514 6.0442 6.0442 6.0442 6.0442 10.0919 10.0919 10.0919 10.0919 10.9284 10.9284 10.9284 10.9284 16.2589 16.2589 k = 0.0000 0.3855 0.1578 ( 3206 PWs) bands (ev): -4.2592 -4.2592 -4.2592 -4.2592 1.8201 1.8201 1.8201 1.8201 4.1169 4.1169 4.1169 4.1169 4.5806 4.5806 4.5806 4.5806 4.8839 4.8839 4.8839 4.8839 5.2857 5.2857 5.2857 5.2857 5.6516 5.6516 5.6516 5.6516 6.0760 6.0760 6.0760 6.0760 9.9819 9.9819 9.9819 9.9819 10.9213 10.9213 10.9213 10.9213 16.2640 16.2640 k = 0.0000 0.3855 0.1676 ( 3202 PWs) bands (ev): -4.2585 -4.2585 -4.2585 -4.2585 1.7984 1.7984 1.7984 1.7984 4.1531 4.1531 4.1531 4.1531 4.5716 4.5716 4.5716 4.5716 4.8845 4.8845 4.8845 4.8845 5.2917 5.2917 5.2917 5.2917 5.6518 5.6518 5.6518 5.6518 6.1071 6.1071 6.1071 6.1071 9.8813 9.8813 9.8813 9.8813 10.9165 10.9165 10.9165 10.9165 16.2678 16.2678 k = 0.0000 0.3855 0.1775 ( 3202 PWs) bands (ev): -4.2579 -4.2579 -4.2579 -4.2579 1.7797 1.7797 1.7797 1.7797 4.1851 4.1851 4.1851 4.1851 4.5627 4.5627 4.5627 4.5627 4.8850 4.8850 4.8850 4.8850 5.2968 5.2968 5.2968 5.2968 5.6520 5.6520 5.6520 5.6520 6.1363 6.1363 6.1363 6.1363 9.7924 9.7924 9.7924 9.7924 10.9132 10.9132 10.9132 10.9132 16.2707 16.2707 k = 0.0000 0.3855 0.1873 ( 3198 PWs) bands (ev): -4.2573 -4.2573 -4.2573 -4.2573 1.7643 1.7643 1.7643 1.7643 4.2126 4.2126 4.2126 4.2126 4.5542 4.5542 4.5542 4.5542 4.8855 4.8855 4.8855 4.8855 5.3011 5.3011 5.3011 5.3011 5.6521 5.6521 5.6521 5.6521 6.1625 6.1625 6.1625 6.1625 9.7168 9.7168 9.7168 9.7168 10.9109 10.9109 10.9109 10.9109 16.2730 16.2730 k = 0.0000 0.3855 0.1972 ( 3198 PWs) bands (ev): -4.2569 -4.2569 -4.2569 -4.2569 1.7522 1.7522 1.7522 1.7522 4.2349 4.2349 4.2349 4.2349 4.5467 4.5467 4.5467 4.5467 4.8858 4.8858 4.8858 4.8858 5.3045 5.3045 5.3045 5.3045 5.6522 5.6522 5.6522 5.6522 6.1844 6.1844 6.1844 6.1844 9.6562 9.6562 9.6562 9.6562 10.9093 10.9093 10.9093 10.9093 16.2747 16.2747 k = 0.0000 0.3855 0.2071 ( 3194 PWs) bands (ev): -4.2566 -4.2566 -4.2566 -4.2566 1.7435 1.7435 1.7435 1.7435 4.2515 4.2515 4.2515 4.2515 4.5407 4.5407 4.5407 4.5407 4.8860 4.8860 4.8860 4.8860 5.3069 5.3069 5.3069 5.3069 5.6523 5.6523 5.6523 5.6523 6.2010 6.2010 6.2010 6.2010 9.6118 9.6118 9.6118 9.6118 10.9083 10.9083 10.9083 10.9083 16.2760 16.2760 k = 0.0000 0.3855 0.2169 ( 3196 PWs) bands (ev): -4.2564 -4.2564 -4.2564 -4.2564 1.7382 1.7382 1.7382 1.7382 4.2618 4.2618 4.2618 4.2618 4.5367 4.5367 4.5367 4.5367 4.8861 4.8861 4.8861 4.8861 5.3083 5.3083 5.3083 5.3083 5.6523 5.6523 5.6523 5.6523 6.2113 6.2113 6.2113 6.2113 9.5848 9.5848 9.5848 9.5848 10.9077 10.9077 10.9077 10.9077 16.2767 16.2767 k = 0.0000 0.3855 0.2268 ( 3196 PWs) bands (ev): -4.2563 -4.2563 -4.2563 -4.2563 1.7365 1.7365 1.7365 1.7365 4.2653 4.2653 4.2653 4.2653 4.5354 4.5354 4.5354 4.5354 4.8862 4.8862 4.8862 4.8862 5.3088 5.3088 5.3088 5.3088 5.6523 5.6523 5.6523 5.6523 6.2148 6.2148 6.2148 6.2148 9.5757 9.5757 9.5757 9.5757 10.9076 10.9076 10.9076 10.9076 16.2770 16.2770 k = 0.5000-0.0000 0.2268 ( 3176 PWs) bands (ev): -2.7284 -2.7284 -2.7284 -2.7284 2.0242 2.0242 2.0242 2.0242 3.8424 3.8424 3.8424 3.8424 4.4280 4.4280 4.4280 4.4280 4.8795 4.8795 4.8795 4.8795 5.4623 5.4623 5.4623 5.4623 5.7468 5.7468 5.7468 5.7468 7.2807 7.2807 7.2807 7.2807 8.4134 8.4134 8.4134 8.4134 9.5041 9.5041 9.5041 9.5041 13.2888 13.2888 k = 0.5000-0.0000 0.2169 ( 3176 PWs) bands (ev): -2.7284 -2.7284 -2.7284 -2.7284 2.0251 2.0251 2.0251 2.0251 3.8420 3.8420 3.8420 3.8420 4.4281 4.4281 4.4281 4.4281 4.8794 4.8794 4.8794 4.8794 5.4622 5.4622 5.4622 5.4622 5.7465 5.7465 5.7465 5.7465 7.2758 7.2758 7.2758 7.2758 8.4130 8.4130 8.4130 8.4130 9.5124 9.5124 9.5124 9.5124 13.2875 13.2875 k = 0.5000-0.0000 0.2071 ( 3164 PWs) bands (ev): -2.7286 -2.7286 -2.7286 -2.7286 2.0278 2.0278 2.0278 2.0278 3.8409 3.8409 3.8409 3.8409 4.4282 4.4282 4.4282 4.4282 4.8794 4.8794 4.8794 4.8794 5.4621 5.4621 5.4621 5.4621 5.7457 5.7457 5.7457 5.7457 7.2613 7.2613 7.2613 7.2613 8.4120 8.4120 8.4120 8.4120 9.5369 9.5369 9.5369 9.5369 13.2838 13.2838 k = 0.5000-0.0000 0.1972 ( 3164 PWs) bands (ev): -2.7290 -2.7290 -2.7290 -2.7290 2.0322 2.0322 2.0322 2.0322 3.8390 3.8390 3.8390 3.8390 4.4282 4.4282 4.4282 4.4282 4.8793 4.8793 4.8793 4.8793 5.4617 5.4617 5.4617 5.4617 5.7442 5.7442 5.7442 5.7442 7.2380 7.2380 7.2380 7.2380 8.4104 8.4104 8.4104 8.4104 9.5767 9.5767 9.5767 9.5767 13.2776 13.2776 k = 0.5000-0.0000 0.1873 ( 3168 PWs) bands (ev): -2.7294 -2.7294 -2.7294 -2.7294 2.0383 2.0383 2.0383 2.0383 3.8363 3.8363 3.8363 3.8363 4.4283 4.4283 4.4283 4.4283 4.8791 4.8791 4.8791 4.8791 5.4612 5.4612 5.4612 5.4612 5.7422 5.7422 5.7422 5.7422 7.2071 7.2071 7.2071 7.2071 8.4084 8.4084 8.4084 8.4084 9.6305 9.6305 9.6305 9.6305 13.2692 13.2692 k = 0.5000-0.0000 0.1775 ( 3176 PWs) bands (ev): -2.7300 -2.7300 -2.7300 -2.7300 2.0460 2.0460 2.0460 2.0460 3.8329 3.8329 3.8329 3.8329 4.4284 4.4284 4.4284 4.4284 4.8788 4.8788 4.8788 4.8788 5.4604 5.4604 5.4604 5.4604 5.7397 5.7397 5.7397 5.7397 7.1699 7.1699 7.1699 7.1699 8.4062 8.4062 8.4062 8.4062 9.6966 9.6966 9.6966 9.6966 13.2589 13.2589 k = 0.5000-0.0000 0.1676 ( 3176 PWs) bands (ev): -2.7307 -2.7307 -2.7307 -2.7307 2.0552 2.0552 2.0552 2.0552 3.8289 3.8289 3.8289 3.8289 4.4285 4.4285 4.4285 4.4285 4.8786 4.8786 4.8786 4.8786 5.4595 5.4595 5.4595 5.4595 5.7366 5.7366 5.7366 5.7366 7.1279 7.1279 7.1279 7.1279 8.4038 8.4038 8.4038 8.4038 9.7733 9.7733 9.7733 9.7733 13.2469 13.2469 k = 0.5000-0.0000 0.1578 ( 3174 PWs) bands (ev): -2.7314 -2.7314 -2.7314 -2.7314 2.0658 2.0658 2.0658 2.0658 3.8241 3.8241 3.8241 3.8241 4.4287 4.4287 4.4287 4.4287 4.8783 4.8783 4.8783 4.8783 5.4585 5.4585 5.4585 5.4585 5.7330 5.7330 5.7330 5.7330 7.0826 7.0826 7.0826 7.0826 8.4015 8.4015 8.4015 8.4015 9.8588 9.8588 9.8588 9.8588 13.2336 13.2336 k = 0.5000-0.0000 0.1479 ( 3182 PWs) bands (ev): -2.7323 -2.7323 -2.7323 -2.7323 2.0776 2.0776 2.0776 2.0776 3.8187 3.8187 3.8187 3.8187 4.4289 4.4289 4.4289 4.4289 4.8780 4.8780 4.8780 4.8780 5.4572 5.4572 5.4572 5.4572 5.7289 5.7289 5.7289 5.7289 7.0353 7.0353 7.0353 7.0353 8.3992 8.3992 8.3992 8.3992 9.9517 9.9517 9.9517 9.9517 13.2193 13.2193 k = 0.5000-0.0000 0.1380 ( 3186 PWs) bands (ev): -2.7332 -2.7332 -2.7332 -2.7332 2.0904 2.0904 2.0904 2.0904 3.8128 3.8128 3.8128 3.8128 4.4290 4.4290 4.4290 4.4290 4.8776 4.8776 4.8776 4.8776 5.4559 5.4559 5.4559 5.4559 5.7243 5.7243 5.7243 5.7243 6.9873 6.9873 6.9873 6.9873 8.3969 8.3969 8.3969 8.3969 10.0502 10.0502 10.0502 10.0502 13.2043 13.2043 k = 0.5000-0.0000 0.1282 ( 3190 PWs) bands (ev): -2.7341 -2.7341 -2.7341 -2.7341 2.1041 2.1041 2.1041 2.1041 3.8064 3.8064 3.8064 3.8064 4.4292 4.4292 4.4292 4.4292 4.8772 4.8772 4.8772 4.8772 5.4543 5.4543 5.4543 5.4543 5.7194 5.7194 5.7194 5.7194 6.9397 6.9397 6.9397 6.9397 8.3948 8.3948 8.3948 8.3948 10.1530 10.1530 10.1530 10.1530 13.1889 13.1889 k = 0.5000-0.0000 0.1183 ( 3186 PWs) bands (ev): -2.7351 -2.7351 -2.7351 -2.7351 2.1184 2.1184 2.1184 2.1184 3.7996 3.7996 3.7996 3.7996 4.4294 4.4294 4.4294 4.4294 4.8768 4.8768 4.8768 4.8768 5.4527 5.4527 5.4527 5.4527 5.7142 5.7142 5.7142 5.7142 6.8933 6.8933 6.8933 6.8933 8.3929 8.3929 8.3929 8.3929 10.2586 10.2586 10.2586 10.2586 13.1735 13.1735 k = 0.5000-0.0000 0.1085 ( 3182 PWs) bands (ev): -2.7361 -2.7361 -2.7361 -2.7361 2.1330 2.1330 2.1330 2.1330 3.7925 3.7925 3.7925 3.7925 4.4296 4.4296 4.4296 4.4296 4.8764 4.8764 4.8764 4.8764 5.4509 5.4509 5.4509 5.4509 5.7087 5.7087 5.7087 5.7087 6.8489 6.8489 6.8489 6.8489 8.3910 8.3910 8.3910 8.3910 10.3657 10.3657 10.3657 10.3657 13.1583 13.1583 k = 0.5000-0.0000 0.0986 ( 3174 PWs) bands (ev): -2.7370 -2.7370 -2.7370 -2.7370 2.1478 2.1478 2.1478 2.1478 3.7852 3.7852 3.7852 3.7852 4.4299 4.4299 4.4299 4.4299 4.8761 4.8761 4.8761 4.8761 5.4490 5.4490 5.4490 5.4490 5.7032 5.7032 5.7032 5.7032 6.8072 6.8072 6.8072 6.8072 8.3893 8.3893 8.3893 8.3893 10.4729 10.4729 10.4729 10.4729 13.1436 13.1436 k = 0.5000-0.0000 0.0887 ( 3164 PWs) bands (ev): -2.7380 -2.7380 -2.7380 -2.7380 2.1624 2.1624 2.1624 2.1624 3.7778 3.7778 3.7778 3.7778 4.4301 4.4301 4.4301 4.4301 4.8757 4.8757 4.8757 4.8757 5.4470 5.4470 5.4470 5.4470 5.6976 5.6976 5.6976 5.6976 6.7686 6.7686 6.7686 6.7686 8.3877 8.3877 8.3877 8.3877 10.5787 10.5787 10.5787 10.5787 13.1295 13.1295 k = 0.5000-0.0000 0.0789 ( 3168 PWs) bands (ev): -2.7388 -2.7388 -2.7388 -2.7388 2.1765 2.1765 2.1765 2.1765 3.7706 3.7706 3.7706 3.7706 4.4303 4.4303 4.4303 4.4303 4.8754 4.8754 4.8754 4.8754 5.4449 5.4449 5.4449 5.4449 5.6921 5.6921 5.6921 5.6921 6.7334 6.7334 6.7334 6.7334 8.3863 8.3863 8.3863 8.3863 10.6815 10.6815 10.6815 10.6815 13.1164 13.1164 k = 0.5000-0.0000 0.0690 ( 3172 PWs) bands (ev): -2.7397 -2.7397 -2.7397 -2.7397 2.1899 2.1899 2.1899 2.1899 3.7636 3.7636 3.7636 3.7636 4.4304 4.4304 4.4304 4.4304 4.8750 4.8750 4.8750 4.8750 5.4428 5.4428 5.4428 5.4428 5.6869 5.6869 5.6869 5.6869 6.7020 6.7020 6.7020 6.7020 8.3850 8.3850 8.3850 8.3850 10.7797 10.7797 10.7797 10.7797 13.1044 13.1044 k = 0.5000-0.0000 0.0592 ( 3180 PWs) bands (ev): -2.7404 -2.7404 -2.7404 -2.7404 2.2022 2.2022 2.2022 2.2022 3.7570 3.7570 3.7570 3.7570 4.4306 4.4306 4.4306 4.4306 4.8746 4.8746 4.8746 4.8746 5.4407 5.4407 5.4407 5.4407 5.6820 5.6820 5.6820 5.6820 6.6746 6.6746 6.6746 6.6746 8.3839 8.3839 8.3839 8.3839 10.8713 10.8713 10.8713 10.8713 13.0936 13.0936 k = 0.5000-0.0000 0.0493 ( 3176 PWs) bands (ev): -2.7411 -2.7411 -2.7411 -2.7411 2.2132 2.2132 2.2132 2.2132 3.7511 3.7511 3.7511 3.7511 4.4308 4.4308 4.4308 4.4308 4.8744 4.8744 4.8744 4.8744 5.4388 5.4388 5.4388 5.4388 5.6777 5.6777 5.6777 5.6777 6.6513 6.6513 6.6513 6.6513 8.3829 8.3829 8.3829 8.3829 10.9544 10.9544 10.9544 10.9544 13.0842 13.0842 k = 0.5000-0.0000 0.0394 ( 3170 PWs) bands (ev): -2.7416 -2.7416 -2.7416 -2.7416 2.2226 2.2226 2.2226 2.2226 3.7459 3.7459 3.7459 3.7459 4.4309 4.4309 4.4309 4.4309 4.8741 4.8741 4.8741 4.8741 5.4372 5.4372 5.4372 5.4372 5.6740 5.6740 5.6740 5.6740 6.6322 6.6322 6.6322 6.6322 8.3821 8.3821 8.3821 8.3821 11.0266 11.0266 11.0266 11.0266 13.0763 13.0763 k = 0.5000-0.0000 0.0296 ( 3172 PWs) bands (ev): -2.7421 -2.7421 -2.7421 -2.7421 2.2302 2.2302 2.2302 2.2302 3.7418 3.7418 3.7418 3.7418 4.4310 4.4310 4.4310 4.4310 4.8740 4.8740 4.8740 4.8740 5.4358 5.4358 5.4358 5.4358 5.6710 5.6710 5.6710 5.6710 6.6173 6.6173 6.6173 6.6173 8.3815 8.3815 8.3815 8.3815 11.0859 11.0859 11.0859 11.0859 13.0700 13.0700 k = 0.5000-0.0000 0.0197 ( 3172 PWs) bands (ev): -2.7424 -2.7424 -2.7424 -2.7424 2.2357 2.2357 2.2357 2.2357 3.7387 3.7387 3.7387 3.7387 4.4311 4.4311 4.4311 4.4311 4.8738 4.8738 4.8738 4.8738 5.4347 5.4347 5.4347 5.4347 5.6688 5.6688 5.6688 5.6688 6.6067 6.6067 6.6067 6.6067 8.3811 8.3811 8.3811 8.3811 11.1301 11.1301 11.1301 11.1301 13.0654 13.0654 k = 0.5000-0.0000 0.0099 ( 3172 PWs) bands (ev): -2.7426 -2.7426 -2.7426 -2.7426 2.2391 2.2391 2.2391 2.2391 3.7368 3.7368 3.7368 3.7368 4.4311 4.4311 4.4311 4.4311 4.8737 4.8737 4.8737 4.8737 5.4340 5.4340 5.4340 5.4340 5.6675 5.6675 5.6675 5.6675 6.6003 6.6003 6.6003 6.6003 8.3808 8.3808 8.3808 8.3808 11.1574 11.1574 11.1574 11.1574 13.0627 13.0627 k = 0.5000-0.0000-0.0000 ( 3176 PWs) bands (ev): -2.7427 -2.7427 -2.7427 -2.7427 2.2403 2.2403 2.2403 2.2403 3.7361 3.7361 3.7361 3.7361 4.4312 4.4312 4.4312 4.4312 4.8737 4.8737 4.8737 4.8737 5.4338 5.4338 5.4338 5.4338 5.6670 5.6670 5.6670 5.6670 6.5982 6.5982 6.5982 6.5982 8.3807 8.3807 8.3807 8.3807 11.1666 11.1666 11.1666 11.1666 13.0617 13.0617 k = 0.5000 0.3855-0.0000 ( 3188 PWs) bands (ev): -2.2963 -2.2963 -2.2963 -2.2963 2.1997 2.1997 2.1997 2.1997 4.2353 4.2353 4.2353 4.2353 4.4726 4.4726 4.4726 4.4726 4.9025 4.9025 4.9025 4.9025 5.1260 5.1260 5.1260 5.1260 5.8487 5.8487 5.8487 5.8487 6.1955 6.1955 6.1955 6.1955 6.3672 6.3672 6.3672 6.3672 10.1520 10.1520 10.1520 10.1520 10.3964 10.3964 k = 0.5000 0.3855 0.0099 ( 3188 PWs) bands (ev): -2.2963 -2.2963 -2.2963 -2.2963 2.2003 2.2003 2.2003 2.2003 4.2342 4.2342 4.2342 4.2342 4.4728 4.4728 4.4728 4.4728 4.9018 4.9018 4.9018 4.9018 5.1259 5.1259 5.1259 5.1259 5.8479 5.8479 5.8479 5.8479 6.1965 6.1965 6.1965 6.1965 6.3665 6.3665 6.3665 6.3665 10.1563 10.1563 10.1563 10.1563 10.4002 10.4002 k = 0.5000 0.3855 0.0197 ( 3188 PWs) bands (ev): -2.2963 -2.2963 -2.2963 -2.2963 2.2019 2.2019 2.2019 2.2019 4.2309 4.2309 4.2309 4.2309 4.4734 4.4734 4.4734 4.4734 4.8997 4.8997 4.8997 4.8997 5.1257 5.1257 5.1257 5.1257 5.8455 5.8455 5.8455 5.8455 6.1994 6.1994 6.1994 6.1994 6.3645 6.3645 6.3645 6.3645 10.1690 10.1690 10.1690 10.1690 10.4118 10.4118 k = 0.5000 0.3855 0.0296 ( 3188 PWs) bands (ev): -2.2962 -2.2962 -2.2962 -2.2962 2.2047 2.2047 2.2047 2.2047 4.2253 4.2253 4.2253 4.2253 4.4745 4.4745 4.4745 4.4745 4.8965 4.8965 4.8965 4.8965 5.1254 5.1254 5.1254 5.1254 5.8419 5.8419 5.8419 5.8419 6.2035 6.2035 6.2035 6.2035 6.3617 6.3617 6.3617 6.3617 10.1902 10.1902 10.1902 10.1902 10.4311 10.4311 k = 0.5000 0.3855 0.0394 ( 3192 PWs) bands (ev): -2.2962 -2.2962 -2.2962 -2.2962 2.2086 2.2086 2.2086 2.2086 4.2175 4.2175 4.2175 4.2175 4.4759 4.4759 4.4759 4.4759 4.8920 4.8920 4.8920 4.8920 5.1250 5.1250 5.1250 5.1250 5.8372 5.8372 5.8372 5.8372 6.2078 6.2078 6.2078 6.2078 6.3589 6.3589 6.3589 6.3589 10.2195 10.2195 10.2195 10.2195 10.4579 10.4579 k = 0.5000 0.3855 0.0493 ( 3200 PWs) bands (ev): -2.2962 -2.2962 -2.2962 -2.2962 2.2135 2.2135 2.2135 2.2135 4.2075 4.2075 4.2075 4.2075 4.4779 4.4779 4.4779 4.4779 4.8867 4.8867 4.8867 4.8867 5.1245 5.1245 5.1245 5.1245 5.8317 5.8317 5.8317 5.8317 6.2108 6.2108 6.2108 6.2108 6.3572 6.3572 6.3572 6.3572 10.2566 10.2566 10.2566 10.2566 10.4923 10.4923 k = 0.5000 0.3855 0.0592 ( 3184 PWs) bands (ev): -2.2961 -2.2961 -2.2961 -2.2961 2.2193 2.2193 2.2193 2.2193 4.1954 4.1954 4.1954 4.1954 4.4804 4.4804 4.4804 4.4804 4.8808 4.8808 4.8808 4.8808 5.1241 5.1241 5.1241 5.1241 5.8259 5.8259 5.8259 5.8259 6.2110 6.2110 6.2110 6.2110 6.3578 6.3578 6.3578 6.3578 10.3013 10.3013 10.3013 10.3013 10.5339 10.5339 k = 0.5000 0.3855 0.0690 ( 3176 PWs) bands (ev): -2.2961 -2.2961 -2.2961 -2.2961 2.2261 2.2261 2.2261 2.2261 4.1812 4.1812 4.1812 4.1812 4.4834 4.4834 4.4834 4.4834 4.8744 4.8744 4.8744 4.8744 5.1235 5.1235 5.1235 5.1235 5.8198 5.8198 5.8198 5.8198 6.2074 6.2074 6.2074 6.2074 6.3616 6.3616 6.3616 6.3616 10.3530 10.3530 10.3530 10.3530 10.5826 10.5826 k = 0.5000 0.3855 0.0789 ( 3184 PWs) bands (ev): -2.2961 -2.2961 -2.2961 -2.2961 2.2335 2.2335 2.2335 2.2335 4.1653 4.1653 4.1653 4.1653 4.4869 4.4869 4.4869 4.4869 4.8676 4.8676 4.8676 4.8676 5.1228 5.1228 5.1228 5.1228 5.8138 5.8138 5.8138 5.8138 6.1997 6.1997 6.1997 6.1997 6.3687 6.3687 6.3687 6.3687 10.4112 10.4112 10.4112 10.4112 10.6382 10.6382 k = 0.5000 0.3855 0.0887 ( 3192 PWs) bands (ev): -2.2960 -2.2960 -2.2960 -2.2960 2.2417 2.2417 2.2417 2.2417 4.1477 4.1477 4.1477 4.1477 4.4909 4.4909 4.4909 4.4909 4.8609 4.8609 4.8609 4.8609 5.1220 5.1220 5.1220 5.1220 5.8079 5.8079 5.8079 5.8079 6.1882 6.1882 6.1882 6.1882 6.3787 6.3787 6.3787 6.3787 10.4755 10.4755 10.4755 10.4755 10.7003 10.7003 k = 0.5000 0.3855 0.0986 ( 3184 PWs) bands (ev): -2.2960 -2.2960 -2.2960 -2.2960 2.2505 2.2505 2.2505 2.2505 4.1288 4.1288 4.1288 4.1288 4.4954 4.4954 4.4954 4.4954 4.8543 4.8543 4.8543 4.8543 5.1213 5.1213 5.1213 5.1213 5.8024 5.8024 5.8024 5.8024 6.1741 6.1741 6.1741 6.1741 6.3906 6.3906 6.3906 6.3906 10.5452 10.5452 10.5452 10.5452 10.7686 10.7686 k = 0.5000 0.3855 0.1085 ( 3188 PWs) bands (ev): -2.2959 -2.2959 -2.2959 -2.2959 2.2596 2.2596 2.2596 2.2596 4.1090 4.1090 4.1090 4.1090 4.5003 4.5003 4.5003 4.5003 4.8479 4.8479 4.8479 4.8479 5.1205 5.1205 5.1205 5.1205 5.7972 5.7972 5.7972 5.7972 6.1580 6.1580 6.1580 6.1580 6.4036 6.4036 6.4036 6.4036 10.6196 10.6196 10.6196 10.6196 10.8426 10.8426 k = 0.5000 0.3855 0.1183 ( 3188 PWs) bands (ev): -2.2958 -2.2958 -2.2958 -2.2958 2.2690 2.2690 2.2690 2.2690 4.0886 4.0886 4.0886 4.0886 4.5054 4.5054 4.5054 4.5054 4.8420 4.8420 4.8420 4.8420 5.1197 5.1197 5.1197 5.1197 5.7923 5.7923 5.7923 5.7923 6.1410 6.1410 6.1410 6.1410 6.4170 6.4170 6.4170 6.4170 10.6979 10.6979 10.6979 10.6979 10.9216 10.9216 k = 0.5000 0.3855 0.1282 ( 3180 PWs) bands (ev): -2.2958 -2.2958 -2.2958 -2.2958 2.2785 2.2785 2.2785 2.2785 4.0681 4.0681 4.0681 4.0681 4.5106 4.5106 4.5106 4.5106 4.8365 4.8365 4.8365 4.8365 5.1189 5.1189 5.1189 5.1189 5.7879 5.7879 5.7879 5.7879 6.1235 6.1235 6.1235 6.1235 6.4303 6.4303 6.4303 6.4303 10.7793 10.7793 10.7793 10.7793 11.0051 11.0051 k = 0.5000 0.3855 0.1380 ( 3180 PWs) bands (ev): -2.2957 -2.2957 -2.2957 -2.2957 2.2879 2.2879 2.2879 2.2879 4.0478 4.0478 4.0478 4.0478 4.5159 4.5159 4.5159 4.5159 4.8315 4.8315 4.8315 4.8315 5.1181 5.1181 5.1181 5.1181 5.7838 5.7838 5.7838 5.7838 6.1063 6.1063 6.1063 6.1063 6.4431 6.4431 6.4431 6.4431 10.8628 10.8628 10.8628 10.8628 11.0920 11.0920 k = 0.5000 0.3855 0.1479 ( 3172 PWs) bands (ev): -2.2957 -2.2957 -2.2957 -2.2957 2.2970 2.2970 2.2970 2.2970 4.0282 4.0282 4.0282 4.0282 4.5212 4.5212 4.5212 4.5212 4.8270 4.8270 4.8270 4.8270 5.1173 5.1173 5.1173 5.1173 5.7802 5.7802 5.7802 5.7802 6.0898 6.0898 6.0898 6.0898 6.4550 6.4550 6.4550 6.4550 10.9470 10.9470 10.9470 10.9470 11.1813 11.1813 k = 0.5000 0.3855 0.1578 ( 3172 PWs) bands (ev): -2.2956 -2.2956 -2.2956 -2.2956 2.3057 2.3057 2.3057 2.3057 4.0097 4.0097 4.0097 4.0097 4.5262 4.5262 4.5262 4.5262 4.8231 4.8231 4.8231 4.8231 5.1165 5.1165 5.1165 5.1165 5.7769 5.7769 5.7769 5.7769 6.0743 6.0743 6.0743 6.0743 6.4659 6.4659 6.4659 6.4659 11.0306 11.0306 11.0306 11.0306 11.2715 11.2715 k = 0.5000 0.3855 0.1676 ( 3176 PWs) bands (ev): -2.2956 -2.2956 -2.2956 -2.2956 2.3137 2.3137 2.3137 2.3137 3.9927 3.9927 3.9927 3.9927 4.5309 4.5309 4.5309 4.5309 4.8197 4.8197 4.8197 4.8197 5.1158 5.1158 5.1158 5.1158 5.7741 5.7741 5.7741 5.7741 6.0602 6.0602 6.0602 6.0602 6.4755 6.4755 6.4755 6.4755 11.1117 11.1117 11.1117 11.1117 11.3607 11.3607 k = 0.5000 0.3855 0.1775 ( 3176 PWs) bands (ev): -2.2956 -2.2956 -2.2956 -2.2956 2.3208 2.3208 2.3208 2.3208 3.9777 3.9777 3.9777 3.9777 4.5351 4.5351 4.5351 4.5351 4.8169 4.8169 4.8169 4.8169 5.1151 5.1151 5.1151 5.1151 5.7716 5.7716 5.7716 5.7716 6.0479 6.0479 6.0479 6.0479 6.4839 6.4839 6.4839 6.4839 11.1882 11.1882 11.1882 11.1882 11.4466 11.4466 k = 0.5000 0.3855 0.1873 ( 3180 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3270 2.3270 2.3270 2.3270 3.9648 3.9648 3.9648 3.9648 4.5387 4.5387 4.5387 4.5387 4.8146 4.8146 4.8146 4.8146 5.1145 5.1145 5.1145 5.1145 5.7696 5.7696 5.7696 5.7696 6.0375 6.0375 6.0375 6.0375 6.4908 6.4908 6.4908 6.4908 11.2573 11.2573 11.2573 11.2573 11.5261 11.5261 k = 0.5000 0.3855 0.1972 ( 3180 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3319 2.3319 2.3319 2.3319 3.9545 3.9545 3.9545 3.9545 4.5416 4.5416 4.5416 4.5416 4.8128 4.8128 4.8128 4.8128 5.1140 5.1140 5.1140 5.1140 5.7679 5.7679 5.7679 5.7679 6.0292 6.0292 6.0292 6.0292 6.4962 6.4962 6.4962 6.4962 11.3162 11.3162 11.3162 11.3162 11.5952 11.5952 k = 0.5000 0.3855 0.2071 ( 3176 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3356 2.3356 2.3356 2.3356 3.9469 3.9469 3.9469 3.9469 4.5437 4.5437 4.5437 4.5437 4.8116 4.8116 4.8116 4.8116 5.1137 5.1137 5.1137 5.1137 5.7668 5.7668 5.7668 5.7668 6.0232 6.0232 6.0232 6.0232 6.5002 6.5002 6.5002 6.5002 11.3614 11.3614 11.3614 11.3614 11.6496 11.6496 k = 0.5000 0.3855 0.2169 ( 3176 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3378 2.3378 2.3378 2.3378 3.9423 3.9423 3.9423 3.9423 4.5451 4.5451 4.5451 4.5451 4.8108 4.8108 4.8108 4.8108 5.1135 5.1135 5.1135 5.1135 5.7661 5.7661 5.7661 5.7661 6.0195 6.0195 6.0195 6.0195 6.5025 6.5025 6.5025 6.5025 11.3900 11.3900 11.3900 11.3900 11.6846 11.6846 k = 0.5000 0.3855 0.2268 ( 3168 PWs) bands (ev): -2.2955 -2.2955 -2.2955 -2.2955 2.3385 2.3385 2.3385 2.3385 3.9408 3.9408 3.9408 3.9408 4.5455 4.5455 4.5455 4.5455 4.8106 4.8106 4.8106 4.8106 5.1135 5.1135 5.1135 5.1135 5.7659 5.7659 5.7659 5.7659 6.0183 6.0183 6.0183 6.0183 6.5034 6.5034 6.5034 6.5034 11.3999 11.3999 11.3999 11.3999 11.6967 11.6967 Writing output data file CuTe.save init_run : 0.24s CPU 0.43s WALL ( 1 calls) electrons : 121.21s CPU 124.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 121.20s CPU 124.83s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 460 calls) cegterg : 110.38s CPU 112.20s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 57.79s CPU 59.22s WALL ( 9653 calls) s_psi : 4.86s CPU 4.91s WALL ( 9653 calls) g_psi : 0.18s CPU 0.18s WALL ( 8637 calls) cdiaghg : 43.72s CPU 44.59s WALL ( 9097 calls) cegterg:over : 4.23s CPU 4.25s WALL ( 8637 calls) cegterg:upda : 3.43s CPU 3.30s WALL ( 8637 calls) cegterg:last : 2.08s CPU 1.96s WALL ( 1476 calls) cdiaghg:chol : 2.26s CPU 2.40s WALL ( 9097 calls) cdiaghg:inve : 1.18s CPU 1.31s WALL ( 9097 calls) cdiaghg:para : 2.58s CPU 2.55s WALL ( 18194 calls) Called by h_psi: h_psi:vloc : 47.12s CPU 48.57s WALL ( 9653 calls) h_psi:vnl : 10.54s CPU 10.47s WALL ( 9653 calls) add_vuspsi : 5.67s CPU 5.62s WALL ( 9653 calls) General routines calbec : 4.83s CPU 4.82s WALL ( 9653 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.86s CPU 46.11s WALL ( 804724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.96s WALL ( 920 calls) Parallel routines fft_scatter : 18.86s CPU 19.27s WALL ( 804747 calls) PWSCF : 2m17.62s CPU 2m35.62s WALL This run was terminated on: 17:55:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=