Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 16:52: 4 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 15 4 1186 799 124 Max 21 16 5 1195 830 139 Sum 1481 1141 333 85691 58529 9405 bravais-lattice index = 14 lattice parameter (alat) = 5.9715 a.u. unit-cell volume = 1390.3180 (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)= 5.971534 celldm(2)= 2.193038 celldm(3)= 2.977215 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 2.193038 0.000000 ) a(3) = ( 0.000000 0.000000 2.977215 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.455988 -0.000000 ) b(3) = ( 0.000000 0.000000 0.335884 ) 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4886076 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4886076 ) 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 =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4886076 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4886076 ) 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= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0026882 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0026882 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0026882 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0026882 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0026882 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0026882 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0026882 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0026882 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0026882 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0026882 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0026882 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0026882 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0026882 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0026882 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0026882 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0026882 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0026882 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0026882 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0026882 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0026882 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0026882 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0026882 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0026882 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0026882 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0026882 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0026882 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0026882 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0026882 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0026882 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0026882 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0026882 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0026882 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0026882 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0026882 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0026882 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0026882 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0026882 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0026882 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0026882 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0026882 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 53) = ( 0.5000000 0.0099128 -0.0000000), wk = 0.0026882 k( 54) = ( 0.5000000 0.0198256 -0.0000000), wk = 0.0026882 k( 55) = ( 0.5000000 0.0297384 -0.0000000), wk = 0.0026882 k( 56) = ( 0.5000000 0.0396512 -0.0000000), wk = 0.0026882 k( 57) = ( 0.5000000 0.0495640 -0.0000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0594768 -0.0000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0693895 -0.0000000), wk = 0.0026882 k( 60) = ( 0.5000000 0.0793023 -0.0000000), wk = 0.0026882 k( 61) = ( 0.5000000 0.0892151 -0.0000000), wk = 0.0026882 k( 62) = ( 0.5000000 0.0991279 -0.0000000), wk = 0.0026882 k( 63) = ( 0.5000000 0.1090407 -0.0000000), wk = 0.0026882 k( 64) = ( 0.5000000 0.1189535 -0.0000000), wk = 0.0026882 k( 65) = ( 0.5000000 0.1288663 -0.0000000), wk = 0.0026882 k( 66) = ( 0.5000000 0.1387791 -0.0000000), wk = 0.0026882 k( 67) = ( 0.5000000 0.1486919 -0.0000000), wk = 0.0026882 k( 68) = ( 0.5000000 0.1586047 -0.0000000), wk = 0.0026882 k( 69) = ( 0.5000000 0.1685175 -0.0000000), wk = 0.0026882 k( 70) = ( 0.5000000 0.1784303 -0.0000000), wk = 0.0026882 k( 71) = ( 0.5000000 0.1883431 -0.0000000), wk = 0.0026882 k( 72) = ( 0.5000000 0.1982559 -0.0000000), wk = 0.0026882 k( 73) = ( 0.5000000 0.2081686 -0.0000000), wk = 0.0026882 k( 74) = ( 0.5000000 0.2180814 -0.0000000), wk = 0.0026882 k( 75) = ( 0.5000000 0.2279942 -0.0000000), wk = 0.0026882 k( 76) = ( 0.5000000 0.2279942 -0.0000000), wk = 0.0026882 k( 77) = ( 0.4900000 0.2279942 -0.0000000), wk = 0.0026882 k( 78) = ( 0.4800000 0.2279942 -0.0000000), wk = 0.0026882 k( 79) = ( 0.4700000 0.2279942 -0.0000000), wk = 0.0026882 k( 80) = ( 0.4600000 0.2279942 -0.0000000), wk = 0.0026882 k( 81) = ( 0.4500000 0.2279942 -0.0000000), wk = 0.0026882 k( 82) = ( 0.4400000 0.2279942 -0.0000000), wk = 0.0026882 k( 83) = ( 0.4300000 0.2279942 -0.0000000), wk = 0.0026882 k( 84) = ( 0.4200000 0.2279942 -0.0000000), wk = 0.0026882 k( 85) = ( 0.4100000 0.2279942 -0.0000000), wk = 0.0026882 k( 86) = ( 0.4000000 0.2279942 -0.0000000), wk = 0.0026882 k( 87) = ( 0.3900000 0.2279942 -0.0000000), wk = 0.0026882 k( 88) = ( 0.3800000 0.2279942 -0.0000000), wk = 0.0026882 k( 89) = ( 0.3700000 0.2279942 -0.0000000), wk = 0.0026882 k( 90) = ( 0.3600000 0.2279942 -0.0000000), wk = 0.0026882 k( 91) = ( 0.3500000 0.2279942 -0.0000000), wk = 0.0026882 k( 92) = ( 0.3400000 0.2279942 -0.0000000), wk = 0.0026882 k( 93) = ( 0.3300000 0.2279942 -0.0000000), wk = 0.0026882 k( 94) = ( 0.3200000 0.2279942 -0.0000000), wk = 0.0026882 k( 95) = ( 0.3100000 0.2279942 -0.0000000), wk = 0.0026882 k( 96) = ( 0.3000000 0.2279942 -0.0000000), wk = 0.0026882 k( 97) = ( 0.2900000 0.2279942 -0.0000000), wk = 0.0026882 k( 98) = ( 0.2800000 0.2279942 -0.0000000), wk = 0.0026882 k( 99) = ( 0.2700000 0.2279942 -0.0000000), wk = 0.0026882 k( 100) = ( 0.2600000 0.2279942 -0.0000000), wk = 0.0026882 k( 101) = ( 0.2500000 0.2279942 -0.0000000), wk = 0.0026882 k( 102) = ( 0.2400000 0.2279942 -0.0000000), wk = 0.0026882 k( 103) = ( 0.2300000 0.2279942 -0.0000000), wk = 0.0026882 k( 104) = ( 0.2200000 0.2279942 -0.0000000), wk = 0.0026882 k( 105) = ( 0.2100000 0.2279942 -0.0000000), wk = 0.0026882 k( 106) = ( 0.2000000 0.2279942 -0.0000000), wk = 0.0026882 k( 107) = ( 0.1900000 0.2279942 -0.0000000), wk = 0.0026882 k( 108) = ( 0.1800000 0.2279942 -0.0000000), wk = 0.0026882 k( 109) = ( 0.1700000 0.2279942 -0.0000000), wk = 0.0026882 k( 110) = ( 0.1600000 0.2279942 -0.0000000), wk = 0.0026882 k( 111) = ( 0.1500000 0.2279942 -0.0000000), wk = 0.0026882 k( 112) = ( 0.1400000 0.2279942 -0.0000000), wk = 0.0026882 k( 113) = ( 0.1300000 0.2279942 -0.0000000), wk = 0.0026882 k( 114) = ( 0.1200000 0.2279942 -0.0000000), wk = 0.0026882 k( 115) = ( 0.1100000 0.2279942 -0.0000000), wk = 0.0026882 k( 116) = ( 0.1000000 0.2279942 -0.0000000), wk = 0.0026882 k( 117) = ( 0.0900000 0.2279942 -0.0000000), wk = 0.0026882 k( 118) = ( 0.0800000 0.2279942 -0.0000000), wk = 0.0026882 k( 119) = ( 0.0700000 0.2279942 -0.0000000), wk = 0.0026882 k( 120) = ( 0.0600000 0.2279942 -0.0000000), wk = 0.0026882 k( 121) = ( 0.0500000 0.2279942 -0.0000000), wk = 0.0026882 k( 122) = ( 0.0400000 0.2279942 -0.0000000), wk = 0.0026882 k( 123) = ( 0.0300000 0.2279942 -0.0000000), wk = 0.0026882 k( 124) = ( 0.0200000 0.2279942 -0.0000000), wk = 0.0026882 k( 125) = ( 0.0100000 0.2279942 -0.0000000), wk = 0.0026882 k( 126) = ( 0.0000000 0.2279942 -0.0000000), wk = 0.0026882 k( 127) = ( 0.0000000 0.2279942 -0.0000000), wk = 0.0026882 k( 128) = ( 0.0000000 0.2180814 -0.0000000), wk = 0.0026882 k( 129) = ( 0.0000000 0.2081686 -0.0000000), wk = 0.0026882 k( 130) = ( 0.0000000 0.1982559 -0.0000000), wk = 0.0026882 k( 131) = ( 0.0000000 0.1883431 -0.0000000), wk = 0.0026882 k( 132) = ( 0.0000000 0.1784303 -0.0000000), wk = 0.0026882 k( 133) = ( 0.0000000 0.1685175 -0.0000000), wk = 0.0026882 k( 134) = ( 0.0000000 0.1586047 -0.0000000), wk = 0.0026882 k( 135) = ( 0.0000000 0.1486919 -0.0000000), wk = 0.0026882 k( 136) = ( 0.0000000 0.1387791 -0.0000000), wk = 0.0026882 k( 137) = ( 0.0000000 0.1288663 -0.0000000), wk = 0.0026882 k( 138) = ( 0.0000000 0.1189535 -0.0000000), wk = 0.0026882 k( 139) = ( 0.0000000 0.1090407 -0.0000000), wk = 0.0026882 k( 140) = ( 0.0000000 0.0991279 -0.0000000), wk = 0.0026882 k( 141) = ( 0.0000000 0.0892151 -0.0000000), wk = 0.0026882 k( 142) = ( 0.0000000 0.0793023 -0.0000000), wk = 0.0026882 k( 143) = ( 0.0000000 0.0693895 -0.0000000), wk = 0.0026882 k( 144) = ( 0.0000000 0.0594768 -0.0000000), wk = 0.0026882 k( 145) = ( 0.0000000 0.0495640 -0.0000000), wk = 0.0026882 k( 146) = ( 0.0000000 0.0396512 -0.0000000), wk = 0.0026882 k( 147) = ( 0.0000000 0.0297384 -0.0000000), wk = 0.0026882 k( 148) = ( 0.0000000 0.0198256 -0.0000000), wk = 0.0026882 k( 149) = ( 0.0000000 0.0099128 -0.0000000), wk = 0.0026882 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 152) = ( 0.0000000 0.0000000 0.0098789), wk = 0.0026882 k( 153) = ( 0.0000000 0.0000000 0.0197579), wk = 0.0026882 k( 154) = ( 0.0000000 0.0000000 0.0296369), wk = 0.0026882 k( 155) = ( 0.0000000 0.0000000 0.0395158), wk = 0.0026882 k( 156) = ( 0.0000000 0.0000000 0.0493948), wk = 0.0026882 k( 157) = ( 0.0000000 0.0000000 0.0592737), wk = 0.0026882 k( 158) = ( 0.0000000 0.0000000 0.0691527), wk = 0.0026882 k( 159) = ( 0.0000000 0.0000000 0.0790316), wk = 0.0026882 k( 160) = ( 0.0000000 0.0000000 0.0889106), wk = 0.0026882 k( 161) = ( 0.0000000 0.0000000 0.0987895), wk = 0.0026882 k( 162) = ( 0.0000000 0.0000000 0.1086685), wk = 0.0026882 k( 163) = ( 0.0000000 0.0000000 0.1185474), wk = 0.0026882 k( 164) = ( 0.0000000 0.0000000 0.1284264), wk = 0.0026882 k( 165) = ( 0.0000000 0.0000000 0.1383053), wk = 0.0026882 k( 166) = ( 0.0000000 0.0000000 0.1481843), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.1580632), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.1679422), wk = 0.0026882 k( 169) = ( 0.0000000 0.0000000 0.1679422), wk = 0.0026882 k( 170) = ( 0.0100000 -0.0000000 0.1679422), wk = 0.0026882 k( 171) = ( 0.0200000 -0.0000000 0.1679422), wk = 0.0026882 k( 172) = ( 0.0300000 -0.0000000 0.1679422), wk = 0.0026882 k( 173) = ( 0.0400000 -0.0000000 0.1679422), wk = 0.0026882 k( 174) = ( 0.0500000 -0.0000000 0.1679422), wk = 0.0026882 k( 175) = ( 0.0600000 -0.0000000 0.1679422), wk = 0.0026882 k( 176) = ( 0.0700000 -0.0000000 0.1679422), wk = 0.0026882 k( 177) = ( 0.0800000 -0.0000000 0.1679422), wk = 0.0026882 k( 178) = ( 0.0900000 -0.0000000 0.1679422), wk = 0.0026882 k( 179) = ( 0.1000000 -0.0000000 0.1679422), wk = 0.0026882 k( 180) = ( 0.1100000 -0.0000000 0.1679422), wk = 0.0026882 k( 181) = ( 0.1200000 -0.0000000 0.1679422), wk = 0.0026882 k( 182) = ( 0.1300000 -0.0000000 0.1679422), wk = 0.0026882 k( 183) = ( 0.1400000 -0.0000000 0.1679422), wk = 0.0026882 k( 184) = ( 0.1500000 -0.0000000 0.1679422), wk = 0.0026882 k( 185) = ( 0.1600000 -0.0000000 0.1679422), wk = 0.0026882 k( 186) = ( 0.1700000 -0.0000000 0.1679422), wk = 0.0026882 k( 187) = ( 0.1800000 -0.0000000 0.1679422), wk = 0.0026882 k( 188) = ( 0.1900000 -0.0000000 0.1679422), wk = 0.0026882 k( 189) = ( 0.2000000 -0.0000000 0.1679422), wk = 0.0026882 k( 190) = ( 0.2100000 -0.0000000 0.1679422), wk = 0.0026882 k( 191) = ( 0.2200000 -0.0000000 0.1679422), wk = 0.0026882 k( 192) = ( 0.2300000 -0.0000000 0.1679422), wk = 0.0026882 k( 193) = ( 0.2400000 -0.0000000 0.1679422), wk = 0.0026882 k( 194) = ( 0.2500000 -0.0000000 0.1679422), wk = 0.0026882 k( 195) = ( 0.2600000 -0.0000000 0.1679422), wk = 0.0026882 k( 196) = ( 0.2700000 -0.0000000 0.1679422), wk = 0.0026882 k( 197) = ( 0.2800000 -0.0000000 0.1679422), wk = 0.0026882 k( 198) = ( 0.2900000 -0.0000000 0.1679422), wk = 0.0026882 k( 199) = ( 0.3000000 -0.0000000 0.1679422), wk = 0.0026882 k( 200) = ( 0.3100000 -0.0000000 0.1679422), wk = 0.0026882 k( 201) = ( 0.3200000 -0.0000000 0.1679422), wk = 0.0026882 k( 202) = ( 0.3300000 -0.0000000 0.1679422), wk = 0.0026882 k( 203) = ( 0.3400000 -0.0000000 0.1679422), wk = 0.0026882 k( 204) = ( 0.3500000 -0.0000000 0.1679422), wk = 0.0026882 k( 205) = ( 0.3600000 -0.0000000 0.1679422), wk = 0.0026882 k( 206) = ( 0.3700000 -0.0000000 0.1679422), wk = 0.0026882 k( 207) = ( 0.3800000 -0.0000000 0.1679422), wk = 0.0026882 k( 208) = ( 0.3900000 -0.0000000 0.1679422), wk = 0.0026882 k( 209) = ( 0.4000000 -0.0000000 0.1679422), wk = 0.0026882 k( 210) = ( 0.4100000 -0.0000000 0.1679422), wk = 0.0026882 k( 211) = ( 0.4200000 -0.0000000 0.1679422), wk = 0.0026882 k( 212) = ( 0.4300000 -0.0000000 0.1679422), wk = 0.0026882 k( 213) = ( 0.4400000 -0.0000000 0.1679422), wk = 0.0026882 k( 214) = ( 0.4500000 -0.0000000 0.1679422), wk = 0.0026882 k( 215) = ( 0.4600000 -0.0000000 0.1679422), wk = 0.0026882 k( 216) = ( 0.4700000 -0.0000000 0.1679422), wk = 0.0026882 k( 217) = ( 0.4800000 -0.0000000 0.1679422), wk = 0.0026882 k( 218) = ( 0.4900000 -0.0000000 0.1679422), wk = 0.0026882 k( 219) = ( 0.5000000 -0.0000000 0.1679422), wk = 0.0026882 k( 220) = ( 0.5000000 -0.0000000 0.1679422), wk = 0.0026882 k( 221) = ( 0.5000000 0.0099128 0.1679422), wk = 0.0026882 k( 222) = ( 0.5000000 0.0198256 0.1679422), wk = 0.0026882 k( 223) = ( 0.5000000 0.0297384 0.1679422), wk = 0.0026882 k( 224) = ( 0.5000000 0.0396512 0.1679422), wk = 0.0026882 k( 225) = ( 0.5000000 0.0495640 0.1679422), wk = 0.0026882 k( 226) = ( 0.5000000 0.0594768 0.1679422), wk = 0.0026882 k( 227) = ( 0.5000000 0.0693895 0.1679422), wk = 0.0026882 k( 228) = ( 0.5000000 0.0793023 0.1679422), wk = 0.0026882 k( 229) = ( 0.5000000 0.0892151 0.1679422), wk = 0.0026882 k( 230) = ( 0.5000000 0.0991279 0.1679422), wk = 0.0026882 k( 231) = ( 0.5000000 0.1090407 0.1679422), wk = 0.0026882 k( 232) = ( 0.5000000 0.1189535 0.1679422), wk = 0.0026882 k( 233) = ( 0.5000000 0.1288663 0.1679422), wk = 0.0026882 k( 234) = ( 0.5000000 0.1387791 0.1679422), wk = 0.0026882 k( 235) = ( 0.5000000 0.1486919 0.1679422), wk = 0.0026882 k( 236) = ( 0.5000000 0.1586047 0.1679422), wk = 0.0026882 k( 237) = ( 0.5000000 0.1685175 0.1679422), wk = 0.0026882 k( 238) = ( 0.5000000 0.1784303 0.1679422), wk = 0.0026882 k( 239) = ( 0.5000000 0.1883431 0.1679422), wk = 0.0026882 k( 240) = ( 0.5000000 0.1982559 0.1679422), wk = 0.0026882 k( 241) = ( 0.5000000 0.2081686 0.1679422), wk = 0.0026882 k( 242) = ( 0.5000000 0.2180814 0.1679422), wk = 0.0026882 k( 243) = ( 0.5000000 0.2279942 0.1679422), wk = 0.0026882 k( 244) = ( 0.5000000 0.2279942 0.1679422), wk = 0.0026882 k( 245) = ( 0.4900000 0.2279942 0.1679422), wk = 0.0026882 k( 246) = ( 0.4800000 0.2279942 0.1679422), wk = 0.0026882 k( 247) = ( 0.4700000 0.2279942 0.1679422), wk = 0.0026882 k( 248) = ( 0.4600000 0.2279942 0.1679422), wk = 0.0026882 k( 249) = ( 0.4500000 0.2279942 0.1679422), wk = 0.0026882 k( 250) = ( 0.4400000 0.2279942 0.1679422), wk = 0.0026882 k( 251) = ( 0.4300000 0.2279942 0.1679422), wk = 0.0026882 k( 252) = ( 0.4200000 0.2279942 0.1679422), wk = 0.0026882 k( 253) = ( 0.4100000 0.2279942 0.1679422), wk = 0.0026882 k( 254) = ( 0.4000000 0.2279942 0.1679422), wk = 0.0026882 k( 255) = ( 0.3900000 0.2279942 0.1679422), wk = 0.0026882 k( 256) = ( 0.3800000 0.2279942 0.1679422), wk = 0.0026882 k( 257) = ( 0.3700000 0.2279942 0.1679422), wk = 0.0026882 k( 258) = ( 0.3600000 0.2279942 0.1679422), wk = 0.0026882 k( 259) = ( 0.3500000 0.2279942 0.1679422), wk = 0.0026882 k( 260) = ( 0.3400000 0.2279942 0.1679422), wk = 0.0026882 k( 261) = ( 0.3300000 0.2279942 0.1679422), wk = 0.0026882 k( 262) = ( 0.3200000 0.2279942 0.1679422), wk = 0.0026882 k( 263) = ( 0.3100000 0.2279942 0.1679422), wk = 0.0026882 k( 264) = ( 0.3000000 0.2279942 0.1679422), wk = 0.0026882 k( 265) = ( 0.2900000 0.2279942 0.1679422), wk = 0.0026882 k( 266) = ( 0.2800000 0.2279942 0.1679422), wk = 0.0026882 k( 267) = ( 0.2700000 0.2279942 0.1679422), wk = 0.0026882 k( 268) = ( 0.2600000 0.2279942 0.1679422), wk = 0.0026882 k( 269) = ( 0.2500000 0.2279942 0.1679422), wk = 0.0026882 k( 270) = ( 0.2400000 0.2279942 0.1679422), wk = 0.0026882 k( 271) = ( 0.2300000 0.2279942 0.1679422), wk = 0.0026882 k( 272) = ( 0.2200000 0.2279942 0.1679422), wk = 0.0026882 k( 273) = ( 0.2100000 0.2279942 0.1679422), wk = 0.0026882 k( 274) = ( 0.2000000 0.2279942 0.1679422), wk = 0.0026882 k( 275) = ( 0.1900000 0.2279942 0.1679422), wk = 0.0026882 k( 276) = ( 0.1800000 0.2279942 0.1679422), wk = 0.0026882 k( 277) = ( 0.1700000 0.2279942 0.1679422), wk = 0.0026882 k( 278) = ( 0.1600000 0.2279942 0.1679422), wk = 0.0026882 k( 279) = ( 0.1500000 0.2279942 0.1679422), wk = 0.0026882 k( 280) = ( 0.1400000 0.2279942 0.1679422), wk = 0.0026882 k( 281) = ( 0.1300000 0.2279942 0.1679422), wk = 0.0026882 k( 282) = ( 0.1200000 0.2279942 0.1679422), wk = 0.0026882 k( 283) = ( 0.1100000 0.2279942 0.1679422), wk = 0.0026882 k( 284) = ( 0.1000000 0.2279942 0.1679422), wk = 0.0026882 k( 285) = ( 0.0900000 0.2279942 0.1679422), wk = 0.0026882 k( 286) = ( 0.0800000 0.2279942 0.1679422), wk = 0.0026882 k( 287) = ( 0.0700000 0.2279942 0.1679422), wk = 0.0026882 k( 288) = ( 0.0600000 0.2279942 0.1679422), wk = 0.0026882 k( 289) = ( 0.0500000 0.2279942 0.1679422), wk = 0.0026882 k( 290) = ( 0.0400000 0.2279942 0.1679422), wk = 0.0026882 k( 291) = ( 0.0300000 0.2279942 0.1679422), wk = 0.0026882 k( 292) = ( 0.0200000 0.2279942 0.1679422), wk = 0.0026882 k( 293) = ( 0.0100000 0.2279942 0.1679422), wk = 0.0026882 k( 294) = ( 0.0000000 0.2279942 0.1679422), wk = 0.0026882 k( 295) = ( 0.0000000 0.2279942 0.1679422), wk = 0.0026882 k( 296) = ( 0.0000000 0.2180814 0.1679422), wk = 0.0026882 k( 297) = ( 0.0000000 0.2081686 0.1679422), wk = 0.0026882 k( 298) = ( 0.0000000 0.1982559 0.1679422), wk = 0.0026882 k( 299) = ( 0.0000000 0.1883431 0.1679422), wk = 0.0026882 k( 300) = ( 0.0000000 0.1784303 0.1679422), wk = 0.0026882 k( 301) = ( 0.0000000 0.1685175 0.1679422), wk = 0.0026882 k( 302) = ( 0.0000000 0.1586047 0.1679422), wk = 0.0026882 k( 303) = ( 0.0000000 0.1486919 0.1679422), wk = 0.0026882 k( 304) = ( 0.0000000 0.1387791 0.1679422), wk = 0.0026882 k( 305) = ( 0.0000000 0.1288663 0.1679422), wk = 0.0026882 k( 306) = ( 0.0000000 0.1189535 0.1679422), wk = 0.0026882 k( 307) = ( 0.0000000 0.1090407 0.1679422), wk = 0.0026882 k( 308) = ( 0.0000000 0.0991279 0.1679422), wk = 0.0026882 k( 309) = ( 0.0000000 0.0892151 0.1679422), wk = 0.0026882 k( 310) = ( 0.0000000 0.0793023 0.1679422), wk = 0.0026882 k( 311) = ( 0.0000000 0.0693895 0.1679422), wk = 0.0026882 k( 312) = ( 0.0000000 0.0594768 0.1679422), wk = 0.0026882 k( 313) = ( 0.0000000 0.0495640 0.1679422), wk = 0.0026882 k( 314) = ( 0.0000000 0.0396512 0.1679422), wk = 0.0026882 k( 315) = ( 0.0000000 0.0297384 0.1679422), wk = 0.0026882 k( 316) = ( 0.0000000 0.0198256 0.1679422), wk = 0.0026882 k( 317) = ( 0.0000000 0.0099128 0.1679422), wk = 0.0026882 k( 318) = ( 0.0000000 0.0000000 0.1679422), wk = 0.0026882 k( 319) = ( 0.0000000 0.2279942 -0.0000000), wk = 0.0026882 k( 320) = ( 0.0000000 0.2279942 0.0098789), wk = 0.0026882 k( 321) = ( 0.0000000 0.2279942 0.0197579), wk = 0.0026882 k( 322) = ( 0.0000000 0.2279942 0.0296369), wk = 0.0026882 k( 323) = ( 0.0000000 0.2279942 0.0395158), wk = 0.0026882 k( 324) = ( 0.0000000 0.2279942 0.0493948), wk = 0.0026882 k( 325) = ( 0.0000000 0.2279942 0.0592737), wk = 0.0026882 k( 326) = ( 0.0000000 0.2279942 0.0691527), wk = 0.0026882 k( 327) = ( 0.0000000 0.2279942 0.0790316), wk = 0.0026882 k( 328) = ( 0.0000000 0.2279942 0.0889106), wk = 0.0026882 k( 329) = ( 0.0000000 0.2279942 0.0987895), wk = 0.0026882 k( 330) = ( 0.0000000 0.2279942 0.1086685), wk = 0.0026882 k( 331) = ( 0.0000000 0.2279942 0.1185474), wk = 0.0026882 k( 332) = ( 0.0000000 0.2279942 0.1284264), wk = 0.0026882 k( 333) = ( 0.0000000 0.2279942 0.1383053), wk = 0.0026882 k( 334) = ( 0.0000000 0.2279942 0.1481843), wk = 0.0026882 k( 335) = ( 0.0000000 0.2279942 0.1580632), wk = 0.0026882 k( 336) = ( 0.0000000 0.2279942 0.1679422), wk = 0.0026882 k( 337) = ( 0.5000000 -0.0000000 0.1679422), wk = 0.0026882 k( 338) = ( 0.5000000 -0.0000000 0.1580632), wk = 0.0026882 k( 339) = ( 0.5000000 -0.0000000 0.1481843), wk = 0.0026882 k( 340) = ( 0.5000000 -0.0000000 0.1383053), wk = 0.0026882 k( 341) = ( 0.5000000 -0.0000000 0.1284264), wk = 0.0026882 k( 342) = ( 0.5000000 -0.0000000 0.1185474), wk = 0.0026882 k( 343) = ( 0.5000000 -0.0000000 0.1086685), wk = 0.0026882 k( 344) = ( 0.5000000 -0.0000000 0.0987895), wk = 0.0026882 k( 345) = ( 0.5000000 -0.0000000 0.0889106), wk = 0.0026882 k( 346) = ( 0.5000000 -0.0000000 0.0790316), wk = 0.0026882 k( 347) = ( 0.5000000 -0.0000000 0.0691527), wk = 0.0026882 k( 348) = ( 0.5000000 -0.0000000 0.0592737), wk = 0.0026882 k( 349) = ( 0.5000000 -0.0000000 0.0493948), wk = 0.0026882 k( 350) = ( 0.5000000 -0.0000000 0.0395158), wk = 0.0026882 k( 351) = ( 0.5000000 -0.0000000 0.0296369), wk = 0.0026882 k( 352) = ( 0.5000000 -0.0000000 0.0197579), wk = 0.0026882 k( 353) = ( 0.5000000 -0.0000000 0.0098789), wk = 0.0026882 k( 354) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 355) = ( 0.5000000 0.2279942 -0.0000000), wk = 0.0026882 k( 356) = ( 0.5000000 0.2279942 0.0098789), wk = 0.0026882 k( 357) = ( 0.5000000 0.2279942 0.0197579), wk = 0.0026882 k( 358) = ( 0.5000000 0.2279942 0.0296369), wk = 0.0026882 k( 359) = ( 0.5000000 0.2279942 0.0395158), wk = 0.0026882 k( 360) = ( 0.5000000 0.2279942 0.0493948), wk = 0.0026882 k( 361) = ( 0.5000000 0.2279942 0.0592737), wk = 0.0026882 k( 362) = ( 0.5000000 0.2279942 0.0691527), wk = 0.0026882 k( 363) = ( 0.5000000 0.2279942 0.0790316), wk = 0.0026882 k( 364) = ( 0.5000000 0.2279942 0.0889106), wk = 0.0026882 k( 365) = ( 0.5000000 0.2279942 0.0987895), wk = 0.0026882 k( 366) = ( 0.5000000 0.2279942 0.1086685), wk = 0.0026882 k( 367) = ( 0.5000000 0.2279942 0.1185474), wk = 0.0026882 k( 368) = ( 0.5000000 0.2279942 0.1284264), wk = 0.0026882 k( 369) = ( 0.5000000 0.2279942 0.1383053), wk = 0.0026882 k( 370) = ( 0.5000000 0.2279942 0.1481843), wk = 0.0026882 k( 371) = ( 0.5000000 0.2279942 0.1580632), wk = 0.0026882 k( 372) = ( 0.5000000 0.2279942 0.1679422), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0100000 -0.0000000 0.0000000), wk = 0.0026882 k( 3) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0026882 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0026882 k( 5) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0026882 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0026882 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0026882 k( 8) = ( 0.0700000 -0.0000000 0.0000000), wk = 0.0026882 k( 9) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0026882 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0026882 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0026882 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0026882 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0026882 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0026882 k( 15) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0026882 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0026882 k( 17) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0026882 k( 18) = ( 0.1700000 -0.0000000 0.0000000), wk = 0.0026882 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0026882 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0026882 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0026882 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0026882 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0026882 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0026882 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0026882 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026882 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0026882 k( 28) = ( 0.2700000 -0.0000000 0.0000000), wk = 0.0026882 k( 29) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0026882 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0026882 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0026882 k( 32) = ( 0.3100000 -0.0000000 0.0000000), wk = 0.0026882 k( 33) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0026882 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0026882 k( 35) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0026882 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0026882 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0026882 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0026882 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0026882 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0026882 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0026882 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0026882 k( 44) = ( 0.4300000 0.0000000 0.0000000), wk = 0.0026882 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0026882 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0026882 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0026882 k( 48) = ( 0.4700000 0.0000000 0.0000000), wk = 0.0026882 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0026882 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0026882 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 53) = ( 0.5000000 0.0217391 0.0000000), wk = 0.0026882 k( 54) = ( 0.5000000 0.0434783 0.0000000), wk = 0.0026882 k( 55) = ( 0.5000000 0.0652174 0.0000000), wk = 0.0026882 k( 56) = ( 0.5000000 0.0869565 0.0000000), wk = 0.0026882 k( 57) = ( 0.5000000 0.1086957 0.0000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.1304348 0.0000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.1521739 0.0000000), wk = 0.0026882 k( 60) = ( 0.5000000 0.1739130 0.0000000), wk = 0.0026882 k( 61) = ( 0.5000000 0.1956522 -0.0000000), wk = 0.0026882 k( 62) = ( 0.5000000 0.2173913 -0.0000000), wk = 0.0026882 k( 63) = ( 0.5000000 0.2391304 -0.0000000), wk = 0.0026882 k( 64) = ( 0.5000000 0.2608696 0.0000000), wk = 0.0026882 k( 65) = ( 0.5000000 0.2826087 0.0000000), wk = 0.0026882 k( 66) = ( 0.5000000 0.3043478 0.0000000), wk = 0.0026882 k( 67) = ( 0.5000000 0.3260870 0.0000000), wk = 0.0026882 k( 68) = ( 0.5000000 0.3478261 -0.0000000), wk = 0.0026882 k( 69) = ( 0.5000000 0.3695652 0.0000000), wk = 0.0026882 k( 70) = ( 0.5000000 0.3913043 0.0000000), wk = 0.0026882 k( 71) = ( 0.5000000 0.4130435 0.0000000), wk = 0.0026882 k( 72) = ( 0.5000000 0.4347826 0.0000000), wk = 0.0026882 k( 73) = ( 0.5000000 0.4565217 0.0000000), wk = 0.0026882 k( 74) = ( 0.5000000 0.4782609 0.0000000), wk = 0.0026882 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026882 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026882 k( 77) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0026882 k( 78) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0026882 k( 79) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0026882 k( 80) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0026882 k( 81) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0026882 k( 82) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0026882 k( 83) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0026882 k( 84) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0026882 k( 85) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0026882 k( 86) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0026882 k( 87) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0026882 k( 88) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0026882 k( 89) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0026882 k( 90) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0026882 k( 91) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0026882 k( 92) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0026882 k( 93) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0026882 k( 94) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0026882 k( 95) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0026882 k( 96) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026882 k( 97) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0026882 k( 98) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0026882 k( 99) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0026882 k( 100) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0026882 k( 101) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026882 k( 102) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0026882 k( 103) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0026882 k( 104) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0026882 k( 105) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0026882 k( 106) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026882 k( 107) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0026882 k( 108) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0026882 k( 109) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0026882 k( 110) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0026882 k( 111) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026882 k( 112) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0026882 k( 113) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0026882 k( 114) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0026882 k( 115) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0026882 k( 116) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026882 k( 117) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0026882 k( 118) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0026882 k( 119) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0026882 k( 120) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0026882 k( 121) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0026882 k( 122) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0026882 k( 123) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0026882 k( 124) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0026882 k( 125) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0026882 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 128) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0026882 k( 129) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0026882 k( 130) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0026882 k( 131) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0026882 k( 132) = ( 0.0000000 0.3913043 -0.0000000), wk = 0.0026882 k( 133) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0026882 k( 134) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0026882 k( 135) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0026882 k( 136) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0026882 k( 137) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0026882 k( 138) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0026882 k( 139) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0026882 k( 140) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0026882 k( 141) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0026882 k( 142) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0026882 k( 143) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0026882 k( 144) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0026882 k( 145) = ( 0.0000000 0.1086956 0.0000000), wk = 0.0026882 k( 146) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0026882 k( 147) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0026882 k( 148) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0026882 k( 149) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0026882 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 152) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026882 k( 153) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026882 k( 154) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026882 k( 155) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026882 k( 156) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026882 k( 157) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026882 k( 158) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026882 k( 159) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026882 k( 160) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026882 k( 161) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026882 k( 162) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026882 k( 163) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026882 k( 164) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026882 k( 165) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026882 k( 166) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 170) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0026882 k( 171) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0026882 k( 172) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0026882 k( 173) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0026882 k( 174) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0026882 k( 175) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0026882 k( 176) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0026882 k( 177) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0026882 k( 178) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0026882 k( 179) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0026882 k( 180) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0026882 k( 181) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0026882 k( 182) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0026882 k( 183) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0026882 k( 184) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0026882 k( 185) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0026882 k( 186) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0026882 k( 187) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0026882 k( 188) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0026882 k( 189) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0026882 k( 190) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0026882 k( 191) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0026882 k( 192) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0026882 k( 193) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0026882 k( 194) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026882 k( 195) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0026882 k( 196) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0026882 k( 197) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0026882 k( 198) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0026882 k( 199) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0026882 k( 200) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0026882 k( 201) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0026882 k( 202) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0026882 k( 203) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0026882 k( 204) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0026882 k( 205) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0026882 k( 206) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0026882 k( 207) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0026882 k( 208) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0026882 k( 209) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0026882 k( 210) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0026882 k( 211) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0026882 k( 212) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0026882 k( 213) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0026882 k( 214) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0026882 k( 215) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0026882 k( 216) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0026882 k( 217) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 221) = ( 0.5000000 0.0217391 0.5000000), wk = 0.0026882 k( 222) = ( 0.5000000 0.0434783 0.5000000), wk = 0.0026882 k( 223) = ( 0.5000000 0.0652174 0.5000000), wk = 0.0026882 k( 224) = ( 0.5000000 0.0869565 0.5000000), wk = 0.0026882 k( 225) = ( 0.5000000 0.1086957 0.5000000), wk = 0.0026882 k( 226) = ( 0.5000000 0.1304348 0.5000000), wk = 0.0026882 k( 227) = ( 0.5000000 0.1521739 0.5000000), wk = 0.0026882 k( 228) = ( 0.5000000 0.1739130 0.5000000), wk = 0.0026882 k( 229) = ( 0.5000000 0.1956522 0.5000000), wk = 0.0026882 k( 230) = ( 0.5000000 0.2173913 0.5000000), wk = 0.0026882 k( 231) = ( 0.5000000 0.2391304 0.5000000), wk = 0.0026882 k( 232) = ( 0.5000000 0.2608696 0.5000000), wk = 0.0026882 k( 233) = ( 0.5000000 0.2826087 0.5000000), wk = 0.0026882 k( 234) = ( 0.5000000 0.3043478 0.5000000), wk = 0.0026882 k( 235) = ( 0.5000000 0.3260870 0.5000000), wk = 0.0026882 k( 236) = ( 0.5000000 0.3478261 0.5000000), wk = 0.0026882 k( 237) = ( 0.5000000 0.3695652 0.5000000), wk = 0.0026882 k( 238) = ( 0.5000000 0.3913043 0.5000000), wk = 0.0026882 k( 239) = ( 0.5000000 0.4130435 0.5000000), wk = 0.0026882 k( 240) = ( 0.5000000 0.4347826 0.5000000), wk = 0.0026882 k( 241) = ( 0.5000000 0.4565217 0.5000000), wk = 0.0026882 k( 242) = ( 0.5000000 0.4782609 0.5000000), wk = 0.0026882 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 245) = ( 0.4900000 0.5000000 0.5000000), wk = 0.0026882 k( 246) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0026882 k( 247) = ( 0.4700000 0.5000000 0.5000000), wk = 0.0026882 k( 248) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0026882 k( 249) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0026882 k( 250) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0026882 k( 251) = ( 0.4300000 0.5000000 0.5000000), wk = 0.0026882 k( 252) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0026882 k( 253) = ( 0.4100000 0.5000000 0.5000000), wk = 0.0026882 k( 254) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026882 k( 255) = ( 0.3900000 0.5000000 0.5000000), wk = 0.0026882 k( 256) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0026882 k( 257) = ( 0.3700000 0.5000000 0.5000000), wk = 0.0026882 k( 258) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0026882 k( 259) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0026882 k( 260) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0026882 k( 261) = ( 0.3300000 0.5000000 0.5000000), wk = 0.0026882 k( 262) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0026882 k( 263) = ( 0.3100000 0.5000000 0.5000000), wk = 0.0026882 k( 264) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026882 k( 265) = ( 0.2900000 0.5000000 0.5000000), wk = 0.0026882 k( 266) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0026882 k( 267) = ( 0.2700000 0.5000000 0.5000000), wk = 0.0026882 k( 268) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0026882 k( 269) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026882 k( 270) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0026882 k( 271) = ( 0.2300000 0.5000000 0.5000000), wk = 0.0026882 k( 272) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0026882 k( 273) = ( 0.2100000 0.5000000 0.5000000), wk = 0.0026882 k( 274) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026882 k( 275) = ( 0.1900000 0.5000000 0.5000000), wk = 0.0026882 k( 276) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0026882 k( 277) = ( 0.1700000 0.5000000 0.5000000), wk = 0.0026882 k( 278) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0026882 k( 279) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0026882 k( 280) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0026882 k( 281) = ( 0.1300000 0.5000000 0.5000000), wk = 0.0026882 k( 282) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0026882 k( 283) = ( 0.1100000 0.5000000 0.5000000), wk = 0.0026882 k( 284) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026882 k( 285) = ( 0.0900000 0.5000000 0.5000000), wk = 0.0026882 k( 286) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0026882 k( 287) = ( 0.0700000 0.5000000 0.5000000), wk = 0.0026882 k( 288) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0026882 k( 289) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0026882 k( 290) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0026882 k( 291) = ( 0.0300000 0.5000000 0.5000000), wk = 0.0026882 k( 292) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0026882 k( 293) = ( 0.0100000 0.5000000 0.5000000), wk = 0.0026882 k( 294) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 295) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 296) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0026882 k( 297) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0026882 k( 298) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0026882 k( 299) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0026882 k( 300) = ( 0.0000000 0.3913043 0.5000000), wk = 0.0026882 k( 301) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0026882 k( 302) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0026882 k( 303) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0026882 k( 304) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0026882 k( 305) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0026882 k( 306) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0026882 k( 307) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0026882 k( 308) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0026882 k( 309) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0026882 k( 310) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0026882 k( 311) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0026882 k( 312) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0026882 k( 313) = ( 0.0000000 0.1086956 0.5000000), wk = 0.0026882 k( 314) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0026882 k( 315) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0026882 k( 316) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0026882 k( 317) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0026882 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 319) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 320) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0026882 k( 321) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0026882 k( 322) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0026882 k( 323) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0026882 k( 324) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0026882 k( 325) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0026882 k( 326) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0026882 k( 327) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0026882 k( 328) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0026882 k( 329) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0026882 k( 330) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0026882 k( 331) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0026882 k( 332) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0026882 k( 333) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0026882 k( 334) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0026882 k( 335) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0026882 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 338) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0026882 k( 339) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0026882 k( 340) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0026882 k( 341) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0026882 k( 342) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0026882 k( 343) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0026882 k( 344) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0026882 k( 345) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0026882 k( 346) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0026882 k( 347) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0026882 k( 348) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0026882 k( 349) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0026882 k( 350) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0026882 k( 351) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0026882 k( 352) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0026882 k( 353) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0026882 k( 354) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 355) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026882 k( 356) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0026882 k( 357) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0026882 k( 358) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0026882 k( 359) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0026882 k( 360) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0026882 k( 361) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0026882 k( 362) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0026882 k( 363) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0026882 k( 364) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0026882 k( 365) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0026882 k( 366) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0026882 k( 367) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0026882 k( 368) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0026882 k( 369) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0026882 k( 370) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0026882 k( 371) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0026882 k( 372) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 Dense grid: 85691 G-vectors FFT dimensions: ( 30, 72, 90) Smooth grid: 58529 G-vectors FFT dimensions: ( 25, 60, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 208, 42) NL pseudopotentials 0.22 Mb ( 104, 136) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1188) G-vector shells 0.00 Mb ( 577) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 208, 168) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.17 Mb ( 136, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.7 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.7 secs Computing kpt #: 22 total cpu time spent up to now is 13.1 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.0 secs Computing kpt #: 27 total cpu time spent up to now is 15.5 secs Computing kpt #: 28 total cpu time spent up to now is 16.0 secs Computing kpt #: 29 total cpu time spent up to now is 16.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 19.2 secs Computing kpt #: 35 total cpu time spent up to now is 19.7 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.5 secs Computing kpt #: 40 total cpu time spent up to now is 23.1 secs Computing kpt #: 41 total cpu time spent up to now is 23.6 secs Computing kpt #: 42 total cpu time spent up to now is 24.2 secs Computing kpt #: 43 total cpu time spent up to now is 24.8 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 26.1 secs Computing kpt #: 46 total cpu time spent up to now is 26.8 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.2 secs Computing kpt #: 49 total cpu time spent up to now is 28.9 secs Computing kpt #: 50 total cpu time spent up to now is 29.6 secs Computing kpt #: 51 total cpu time spent up to now is 30.1 secs Computing kpt #: 52 total cpu time spent up to now is 30.7 secs Computing kpt #: 53 total cpu time spent up to now is 31.2 secs Computing kpt #: 54 total cpu time spent up to now is 31.7 secs Computing kpt #: 55 total cpu time spent up to now is 32.2 secs Computing kpt #: 56 total cpu time spent up to now is 32.8 secs Computing kpt #: 57 total cpu time spent up to now is 33.3 secs Computing kpt #: 58 total cpu time spent up to now is 33.9 secs Computing kpt #: 59 total cpu time spent up to now is 34.5 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 36.1 secs Computing kpt #: 63 total cpu time spent up to now is 36.6 secs Computing kpt #: 64 total cpu time spent up to now is 37.7 secs Computing kpt #: 65 total cpu time spent up to now is 38.3 secs Computing kpt #: 66 total cpu time spent up to now is 38.8 secs Computing kpt #: 67 total cpu time spent up to now is 39.4 secs Computing kpt #: 68 total cpu time spent up to now is 40.1 secs Computing kpt #: 69 total cpu time spent up to now is 40.7 secs Computing kpt #: 70 total cpu time spent up to now is 41.5 secs Computing kpt #: 71 total cpu time spent up to now is 42.2 secs Computing kpt #: 72 total cpu time spent up to now is 43.0 secs Computing kpt #: 73 total cpu time spent up to now is 43.8 secs Computing kpt #: 74 total cpu time spent up to now is 44.7 secs Computing kpt #: 75 total cpu time spent up to now is 45.6 secs Computing kpt #: 76 total cpu time spent up to now is 46.5 secs Computing kpt #: 77 total cpu time spent up to now is 47.6 secs Computing kpt #: 78 total cpu time spent up to now is 48.7 secs Computing kpt #: 79 total cpu time spent up to now is 49.6 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.3 secs Computing kpt #: 82 total cpu time spent up to now is 52.1 secs Computing kpt #: 83 total cpu time spent up to now is 52.9 secs Computing kpt #: 84 total cpu time spent up to now is 53.6 secs Computing kpt #: 85 total cpu time spent up to now is 54.3 secs Computing kpt #: 86 total cpu time spent up to now is 55.0 secs Computing kpt #: 87 total cpu time spent up to now is 55.6 secs Computing kpt #: 88 total cpu time spent up to now is 56.2 secs Computing kpt #: 89 total cpu time spent up to now is 56.7 secs Computing kpt #: 90 total cpu time spent up to now is 57.3 secs Computing kpt #: 91 total cpu time spent up to now is 57.8 secs Computing kpt #: 92 total cpu time spent up to now is 58.3 secs Computing kpt #: 93 total cpu time spent up to now is 58.7 secs Computing kpt #: 94 total cpu time spent up to now is 59.2 secs Computing kpt #: 95 total cpu time spent up to now is 59.7 secs Computing kpt #: 96 total cpu time spent up to now is 60.2 secs Computing kpt #: 97 total cpu time spent up to now is 60.7 secs Computing kpt #: 98 total cpu time spent up to now is 61.2 secs Computing kpt #: 99 total cpu time spent up to now is 61.7 secs Computing kpt #: 100 total cpu time spent up to now is 62.2 secs Computing kpt #: 101 total cpu time spent up to now is 62.6 secs Computing kpt #: 102 total cpu time spent up to now is 63.1 secs Computing kpt #: 103 total cpu time spent up to now is 63.6 secs Computing kpt #: 104 total cpu time spent up to now is 64.1 secs Computing kpt #: 105 total cpu time spent up to now is 64.6 secs Computing kpt #: 106 total cpu time spent up to now is 65.1 secs Computing kpt #: 107 total cpu time spent up to now is 65.6 secs Computing kpt #: 108 total cpu time spent up to now is 66.0 secs Computing kpt #: 109 total cpu time spent up to now is 66.5 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 68.0 secs Computing kpt #: 113 total cpu time spent up to now is 68.5 secs Computing kpt #: 114 total cpu time spent up to now is 69.0 secs Computing kpt #: 115 total cpu time spent up to now is 69.5 secs Computing kpt #: 116 total cpu time spent up to now is 70.0 secs Computing kpt #: 117 total cpu time spent up to now is 70.6 secs Computing kpt #: 118 total cpu time spent up to now is 71.1 secs Computing kpt #: 119 total cpu time spent up to now is 71.6 secs Computing kpt #: 120 total cpu time spent up to now is 72.2 secs Computing kpt #: 121 total cpu time spent up to now is 72.7 secs Computing kpt #: 122 total cpu time spent up to now is 73.3 secs Computing kpt #: 123 total cpu time spent up to now is 73.8 secs Computing kpt #: 124 total cpu time spent up to now is 74.4 secs Computing kpt #: 125 total cpu time spent up to now is 74.9 secs Computing kpt #: 126 total cpu time spent up to now is 75.4 secs Computing kpt #: 127 total cpu time spent up to now is 76.0 secs Computing kpt #: 128 total cpu time spent up to now is 76.5 secs Computing kpt #: 129 total cpu time spent up to now is 77.1 secs Computing kpt #: 130 total cpu time spent up to now is 77.6 secs Computing kpt #: 131 total cpu time spent up to now is 78.2 secs Computing kpt #: 132 total cpu time spent up to now is 78.7 secs Computing kpt #: 133 total cpu time spent up to now is 79.3 secs Computing kpt #: 134 total cpu time spent up to now is 79.8 secs Computing kpt #: 135 total cpu time spent up to now is 80.4 secs Computing kpt #: 136 total cpu time spent up to now is 81.0 secs Computing kpt #: 137 total cpu time spent up to now is 81.5 secs Computing kpt #: 138 total cpu time spent up to now is 82.1 secs Computing kpt #: 139 total cpu time spent up to now is 82.6 secs Computing kpt #: 140 total cpu time spent up to now is 83.2 secs Computing kpt #: 141 total cpu time spent up to now is 83.7 secs Computing kpt #: 142 total cpu time spent up to now is 84.3 secs Computing kpt #: 143 total cpu time spent up to now is 84.8 secs Computing kpt #: 144 total cpu time spent up to now is 85.3 secs Computing kpt #: 145 total cpu time spent up to now is 85.8 secs Computing kpt #: 146 total cpu time spent up to now is 86.4 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.9 secs Computing kpt #: 150 total cpu time spent up to now is 88.4 secs Computing kpt #: 151 total cpu time spent up to now is 88.9 secs Computing kpt #: 152 total cpu time spent up to now is 89.4 secs Computing kpt #: 153 total cpu time spent up to now is 89.9 secs Computing kpt #: 154 total cpu time spent up to now is 90.4 secs Computing kpt #: 155 total cpu time spent up to now is 90.9 secs Computing kpt #: 156 total cpu time spent up to now is 91.4 secs Computing kpt #: 157 total cpu time spent up to now is 91.9 secs Computing kpt #: 158 total cpu time spent up to now is 92.5 secs Computing kpt #: 159 total cpu time spent up to now is 93.0 secs Computing kpt #: 160 total cpu time spent up to now is 93.5 secs Computing kpt #: 161 total cpu time spent up to now is 94.1 secs Computing kpt #: 162 total cpu time spent up to now is 94.6 secs Computing kpt #: 163 total cpu time spent up to now is 95.2 secs Computing kpt #: 164 total cpu time spent up to now is 95.8 secs Computing kpt #: 165 total cpu time spent up to now is 96.4 secs Computing kpt #: 166 total cpu time spent up to now is 97.0 secs Computing kpt #: 167 total cpu time spent up to now is 97.6 secs Computing kpt #: 168 total cpu time spent up to now is 98.1 secs Computing kpt #: 169 total cpu time spent up to now is 98.7 secs Computing kpt #: 170 total cpu time spent up to now is 99.4 secs Computing kpt #: 171 total cpu time spent up to now is 100.1 secs Computing kpt #: 172 total cpu time spent up to now is 100.8 secs Computing kpt #: 173 total cpu time spent up to now is 101.4 secs Computing kpt #: 174 total cpu time spent up to now is 102.1 secs Computing kpt #: 175 total cpu time spent up to now is 102.8 secs Computing kpt #: 176 total cpu time spent up to now is 103.5 secs Computing kpt #: 177 total cpu time spent up to now is 104.1 secs Computing kpt #: 178 total cpu time spent up to now is 104.8 secs Computing kpt #: 179 total cpu time spent up to now is 105.5 secs Computing kpt #: 180 total cpu time spent up to now is 106.1 secs Computing kpt #: 181 total cpu time spent up to now is 106.9 secs Computing kpt #: 182 total cpu time spent up to now is 107.6 secs Computing kpt #: 183 total cpu time spent up to now is 108.3 secs Computing kpt #: 184 total cpu time spent up to now is 108.8 secs Computing kpt #: 185 total cpu time spent up to now is 109.6 secs Computing kpt #: 186 total cpu time spent up to now is 110.1 secs Computing kpt #: 187 total cpu time spent up to now is 110.5 secs Computing kpt #: 188 total cpu time spent up to now is 111.0 secs Computing kpt #: 189 total cpu time spent up to now is 111.5 secs Computing kpt #: 190 total cpu time spent up to now is 112.0 secs Computing kpt #: 191 total cpu time spent up to now is 112.6 secs Computing kpt #: 192 total cpu time spent up to now is 113.3 secs Computing kpt #: 193 total cpu time spent up to now is 114.0 secs Computing kpt #: 194 total cpu time spent up to now is 114.6 secs Computing kpt #: 195 total cpu time spent up to now is 116.0 secs Computing kpt #: 196 total cpu time spent up to now is 116.6 secs Computing kpt #: 197 total cpu time spent up to now is 117.3 secs Computing kpt #: 198 total cpu time spent up to now is 118.0 secs Computing kpt #: 199 total cpu time spent up to now is 118.6 secs Computing kpt #: 200 total cpu time spent up to now is 119.3 secs Computing kpt #: 201 total cpu time spent up to now is 119.9 secs Computing kpt #: 202 total cpu time spent up to now is 120.5 secs Computing kpt #: 203 total cpu time spent up to now is 122.0 secs Computing kpt #: 204 total cpu time spent up to now is 123.0 secs Computing kpt #: 205 total cpu time spent up to now is 124.0 secs Computing kpt #: 206 total cpu time spent up to now is 124.8 secs Computing kpt #: 207 total cpu time spent up to now is 125.6 secs Computing kpt #: 208 total cpu time spent up to now is 126.4 secs Computing kpt #: 209 total cpu time spent up to now is 127.2 secs Computing kpt #: 210 total cpu time spent up to now is 128.0 secs Computing kpt #: 211 total cpu time spent up to now is 128.8 secs Computing kpt #: 212 total cpu time spent up to now is 129.5 secs Computing kpt #: 213 total cpu time spent up to now is 130.2 secs Computing kpt #: 214 total cpu time spent up to now is 130.9 secs Computing kpt #: 215 total cpu time spent up to now is 131.7 secs Computing kpt #: 216 total cpu time spent up to now is 132.7 secs Computing kpt #: 217 total cpu time spent up to now is 133.3 secs Computing kpt #: 218 total cpu time spent up to now is 134.0 secs Computing kpt #: 219 total cpu time spent up to now is 134.6 secs Computing kpt #: 220 total cpu time spent up to now is 135.1 secs Computing kpt #: 221 total cpu time spent up to now is 135.6 secs Computing kpt #: 222 total cpu time spent up to now is 136.1 secs Computing kpt #: 223 total cpu time spent up to now is 136.7 secs Computing kpt #: 224 total cpu time spent up to now is 137.2 secs Computing kpt #: 225 total cpu time spent up to now is 137.8 secs Computing kpt #: 226 total cpu time spent up to now is 138.3 secs Computing kpt #: 227 total cpu time spent up to now is 138.8 secs Computing kpt #: 228 total cpu time spent up to now is 139.4 secs Computing kpt #: 229 total cpu time spent up to now is 139.9 secs Computing kpt #: 230 total cpu time spent up to now is 140.4 secs Computing kpt #: 231 total cpu time spent up to now is 141.0 secs Computing kpt #: 232 total cpu time spent up to now is 141.5 secs Computing kpt #: 233 total cpu time spent up to now is 142.0 secs Computing kpt #: 234 total cpu time spent up to now is 142.6 secs Computing kpt #: 235 total cpu time spent up to now is 143.1 secs Computing kpt #: 236 total cpu time spent up to now is 143.7 secs Computing kpt #: 237 total cpu time spent up to now is 144.2 secs Computing kpt #: 238 total cpu time spent up to now is 144.8 secs Computing kpt #: 239 total cpu time spent up to now is 145.3 secs Computing kpt #: 240 total cpu time spent up to now is 145.9 secs Computing kpt #: 241 total cpu time spent up to now is 146.4 secs Computing kpt #: 242 total cpu time spent up to now is 146.9 secs Computing kpt #: 243 total cpu time spent up to now is 147.6 secs Computing kpt #: 244 total cpu time spent up to now is 148.1 secs Computing kpt #: 245 total cpu time spent up to now is 148.6 secs Computing kpt #: 246 total cpu time spent up to now is 149.5 secs Computing kpt #: 247 total cpu time spent up to now is 150.2 secs Computing kpt #: 248 total cpu time spent up to now is 150.9 secs Computing kpt #: 249 total cpu time spent up to now is 151.6 secs Computing kpt #: 250 total cpu time spent up to now is 152.3 secs Computing kpt #: 251 total cpu time spent up to now is 153.0 secs Computing kpt #: 252 total cpu time spent up to now is 153.8 secs Computing kpt #: 253 total cpu time spent up to now is 154.6 secs Computing kpt #: 254 total cpu time spent up to now is 155.4 secs Computing kpt #: 255 total cpu time spent up to now is 156.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.3 secs Computing kpt #: 257 total cpu time spent up to now is 160.0 secs Computing kpt #: 258 total cpu time spent up to now is 161.1 secs Computing kpt #: 259 total cpu time spent up to now is 161.8 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.6 secs Computing kpt #: 261 total cpu time spent up to now is 164.9 secs Computing kpt #: 262 total cpu time spent up to now is 165.9 secs Computing kpt #: 263 total cpu time spent up to now is 166.7 secs Computing kpt #: 264 total cpu time spent up to now is 167.9 secs Computing kpt #: 265 total cpu time spent up to now is 168.7 secs Computing kpt #: 266 total cpu time spent up to now is 169.4 secs Computing kpt #: 267 total cpu time spent up to now is 170.1 secs Computing kpt #: 268 total cpu time spent up to now is 170.8 secs Computing kpt #: 269 total cpu time spent up to now is 171.6 secs Computing kpt #: 270 total cpu time spent up to now is 172.3 secs Computing kpt #: 271 total cpu time spent up to now is 173.0 secs Computing kpt #: 272 total cpu time spent up to now is 173.7 secs Computing kpt #: 273 total cpu time spent up to now is 174.4 secs Computing kpt #: 274 total cpu time spent up to now is 175.0 secs Computing kpt #: 275 total cpu time spent up to now is 175.7 secs Computing kpt #: 276 total cpu time spent up to now is 176.3 secs Computing kpt #: 277 total cpu time spent up to now is 176.8 secs Computing kpt #: 278 total cpu time spent up to now is 177.4 secs Computing kpt #: 279 total cpu time spent up to now is 178.0 secs Computing kpt #: 280 total cpu time spent up to now is 178.6 secs Computing kpt #: 281 total cpu time spent up to now is 179.2 secs Computing kpt #: 282 total cpu time spent up to now is 179.8 secs Computing kpt #: 283 total cpu time spent up to now is 180.3 secs Computing kpt #: 284 total cpu time spent up to now is 180.9 secs Computing kpt #: 285 total cpu time spent up to now is 181.5 secs Computing kpt #: 286 total cpu time spent up to now is 182.1 secs Computing kpt #: 287 total cpu time spent up to now is 182.7 secs Computing kpt #: 288 total cpu time spent up to now is 183.3 secs Computing kpt #: 289 total cpu time spent up to now is 183.9 secs Computing kpt #: 290 total cpu time spent up to now is 184.5 secs Computing kpt #: 291 total cpu time spent up to now is 185.1 secs Computing kpt #: 292 total cpu time spent up to now is 185.7 secs Computing kpt #: 293 total cpu time spent up to now is 186.4 secs Computing kpt #: 294 total cpu time spent up to now is 186.9 secs Computing kpt #: 295 total cpu time spent up to now is 187.5 secs Computing kpt #: 296 total cpu time spent up to now is 188.1 secs Computing kpt #: 297 total cpu time spent up to now is 188.7 secs Computing kpt #: 298 total cpu time spent up to now is 189.2 secs Computing kpt #: 299 total cpu time spent up to now is 189.8 secs Computing kpt #: 300 total cpu time spent up to now is 190.4 secs Computing kpt #: 301 total cpu time spent up to now is 190.9 secs Computing kpt #: 302 total cpu time spent up to now is 191.5 secs Computing kpt #: 303 total cpu time spent up to now is 192.1 secs Computing kpt #: 304 total cpu time spent up to now is 192.7 secs Computing kpt #: 305 total cpu time spent up to now is 193.2 secs Computing kpt #: 306 total cpu time spent up to now is 193.8 secs Computing kpt #: 307 total cpu time spent up to now is 194.3 secs Computing kpt #: 308 total cpu time spent up to now is 194.9 secs Computing kpt #: 309 total cpu time spent up to now is 195.4 secs Computing kpt #: 310 total cpu time spent up to now is 196.0 secs Computing kpt #: 311 total cpu time spent up to now is 196.6 secs Computing kpt #: 312 total cpu time spent up to now is 197.2 secs Computing kpt #: 313 total cpu time spent up to now is 197.7 secs Computing kpt #: 314 total cpu time spent up to now is 198.3 secs Computing kpt #: 315 total cpu time spent up to now is 198.9 secs Computing kpt #: 316 total cpu time spent up to now is 199.5 secs Computing kpt #: 317 total cpu time spent up to now is 200.1 secs Computing kpt #: 318 total cpu time spent up to now is 200.6 secs Computing kpt #: 319 total cpu time spent up to now is 201.2 secs Computing kpt #: 320 total cpu time spent up to now is 201.8 secs Computing kpt #: 321 total cpu time spent up to now is 202.3 secs Computing kpt #: 322 total cpu time spent up to now is 202.9 secs Computing kpt #: 323 total cpu time spent up to now is 203.4 secs Computing kpt #: 324 total cpu time spent up to now is 204.0 secs Computing kpt #: 325 total cpu time spent up to now is 204.6 secs Computing kpt #: 326 total cpu time spent up to now is 205.2 secs Computing kpt #: 327 total cpu time spent up to now is 205.8 secs Computing kpt #: 328 total cpu time spent up to now is 206.4 secs Computing kpt #: 329 total cpu time spent up to now is 207.0 secs Computing kpt #: 330 total cpu time spent up to now is 207.7 secs Computing kpt #: 331 total cpu time spent up to now is 208.4 secs Computing kpt #: 332 total cpu time spent up to now is 209.0 secs Computing kpt #: 333 total cpu time spent up to now is 209.7 secs Computing kpt #: 334 total cpu time spent up to now is 210.3 secs Computing kpt #: 335 total cpu time spent up to now is 210.9 secs Computing kpt #: 336 total cpu time spent up to now is 211.5 secs Computing kpt #: 337 total cpu time spent up to now is 212.0 secs Computing kpt #: 338 total cpu time spent up to now is 212.9 secs Computing kpt #: 339 total cpu time spent up to now is 213.6 secs Computing kpt #: 340 total cpu time spent up to now is 214.3 secs Computing kpt #: 341 total cpu time spent up to now is 214.9 secs Computing kpt #: 342 total cpu time spent up to now is 215.6 secs Computing kpt #: 343 total cpu time spent up to now is 216.2 secs Computing kpt #: 344 total cpu time spent up to now is 216.9 secs Computing kpt #: 345 total cpu time spent up to now is 217.6 secs Computing kpt #: 346 total cpu time spent up to now is 218.3 secs Computing kpt #: 347 total cpu time spent up to now is 218.9 secs Computing kpt #: 348 total cpu time spent up to now is 219.6 secs Computing kpt #: 349 total cpu time spent up to now is 220.2 secs Computing kpt #: 350 total cpu time spent up to now is 220.9 secs Computing kpt #: 351 total cpu time spent up to now is 221.6 secs Computing kpt #: 352 total cpu time spent up to now is 222.3 secs Computing kpt #: 353 total cpu time spent up to now is 223.1 secs Computing kpt #: 354 total cpu time spent up to now is 223.6 secs Computing kpt #: 355 total cpu time spent up to now is 224.5 secs Computing kpt #: 356 total cpu time spent up to now is 225.9 secs Computing kpt #: 357 total cpu time spent up to now is 227.3 secs Computing kpt #: 358 total cpu time spent up to now is 228.7 secs Computing kpt #: 359 total cpu time spent up to now is 230.1 secs Computing kpt #: 360 total cpu time spent up to now is 231.3 secs Computing kpt #: 361 total cpu time spent up to now is 232.8 secs Computing kpt #: 362 total cpu time spent up to now is 233.8 secs Computing kpt #: 363 total cpu time spent up to now is 234.9 secs Computing kpt #: 364 total cpu time spent up to now is 235.7 secs Computing kpt #: 365 total cpu time spent up to now is 236.7 secs Computing kpt #: 366 total cpu time spent up to now is 237.5 secs Computing kpt #: 367 total cpu time spent up to now is 238.5 secs Computing kpt #: 368 total cpu time spent up to now is 239.4 secs Computing kpt #: 369 total cpu time spent up to now is 240.2 secs Computing kpt #: 370 total cpu time spent up to now is 241.0 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.9 secs Computing kpt #: 372 total cpu time spent up to now is 243.5 secs ethr = 2.94E-08, avg # of iterations = 22.3 total cpu time spent up to now is 243.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7327 PWs) bands (ev): -10.6024 -10.6024 -10.5767 -10.5767 -2.9119 -2.9119 -2.7741 -2.7741 -1.7051 -1.7051 -1.5403 -1.5403 -1.3458 -1.3458 -1.3391 -1.3391 -1.0093 -1.0093 -1.0014 -1.0014 -0.9680 -0.9680 -0.8246 -0.8246 -0.7085 -0.7085 -0.6465 -0.6465 -0.6457 -0.6457 -0.3416 -0.3416 0.5454 0.5454 0.7148 0.7148 3.6885 3.6885 4.2550 4.2550 4.2552 4.2552 k = 0.0100-0.0000-0.0000 ( 7335 PWs) bands (ev): -10.6011 -10.6011 -10.5754 -10.5754 -2.9106 -2.9106 -2.7728 -2.7728 -1.7042 -1.7042 -1.5397 -1.5397 -1.3458 -1.3458 -1.3389 -1.3389 -1.0099 -1.0099 -1.0023 -1.0023 -0.9678 -0.9678 -0.8247 -0.8247 -0.7087 -0.7087 -0.6498 -0.6498 -0.6421 -0.6421 -0.3409 -0.3409 0.5471 0.5471 0.7165 0.7165 3.6891 3.6891 4.2369 4.2369 4.2448 4.2448 k = 0.0200-0.0000-0.0000 ( 7331 PWs) bands (ev): -10.5972 -10.5972 -10.5715 -10.5715 -2.9065 -2.9065 -2.7688 -2.7688 -1.7016 -1.7016 -1.5376 -1.5376 -1.3456 -1.3456 -1.3384 -1.3384 -1.0115 -1.0115 -1.0046 -1.0046 -0.9671 -0.9671 -0.8249 -0.8249 -0.7091 -0.7091 -0.6533 -0.6533 -0.6377 -0.6377 -0.3388 -0.3388 0.5524 0.5524 0.7215 0.7215 3.6903 3.6903 4.1910 4.1910 4.2068 4.2068 k = 0.0300-0.0000-0.0000 ( 7321 PWs) bands (ev): -10.5907 -10.5907 -10.5650 -10.5650 -2.8998 -2.8998 -2.7623 -2.7623 -1.6971 -1.6971 -1.5342 -1.5342 -1.3453 -1.3453 -1.3375 -1.3375 -1.0142 -1.0142 -1.0082 -1.0082 -0.9662 -0.9662 -0.8253 -0.8253 -0.7097 -0.7097 -0.6568 -0.6568 -0.6329 -0.6329 -0.3354 -0.3354 0.5611 0.5611 0.7299 0.7299 3.6910 3.6910 4.1193 4.1193 4.1435 4.1435 k = 0.0400-0.0000-0.0000 ( 7319 PWs) bands (ev): -10.5816 -10.5816 -10.5559 -10.5559 -2.8904 -2.8904 -2.7532 -2.7532 -1.6909 -1.6909 -1.5295 -1.5295 -1.3448 -1.3448 -1.3366 -1.3366 -1.0181 -1.0181 -1.0128 -1.0128 -0.9652 -0.9652 -0.8259 -0.8259 -0.7105 -0.7105 -0.6603 -0.6603 -0.6274 -0.6274 -0.3306 -0.3306 0.5734 0.5734 0.7416 0.7416 3.6878 3.6878 4.0245 4.0245 4.0606 4.0606 k = 0.0500-0.0000-0.0000 ( 7321 PWs) bands (ev): -10.5699 -10.5699 -10.5442 -10.5442 -2.8784 -2.8784 -2.7415 -2.7415 -1.6830 -1.6830 -1.5235 -1.5235 -1.3440 -1.3440 -1.3356 -1.3356 -1.0229 -1.0229 -1.0185 -1.0185 -0.9641 -0.9641 -0.8267 -0.8267 -0.7116 -0.7116 -0.6637 -0.6637 -0.6214 -0.6214 -0.3244 -0.3244 0.5890 0.5890 0.7566 0.7566 3.6714 3.6714 3.9096 3.9096 3.9701 3.9701 k = 0.0600-0.0000-0.0000 ( 7329 PWs) bands (ev): -10.5556 -10.5556 -10.5300 -10.5300 -2.8637 -2.8637 -2.7273 -2.7273 -1.6735 -1.6735 -1.5163 -1.5163 -1.3429 -1.3429 -1.3347 -1.3347 -1.0287 -1.0287 -1.0250 -1.0250 -0.9631 -0.9631 -0.8279 -0.8279 -0.7129 -0.7129 -0.6670 -0.6670 -0.6147 -0.6147 -0.3169 -0.3169 0.6080 0.6080 0.7748 0.7748 3.6207 3.6207 3.7766 3.7766 3.8975 3.8975 k = 0.0700-0.0000-0.0000 ( 7341 PWs) bands (ev): -10.5388 -10.5388 -10.5132 -10.5132 -2.8465 -2.8465 -2.7106 -2.7106 -1.6625 -1.6625 -1.5078 -1.5078 -1.3415 -1.3415 -1.3341 -1.3341 -1.0353 -1.0353 -1.0321 -1.0321 -0.9622 -0.9622 -0.8293 -0.8293 -0.7145 -0.7145 -0.6700 -0.6700 -0.6072 -0.6072 -0.3082 -0.3082 0.6302 0.6302 0.7963 0.7963 3.5174 3.5174 3.6276 3.6276 3.8650 3.8650 k = 0.0800-0.0000-0.0000 ( 7341 PWs) bands (ev): -10.5194 -10.5194 -10.4938 -10.4938 -2.8267 -2.8267 -2.6914 -2.6914 -1.6499 -1.6499 -1.4983 -1.4983 -1.3399 -1.3399 -1.3337 -1.3337 -1.0431 -1.0431 -1.0395 -1.0395 -0.9615 -0.9615 -0.8310 -0.8310 -0.7166 -0.7166 -0.6726 -0.6726 -0.5989 -0.5989 -0.2981 -0.2981 0.6557 0.6557 0.8209 0.8209 3.3747 3.3747 3.4651 3.4651 3.8630 3.8630 k = 0.0900-0.0000-0.0000 ( 7345 PWs) bands (ev): -10.4974 -10.4974 -10.4719 -10.4719 -2.8044 -2.8044 -2.6699 -2.6699 -1.6359 -1.6359 -1.4877 -1.4877 -1.3388 -1.3388 -1.3331 -1.3331 -1.0521 -1.0521 -1.0465 -1.0465 -0.9609 -0.9609 -0.8329 -0.8329 -0.7193 -0.7193 -0.6744 -0.6744 -0.5898 -0.5898 -0.2867 -0.2867 0.6843 0.6843 0.8485 0.8485 3.2101 3.2101 3.2919 3.2919 3.8762 3.8762 k = 0.1000-0.0000-0.0000 ( 7347 PWs) bands (ev): -10.4730 -10.4730 -10.4475 -10.4475 -2.7797 -2.7797 -2.6460 -2.6460 -1.6206 -1.6206 -1.4763 -1.4763 -1.3393 -1.3393 -1.3313 -1.3313 -1.0625 -1.0625 -1.0530 -1.0530 -0.9607 -0.9607 -0.8349 -0.8349 -0.7228 -0.7228 -0.6754 -0.6754 -0.5798 -0.5798 -0.2740 -0.2740 0.7159 0.7159 0.8792 0.8792 3.0330 3.0330 3.1103 3.1103 3.8976 3.8976 k = 0.1100-0.0000-0.0000 ( 7345 PWs) bands (ev): -10.4460 -10.4460 -10.4206 -10.4206 -2.7526 -2.7526 -2.6199 -2.6199 -1.6042 -1.6042 -1.4640 -1.4640 -1.3419 -1.3419 -1.3282 -1.3282 -1.0740 -1.0740 -1.0588 -1.0588 -0.9608 -0.9608 -0.8370 -0.8370 -0.7269 -0.7269 -0.6755 -0.6755 -0.5687 -0.5687 -0.2600 -0.2600 0.7504 0.7504 0.9128 0.9128 2.8479 2.8479 2.9226 2.9226 3.9245 3.9245 k = 0.1200-0.0000-0.0000 ( 7345 PWs) bands (ev): -10.4166 -10.4166 -10.3912 -10.3912 -2.7232 -2.7232 -2.5916 -2.5916 -1.5869 -1.5869 -1.4510 -1.4510 -1.3464 -1.3464 -1.3241 -1.3241 -1.0868 -1.0868 -1.0638 -1.0638 -0.9614 -0.9614 -0.8391 -0.8391 -0.7317 -0.7317 -0.6748 -0.6748 -0.5567 -0.5567 -0.2447 -0.2447 0.7877 0.7877 0.9492 0.9492 2.6580 2.6580 2.7307 2.7307 3.9556 3.9556 k = 0.1300-0.0000-0.0000 ( 7347 PWs) bands (ev): -10.3847 -10.3847 -10.3593 -10.3593 -2.6916 -2.6916 -2.5613 -2.5613 -1.5687 -1.5687 -1.4375 -1.4375 -1.3529 -1.3529 -1.3191 -1.3191 -1.1009 -1.1009 -1.0677 -1.0677 -0.9625 -0.9625 -0.8411 -0.8411 -0.7369 -0.7369 -0.6733 -0.6733 -0.5435 -0.5435 -0.2280 -0.2280 0.8277 0.8277 0.9883 0.9883 2.4653 2.4653 2.5363 2.5363 3.9902 3.9902 k = 0.1400-0.0000-0.0000 ( 7347 PWs) bands (ev): -10.3504 -10.3504 -10.3251 -10.3251 -2.6579 -2.6579 -2.5291 -2.5291 -1.5501 -1.5501 -1.4237 -1.4237 -1.3615 -1.3615 -1.3134 -1.3134 -1.1162 -1.1162 -1.0703 -1.0703 -0.9643 -0.9643 -0.8428 -0.8428 -0.7424 -0.7424 -0.6712 -0.6712 -0.5290 -0.5290 -0.2101 -0.2101 0.8700 0.8700 1.0299 1.0299 2.2719 2.2719 2.3409 2.3409 4.0281 4.0281 k = 0.1500-0.0000-0.0000 ( 7337 PWs) bands (ev): -10.3137 -10.3137 -10.2885 -10.2885 -2.6223 -2.6223 -2.4951 -2.4951 -1.5312 -1.5312 -1.4098 -1.4098 -1.3724 -1.3724 -1.3067 -1.3067 -1.1329 -1.1329 -1.0713 -1.0713 -0.9668 -0.9668 -0.8444 -0.8444 -0.7480 -0.7480 -0.6686 -0.6686 -0.5132 -0.5132 -0.1908 -0.1908 0.9143 0.9143 1.0738 1.0738 2.0794 2.0794 2.1460 2.1460 4.0688 4.0688 k = 0.1600-0.0000-0.0000 ( 7345 PWs) bands (ev): -10.2747 -10.2747 -10.2495 -10.2495 -2.5849 -2.5849 -2.4596 -2.4596 -1.5127 -1.5127 -1.3963 -1.3963 -1.3855 -1.3855 -1.2993 -1.2993 -1.1511 -1.1511 -1.0707 -1.0707 -0.9699 -0.9699 -0.8458 -0.8458 -0.7535 -0.7535 -0.6657 -0.6657 -0.4960 -0.4960 -0.1702 -0.1702 0.9601 0.9601 1.1193 1.1193 1.8900 1.8900 1.9534 1.9534 4.1123 4.1123 k = 0.1700-0.0000-0.0000 ( 7347 PWs) bands (ev): -10.2333 -10.2333 -10.2083 -10.2083 -2.5458 -2.5458 -2.4227 -2.4227 -1.4955 -1.4955 -1.4015 -1.4015 -1.3820 -1.3820 -1.2913 -1.2913 -1.1703 -1.1703 -1.0685 -1.0685 -0.9737 -0.9737 -0.8471 -0.8471 -0.7587 -0.7587 -0.6625 -0.6625 -0.4773 -0.4773 -0.1483 -0.1483 1.0057 1.0057 1.1653 1.1653 1.7062 1.7062 1.7656 1.7656 4.1584 4.1584 k = 0.1800-0.0000-0.0000 ( 7351 PWs) bands (ev): -10.1897 -10.1897 -10.1648 -10.1648 -2.5053 -2.5053 -2.3846 -2.3846 -1.4823 -1.4823 -1.4164 -1.4164 -1.3693 -1.3693 -1.2839 -1.2839 -1.1897 -1.1897 -1.0647 -1.0647 -0.9781 -0.9781 -0.8484 -0.8484 -0.7633 -0.7633 -0.6591 -0.6591 -0.4568 -0.4568 -0.1253 -0.1253 1.0469 1.0469 1.2082 1.2082 1.5314 1.5314 1.5890 1.5890 4.2069 4.2069 k = 0.1900-0.0000-0.0000 ( 7345 PWs) bands (ev): -10.1439 -10.1439 -10.1191 -10.1191 -2.4637 -2.4637 -2.3456 -2.3456 -1.4814 -1.4814 -1.4236 -1.4236 -1.3577 -1.3577 -1.2800 -1.2800 -1.2061 -1.2061 -1.0592 -1.0592 -0.9830 -0.9830 -0.8499 -0.8499 -0.7671 -0.7671 -0.6555 -0.6555 -0.4347 -0.4347 -0.1011 -0.1011 1.0682 1.0682 1.2357 1.2357 1.3679 1.3679 1.4521 1.4521 4.2576 4.2576 k = 0.2000-0.0000-0.0000 ( 7337 PWs) bands (ev): -10.0960 -10.0960 -10.0713 -10.0713 -2.4212 -2.4212 -2.3061 -2.3061 -1.4994 -1.4994 -1.4172 -1.4172 -1.3485 -1.3485 -1.2854 -1.2854 -1.2127 -1.2127 -1.0521 -1.0521 -0.9883 -0.9883 -0.8518 -0.8518 -0.7700 -0.7700 -0.6520 -0.6520 -0.4108 -0.4108 -0.0761 -0.0761 1.0242 1.0242 1.1794 1.1794 1.2728 1.2728 1.4139 1.4139 4.3105 4.3105 k = 0.2100-0.0000-0.0000 ( 7329 PWs) bands (ev): -10.0460 -10.0460 -10.0214 -10.0214 -2.3782 -2.3782 -2.2664 -2.2664 -1.5297 -1.5297 -1.4053 -1.4053 -1.3469 -1.3469 -1.2974 -1.2974 -1.2070 -1.2070 -1.0436 -1.0436 -0.9937 -0.9937 -0.8542 -0.8542 -0.7719 -0.7719 -0.6484 -0.6484 -0.3850 -0.3850 -0.0506 -0.0506 0.9088 0.9088 1.0219 1.0219 1.3006 1.3006 1.4463 1.4463 4.3653 4.3653 k = 0.2200-0.0000-0.0000 ( 7333 PWs) bands (ev): -9.9940 -9.9940 -9.9696 -9.9696 -2.3352 -2.3352 -2.2269 -2.2269 -1.5678 -1.5678 -1.3984 -1.3984 -1.3596 -1.3596 -1.2997 -1.2997 -1.1940 -1.1940 -1.0336 -1.0336 -0.9990 -0.9990 -0.8574 -0.8574 -0.7728 -0.7728 -0.6450 -0.6450 -0.3575 -0.3575 -0.0253 -0.0253 0.7724 0.7724 0.8648 0.8648 1.3522 1.3522 1.4998 1.4998 4.4219 4.4219 k = 0.2300-0.0000-0.0000 ( 7331 PWs) bands (ev): -9.9401 -9.9401 -9.9158 -9.9158 -2.2928 -2.2928 -2.1882 -2.1882 -1.6131 -1.6131 -1.4203 -1.4203 -1.3613 -1.3613 -1.2920 -1.2920 -1.1775 -1.1775 -1.0229 -1.0229 -1.0034 -1.0034 -0.8612 -0.8612 -0.7726 -0.7726 -0.6418 -0.6418 -0.3283 -0.3283 -0.0013 -0.0013 0.6383 0.6383 0.7174 0.7174 1.4124 1.4124 1.5609 1.5609 4.4800 4.4800 k = 0.2400-0.0000-0.0000 ( 7333 PWs) bands (ev): -9.8843 -9.8843 -9.8603 -9.8603 -2.2518 -2.2518 -2.1507 -2.1507 -1.6655 -1.6655 -1.4661 -1.4661 -1.3501 -1.3501 -1.2807 -1.2807 -1.1591 -1.1591 -1.0156 -1.0156 -1.0023 -1.0023 -0.8655 -0.8655 -0.7714 -0.7714 -0.6390 -0.6390 -0.2978 -0.2978 0.0193 0.0193 0.5144 0.5144 0.5838 0.5838 1.4774 1.4774 1.6264 1.6264 4.5395 4.5395 k = 0.2500-0.0000-0.0000 ( 7333 PWs) bands (ev): -9.8269 -9.8269 -9.8030 -9.8030 -2.2136 -2.2136 -2.1152 -2.1152 -1.7254 -1.7254 -1.5218 -1.5218 -1.3370 -1.3370 -1.2679 -1.2679 -1.1397 -1.1397 -1.0166 -1.0166 -0.9904 -0.9904 -0.8702 -0.8702 -0.7694 -0.7694 -0.6367 -0.6367 -0.2665 -0.2665 0.0325 0.0325 0.4033 0.4033 0.4710 0.4710 1.5457 1.5457 1.6951 1.6951 4.6001 4.6001 k = 0.2600-0.0000-0.0000 ( 7339 PWs) bands (ev): -9.7678 -9.7678 -9.7442 -9.7442 -2.1804 -2.1804 -2.0825 -2.0825 -1.7929 -1.7929 -1.5834 -1.5834 -1.3241 -1.3241 -1.2544 -1.2544 -1.1203 -1.1203 -1.0184 -1.0184 -0.9746 -0.9746 -0.8751 -0.8751 -0.7668 -0.7668 -0.6349 -0.6349 -0.2357 -0.2357 0.0327 0.0327 0.3033 0.3033 0.3908 0.3908 1.6166 1.6166 1.7664 1.7664 4.6616 4.6616 k = 0.2700-0.0000-0.0000 ( 7331 PWs) bands (ev): -9.7073 -9.7073 -9.6840 -9.6840 -2.1562 -2.1562 -2.0538 -2.0538 -1.8667 -1.8667 -1.6473 -1.6473 -1.3118 -1.3118 -1.2402 -1.2402 -1.1019 -1.1019 -1.0175 -1.0175 -0.9572 -0.9572 -0.8798 -0.8798 -0.7637 -0.7637 -0.6340 -0.6340 -0.2080 -0.2080 0.0169 0.0169 0.2142 0.2142 0.3508 0.3508 1.6897 1.6897 1.8398 1.8398 4.7235 4.7235 k = 0.2800-0.0000-0.0000 ( 7323 PWs) bands (ev): -9.6455 -9.6455 -9.6224 -9.6224 -2.1478 -2.1478 -2.0368 -2.0368 -1.9390 -1.9390 -1.7071 -1.7071 -1.3003 -1.3003 -1.2260 -1.2260 -1.0866 -1.0866 -1.0116 -1.0116 -0.9391 -0.9391 -0.8837 -0.8837 -0.7602 -0.7602 -0.6339 -0.6339 -0.1884 -0.1884 -0.0078 -0.0078 0.1412 0.1412 0.3448 0.3448 1.7646 1.7646 1.9152 1.9152 4.7857 4.7857 k = 0.2900-0.0000-0.0000 ( 7325 PWs) bands (ev): -9.5825 -9.5825 -9.5597 -9.5597 -2.1645 -2.1645 -2.0755 -2.0755 -1.9641 -1.9641 -1.7543 -1.7543 -1.2899 -1.2899 -1.2121 -1.2121 -1.0763 -1.0763 -0.9983 -0.9983 -0.9225 -0.9225 -0.8846 -0.8846 -0.7565 -0.7565 -0.6348 -0.6348 -0.1839 -0.1839 -0.0305 -0.0305 0.0928 0.0928 0.3602 0.3602 1.8411 1.8411 1.9921 1.9921 4.8475 4.8475 k = 0.3000-0.0000-0.0000 ( 7311 PWs) bands (ev): -9.5185 -9.5185 -9.4961 -9.4961 -2.2125 -2.2125 -2.1656 -2.1656 -1.9453 -1.9453 -1.7826 -1.7826 -1.2803 -1.2803 -1.1992 -1.1992 -1.0703 -1.0703 -0.9778 -0.9778 -0.9131 -0.9131 -0.8768 -0.8768 -0.7524 -0.7524 -0.6367 -0.6367 -0.1950 -0.1950 -0.0521 -0.0521 0.0791 0.0791 0.3875 0.3875 1.9189 1.9189 2.0703 2.0703 4.9087 4.9087 k = 0.3100-0.0000-0.0000 ( 7311 PWs) bands (ev): -9.4537 -9.4537 -9.4318 -9.4318 -2.2893 -2.2893 -2.2686 -2.2686 -1.9197 -1.9197 -1.7931 -1.7931 -1.2719 -1.2719 -1.1880 -1.1880 -1.0663 -1.0663 -0.9526 -0.9526 -0.9122 -0.9122 -0.8596 -0.8596 -0.7481 -0.7481 -0.6395 -0.6395 -0.2132 -0.2132 -0.0744 -0.0744 0.0967 0.0967 0.4214 0.4214 1.9976 1.9976 2.1495 2.1495 4.9686 4.9686 k = 0.3200-0.0000-0.0000 ( 7313 PWs) bands (ev): -9.3885 -9.3885 -9.3670 -9.3670 -2.3880 -2.3880 -2.3758 -2.3758 -1.8941 -1.8941 -1.7925 -1.7925 -1.2644 -1.2644 -1.1789 -1.1789 -1.0625 -1.0625 -0.9279 -0.9279 -0.9109 -0.9109 -0.8388 -0.8388 -0.7432 -0.7432 -0.6430 -0.6430 -0.2302 -0.2302 -0.0908 -0.0908 0.1317 0.1317 0.4593 0.4593 2.0769 2.0769 2.2292 2.2292 5.0266 5.0266 k = 0.3300-0.0000-0.0000 ( 7317 PWs) bands (ev): -9.3229 -9.3229 -9.3019 -9.3019 -2.4996 -2.4996 -2.4861 -2.4861 -1.8699 -1.8699 -1.7864 -1.7864 -1.2578 -1.2578 -1.1726 -1.1726 -1.0578 -1.0578 -0.9231 -0.9231 -0.8890 -0.8890 -0.8179 -0.8179 -0.7375 -0.7375 -0.6468 -0.6468 -0.2417 -0.2417 -0.0974 -0.0974 0.1754 0.1754 0.4996 0.4996 2.1563 2.1563 2.3089 2.3089 5.0821 5.0821 k = 0.3400-0.0000-0.0000 ( 7325 PWs) bands (ev): -9.2573 -9.2573 -9.2369 -9.2369 -2.6157 -2.6157 -2.6005 -2.6005 -1.8477 -1.8477 -1.7780 -1.7780 -1.2520 -1.2520 -1.1688 -1.1688 -1.0520 -1.0520 -0.9261 -0.9261 -0.8595 -0.8595 -0.7987 -0.7987 -0.7303 -0.7303 -0.6504 -0.6504 -0.2458 -0.2458 -0.0937 -0.0937 0.2240 0.2240 0.5413 0.5413 2.2352 2.2352 2.3880 2.3880 5.1340 5.1340 k = 0.3500-0.0000-0.0000 ( 7321 PWs) bands (ev): -9.1920 -9.1920 -9.1722 -9.1722 -2.7332 -2.7332 -2.7175 -2.7175 -1.8278 -1.8278 -1.7692 -1.7692 -1.2471 -1.2471 -1.1673 -1.1673 -1.0453 -1.0453 -0.9297 -0.9297 -0.8307 -0.8307 -0.7827 -0.7827 -0.7209 -0.7209 -0.6535 -0.6535 -0.2413 -0.2413 -0.0802 -0.0802 0.2754 0.2754 0.5836 0.5836 2.3129 2.3129 2.4658 2.4658 5.1783 5.1783 k = 0.3600-0.0000-0.0000 ( 7313 PWs) bands (ev): -9.1274 -9.1274 -9.1083 -9.1083 -2.8501 -2.8501 -2.8348 -2.8348 -1.8103 -1.8103 -1.7609 -1.7609 -1.2428 -1.2428 -1.1675 -1.1675 -1.0379 -1.0379 -0.9332 -0.9332 -0.8047 -0.8047 -0.7707 -0.7707 -0.7088 -0.7088 -0.6555 -0.6555 -0.2277 -0.2277 -0.0581 -0.0581 0.3287 0.3287 0.6261 0.6261 2.3887 2.3887 2.5412 2.5412 5.1107 5.1107 k = 0.3700-0.0000-0.0000 ( 7311 PWs) bands (ev): -9.0638 -9.0638 -9.0455 -9.0455 -2.9652 -2.9652 -2.9507 -2.9507 -1.7951 -1.7951 -1.7533 -1.7533 -1.2391 -1.2391 -1.1691 -1.1691 -1.0304 -1.0304 -0.9365 -0.9365 -0.7828 -0.7828 -0.7625 -0.7625 -0.6950 -0.6950 -0.6561 -0.6561 -0.2051 -0.2051 -0.0287 -0.0287 0.3831 0.3831 0.6680 0.6680 2.4616 2.4616 2.6131 2.6131 4.9866 4.9866 k = 0.3800-0.0000-0.0000 ( 7287 PWs) bands (ev): -9.0017 -9.0017 -8.9843 -8.9843 -3.0772 -3.0772 -3.0636 -3.0636 -1.7819 -1.7819 -1.7466 -1.7466 -1.2358 -1.2358 -1.1715 -1.1715 -1.0229 -1.0229 -0.9394 -0.9394 -0.7656 -0.7656 -0.7567 -0.7567 -0.6810 -0.6810 -0.6550 -0.6550 -0.1738 -0.1738 0.0066 0.0066 0.4381 0.4381 0.7091 0.7091 2.5303 2.5303 2.6801 2.6801 4.8733 4.8733 k = 0.3900-0.0000-0.0000 ( 7285 PWs) bands (ev): -8.9416 -8.9416 -8.9250 -8.9250 -3.1850 -3.1850 -3.1725 -3.1725 -1.7707 -1.7707 -1.7409 -1.7409 -1.2330 -1.2330 -1.1745 -1.1745 -1.0157 -1.0157 -0.9421 -0.9421 -0.7535 -0.7535 -0.7522 -0.7522 -0.6678 -0.6678 -0.6522 -0.6522 -0.1350 -0.1350 0.0462 0.0462 0.4930 0.4930 0.7488 0.7488 2.5936 2.5936 2.7406 2.7406 4.7742 4.7742 k = 0.4000-0.0000-0.0000 ( 7271 PWs) bands (ev): -8.8838 -8.8838 -8.8683 -8.8683 -3.2875 -3.2875 -3.2760 -3.2760 -1.7611 -1.7611 -1.7361 -1.7361 -1.2306 -1.2306 -1.1779 -1.1779 -1.0088 -1.0088 -0.9445 -0.9445 -0.7495 -0.7495 -0.7447 -0.7447 -0.6561 -0.6561 -0.6481 -0.6481 -0.0899 -0.0899 0.0886 0.0886 0.5473 0.5473 0.7866 0.7866 2.6499 2.6499 2.7927 2.7927 4.6915 4.6915 k = 0.4100-0.0000-0.0000 ( 7267 PWs) bands (ev): -8.8290 -8.8290 -8.8146 -8.8146 -3.3838 -3.3838 -3.3733 -3.3733 -1.7531 -1.7531 -1.7322 -1.7322 -1.2284 -1.2284 -1.1814 -1.1814 -1.0025 -1.0025 -0.9467 -0.9467 -0.7470 -0.7470 -0.7393 -0.7393 -0.6463 -0.6463 -0.6430 -0.6430 -0.0404 -0.0404 0.1322 0.1322 0.6007 0.6007 0.8220 0.8220 2.6979 2.6979 2.8347 2.8347 4.6275 4.6275 k = 0.4200-0.0000-0.0000 ( 7281 PWs) bands (ev): -8.7776 -8.7776 -8.7645 -8.7645 -3.4729 -3.4729 -3.4634 -3.4634 -1.7464 -1.7464 -1.7290 -1.7290 -1.2264 -1.2264 -1.1851 -1.1851 -0.9967 -0.9967 -0.9488 -0.9488 -0.7450 -0.7450 -0.7362 -0.7362 -0.6382 -0.6382 -0.6376 -0.6376 0.0118 0.0118 0.1752 0.1752 0.6527 0.6527 0.8545 0.8545 2.7364 2.7364 2.8653 2.8653 4.5835 4.5835 k = 0.4300-0.0000-0.0000 ( 7283 PWs) bands (ev): -8.7304 -8.7304 -8.7186 -8.7186 -3.5538 -3.5538 -3.5453 -3.5453 -1.7408 -1.7408 -1.7265 -1.7265 -1.2245 -1.2245 -1.1888 -1.1888 -0.9914 -0.9914 -0.9508 -0.9508 -0.7432 -0.7432 -0.7344 -0.7344 -0.6327 -0.6327 -0.6312 -0.6312 0.0649 0.0649 0.2162 0.2162 0.7026 0.7026 0.8836 0.8836 2.7649 2.7649 2.8839 2.8839 4.5600 4.5600 k = 0.4400-0.0000-0.0000 ( 7281 PWs) bands (ev): -8.6878 -8.6878 -8.6774 -8.6774 -3.6258 -3.6258 -3.6184 -3.6184 -1.7362 -1.7362 -1.7245 -1.7245 -1.2227 -1.2227 -1.1923 -1.1923 -0.9865 -0.9865 -0.9527 -0.9527 -0.7416 -0.7416 -0.7335 -0.7335 -0.6280 -0.6280 -0.6258 -0.6258 0.1173 0.1173 0.2536 0.2536 0.7499 0.7499 0.9087 0.9087 2.7840 2.7840 2.8909 2.8909 4.5562 4.5562 k = 0.4500-0.0000-0.0000 ( 7276 PWs) bands (ev): -8.6504 -8.6504 -8.6416 -8.6416 -3.6881 -3.6881 -3.6818 -3.6818 -1.7324 -1.7324 -1.7231 -1.7231 -1.2208 -1.2208 -1.1958 -1.1958 -0.9820 -0.9820 -0.9546 -0.9546 -0.7402 -0.7402 -0.7332 -0.7332 -0.6238 -0.6238 -0.6216 -0.6216 0.1671 0.1671 0.2858 0.2858 0.7940 0.7940 0.9291 0.9291 2.7950 2.7950 2.8880 2.8880 4.5695 4.5695 k = 0.4600-0.0000-0.0000 ( 7284 PWs) bands (ev): -8.6188 -8.6188 -8.6116 -8.6116 -3.7400 -3.7400 -3.7349 -3.7349 -1.7294 -1.7294 -1.7221 -1.7221 -1.2190 -1.2190 -1.1990 -1.1990 -0.9780 -0.9780 -0.9565 -0.9565 -0.7390 -0.7390 -0.7332 -0.7332 -0.6204 -0.6204 -0.6183 -0.6183 0.2131 0.2131 0.3115 0.3115 0.8343 0.8343 0.9444 0.9444 2.8004 2.8004 2.8776 2.8776 4.5959 4.5959 k = 0.4700-0.0000-0.0000 ( 7282 PWs) bands (ev): -8.5934 -8.5934 -8.5879 -8.5879 -3.7809 -3.7809 -3.7770 -3.7770 -1.7269 -1.7269 -1.7216 -1.7216 -1.2171 -1.2171 -1.2021 -1.2021 -0.9743 -0.9743 -0.9585 -0.9585 -0.7379 -0.7379 -0.7335 -0.7335 -0.6176 -0.6176 -0.6159 -0.6159 0.2536 0.2536 0.3296 0.3296 0.8699 0.8699 0.9538 0.9538 2.8031 2.8031 2.8628 2.8628 4.6294 4.6294 k = 0.4800-0.0000-0.0000 ( 7282 PWs) bands (ev): -8.5747 -8.5747 -8.5710 -8.5710 -3.8103 -3.8103 -3.8077 -3.8077 -1.7250 -1.7250 -1.7215 -1.7215 -1.2150 -1.2150 -1.2051 -1.2051 -0.9710 -0.9710 -0.9606 -0.9606 -0.7369 -0.7369 -0.7339 -0.7339 -0.6155 -0.6155 -0.6143 -0.6143 0.2875 0.2875 0.3393 0.3393 0.9002 0.9002 0.9567 0.9567 2.8058 2.8058 2.8465 2.8465 4.6630 4.6630 k = 0.4900-0.0000-0.0000 ( 7278 PWs) bands (ev): -8.5629 -8.5629 -8.5611 -8.5611 -3.8278 -3.8278 -3.8265 -3.8265 -1.7235 -1.7235 -1.7217 -1.7217 -1.2127 -1.2127 -1.2078 -1.2078 -0.9680 -0.9680 -0.9628 -0.9628 -0.7360 -0.7360 -0.7345 -0.7345 -0.6141 -0.6141 -0.6135 -0.6135 0.3136 0.3136 0.3399 0.3399 0.9244 0.9244 0.9529 0.9529 2.8107 2.8107 2.8314 2.8314 4.6886 4.6886 k = 0.5000-0.0000-0.0000 ( 7296 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7225 -1.7225 -1.2104 -1.2104 -1.2104 -1.2104 -0.9653 -0.9653 -0.9653 -0.9653 -0.7352 -0.7352 -0.7352 -0.7352 -0.6135 -0.6135 -0.6135 -0.6135 0.3313 0.3313 0.3313 0.3313 0.9421 0.9421 0.9421 0.9421 2.8191 2.8191 2.8191 2.8191 4.6993 4.6993 k = 0.5000-0.0000-0.0000 ( 7296 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7225 -1.7225 -1.2104 -1.2104 -1.2104 -1.2104 -0.9653 -0.9653 -0.9653 -0.9653 -0.7352 -0.7352 -0.7352 -0.7352 -0.6135 -0.6135 -0.6135 -0.6135 0.3313 0.3313 0.3313 0.3313 0.9421 0.9421 0.9421 0.9421 2.8191 2.8191 2.8191 2.8191 4.6993 4.6993 k = 0.5000 0.0099-0.0000 ( 7268 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8331 -3.8331 -3.8331 -3.8331 -1.7222 -1.7222 -1.7222 -1.7222 -1.2104 -1.2104 -1.2104 -1.2104 -0.9653 -0.9653 -0.9653 -0.9653 -0.7352 -0.7352 -0.7352 -0.7352 -0.6136 -0.6136 -0.6136 -0.6136 0.3304 0.3304 0.3304 0.3304 0.9420 0.9420 0.9420 0.9420 2.8171 2.8171 2.8171 2.8171 4.7026 4.7026 k = 0.5000 0.0198-0.0000 ( 7274 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8328 -3.8328 -3.8328 -3.8328 -1.7216 -1.7216 -1.7216 -1.7216 -1.2103 -1.2103 -1.2103 -1.2103 -0.9654 -0.9654 -0.9654 -0.9654 -0.7353 -0.7353 -0.7353 -0.7353 -0.6140 -0.6140 -0.6140 -0.6140 0.3278 0.3278 0.3278 0.3278 0.9415 0.9415 0.9415 0.9415 2.8109 2.8109 2.8109 2.8109 4.7127 4.7127 k = 0.5000 0.0297-0.0000 ( 7274 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8324 -3.8324 -3.8324 -3.8324 -1.7206 -1.7206 -1.7206 -1.7206 -1.2103 -1.2103 -1.2103 -1.2103 -0.9654 -0.9654 -0.9654 -0.9654 -0.7354 -0.7354 -0.7354 -0.7354 -0.6146 -0.6146 -0.6146 -0.6146 0.3235 0.3235 0.3235 0.3235 0.9408 0.9408 0.9408 0.9408 2.8009 2.8009 2.8009 2.8009 4.7293 4.7293 k = 0.5000 0.0397-0.0000 ( 7278 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8317 -3.8317 -3.8317 -3.8317 -1.7192 -1.7192 -1.7192 -1.7192 -1.2102 -1.2102 -1.2102 -1.2102 -0.9655 -0.9655 -0.9655 -0.9655 -0.7356 -0.7356 -0.7356 -0.7356 -0.6155 -0.6155 -0.6155 -0.6155 0.3177 0.3177 0.3177 0.3177 0.9399 0.9399 0.9399 0.9399 2.7874 2.7874 2.7874 2.7874 4.7522 4.7522 k = 0.5000 0.0496-0.0000 ( 7268 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8309 -3.8309 -3.8309 -3.8309 -1.7174 -1.7174 -1.7174 -1.7174 -1.2101 -1.2101 -1.2101 -1.2101 -0.9655 -0.9655 -0.9655 -0.9655 -0.7358 -0.7358 -0.7358 -0.7358 -0.6166 -0.6166 -0.6166 -0.6166 0.3103 0.3103 0.3103 0.3103 0.9387 0.9387 0.9387 0.9387 2.7709 2.7709 2.7709 2.7709 4.7812 4.7812 k = 0.5000 0.0595-0.0000 ( 7272 PWs) bands (ev): -8.5582 -8.5582 -8.5582 -8.5582 -3.8300 -3.8300 -3.8300 -3.8300 -1.7154 -1.7154 -1.7154 -1.7154 -1.2100 -1.2100 -1.2100 -1.2100 -0.9656 -0.9656 -0.9656 -0.9656 -0.7360 -0.7360 -0.7360 -0.7360 -0.6179 -0.6179 -0.6179 -0.6179 0.3016 0.3016 0.3016 0.3016 0.9374 0.9374 0.9374 0.9374 2.7518 2.7518 2.7518 2.7518 4.8159 4.8159 k = 0.5000 0.0694-0.0000 ( 7280 PWs) bands (ev): -8.5582 -8.5582 -8.5582 -8.5582 -3.8289 -3.8289 -3.8289 -3.8289 -1.7130 -1.7130 -1.7130 -1.7130 -1.2098 -1.2098 -1.2098 -1.2098 -0.9658 -0.9658 -0.9658 -0.9658 -0.7363 -0.7363 -0.7363 -0.7363 -0.6194 -0.6194 -0.6194 -0.6194 0.2917 0.2917 0.2917 0.2917 0.9359 0.9359 0.9359 0.9359 2.7307 2.7307 2.7307 2.7307 4.8560 4.8560 k = 0.5000 0.0793-0.0000 ( 7292 PWs) bands (ev): -8.5581 -8.5581 -8.5581 -8.5581 -3.8277 -3.8277 -3.8277 -3.8277 -1.7104 -1.7104 -1.7104 -1.7104 -1.2097 -1.2097 -1.2097 -1.2097 -0.9660 -0.9660 -0.9660 -0.9660 -0.7367 -0.7367 -0.7367 -0.7367 -0.6211 -0.6211 -0.6211 -0.6211 0.2808 0.2808 0.2808 0.2808 0.9344 0.9344 0.9344 0.9344 2.7082 2.7082 2.7082 2.7082 4.9009 4.9009 k = 0.5000 0.0892-0.0000 ( 7288 PWs) bands (ev): -8.5581 -8.5581 -8.5581 -8.5581 -3.8265 -3.8265 -3.8265 -3.8265 -1.7076 -1.7076 -1.7076 -1.7076 -1.2095 -1.2095 -1.2095 -1.2095 -0.9661 -0.9661 -0.9661 -0.9661 -0.7371 -0.7371 -0.7371 -0.7371 -0.6228 -0.6228 -0.6228 -0.6228 0.2692 0.2692 0.2692 0.2692 0.9328 0.9328 0.9328 0.9328 2.6847 2.6847 2.6847 2.6847 4.9500 4.9500 k = 0.5000 0.0991-0.0000 ( 7284 PWs) bands (ev): -8.5580 -8.5580 -8.5580 -8.5580 -3.8251 -3.8251 -3.8251 -3.8251 -1.7046 -1.7046 -1.7046 -1.7046 -1.2093 -1.2093 -1.2093 -1.2093 -0.9662 -0.9662 -0.9662 -0.9662 -0.7375 -0.7375 -0.7375 -0.7375 -0.6247 -0.6247 -0.6247 -0.6247 0.2570 0.2570 0.2570 0.2570 0.9312 0.9312 0.9312 0.9312 2.6609 2.6609 2.6609 2.6609 5.0028 5.0028 k = 0.5000 0.1090-0.0000 ( 7284 PWs) bands (ev): -8.5580 -8.5580 -8.5580 -8.5580 -3.8237 -3.8237 -3.8237 -3.8237 -1.7014 -1.7014 -1.7014 -1.7014 -1.2090 -1.2090 -1.2090 -1.2090 -0.9664 -0.9664 -0.9664 -0.9664 -0.7380 -0.7380 -0.7380 -0.7380 -0.6265 -0.6265 -0.6265 -0.6265 0.2445 0.2445 0.2445 0.2445 0.9296 0.9296 0.9296 0.9296 2.6371 2.6371 2.6371 2.6371 5.0584 5.0584 k = 0.5000 0.1190-0.0000 ( 7294 PWs) bands (ev): -8.5579 -8.5579 -8.5579 -8.5579 -3.8223 -3.8223 -3.8223 -3.8223 -1.6983 -1.6983 -1.6983 -1.6983 -1.2088 -1.2088 -1.2088 -1.2088 -0.9666 -0.9666 -0.9666 -0.9666 -0.7385 -0.7385 -0.7385 -0.7385 -0.6284 -0.6284 -0.6284 -0.6284 0.2318 0.2318 0.2318 0.2318 0.9281 0.9281 0.9281 0.9281 2.6139 2.6139 2.6139 2.6139 5.1162 5.1162 k = 0.5000 0.1289-0.0000 ( 7294 PWs) bands (ev): -8.5579 -8.5579 -8.5579 -8.5579 -3.8209 -3.8209 -3.8209 -3.8209 -1.6951 -1.6951 -1.6951 -1.6951 -1.2086 -1.2086 -1.2086 -1.2086 -0.9668 -0.9668 -0.9668 -0.9668 -0.7390 -0.7390 -0.7390 -0.7390 -0.6303 -0.6303 -0.6303 -0.6303 0.2194 0.2194 0.2194 0.2194 0.9267 0.9267 0.9267 0.9267 2.5916 2.5916 2.5916 2.5916 5.1751 5.1751 k = 0.5000 0.1388-0.0000 ( 7290 PWs) bands (ev): -8.5578 -8.5578 -8.5578 -8.5578 -3.8196 -3.8196 -3.8196 -3.8196 -1.6920 -1.6920 -1.6920 -1.6920 -1.2084 -1.2084 -1.2084 -1.2084 -0.9670 -0.9670 -0.9670 -0.9670 -0.7394 -0.7394 -0.7394 -0.7394 -0.6320 -0.6320 -0.6320 -0.6320 0.2072 0.2072 0.2072 0.2072 0.9254 0.9254 0.9254 0.9254 2.5705 2.5705 2.5705 2.5705 5.2342 5.2342 k = 0.5000 0.1487-0.0000 ( 7302 PWs) bands (ev): -8.5578 -8.5578 -8.5578 -8.5578 -3.8183 -3.8183 -3.8183 -3.8183 -1.6891 -1.6891 -1.6891 -1.6891 -1.2082 -1.2082 -1.2082 -1.2082 -0.9672 -0.9672 -0.9672 -0.9672 -0.7399 -0.7399 -0.7399 -0.7399 -0.6337 -0.6337 -0.6337 -0.6337 0.1957 0.1957 0.1957 0.1957 0.9242 0.9242 0.9242 0.9242 2.5509 2.5509 2.5509 2.5509 5.2923 5.2923 k = 0.5000 0.1586-0.0000 ( 7302 PWs) bands (ev): -8.5577 -8.5577 -8.5577 -8.5577 -3.8171 -3.8171 -3.8171 -3.8171 -1.6863 -1.6863 -1.6863 -1.6863 -1.2080 -1.2080 -1.2080 -1.2080 -0.9673 -0.9673 -0.9673 -0.9673 -0.7404 -0.7404 -0.7404 -0.7404 -0.6353 -0.6353 -0.6353 -0.6353 0.1850 0.1850 0.1850 0.1850 0.9231 0.9231 0.9231 0.9231 2.5331 2.5331 2.5331 2.5331 5.3481 5.3481 k = 0.5000 0.1685-0.0000 ( 7310 PWs) bands (ev): -8.5577 -8.5577 -8.5577 -8.5577 -3.8160 -3.8160 -3.8160 -3.8160 -1.6837 -1.6837 -1.6837 -1.6837 -1.2079 -1.2079 -1.2079 -1.2079 -0.9675 -0.9675 -0.9675 -0.9675 -0.7409 -0.7409 -0.7409 -0.7409 -0.6367 -0.6367 -0.6367 -0.6367 0.1753 0.1753 0.1753 0.1753 0.9221 0.9221 0.9221 0.9221 2.5172 2.5172 2.5172 2.5172 5.4000 5.4000 k = 0.5000 0.1784-0.0000 ( 7304 PWs) bands (ev): -8.5577 -8.5577 -8.5577 -8.5577 -3.8150 -3.8150 -3.8150 -3.8150 -1.6814 -1.6814 -1.6814 -1.6814 -1.2078 -1.2078 -1.2078 -1.2078 -0.9676 -0.9676 -0.9676 -0.9676 -0.7413 -0.7413 -0.7413 -0.7413 -0.6379 -0.6379 -0.6379 -0.6379 0.1668 0.1668 0.1668 0.1668 0.9213 0.9213 0.9213 0.9213 2.5036 2.5036 2.5036 2.5036 5.4462 5.4462 k = 0.5000 0.1883-0.0000 ( 7320 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8142 -3.8142 -3.8142 -3.8142 -1.6795 -1.6795 -1.6795 -1.6795 -1.2077 -1.2077 -1.2077 -1.2077 -0.9678 -0.9678 -0.9678 -0.9678 -0.7416 -0.7416 -0.7416 -0.7416 -0.6390 -0.6390 -0.6390 -0.6390 0.1597 0.1597 0.1597 0.1597 0.9207 0.9207 0.9207 0.9207 2.4922 2.4922 2.4922 2.4922 5.4838 5.4838 k = 0.5000 0.1983-0.0000 ( 7308 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8136 -3.8136 -3.8136 -3.8136 -1.6780 -1.6780 -1.6780 -1.6780 -1.2076 -1.2076 -1.2076 -1.2076 -0.9679 -0.9679 -0.9679 -0.9679 -0.7419 -0.7419 -0.7419 -0.7419 -0.6398 -0.6398 -0.6398 -0.6398 0.1539 0.1539 0.1539 0.1539 0.9201 0.9201 0.9201 0.9201 2.4832 2.4832 2.4832 2.4832 5.5086 5.5086 k = 0.5000 0.2082-0.0000 ( 7308 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8131 -3.8131 -3.8131 -3.8131 -1.6768 -1.6768 -1.6768 -1.6768 -1.2075 -1.2075 -1.2075 -1.2075 -0.9679 -0.9679 -0.9679 -0.9679 -0.7421 -0.7421 -0.7421 -0.7421 -0.6404 -0.6404 -0.6404 -0.6404 0.1498 0.1498 0.1498 0.1498 0.9198 0.9198 0.9198 0.9198 2.4768 2.4768 2.4768 2.4768 5.5200 5.5200 k = 0.5000 0.2181-0.0000 ( 7312 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8128 -3.8128 -3.8128 -3.8128 -1.6762 -1.6762 -1.6762 -1.6762 -1.2075 -1.2075 -1.2075 -1.2075 -0.9680 -0.9680 -0.9680 -0.9680 -0.7422 -0.7422 -0.7422 -0.7422 -0.6407 -0.6407 -0.6407 -0.6407 0.1472 0.1472 0.1472 0.1472 0.9195 0.9195 0.9195 0.9195 2.4729 2.4729 2.4729 2.4729 5.5242 5.5242 k = 0.5000 0.2280-0.0000 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2074 -1.2074 -1.2074 -1.2074 -0.9680 -0.9680 -0.9680 -0.9680 -0.7422 -0.7422 -0.7422 -0.7422 -0.6409 -0.6409 -0.6409 -0.6409 0.1464 0.1464 0.1464 0.1464 0.9195 0.9195 0.9195 0.9195 2.4716 2.4716 2.4716 2.4716 5.5253 5.5253 k = 0.5000 0.2280-0.0000 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2074 -1.2074 -1.2074 -1.2074 -0.9680 -0.9680 -0.9680 -0.9680 -0.7422 -0.7422 -0.7422 -0.7422 -0.6409 -0.6409 -0.6409 -0.6409 0.1464 0.1464 0.1464 0.1464 0.9195 0.9195 0.9195 0.9195 2.4716 2.4716 2.4716 2.4716 5.5253 5.5253 k = 0.4900 0.2280-0.0000 ( 7320 PWs) bands (ev): -8.5615 -8.5615 -8.5609 -8.5609 -3.8071 -3.8071 -3.8062 -3.8062 -1.6766 -1.6766 -1.6760 -1.6760 -1.2097 -1.2097 -1.2051 -1.2051 -0.9705 -0.9705 -0.9658 -0.9658 -0.7429 -0.7429 -0.7417 -0.7417 -0.6416 -0.6416 -0.6408 -0.6408 0.1309 0.1309 0.1512 0.1512 0.9134 0.9134 0.9188 0.9188 2.4707 2.4707 2.4857 2.4857 5.4868 5.4868 k = 0.4800 0.2280-0.0000 ( 7324 PWs) bands (ev): -8.5726 -8.5726 -8.5713 -8.5713 -3.7894 -3.7894 -3.7877 -3.7877 -1.6780 -1.6780 -1.6769 -1.6769 -1.2118 -1.2118 -1.2025 -1.2025 -0.9733 -0.9733 -0.9638 -0.9638 -0.7435 -0.7435 -0.7411 -0.7411 -0.6428 -0.6428 -0.6413 -0.6413 0.1054 0.1054 0.1454 0.1454 0.9009 0.9009 0.9116 0.9116 2.4828 2.4828 2.5124 2.5124 5.4512 5.4512 k = 0.4700 0.2280-0.0000 ( 7320 PWs) bands (ev): -8.5907 -8.5907 -8.5888 -8.5888 -3.7599 -3.7599 -3.7573 -3.7573 -1.6801 -1.6801 -1.6786 -1.6786 -1.2137 -1.2137 -1.1996 -1.1996 -0.9765 -0.9765 -0.9620 -0.9620 -0.7442 -0.7442 -0.7406 -0.7406 -0.6447 -0.6447 -0.6425 -0.6425 0.0709 0.0709 0.1293 0.1293 0.8824 0.8824 0.8980 0.8980 2.5069 2.5069 2.5503 2.5503 5.4190 5.4190 k = 0.4600 0.2280-0.0000 ( 7334 PWs) bands (ev): -8.6154 -8.6154 -8.6129 -8.6129 -3.7190 -3.7190 -3.7154 -3.7154 -1.6831 -1.6831 -1.6813 -1.6813 -1.2156 -1.2156 -1.1967 -1.1967 -0.9802 -0.9802 -0.9603 -0.9603 -0.7449 -0.7449 -0.7402 -0.7402 -0.6471 -0.6471 -0.6444 -0.6444 0.0287 0.0287 0.1039 0.1039 0.8584 0.8584 0.8787 0.8787 2.5413 2.5413 2.5973 2.5973 5.3896 5.3896 k = 0.4500 0.2280-0.0000 ( 7346 PWs) bands (ev): -8.6463 -8.6463 -8.6433 -8.6433 -3.6672 -3.6672 -3.6625 -3.6625 -1.6870 -1.6870 -1.6850 -1.6850 -1.2174 -1.2174 -1.1936 -1.1936 -0.9843 -0.9843 -0.9587 -0.9587 -0.7456 -0.7456 -0.7400 -0.7400 -0.6502 -0.6502 -0.6470 -0.6470 -0.0195 -0.0195 0.0705 0.0705 0.8297 0.8297 0.8541 0.8541 2.5838 2.5838 2.6511 2.6511 5.3623 5.3623 k = 0.4400 0.2280-0.0000 ( 7336 PWs) bands (ev): -8.6831 -8.6831 -8.6796 -8.6796 -3.6051 -3.6051 -3.5992 -3.5992 -1.6918 -1.6918 -1.6899 -1.6899 -1.2190 -1.2190 -1.1903 -1.1903 -0.9889 -0.9889 -0.9571 -0.9571 -0.7464 -0.7464 -0.7400 -0.7400 -0.6538 -0.6538 -0.6504 -0.6504 -0.0718 -0.0718 0.0308 0.0308 0.7968 0.7968 0.8250 0.8250 2.6317 2.6317 2.7091 2.7091 5.3362 5.3362 k = 0.4300 0.2280-0.0000 ( 7332 PWs) bands (ev): -8.7250 -8.7250 -8.7211 -8.7211 -3.5334 -3.5334 -3.5261 -3.5261 -1.6977 -1.6977 -1.6961 -1.6961 -1.2206 -1.2206 -1.1869 -1.1869 -0.9940 -0.9940 -0.9554 -0.9554 -0.7473 -0.7473 -0.7406 -0.7406 -0.6580 -0.6580 -0.6545 -0.6545 -0.1263 -0.1263 -0.0135 -0.0135 0.7603 0.7603 0.7918 0.7918 2.6822 2.6822 2.7686 2.7686 5.3106 5.3106 k = 0.4200 0.2280-0.0000 ( 7332 PWs) bands (ev): -8.7717 -8.7717 -8.7673 -8.7673 -3.4530 -3.4530 -3.4440 -3.4440 -1.7050 -1.7050 -1.7039 -1.7039 -1.2223 -1.2223 -1.1834 -1.1834 -0.9998 -0.9998 -0.9537 -0.9537 -0.7484 -0.7484 -0.7422 -0.7422 -0.6631 -0.6631 -0.6592 -0.6592 -0.1810 -0.1810 -0.0606 -0.0606 0.7208 0.7208 0.7552 0.7552 2.7327 2.7327 2.8269 2.8269 5.2847 5.2847 k = 0.4100 0.2280-0.0000 ( 7316 PWs) bands (ev): -8.8224 -8.8224 -8.8176 -8.8176 -3.3646 -3.3646 -3.3537 -3.3537 -1.7141 -1.7141 -1.7131 -1.7131 -1.2242 -1.2242 -1.1800 -1.1800 -1.0062 -1.0062 -0.9518 -0.9518 -0.7497 -0.7497 -0.7456 -0.7456 -0.6696 -0.6696 -0.6638 -0.6638 -0.2337 -0.2337 -0.1086 -0.1086 0.6787 0.6787 0.7157 0.7157 2.7803 2.7803 2.8810 2.8810 5.2575 5.2575 k = 0.4000 0.2280-0.0000 ( 7326 PWs) bands (ev): -8.8766 -8.8766 -8.8716 -8.8716 -3.2692 -3.2692 -3.2562 -3.2562 -1.7256 -1.7256 -1.7236 -1.7236 -1.2262 -1.2262 -1.1768 -1.1768 -1.0132 -1.0132 -0.9497 -0.9497 -0.7527 -0.7527 -0.7506 -0.7506 -0.6783 -0.6783 -0.6675 -0.6675 -0.2819 -0.2819 -0.1557 -0.1557 0.6346 0.6346 0.6738 0.6738 2.8226 2.8226 2.9286 2.9286 5.2278 5.2278 k = 0.3900 0.2280-0.0000 ( 7330 PWs) bands (ev): -8.9339 -8.9339 -8.9285 -8.9285 -3.1678 -3.1678 -3.1523 -3.1523 -1.7397 -1.7397 -1.7359 -1.7359 -1.2284 -1.2284 -1.1739 -1.1739 -1.0208 -1.0208 -0.9473 -0.9473 -0.7627 -0.7627 -0.7534 -0.7534 -0.6889 -0.6889 -0.6696 -0.6696 -0.3235 -0.3235 -0.2000 -0.2000 0.5888 0.5888 0.6300 0.6300 2.8574 2.8574 2.9673 2.9673 5.1946 5.1946 k = 0.3800 0.2280-0.0000 ( 7322 PWs) bands (ev): -8.9935 -8.9935 -8.9879 -8.9879 -3.0613 -3.0613 -3.0430 -3.0430 -1.7563 -1.7563 -1.7502 -1.7502 -1.2310 -1.2310 -1.1715 -1.1715 -1.0288 -1.0288 -0.9446 -0.9446 -0.7785 -0.7785 -0.7570 -0.7570 -0.7011 -0.7011 -0.6698 -0.6698 -0.3561 -0.3561 -0.2397 -0.2397 0.5418 0.5418 0.5848 0.5848 2.8832 2.8832 2.9953 2.9953 5.1573 5.1573 k = 0.3700 0.2280-0.0000 ( 7330 PWs) bands (ev): -9.0551 -9.0551 -9.0494 -9.0494 -2.9510 -2.9510 -2.9294 -2.9294 -1.7759 -1.7759 -1.7668 -1.7668 -1.2340 -1.2340 -1.1700 -1.1700 -1.0372 -1.0372 -0.9416 -0.9416 -0.7999 -0.7999 -0.7627 -0.7627 -0.7141 -0.7141 -0.6680 -0.6680 -0.3784 -0.3784 -0.2732 -0.2732 0.4939 0.4939 0.5388 0.5388 2.8989 2.8989 3.0116 3.0116 5.1158 5.1158 k = 0.3600 0.2280-0.0000 ( 7326 PWs) bands (ev): -9.1182 -9.1182 -9.1123 -9.1123 -2.8380 -2.8380 -2.8128 -2.8128 -1.7983 -1.7983 -1.7857 -1.7857 -1.2375 -1.2375 -1.1697 -1.1697 -1.0454 -1.0454 -0.9382 -0.9382 -0.8261 -0.8261 -0.7720 -0.7720 -0.7259 -0.7259 -0.6648 -0.6648 -0.3899 -0.3899 -0.2987 -0.2987 0.4456 0.4456 0.4925 0.4925 2.9042 2.9042 3.0159 3.0159 5.0701 5.0701 k = 0.3500 0.2280-0.0000 ( 7334 PWs) bands (ev): -9.1824 -9.1824 -9.1764 -9.1764 -2.7236 -2.7236 -2.6947 -2.6947 -1.8239 -1.8239 -1.8070 -1.8070 -1.2416 -1.2416 -1.1713 -1.1713 -1.0532 -1.0532 -0.9347 -0.9347 -0.8552 -0.8552 -0.7861 -0.7861 -0.7352 -0.7352 -0.6606 -0.6606 -0.3909 -0.3909 -0.3148 -0.3148 0.3972 0.3972 0.4463 0.4463 2.8992 2.8992 3.0085 3.0085 5.0208 5.0208 k = 0.3400 0.2280-0.0000 ( 7332 PWs) bands (ev): -9.2473 -9.2473 -9.2411 -9.2411 -2.6095 -2.6095 -2.5768 -2.5768 -1.8522 -1.8522 -1.8302 -1.8302 -1.2463 -1.2463 -1.1752 -1.1752 -1.0598 -1.0598 -0.9315 -0.9315 -0.8848 -0.8848 -0.8043 -0.8043 -0.7420 -0.7420 -0.6561 -0.6561 -0.3821 -0.3821 -0.3198 -0.3198 0.3492 0.3492 0.4009 0.4009 2.8847 2.8847 2.9905 2.9905 4.9681 4.9681 k = 0.3300 0.2280-0.0000 ( 7328 PWs) bands (ev): -9.3124 -9.3124 -9.3062 -9.3062 -2.4976 -2.4976 -2.4617 -2.4617 -1.8828 -1.8828 -1.8541 -1.8541 -1.2517 -1.2517 -1.1819 -1.1819 -1.0650 -1.0650 -0.9324 -0.9324 -0.9098 -0.9098 -0.8249 -0.8249 -0.7473 -0.7473 -0.6520 -0.6520 -0.3642 -0.3642 -0.3126 -0.3126 0.3021 0.3021 0.3569 0.3569 2.8616 2.8616 2.9631 2.9631 4.9128 4.9128 k = 0.3200 0.2280-0.0000 ( 7336 PWs) bands (ev): -9.3776 -9.3776 -9.3714 -9.3714 -2.3903 -2.3903 -2.3534 -2.3534 -1.9145 -1.9145 -1.8764 -1.8764 -1.2579 -1.2579 -1.1913 -1.1913 -1.0687 -1.0687 -0.9504 -0.9504 -0.9161 -0.9161 -0.8461 -0.8461 -0.7519 -0.7519 -0.6490 -0.6490 -0.3381 -0.3381 -0.2920 -0.2920 0.2565 0.2565 0.3151 0.3151 2.8311 2.8311 2.9277 2.9277 4.8554 4.8554 k = 0.3100 0.2280-0.0000 ( 7326 PWs) bands (ev): -9.4426 -9.4426 -9.4363 -9.4363 -2.2919 -2.2919 -2.2590 -2.2590 -1.9440 -1.9440 -1.8912 -1.8912 -1.2649 -1.2649 -1.2030 -1.2030 -1.0715 -1.0715 -0.9742 -0.9742 -0.9144 -0.9144 -0.8661 -0.8661 -0.7562 -0.7562 -0.6473 -0.6473 -0.3038 -0.3038 -0.2583 -0.2583 0.2135 0.2135 0.2768 0.2768 2.7943 2.7943 2.8860 2.8860 4.7963 4.7963 k = 0.3000 0.2280-0.0000 ( 7322 PWs) bands (ev): -9.5070 -9.5070 -9.5008 -9.5008 -2.2118 -2.2118 -2.1916 -2.1916 -1.9636 -1.9636 -1.8864 -1.8864 -1.2728 -1.2728 -1.2162 -1.2162 -1.0748 -1.0748 -0.9953 -0.9953 -0.9150 -0.9150 -0.8819 -0.8819 -0.7604 -0.7604 -0.6470 -0.6470 -0.2621 -0.2621 -0.2128 -0.2128 0.1747 0.1747 0.2438 0.2438 2.7525 2.7525 2.8392 2.8392 4.7360 4.7360 k = 0.2900 0.2280-0.0000 ( 7326 PWs) bands (ev): -9.5706 -9.5706 -9.5645 -9.5645 -2.1729 -2.1729 -2.1609 -2.1609 -1.9551 -1.9551 -1.8494 -1.8494 -1.2816 -1.2816 -1.2304 -1.2304 -1.0809 -1.0809 -1.0111 -1.0111 -0.9238 -0.9238 -0.8879 -0.8879 -0.7645 -0.7645 -0.6478 -0.6478 -0.2149 -0.2149 -0.1598 -0.1598 0.1445 0.1445 0.2197 0.2197 2.7068 2.7068 2.7885 2.7885 4.6751 4.6751 k = 0.2800 0.2280-0.0000 ( 7318 PWs) bands (ev): -9.6333 -9.6333 -9.6272 -9.6272 -2.1829 -2.1829 -2.1641 -2.1641 -1.9094 -1.9094 -1.7860 -1.7860 -1.2914 -1.2914 -1.2448 -1.2448 -1.0917 -1.0917 -1.0199 -1.0199 -0.9386 -0.9386 -0.8864 -0.8864 -0.7683 -0.7683 -0.6496 -0.6496 -0.1677 -0.1677 -0.1097 -0.1097 0.1332 0.1332 0.2108 0.2108 2.6580 2.6580 2.7350 2.7350 4.6138 4.6138 k = 0.2700 0.2280-0.0000 ( 7320 PWs) bands (ev): -9.6949 -9.6949 -9.6888 -9.6888 -2.2151 -2.2151 -2.1919 -2.1919 -1.8464 -1.8464 -1.7128 -1.7128 -1.3023 -1.3023 -1.2590 -1.2590 -1.1068 -1.1068 -1.0226 -1.0226 -0.9545 -0.9545 -0.8824 -0.8824 -0.7719 -0.7719 -0.6520 -0.6520 -0.1309 -0.1309 -0.0824 -0.0824 0.1611 0.1611 0.2280 0.2280 2.6070 2.6070 2.6797 2.6797 4.5526 4.5526 k = 0.2600 0.2280-0.0000 ( 7324 PWs) bands (ev): -9.7551 -9.7551 -9.7492 -9.7492 -2.2572 -2.2572 -2.2306 -2.2306 -1.7820 -1.7820 -1.6401 -1.6401 -1.3143 -1.3143 -1.2727 -1.2727 -1.1244 -1.1244 -1.0215 -1.0215 -0.9696 -0.9696 -0.8778 -0.8778 -0.7751 -0.7751 -0.6548 -0.6548 -0.1149 -0.1149 -0.0851 -0.0851 0.2354 0.2354 0.2811 0.2811 2.5547 2.5547 2.6232 2.6232 4.4918 4.4918 k = 0.2500 0.2280-0.0000 ( 7322 PWs) bands (ev): -9.8139 -9.8139 -9.8081 -9.8081 -2.3038 -2.3038 -2.2741 -2.2741 -1.7218 -1.7218 -1.5727 -1.5727 -1.3273 -1.3273 -1.2857 -1.2857 -1.1429 -1.1429 -1.0185 -1.0185 -0.9832 -0.9832 -0.8732 -0.8732 -0.7776 -0.7776 -0.6578 -0.6578 -0.1226 -0.1226 -0.1007 -0.1007 0.3404 0.3404 0.3707 0.3707 2.5015 2.5015 2.5663 2.5663 4.4317 4.4317 k = 0.2400 0.2280-0.0000 ( 7320 PWs) bands (ev): -9.8711 -9.8711 -9.8654 -9.8654 -2.3527 -2.3527 -2.3202 -2.3202 -1.6677 -1.6677 -1.5126 -1.5126 -1.3412 -1.3412 -1.2976 -1.2976 -1.1616 -1.1616 -1.0154 -1.0154 -0.9945 -0.9945 -0.8689 -0.8689 -0.7794 -0.7794 -0.6609 -0.6609 -0.1465 -0.1465 -0.1188 -0.1188 0.4636 0.4636 0.4895 0.4895 2.4482 2.4482 2.5096 2.5096 4.3726 4.3726 k = 0.2300 0.2280-0.0000 ( 7324 PWs) bands (ev): -9.9266 -9.9266 -9.9210 -9.9210 -2.4025 -2.4025 -2.3675 -2.3675 -1.6198 -1.6198 -1.4613 -1.4613 -1.3557 -1.3557 -1.3078 -1.3078 -1.1798 -1.1798 -1.0159 -1.0159 -1.0003 -1.0003 -0.8651 -0.8651 -0.7802 -0.7802 -0.6640 -0.6640 -0.1755 -0.1755 -0.1397 -0.1397 0.6006 0.6006 0.6289 0.6289 2.3952 2.3952 2.4535 2.4535 4.3146 4.3146 k = 0.2200 0.2280-0.0000 ( 7322 PWs) bands (ev): -9.9802 -9.9802 -9.9749 -9.9749 -2.4525 -2.4525 -2.4151 -2.4151 -1.5779 -1.5779 -1.4220 -1.4220 -1.3698 -1.3698 -1.3139 -1.3139 -1.1972 -1.1972 -1.0225 -1.0225 -0.9983 -0.9983 -0.8619 -0.8619 -0.7799 -0.7799 -0.6670 -0.6670 -0.2054 -0.2054 -0.1623 -0.1623 0.7499 0.7499 0.7823 0.7823 2.3432 2.3432 2.3986 2.3986 4.2581 4.2581 k = 0.2100 0.2280-0.0000 ( 7322 PWs) bands (ev): -10.0320 -10.0320 -10.0268 -10.0268 -2.5020 -2.5020 -2.4625 -2.4625 -1.5417 -1.5417 -1.4044 -1.4044 -1.3791 -1.3791 -1.3103 -1.3103 -1.2132 -1.2132 -1.0303 -1.0303 -0.9936 -0.9936 -0.8595 -0.8595 -0.7784 -0.7784 -0.6699 -0.6699 -0.2349 -0.2349 -0.1855 -0.1855 0.9095 0.9095 0.9457 0.9457 2.2927 2.2927 2.3454 2.3454 4.2031 4.2031 k = 0.2000 0.2280-0.0000 ( 7330 PWs) bands (ev): -10.0818 -10.0818 -10.0768 -10.0768 -2.5506 -2.5506 -2.5092 -2.5092 -1.5107 -1.5107 -1.4126 -1.4126 -1.3825 -1.3825 -1.2940 -1.2940 -1.2267 -1.2267 -1.0374 -1.0374 -0.9886 -0.9886 -0.8578 -0.8578 -0.7758 -0.7758 -0.6725 -0.6725 -0.2632 -0.2632 -0.2083 -0.2083 1.0773 1.0773 1.1166 1.1166 2.2446 2.2446 2.2946 2.2946 4.1500 4.1500 k = 0.1900 0.2280-0.0000 ( 7338 PWs) bands (ev): -10.1295 -10.1295 -10.1247 -10.1247 -2.5980 -2.5980 -2.5549 -2.5549 -1.4850 -1.4850 -1.4277 -1.4277 -1.3908 -1.3908 -1.2762 -1.2762 -1.2334 -1.2334 -1.0432 -1.0432 -0.9836 -0.9836 -0.8566 -0.8566 -0.7721 -0.7721 -0.6749 -0.6749 -0.2902 -0.2902 -0.2303 -0.2303 1.2507 1.2507 1.2922 1.2922 2.2001 2.2001 2.2472 2.2472 4.0987 4.0987 k = 0.1800 0.2280-0.0000 ( 7334 PWs) bands (ev): -10.1751 -10.1751 -10.1705 -10.1705 -2.6439 -2.6439 -2.5992 -2.5992 -1.4671 -1.4671 -1.4410 -1.4410 -1.4022 -1.4022 -1.2730 -1.2730 -1.2237 -1.2237 -1.0477 -1.0477 -0.9790 -0.9790 -0.8558 -0.8558 -0.7676 -0.7676 -0.6768 -0.6768 -0.3157 -0.3157 -0.2513 -0.2513 1.4262 1.4262 1.4693 1.4693 2.1616 2.1616 2.2053 2.2053 4.0495 4.0495 k = 0.1700 0.2280-0.0000 ( 7342 PWs) bands (ev): -10.2185 -10.2185 -10.2141 -10.2141 -2.6882 -2.6882 -2.6421 -2.6421 -1.4704 -1.4704 -1.4394 -1.4394 -1.4133 -1.4133 -1.2805 -1.2805 -1.2033 -1.2033 -1.0507 -1.0507 -0.9749 -0.9749 -0.8551 -0.8551 -0.7624 -0.7624 -0.6784 -0.6784 -0.3397 -0.3397 -0.2712 -0.2712 1.5974 1.5974 1.6414 1.6414 2.1349 2.1349 2.1738 2.1738 4.0026 4.0026 k = 0.1600 0.2280-0.0000 ( 7346 PWs) bands (ev): -10.2596 -10.2596 -10.2554 -10.2554 -2.7305 -2.7305 -2.6832 -2.6832 -1.4861 -1.4861 -1.4401 -1.4401 -1.4141 -1.4141 -1.2901 -1.2901 -1.1817 -1.1817 -1.0524 -1.0524 -0.9713 -0.9713 -0.8544 -0.8544 -0.7568 -0.7568 -0.6795 -0.6795 -0.3621 -0.3621 -0.2898 -0.2898 1.7465 1.7465 1.7931 1.7931 2.1346 2.1346 2.1691 2.1691 3.9581 3.9581 k = 0.1500 0.2280-0.0000 ( 7356 PWs) bands (ev): -10.2985 -10.2985 -10.2945 -10.2945 -2.7709 -2.7709 -2.7224 -2.7224 -1.5034 -1.5034 -1.4525 -1.4525 -1.4048 -1.4048 -1.2995 -1.2995 -1.1610 -1.1610 -1.0527 -1.0527 -0.9684 -0.9684 -0.8536 -0.8536 -0.7509 -0.7509 -0.6801 -0.6801 -0.3830 -0.3830 -0.3073 -0.3073 1.8352 1.8352 1.8896 1.8896 2.1908 2.1908 2.2325 2.2325 3.9161 3.9161 k = 0.1400 0.2280-0.0000 ( 7348 PWs) bands (ev): -10.3350 -10.3350 -10.3312 -10.3312 -2.8091 -2.8091 -2.7596 -2.7596 -1.5208 -1.5208 -1.4674 -1.4674 -1.3954 -1.3954 -1.3083 -1.3083 -1.1417 -1.1417 -1.0517 -1.0517 -0.9661 -0.9661 -0.8526 -0.8526 -0.7449 -0.7449 -0.6800 -0.6800 -0.4025 -0.4025 -0.3235 -0.3235 1.8542 1.8542 1.9125 1.9125 2.3215 2.3215 2.3713 2.3713 3.8768 3.8768 k = 0.1300 0.2280-0.0000 ( 7340 PWs) bands (ev): -10.3691 -10.3691 -10.3655 -10.3655 -2.8450 -2.8450 -2.7946 -2.7946 -1.5378 -1.5378 -1.4826 -1.4826 -1.3877 -1.3877 -1.3163 -1.3163 -1.1240 -1.1240 -1.0495 -1.0495 -0.9645 -0.9645 -0.8514 -0.8514 -0.7391 -0.7391 -0.6793 -0.6793 -0.4206 -0.4206 -0.3385 -0.3385 1.8407 1.8407 1.8984 1.8984 2.4920 2.4920 2.5444 2.5444 3.8406 3.8406 k = 0.1200 0.2280-0.0000 ( 7332 PWs) bands (ev): -10.4008 -10.4008 -10.3975 -10.3975 -2.8786 -2.8786 -2.8274 -2.8274 -1.5543 -1.5543 -1.4977 -1.4977 -1.3817 -1.3817 -1.3237 -1.3237 -1.1076 -1.1076 -1.0464 -1.0464 -0.9634 -0.9634 -0.8501 -0.8501 -0.7334 -0.7334 -0.6780 -0.6780 -0.4374 -0.4374 -0.3524 -0.3524 1.8165 1.8165 1.8732 1.8732 2.6750 2.6750 2.7287 2.7287 3.8076 3.8076 k = 0.1100 0.2280-0.0000 ( 7342 PWs) bands (ev): -10.4301 -10.4301 -10.4270 -10.4270 -2.9097 -2.9097 -2.8578 -2.8578 -1.5700 -1.5700 -1.5122 -1.5122 -1.3772 -1.3772 -1.3304 -1.3304 -1.0927 -1.0927 -1.0426 -1.0426 -0.9628 -0.9628 -0.8487 -0.8487 -0.7280 -0.7280 -0.6761 -0.6761 -0.4529 -0.4529 -0.3651 -0.3651 1.7892 1.7892 1.8452 1.8452 2.8605 2.8605 2.9155 2.9155 3.7786 3.7786 k = 0.1000 0.2280-0.0000 ( 7350 PWs) bands (ev): -10.4568 -10.4568 -10.4540 -10.4540 -2.9383 -2.9383 -2.8858 -2.8858 -1.5847 -1.5847 -1.5260 -1.5260 -1.3741 -1.3741 -1.3365 -1.3365 -1.0792 -1.0792 -1.0382 -1.0382 -0.9627 -0.9627 -0.8472 -0.8472 -0.7230 -0.7230 -0.6735 -0.6735 -0.4672 -0.4672 -0.3768 -0.3768 1.7618 1.7618 1.8173 1.8173 3.0429 3.0429 3.1004 3.1004 3.7547 3.7547 k = 0.0900 0.2280-0.0000 ( 7342 PWs) bands (ev): -10.4811 -10.4811 -10.4785 -10.4785 -2.9644 -2.9644 -2.9113 -2.9113 -1.5984 -1.5984 -1.5389 -1.5389 -1.3720 -1.3720 -1.3419 -1.3419 -1.0669 -1.0669 -1.0336 -1.0336 -0.9628 -0.9628 -0.8458 -0.8458 -0.7183 -0.7183 -0.6705 -0.6705 -0.4802 -0.4802 -0.3873 -0.3873 1.7356 1.7356 1.7908 1.7908 3.2171 3.2171 3.2804 3.2804 3.7384 3.7384 k = 0.0800 0.2280-0.0000 ( 7332 PWs) bands (ev): -10.5029 -10.5029 -10.5005 -10.5005 -2.9878 -2.9878 -2.9342 -2.9342 -1.6110 -1.6110 -1.5508 -1.5508 -1.3707 -1.3707 -1.3467 -1.3467 -1.0558 -1.0558 -1.0288 -1.0288 -0.9631 -0.9631 -0.8445 -0.8445 -0.7140 -0.7140 -0.6671 -0.6671 -0.4920 -0.4920 -0.3969 -0.3969 1.7112 1.7112 1.7663 1.7663 3.3738 3.3738 3.4526 3.4526 3.7370 3.7370 k = 0.0700 0.2280-0.0000 ( 7328 PWs) bands (ev): -10.5222 -10.5222 -10.5200 -10.5200 -3.0086 -3.0086 -2.9546 -2.9546 -1.6223 -1.6223 -1.5615 -1.5615 -1.3701 -1.3701 -1.3509 -1.3509 -1.0460 -1.0460 -1.0242 -1.0242 -0.9635 -0.9635 -0.8434 -0.8434 -0.7101 -0.7101 -0.6635 -0.6635 -0.5027 -0.5027 -0.4053 -0.4053 1.6891 1.6891 1.7442 1.7442 3.4915 3.4915 3.6148 3.6148 3.7689 3.7689 k = 0.0600 0.2280-0.0000 ( 7326 PWs) bands (ev): -10.5389 -10.5389 -10.5369 -10.5369 -3.0266 -3.0266 -2.9723 -2.9723 -1.6323 -1.6323 -1.5709 -1.5709 -1.3699 -1.3699 -1.3545 -1.3545 -1.0373 -1.0373 -1.0199 -1.0199 -0.9641 -0.9641 -0.8424 -0.8424 -0.7065 -0.7065 -0.6599 -0.6599 -0.5122 -0.5122 -0.4127 -0.4127 1.6696 1.6696 1.7247 1.7247 3.5481 3.5481 3.7656 3.7656 3.8525 3.8525 k = 0.0500 0.2280-0.0000 ( 7330 PWs) bands (ev): -10.5530 -10.5530 -10.5513 -10.5513 -3.0420 -3.0420 -2.9873 -2.9873 -1.6408 -1.6408 -1.5791 -1.5791 -1.3700 -1.3700 -1.3576 -1.3576 -1.0298 -1.0298 -1.0161 -1.0161 -0.9646 -0.9646 -0.8416 -0.8416 -0.7033 -0.7033 -0.6565 -0.6565 -0.5205 -0.5205 -0.4190 -0.4190 1.6529 1.6529 1.7080 1.7080 3.5634 3.5634 3.9029 3.9029 3.9641 3.9641 k = 0.0400 0.2280-0.0000 ( 7330 PWs) bands (ev): -10.5646 -10.5646 -10.5631 -10.5631 -3.0545 -3.0545 -2.9997 -2.9997 -1.6479 -1.6479 -1.5858 -1.5858 -1.3703 -1.3703 -1.3601 -1.3601 -1.0235 -1.0235 -1.0130 -1.0130 -0.9652 -0.9652 -0.8410 -0.8410 -0.7006 -0.7006 -0.6534 -0.6534 -0.5274 -0.5274 -0.4242 -0.4242 1.6390 1.6390 1.6942 1.6942 3.5641 3.5641 4.0235 4.0235 4.0738 4.0738 k = 0.0300 0.2280-0.0000 ( 7322 PWs) bands (ev): -10.5735 -10.5735 -10.5723 -10.5723 -3.0643 -3.0643 -3.0093 -3.0093 -1.6534 -1.6534 -1.5911 -1.5911 -1.3706 -1.3706 -1.3620 -1.3620 -1.0184 -1.0184 -1.0107 -1.0107 -0.9656 -0.9656 -0.8405 -0.8405 -0.6983 -0.6983 -0.6508 -0.6508 -0.5329 -0.5329 -0.4283 -0.4283 1.6281 1.6281 1.6834 1.6834 3.5609 3.5609 4.1234 4.1234 4.1682 4.1682 k = 0.0200 0.2280-0.0000 ( 7330 PWs) bands (ev): -10.5800 -10.5800 -10.5788 -10.5788 -3.0714 -3.0714 -3.0162 -3.0162 -1.6574 -1.6574 -1.5950 -1.5950 -1.3709 -1.3709 -1.3634 -1.3634 -1.0144 -1.0144 -1.0093 -1.0093 -0.9659 -0.9659 -0.8402 -0.8402 -0.6967 -0.6967 -0.6488 -0.6488 -0.5370 -0.5370 -0.4313 -0.4313 1.6203 1.6203 1.6757 1.6757 3.5573 3.5573 4.1984 4.1984 4.2407 4.2407 k = 0.0100 0.2280-0.0000 ( 7332 PWs) bands (ev): -10.5838 -10.5838 -10.5828 -10.5828 -3.0756 -3.0756 -3.0203 -3.0203 -1.6598 -1.6598 -1.5973 -1.5973 -1.3711 -1.3711 -1.3642 -1.3642 -1.0116 -1.0116 -1.0089 -1.0089 -0.9661 -0.9661 -0.8401 -0.8401 -0.6956 -0.6956 -0.6476 -0.6476 -0.5395 -0.5395 -0.4331 -0.4331 1.6156 1.6156 1.6710 1.6710 3.5548 3.5548 4.2450 4.2450 4.2865 4.2865 k = 0.0000 0.2280-0.0000 ( 7324 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0770 -3.0770 -3.0217 -3.0217 -1.6606 -1.6606 -1.5980 -1.5980 -1.3711 -1.3711 -1.3645 -1.3645 -1.0102 -1.0102 -1.0091 -1.0091 -0.9662 -0.9662 -0.8400 -0.8400 -0.6953 -0.6953 -0.6472 -0.6472 -0.5403 -0.5403 -0.4337 -0.4337 1.6140 1.6140 1.6695 1.6695 3.5539 3.5539 4.2608 4.2608 4.3023 4.3023 k = 0.0000 0.2280-0.0000 ( 7324 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0770 -3.0770 -3.0217 -3.0217 -1.6606 -1.6606 -1.5980 -1.5980 -1.3711 -1.3711 -1.3645 -1.3645 -1.0102 -1.0102 -1.0091 -1.0091 -0.9662 -0.9662 -0.8400 -0.8400 -0.6953 -0.6953 -0.6472 -0.6472 -0.5403 -0.5403 -0.4337 -0.4337 1.6140 1.6140 1.6695 1.6695 3.5539 3.5539 4.2608 4.2608 4.3023 4.3023 k = 0.0000 0.2181-0.0000 ( 7332 PWs) bands (ev): -10.5856 -10.5856 -10.5836 -10.5836 -3.0764 -3.0764 -3.0206 -3.0206 -1.6610 -1.6610 -1.5976 -1.5976 -1.3711 -1.3711 -1.3644 -1.3644 -1.0103 -1.0103 -1.0090 -1.0090 -0.9662 -0.9662 -0.8399 -0.8399 -0.6953 -0.6953 -0.6472 -0.6472 -0.5414 -0.5414 -0.4327 -0.4327 1.6076 1.6076 1.6639 1.6639 3.5542 3.5542 4.2605 4.2605 4.3017 4.3017 k = 0.0000 0.2082-0.0000 ( 7332 PWs) bands (ev): -10.5865 -10.5865 -10.5829 -10.5829 -3.0745 -3.0745 -3.0172 -3.0172 -1.6622 -1.6622 -1.5963 -1.5963 -1.3708 -1.3708 -1.3642 -1.3642 -1.0103 -1.0103 -1.0089 -1.0089 -0.9663 -0.9663 -0.8398 -0.8398 -0.6954 -0.6954 -0.6472 -0.6472 -0.5445 -0.5445 -0.4299 -0.4299 1.5885 1.5885 1.6473 1.6473 3.5551 3.5551 4.2597 4.2597 4.2999 4.2999 k = 0.0000 0.1983-0.0000 ( 7332 PWs) bands (ev): -10.5875 -10.5875 -10.5821 -10.5821 -3.0714 -3.0714 -3.0117 -3.0117 -1.6639 -1.6639 -1.5942 -1.5942 -1.3704 -1.3704 -1.3638 -1.3638 -1.0103 -1.0103 -1.0088 -1.0088 -0.9664 -0.9664 -0.8396 -0.8396 -0.6955 -0.6955 -0.6472 -0.6472 -0.5493 -0.5493 -0.4256 -0.4256 1.5576 1.5576 1.6203 1.6203 3.5567 3.5567 4.2584 4.2584 4.2973 4.2973 k = 0.0000 0.1883-0.0000 ( 7348 PWs) bands (ev): -10.5885 -10.5885 -10.5814 -10.5814 -3.0671 -3.0671 -3.0042 -3.0042 -1.6662 -1.6662 -1.5915 -1.5915 -1.3699 -1.3699 -1.3633 -1.3633 -1.0103 -1.0103 -1.0087 -1.0087 -0.9666 -0.9666 -0.8393 -0.8393 -0.6957 -0.6957 -0.6472 -0.6472 -0.5553 -0.5553 -0.4202 -0.4202 1.5162 1.5162 1.5839 1.5839 3.5591 3.5591 4.2569 4.2569 4.2942 4.2942 k = 0.0000 0.1784-0.0000 ( 7358 PWs) bands (ev): -10.5895 -10.5895 -10.5808 -10.5808 -3.0615 -3.0615 -2.9948 -2.9948 -1.6689 -1.6689 -1.5884 -1.5884 -1.3692 -1.3692 -1.3625 -1.3625 -1.0103 -1.0103 -1.0085 -1.0085 -0.9668 -0.9668 -0.8389 -0.8389 -0.6959 -0.6959 -0.6472 -0.6472 -0.5622 -0.5622 -0.4142 -0.4142 1.4658 1.4658 1.5392 1.5392 3.5624 3.5624 4.2552 4.2552 4.2910 4.2910 k = 0.0000 0.1685-0.0000 ( 7358 PWs) bands (ev): -10.5905 -10.5905 -10.5802 -10.5802 -3.0548 -3.0548 -2.9837 -2.9837 -1.6719 -1.6719 -1.5849 -1.5849 -1.3684 -1.3684 -1.3616 -1.3616 -1.0103 -1.0103 -1.0082 -1.0082 -0.9670 -0.9670 -0.8384 -0.8384 -0.6962 -0.6962 -0.6472 -0.6472 -0.5697 -0.5697 -0.4077 -0.4077 1.4081 1.4081 1.4877 1.4877 3.5666 3.5666 4.2535 4.2535 4.2879 4.2879 k = 0.0000 0.1586-0.0000 ( 7348 PWs) bands (ev): -10.5916 -10.5916 -10.5797 -10.5797 -3.0469 -3.0469 -2.9711 -2.9711 -1.6749 -1.6749 -1.5811 -1.5811 -1.3673 -1.3673 -1.3605 -1.3605 -1.0102 -1.0102 -1.0078 -1.0078 -0.9672 -0.9672 -0.8378 -0.8378 -0.6966 -0.6966 -0.6472 -0.6472 -0.5773 -0.5773 -0.4011 -0.4011 1.3446 1.3446 1.4308 1.4308 3.5718 3.5718 4.2518 4.2518 4.2849 4.2849 k = 0.0000 0.1487-0.0000 ( 7338 PWs) bands (ev): -10.5926 -10.5926 -10.5792 -10.5792 -3.0381 -3.0381 -2.9571 -2.9571 -1.6780 -1.6780 -1.5773 -1.5773 -1.3661 -1.3661 -1.3592 -1.3592 -1.0101 -1.0101 -1.0074 -1.0074 -0.9674 -0.9674 -0.8372 -0.8372 -0.6970 -0.6970 -0.6472 -0.6472 -0.5850 -0.5850 -0.3946 -0.3946 1.2770 1.2770 1.3700 1.3700 3.5779 3.5779 4.2503 4.2503 4.2821 4.2821 k = 0.0000 0.1388-0.0000 ( 7326 PWs) bands (ev): -10.5937 -10.5937 -10.5788 -10.5788 -3.0283 -3.0283 -2.9421 -2.9421 -1.6810 -1.6810 -1.5734 -1.5734 -1.3648 -1.3648 -1.3578 -1.3578 -1.0100 -1.0100 -1.0070 -1.0070 -0.9677 -0.9677 -0.8364 -0.8364 -0.6975 -0.6975 -0.6472 -0.6472 -0.5925 -0.5925 -0.3882 -0.3882 1.2068 1.2068 1.3066 1.3066 3.5851 3.5851 4.2491 4.2491 4.2795 4.2795 k = 0.0000 0.1289-0.0000 ( 7326 PWs) bands (ev): -10.5947 -10.5947 -10.5784 -10.5784 -3.0179 -3.0179 -2.9263 -2.9263 -1.6840 -1.6840 -1.5695 -1.5695 -1.3633 -1.3633 -1.3563 -1.3563 -1.0099 -1.0099 -1.0065 -1.0065 -0.9679 -0.9679 -0.8355 -0.8355 -0.6981 -0.6981 -0.6472 -0.6472 -0.5997 -0.5997 -0.3821 -0.3821 1.1353 1.1353 1.2421 1.2421 3.5931 3.5931 4.2480 4.2480 4.2771 4.2771 k = 0.0000 0.1190-0.0000 ( 7322 PWs) bands (ev): -10.5957 -10.5957 -10.5781 -10.5781 -3.0069 -3.0069 -2.9099 -2.9099 -1.6869 -1.6869 -1.5658 -1.5658 -1.3617 -1.3617 -1.3547 -1.3547 -1.0099 -1.0099 -1.0061 -1.0061 -0.9681 -0.9681 -0.8346 -0.8346 -0.6988 -0.6988 -0.6472 -0.6472 -0.6066 -0.6066 -0.3763 -0.3763 1.0639 1.0639 1.1775 1.1775 3.6019 3.6019 4.2473 4.2473 4.2748 4.2748 k = 0.0000 0.1090-0.0000 ( 7334 PWs) bands (ev): -10.5966 -10.5966 -10.5778 -10.5778 -2.9955 -2.9955 -2.8932 -2.8932 -1.6897 -1.6897 -1.5621 -1.5621 -1.3601 -1.3601 -1.3531 -1.3531 -1.0098 -1.0098 -1.0056 -1.0056 -0.9682 -0.9682 -0.8337 -0.8337 -0.6996 -0.6996 -0.6472 -0.6472 -0.6130 -0.6130 -0.3709 -0.3709 0.9936 0.9936 1.1141 1.1141 3.6112 3.6112 4.2468 4.2468 4.2727 4.2727 k = 0.0000 0.0991-0.0000 ( 7334 PWs) bands (ev): -10.5976 -10.5976 -10.5776 -10.5776 -2.9840 -2.9840 -2.8765 -2.8765 -1.6922 -1.6922 -1.5587 -1.5587 -1.3584 -1.3584 -1.3513 -1.3513 -1.0097 -1.0097 -1.0051 -1.0051 -0.9684 -0.9684 -0.8326 -0.8326 -0.7005 -0.7005 -0.6472 -0.6472 -0.6189 -0.6189 -0.3659 -0.3659 0.9256 0.9256 1.0528 1.0528 3.6210 3.6210 4.2466 4.2466 4.2707 4.2707 k = 0.0000 0.0892-0.0000 ( 7334 PWs) bands (ev): -10.5984 -10.5984 -10.5774 -10.5774 -2.9727 -2.9727 -2.8601 -2.8601 -1.6946 -1.6946 -1.5554 -1.5554 -1.3566 -1.3566 -1.3496 -1.3496 -1.0096 -1.0096 -1.0046 -1.0046 -0.9684 -0.9684 -0.8316 -0.8316 -0.7015 -0.7015 -0.6472 -0.6472 -0.6242 -0.6242 -0.3614 -0.3614 0.8607 0.8607 0.9944 0.9944 3.6310 3.6310 4.2466 4.2466 4.2689 4.2689 k = 0.0000 0.0793-0.0000 ( 7328 PWs) bands (ev): -10.5992 -10.5992 -10.5772 -10.5772 -2.9617 -2.9617 -2.8443 -2.8443 -1.6967 -1.6967 -1.5524 -1.5524 -1.3547 -1.3547 -1.3478 -1.3478 -1.0095 -1.0095 -1.0041 -1.0041 -0.9685 -0.9685 -0.8305 -0.8305 -0.7025 -0.7025 -0.6472 -0.6472 -0.6288 -0.6288 -0.3573 -0.3573 0.7999 0.7999 0.9400 0.9400 3.6410 3.6410 4.2469 4.2469 4.2671 4.2671 k = 0.0000 0.0694-0.0000 ( 7344 PWs) bands (ev): -10.5999 -10.5999 -10.5771 -10.5771 -2.9512 -2.9512 -2.8295 -2.8295 -1.6987 -1.6987 -1.5497 -1.5497 -1.3530 -1.3530 -1.3461 -1.3461 -1.0095 -1.0095 -1.0036 -1.0036 -0.9685 -0.9685 -0.8294 -0.8294 -0.7036 -0.7036 -0.6471 -0.6471 -0.6329 -0.6329 -0.3537 -0.3537 0.7440 0.7440 0.8901 0.8901 3.6506 3.6506 4.2474 4.2474 4.2654 4.2654 k = 0.0000 0.0595-0.0000 ( 7331 PWs) bands (ev): -10.6005 -10.6005 -10.5770 -10.5770 -2.9416 -2.9416 -2.8159 -2.8159 -1.7004 -1.7004 -1.5473 -1.5473 -1.3513 -1.3513 -1.3445 -1.3445 -1.0094 -1.0094 -1.0031 -1.0031 -0.9684 -0.9684 -0.8283 -0.8283 -0.7047 -0.7047 -0.6471 -0.6471 -0.6363 -0.6363 -0.3505 -0.3505 0.6938 0.6938 0.8454 0.8454 3.6597 3.6597 4.2481 4.2481 4.2638 4.2638 k = 0.0000 0.0496-0.0000 ( 7333 PWs) bands (ev): -10.6011 -10.6011 -10.5769 -10.5769 -2.9330 -2.9330 -2.8037 -2.8037 -1.7018 -1.7018 -1.5452 -1.5452 -1.3499 -1.3499 -1.3430 -1.3430 -1.0094 -1.0094 -1.0026 -1.0026 -0.9683 -0.9683 -0.8273 -0.8273 -0.7057 -0.7057 -0.6470 -0.6470 -0.6392 -0.6392 -0.3478 -0.3478 0.6500 0.6500 0.8066 0.8066 3.6679 3.6679 4.2490 4.2490 4.2623 4.2623 k = 0.0000 0.0397-0.0000 ( 7327 PWs) bands (ev): -10.6015 -10.6015 -10.5768 -10.5768 -2.9257 -2.9257 -2.7934 -2.7934 -1.7030 -1.7030 -1.5435 -1.5435 -1.3485 -1.3485 -1.3417 -1.3417 -1.0094 -1.0094 -1.0022 -1.0022 -0.9682 -0.9682 -0.8264 -0.8264 -0.7066 -0.7066 -0.6469 -0.6469 -0.6414 -0.6414 -0.3456 -0.3456 0.6131 0.6131 0.7741 0.7741 3.6750 3.6750 4.2500 4.2500 4.2608 4.2608 k = 0.0000 0.0297-0.0000 ( 7337 PWs) bands (ev): -10.6019 -10.6019 -10.5768 -10.5768 -2.9198 -2.9198 -2.7851 -2.7851 -1.7039 -1.7039 -1.5421 -1.5421 -1.3474 -1.3474 -1.3406 -1.3406 -1.0094 -1.0094 -1.0019 -1.0019 -0.9681 -0.9681 -0.8257 -0.8257 -0.7074 -0.7074 -0.6468 -0.6468 -0.6432 -0.6432 -0.3438 -0.3438 0.5838 0.5838 0.7484 0.7484 3.6808 3.6808 4.2512 4.2512 4.2593 4.2593 k = 0.0000 0.0198-0.0000 ( 7339 PWs) bands (ev): -10.6022 -10.6022 -10.5767 -10.5767 -2.9155 -2.9155 -2.7790 -2.7790 -1.7046 -1.7046 -1.5411 -1.5411 -1.3466 -1.3466 -1.3398 -1.3398 -1.0094 -1.0094 -1.0017 -1.0017 -0.9681 -0.9681 -0.8251 -0.8251 -0.7080 -0.7080 -0.6467 -0.6467 -0.6445 -0.6445 -0.3426 -0.3426 0.5626 0.5626 0.7298 0.7298 3.6850 3.6850 4.2524 4.2524 4.2579 4.2579 k = 0.0000 0.0099-0.0000 ( 7333 PWs) bands (ev): -10.6023 -10.6023 -10.5767 -10.5767 -2.9128 -2.9128 -2.7753 -2.7753 -1.7050 -1.7050 -1.5405 -1.5405 -1.3460 -1.3460 -1.3393 -1.3393 -1.0094 -1.0094 -1.0015 -1.0015 -0.9680 -0.9680 -0.8248 -0.8248 -0.7084 -0.7084 -0.6466 -0.6466 -0.6453 -0.6453 -0.3419 -0.3419 0.5497 0.5497 0.7186 0.7186 3.6877 3.6877 4.2537 4.2537 4.2565 4.2565 k = 0.0000 0.0000 0.0000 ( 7327 PWs) bands (ev): -10.6024 -10.6024 -10.5767 -10.5767 -2.9119 -2.9119 -2.7741 -2.7741 -1.7051 -1.7051 -1.5403 -1.5403 -1.3458 -1.3458 -1.3391 -1.3391 -1.0093 -1.0093 -1.0014 -1.0014 -0.9680 -0.9680 -0.8246 -0.8246 -0.7085 -0.7085 -0.6465 -0.6465 -0.6457 -0.6457 -0.3416 -0.3416 0.5454 0.5454 0.7148 0.7148 3.6885 3.6885 4.2550 4.2550 4.2552 4.2552 k = 0.0000 0.0000 0.0000 ( 7327 PWs) bands (ev): -10.6024 -10.6024 -10.5767 -10.5767 -2.9119 -2.9119 -2.7741 -2.7741 -1.7051 -1.7051 -1.5403 -1.5403 -1.3458 -1.3458 -1.3391 -1.3391 -1.0093 -1.0093 -1.0014 -1.0014 -0.9680 -0.9680 -0.8246 -0.8246 -0.7085 -0.7085 -0.6465 -0.6465 -0.6457 -0.6457 -0.3416 -0.3416 0.5454 0.5454 0.7148 0.7148 3.6885 3.6885 4.2550 4.2550 4.2552 4.2552 k = 0.0000 0.0000 0.0099 ( 7333 PWs) bands (ev): -10.6023 -10.6023 -10.5767 -10.5767 -2.9117 -2.9117 -2.7744 -2.7744 -1.7049 -1.7049 -1.5408 -1.5408 -1.3458 -1.3458 -1.3391 -1.3391 -1.0093 -1.0093 -1.0014 -1.0014 -0.9677 -0.9677 -0.8250 -0.8250 -0.7084 -0.7084 -0.6488 -0.6488 -0.6431 -0.6431 -0.3428 -0.3428 0.5469 0.5469 0.7153 0.7153 3.6900 3.6900 4.2542 4.2542 4.2561 4.2561 k = 0.0000 0.0000 0.0198 ( 7321 PWs) bands (ev): -10.6022 -10.6022 -10.5769 -10.5769 -2.9108 -2.9108 -2.7753 -2.7753 -1.7040 -1.7040 -1.5421 -1.5421 -1.3457 -1.3457 -1.3391 -1.3391 -1.0091 -1.0091 -1.0015 -1.0015 -0.9669 -0.9669 -0.8261 -0.8261 -0.7078 -0.7078 -0.6513 -0.6513 -0.6399 -0.6399 -0.3465 -0.3465 0.5516 0.5516 0.7167 0.7167 3.6942 3.6942 4.2534 4.2534 4.2572 4.2572 k = 0.0000 0.0000 0.0296 ( 7325 PWs) bands (ev): -10.6019 -10.6019 -10.5772 -10.5772 -2.9095 -2.9095 -2.7769 -2.7769 -1.7026 -1.7026 -1.5443 -1.5443 -1.3455 -1.3455 -1.3391 -1.3391 -1.0088 -1.0088 -1.0015 -1.0015 -0.9657 -0.9657 -0.8280 -0.8280 -0.7069 -0.7069 -0.6537 -0.6537 -0.6363 -0.6363 -0.3523 -0.3523 0.5592 0.5592 0.7190 0.7190 3.7012 3.7012 4.2524 4.2524 4.2586 4.2586 k = 0.0000 0.0000 0.0395 ( 7323 PWs) bands (ev): -10.6015 -10.6015 -10.5776 -10.5776 -2.9076 -2.9076 -2.7791 -2.7791 -1.7006 -1.7006 -1.5472 -1.5472 -1.3453 -1.3453 -1.3390 -1.3390 -1.0085 -1.0085 -1.0015 -1.0015 -0.9639 -0.9639 -0.8305 -0.8305 -0.7057 -0.7057 -0.6559 -0.6559 -0.6324 -0.6324 -0.3602 -0.3602 0.5694 0.5694 0.7221 0.7221 3.7109 3.7109 4.2514 4.2514 4.2602 4.2602 k = 0.0000 0.0000 0.0494 ( 7323 PWs) bands (ev): -10.6010 -10.6010 -10.5780 -10.5780 -2.9052 -2.9052 -2.7819 -2.7819 -1.6981 -1.6981 -1.5510 -1.5510 -1.3450 -1.3450 -1.3391 -1.3391 -1.0081 -1.0081 -1.0016 -1.0016 -0.9616 -0.9616 -0.8336 -0.8336 -0.7043 -0.7043 -0.6580 -0.6580 -0.6281 -0.6281 -0.3699 -0.3699 0.5819 0.5819 0.7259 0.7259 3.7234 3.7234 4.2501 4.2501 4.2621 4.2621 k = 0.0000 0.0000 0.0593 ( 7323 PWs) bands (ev): -10.6005 -10.6005 -10.5786 -10.5786 -2.9023 -2.9023 -2.7852 -2.7852 -1.6950 -1.6950 -1.5555 -1.5555 -1.3446 -1.3446 -1.3391 -1.3391 -1.0076 -1.0076 -1.0017 -1.0017 -0.9588 -0.9588 -0.8373 -0.8373 -0.7026 -0.7026 -0.6601 -0.6601 -0.6232 -0.6232 -0.3811 -0.3811 0.5961 0.5961 0.7301 0.7301 3.7384 3.7384 4.2484 4.2484 4.2642 4.2642 k = 0.0000 0.0000 0.0692 ( 7334 PWs) bands (ev): -10.5998 -10.5998 -10.5793 -10.5793 -2.8989 -2.8989 -2.7890 -2.7890 -1.6915 -1.6915 -1.5606 -1.5606 -1.3442 -1.3442 -1.3391 -1.3391 -1.0072 -1.0072 -1.0018 -1.0018 -0.9554 -0.9554 -0.8416 -0.8416 -0.7008 -0.7008 -0.6622 -0.6622 -0.6179 -0.6179 -0.3935 -0.3935 0.6117 0.6117 0.7347 0.7347 3.7559 3.7559 4.2462 4.2462 4.2667 4.2667 k = 0.0000 0.0000 0.0790 ( 7338 PWs) bands (ev): -10.5990 -10.5990 -10.5801 -10.5801 -2.8951 -2.8951 -2.7934 -2.7934 -1.6873 -1.6873 -1.5663 -1.5663 -1.3438 -1.3438 -1.3391 -1.3391 -1.0067 -1.0067 -1.0019 -1.0019 -0.9517 -0.9517 -0.8464 -0.8464 -0.6990 -0.6990 -0.6642 -0.6642 -0.6120 -0.6120 -0.4068 -0.4068 0.6280 0.6280 0.7394 0.7394 3.7758 3.7758 4.2432 4.2432 4.2694 4.2694 k = 0.0000 0.0000 0.0889 ( 7342 PWs) bands (ev): -10.5982 -10.5982 -10.5809 -10.5809 -2.8908 -2.8908 -2.7981 -2.7981 -1.6827 -1.6827 -1.5726 -1.5726 -1.3434 -1.3434 -1.3391 -1.3391 -1.0063 -1.0063 -1.0021 -1.0021 -0.9474 -0.9474 -0.8515 -0.8515 -0.6971 -0.6971 -0.6662 -0.6662 -0.6056 -0.6056 -0.4206 -0.4206 0.6448 0.6448 0.7440 0.7440 3.7981 3.7981 4.2390 4.2390 4.2723 4.2723 k = 0.0000 0.0000 0.0988 ( 7346 PWs) bands (ev): -10.5973 -10.5973 -10.5818 -10.5818 -2.8862 -2.8862 -2.8033 -2.8033 -1.6777 -1.6777 -1.5792 -1.5792 -1.3430 -1.3430 -1.3392 -1.3392 -1.0058 -1.0058 -1.0022 -1.0022 -0.9427 -0.9427 -0.8570 -0.8570 -0.6951 -0.6951 -0.6681 -0.6681 -0.5985 -0.5985 -0.4349 -0.4349 0.6614 0.6614 0.7481 0.7481 3.8226 3.8226 4.2331 4.2331 4.2756 4.2756 k = 0.0000 0.0000 0.1087 ( 7358 PWs) bands (ev): -10.5963 -10.5963 -10.5828 -10.5828 -2.8811 -2.8811 -2.8088 -2.8088 -1.6722 -1.6722 -1.5863 -1.5863 -1.3426 -1.3426 -1.3393 -1.3393 -1.0054 -1.0054 -1.0024 -1.0024 -0.9376 -0.9376 -0.8629 -0.8629 -0.6931 -0.6931 -0.6701 -0.6701 -0.5907 -0.5907 -0.4493 -0.4493 0.6775 0.6775 0.7517 0.7517 3.8495 3.8495 4.2244 4.2244 4.2791 4.2791 k = 0.0000 0.0000 0.1185 ( 7370 PWs) bands (ev): -10.5953 -10.5953 -10.5838 -10.5838 -2.8758 -2.8758 -2.8145 -2.8145 -1.6663 -1.6663 -1.5936 -1.5936 -1.3422 -1.3422 -1.3395 -1.3395 -1.0051 -1.0051 -1.0025 -1.0025 -0.9322 -0.9322 -0.8689 -0.8689 -0.6912 -0.6912 -0.6720 -0.6720 -0.5824 -0.5824 -0.4637 -0.4637 0.6927 0.6927 0.7543 0.7543 3.8786 3.8786 4.2114 4.2114 4.2829 4.2829 k = 0.0000 0.0000 0.1284 ( 7368 PWs) bands (ev): -10.5942 -10.5942 -10.5849 -10.5849 -2.8702 -2.8702 -2.8205 -2.8205 -1.6599 -1.6599 -1.6011 -1.6011 -1.3418 -1.3418 -1.3396 -1.3396 -1.0047 -1.0047 -1.0027 -1.0027 -0.9264 -0.9264 -0.8752 -0.8752 -0.6892 -0.6892 -0.6739 -0.6739 -0.5733 -0.5733 -0.4778 -0.4778 0.7066 0.7066 0.7557 0.7557 3.9099 3.9099 4.1924 4.1924 4.2871 4.2871 k = 0.0000 0.0000 0.1383 ( 7358 PWs) bands (ev): -10.5931 -10.5931 -10.5861 -10.5861 -2.8643 -2.8643 -2.8267 -2.8267 -1.6533 -1.6533 -1.6087 -1.6087 -1.3414 -1.3414 -1.3398 -1.3398 -1.0044 -1.0044 -1.0029 -1.0029 -0.9204 -0.9204 -0.8816 -0.8816 -0.6872 -0.6872 -0.6758 -0.6758 -0.5635 -0.5635 -0.4916 -0.4916 0.7191 0.7191 0.7558 0.7558 3.9435 3.9435 4.1659 4.1659 4.2918 4.2918 k = 0.0000 0.0000 0.1482 ( 7352 PWs) bands (ev): -10.5919 -10.5919 -10.5872 -10.5872 -2.8582 -2.8582 -2.8330 -2.8330 -1.6463 -1.6463 -1.6164 -1.6164 -1.3410 -1.3410 -1.3399 -1.3399 -1.0040 -1.0040 -1.0030 -1.0030 -0.9141 -0.9141 -0.8881 -0.8881 -0.6853 -0.6853 -0.6776 -0.6776 -0.5531 -0.5531 -0.5050 -0.5050 0.7299 0.7299 0.7543 0.7543 3.9792 3.9792 4.1326 4.1326 4.2972 4.2972 k = 0.0000 0.0000 0.1581 ( 7358 PWs) bands (ev): -10.5908 -10.5908 -10.5884 -10.5884 -2.8520 -2.8520 -2.8393 -2.8393 -1.6391 -1.6391 -1.6241 -1.6241 -1.3407 -1.3407 -1.3402 -1.3402 -1.0038 -1.0038 -1.0033 -1.0033 -0.9077 -0.9077 -0.8947 -0.8947 -0.6833 -0.6833 -0.6795 -0.6795 -0.5420 -0.5420 -0.5179 -0.5179 0.7388 0.7388 0.7510 0.7510 4.0168 4.0168 4.0950 4.0950 4.3039 4.3039 k = 0.0000 0.0000 0.1679 ( 7346 PWs) bands (ev): -10.5896 -10.5896 -10.5896 -10.5896 -2.8457 -2.8457 -2.8457 -2.8457 -1.6316 -1.6316 -1.6316 -1.6316 -1.3404 -1.3404 -1.3404 -1.3404 -1.0035 -1.0035 -1.0035 -1.0035 -0.9012 -0.9012 -0.9012 -0.9012 -0.6814 -0.6814 -0.6814 -0.6814 -0.5303 -0.5303 -0.5303 -0.5303 0.7459 0.7459 0.7459 0.7459 4.0557 4.0557 4.0557 4.0557 4.3125 4.3125 k = 0.0000 0.0000 0.1679 ( 7346 PWs) bands (ev): -10.5896 -10.5896 -10.5896 -10.5896 -2.8457 -2.8457 -2.8457 -2.8457 -1.6316 -1.6316 -1.6316 -1.6316 -1.3404 -1.3404 -1.3404 -1.3404 -1.0035 -1.0035 -1.0035 -1.0035 -0.9012 -0.9012 -0.9012 -0.9012 -0.6814 -0.6814 -0.6814 -0.6814 -0.5303 -0.5303 -0.5303 -0.5303 0.7459 0.7459 0.7459 0.7459 4.0557 4.0557 4.0557 4.0557 4.3125 4.3125 k = 0.0100-0.0000 0.1679 ( 7362 PWs) bands (ev): -10.5884 -10.5884 -10.5881 -10.5881 -2.8446 -2.8446 -2.8441 -2.8441 -1.6318 -1.6318 -1.6299 -1.6299 -1.3409 -1.3409 -1.3397 -1.3397 -1.0047 -1.0047 -1.0037 -1.0037 -0.9029 -0.9029 -0.8993 -0.8993 -0.6833 -0.6833 -0.6802 -0.6802 -0.5327 -0.5327 -0.5264 -0.5264 0.7472 0.7472 0.7479 0.7479 4.0509 4.0509 4.0544 4.0544 4.3001 4.3001 k = 0.0200-0.0000 0.1679 ( 7366 PWs) bands (ev): -10.5846 -10.5846 -10.5841 -10.5841 -2.8409 -2.8409 -2.8399 -2.8399 -1.6304 -1.6304 -1.6266 -1.6266 -1.3410 -1.3410 -1.3389 -1.3389 -1.0071 -1.0071 -1.0053 -1.0053 -0.9042 -0.9042 -0.8970 -0.8970 -0.6857 -0.6857 -0.6798 -0.6798 -0.5336 -0.5336 -0.5212 -0.5212 0.7518 0.7518 0.7533 0.7533 4.0366 4.0366 4.0451 4.0451 4.2713 4.2713 k = 0.0300-0.0000 0.1679 ( 7374 PWs) bands (ev): -10.5783 -10.5783 -10.5775 -10.5775 -2.8345 -2.8345 -2.8330 -2.8330 -1.6275 -1.6275 -1.6218 -1.6218 -1.3408 -1.3408 -1.3379 -1.3379 -1.0107 -1.0107 -1.0082 -1.0082 -0.9054 -0.9054 -0.8944 -0.8944 -0.6884 -0.6884 -0.6803 -0.6803 -0.5329 -0.5329 -0.5149 -0.5149 0.7597 0.7597 0.7619 0.7619 4.0035 4.0035 4.0198 4.0198 4.2372 4.2372 k = 0.0400-0.0000 0.1679 ( 7370 PWs) bands (ev): -10.5693 -10.5693 -10.5682 -10.5682 -2.8254 -2.8254 -2.8234 -2.8234 -1.6230 -1.6230 -1.6153 -1.6153 -1.3403 -1.3403 -1.3369 -1.3369 -1.0154 -1.0154 -1.0124 -1.0124 -0.9066 -0.9066 -0.8914 -0.8914 -0.6913 -0.6913 -0.6817 -0.6817 -0.5305 -0.5305 -0.5074 -0.5074 0.7709 0.7709 0.7738 0.7738 3.9392 3.9392 3.9650 3.9650 4.2128 4.2128 k = 0.0500-0.0000 0.1679 ( 7358 PWs) bands (ev): -10.5578 -10.5578 -10.5564 -10.5564 -2.8138 -2.8138 -2.8113 -2.8113 -1.6170 -1.6170 -1.6074 -1.6074 -1.3393 -1.3393 -1.3360 -1.3360 -1.0208 -1.0208 -1.0179 -1.0179 -0.9078 -0.9078 -0.8882 -0.8882 -0.6942 -0.6942 -0.6839 -0.6839 -0.5264 -0.5264 -0.4989 -0.4989 0.7853 0.7853 0.7888 0.7888 3.8406 3.8406 3.8742 3.8742 4.2039 4.2039 k = 0.0600-0.0000 0.1679 ( 7350 PWs) bands (ev): -10.5436 -10.5436 -10.5420 -10.5420 -2.7996 -2.7996 -2.7966 -2.7966 -1.6096 -1.6096 -1.5981 -1.5981 -1.3380 -1.3380 -1.3354 -1.3354 -1.0268 -1.0268 -1.0245 -1.0245 -0.9092 -0.9092 -0.8847 -0.8847 -0.6972 -0.6972 -0.6870 -0.6870 -0.5207 -0.5207 -0.4894 -0.4894 0.8030 0.8030 0.8071 0.8071 3.7143 3.7143 3.7533 3.7533 4.2064 4.2064 k = 0.0700-0.0000 0.1679 ( 7334 PWs) bands (ev): -10.5269 -10.5269 -10.5251 -10.5251 -2.7828 -2.7828 -2.7793 -2.7793 -1.6009 -1.6009 -1.5873 -1.5873 -1.3361 -1.3361 -1.3350 -1.3350 -1.0333 -1.0333 -1.0322 -1.0322 -0.9109 -0.9109 -0.8811 -0.8811 -0.6999 -0.6999 -0.6907 -0.6907 -0.5134 -0.5134 -0.4789 -0.4789 0.8239 0.8239 0.8285 0.8285 3.5677 3.5677 3.6103 3.6103 4.2178 4.2178 k = 0.0800-0.0000 0.1679 ( 7326 PWs) bands (ev): -10.5077 -10.5077 -10.5056 -10.5056 -2.7635 -2.7635 -2.7595 -2.7595 -1.5909 -1.5909 -1.5753 -1.5753 -1.3353 -1.3353 -1.3338 -1.3338 -1.0410 -1.0410 -1.0399 -1.0399 -0.9131 -0.9131 -0.8773 -0.8773 -0.7025 -0.7025 -0.6950 -0.6950 -0.5046 -0.5046 -0.4676 -0.4676 0.8478 0.8478 0.8529 0.8529 3.4061 3.4061 3.4512 3.4512 4.2351 4.2351 k = 0.0900-0.0000 0.1679 ( 7338 PWs) bands (ev): -10.4859 -10.4859 -10.4835 -10.4835 -2.7417 -2.7417 -2.7373 -2.7373 -1.5797 -1.5797 -1.5620 -1.5620 -1.3363 -1.3363 -1.3311 -1.3311 -1.0509 -1.0509 -1.0464 -1.0464 -0.9157 -0.9157 -0.8736 -0.8736 -0.7048 -0.7048 -0.6998 -0.6998 -0.4944 -0.4944 -0.4553 -0.4553 0.8747 0.8747 0.8803 0.8803 3.2331 3.2331 3.2798 3.2798 4.2570 4.2570 k = 0.1000-0.0000 0.1679 ( 7338 PWs) bands (ev): -10.4616 -10.4616 -10.4589 -10.4589 -2.7176 -2.7176 -2.7127 -2.7127 -1.5674 -1.5674 -1.5477 -1.5477 -1.3384 -1.3384 -1.3277 -1.3277 -1.0618 -1.0618 -1.0526 -1.0526 -0.9189 -0.9189 -0.8698 -0.8698 -0.7068 -0.7068 -0.7049 -0.7049 -0.4827 -0.4827 -0.4420 -0.4420 0.9045 0.9045 0.9106 0.9106 3.0519 3.0519 3.0994 3.0994 4.2826 4.2826 k = 0.1100-0.0000 0.1679 ( 7344 PWs) bands (ev): -10.4348 -10.4348 -10.4319 -10.4319 -2.6911 -2.6911 -2.6858 -2.6858 -1.5542 -1.5542 -1.5325 -1.5325 -1.3417 -1.3417 -1.3238 -1.3238 -1.0738 -1.0738 -1.0582 -1.0582 -0.9225 -0.9225 -0.8662 -0.8662 -0.7101 -0.7101 -0.7083 -0.7083 -0.4696 -0.4696 -0.4278 -0.4278 0.9371 0.9371 0.9438 0.9438 2.8648 2.8648 2.9124 2.9124 4.3117 4.3119 k = 0.1200-0.0000 0.1679 ( 7344 PWs) bands (ev): -10.4055 -10.4055 -10.4023 -10.4023 -2.6624 -2.6624 -2.6567 -2.6567 -1.5402 -1.5402 -1.5164 -1.5164 -1.3465 -1.3465 -1.3192 -1.3192 -1.0870 -1.0870 -1.0629 -1.0629 -0.9267 -0.9267 -0.8627 -0.8627 -0.7153 -0.7153 -0.7095 -0.7095 -0.4550 -0.4550 -0.4126 -0.4126 0.9722 0.9722 0.9798 0.9798 2.6740 2.6740 2.7209 2.7209 4.3439 4.3439 k = 0.1300-0.0000 0.1679 ( 7340 PWs) bands (ev): -10.3737 -10.3737 -10.3704 -10.3704 -2.6317 -2.6317 -2.6254 -2.6254 -1.5256 -1.5256 -1.4998 -1.4998 -1.3532 -1.3532 -1.3139 -1.3139 -1.1013 -1.1013 -1.0666 -1.0666 -0.9314 -0.9314 -0.8594 -0.8594 -0.7204 -0.7204 -0.7101 -0.7101 -0.4390 -0.4390 -0.3962 -0.3962 1.0096 1.0096 1.0185 1.0185 2.4814 2.4814 2.5266 2.5266 4.3790 4.3790 k = 0.1400-0.0000 0.1679 ( 7352 PWs) bands (ev): -10.3396 -10.3396 -10.3360 -10.3360 -2.5989 -2.5989 -2.5921 -2.5921 -1.5106 -1.5106 -1.4828 -1.4828 -1.3619 -1.3619 -1.3078 -1.3078 -1.1169 -1.1169 -1.0689 -1.0689 -0.9367 -0.9367 -0.8566 -0.8566 -0.7251 -0.7251 -0.7104 -0.7104 -0.4215 -0.4215 -0.3788 -0.3788 1.0488 1.0488 1.0597 1.0597 2.2888 2.2888 2.3311 2.3311 4.4168 4.4168 k = 0.1500-0.0000 0.1679 ( 7352 PWs) bands (ev): -10.3030 -10.3030 -10.2992 -10.2992 -2.5643 -2.5643 -2.5569 -2.5569 -1.4956 -1.4956 -1.4656 -1.4656 -1.3726 -1.3726 -1.3009 -1.3009 -1.1338 -1.1338 -1.0698 -1.0698 -0.9424 -0.9424 -0.8543 -0.8543 -0.7294 -0.7294 -0.7102 -0.7102 -0.4025 -0.4025 -0.3602 -0.3602 1.0890 1.0890 1.1034 1.1034 2.0984 2.0984 2.1359 2.1359 4.4577 4.4587 k = 0.1600-0.0000 0.1679 ( 7348 PWs) bands (ev): -10.2642 -10.2642 -10.2601 -10.2601 -2.5280 -2.5280 -2.5199 -2.5199 -1.4812 -1.4812 -1.4486 -1.4486 -1.3852 -1.3852 -1.2933 -1.2933 -1.1521 -1.1521 -1.0691 -1.0691 -0.9485 -0.9485 -0.8526 -0.8526 -0.7330 -0.7330 -0.7096 -0.7096 -0.3818 -0.3818 -0.3405 -0.3405 1.1284 1.1284 1.1491 1.1491 1.9131 1.9131 1.9424 1.9424 4.5004 4.5005 k = 0.1700-0.0000 0.1679 ( 7342 PWs) bands (ev): -10.2230 -10.2230 -10.2187 -10.2187 -2.4902 -2.4902 -2.4813 -2.4813 -1.4694 -1.4694 -1.4321 -1.4321 -1.3983 -1.3983 -1.2852 -1.2852 -1.1714 -1.1714 -1.0667 -1.0667 -0.9550 -0.9550 -0.8516 -0.8516 -0.7358 -0.7358 -0.7086 -0.7086 -0.3594 -0.3594 -0.3195 -0.3195 1.1629 1.1629 1.1961 1.1961 1.7382 1.7382 1.7527 1.7527 4.5466 4.5474 k = 0.1800-0.0000 0.1679 ( 7348 PWs) bands (ev): -10.1795 -10.1795 -10.1751 -10.1751 -2.4513 -2.4513 -2.4414 -2.4414 -1.4650 -1.4650 -1.4166 -1.4166 -1.4074 -1.4074 -1.2777 -1.2777 -1.1910 -1.1910 -1.0628 -1.0628 -0.9617 -0.9617 -0.8516 -0.8516 -0.7377 -0.7377 -0.7073 -0.7073 -0.3353 -0.3353 -0.2974 -0.2974 1.1806 1.1806 1.2418 1.2418 1.5703 1.5703 1.5869 1.5869 4.5938 4.5940 k = 0.1900-0.0000 0.1679 ( 7348 PWs) bands (ev): -10.1339 -10.1339 -10.1292 -10.1292 -2.4115 -2.4115 -2.4002 -2.4002 -1.4754 -1.4754 -1.4057 -1.4057 -1.4025 -1.4025 -1.2740 -1.2740 -1.2074 -1.2074 -1.0573 -1.0573 -0.9686 -0.9686 -0.8525 -0.8525 -0.7386 -0.7386 -0.7056 -0.7056 -0.3094 -0.3094 -0.2742 -0.2742 1.1508 1.1508 1.2663 1.2663 1.4164 1.4164 1.4913 1.4913 4.6436 4.6449 k = 0.2000-0.0000 0.1679 ( 7346 PWs) bands (ev): -10.0861 -10.0861 -10.0812 -10.0812 -2.3712 -2.3712 -2.3581 -2.3581 -1.4989 -1.4989 -1.3954 -1.3954 -1.3911 -1.3911 -1.2806 -1.2806 -1.2136 -1.2136 -1.0501 -1.0501 -0.9756 -0.9756 -0.8543 -0.8543 -0.7386 -0.7386 -0.7036 -0.7036 -0.2817 -0.2817 -0.2499 -0.2499 1.0515 1.0515 1.1693 1.1693 1.3924 1.3924 1.4743 1.4743 4.6955 4.6962 k = 0.2100-0.0000 0.1679 ( 7346 PWs) bands (ev): -10.0363 -10.0363 -10.0312 -10.0312 -2.3308 -2.3308 -2.3154 -2.3154 -1.5307 -1.5307 -1.3859 -1.3859 -1.3820 -1.3820 -1.2969 -1.2969 -1.2073 -1.2073 -1.0414 -1.0414 -0.9824 -0.9824 -0.8570 -0.8570 -0.7376 -0.7376 -0.7014 -0.7014 -0.2522 -0.2522 -0.2249 -0.2249 0.9163 0.9163 1.0110 1.0110 1.4392 1.4392 1.5042 1.5042 4.7496 4.7508 k = 0.2200-0.0000 0.1679 ( 7338 PWs) bands (ev): -9.9844 -9.9844 -9.9792 -9.9792 -2.2910 -2.2910 -2.2724 -2.2724 -1.5693 -1.5693 -1.3953 -1.3953 -1.3678 -1.3678 -1.3095 -1.3095 -1.1943 -1.1943 -1.0312 -1.0312 -0.9890 -0.9890 -0.8605 -0.8605 -0.7358 -0.7358 -0.6990 -0.6990 -0.2210 -0.2210 -0.1995 -0.1995 0.7748 0.7748 0.8529 0.8529 1.4968 1.4968 1.5531 1.5531 4.8049 4.8057 k = 0.2300-0.0000 0.1679 ( 7354 PWs) bands (ev): -9.9307 -9.9307 -9.9253 -9.9253 -2.2524 -2.2524 -2.2293 -2.2293 -1.6146 -1.6146 -1.4254 -1.4254 -1.3536 -1.3536 -1.3093 -1.3093 -1.1781 -1.1781 -1.0194 -1.0194 -0.9952 -0.9952 -0.8646 -0.8646 -0.7334 -0.7334 -0.6965 -0.6965 -0.1881 -0.1881 -0.1746 -0.1746 0.6390 0.6390 0.7029 0.7029 1.5585 1.5585 1.6108 1.6108 4.8619 4.8631 k = 0.2400-0.0000 0.1679 ( 7366 PWs) bands (ev): -9.8751 -9.8751 -9.8696 -9.8696 -2.2161 -2.2161 -2.1868 -2.1868 -1.6670 -1.6670 -1.4708 -1.4708 -1.3399 -1.3399 -1.3008 -1.3008 -1.1603 -1.1603 -1.0061 -1.0061 -1.0007 -1.0007 -0.8692 -0.8692 -0.7305 -0.7305 -0.6940 -0.6940 -0.1539 -0.1539 -0.1512 -0.1512 0.5153 0.5153 0.5638 0.5638 1.6230 1.6230 1.6739 1.6739 4.9200 4.9214 k = 0.2500-0.0000 0.1679 ( 7350 PWs) bands (ev): -9.8178 -9.8178 -9.8121 -9.8121 -2.1835 -2.1835 -2.1452 -2.1452 -1.7268 -1.7268 -1.5257 -1.5257 -1.3267 -1.3267 -1.2886 -1.2886 -1.1416 -1.1416 -1.0049 -1.0049 -0.9911 -0.9911 -0.8741 -0.8741 -0.7272 -0.7272 -0.6914 -0.6914 -0.1318 -0.1318 -0.1188 -0.1188 0.4083 0.4083 0.4380 0.4380 1.6898 1.6898 1.7408 1.7408 4.9793 4.9804 k = 0.2600-0.0000 0.1679 ( 7338 PWs) bands (ev): -9.7589 -9.7589 -9.7531 -9.7531 -2.1568 -2.1568 -2.1054 -2.1054 -1.7940 -1.7940 -1.5869 -1.5869 -1.3142 -1.3142 -1.2748 -1.2748 -1.1229 -1.1229 -1.0072 -1.0072 -0.9746 -0.9746 -0.8790 -0.8790 -0.7238 -0.7238 -0.6889 -0.6889 -0.1197 -0.1197 -0.0841 -0.0841 0.3234 0.3234 0.3278 0.3278 1.7585 1.7585 1.8106 1.8106 5.0394 5.0403 k = 0.2700-0.0000 0.1679 ( 7344 PWs) bands (ev): -9.6986 -9.6986 -9.6927 -9.6927 -2.1397 -2.1397 -2.0693 -2.0693 -1.8677 -1.8677 -1.6506 -1.6506 -1.3027 -1.3027 -1.2600 -1.2600 -1.1052 -1.1052 -1.0065 -1.0065 -0.9570 -0.9570 -0.8838 -0.8838 -0.7202 -0.7202 -0.6866 -0.6866 -0.1196 -0.1196 -0.0526 -0.0526 0.2369 0.2369 0.2661 0.2661 1.8290 1.8290 1.8828 1.8828 5.0991 5.1003 k = 0.2800-0.0000 0.1679 ( 7336 PWs) bands (ev): -9.6369 -9.6369 -9.6310 -9.6310 -2.1379 -2.1379 -2.0453 -2.0453 -1.9393 -1.9393 -1.7107 -1.7107 -1.2920 -1.2920 -1.2450 -1.2450 -1.0900 -1.0900 -1.0010 -1.0010 -0.9387 -0.9387 -0.8877 -0.8877 -0.7168 -0.7168 -0.6845 -0.6845 -0.1338 -0.1338 -0.0316 -0.0316 0.1731 0.1731 0.2390 0.2390 1.9010 1.9010 1.9571 1.9571 5.1589 5.1599 k = 0.2900-0.0000 0.1679 ( 7326 PWs) bands (ev): -9.5741 -9.5741 -9.5681 -9.5681 -2.1592 -2.1592 -2.0794 -2.0794 -1.9630 -1.9630 -1.7586 -1.7586 -1.2823 -1.2823 -1.2302 -1.2302 -1.0785 -1.0785 -0.9889 -0.9889 -0.9224 -0.9224 -0.8883 -0.8883 -0.7134 -0.7134 -0.6827 -0.6827 -0.1586 -0.1586 -0.0340 -0.0340 0.1496 0.1496 0.2384 0.2384 1.9742 1.9742 2.0330 2.0330 5.2184 5.2191 k = 0.3000-0.0000 0.1679 ( 7312 PWs) bands (ev): -9.5104 -9.5104 -9.5043 -9.5043 -2.2094 -2.2094 -2.1686 -2.1686 -1.9412 -1.9412 -1.7879 -1.7879 -1.2736 -1.2736 -1.2164 -1.2164 -1.0708 -1.0708 -0.9701 -0.9701 -0.9143 -0.9143 -0.8796 -0.8796 -0.7100 -0.7100 -0.6812 -0.6812 -0.1868 -0.1868 -0.0583 -0.0583 0.1645 0.1645 0.2563 0.2563 2.0484 2.0484 2.1103 2.1103 5.2765 5.2771 k = 0.3100-0.0000 0.1679 ( 7308 PWs) bands (ev): -9.4458 -9.4458 -9.4397 -9.4397 -2.2863 -2.2863 -2.2724 -2.2724 -1.9136 -1.9136 -1.7993 -1.7993 -1.2657 -1.2657 -1.2043 -1.2043 -1.0653 -1.0653 -0.9460 -0.9460 -0.9149 -0.9149 -0.8615 -0.8615 -0.7067 -0.7067 -0.6801 -0.6801 -0.2121 -0.2121 -0.0863 -0.0863 0.1990 0.1990 0.2858 0.2858 2.1232 2.1232 2.1886 2.1886 5.3318 5.3327 k = 0.3200-0.0000 0.1679 ( 7300 PWs) bands (ev): -9.3808 -9.3808 -9.3747 -9.3747 -2.3828 -2.3828 -2.3820 -2.3820 -1.8869 -1.8869 -1.7992 -1.7992 -1.2588 -1.2588 -1.1943 -1.1943 -1.0604 -1.0604 -0.9183 -0.9183 -0.9182 -0.9182 -0.8406 -0.8406 -0.7033 -0.7033 -0.6792 -0.6792 -0.2310 -0.2310 -0.1075 -0.1075 0.2417 0.2417 0.3225 0.3225 2.1982 2.1982 2.2674 2.2674 5.3840 5.3847 k = 0.3300-0.0000 0.1679 ( 7296 PWs) bands (ev): -9.3154 -9.3154 -9.3094 -9.3094 -2.4974 -2.4974 -2.4893 -2.4893 -1.8623 -1.8623 -1.7931 -1.7931 -1.2527 -1.2527 -1.1869 -1.1869 -1.0551 -1.0551 -0.9223 -0.9223 -0.8884 -0.8884 -0.8199 -0.8199 -0.6995 -0.6995 -0.6784 -0.6784 -0.2418 -0.2418 -0.1185 -0.1185 0.2884 0.2884 0.3637 0.3637 2.2729 2.2729 2.3463 2.3463 5.4308 5.4314 k = 0.3400-0.0000 0.1679 ( 7294 PWs) bands (ev): -9.2501 -9.2501 -9.2441 -9.2441 -2.6142 -2.6142 -2.6031 -2.6031 -1.8403 -1.8403 -1.7846 -1.7846 -1.2475 -1.2475 -1.1821 -1.1821 -1.0491 -1.0491 -0.9263 -0.9263 -0.8584 -0.8584 -0.8008 -0.8008 -0.6950 -0.6950 -0.6775 -0.6775 -0.2437 -0.2437 -0.1189 -0.1189 0.3372 0.3372 0.4079 0.4079 2.3468 2.3468 2.4246 2.4246 5.4160 5.4160 k = 0.3500-0.0000 0.1679 ( 7298 PWs) bands (ev): -9.1851 -9.1851 -9.1792 -9.1792 -2.7318 -2.7318 -2.7199 -2.7199 -1.8208 -1.8208 -1.7754 -1.7754 -1.2429 -1.2429 -1.1795 -1.1795 -1.0423 -1.0423 -0.9302 -0.9302 -0.8296 -0.8296 -0.7843 -0.7843 -0.6895 -0.6895 -0.6762 -0.6762 -0.2364 -0.2364 -0.1090 -0.1090 0.3873 0.3873 0.4539 0.4539 2.4190 2.4190 2.5016 2.5016 5.2797 5.2797 k = 0.3600-0.0000 0.1679 ( 7304 PWs) bands (ev): -9.1208 -9.1208 -9.1150 -9.1150 -2.8487 -2.8487 -2.8372 -2.8372 -1.8038 -1.8038 -1.7667 -1.7667 -1.2390 -1.2390 -1.1788 -1.1788 -1.0352 -1.0352 -0.9337 -0.9337 -0.8036 -0.8036 -0.7710 -0.7710 -0.6829 -0.6829 -0.6740 -0.6740 -0.2199 -0.2199 -0.0895 -0.0895 0.4379 0.4379 0.5010 0.5010 2.4889 2.4889 2.5764 2.5764 5.1443 5.1443 k = 0.3700-0.0000 0.1679 ( 7304 PWs) bands (ev): -9.0575 -9.0575 -9.0518 -9.0518 -2.9637 -2.9637 -2.9531 -2.9531 -1.7890 -1.7890 -1.7586 -1.7586 -1.2357 -1.2357 -1.1794 -1.1794 -1.0278 -1.0278 -0.9369 -0.9369 -0.7817 -0.7817 -0.7610 -0.7610 -0.6753 -0.6753 -0.6706 -0.6706 -0.1945 -0.1945 -0.0618 -0.0618 0.4886 0.4886 0.5486 0.5486 2.5553 2.5553 2.6479 2.6479 5.0177 5.0177 k = 0.3800-0.0000 0.1679 ( 7288 PWs) bands (ev): -8.9957 -8.9957 -8.9903 -8.9903 -3.0756 -3.0756 -3.0662 -3.0662 -1.7764 -1.7764 -1.7516 -1.7516 -1.2329 -1.2329 -1.1809 -1.1809 -1.0206 -1.0206 -0.9398 -0.9398 -0.7646 -0.7646 -0.7537 -0.7537 -0.6670 -0.6670 -0.6656 -0.6656 -0.1609 -0.1609 -0.0273 -0.0273 0.5389 0.5389 0.5959 0.5959 2.6170 2.6170 2.7146 2.7146 4.9019 4.9019 k = 0.3900-0.0000 0.1679 ( 7296 PWs) bands (ev): -8.9359 -8.9359 -8.9307 -8.9307 -3.1832 -3.1832 -3.1751 -3.1751 -1.7657 -1.7657 -1.7455 -1.7455 -1.2305 -1.2305 -1.1832 -1.1832 -1.0136 -1.0136 -0.9424 -0.9424 -0.7525 -0.7525 -0.7485 -0.7485 -0.6592 -0.6592 -0.6588 -0.6588 -0.1205 -0.1205 0.0125 0.0125 0.5884 0.5884 0.6426 0.6426 2.6728 2.6728 2.7749 2.7749 4.7986 4.7986 k = 0.4000-0.0000 0.1679 ( 7302 PWs) bands (ev): -8.8785 -8.8785 -8.8735 -8.8735 -3.2856 -3.2856 -3.2788 -3.2788 -1.7567 -1.7567 -1.7403 -1.7403 -1.2285 -1.2285 -1.1859 -1.1859 -1.0070 -1.0070 -0.9448 -0.9448 -0.7449 -0.7449 -0.7444 -0.7444 -0.6520 -0.6520 -0.6509 -0.6509 -0.0745 -0.0745 0.0558 0.0558 0.6367 0.6367 0.6879 0.6879 2.7213 2.7213 2.8270 2.8270 4.7096 4.7096 k = 0.4100-0.0000 0.1679 ( 7294 PWs) bands (ev): -8.8241 -8.8241 -8.8194 -8.8194 -3.3818 -3.3818 -3.3761 -3.3761 -1.7492 -1.7492 -1.7359 -1.7359 -1.2267 -1.2267 -1.1888 -1.1888 -1.0008 -1.0008 -0.9470 -0.9470 -0.7422 -0.7422 -0.7393 -0.7393 -0.6447 -0.6447 -0.6437 -0.6437 -0.0247 -0.0247 0.1010 0.1010 0.6833 0.6833 0.7314 0.7314 2.7613 2.7613 2.8692 2.8692 4.6346 4.6348 k = 0.4200-0.0000 0.1679 ( 7288 PWs) bands (ev): -8.7732 -8.7732 -8.7689 -8.7689 -3.4708 -3.4708 -3.4662 -3.4662 -1.7429 -1.7429 -1.7322 -1.7322 -1.2251 -1.2251 -1.1918 -1.1918 -0.9951 -0.9951 -0.9489 -0.9489 -0.7402 -0.7402 -0.7362 -0.7362 -0.6378 -0.6378 -0.6373 -0.6373 0.0273 0.0273 0.1463 0.1463 0.7278 0.7278 0.7725 0.7725 2.7920 2.7920 2.8998 2.8998 4.5710 4.5710 k = 0.4300-0.0000 0.1679 ( 7286 PWs) bands (ev): -8.7264 -8.7264 -8.7225 -8.7225 -3.5518 -3.5518 -3.5481 -3.5481 -1.7378 -1.7378 -1.7293 -1.7293 -1.2236 -1.2236 -1.1949 -1.1949 -0.9899 -0.9899 -0.9508 -0.9508 -0.7387 -0.7387 -0.7343 -0.7343 -0.6317 -0.6317 -0.6316 -0.6316 0.0796 0.0796 0.1901 0.1901 0.7697 0.7697 0.8106 0.8106 2.8134 2.8134 2.9180 2.9180 4.5263 4.5263 k = 0.4400-0.0000 0.1679 ( 7282 PWs) bands (ev): -8.6843 -8.6843 -8.6809 -8.6809 -3.6239 -3.6239 -3.6210 -3.6210 -1.7336 -1.7336 -1.7270 -1.7270 -1.2222 -1.2222 -1.1978 -1.1978 -0.9851 -0.9851 -0.9526 -0.9526 -0.7374 -0.7374 -0.7332 -0.7332 -0.6267 -0.6267 -0.6265 -0.6265 0.1308 0.1308 0.2305 0.2305 0.8085 0.8085 0.8450 0.8450 2.8261 2.8261 2.9241 2.9241 4.4999 4.4999 k = 0.4500-0.0000 0.1679 ( 7292 PWs) bands (ev): -8.6474 -8.6474 -8.6445 -8.6445 -3.6864 -3.6864 -3.6842 -3.6842 -1.7303 -1.7303 -1.7252 -1.7252 -1.2208 -1.2208 -1.2008 -1.2008 -0.9808 -0.9808 -0.9544 -0.9544 -0.7364 -0.7364 -0.7327 -0.7327 -0.6226 -0.6226 -0.6221 -0.6221 0.1791 0.1791 0.2662 0.2662 0.8436 0.8436 0.8751 0.8751 2.8319 2.8319 2.9197 2.9197 4.4897 4.4897 k = 0.4600-0.0000 0.1679 ( 7292 PWs) bands (ev): -8.6163 -8.6163 -8.6139 -8.6139 -3.7386 -3.7386 -3.7370 -3.7370 -1.7276 -1.7276 -1.7238 -1.7238 -1.2194 -1.2194 -1.2035 -1.2035 -0.9769 -0.9769 -0.9562 -0.9562 -0.7355 -0.7355 -0.7324 -0.7324 -0.6193 -0.6193 -0.6187 -0.6187 0.2231 0.2231 0.2956 0.2956 0.8743 0.8743 0.9004 0.9004 2.8332 2.8332 2.9076 2.9076 4.4920 4.4920 k = 0.4700-0.0000 0.1679 ( 7300 PWs) bands (ev): -8.5915 -8.5915 -8.5897 -8.5897 -3.7799 -3.7799 -3.7787 -3.7787 -1.7256 -1.7256 -1.7229 -1.7229 -1.2180 -1.2180 -1.2061 -1.2061 -0.9734 -0.9734 -0.9582 -0.9582 -0.7348 -0.7348 -0.7324 -0.7324 -0.6167 -0.6167 -0.6162 -0.6162 0.2614 0.2614 0.3175 0.3175 0.9000 0.9000 0.9200 0.9200 2.8328 2.8328 2.8911 2.8911 4.5021 4.5021 k = 0.4800-0.0000 0.1679 ( 7300 PWs) bands (ev): -8.5734 -8.5734 -8.5722 -8.5722 -3.8097 -3.8097 -3.8089 -3.8089 -1.7241 -1.7241 -1.7223 -1.7223 -1.2164 -1.2164 -1.2085 -1.2085 -0.9702 -0.9702 -0.9602 -0.9602 -0.7341 -0.7341 -0.7325 -0.7325 -0.6149 -0.6149 -0.6145 -0.6145 0.2926 0.2926 0.3309 0.3309 0.9199 0.9199 0.9336 0.9336 2.8334 2.8334 2.8734 2.8734 4.5149 4.5149 k = 0.4900-0.0000 0.1679 ( 7280 PWs) bands (ev): -8.5623 -8.5623 -8.5616 -8.5616 -3.8277 -3.8277 -3.8273 -3.8273 -1.7230 -1.7230 -1.7221 -1.7221 -1.2146 -1.2146 -1.2107 -1.2107 -0.9673 -0.9673 -0.9623 -0.9623 -0.7335 -0.7335 -0.7327 -0.7327 -0.6136 -0.6136 -0.6134 -0.6134 0.3158 0.3158 0.3352 0.3352 0.9336 0.9336 0.9405 0.9405 2.8370 2.8370 2.8573 2.8573 4.5257 4.5257 k = 0.5000-0.0000 0.1679 ( 7280 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2127 -1.2127 -1.2127 -1.2127 -0.9647 -0.9647 -0.9647 -0.9647 -0.7331 -0.7331 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3302 0.3302 0.3302 0.3302 0.9405 0.9405 0.9405 0.9405 2.8449 2.8449 2.8449 2.8449 4.5313 4.5313 k = 0.5000-0.0000 0.1679 ( 7280 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2127 -1.2127 -1.2127 -1.2127 -0.9647 -0.9647 -0.9647 -0.9647 -0.7331 -0.7331 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3302 0.3302 0.3302 0.3302 0.9405 0.9405 0.9405 0.9405 2.8449 2.8449 2.8449 2.8449 4.5313 4.5313 k = 0.5000 0.0099 0.1679 ( 7288 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7222 -1.7222 -1.7222 -1.7222 -1.2127 -1.2127 -1.2127 -1.2127 -0.9647 -0.9647 -0.9647 -0.9647 -0.7331 -0.7331 -0.7331 -0.7331 -0.6133 -0.6133 -0.6133 -0.6133 0.3293 0.3293 0.3293 0.3293 0.9403 0.9403 0.9403 0.9403 2.8430 2.8430 2.8430 2.8430 4.5344 4.5344 k = 0.5000 0.0198 0.1679 ( 7292 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8332 -3.8332 -3.8332 -3.8332 -1.7215 -1.7215 -1.7215 -1.7215 -1.2127 -1.2127 -1.2127 -1.2127 -0.9648 -0.9648 -0.9648 -0.9648 -0.7332 -0.7332 -0.7332 -0.7332 -0.6138 -0.6138 -0.6138 -0.6138 0.3266 0.3266 0.3266 0.3266 0.9397 0.9397 0.9397 0.9397 2.8375 2.8375 2.8375 2.8375 4.5435 4.5435 k = 0.5000 0.0297 0.1679 ( 7292 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8327 -3.8327 -3.8327 -3.8327 -1.7206 -1.7206 -1.7206 -1.7206 -1.2126 -1.2126 -1.2126 -1.2126 -0.9648 -0.9648 -0.9648 -0.9648 -0.7333 -0.7333 -0.7333 -0.7333 -0.6144 -0.6144 -0.6144 -0.6144 0.3222 0.3222 0.3222 0.3222 0.9387 0.9387 0.9387 0.9387 2.8284 2.8284 2.8284 2.8284 4.5585 4.5585 k = 0.5000 0.0397 0.1679 ( 7292 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8320 -3.8320 -3.8320 -3.8320 -1.7192 -1.7192 -1.7192 -1.7192 -1.2125 -1.2125 -1.2125 -1.2125 -0.9649 -0.9649 -0.9649 -0.9649 -0.7335 -0.7335 -0.7335 -0.7335 -0.6153 -0.6153 -0.6153 -0.6153 0.3162 0.3162 0.3162 0.3162 0.9373 0.9373 0.9373 0.9373 2.8162 2.8162 2.8162 2.8162 4.5792 4.5792 k = 0.5000 0.0496 0.1679 ( 7308 PWs) bands (ev): -8.5582 -8.5582 -8.5582 -8.5582 -3.8312 -3.8312 -3.8312 -3.8312 -1.7175 -1.7175 -1.7175 -1.7175 -1.2125 -1.2125 -1.2125 -1.2125 -0.9650 -0.9650 -0.9650 -0.9650 -0.7337 -0.7337 -0.7337 -0.7337 -0.6165 -0.6165 -0.6165 -0.6165 0.3087 0.3087 0.3087 0.3087 0.9356 0.9356 0.9356 0.9356 2.8012 2.8012 2.8012 2.8012 4.6054 4.6054 k = 0.5000 0.0595 0.1679 ( 7312 PWs) bands (ev): -8.5582 -8.5582 -8.5582 -8.5582 -3.8303 -3.8303 -3.8303 -3.8303 -1.7154 -1.7154 -1.7154 -1.7154 -1.2124 -1.2124 -1.2124 -1.2124 -0.9651 -0.9651 -0.9651 -0.9651 -0.7339 -0.7339 -0.7339 -0.7339 -0.6179 -0.6179 -0.6179 -0.6179 0.2998 0.2998 0.2998 0.2998 0.9336 0.9336 0.9336 0.9336 2.7839 2.7839 2.7839 2.7839 4.6366 4.6366 k = 0.5000 0.0694 0.1679 ( 7312 PWs) bands (ev): -8.5582 -8.5582 -8.5582 -8.5582 -3.8292 -3.8292 -3.8292 -3.8292 -1.7130 -1.7130 -1.7130 -1.7130 -1.2122 -1.2122 -1.2122 -1.2122 -0.9653 -0.9653 -0.9653 -0.9653 -0.7342 -0.7342 -0.7342 -0.7342 -0.6194 -0.6194 -0.6194 -0.6194 0.2897 0.2897 0.2897 0.2897 0.9314 0.9314 0.9314 0.9314 2.7647 2.7647 2.7647 2.7647 4.6725 4.6725 k = 0.5000 0.0793 0.1679 ( 7312 PWs) bands (ev): -8.5581 -8.5581 -8.5581 -8.5581 -3.8280 -3.8280 -3.8280 -3.8279 -1.7104 -1.7104 -1.7104 -1.7104 -1.2121 -1.2121 -1.2121 -1.2121 -0.9654 -0.9654 -0.9654 -0.9654 -0.7345 -0.7345 -0.7345 -0.7345 -0.6211 -0.6211 -0.6211 -0.6211 0.2786 0.2786 0.2786 0.2786 0.9291 0.9291 0.9291 0.9291 2.7442 2.7442 2.7442 2.7442 4.7126 4.7126 k = 0.5000 0.0892 0.1679 ( 7312 PWs) bands (ev): -8.5581 -8.5581 -8.5581 -8.5581 -3.8266 -3.8266 -3.8266 -3.8266 -1.7076 -1.7076 -1.7076 -1.7076 -1.2119 -1.2119 -1.2119 -1.2119 -0.9656 -0.9656 -0.9656 -0.9656 -0.7349 -0.7349 -0.7349 -0.7349 -0.6229 -0.6229 -0.6229 -0.6229 0.2667 0.2667 0.2667 0.2667 0.9266 0.9266 0.9266 0.9266 2.7228 2.7228 2.7228 2.7228 4.7562 4.7562 k = 0.5000 0.0991 0.1679 ( 7312 PWs) bands (ev): -8.5580 -8.5580 -8.5580 -8.5580 -3.8253 -3.8253 -3.8253 -3.8253 -1.7046 -1.7046 -1.7046 -1.7046 -1.2117 -1.2117 -1.2117 -1.2117 -0.9657 -0.9657 -0.9657 -0.9657 -0.7352 -0.7352 -0.7352 -0.7352 -0.6248 -0.6248 -0.6248 -0.6248 0.2542 0.2542 0.2542 0.2542 0.9241 0.9241 0.9241 0.9241 2.7011 2.7011 2.7011 2.7011 4.8028 4.8028 k = 0.5000 0.1090 0.1679 ( 7316 PWs) bands (ev): -8.5580 -8.5580 -8.5580 -8.5580 -3.8239 -3.8239 -3.8239 -3.8239 -1.7015 -1.7015 -1.7015 -1.7015 -1.2115 -1.2115 -1.2115 -1.2115 -0.9659 -0.9659 -0.9659 -0.9659 -0.7357 -0.7357 -0.7357 -0.7357 -0.6267 -0.6267 -0.6267 -0.6267 0.2414 0.2414 0.2414 0.2414 0.9216 0.9216 0.9216 0.9216 2.6795 2.6795 2.6795 2.6795 4.8516 4.8516 k = 0.5000 0.1190 0.1679 ( 7308 PWs) bands (ev): -8.5579 -8.5579 -8.5579 -8.5579 -3.8224 -3.8224 -3.8224 -3.8224 -1.6983 -1.6983 -1.6983 -1.6983 -1.2113 -1.2113 -1.2113 -1.2113 -0.9660 -0.9660 -0.9660 -0.9660 -0.7361 -0.7361 -0.7361 -0.7361 -0.6286 -0.6286 -0.6286 -0.6286 0.2286 0.2286 0.2286 0.2286 0.9192 0.9192 0.9192 0.9192 2.6583 2.6583 2.6583 2.6583 4.9018 4.9018 k = 0.5000 0.1289 0.1679 ( 7296 PWs) bands (ev): -8.5579 -8.5579 -8.5579 -8.5579 -3.8210 -3.8210 -3.8210 -3.8210 -1.6951 -1.6951 -1.6951 -1.6951 -1.2110 -1.2110 -1.2110 -1.2110 -0.9661 -0.9661 -0.9661 -0.9661 -0.7365 -0.7365 -0.7365 -0.7365 -0.6305 -0.6305 -0.6305 -0.6305 0.2159 0.2159 0.2159 0.2159 0.9168 0.9168 0.9168 0.9168 2.6379 2.6379 2.6379 2.6379 4.9526 4.9526 k = 0.5000 0.1388 0.1679 ( 7308 PWs) bands (ev): -8.5578 -8.5578 -8.5578 -8.5578 -3.8196 -3.8196 -3.8196 -3.8196 -1.6920 -1.6920 -1.6920 -1.6920 -1.2109 -1.2109 -1.2109 -1.2109 -0.9664 -0.9664 -0.9664 -0.9664 -0.7370 -0.7370 -0.7370 -0.7370 -0.6324 -0.6324 -0.6324 -0.6324 0.2035 0.2035 0.2035 0.2035 0.9146 0.9146 0.9146 0.9146 2.6186 2.6186 2.6186 2.6186 5.0030 5.0030 k = 0.5000 0.1487 0.1679 ( 7296 PWs) bands (ev): -8.5578 -8.5578 -8.5578 -8.5578 -3.8183 -3.8183 -3.8183 -3.8183 -1.6890 -1.6890 -1.6890 -1.6890 -1.2107 -1.2107 -1.2107 -1.2107 -0.9665 -0.9665 -0.9665 -0.9665 -0.7374 -0.7374 -0.7374 -0.7374 -0.6341 -0.6341 -0.6341 -0.6341 0.1918 0.1918 0.1918 0.1918 0.9125 0.9125 0.9125 0.9125 2.6008 2.6008 2.6008 2.6008 5.0522 5.0522 k = 0.5000 0.1586 0.1679 ( 7304 PWs) bands (ev): -8.5577 -8.5577 -8.5577 -8.5577 -3.8171 -3.8171 -3.8171 -3.8171 -1.6862 -1.6862 -1.6862 -1.6862 -1.2105 -1.2105 -1.2105 -1.2105 -0.9667 -0.9667 -0.9667 -0.9667 -0.7378 -0.7378 -0.7378 -0.7378 -0.6357 -0.6357 -0.6357 -0.6357 0.1809 0.1809 0.1809 0.1809 0.9106 0.9106 0.9106 0.9106 2.5845 2.5845 2.5845 2.5845 5.0990 5.0990 k = 0.5000 0.1685 0.1679 ( 7296 PWs) bands (ev): -8.5577 -8.5577 -8.5577 -8.5577 -3.8160 -3.8160 -3.8160 -3.8160 -1.6837 -1.6837 -1.6837 -1.6837 -1.2104 -1.2104 -1.2104 -1.2104 -0.9668 -0.9668 -0.9668 -0.9668 -0.7382 -0.7382 -0.7382 -0.7382 -0.6372 -0.6372 -0.6372 -0.6372 0.1711 0.1711 0.1711 0.1711 0.9089 0.9089 0.9089 0.9089 2.5701 2.5701 2.5701 2.5701 5.1424 5.1424 k = 0.5000 0.1784 0.1679 ( 7300 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8150 -3.8150 -3.8150 -3.8150 -1.6814 -1.6814 -1.6814 -1.6814 -1.2102 -1.2102 -1.2102 -1.2102 -0.9670 -0.9670 -0.9670 -0.9670 -0.7386 -0.7386 -0.7386 -0.7386 -0.6385 -0.6385 -0.6385 -0.6385 0.1624 0.1624 0.1624 0.1624 0.9074 0.9074 0.9074 0.9074 2.5576 2.5576 2.5576 2.5576 5.1814 5.1814 k = 0.5000 0.1883 0.1679 ( 7320 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8141 -3.8141 -3.8141 -3.8141 -1.6795 -1.6795 -1.6795 -1.6795 -1.2101 -1.2101 -1.2101 -1.2101 -0.9671 -0.9671 -0.9671 -0.9671 -0.7389 -0.7389 -0.7389 -0.7389 -0.6396 -0.6396 -0.6396 -0.6396 0.1551 0.1551 0.1551 0.1551 0.9062 0.9062 0.9062 0.9062 2.5472 2.5472 2.5472 2.5472 5.2149 5.2149 k = 0.5000 0.1983 0.1679 ( 7312 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8135 -3.8135 -3.8135 -3.8135 -1.6780 -1.6780 -1.6780 -1.6780 -1.2100 -1.2100 -1.2100 -1.2100 -0.9672 -0.9672 -0.9672 -0.9672 -0.7391 -0.7391 -0.7391 -0.7391 -0.6404 -0.6404 -0.6404 -0.6404 0.1493 0.1493 0.1493 0.1493 0.9052 0.9052 0.9052 0.9052 2.5391 2.5391 2.5391 2.5391 5.2421 5.2421 k = 0.5000 0.2082 0.1679 ( 7316 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8130 -3.8130 -3.8130 -3.8130 -1.6769 -1.6769 -1.6769 -1.6769 -1.2100 -1.2100 -1.2100 -1.2100 -0.9673 -0.9673 -0.9673 -0.9673 -0.7393 -0.7393 -0.7393 -0.7393 -0.6410 -0.6410 -0.6410 -0.6410 0.1450 0.1450 0.1450 0.1450 0.9045 0.9045 0.9045 0.9045 2.5332 2.5332 2.5332 2.5332 5.2622 5.2622 k = 0.5000 0.2181 0.1679 ( 7320 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6762 -1.6762 -1.6762 -1.6762 -1.2100 -1.2100 -1.2100 -1.2100 -0.9673 -0.9673 -0.9673 -0.9673 -0.7394 -0.7394 -0.7394 -0.7394 -0.6414 -0.6414 -0.6414 -0.6414 0.1424 0.1424 0.1424 0.1424 0.9041 0.9041 0.9041 0.9041 2.5296 2.5296 2.5296 2.5296 5.2745 5.2745 k = 0.5000 0.2280 0.1679 ( 7304 PWs) bands (ev): -8.5575 -8.5575 -8.5575 -8.5575 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2099 -1.2099 -1.2099 -1.2099 -0.9672 -0.9672 -0.9672 -0.9672 -0.7395 -0.7395 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1416 0.1416 0.1416 0.1416 0.9039 0.9039 0.9039 0.9039 2.5284 2.5284 2.5284 2.5284 5.2786 5.2786 k = 0.5000 0.2280 0.1679 ( 7304 PWs) bands (ev): -8.5575 -8.5575 -8.5575 -8.5575 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2099 -1.2099 -1.2099 -1.2099 -0.9672 -0.9672 -0.9672 -0.9672 -0.7395 -0.7395 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1416 0.1416 0.1416 0.1416 0.9039 0.9039 0.9039 0.9039 2.5284 2.5284 2.5284 2.5284 5.2786 5.2786 k = 0.4900 0.2280 0.1679 ( 7308 PWs) bands (ev): -8.5615 -8.5615 -8.5609 -8.5609 -3.8069 -3.8069 -3.8062 -3.8062 -1.6766 -1.6766 -1.6760 -1.6760 -1.2118 -1.2118 -1.2078 -1.2078 -0.9696 -0.9696 -0.9652 -0.9652 -0.7400 -0.7400 -0.7390 -0.7390 -0.6422 -0.6422 -0.6414 -0.6414 0.1273 0.1273 0.1447 0.1447 0.8984 0.8984 0.9044 0.9044 2.5274 2.5274 2.5420 2.5420 5.2760 5.2774 k = 0.4800 0.2280 0.1679 ( 7316 PWs) bands (ev): -8.5726 -8.5726 -8.5713 -8.5713 -3.7891 -3.7891 -3.7877 -3.7877 -1.6780 -1.6780 -1.6770 -1.6770 -1.2136 -1.2136 -1.2056 -1.2056 -0.9724 -0.9724 -0.9633 -0.9633 -0.7404 -0.7404 -0.7385 -0.7385 -0.6435 -0.6435 -0.6420 -0.6420 0.1023 0.1023 0.1365 0.1365 0.8879 0.8879 0.8996 0.8996 2.5386 2.5386 2.5675 2.5675 5.2698 5.2699 k = 0.4700 0.2280 0.1679 ( 7308 PWs) bands (ev): -8.5906 -8.5906 -8.5888 -8.5888 -3.7595 -3.7595 -3.7574 -3.7574 -1.6801 -1.6801 -1.6787 -1.6787 -1.2152 -1.2152 -1.2032 -1.2032 -0.9754 -0.9754 -0.9617 -0.9617 -0.7409 -0.7409 -0.7381 -0.7381 -0.6453 -0.6453 -0.6431 -0.6431 0.0680 0.0680 0.1175 0.1175 0.8728 0.8728 0.8896 0.8896 2.5613 2.5613 2.6036 2.6036 5.2601 5.2601 k = 0.4600 0.2280 0.1679 ( 7308 PWs) bands (ev): -8.6153 -8.6153 -8.6129 -8.6129 -3.7186 -3.7186 -3.7156 -3.7156 -1.6831 -1.6831 -1.6814 -1.6814 -1.2168 -1.2168 -1.2005 -1.2005 -0.9789 -0.9789 -0.9601 -0.9601 -0.7414 -0.7414 -0.7377 -0.7377 -0.6478 -0.6478 -0.6449 -0.6449 0.0259 0.0259 0.0888 0.0888 0.8533 0.8533 0.8744 0.8744 2.5939 2.5939 2.6488 2.6488 5.2475 5.2475 k = 0.4500 0.2280 0.1679 ( 7308 PWs) bands (ev): -8.6463 -8.6463 -8.6433 -8.6433 -3.6667 -3.6667 -3.6627 -3.6627 -1.6870 -1.6870 -1.6852 -1.6852 -1.2182 -1.2182 -1.1978 -1.1978 -0.9829 -0.9829 -0.9586 -0.9586 -0.7419 -0.7419 -0.7375 -0.7375 -0.6507 -0.6507 -0.6475 -0.6475 -0.0224 -0.0224 0.0520 0.0520 0.8296 0.8296 0.8542 0.8542 2.6343 2.6343 2.7006 2.7006 5.2329 5.2329 k = 0.4400 0.2280 0.1679 ( 7300 PWs) bands (ev): -8.6830 -8.6830 -8.6796 -8.6796 -3.6046 -3.6046 -3.5994 -3.5994 -1.6918 -1.6918 -1.6901 -1.6901 -1.2197 -1.2197 -1.1949 -1.1949 -0.9873 -0.9873 -0.9571 -0.9571 -0.7424 -0.7424 -0.7375 -0.7375 -0.6543 -0.6543 -0.6508 -0.6508 -0.0749 -0.0749 0.0089 0.0089 0.8021 0.8021 0.8295 0.8295 2.6802 2.6802 2.7566 2.7566 5.2181 5.2181 k = 0.4300 0.2280 0.1679 ( 7320 PWs) bands (ev): -8.7250 -8.7250 -8.7211 -8.7211 -3.5329 -3.5329 -3.5264 -3.5264 -1.6979 -1.6979 -1.6965 -1.6965 -1.2212 -1.2212 -1.1920 -1.1920 -0.9924 -0.9924 -0.9557 -0.9557 -0.7431 -0.7431 -0.7382 -0.7382 -0.6585 -0.6585 -0.6549 -0.6549 -0.1296 -0.1296 -0.0388 -0.0388 0.7710 0.7710 0.8006 0.8006 2.7291 2.7291 2.8141 2.8141 5.2050 5.2050 k = 0.4200 0.2280 0.1679 ( 7316 PWs) bands (ev): -8.7716 -8.7716 -8.7673 -8.7673 -3.4524 -3.4524 -3.4443 -3.4443 -1.7052 -1.7052 -1.7045 -1.7045 -1.2228 -1.2228 -1.1889 -1.1889 -0.9980 -0.9980 -0.9541 -0.9541 -0.7438 -0.7438 -0.7397 -0.7397 -0.6633 -0.6633 -0.6598 -0.6598 -0.1844 -0.1844 -0.0890 -0.0890 0.7367 0.7367 0.7680 0.7680 2.7781 2.7781 2.8703 2.8703 5.1961 5.1961 k = 0.4100 0.2280 0.1679 ( 7320 PWs) bands (ev): -8.8223 -8.8223 -8.8177 -8.8177 -3.3640 -3.3640 -3.3541 -3.3541 -1.7144 -1.7144 -1.7141 -1.7141 -1.2245 -1.2245 -1.1860 -1.1860 -1.0042 -1.0042 -0.9523 -0.9523 -0.7450 -0.7450 -0.7430 -0.7430 -0.6686 -0.6686 -0.6653 -0.6653 -0.2372 -0.2372 -0.1397 -0.1397 0.6994 0.6994 0.7322 0.7322 2.8247 2.8247 2.9224 2.9224 5.1937 5.1937 k = 0.4000 0.2280 0.1679 ( 7332 PWs) bands (ev): -8.8766 -8.8766 -8.8716 -8.8716 -3.2686 -3.2686 -3.2565 -3.2565 -1.7263 -1.7263 -1.7246 -1.7246 -1.2265 -1.2265 -1.1833 -1.1833 -1.0110 -1.0110 -0.9503 -0.9503 -0.7492 -0.7492 -0.7468 -0.7468 -0.6745 -0.6745 -0.6710 -0.6710 -0.2857 -0.2857 -0.1891 -0.1891 0.6597 0.6597 0.6938 0.6938 2.8664 2.8664 2.9677 2.9677 5.1996 5.1997 k = 0.3900 0.2280 0.1679 ( 7336 PWs) bands (ev): -8.9338 -8.9338 -8.9285 -8.9285 -3.1672 -3.1672 -3.1526 -3.1526 -1.7406 -1.7406 -1.7371 -1.7371 -1.2288 -1.2288 -1.1809 -1.1809 -1.0184 -1.0184 -0.9480 -0.9480 -0.7598 -0.7598 -0.7497 -0.7497 -0.6808 -0.6808 -0.6762 -0.6762 -0.3276 -0.3276 -0.2352 -0.2352 0.6180 0.6180 0.6532 0.6532 2.9009 2.9009 3.0041 3.0041 5.2144 5.2145 k = 0.3800 0.2280 0.1679 ( 7348 PWs) bands (ev): -8.9935 -8.9935 -8.9880 -8.9880 -3.0608 -3.0608 -3.0433 -3.0433 -1.7575 -1.7575 -1.7518 -1.7518 -1.2314 -1.2314 -1.1791 -1.1791 -1.0263 -1.0263 -0.9453 -0.9453 -0.7760 -0.7760 -0.7545 -0.7545 -0.6871 -0.6871 -0.6801 -0.6801 -0.3610 -0.3610 -0.2760 -0.2760 0.5746 0.5746 0.6109 0.6109 2.9266 2.9266 3.0297 3.0297 5.2360 5.2363 k = 0.3700 0.2280 0.1679 ( 7344 PWs) bands (ev): -9.0551 -9.0551 -9.0494 -9.0494 -2.9504 -2.9504 -2.9297 -2.9297 -1.7773 -1.7773 -1.7689 -1.7689 -1.2344 -1.2344 -1.1781 -1.1781 -1.0344 -1.0344 -0.9423 -0.9423 -0.7980 -0.7980 -0.7620 -0.7620 -0.6929 -0.6929 -0.6826 -0.6826 -0.3845 -0.3845 -0.3095 -0.3095 0.5301 0.5301 0.5676 0.5676 2.9422 2.9422 3.0436 3.0436 5.2569 5.2570 k = 0.3600 0.2280 0.1679 ( 7344 PWs) bands (ev): -9.1182 -9.1182 -9.1123 -9.1123 -2.8374 -2.8374 -2.8131 -2.8131 -1.8000 -1.8000 -1.7885 -1.7885 -1.2380 -1.2380 -1.1784 -1.1784 -1.0425 -1.0425 -0.9388 -0.9388 -0.8246 -0.8246 -0.7732 -0.7732 -0.6980 -0.6980 -0.6841 -0.6841 -0.3973 -0.3973 -0.3339 -0.3339 0.4848 0.4848 0.5236 0.5236 2.9474 2.9474 3.0457 3.0457 5.2622 5.2623 k = 0.3500 0.2280 0.1679 ( 7344 PWs) bands (ev): -9.1823 -9.1823 -9.1764 -9.1764 -2.7231 -2.7231 -2.6949 -2.6949 -1.8257 -1.8257 -1.8105 -1.8105 -1.2421 -1.2421 -1.1804 -1.1804 -1.0502 -1.0502 -0.9349 -0.9349 -0.8541 -0.8541 -0.7881 -0.7881 -0.7021 -0.7021 -0.6852 -0.6852 -0.3996 -0.3996 -0.3478 -0.3478 0.4394 0.4394 0.4796 0.4796 2.9423 2.9423 3.0363 3.0363 5.2390 5.2406 k = 0.3400 0.2280 0.1679 ( 7336 PWs) bands (ev): -9.2472 -9.2472 -9.2411 -9.2411 -2.6091 -2.6091 -2.5769 -2.5769 -1.8543 -1.8543 -1.8345 -1.8345 -1.2469 -1.2469 -1.1846 -1.1846 -1.0571 -1.0571 -0.9307 -0.9307 -0.8844 -0.8844 -0.8062 -0.8062 -0.7057 -0.7057 -0.6862 -0.6862 -0.3918 -0.3918 -0.3500 -0.3500 0.3943 0.3943 0.4361 0.4361 2.9276 2.9276 3.0166 3.0166 5.1882 5.1891 k = 0.3300 0.2280 0.1679 ( 7328 PWs) bands (ev): -9.3124 -9.3124 -9.3063 -9.3063 -2.4973 -2.4973 -2.4618 -2.4618 -1.8850 -1.8850 -1.8595 -1.8595 -1.2524 -1.2524 -1.1911 -1.1911 -1.0628 -1.0628 -0.9262 -0.9262 -0.9139 -0.9139 -0.8263 -0.8263 -0.7090 -0.7090 -0.6874 -0.6874 -0.3742 -0.3742 -0.3401 -0.3401 0.3501 0.3501 0.3937 0.3937 2.9043 2.9043 2.9878 2.9878 5.1220 5.1221 k = 0.3200 0.2280 0.1679 ( 7328 PWs) bands (ev): -9.3775 -9.3775 -9.3714 -9.3714 -2.3903 -2.3903 -2.3534 -2.3534 -1.9168 -1.9168 -1.8828 -1.8828 -1.2587 -1.2587 -1.2002 -1.2002 -1.0674 -1.0674 -0.9412 -0.9412 -0.9218 -0.9218 -0.8473 -0.8473 -0.7125 -0.7125 -0.6890 -0.6890 -0.3474 -0.3474 -0.3181 -0.3181 0.3077 0.3077 0.3533 0.3533 2.8735 2.8735 2.9514 2.9514 5.0481 5.0482 k = 0.3100 0.2280 0.1679 ( 7332 PWs) bands (ev): -9.4425 -9.4425 -9.4364 -9.4364 -2.2924 -2.2924 -2.2592 -2.2592 -1.9465 -1.9465 -1.8983 -1.8983 -1.2658 -1.2658 -1.2112 -1.2112 -1.0716 -1.0716 -0.9654 -0.9654 -0.9180 -0.9180 -0.8676 -0.8676 -0.7162 -0.7162 -0.6910 -0.6910 -0.3116 -0.3116 -0.2842 -0.2842 0.2681 0.2681 0.3158 0.3158 2.8366 2.8366 2.9089 2.9089 4.9704 4.9705 k = 0.3000 0.2280 0.1679 ( 7324 PWs) bands (ev): -9.5069 -9.5069 -9.5008 -9.5008 -2.2130 -2.2130 -2.1930 -2.1930 -1.9657 -1.9657 -1.8934 -1.8934 -1.2737 -1.2737 -1.2236 -1.2236 -1.0766 -1.0766 -0.9853 -0.9853 -0.9170 -0.9170 -0.8843 -0.8843 -0.7201 -0.7201 -0.6933 -0.6933 -0.2678 -0.2678 -0.2399 -0.2399 0.2332 0.2332 0.2831 0.2831 2.7946 2.7946 2.8615 2.8615 4.8915 4.8915 k = 0.2900 0.2280 0.1679 ( 7324 PWs) bands (ev): -9.5705 -9.5705 -9.5645 -9.5645 -2.1713 -2.1713 -2.1689 -2.1689 -1.9562 -1.9562 -1.8553 -1.8553 -1.2826 -1.2826 -1.2368 -1.2368 -1.0840 -1.0840 -0.9997 -0.9997 -0.9242 -0.9242 -0.8918 -0.8918 -0.7242 -0.7242 -0.6958 -0.6958 -0.2179 -0.2179 -0.1883 -0.1883 0.2068 0.2068 0.2580 0.2580 2.7488 2.7488 2.8104 2.8104 4.8125 4.8125 k = 0.2800 0.2280 0.1679 ( 7328 PWs) bands (ev): -9.6332 -9.6332 -9.6272 -9.6272 -2.1808 -2.1808 -2.1762 -2.1762 -1.9095 -1.9095 -1.7907 -1.7907 -1.2924 -1.2924 -1.2502 -1.2502 -1.0950 -1.0950 -1.0080 -1.0080 -0.9386 -0.9386 -0.8906 -0.8906 -0.7285 -0.7285 -0.6985 -0.6985 -0.1666 -0.1666 -0.1368 -0.1368 0.1967 0.1967 0.2461 0.2461 2.6999 2.6999 2.7567 2.7567 4.7343 4.7343 k = 0.2700 0.2280 0.1679 ( 7336 PWs) bands (ev): -9.6948 -9.6948 -9.6889 -9.6889 -2.2121 -2.2121 -2.2073 -2.2073 -1.8463 -1.8463 -1.7169 -1.7169 -1.3030 -1.3030 -1.2634 -1.2634 -1.1095 -1.1095 -1.0110 -1.0110 -0.9546 -0.9546 -0.8867 -0.8867 -0.7327 -0.7327 -0.7013 -0.7013 -0.1226 -0.1226 -0.0991 -0.0991 0.2164 0.2164 0.2565 0.2565 2.6491 2.6491 2.7012 2.7012 4.6573 4.6573 k = 0.2600 0.2280 0.1679 ( 7332 PWs) bands (ev): -9.7550 -9.7550 -9.7492 -9.7492 -2.2528 -2.2528 -2.2490 -2.2490 -1.7820 -1.7820 -1.6441 -1.6441 -1.3145 -1.3145 -1.2762 -1.2762 -1.1262 -1.1262 -1.0101 -1.0101 -0.9700 -0.9700 -0.8820 -0.8820 -0.7367 -0.7367 -0.7040 -0.7040 -0.0959 -0.0959 -0.0863 -0.0863 0.2768 0.2768 0.2995 0.2995 2.5968 2.5968 2.6447 2.6447 4.5819 4.5819 k = 0.2500 0.2280 0.1679 ( 7324 PWs) bands (ev): -9.8138 -9.8138 -9.8081 -9.8081 -2.2982 -2.2982 -2.2952 -2.2952 -1.7221 -1.7221 -1.5769 -1.5769 -1.3269 -1.3269 -1.2882 -1.2882 -1.1439 -1.1439 -1.0069 -1.0069 -0.9842 -0.9842 -0.8772 -0.8772 -0.7404 -0.7404 -0.7067 -0.7067 -0.0947 -0.0947 -0.0896 -0.0896 0.3735 0.3735 0.3781 0.3781 2.5439 2.5439 2.5878 2.5878 4.5084 4.5084 k = 0.2400 0.2280 0.1679 ( 7320 PWs) bands (ev): -9.8710 -9.8710 -9.8654 -9.8654 -2.3460 -2.3460 -2.3435 -2.3435 -1.6682 -1.6682 -1.5173 -1.5173 -1.3399 -1.3399 -1.2990 -1.2990 -1.1619 -1.1619 -1.0021 -1.0021 -0.9972 -0.9972 -0.8726 -0.8726 -0.7436 -0.7436 -0.7092 -0.7092 -0.1143 -0.1143 -0.0983 -0.0983 0.4859 0.4859 0.4956 0.4956 2.4908 2.4908 2.5311 2.5311 4.4370 4.4370 k = 0.2300 0.2280 0.1679 ( 7332 PWs) bands (ev): -9.9265 -9.9265 -9.9211 -9.9211 -2.3950 -2.3950 -2.3926 -2.3926 -1.6207 -1.6207 -1.4668 -1.4668 -1.3537 -1.3537 -1.3078 -1.3078 -1.1797 -1.1797 -1.0090 -1.0090 -0.9965 -0.9965 -0.8684 -0.8684 -0.7462 -0.7462 -0.7116 -0.7116 -0.1388 -0.1388 -0.1153 -0.1153 0.6152 0.6152 0.6354 0.6354 2.4382 2.4382 2.4750 2.4750 4.3679 4.3679 k = 0.2200 0.2280 0.1679 ( 7324 PWs) bands (ev): -9.9801 -9.9801 -9.9749 -9.9749 -2.4441 -2.4441 -2.4418 -2.4418 -1.5792 -1.5792 -1.4278 -1.4278 -1.3679 -1.3679 -1.3120 -1.3120 -1.1966 -1.1966 -1.0193 -1.0193 -0.9904 -0.9904 -0.8648 -0.8648 -0.7481 -0.7481 -0.7137 -0.7137 -0.1649 -0.1649 -0.1363 -0.1363 0.7605 0.7605 0.7883 0.7883 2.3865 2.3865 2.4202 2.4202 4.3011 4.3011 k = 0.2100 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.0319 -10.0319 -10.0269 -10.0269 -2.4930 -2.4930 -2.4905 -2.4905 -1.5435 -1.5435 -1.4048 -1.4048 -1.3825 -1.3825 -1.3070 -1.3070 -1.2122 -1.2122 -1.0283 -1.0283 -0.9840 -0.9840 -0.8620 -0.8620 -0.7490 -0.7490 -0.7155 -0.7155 -0.1913 -0.1913 -0.1589 -0.1589 0.9178 0.9178 0.9514 0.9514 2.3362 2.3362 2.3672 2.3672 4.2368 4.2368 k = 0.2000 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.0817 -10.0817 -10.0768 -10.0768 -2.5410 -2.5410 -2.5384 -2.5384 -1.5133 -1.5133 -1.3994 -1.3994 -1.3970 -1.3970 -1.2918 -1.2918 -1.2251 -1.2251 -1.0358 -1.0358 -0.9775 -0.9775 -0.8600 -0.8600 -0.7489 -0.7489 -0.7169 -0.7169 -0.2170 -0.2170 -0.1818 -0.1818 1.0841 1.0841 1.1222 1.1222 2.2881 2.2881 2.3166 2.3166 4.1751 4.1751 k = 0.1900 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.1294 -10.1294 -10.1247 -10.1247 -2.5879 -2.5879 -2.5852 -2.5852 -1.4889 -1.4889 -1.4104 -1.4104 -1.4052 -1.4052 -1.2762 -1.2762 -1.2309 -1.2309 -1.0420 -1.0420 -0.9711 -0.9711 -0.8589 -0.8589 -0.7478 -0.7478 -0.7180 -0.7180 -0.2417 -0.2417 -0.2044 -0.2044 1.2566 1.2566 1.2982 1.2982 2.2433 2.2433 2.2695 2.2695 4.1160 4.1160 k = 0.1800 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.1750 -10.1750 -10.1705 -10.1705 -2.6334 -2.6334 -2.6305 -2.6305 -1.4723 -1.4723 -1.4204 -1.4204 -1.4165 -1.4165 -1.2738 -1.2738 -1.2213 -1.2213 -1.0467 -1.0467 -0.9647 -0.9647 -0.8587 -0.8587 -0.7456 -0.7456 -0.7187 -0.7187 -0.2651 -0.2651 -0.2264 -0.2264 1.4320 1.4320 1.4761 1.4761 2.2037 2.2037 2.2278 2.2278 4.0597 4.0597 k = 0.1700 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.2184 -10.2184 -10.2141 -10.2141 -2.6772 -2.6772 -2.6742 -2.6742 -1.4685 -1.4685 -1.4304 -1.4304 -1.4212 -1.4212 -1.2811 -1.2811 -1.2018 -1.2018 -1.0499 -1.0499 -0.9586 -0.9586 -0.8593 -0.8593 -0.7424 -0.7424 -0.7189 -0.7189 -0.2871 -0.2871 -0.2474 -0.2474 1.6046 1.6046 1.6500 1.6500 2.1743 2.1743 2.1959 2.1959 4.0061 4.0061 k = 0.1600 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.2595 -10.2595 -10.2555 -10.2555 -2.7192 -2.7192 -2.7161 -2.7161 -1.4768 -1.4768 -1.4456 -1.4456 -1.4131 -1.4131 -1.2905 -1.2905 -1.1808 -1.1808 -1.0517 -1.0517 -0.9527 -0.9527 -0.8606 -0.8606 -0.7384 -0.7384 -0.7186 -0.7186 -0.3077 -0.3077 -0.2673 -0.2673 1.7613 1.7613 1.8037 1.8037 2.1704 2.1704 2.1858 2.1858 3.9554 3.9554 k = 0.1500 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.2984 -10.2984 -10.2945 -10.2945 -2.7592 -2.7592 -2.7560 -2.7560 -1.4898 -1.4898 -1.4616 -1.4616 -1.4031 -1.4031 -1.2998 -1.2998 -1.1605 -1.1605 -1.0521 -1.0521 -0.9472 -0.9472 -0.8625 -0.8625 -0.7338 -0.7338 -0.7179 -0.7179 -0.3269 -0.3269 -0.2862 -0.2862 1.8707 1.8707 1.8983 1.8983 2.2278 2.2278 2.2298 2.2298 3.9076 3.9076 k = 0.1400 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.3349 -10.3349 -10.3312 -10.3312 -2.7970 -2.7970 -2.7938 -2.7938 -1.5040 -1.5040 -1.4779 -1.4779 -1.3940 -1.3940 -1.3086 -1.3086 -1.1416 -1.1416 -1.0513 -1.0513 -0.9421 -0.9421 -0.8649 -0.8649 -0.7286 -0.7286 -0.7168 -0.7168 -0.3446 -0.3446 -0.3040 -0.3040 1.9080 1.9080 1.9186 1.9186 2.3457 2.3457 2.3666 2.3666 3.8627 3.8627 k = 0.1300 0.2280 0.1679 ( 7352 PWs) bands (ev): -10.3690 -10.3690 -10.3656 -10.3656 -2.8326 -2.8326 -2.8294 -2.8294 -1.5185 -1.5185 -1.4942 -1.4942 -1.3866 -1.3866 -1.3167 -1.3167 -1.1240 -1.1240 -1.0493 -1.0493 -0.9375 -0.9375 -0.8676 -0.8676 -0.7232 -0.7232 -0.7152 -0.7152 -0.3608 -0.3608 -0.3207 -0.3207 1.9017 1.9017 1.9045 1.9045 2.5099 2.5099 2.5399 2.5399 3.8209 3.8209 k = 0.1200 0.2280 0.1679 ( 7348 PWs) bands (ev): -10.4007 -10.4007 -10.3975 -10.3975 -2.8658 -2.8658 -2.8628 -2.8628 -1.5326 -1.5326 -1.5101 -1.5101 -1.3808 -1.3808 -1.3241 -1.3241 -1.1078 -1.1078 -1.0463 -1.0463 -0.9332 -0.9332 -0.8706 -0.8706 -0.7176 -0.7176 -0.7132 -0.7132 -0.3756 -0.3756 -0.3363 -0.3363 1.8800 1.8800 1.8802 1.8802 2.6908 2.6908 2.7245 2.7245 3.7822 3.7822 k = 0.1100 0.2280 0.1679 ( 7352 PWs) bands (ev): -10.4299 -10.4299 -10.4270 -10.4270 -2.8967 -2.8967 -2.8937 -2.8937 -1.5461 -1.5461 -1.5255 -1.5255 -1.3765 -1.3765 -1.3308 -1.3308 -1.0929 -1.0929 -1.0425 -1.0425 -0.9293 -0.9293 -0.8737 -0.8737 -0.7120 -0.7120 -0.7108 -0.7108 -0.3891 -0.3891 -0.3509 -0.3509 1.8527 1.8527 1.8540 1.8540 2.8764 2.8764 2.9110 2.9110 3.7468 3.7468 k = 0.1000 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.4567 -10.4567 -10.4541 -10.4541 -2.9250 -2.9250 -2.9221 -2.9221 -1.5589 -1.5589 -1.5402 -1.5402 -1.3734 -1.3734 -1.3368 -1.3368 -1.0793 -1.0793 -1.0382 -1.0382 -0.9259 -0.9259 -0.8769 -0.8769 -0.7081 -0.7081 -0.7065 -0.7065 -0.4011 -0.4011 -0.3644 -0.3644 1.8256 1.8256 1.8272 1.8272 3.0610 3.0610 3.0948 3.0948 3.7150 3.7150 k = 0.0900 0.2280 0.1679 ( 7328 PWs) bands (ev): -10.4810 -10.4810 -10.4786 -10.4786 -2.9507 -2.9507 -2.9481 -2.9481 -1.5707 -1.5707 -1.5539 -1.5539 -1.3713 -1.3713 -1.3423 -1.3423 -1.0669 -1.0669 -1.0335 -1.0335 -0.9227 -0.9227 -0.8800 -0.8800 -0.7051 -0.7051 -0.7013 -0.7013 -0.4117 -0.4117 -0.3769 -0.3769 1.7997 1.7997 1.8014 1.8014 3.2409 3.2409 3.2714 3.2714 3.6875 3.6875 k = 0.0800 0.2280 0.1679 ( 7336 PWs) bands (ev): -10.5028 -10.5028 -10.5006 -10.5006 -2.9738 -2.9738 -2.9714 -2.9714 -1.5815 -1.5815 -1.5666 -1.5666 -1.3700 -1.3700 -1.3472 -1.3472 -1.0557 -1.0557 -1.0288 -1.0288 -0.9200 -0.9200 -0.8832 -0.8832 -0.7019 -0.7019 -0.6965 -0.6965 -0.4210 -0.4210 -0.3885 -0.3885 1.7758 1.7758 1.7773 1.7773 3.4104 3.4104 3.4326 3.4326 3.6672 3.6672 k = 0.0700 0.2280 0.1679 ( 7324 PWs) bands (ev): -10.5220 -10.5220 -10.5201 -10.5201 -2.9943 -2.9943 -2.9921 -2.9921 -1.5912 -1.5912 -1.5782 -1.5782 -1.3693 -1.3693 -1.3514 -1.3514 -1.0457 -1.0457 -1.0241 -1.0241 -0.9176 -0.9176 -0.8863 -0.8863 -0.6987 -0.6987 -0.6921 -0.6921 -0.4289 -0.4289 -0.3991 -0.3991 1.7542 1.7542 1.7554 1.7554 3.5475 3.5475 3.5476 3.5476 3.6733 3.6733 k = 0.0600 0.2280 0.1679 ( 7332 PWs) bands (ev): -10.5387 -10.5387 -10.5371 -10.5371 -3.0121 -3.0121 -3.0102 -3.0102 -1.5996 -1.5996 -1.5885 -1.5885 -1.3691 -1.3691 -1.3553 -1.3553 -1.0369 -1.0369 -1.0198 -1.0198 -0.9154 -0.9154 -0.8894 -0.8894 -0.6954 -0.6954 -0.6884 -0.6884 -0.4354 -0.4354 -0.4088 -0.4088 1.7352 1.7352 1.7361 1.7361 3.5773 3.5773 3.5851 3.5851 3.7707 3.7707 k = 0.0500 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.5528 -10.5528 -10.5514 -10.5514 -3.0272 -3.0272 -3.0256 -3.0256 -1.6068 -1.6068 -1.5976 -1.5976 -1.3690 -1.3690 -1.3585 -1.3585 -1.0293 -1.0293 -1.0160 -1.0160 -0.9135 -0.9135 -0.8923 -0.8923 -0.6922 -0.6922 -0.6853 -0.6853 -0.4405 -0.4405 -0.4174 -0.4174 1.7188 1.7188 1.7196 1.7196 3.5732 3.5732 3.5781 3.5781 3.9012 3.9012 k = 0.0400 0.2280 0.1679 ( 7352 PWs) bands (ev): -10.5643 -10.5643 -10.5632 -10.5632 -3.0395 -3.0395 -3.0382 -3.0382 -1.6125 -1.6125 -1.6052 -1.6052 -1.3690 -1.3690 -1.3613 -1.3613 -1.0229 -1.0229 -1.0128 -1.0128 -0.9116 -0.9116 -0.8950 -0.8950 -0.6892 -0.6892 -0.6829 -0.6829 -0.4441 -0.4441 -0.4251 -0.4251 1.7053 1.7053 1.7058 1.7058 3.5641 3.5641 3.5671 3.5671 4.0210 4.0210 k = 0.0300 0.2280 0.1679 ( 7340 PWs) bands (ev): -10.5733 -10.5733 -10.5725 -10.5725 -3.0491 -3.0491 -3.0481 -3.0481 -1.6168 -1.6168 -1.6114 -1.6114 -1.3689 -1.3689 -1.3635 -1.3635 -1.0176 -1.0176 -1.0104 -1.0104 -0.9098 -0.9098 -0.8976 -0.8976 -0.6865 -0.6865 -0.6813 -0.6813 -0.4463 -0.4463 -0.4317 -0.4317 1.6947 1.6947 1.6951 1.6951 3.5555 3.5555 3.5574 3.5574 4.1213 4.1213 k = 0.0200 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.5796 -10.5796 -10.5791 -10.5791 -3.0559 -3.0559 -3.0552 -3.0552 -1.6197 -1.6197 -1.6160 -1.6160 -1.3688 -1.3688 -1.3654 -1.3654 -1.0135 -1.0135 -1.0089 -1.0089 -0.9081 -0.9081 -0.9000 -0.9000 -0.6841 -0.6841 -0.6804 -0.6804 -0.4471 -0.4471 -0.4372 -0.4372 1.6871 1.6871 1.6873 1.6873 3.5490 3.5490 3.5501 3.5501 4.1978 4.1978 k = 0.0100 0.2280 0.1679 ( 7344 PWs) bands (ev): -10.5834 -10.5834 -10.5831 -10.5831 -3.0599 -3.0599 -3.0596 -3.0596 -1.6211 -1.6211 -1.6192 -1.6192 -1.3684 -1.3684 -1.3667 -1.3667 -1.0106 -1.0106 -1.0084 -1.0084 -0.9062 -0.9062 -0.9022 -0.9022 -0.6823 -0.6823 -0.6803 -0.6803 -0.4466 -0.4466 -0.4416 -0.4416 1.6825 1.6825 1.6827 1.6827 3.5450 3.5450 3.5455 3.5455 4.2470 4.2470 k = 0.0000 0.2280 0.1679 ( 7348 PWs) bands (ev): -10.5846 -10.5846 -10.5846 -10.5846 -3.0612 -3.0612 -3.0612 -3.0612 -1.6209 -1.6209 -1.6209 -1.6209 -1.3677 -1.3677 -1.3677 -1.3677 -1.0090 -1.0090 -1.0090 -1.0090 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4447 -0.4447 -0.4447 -0.4447 1.6811 1.6811 1.6811 1.6811 3.5438 3.5438 3.5438 3.5438 4.2666 4.2666 k = 0.0000 0.2280 0.1679 ( 7348 PWs) bands (ev): -10.5846 -10.5846 -10.5846 -10.5846 -3.0612 -3.0612 -3.0612 -3.0612 -1.6209 -1.6209 -1.6209 -1.6209 -1.3677 -1.3677 -1.3677 -1.3677 -1.0090 -1.0090 -1.0090 -1.0090 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4447 -0.4447 -0.4447 -0.4447 1.6811 1.6811 1.6811 1.6811 3.5438 3.5438 3.5438 3.5438 4.2666 4.2666 k = 0.0000 0.2181 0.1679 ( 7348 PWs) bands (ev): -10.5846 -10.5846 -10.5846 -10.5846 -3.0603 -3.0603 -3.0603 -3.0603 -1.6209 -1.6209 -1.6209 -1.6209 -1.3677 -1.3677 -1.3677 -1.3677 -1.0089 -1.0089 -1.0089 -1.0089 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4451 -0.4451 -0.4451 -0.4451 1.6754 1.6754 1.6754 1.6754 3.5461 3.5461 3.5461 3.5461 4.2664 4.2664 k = 0.0000 0.2082 0.1679 ( 7350 PWs) bands (ev): -10.5846 -10.5846 -10.5846 -10.5846 -3.0576 -3.0576 -3.0576 -3.0576 -1.6210 -1.6210 -1.6210 -1.6210 -1.3674 -1.3674 -1.3674 -1.3674 -1.0089 -1.0089 -1.0089 -1.0089 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4461 -0.4461 -0.4461 -0.4461 1.6587 1.6587 1.6587 1.6587 3.5528 3.5528 3.5528 3.5528 4.2659 4.2659 k = 0.0000 0.1983 0.1679 ( 7346 PWs) bands (ev): -10.5848 -10.5848 -10.5848 -10.5848 -3.0531 -3.0531 -3.0531 -3.0531 -1.6211 -1.6211 -1.6211 -1.6211 -1.3669 -1.3669 -1.3669 -1.3669 -1.0088 -1.0088 -1.0088 -1.0088 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4478 -0.4478 -0.4478 -0.4478 1.6316 1.6316 1.6316 1.6316 3.5639 3.5639 3.5639 3.5639 4.2651 4.2651 k = 0.0000 0.1883 0.1679 ( 7346 PWs) bands (ev): -10.5849 -10.5849 -10.5849 -10.5849 -3.0470 -3.0470 -3.0470 -3.0470 -1.6213 -1.6213 -1.6213 -1.6213 -1.3662 -1.3662 -1.3662 -1.3662 -1.0086 -1.0086 -1.0086 -1.0086 -0.9042 -0.9042 -0.9042 -0.9042 -0.6810 -0.6810 -0.6810 -0.6810 -0.4501 -0.4501 -0.4501 -0.4501 1.5952 1.5952 1.5952 1.5952 3.5790 3.5790 3.5790 3.5790 4.2642 4.2642 k = 0.0000 0.1784 0.1679 ( 7342 PWs) bands (ev): -10.5851 -10.5851 -10.5851 -10.5851 -3.0393 -3.0393 -3.0393 -3.0393 -1.6216 -1.6216 -1.6216 -1.6216 -1.3654 -1.3654 -1.3654 -1.3654 -1.0085 -1.0085 -1.0085 -1.0085 -0.9042 -0.9042 -0.9042 -0.9042 -0.6811 -0.6811 -0.6811 -0.6811 -0.4531 -0.4531 -0.4531 -0.4531 1.5507 1.5507 1.5507 1.5507 3.5980 3.5980 3.5980 3.5980 4.2631 4.2631 k = 0.0000 0.1685 0.1679 ( 7346 PWs) bands (ev): -10.5854 -10.5854 -10.5854 -10.5854 -3.0300 -3.0300 -3.0300 -3.0300 -1.6219 -1.6219 -1.6219 -1.6219 -1.3644 -1.3644 -1.3644 -1.3644 -1.0083 -1.0083 -1.0083 -1.0083 -0.9042 -0.9042 -0.9042 -0.9042 -0.6811 -0.6811 -0.6811 -0.6811 -0.4566 -0.4566 -0.4566 -0.4566 1.4995 1.4995 1.4995 1.4995 3.6203 3.6203 3.6203 3.6203 4.2622 4.2622 k = 0.0000 0.1586 0.1679 ( 7354 PWs) bands (ev): -10.5856 -10.5856 -10.5856 -10.5856 -3.0194 -3.0194 -3.0194 -3.0194 -1.6222 -1.6222 -1.6222 -1.6222 -1.3632 -1.3632 -1.3632 -1.3632 -1.0081 -1.0081 -1.0081 -1.0081 -0.9041 -0.9041 -0.9041 -0.9041 -0.6812 -0.6812 -0.6812 -0.6812 -0.4607 -0.4607 -0.4607 -0.4607 1.4432 1.4432 1.4432 1.4432 3.6458 3.6458 3.6458 3.6458 4.2614 4.2614 k = 0.0000 0.1487 0.1679 ( 7356 PWs) bands (ev): -10.5859 -10.5859 -10.5859 -10.5859 -3.0076 -3.0076 -3.0076 -3.0076 -1.6227 -1.6227 -1.6227 -1.6227 -1.3619 -1.3619 -1.3619 -1.3619 -1.0078 -1.0078 -1.0078 -1.0078 -0.9041 -0.9041 -0.9041 -0.9041 -0.6812 -0.6812 -0.6812 -0.6812 -0.4652 -0.4652 -0.4652 -0.4652 1.3831 1.3831 1.3831 1.3831 3.6741 3.6741 3.6741 3.6741 4.2609 4.2609 k = 0.0000 0.1388 0.1679 ( 7364 PWs) bands (ev): -10.5862 -10.5862 -10.5862 -10.5862 -2.9948 -2.9948 -2.9948 -2.9948 -1.6232 -1.6232 -1.6232 -1.6232 -1.3604 -1.3604 -1.3604 -1.3604 -1.0076 -1.0076 -1.0076 -1.0076 -0.9040 -0.9040 -0.9040 -0.9040 -0.6813 -0.6813 -0.6813 -0.6813 -0.4701 -0.4701 -0.4701 -0.4701 1.3208 1.3208 1.3208 1.3208 3.7047 3.7047 3.7047 3.7047 4.2606 4.2606 k = 0.0000 0.1289 0.1679 ( 7370 PWs) bands (ev): -10.5866 -10.5866 -10.5866 -10.5866 -2.9811 -2.9811 -2.9811 -2.9811 -1.6238 -1.6238 -1.6238 -1.6238 -1.3588 -1.3588 -1.3588 -1.3588 -1.0073 -1.0073 -1.0073 -1.0073 -0.9038 -0.9038 -0.9038 -0.9038 -0.6813 -0.6813 -0.6813 -0.6813 -0.4754 -0.4754 -0.4754 -0.4754 1.2574 1.2574 1.2574 1.2574 3.7372 3.7372 3.7372 3.7372 4.2608 4.2608 k = 0.0000 0.1190 0.1679 ( 7358 PWs) bands (ev): -10.5869 -10.5869 -10.5869 -10.5869 -2.9669 -2.9669 -2.9669 -2.9669 -1.6244 -1.6244 -1.6244 -1.6244 -1.3570 -1.3570 -1.3570 -1.3570 -1.0069 -1.0069 -1.0069 -1.0069 -0.9037 -0.9037 -0.9037 -0.9037 -0.6814 -0.6814 -0.6814 -0.6814 -0.4809 -0.4809 -0.4809 -0.4809 1.1941 1.1941 1.1941 1.1941 3.7713 3.7713 3.7713 3.7713 4.2615 4.2615 k = 0.0000 0.1090 0.1679 ( 7364 PWs) bands (ev): -10.5872 -10.5872 -10.5872 -10.5872 -2.9522 -2.9522 -2.9522 -2.9522 -1.6251 -1.6251 -1.6251 -1.6251 -1.3552 -1.3552 -1.3552 -1.3552 -1.0066 -1.0066 -1.0066 -1.0066 -0.9035 -0.9035 -0.9035 -0.9035 -0.6814 -0.6814 -0.6814 -0.6814 -0.4866 -0.4866 -0.4866 -0.4866 1.1321 1.1321 1.1321 1.1321 3.8063 3.8063 3.8063 3.8063 4.2628 4.2628 k = 0.0000 0.0991 0.1679 ( 7366 PWs) bands (ev): -10.5876 -10.5876 -10.5876 -10.5876 -2.9375 -2.9375 -2.9375 -2.9375 -1.6259 -1.6259 -1.6259 -1.6259 -1.3533 -1.3533 -1.3533 -1.3533 -1.0062 -1.0062 -1.0062 -1.0062 -0.9033 -0.9033 -0.9033 -0.9033 -0.6814 -0.6814 -0.6814 -0.6814 -0.4924 -0.4924 -0.4924 -0.4924 1.0723 1.0723 1.0723 1.0723 3.8416 3.8416 3.8416 3.8416 4.2647 4.2647 k = 0.0000 0.0892 0.1679 ( 7360 PWs) bands (ev): -10.5879 -10.5879 -10.5879 -10.5879 -2.9230 -2.9230 -2.9230 -2.9230 -1.6267 -1.6267 -1.6267 -1.6267 -1.3514 -1.3514 -1.3514 -1.3514 -1.0058 -1.0058 -1.0058 -1.0058 -0.9030 -0.9030 -0.9030 -0.9030 -0.6814 -0.6814 -0.6814 -0.6814 -0.4982 -0.4982 -0.4982 -0.4982 1.0156 1.0156 1.0156 1.0156 3.8766 3.8766 3.8766 3.8766 4.2675 4.2675 k = 0.0000 0.0793 0.1679 ( 7352 PWs) bands (ev): -10.5882 -10.5882 -10.5882 -10.5882 -2.9089 -2.9089 -2.9089 -2.9089 -1.6274 -1.6274 -1.6274 -1.6274 -1.3495 -1.3495 -1.3495 -1.3495 -1.0054 -1.0054 -1.0054 -1.0054 -0.9028 -0.9028 -0.9028 -0.9028 -0.6815 -0.6815 -0.6815 -0.6815 -0.5038 -0.5038 -0.5038 -0.5038 0.9627 0.9627 0.9627 0.9627 3.9105 3.9105 3.9105 3.9105 4.2712 4.2712 k = 0.0000 0.0694 0.1679 ( 7342 PWs) bands (ev): -10.5885 -10.5885 -10.5885 -10.5885 -2.8956 -2.8956 -2.8956 -2.8956 -1.6282 -1.6282 -1.6282 -1.6282 -1.3477 -1.3477 -1.3477 -1.3477 -1.0050 -1.0050 -1.0050 -1.0050 -0.9025 -0.9025 -0.9025 -0.9025 -0.6815 -0.6815 -0.6815 -0.6815 -0.5092 -0.5092 -0.5092 -0.5092 0.9145 0.9145 0.9145 0.9145 3.9424 3.9424 3.9424 3.9424 4.2759 4.2759 k = 0.0000 0.0595 0.1679 ( 7348 PWs) bands (ev): -10.5888 -10.5888 -10.5888 -10.5888 -2.8834 -2.8834 -2.8834 -2.8834 -1.6290 -1.6290 -1.6290 -1.6290 -1.3459 -1.3459 -1.3459 -1.3459 -1.0047 -1.0047 -1.0047 -1.0047 -0.9023 -0.9023 -0.9023 -0.9023 -0.6815 -0.6815 -0.6815 -0.6815 -0.5142 -0.5142 -0.5142 -0.5142 0.8714 0.8714 0.8714 0.8714 3.9714 3.9714 3.9714 3.9714 4.2815 4.2815 k = 0.0000 0.0496 0.1679 ( 7348 PWs) bands (ev): -10.5890 -10.5890 -10.5890 -10.5890 -2.8725 -2.8725 -2.8725 -2.8725 -1.6297 -1.6297 -1.6297 -1.6297 -1.3444 -1.3444 -1.3444 -1.3444 -1.0043 -1.0043 -1.0043 -1.0043 -0.9020 -0.9020 -0.9020 -0.9020 -0.6815 -0.6815 -0.6815 -0.6815 -0.5187 -0.5187 -0.5187 -0.5187 0.8340 0.8340 0.8340 0.8340 3.9969 3.9969 3.9969 3.9969 4.2880 4.2880 k = 0.0000 0.0397 0.1679 ( 7352 PWs) bands (ev): -10.5892 -10.5892 -10.5892 -10.5892 -2.8632 -2.8632 -2.8632 -2.8632 -1.6304 -1.6304 -1.6304 -1.6304 -1.3430 -1.3430 -1.3430 -1.3430 -1.0041 -1.0041 -1.0041 -1.0041 -0.9017 -0.9017 -0.9017 -0.9017 -0.6815 -0.6815 -0.6815 -0.6815 -0.5227 -0.5227 -0.5227 -0.5227 0.8028 0.8028 0.8028 0.8028 4.0181 4.0181 4.0181 4.0181 4.2949 4.2949 k = 0.0000 0.0297 0.1679 ( 7348 PWs) bands (ev): -10.5894 -10.5894 -10.5894 -10.5894 -2.8557 -2.8557 -2.8557 -2.8557 -1.6309 -1.6309 -1.6309 -1.6309 -1.3419 -1.3419 -1.3419 -1.3419 -1.0038 -1.0038 -1.0038 -1.0038 -0.9015 -0.9015 -0.9015 -0.9015 -0.6815 -0.6815 -0.6815 -0.6815 -0.5259 -0.5259 -0.5259 -0.5259 0.7781 0.7781 0.7781 0.7781 4.0346 4.0346 4.0346 4.0346 4.3017 4.3017 k = 0.0000 0.0198 0.1679 ( 7350 PWs) bands (ev): -10.5895 -10.5895 -10.5895 -10.5895 -2.8502 -2.8502 -2.8502 -2.8502 -1.6313 -1.6313 -1.6313 -1.6313 -1.3411 -1.3411 -1.3411 -1.3411 -1.0036 -1.0036 -1.0036 -1.0036 -0.9014 -0.9014 -0.9014 -0.9014 -0.6814 -0.6814 -0.6814 -0.6814 -0.5283 -0.5283 -0.5283 -0.5283 0.7603 0.7603 0.7603 0.7603 4.0464 4.0464 4.0464 4.0464 4.3073 4.3073 k = 0.0000 0.0099 0.1679 ( 7350 PWs) bands (ev): -10.5895 -10.5895 -10.5895 -10.5895 -2.8468 -2.8468 -2.8468 -2.8468 -1.6316 -1.6316 -1.6316 -1.6316 -1.3406 -1.3406 -1.3406 -1.3406 -1.0035 -1.0035 -1.0035 -1.0035 -0.9013 -0.9013 -0.9013 -0.9013 -0.6814 -0.6814 -0.6814 -0.6814 -0.5298 -0.5298 -0.5298 -0.5298 0.7495 0.7495 0.7495 0.7495 4.0534 4.0534 4.0534 4.0534 4.3112 4.3112 k = 0.0000 0.0000 0.1679 ( 7346 PWs) bands (ev): -10.5896 -10.5896 -10.5896 -10.5896 -2.8457 -2.8457 -2.8457 -2.8457 -1.6316 -1.6316 -1.6316 -1.6316 -1.3404 -1.3404 -1.3404 -1.3404 -1.0035 -1.0035 -1.0035 -1.0035 -0.9012 -0.9012 -0.9012 -0.9012 -0.6814 -0.6814 -0.6814 -0.6814 -0.5303 -0.5303 -0.5303 -0.5303 0.7459 0.7459 0.7459 0.7459 4.0557 4.0557 4.0557 4.0557 4.3125 4.3125 k = 0.0000 0.2280-0.0000 ( 7324 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0770 -3.0770 -3.0217 -3.0217 -1.6606 -1.6606 -1.5980 -1.5980 -1.3711 -1.3711 -1.3645 -1.3645 -1.0102 -1.0102 -1.0091 -1.0091 -0.9662 -0.9662 -0.8400 -0.8400 -0.6953 -0.6953 -0.6472 -0.6472 -0.5403 -0.5403 -0.4337 -0.4337 1.6140 1.6140 1.6695 1.6695 3.5539 3.5539 4.2608 4.2608 4.3023 4.3023 k = 0.0000 0.2280 0.0099 ( 7336 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0770 -3.0770 -3.0219 -3.0219 -1.6604 -1.6604 -1.5981 -1.5981 -1.3712 -1.3712 -1.3645 -1.3645 -1.0102 -1.0102 -1.0091 -1.0091 -0.9660 -0.9660 -0.8403 -0.8403 -0.6953 -0.6953 -0.6476 -0.6476 -0.5395 -0.5395 -0.4336 -0.4336 1.6143 1.6143 1.6698 1.6698 3.5510 3.5510 4.2607 4.2607 4.3015 4.3015 k = 0.0000 0.2280 0.0198 ( 7336 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0769 -3.0769 -3.0226 -3.0226 -1.6598 -1.6598 -1.5983 -1.5983 -1.3711 -1.3711 -1.3645 -1.3645 -1.0102 -1.0102 -1.0091 -1.0091 -0.9652 -0.9652 -0.8412 -0.8412 -0.6951 -0.6951 -0.6486 -0.6486 -0.5371 -0.5371 -0.4335 -0.4335 1.6152 1.6152 1.6709 1.6709 3.5427 3.5427 4.2606 4.2606 4.2992 4.2992 k = 0.0000 0.2280 0.0296 ( 7334 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0768 -3.0768 -3.0236 -3.0236 -1.6587 -1.6587 -1.5986 -1.5986 -1.3711 -1.3711 -1.3646 -1.3646 -1.0101 -1.0101 -1.0091 -1.0091 -0.9639 -0.9639 -0.8427 -0.8427 -0.6948 -0.6948 -0.6503 -0.6503 -0.5332 -0.5332 -0.4332 -0.4332 1.6167 1.6167 1.6725 1.6725 3.5296 3.5296 4.2604 4.2604 4.2958 4.2958 k = 0.0000 0.2280 0.0395 ( 7344 PWs) bands (ev): -10.5851 -10.5851 -10.5841 -10.5841 -3.0767 -3.0767 -3.0251 -3.0251 -1.6573 -1.6573 -1.5992 -1.5992 -1.3710 -1.3710 -1.3647 -1.3647 -1.0100 -1.0100 -1.0090 -1.0090 -0.9621 -0.9621 -0.8448 -0.8448 -0.6944 -0.6944 -0.6524 -0.6524 -0.5281 -0.5281 -0.4330 -0.4330 1.6189 1.6189 1.6747 1.6747 3.5132 3.5132 4.2599 4.2599 4.2919 4.2919 k = 0.0000 0.2280 0.0494 ( 7328 PWs) bands (ev): -10.5850 -10.5850 -10.5841 -10.5841 -3.0764 -3.0764 -3.0270 -3.0270 -1.6554 -1.6554 -1.5998 -1.5998 -1.3708 -1.3708 -1.3648 -1.3648 -1.0098 -1.0098 -1.0090 -1.0090 -0.9598 -0.9598 -0.8474 -0.8474 -0.6938 -0.6938 -0.6548 -0.6548 -0.5221 -0.5221 -0.4326 -0.4326 1.6215 1.6215 1.6773 1.6773 3.4947 3.4947 4.2585 4.2585 4.2878 4.2878 k = 0.0000 0.2280 0.0593 ( 7340 PWs) bands (ev): -10.5850 -10.5850 -10.5842 -10.5842 -3.0761 -3.0761 -3.0292 -3.0292 -1.6533 -1.6533 -1.6006 -1.6006 -1.3706 -1.3706 -1.3649 -1.3649 -1.0097 -1.0097 -1.0090 -1.0090 -0.9570 -0.9570 -0.8505 -0.8505 -0.6932 -0.6932 -0.6574 -0.6574 -0.5154 -0.5154 -0.4323 -0.4323 1.6248 1.6248 1.6802 1.6802 3.4758 3.4758 4.2522 4.2522 4.2828 4.2828 k = 0.0000 0.2280 0.0692 ( 7328 PWs) bands (ev): -10.5850 -10.5850 -10.5842 -10.5842 -3.0757 -3.0757 -3.0316 -3.0316 -1.6509 -1.6509 -1.6016 -1.6016 -1.3704 -1.3704 -1.3651 -1.3651 -1.0096 -1.0096 -1.0090 -1.0090 -0.9537 -0.9537 -0.8540 -0.8540 -0.6925 -0.6925 -0.6599 -0.6599 -0.5081 -0.5081 -0.4320 -0.4320 1.6286 1.6286 1.6831 1.6831 3.4578 3.4578 4.2083 4.2083 4.2697 4.2697 k = 0.0000 0.2280 0.0790 ( 7326 PWs) bands (ev): -10.5849 -10.5849 -10.5842 -10.5842 -3.0751 -3.0751 -3.0344 -3.0344 -1.6482 -1.6482 -1.6027 -1.6027 -1.3702 -1.3702 -1.3653 -1.3653 -1.0095 -1.0095 -1.0089 -1.0089 -0.9500 -0.9500 -0.8579 -0.8579 -0.6917 -0.6917 -0.6625 -0.6625 -0.5006 -0.5006 -0.4318 -0.4318 1.6329 1.6329 1.6860 1.6860 3.4421 3.4421 4.1334 4.1334 4.2659 4.2659 k = 0.0000 0.2280 0.0889 ( 7334 PWs) bands (ev): -10.5849 -10.5849 -10.5842 -10.5842 -3.0744 -3.0744 -3.0373 -3.0373 -1.6454 -1.6454 -1.6040 -1.6040 -1.3700 -1.3700 -1.3655 -1.3655 -1.0094 -1.0094 -1.0089 -1.0089 -0.9459 -0.9459 -0.8622 -0.8622 -0.6908 -0.6908 -0.6650 -0.6650 -0.4930 -0.4930 -0.4317 -0.4317 1.6377 1.6377 1.6885 1.6885 3.4299 3.4299 4.0550 4.0550 4.2649 4.2649 k = 0.0000 0.2280 0.0988 ( 7332 PWs) bands (ev): -10.5849 -10.5849 -10.5843 -10.5843 -3.0735 -3.0735 -3.0403 -3.0403 -1.6423 -1.6423 -1.6055 -1.6055 -1.3698 -1.3698 -1.3658 -1.3658 -1.0093 -1.0093 -1.0089 -1.0089 -0.9415 -0.9415 -0.8668 -0.8668 -0.6898 -0.6898 -0.6674 -0.6674 -0.4855 -0.4855 -0.4319 -0.4319 1.6429 1.6429 1.6905 1.6905 3.4222 3.4222 3.9771 3.9771 4.2646 4.2646 k = 0.0000 0.2280 0.1087 ( 7340 PWs) bands (ev): -10.5848 -10.5848 -10.5843 -10.5843 -3.0724 -3.0724 -3.0434 -3.0434 -1.6393 -1.6393 -1.6071 -1.6071 -1.3696 -1.3696 -1.3661 -1.3661 -1.0093 -1.0093 -1.0089 -1.0089 -0.9367 -0.9367 -0.8717 -0.8717 -0.6887 -0.6887 -0.6697 -0.6697 -0.4782 -0.4782 -0.4324 -0.4324 1.6484 1.6484 1.6918 1.6918 3.4198 3.4198 3.9014 3.9014 4.2646 4.2646 k = 0.0000 0.2280 0.1185 ( 7350 PWs) bands (ev): -10.5848 -10.5848 -10.5843 -10.5843 -3.0711 -3.0711 -3.0466 -3.0466 -1.6361 -1.6361 -1.6090 -1.6090 -1.3693 -1.3693 -1.3663 -1.3663 -1.0092 -1.0092 -1.0089 -1.0089 -0.9317 -0.9317 -0.8768 -0.8768 -0.6877 -0.6877 -0.6719 -0.6719 -0.4713 -0.4713 -0.4332 -0.4332 1.6541 1.6541 1.6923 1.6923 3.4234 3.4234 3.8291 3.8291 4.2647 4.2647 k = 0.0000 0.2280 0.1284 ( 7358 PWs) bands (ev): -10.5847 -10.5847 -10.5844 -10.5844 -3.0696 -3.0696 -3.0497 -3.0497 -1.6330 -1.6330 -1.6110 -1.6110 -1.3690 -1.3690 -1.3666 -1.3666 -1.0092 -1.0092 -1.0089 -1.0089 -0.9265 -0.9265 -0.8821 -0.8821 -0.6865 -0.6865 -0.6739 -0.6739 -0.4649 -0.4649 -0.4345 -0.4345 1.6599 1.6599 1.6919 1.6919 3.4335 3.4335 3.7610 3.7610 4.2649 4.2649 k = 0.0000 0.2280 0.1383 ( 7364 PWs) bands (ev): -10.5847 -10.5847 -10.5844 -10.5844 -3.0678 -3.0678 -3.0528 -3.0528 -1.6298 -1.6298 -1.6133 -1.6133 -1.3687 -1.3687 -1.3669 -1.3669 -1.0091 -1.0091 -1.0089 -1.0089 -0.9211 -0.9211 -0.8875 -0.8875 -0.6853 -0.6853 -0.6759 -0.6759 -0.4589 -0.4589 -0.4362 -0.4362 1.6656 1.6656 1.6906 1.6906 3.4505 3.4505 3.6978 3.6978 4.2652 4.2652 k = 0.0000 0.2280 0.1482 ( 7360 PWs) bands (ev): -10.5846 -10.5846 -10.5845 -10.5845 -3.0658 -3.0658 -3.0557 -3.0557 -1.6267 -1.6267 -1.6156 -1.6156 -1.3684 -1.3684 -1.3672 -1.3672 -1.0091 -1.0091 -1.0089 -1.0089 -0.9156 -0.9156 -0.8930 -0.8930 -0.6839 -0.6839 -0.6777 -0.6777 -0.4536 -0.4536 -0.4384 -0.4384 1.6712 1.6712 1.6883 1.6883 3.4745 3.4745 3.6403 3.6403 4.2656 4.2656 k = 0.0000 0.2280 0.1581 ( 7348 PWs) bands (ev): -10.5846 -10.5846 -10.5845 -10.5845 -3.0636 -3.0636 -3.0585 -3.0585 -1.6238 -1.6238 -1.6182 -1.6182 -1.3681 -1.3681 -1.3674 -1.3674 -1.0090 -1.0090 -1.0089 -1.0089 -0.9100 -0.9100 -0.8986 -0.8986 -0.6825 -0.6825 -0.6794 -0.6794 -0.4488 -0.4488 -0.4413 -0.4413 1.6764 1.6764 1.6851 1.6851 3.5057 3.5057 3.5888 3.5888 4.2661 4.2661 k = 0.0000 0.2280 0.1679 ( 7348 PWs) bands (ev): -10.5846 -10.5846 -10.5846 -10.5846 -3.0612 -3.0612 -3.0612 -3.0612 -1.6209 -1.6209 -1.6209 -1.6209 -1.3677 -1.3677 -1.3677 -1.3677 -1.0090 -1.0090 -1.0090 -1.0090 -0.9043 -0.9043 -0.9043 -0.9043 -0.6810 -0.6810 -0.6810 -0.6810 -0.4447 -0.4447 -0.4447 -0.4447 1.6811 1.6811 1.6811 1.6811 3.5438 3.5438 3.5438 3.5438 4.2666 4.2666 k = 0.5000-0.0000 0.1679 ( 7280 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2127 -1.2127 -1.2127 -1.2127 -0.9647 -0.9647 -0.9647 -0.9647 -0.7331 -0.7331 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3302 0.3302 0.3302 0.3302 0.9405 0.9405 0.9405 0.9405 2.8449 2.8449 2.8449 2.8449 4.5313 4.5313 k = 0.5000-0.0000 0.1581 ( 7288 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2128 -1.2128 -1.2127 -1.2127 -0.9648 -0.9648 -0.9647 -0.9647 -0.7332 -0.7332 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3300 0.3300 0.3303 0.3303 0.9404 0.9404 0.9406 0.9406 2.8443 2.8443 2.8451 2.8451 4.5311 4.5311 k = 0.5000-0.0000 0.1482 ( 7296 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7223 -1.7223 -1.2127 -1.2127 -1.2127 -1.2127 -0.9649 -0.9649 -0.9646 -0.9646 -0.7333 -0.7333 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3299 0.3299 0.3305 0.3305 0.9404 0.9404 0.9408 0.9408 2.8432 2.8432 2.8448 2.8448 4.5333 4.5333 k = 0.5000-0.0000 0.1383 ( 7300 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2127 -1.2127 -1.2126 -1.2126 -0.9649 -0.9649 -0.9646 -0.9646 -0.7335 -0.7335 -0.7331 -0.7331 -0.6132 -0.6132 -0.6132 -0.6132 0.3298 0.3298 0.3307 0.3307 0.9403 0.9403 0.9409 0.9409 2.8418 2.8418 2.8441 2.8441 4.5378 4.5378 k = 0.5000-0.0000 0.1284 ( 7296 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2125 -1.2125 -1.2124 -1.2124 -0.9650 -0.9650 -0.9646 -0.9646 -0.7336 -0.7336 -0.7332 -0.7332 -0.6133 -0.6133 -0.6132 -0.6132 0.3297 0.3297 0.3309 0.3309 0.9403 0.9403 0.9411 0.9411 2.8400 2.8400 2.8430 2.8430 4.5447 4.5447 k = 0.5000-0.0000 0.1185 ( 7288 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2123 -1.2123 -1.2122 -1.2122 -0.9651 -0.9651 -0.9646 -0.9646 -0.7338 -0.7338 -0.7333 -0.7333 -0.6133 -0.6133 -0.6133 -0.6133 0.3297 0.3297 0.3310 0.3310 0.9404 0.9404 0.9413 0.9413 2.8380 2.8380 2.8414 2.8414 4.5536 4.5536 k = 0.5000-0.0000 0.1087 ( 7294 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8335 -3.8335 -3.8335 -3.8335 -1.7224 -1.7224 -1.7224 -1.7224 -1.2122 -1.2122 -1.2120 -1.2120 -0.9652 -0.9652 -0.9647 -0.9647 -0.7340 -0.7340 -0.7334 -0.7334 -0.6133 -0.6133 -0.6133 -0.6133 0.3297 0.3297 0.3312 0.3312 0.9404 0.9404 0.9415 0.9415 2.8357 2.8357 2.8396 2.8396 4.5645 4.5645 k = 0.5000-0.0000 0.0988 ( 7284 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8334 -3.8334 -3.8334 -3.8334 -1.7224 -1.7224 -1.7224 -1.7224 -1.2119 -1.2119 -1.2118 -1.2118 -0.9652 -0.9652 -0.9647 -0.9647 -0.7342 -0.7342 -0.7335 -0.7335 -0.6133 -0.6133 -0.6133 -0.6133 0.3298 0.3298 0.3314 0.3314 0.9406 0.9406 0.9417 0.9417 2.8333 2.8333 2.8375 2.8375 4.5771 4.5771 k = 0.5000-0.0000 0.0889 ( 7284 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8334 -3.8334 -3.8334 -3.8334 -1.7224 -1.7224 -1.7224 -1.7224 -1.2117 -1.2117 -1.2116 -1.2116 -0.9653 -0.9653 -0.9647 -0.9647 -0.7344 -0.7344 -0.7337 -0.7337 -0.6133 -0.6133 -0.6133 -0.6133 0.3298 0.3298 0.3315 0.3315 0.9407 0.9407 0.9418 0.9418 2.8309 2.8309 2.8352 2.8352 4.5910 4.5910 k = 0.5000-0.0000 0.0790 ( 7278 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8334 -3.8334 -3.8334 -3.8334 -1.7224 -1.7224 -1.7224 -1.7224 -1.2115 -1.2115 -1.2114 -1.2114 -0.9653 -0.9653 -0.9647 -0.9647 -0.7345 -0.7345 -0.7339 -0.7339 -0.6133 -0.6133 -0.6133 -0.6133 0.3299 0.3299 0.3316 0.3316 0.9408 0.9408 0.9420 0.9420 2.8286 2.8286 2.8329 2.8329 4.6059 4.6059 k = 0.5000-0.0000 0.0692 ( 7278 PWs) bands (ev): -8.5583 -8.5583 -8.5583 -8.5583 -3.8333 -3.8333 -3.8333 -3.8333 -1.7224 -1.7224 -1.7224 -1.7224 -1.2113 -1.2113 -1.2112 -1.2112 -0.9653 -0.9653 -0.9648 -0.9648 -0.7347 -0.7347 -0.7341 -0.7341 -0.6134 -0.6134 -0.6133 -0.6133 0.3301 0.3301 0.3317 0.3317 0.9410 0.9410 0.9421 0.9421 2.8263 2.8263 2.8304 2.8304 4.6214 4.6214 k = 0.5000-0.0000 0.0593 ( 7286 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8333 -3.8333 -3.8333 -3.8333 -1.7224 -1.7224 -1.7224 -1.7224 -1.2111 -1.2111 -1.2110 -1.2110 -0.9654 -0.9654 -0.9649 -0.9649 -0.7349 -0.7349 -0.7343 -0.7343 -0.6134 -0.6134 -0.6134 -0.6134 0.3302 0.3302 0.3317 0.3317 0.9412 0.9412 0.9422 0.9422 2.8243 2.8243 2.8281 2.8281 4.6370 4.6370 k = 0.5000-0.0000 0.0494 ( 7286 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8333 -3.8333 -3.8333 -3.8333 -1.7224 -1.7224 -1.7224 -1.7224 -1.2109 -1.2109 -1.2108 -1.2108 -0.9654 -0.9654 -0.9650 -0.9650 -0.7351 -0.7351 -0.7345 -0.7345 -0.6134 -0.6134 -0.6134 -0.6134 0.3304 0.3304 0.3317 0.3317 0.9413 0.9413 0.9423 0.9423 2.8225 2.8225 2.8259 2.8259 4.6521 4.6521 k = 0.5000-0.0000 0.0395 ( 7300 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8333 -3.8333 -3.8333 -3.8333 -1.7225 -1.7225 -1.7224 -1.7224 -1.2108 -1.2108 -1.2107 -1.2107 -0.9654 -0.9654 -0.9650 -0.9650 -0.7352 -0.7352 -0.7347 -0.7347 -0.6135 -0.6135 -0.6134 -0.6134 0.3306 0.3306 0.3317 0.3317 0.9415 0.9415 0.9423 0.9423 2.8210 2.8210 2.8239 2.8239 4.6661 4.6661 k = 0.5000-0.0000 0.0296 ( 7290 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7224 -1.7224 -1.2106 -1.2106 -1.2105 -1.2105 -0.9654 -0.9654 -0.9651 -0.9651 -0.7352 -0.7352 -0.7349 -0.7349 -0.6135 -0.6135 -0.6135 -0.6135 0.3308 0.3308 0.3316 0.3316 0.9417 0.9417 0.9423 0.9423 2.8199 2.8199 2.8221 2.8221 4.6784 4.6784 k = 0.5000-0.0000 0.0198 ( 7290 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7224 -1.7224 -1.2105 -1.2105 -1.2104 -1.2104 -0.9654 -0.9654 -0.9652 -0.9652 -0.7353 -0.7353 -0.7350 -0.7350 -0.6135 -0.6135 -0.6135 -0.6135 0.3309 0.3309 0.3315 0.3315 0.9419 0.9419 0.9423 0.9423 2.8192 2.8192 2.8208 2.8208 4.6884 4.6884 k = 0.5000-0.0000 0.0099 ( 7290 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7225 -1.7225 -1.2104 -1.2104 -1.2104 -1.2104 -0.9654 -0.9654 -0.9652 -0.9652 -0.7353 -0.7353 -0.7351 -0.7351 -0.6135 -0.6135 -0.6135 -0.6135 0.3311 0.3311 0.3314 0.3314 0.9420 0.9420 0.9422 0.9422 2.8190 2.8190 2.8197 2.8197 4.6955 4.6955 k = 0.5000-0.0000-0.0000 ( 7296 PWs) bands (ev): -8.5584 -8.5584 -8.5584 -8.5584 -3.8332 -3.8332 -3.8332 -3.8332 -1.7225 -1.7225 -1.7225 -1.7225 -1.2104 -1.2104 -1.2104 -1.2104 -0.9653 -0.9653 -0.9653 -0.9653 -0.7352 -0.7352 -0.7352 -0.7352 -0.6135 -0.6135 -0.6135 -0.6135 0.3313 0.3313 0.3313 0.3313 0.9421 0.9421 0.9421 0.9421 2.8191 2.8191 2.8191 2.8191 4.6993 4.6993 k = 0.5000 0.2280-0.0000 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2074 -1.2074 -1.2074 -1.2074 -0.9680 -0.9680 -0.9680 -0.9680 -0.7422 -0.7422 -0.7422 -0.7422 -0.6409 -0.6409 -0.6409 -0.6409 0.1464 0.1464 0.1464 0.1464 0.9195 0.9195 0.9195 0.9195 2.4716 2.4716 2.4716 2.4716 5.5253 5.5253 k = 0.5000 0.2280 0.0099 ( 7320 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2075 -1.2075 -1.2075 -1.2075 -0.9680 -0.9680 -0.9680 -0.9680 -0.7423 -0.7423 -0.7422 -0.7422 -0.6409 -0.6409 -0.6409 -0.6409 0.1463 0.1463 0.1464 0.1464 0.9192 0.9192 0.9194 0.9194 2.4717 2.4717 2.4725 2.4725 5.5023 5.5023 k = 0.5000 0.2280 0.0198 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2076 -1.2076 -1.2075 -1.2075 -0.9680 -0.9680 -0.9679 -0.9679 -0.7422 -0.7422 -0.7420 -0.7420 -0.6409 -0.6409 -0.6409 -0.6409 0.1462 0.1462 0.1463 0.1463 0.9187 0.9187 0.9192 0.9192 2.4727 2.4727 2.4743 2.4743 5.4759 5.4760 k = 0.5000 0.2280 0.0296 ( 7308 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2077 -1.2077 -1.2076 -1.2076 -0.9680 -0.9680 -0.9678 -0.9678 -0.7421 -0.7421 -0.7419 -0.7419 -0.6409 -0.6409 -0.6409 -0.6409 0.1460 0.1460 0.1461 0.1461 0.9179 0.9179 0.9186 0.9186 2.4746 2.4746 2.4770 2.4770 5.4500 5.4501 k = 0.5000 0.2280 0.0395 ( 7300 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2078 -1.2078 -1.2077 -1.2077 -0.9680 -0.9680 -0.9677 -0.9677 -0.7419 -0.7419 -0.7417 -0.7417 -0.6409 -0.6409 -0.6409 -0.6409 0.1457 0.1457 0.1458 0.1458 0.9169 0.9169 0.9178 0.9178 2.4775 2.4775 2.4804 2.4804 5.4255 5.4255 k = 0.5000 0.2280 0.0494 ( 7288 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2080 -1.2080 -1.2079 -1.2079 -0.9679 -0.9679 -0.9676 -0.9676 -0.7417 -0.7417 -0.7414 -0.7414 -0.6410 -0.6410 -0.6410 -0.6410 0.1454 0.1454 0.1455 0.1455 0.9158 0.9158 0.9168 0.9168 2.4810 2.4810 2.4846 2.4846 5.4025 5.4025 k = 0.5000 0.2280 0.0593 ( 7296 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2082 -1.2082 -1.2081 -1.2081 -0.9679 -0.9679 -0.9676 -0.9676 -0.7416 -0.7416 -0.7412 -0.7412 -0.6410 -0.6410 -0.6410 -0.6410 0.1450 0.1450 0.1452 0.1452 0.9145 0.9145 0.9157 0.9157 2.4852 2.4852 2.4892 2.4892 5.3813 5.3813 k = 0.5000 0.2280 0.0692 ( 7300 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2084 -1.2084 -1.2083 -1.2083 -0.9679 -0.9679 -0.9675 -0.9675 -0.7413 -0.7413 -0.7410 -0.7410 -0.6411 -0.6411 -0.6411 -0.6411 0.1445 0.1445 0.1448 0.1448 0.9131 0.9131 0.9144 0.9144 2.4900 2.4900 2.4942 2.4942 5.3620 5.3620 k = 0.5000 0.2280 0.0790 ( 7296 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8127 -3.8127 -3.8127 -3.8127 -1.6759 -1.6759 -1.6759 -1.6759 -1.2086 -1.2086 -1.2085 -1.2085 -0.9678 -0.9678 -0.9674 -0.9674 -0.7411 -0.7411 -0.7407 -0.7407 -0.6412 -0.6412 -0.6412 -0.6412 0.1441 0.1441 0.1443 0.1443 0.9117 0.9117 0.9130 0.9130 2.4950 2.4950 2.4995 2.4995 5.3446 5.3446 k = 0.5000 0.2280 0.0889 ( 7300 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6760 -1.6760 -1.6759 -1.6759 -1.2089 -1.2089 -1.2088 -1.2088 -0.9677 -0.9677 -0.9674 -0.9674 -0.7408 -0.7408 -0.7405 -0.7405 -0.6412 -0.6412 -0.6412 -0.6412 0.1437 0.1437 0.1439 0.1439 0.9103 0.9103 0.9115 0.9115 2.5003 2.5003 2.5047 2.5047 5.3291 5.3291 k = 0.5000 0.2280 0.0988 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6760 -1.6760 -1.6759 -1.6759 -1.2091 -1.2091 -1.2090 -1.2090 -0.9677 -0.9677 -0.9673 -0.9673 -0.7406 -0.7406 -0.7402 -0.7402 -0.6413 -0.6413 -0.6413 -0.6413 0.1432 0.1432 0.1434 0.1434 0.9089 0.9089 0.9101 0.9101 2.5055 2.5055 2.5098 2.5098 5.3157 5.3157 k = 0.5000 0.2280 0.1087 ( 7292 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2092 -1.2092 -1.2091 -1.2091 -0.9676 -0.9676 -0.9673 -0.9673 -0.7403 -0.7403 -0.7400 -0.7400 -0.6413 -0.6413 -0.6413 -0.6413 0.1428 0.1428 0.1430 0.1430 0.9076 0.9076 0.9088 0.9088 2.5106 2.5106 2.5146 2.5146 5.3042 5.3042 k = 0.5000 0.2280 0.1185 ( 7304 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6760 -1.6760 -1.6759 -1.6759 -1.2095 -1.2095 -1.2094 -1.2094 -0.9676 -0.9676 -0.9673 -0.9673 -0.7401 -0.7401 -0.7398 -0.7398 -0.6414 -0.6414 -0.6414 -0.6414 0.1424 0.1424 0.1426 0.1426 0.9065 0.9065 0.9075 0.9075 2.5153 2.5153 2.5188 2.5188 5.2948 5.2948 k = 0.5000 0.2280 0.1284 ( 7308 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6760 -1.6760 -1.6759 -1.6759 -1.2096 -1.2096 -1.2095 -1.2095 -0.9675 -0.9675 -0.9673 -0.9673 -0.7399 -0.7399 -0.7397 -0.7397 -0.6415 -0.6415 -0.6414 -0.6414 0.1421 0.1421 0.1423 0.1423 0.9055 0.9055 0.9064 0.9064 2.5194 2.5194 2.5225 2.5225 5.2875 5.2875 k = 0.5000 0.2280 0.1383 ( 7312 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6760 -1.6760 -1.6759 -1.6759 -1.2098 -1.2098 -1.2097 -1.2097 -0.9675 -0.9675 -0.9673 -0.9673 -0.7397 -0.7397 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1419 0.1419 0.1420 0.1420 0.9048 0.9048 0.9054 0.9054 2.5230 2.5230 2.5253 2.5253 5.2822 5.2823 k = 0.5000 0.2280 0.1482 ( 7312 PWs) bands (ev): -8.5576 -8.5576 -8.5576 -8.5576 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2099 -1.2099 -1.2098 -1.2098 -0.9674 -0.9674 -0.9673 -0.9673 -0.7396 -0.7396 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1417 0.1417 0.1418 0.1418 0.9042 0.9042 0.9047 0.9047 2.5257 2.5257 2.5273 2.5273 5.2790 5.2790 k = 0.5000 0.2280 0.1581 ( 7320 PWs) bands (ev): -8.5575 -8.5575 -8.5575 -8.5575 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2099 -1.2099 -1.2099 -1.2099 -0.9673 -0.9673 -0.9673 -0.9673 -0.7396 -0.7396 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1416 0.1416 0.1416 0.1416 0.9040 0.9040 0.9042 0.9042 2.5275 2.5275 2.5284 2.5284 5.2779 5.2789 k = 0.5000 0.2280 0.1679 ( 7304 PWs) bands (ev): -8.5575 -8.5575 -8.5575 -8.5575 -3.8126 -3.8126 -3.8126 -3.8126 -1.6759 -1.6759 -1.6759 -1.6759 -1.2099 -1.2099 -1.2099 -1.2099 -0.9672 -0.9672 -0.9672 -0.9672 -0.7395 -0.7395 -0.7395 -0.7395 -0.6415 -0.6415 -0.6415 -0.6415 0.1416 0.1416 0.1416 0.1416 0.9039 0.9039 0.9039 0.9039 2.5284 2.5284 2.5284 2.5284 5.2786 5.2786 Writing output data file CuTe.save init_run : 0.52s CPU 0.67s WALL ( 1 calls) electrons : 238.19s CPU 241.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 238.18s CPU 241.09s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 372 calls) cegterg : 217.19s CPU 219.48s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 130.86s CPU 133.15s WALL ( 9198 calls) s_psi : 4.42s CPU 4.46s WALL ( 9198 calls) g_psi : 0.16s CPU 0.18s WALL ( 8283 calls) cdiaghg : 80.39s CPU 80.93s WALL ( 8655 calls) cegterg:over : 7.54s CPU 7.35s WALL ( 8283 calls) cegterg:upda : 4.67s CPU 4.67s WALL ( 8283 calls) cegterg:last : 2.56s CPU 2.58s WALL ( 1287 calls) cdiaghg:chol : 3.02s CPU 3.07s WALL ( 8655 calls) cdiaghg:inve : 0.83s CPU 0.88s WALL ( 8655 calls) cdiaghg:para : 4.62s CPU 4.76s WALL ( 17310 calls) Called by h_psi: h_psi:vloc : 120.45s CPU 122.49s WALL ( 9198 calls) h_psi:vnl : 10.27s CPU 10.48s WALL ( 9198 calls) add_vuspsi : 4.94s CPU 5.09s WALL ( 9198 calls) General routines calbec : 5.30s CPU 5.37s WALL ( 9198 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.08s CPU 118.96s WALL ( 699760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.24s WALL ( 744 calls) Parallel routines fft_scatter : 79.47s CPU 80.59s WALL ( 699783 calls) PWSCF : 4m34.97s CPU 4m52.58s WALL This run was terminated on: 16:56:57 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=