Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfGeS.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 19 6 1419 864 143 Max 28 20 8 1430 884 148 Sum 981 717 221 51145 31367 5217 bravais-lattice index = 14 lattice parameter (alat) = 6.8219 a.u. unit-cell volume = 698.2829 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.821911 celldm(2)= 1.000000 celldm(3)= 2.199446 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.199446 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.454660 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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. # 3 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Ge 4.00 72.64000 Ge( 1.00) Hf 12.00 178.49000 Hf( 1.00) S 6.00 32.06500 S( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -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 = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 369 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0027100 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0027100 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0027100 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0027100 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0027100 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0027100 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0027100 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0027100 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0027100 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0027100 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027100 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0027100 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0027100 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0027100 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0027100 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0027100 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0027100 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0027100 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0027100 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0027100 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0027100 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027100 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0027100 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0027100 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027100 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027100 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027100 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027100 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0027100 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027100 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027100 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027100 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027100 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0027100 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0027100 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027100 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0027100 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0027100 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0027100 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0027100 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0027100 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0027100 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0027100 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0027100 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0027100 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0027100 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0027100 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0027100 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0027100 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027100 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0027100 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0027100 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0027100 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0027100 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0027100 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027100 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0027100 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0027100 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0027100 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0027100 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0027100 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027100 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027100 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0027100 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0027100 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0027100 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0027100 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0027100 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0027100 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0027100 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0027100 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0027100 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0027100 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027100 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0027100 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0027100 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0027100 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0027100 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0027100 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0027100 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027100 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0027100 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0027100 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027100 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0027100 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027100 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0027100 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0027100 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0027100 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0027100 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0027100 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0027100 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0027100 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0027100 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0027100 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0027100 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0027100 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0027100 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0027100 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0027100 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0027100 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0027100 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0027100 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0113665), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.0227330), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.0340995), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.0454660), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.0568325), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.0681990), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.0795655), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.0909320), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.1022985), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.1136650), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.1250315), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.1363980), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.1477645), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.1591310), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.1704975), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.1818640), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.1932305), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.2045970), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.2159635), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.2273300), wk = 0.0027100 k( 175) = ( 0.0000000 0.0000000 0.2273300), wk = 0.0027100 k( 176) = ( 0.0000000 0.0113636 0.2273300), wk = 0.0027100 k( 177) = ( 0.0000000 0.0227273 0.2273300), wk = 0.0027100 k( 178) = ( 0.0000000 0.0340909 0.2273300), wk = 0.0027100 k( 179) = ( 0.0000000 0.0454546 0.2273300), wk = 0.0027100 k( 180) = ( 0.0000000 0.0568182 0.2273300), wk = 0.0027100 k( 181) = ( 0.0000000 0.0681818 0.2273300), wk = 0.0027100 k( 182) = ( 0.0000000 0.0795455 0.2273300), wk = 0.0027100 k( 183) = ( 0.0000000 0.0909091 0.2273300), wk = 0.0027100 k( 184) = ( 0.0000000 0.1022727 0.2273300), wk = 0.0027100 k( 185) = ( 0.0000000 0.1136364 0.2273300), wk = 0.0027100 k( 186) = ( 0.0000000 0.1250000 0.2273300), wk = 0.0027100 k( 187) = ( 0.0000000 0.1363636 0.2273300), wk = 0.0027100 k( 188) = ( 0.0000000 0.1477273 0.2273300), wk = 0.0027100 k( 189) = ( 0.0000000 0.1590909 0.2273300), wk = 0.0027100 k( 190) = ( 0.0000000 0.1704546 0.2273300), wk = 0.0027100 k( 191) = ( 0.0000000 0.1818182 0.2273300), wk = 0.0027100 k( 192) = ( 0.0000000 0.1931818 0.2273300), wk = 0.0027100 k( 193) = ( 0.0000000 0.2045454 0.2273300), wk = 0.0027100 k( 194) = ( 0.0000000 0.2159091 0.2273300), wk = 0.0027100 k( 195) = ( 0.0000000 0.2272727 0.2273300), wk = 0.0027100 k( 196) = ( 0.0000000 0.2386364 0.2273300), wk = 0.0027100 k( 197) = ( 0.0000000 0.2500000 0.2273300), wk = 0.0027100 k( 198) = ( 0.0000000 0.2613636 0.2273300), wk = 0.0027100 k( 199) = ( 0.0000000 0.2727273 0.2273300), wk = 0.0027100 k( 200) = ( 0.0000000 0.2840909 0.2273300), wk = 0.0027100 k( 201) = ( 0.0000000 0.2954545 0.2273300), wk = 0.0027100 k( 202) = ( 0.0000000 0.3068182 0.2273300), wk = 0.0027100 k( 203) = ( 0.0000000 0.3181818 0.2273300), wk = 0.0027100 k( 204) = ( 0.0000000 0.3295455 0.2273300), wk = 0.0027100 k( 205) = ( 0.0000000 0.3409091 0.2273300), wk = 0.0027100 k( 206) = ( 0.0000000 0.3522727 0.2273300), wk = 0.0027100 k( 207) = ( 0.0000000 0.3636364 0.2273300), wk = 0.0027100 k( 208) = ( 0.0000000 0.3750000 0.2273300), wk = 0.0027100 k( 209) = ( 0.0000000 0.3863636 0.2273300), wk = 0.0027100 k( 210) = ( 0.0000000 0.3977273 0.2273300), wk = 0.0027100 k( 211) = ( 0.0000000 0.4090909 0.2273300), wk = 0.0027100 k( 212) = ( 0.0000000 0.4204545 0.2273300), wk = 0.0027100 k( 213) = ( 0.0000000 0.4318182 0.2273300), wk = 0.0027100 k( 214) = ( 0.0000000 0.4431818 0.2273300), wk = 0.0027100 k( 215) = ( 0.0000000 0.4545455 0.2273300), wk = 0.0027100 k( 216) = ( 0.0000000 0.4659091 0.2273300), wk = 0.0027100 k( 217) = ( 0.0000000 0.4772727 0.2273300), wk = 0.0027100 k( 218) = ( 0.0000000 0.4886364 0.2273300), wk = 0.0027100 k( 219) = ( 0.0000000 0.5000000 0.2273300), wk = 0.0027100 k( 220) = ( 0.0000000 0.5000000 0.2273300), wk = 0.0027100 k( 221) = ( 0.0113636 0.5000000 0.2273300), wk = 0.0027100 k( 222) = ( 0.0227273 0.5000000 0.2273300), wk = 0.0027100 k( 223) = ( 0.0340909 0.5000000 0.2273300), wk = 0.0027100 k( 224) = ( 0.0454546 0.5000000 0.2273300), wk = 0.0027100 k( 225) = ( 0.0568182 0.5000000 0.2273300), wk = 0.0027100 k( 226) = ( 0.0681818 0.5000000 0.2273300), wk = 0.0027100 k( 227) = ( 0.0795455 0.5000000 0.2273300), wk = 0.0027100 k( 228) = ( 0.0909091 0.5000000 0.2273300), wk = 0.0027100 k( 229) = ( 0.1022727 0.5000000 0.2273300), wk = 0.0027100 k( 230) = ( 0.1136364 0.5000000 0.2273300), wk = 0.0027100 k( 231) = ( 0.1250000 0.5000000 0.2273300), wk = 0.0027100 k( 232) = ( 0.1363636 0.5000000 0.2273300), wk = 0.0027100 k( 233) = ( 0.1477273 0.5000000 0.2273300), wk = 0.0027100 k( 234) = ( 0.1590909 0.5000000 0.2273300), wk = 0.0027100 k( 235) = ( 0.1704546 0.5000000 0.2273300), wk = 0.0027100 k( 236) = ( 0.1818182 0.5000000 0.2273300), wk = 0.0027100 k( 237) = ( 0.1931818 0.5000000 0.2273300), wk = 0.0027100 k( 238) = ( 0.2045454 0.5000000 0.2273300), wk = 0.0027100 k( 239) = ( 0.2159091 0.5000000 0.2273300), wk = 0.0027100 k( 240) = ( 0.2272727 0.5000000 0.2273300), wk = 0.0027100 k( 241) = ( 0.2386364 0.5000000 0.2273300), wk = 0.0027100 k( 242) = ( 0.2500000 0.5000000 0.2273300), wk = 0.0027100 k( 243) = ( 0.2613636 0.5000000 0.2273300), wk = 0.0027100 k( 244) = ( 0.2727273 0.5000000 0.2273300), wk = 0.0027100 k( 245) = ( 0.2840909 0.5000000 0.2273300), wk = 0.0027100 k( 246) = ( 0.2954545 0.5000000 0.2273300), wk = 0.0027100 k( 247) = ( 0.3068182 0.5000000 0.2273300), wk = 0.0027100 k( 248) = ( 0.3181818 0.5000000 0.2273300), wk = 0.0027100 k( 249) = ( 0.3295455 0.5000000 0.2273300), wk = 0.0027100 k( 250) = ( 0.3409091 0.5000000 0.2273300), wk = 0.0027100 k( 251) = ( 0.3522727 0.5000000 0.2273300), wk = 0.0027100 k( 252) = ( 0.3636364 0.5000000 0.2273300), wk = 0.0027100 k( 253) = ( 0.3750000 0.5000000 0.2273300), wk = 0.0027100 k( 254) = ( 0.3863636 0.5000000 0.2273300), wk = 0.0027100 k( 255) = ( 0.3977273 0.5000000 0.2273300), wk = 0.0027100 k( 256) = ( 0.4090909 0.5000000 0.2273300), wk = 0.0027100 k( 257) = ( 0.4204545 0.5000000 0.2273300), wk = 0.0027100 k( 258) = ( 0.4318182 0.5000000 0.2273300), wk = 0.0027100 k( 259) = ( 0.4431818 0.5000000 0.2273300), wk = 0.0027100 k( 260) = ( 0.4545455 0.5000000 0.2273300), wk = 0.0027100 k( 261) = ( 0.4659091 0.5000000 0.2273300), wk = 0.0027100 k( 262) = ( 0.4772727 0.5000000 0.2273300), wk = 0.0027100 k( 263) = ( 0.4886364 0.5000000 0.2273300), wk = 0.0027100 k( 264) = ( 0.5000000 0.5000000 0.2273300), wk = 0.0027100 k( 265) = ( 0.5000000 0.5000000 0.2273300), wk = 0.0027100 k( 266) = ( 0.4919355 0.4919355 0.2273300), wk = 0.0027100 k( 267) = ( 0.4838710 0.4838710 0.2273300), wk = 0.0027100 k( 268) = ( 0.4758064 0.4758064 0.2273300), wk = 0.0027100 k( 269) = ( 0.4677419 0.4677419 0.2273300), wk = 0.0027100 k( 270) = ( 0.4596774 0.4596774 0.2273300), wk = 0.0027100 k( 271) = ( 0.4516129 0.4516129 0.2273300), wk = 0.0027100 k( 272) = ( 0.4435484 0.4435484 0.2273300), wk = 0.0027100 k( 273) = ( 0.4354839 0.4354839 0.2273300), wk = 0.0027100 k( 274) = ( 0.4274193 0.4274193 0.2273300), wk = 0.0027100 k( 275) = ( 0.4193548 0.4193548 0.2273300), wk = 0.0027100 k( 276) = ( 0.4112903 0.4112903 0.2273300), wk = 0.0027100 k( 277) = ( 0.4032258 0.4032258 0.2273300), wk = 0.0027100 k( 278) = ( 0.3951613 0.3951613 0.2273300), wk = 0.0027100 k( 279) = ( 0.3870968 0.3870968 0.2273300), wk = 0.0027100 k( 280) = ( 0.3790323 0.3790323 0.2273300), wk = 0.0027100 k( 281) = ( 0.3709677 0.3709677 0.2273300), wk = 0.0027100 k( 282) = ( 0.3629032 0.3629032 0.2273300), wk = 0.0027100 k( 283) = ( 0.3548387 0.3548387 0.2273300), wk = 0.0027100 k( 284) = ( 0.3467742 0.3467742 0.2273300), wk = 0.0027100 k( 285) = ( 0.3387097 0.3387097 0.2273300), wk = 0.0027100 k( 286) = ( 0.3306452 0.3306452 0.2273300), wk = 0.0027100 k( 287) = ( 0.3225807 0.3225806 0.2273300), wk = 0.0027100 k( 288) = ( 0.3145161 0.3145161 0.2273300), wk = 0.0027100 k( 289) = ( 0.3064516 0.3064516 0.2273300), wk = 0.0027100 k( 290) = ( 0.2983871 0.2983871 0.2273300), wk = 0.0027100 k( 291) = ( 0.2903226 0.2903226 0.2273300), wk = 0.0027100 k( 292) = ( 0.2822581 0.2822581 0.2273300), wk = 0.0027100 k( 293) = ( 0.2741936 0.2741936 0.2273300), wk = 0.0027100 k( 294) = ( 0.2661290 0.2661290 0.2273300), wk = 0.0027100 k( 295) = ( 0.2580645 0.2580645 0.2273300), wk = 0.0027100 k( 296) = ( 0.2500000 0.2500000 0.2273300), wk = 0.0027100 k( 297) = ( 0.2419355 0.2419355 0.2273300), wk = 0.0027100 k( 298) = ( 0.2338710 0.2338710 0.2273300), wk = 0.0027100 k( 299) = ( 0.2258064 0.2258064 0.2273300), wk = 0.0027100 k( 300) = ( 0.2177419 0.2177419 0.2273300), wk = 0.0027100 k( 301) = ( 0.2096774 0.2096774 0.2273300), wk = 0.0027100 k( 302) = ( 0.2016129 0.2016129 0.2273300), wk = 0.0027100 k( 303) = ( 0.1935484 0.1935484 0.2273300), wk = 0.0027100 k( 304) = ( 0.1854839 0.1854839 0.2273300), wk = 0.0027100 k( 305) = ( 0.1774194 0.1774193 0.2273300), wk = 0.0027100 k( 306) = ( 0.1693548 0.1693548 0.2273300), wk = 0.0027100 k( 307) = ( 0.1612903 0.1612903 0.2273300), wk = 0.0027100 k( 308) = ( 0.1532258 0.1532258 0.2273300), wk = 0.0027100 k( 309) = ( 0.1451613 0.1451613 0.2273300), wk = 0.0027100 k( 310) = ( 0.1370968 0.1370968 0.2273300), wk = 0.0027100 k( 311) = ( 0.1290323 0.1290323 0.2273300), wk = 0.0027100 k( 312) = ( 0.1209677 0.1209677 0.2273300), wk = 0.0027100 k( 313) = ( 0.1129032 0.1129032 0.2273300), wk = 0.0027100 k( 314) = ( 0.1048387 0.1048387 0.2273300), wk = 0.0027100 k( 315) = ( 0.0967742 0.0967742 0.2273300), wk = 0.0027100 k( 316) = ( 0.0887097 0.0887097 0.2273300), wk = 0.0027100 k( 317) = ( 0.0806452 0.0806452 0.2273300), wk = 0.0027100 k( 318) = ( 0.0725806 0.0725806 0.2273300), wk = 0.0027100 k( 319) = ( 0.0645161 0.0645161 0.2273300), wk = 0.0027100 k( 320) = ( 0.0564516 0.0564516 0.2273300), wk = 0.0027100 k( 321) = ( 0.0483871 0.0483871 0.2273300), wk = 0.0027100 k( 322) = ( 0.0403226 0.0403226 0.2273300), wk = 0.0027100 k( 323) = ( 0.0322581 0.0322581 0.2273300), wk = 0.0027100 k( 324) = ( 0.0241936 0.0241935 0.2273300), wk = 0.0027100 k( 325) = ( 0.0161290 0.0161290 0.2273300), wk = 0.0027100 k( 326) = ( 0.0080645 0.0080645 0.2273300), wk = 0.0027100 k( 327) = ( 0.0000000 0.0000000 0.2273300), wk = 0.0027100 k( 328) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 329) = ( 0.0000000 0.5000000 0.0113665), wk = 0.0027100 k( 330) = ( 0.0000000 0.5000000 0.0227330), wk = 0.0027100 k( 331) = ( 0.0000000 0.5000000 0.0340995), wk = 0.0027100 k( 332) = ( 0.0000000 0.5000000 0.0454660), wk = 0.0027100 k( 333) = ( 0.0000000 0.5000000 0.0568325), wk = 0.0027100 k( 334) = ( 0.0000000 0.5000000 0.0681990), wk = 0.0027100 k( 335) = ( 0.0000000 0.5000000 0.0795655), wk = 0.0027100 k( 336) = ( 0.0000000 0.5000000 0.0909320), wk = 0.0027100 k( 337) = ( 0.0000000 0.5000000 0.1022985), wk = 0.0027100 k( 338) = ( 0.0000000 0.5000000 0.1136650), wk = 0.0027100 k( 339) = ( 0.0000000 0.5000000 0.1250315), wk = 0.0027100 k( 340) = ( 0.0000000 0.5000000 0.1363980), wk = 0.0027100 k( 341) = ( 0.0000000 0.5000000 0.1477645), wk = 0.0027100 k( 342) = ( 0.0000000 0.5000000 0.1591310), wk = 0.0027100 k( 343) = ( 0.0000000 0.5000000 0.1704975), wk = 0.0027100 k( 344) = ( 0.0000000 0.5000000 0.1818640), wk = 0.0027100 k( 345) = ( 0.0000000 0.5000000 0.1932305), wk = 0.0027100 k( 346) = ( 0.0000000 0.5000000 0.2045970), wk = 0.0027100 k( 347) = ( 0.0000000 0.5000000 0.2159635), wk = 0.0027100 k( 348) = ( 0.0000000 0.5000000 0.2273300), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.0113665), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.0227330), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.0340995), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.0454660), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.0568325), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.0681990), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.0795655), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.0909320), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.1022985), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.1136650), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.1250315), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.1363980), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.1477645), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.1591310), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.1704975), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.1818640), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.1932305), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.2045970), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.2159635), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.2273300), wk = 0.0027100 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0027100 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0027100 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0027100 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0027100 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0027100 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0027100 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0027100 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0027100 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0027100 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0027100 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027100 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0027100 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0027100 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0027100 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0027100 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0027100 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0027100 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0027100 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0027100 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0027100 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0027100 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027100 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0027100 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0027100 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027100 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027100 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027100 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027100 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0027100 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027100 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027100 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0027100 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0027100 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0027100 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0027100 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0027100 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0027100 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0027100 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0027100 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0027100 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0027100 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0027100 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0027100 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0027100 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0027100 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0027100 k( 95) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0027100 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0027100 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0027100 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027100 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0027100 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0027100 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0027100 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0027100 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0027100 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027100 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0027100 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0027100 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0027100 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0027100 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0027100 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027100 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027100 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0027100 k( 113) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0027100 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0027100 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0027100 k( 116) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0027100 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0027100 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0027100 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0027100 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0027100 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0027100 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027100 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0027100 k( 124) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0027100 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0027100 k( 126) = ( 0.2177419 0.2177419 0.0000000), wk = 0.0027100 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0027100 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0027100 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027100 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0027100 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0027100 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027100 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0027100 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027100 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0027100 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0027100 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0027100 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0027100 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0027100 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0027100 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0027100 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0027100 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0027100 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0027100 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0027100 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0027100 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0027100 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0027100 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0027100 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0027100 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0027100 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 176) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0027100 k( 177) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0027100 k( 178) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0027100 k( 179) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0027100 k( 180) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0027100 k( 181) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0027100 k( 182) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0027100 k( 183) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0027100 k( 184) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0027100 k( 185) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0027100 k( 186) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027100 k( 187) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0027100 k( 188) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0027100 k( 189) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0027100 k( 190) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0027100 k( 191) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0027100 k( 192) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0027100 k( 193) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0027100 k( 194) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0027100 k( 195) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0027100 k( 196) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0027100 k( 197) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027100 k( 198) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0027100 k( 199) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0027100 k( 200) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0027100 k( 201) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0027100 k( 202) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0027100 k( 203) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0027100 k( 204) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0027100 k( 205) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0027100 k( 206) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0027100 k( 207) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0027100 k( 208) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027100 k( 209) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0027100 k( 210) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0027100 k( 211) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0027100 k( 212) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0027100 k( 213) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0027100 k( 214) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0027100 k( 215) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0027100 k( 216) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0027100 k( 217) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0027100 k( 218) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0027100 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 221) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0027100 k( 222) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0027100 k( 223) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0027100 k( 224) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0027100 k( 225) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0027100 k( 226) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0027100 k( 227) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0027100 k( 228) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0027100 k( 229) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0027100 k( 230) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0027100 k( 231) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027100 k( 232) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0027100 k( 233) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0027100 k( 234) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0027100 k( 235) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0027100 k( 236) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0027100 k( 237) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0027100 k( 238) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0027100 k( 239) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0027100 k( 240) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0027100 k( 241) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0027100 k( 242) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027100 k( 243) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0027100 k( 244) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0027100 k( 245) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0027100 k( 246) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0027100 k( 247) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0027100 k( 248) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0027100 k( 249) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0027100 k( 250) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0027100 k( 251) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0027100 k( 252) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0027100 k( 253) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027100 k( 254) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0027100 k( 255) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0027100 k( 256) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0027100 k( 257) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0027100 k( 258) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0027100 k( 259) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0027100 k( 260) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0027100 k( 261) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0027100 k( 262) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0027100 k( 263) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0027100 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 266) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0027100 k( 267) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0027100 k( 268) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0027100 k( 269) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0027100 k( 270) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0027100 k( 271) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0027100 k( 272) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0027100 k( 273) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0027100 k( 274) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0027100 k( 275) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0027100 k( 276) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0027100 k( 277) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0027100 k( 278) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0027100 k( 279) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0027100 k( 280) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0027100 k( 281) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0027100 k( 282) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0027100 k( 283) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0027100 k( 284) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0027100 k( 285) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0027100 k( 286) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0027100 k( 287) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0027100 k( 288) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0027100 k( 289) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0027100 k( 290) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0027100 k( 291) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0027100 k( 292) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0027100 k( 293) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0027100 k( 294) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0027100 k( 295) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0027100 k( 296) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027100 k( 297) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0027100 k( 298) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0027100 k( 299) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0027100 k( 300) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0027100 k( 301) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0027100 k( 302) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0027100 k( 303) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0027100 k( 304) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0027100 k( 305) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0027100 k( 306) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0027100 k( 307) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0027100 k( 308) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0027100 k( 309) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0027100 k( 310) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0027100 k( 311) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0027100 k( 312) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0027100 k( 313) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0027100 k( 314) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0027100 k( 315) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0027100 k( 316) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0027100 k( 317) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0027100 k( 318) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0027100 k( 319) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0027100 k( 320) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0027100 k( 321) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0027100 k( 322) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0027100 k( 323) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0027100 k( 324) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0027100 k( 325) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0027100 k( 326) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0027100 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 328) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 329) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0027100 k( 330) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0027100 k( 331) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0027100 k( 332) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0027100 k( 333) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027100 k( 334) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0027100 k( 335) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0027100 k( 336) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0027100 k( 337) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0027100 k( 338) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027100 k( 339) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0027100 k( 340) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0027100 k( 341) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0027100 k( 342) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0027100 k( 343) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027100 k( 344) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0027100 k( 345) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0027100 k( 346) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0027100 k( 347) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0027100 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 Dense grid: 51145 G-vectors FFT dimensions: ( 36, 36, 80) Smooth grid: 31367 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 228, 52) NL pseudopotentials 0.29 Mb ( 114, 164) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1423) G-vector shells 0.01 Mb ( 725) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 228, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./HfGeS.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.2 secs Computing kpt #: 16 total cpu time spent up to now is 8.6 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.3 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.4 secs Computing kpt #: 24 total cpu time spent up to now is 11.8 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.1 secs Computing kpt #: 31 total cpu time spent up to now is 14.4 secs Computing kpt #: 32 total cpu time spent up to now is 14.8 secs Computing kpt #: 33 total cpu time spent up to now is 15.2 secs Computing kpt #: 34 total cpu time spent up to now is 15.6 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.5 secs Computing kpt #: 37 total cpu time spent up to now is 16.9 secs Computing kpt #: 38 total cpu time spent up to now is 17.4 secs Computing kpt #: 39 total cpu time spent up to now is 17.9 secs Computing kpt #: 40 total cpu time spent up to now is 18.3 secs Computing kpt #: 41 total cpu time spent up to now is 18.7 secs Computing kpt #: 42 total cpu time spent up to now is 19.1 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.9 secs Computing kpt #: 45 total cpu time spent up to now is 20.3 secs Computing kpt #: 46 total cpu time spent up to now is 20.7 secs Computing kpt #: 47 total cpu time spent up to now is 21.1 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.9 secs Computing kpt #: 50 total cpu time spent up to now is 22.3 secs Computing kpt #: 51 total cpu time spent up to now is 22.7 secs Computing kpt #: 52 total cpu time spent up to now is 23.1 secs Computing kpt #: 53 total cpu time spent up to now is 23.5 secs Computing kpt #: 54 total cpu time spent up to now is 23.9 secs Computing kpt #: 55 total cpu time spent up to now is 24.3 secs Computing kpt #: 56 total cpu time spent up to now is 24.7 secs Computing kpt #: 57 total cpu time spent up to now is 25.0 secs Computing kpt #: 58 total cpu time spent up to now is 25.4 secs Computing kpt #: 59 total cpu time spent up to now is 25.8 secs Computing kpt #: 60 total cpu time spent up to now is 26.3 secs Computing kpt #: 61 total cpu time spent up to now is 26.7 secs Computing kpt #: 62 total cpu time spent up to now is 27.1 secs Computing kpt #: 63 total cpu time spent up to now is 27.5 secs Computing kpt #: 64 total cpu time spent up to now is 28.0 secs Computing kpt #: 65 total cpu time spent up to now is 28.4 secs Computing kpt #: 66 total cpu time spent up to now is 28.8 secs Computing kpt #: 67 total cpu time spent up to now is 29.3 secs Computing kpt #: 68 total cpu time spent up to now is 29.8 secs Computing kpt #: 69 total cpu time spent up to now is 30.2 secs Computing kpt #: 70 total cpu time spent up to now is 30.7 secs Computing kpt #: 71 total cpu time spent up to now is 31.2 secs Computing kpt #: 72 total cpu time spent up to now is 31.6 secs Computing kpt #: 73 total cpu time spent up to now is 32.1 secs Computing kpt #: 74 total cpu time spent up to now is 32.6 secs Computing kpt #: 75 total cpu time spent up to now is 33.0 secs Computing kpt #: 76 total cpu time spent up to now is 33.4 secs Computing kpt #: 77 total cpu time spent up to now is 33.9 secs Computing kpt #: 78 total cpu time spent up to now is 34.4 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.3 secs Computing kpt #: 81 total cpu time spent up to now is 35.8 secs Computing kpt #: 82 total cpu time spent up to now is 36.2 secs Computing kpt #: 83 total cpu time spent up to now is 36.7 secs Computing kpt #: 84 total cpu time spent up to now is 37.2 secs Computing kpt #: 85 total cpu time spent up to now is 37.7 secs Computing kpt #: 86 total cpu time spent up to now is 38.1 secs Computing kpt #: 87 total cpu time spent up to now is 38.6 secs Computing kpt #: 88 total cpu time spent up to now is 39.1 secs Computing kpt #: 89 total cpu time spent up to now is 39.6 secs Computing kpt #: 90 total cpu time spent up to now is 40.1 secs Computing kpt #: 91 total cpu time spent up to now is 40.6 secs Computing kpt #: 92 total cpu time spent up to now is 41.1 secs Computing kpt #: 93 total cpu time spent up to now is 41.6 secs Computing kpt #: 94 total cpu time spent up to now is 42.1 secs Computing kpt #: 95 total cpu time spent up to now is 42.6 secs Computing kpt #: 96 total cpu time spent up to now is 43.0 secs Computing kpt #: 97 total cpu time spent up to now is 43.5 secs Computing kpt #: 98 total cpu time spent up to now is 44.0 secs Computing kpt #: 99 total cpu time spent up to now is 44.4 secs Computing kpt #: 100 total cpu time spent up to now is 44.8 secs Computing kpt #: 101 total cpu time spent up to now is 45.3 secs Computing kpt #: 102 total cpu time spent up to now is 45.8 secs Computing kpt #: 103 total cpu time spent up to now is 46.3 secs Computing kpt #: 104 total cpu time spent up to now is 46.8 secs Computing kpt #: 105 total cpu time spent up to now is 47.2 secs Computing kpt #: 106 total cpu time spent up to now is 47.7 secs Computing kpt #: 107 total cpu time spent up to now is 48.2 secs Computing kpt #: 108 total cpu time spent up to now is 48.6 secs Computing kpt #: 109 total cpu time spent up to now is 49.1 secs Computing kpt #: 110 total cpu time spent up to now is 49.6 secs Computing kpt #: 111 total cpu time spent up to now is 50.0 secs Computing kpt #: 112 total cpu time spent up to now is 50.5 secs Computing kpt #: 113 total cpu time spent up to now is 51.0 secs Computing kpt #: 114 total cpu time spent up to now is 51.5 secs Computing kpt #: 115 total cpu time spent up to now is 51.9 secs Computing kpt #: 116 total cpu time spent up to now is 52.4 secs Computing kpt #: 117 total cpu time spent up to now is 52.9 secs Computing kpt #: 118 total cpu time spent up to now is 53.4 secs Computing kpt #: 119 total cpu time spent up to now is 53.9 secs Computing kpt #: 120 total cpu time spent up to now is 54.3 secs Computing kpt #: 121 total cpu time spent up to now is 54.8 secs Computing kpt #: 122 total cpu time spent up to now is 55.2 secs Computing kpt #: 123 total cpu time spent up to now is 55.7 secs Computing kpt #: 124 total cpu time spent up to now is 56.1 secs Computing kpt #: 125 total cpu time spent up to now is 56.6 secs Computing kpt #: 126 total cpu time spent up to now is 57.0 secs Computing kpt #: 127 total cpu time spent up to now is 57.4 secs Computing kpt #: 128 total cpu time spent up to now is 57.8 secs Computing kpt #: 129 total cpu time spent up to now is 58.2 secs Computing kpt #: 130 total cpu time spent up to now is 58.6 secs Computing kpt #: 131 total cpu time spent up to now is 59.1 secs Computing kpt #: 132 total cpu time spent up to now is 59.5 secs Computing kpt #: 133 total cpu time spent up to now is 60.0 secs Computing kpt #: 134 total cpu time spent up to now is 60.4 secs Computing kpt #: 135 total cpu time spent up to now is 60.8 secs Computing kpt #: 136 total cpu time spent up to now is 61.2 secs Computing kpt #: 137 total cpu time spent up to now is 61.6 secs Computing kpt #: 138 total cpu time spent up to now is 61.9 secs Computing kpt #: 139 total cpu time spent up to now is 62.3 secs Computing kpt #: 140 total cpu time spent up to now is 62.7 secs Computing kpt #: 141 total cpu time spent up to now is 63.0 secs Computing kpt #: 142 total cpu time spent up to now is 63.4 secs Computing kpt #: 143 total cpu time spent up to now is 63.8 secs Computing kpt #: 144 total cpu time spent up to now is 64.2 secs Computing kpt #: 145 total cpu time spent up to now is 64.6 secs Computing kpt #: 146 total cpu time spent up to now is 64.9 secs Computing kpt #: 147 total cpu time spent up to now is 65.3 secs Computing kpt #: 148 total cpu time spent up to now is 65.7 secs Computing kpt #: 149 total cpu time spent up to now is 66.2 secs Computing kpt #: 150 total cpu time spent up to now is 66.6 secs Computing kpt #: 151 total cpu time spent up to now is 67.1 secs Computing kpt #: 152 total cpu time spent up to now is 67.6 secs Computing kpt #: 153 total cpu time spent up to now is 68.0 secs Computing kpt #: 154 total cpu time spent up to now is 68.5 secs Computing kpt #: 155 total cpu time spent up to now is 69.0 secs Computing kpt #: 156 total cpu time spent up to now is 69.4 secs Computing kpt #: 157 total cpu time spent up to now is 69.9 secs Computing kpt #: 158 total cpu time spent up to now is 70.4 secs Computing kpt #: 159 total cpu time spent up to now is 70.9 secs Computing kpt #: 160 total cpu time spent up to now is 71.3 secs Computing kpt #: 161 total cpu time spent up to now is 71.8 secs Computing kpt #: 162 total cpu time spent up to now is 72.3 secs Computing kpt #: 163 total cpu time spent up to now is 72.7 secs Computing kpt #: 164 total cpu time spent up to now is 73.2 secs Computing kpt #: 165 total cpu time spent up to now is 73.7 secs Computing kpt #: 166 total cpu time spent up to now is 74.1 secs Computing kpt #: 167 total cpu time spent up to now is 74.6 secs Computing kpt #: 168 total cpu time spent up to now is 75.1 secs Computing kpt #: 169 total cpu time spent up to now is 75.6 secs Computing kpt #: 170 total cpu time spent up to now is 76.0 secs Computing kpt #: 171 total cpu time spent up to now is 76.5 secs Computing kpt #: 172 total cpu time spent up to now is 77.0 secs Computing kpt #: 173 total cpu time spent up to now is 77.4 secs Computing kpt #: 174 total cpu time spent up to now is 77.9 secs Computing kpt #: 175 total cpu time spent up to now is 78.4 secs Computing kpt #: 176 total cpu time spent up to now is 78.8 secs Computing kpt #: 177 total cpu time spent up to now is 79.3 secs Computing kpt #: 178 total cpu time spent up to now is 79.7 secs Computing kpt #: 179 total cpu time spent up to now is 80.2 secs Computing kpt #: 180 total cpu time spent up to now is 80.6 secs Computing kpt #: 181 total cpu time spent up to now is 81.1 secs Computing kpt #: 182 total cpu time spent up to now is 81.6 secs Computing kpt #: 183 total cpu time spent up to now is 82.0 secs Computing kpt #: 184 total cpu time spent up to now is 82.5 secs Computing kpt #: 185 total cpu time spent up to now is 82.9 secs Computing kpt #: 186 total cpu time spent up to now is 83.3 secs Computing kpt #: 187 total cpu time spent up to now is 83.6 secs Computing kpt #: 188 total cpu time spent up to now is 84.0 secs Computing kpt #: 189 total cpu time spent up to now is 84.4 secs Computing kpt #: 190 total cpu time spent up to now is 84.8 secs Computing kpt #: 191 total cpu time spent up to now is 85.1 secs Computing kpt #: 192 total cpu time spent up to now is 85.5 secs Computing kpt #: 193 total cpu time spent up to now is 85.9 secs Computing kpt #: 194 total cpu time spent up to now is 86.3 secs Computing kpt #: 195 total cpu time spent up to now is 86.7 secs Computing kpt #: 196 total cpu time spent up to now is 87.1 secs Computing kpt #: 197 total cpu time spent up to now is 87.5 secs Computing kpt #: 198 total cpu time spent up to now is 87.9 secs Computing kpt #: 199 total cpu time spent up to now is 88.3 secs Computing kpt #: 200 total cpu time spent up to now is 88.7 secs Computing kpt #: 201 total cpu time spent up to now is 89.1 secs Computing kpt #: 202 total cpu time spent up to now is 89.4 secs Computing kpt #: 203 total cpu time spent up to now is 89.8 secs Computing kpt #: 204 total cpu time spent up to now is 90.3 secs Computing kpt #: 205 total cpu time spent up to now is 90.7 secs Computing kpt #: 206 total cpu time spent up to now is 91.1 secs Computing kpt #: 207 total cpu time spent up to now is 91.5 secs Computing kpt #: 208 total cpu time spent up to now is 91.9 secs Computing kpt #: 209 total cpu time spent up to now is 92.3 secs Computing kpt #: 210 total cpu time spent up to now is 92.7 secs Computing kpt #: 211 total cpu time spent up to now is 93.1 secs Computing kpt #: 212 total cpu time spent up to now is 93.6 secs Computing kpt #: 213 total cpu time spent up to now is 94.1 secs Computing kpt #: 214 total cpu time spent up to now is 94.5 secs Computing kpt #: 215 total cpu time spent up to now is 95.0 secs Computing kpt #: 216 total cpu time spent up to now is 95.4 secs Computing kpt #: 217 total cpu time spent up to now is 95.8 secs Computing kpt #: 218 total cpu time spent up to now is 96.1 secs Computing kpt #: 219 total cpu time spent up to now is 96.5 secs Computing kpt #: 220 total cpu time spent up to now is 96.9 secs Computing kpt #: 221 total cpu time spent up to now is 97.3 secs Computing kpt #: 222 total cpu time spent up to now is 97.7 secs Computing kpt #: 223 total cpu time spent up to now is 98.1 secs Computing kpt #: 224 total cpu time spent up to now is 98.5 secs Computing kpt #: 225 total cpu time spent up to now is 98.9 secs Computing kpt #: 226 total cpu time spent up to now is 99.3 secs Computing kpt #: 227 total cpu time spent up to now is 99.7 secs Computing kpt #: 228 total cpu time spent up to now is 100.1 secs Computing kpt #: 229 total cpu time spent up to now is 100.5 secs Computing kpt #: 230 total cpu time spent up to now is 100.8 secs Computing kpt #: 231 total cpu time spent up to now is 101.2 secs Computing kpt #: 232 total cpu time spent up to now is 101.7 secs Computing kpt #: 233 total cpu time spent up to now is 102.1 secs Computing kpt #: 234 total cpu time spent up to now is 102.5 secs Computing kpt #: 235 total cpu time spent up to now is 102.9 secs Computing kpt #: 236 total cpu time spent up to now is 103.3 secs Computing kpt #: 237 total cpu time spent up to now is 103.7 secs Computing kpt #: 238 total cpu time spent up to now is 104.3 secs Computing kpt #: 239 total cpu time spent up to now is 104.7 secs Computing kpt #: 240 total cpu time spent up to now is 105.2 secs Computing kpt #: 241 total cpu time spent up to now is 105.7 secs Computing kpt #: 242 total cpu time spent up to now is 106.2 secs Computing kpt #: 243 total cpu time spent up to now is 106.7 secs Computing kpt #: 244 total cpu time spent up to now is 107.1 secs Computing kpt #: 245 total cpu time spent up to now is 107.6 secs Computing kpt #: 246 total cpu time spent up to now is 108.1 secs Computing kpt #: 247 total cpu time spent up to now is 108.6 secs Computing kpt #: 248 total cpu time spent up to now is 109.1 secs Computing kpt #: 249 total cpu time spent up to now is 109.5 secs Computing kpt #: 250 total cpu time spent up to now is 110.0 secs Computing kpt #: 251 total cpu time spent up to now is 110.5 secs Computing kpt #: 252 total cpu time spent up to now is 110.9 secs Computing kpt #: 253 total cpu time spent up to now is 111.3 secs Computing kpt #: 254 total cpu time spent up to now is 111.7 secs Computing kpt #: 255 total cpu time spent up to now is 112.1 secs Computing kpt #: 256 total cpu time spent up to now is 112.5 secs Computing kpt #: 257 total cpu time spent up to now is 112.9 secs Computing kpt #: 258 total cpu time spent up to now is 113.4 secs Computing kpt #: 259 total cpu time spent up to now is 113.8 secs Computing kpt #: 260 total cpu time spent up to now is 114.3 secs Computing kpt #: 261 total cpu time spent up to now is 114.7 secs Computing kpt #: 262 total cpu time spent up to now is 115.2 secs Computing kpt #: 263 total cpu time spent up to now is 115.7 secs Computing kpt #: 264 total cpu time spent up to now is 116.1 secs Computing kpt #: 265 total cpu time spent up to now is 116.6 secs Computing kpt #: 266 total cpu time spent up to now is 117.1 secs Computing kpt #: 267 total cpu time spent up to now is 117.5 secs Computing kpt #: 268 total cpu time spent up to now is 118.0 secs Computing kpt #: 269 total cpu time spent up to now is 118.5 secs Computing kpt #: 270 total cpu time spent up to now is 119.0 secs Computing kpt #: 271 total cpu time spent up to now is 119.5 secs Computing kpt #: 272 total cpu time spent up to now is 120.0 secs Computing kpt #: 273 total cpu time spent up to now is 120.4 secs Computing kpt #: 274 total cpu time spent up to now is 120.9 secs Computing kpt #: 275 total cpu time spent up to now is 121.4 secs Computing kpt #: 276 total cpu time spent up to now is 121.9 secs Computing kpt #: 277 total cpu time spent up to now is 122.3 secs Computing kpt #: 278 total cpu time spent up to now is 122.8 secs Computing kpt #: 279 total cpu time spent up to now is 123.3 secs Computing kpt #: 280 total cpu time spent up to now is 123.8 secs Computing kpt #: 281 total cpu time spent up to now is 124.3 secs Computing kpt #: 282 total cpu time spent up to now is 124.7 secs Computing kpt #: 283 total cpu time spent up to now is 125.2 secs Computing kpt #: 284 total cpu time spent up to now is 125.6 secs Computing kpt #: 285 total cpu time spent up to now is 126.0 secs Computing kpt #: 286 total cpu time spent up to now is 126.4 secs Computing kpt #: 287 total cpu time spent up to now is 126.8 secs Computing kpt #: 288 total cpu time spent up to now is 127.2 secs Computing kpt #: 289 total cpu time spent up to now is 127.6 secs Computing kpt #: 290 total cpu time spent up to now is 128.0 secs Computing kpt #: 291 total cpu time spent up to now is 128.4 secs Computing kpt #: 292 total cpu time spent up to now is 128.8 secs Computing kpt #: 293 total cpu time spent up to now is 129.2 secs Computing kpt #: 294 total cpu time spent up to now is 129.6 secs Computing kpt #: 295 total cpu time spent up to now is 130.0 secs Computing kpt #: 296 total cpu time spent up to now is 130.4 secs Computing kpt #: 297 total cpu time spent up to now is 130.9 secs Computing kpt #: 298 total cpu time spent up to now is 131.3 secs Computing kpt #: 299 total cpu time spent up to now is 131.8 secs Computing kpt #: 300 total cpu time spent up to now is 132.2 secs Computing kpt #: 301 total cpu time spent up to now is 132.7 secs Computing kpt #: 302 total cpu time spent up to now is 133.1 secs Computing kpt #: 303 total cpu time spent up to now is 133.6 secs Computing kpt #: 304 total cpu time spent up to now is 134.0 secs Computing kpt #: 305 total cpu time spent up to now is 134.5 secs Computing kpt #: 306 total cpu time spent up to now is 134.9 secs Computing kpt #: 307 total cpu time spent up to now is 135.4 secs Computing kpt #: 308 total cpu time spent up to now is 135.8 secs Computing kpt #: 309 total cpu time spent up to now is 136.3 secs Computing kpt #: 310 total cpu time spent up to now is 136.7 secs Computing kpt #: 311 total cpu time spent up to now is 137.1 secs Computing kpt #: 312 total cpu time spent up to now is 137.5 secs Computing kpt #: 313 total cpu time spent up to now is 137.9 secs Computing kpt #: 314 total cpu time spent up to now is 138.3 secs Computing kpt #: 315 total cpu time spent up to now is 138.7 secs Computing kpt #: 316 total cpu time spent up to now is 139.1 secs Computing kpt #: 317 total cpu time spent up to now is 139.5 secs Computing kpt #: 318 total cpu time spent up to now is 139.9 secs Computing kpt #: 319 total cpu time spent up to now is 140.4 secs Computing kpt #: 320 total cpu time spent up to now is 140.9 secs Computing kpt #: 321 total cpu time spent up to now is 141.3 secs Computing kpt #: 322 total cpu time spent up to now is 141.8 secs Computing kpt #: 323 total cpu time spent up to now is 142.2 secs Computing kpt #: 324 total cpu time spent up to now is 142.7 secs Computing kpt #: 325 total cpu time spent up to now is 143.1 secs Computing kpt #: 326 total cpu time spent up to now is 143.6 secs Computing kpt #: 327 total cpu time spent up to now is 144.0 secs Computing kpt #: 328 total cpu time spent up to now is 144.4 secs Computing kpt #: 329 total cpu time spent up to now is 144.8 secs Computing kpt #: 330 total cpu time spent up to now is 145.2 secs Computing kpt #: 331 total cpu time spent up to now is 145.6 secs Computing kpt #: 332 total cpu time spent up to now is 146.0 secs Computing kpt #: 333 total cpu time spent up to now is 146.4 secs Computing kpt #: 334 total cpu time spent up to now is 146.8 secs Computing kpt #: 335 total cpu time spent up to now is 147.2 secs Computing kpt #: 336 total cpu time spent up to now is 147.6 secs Computing kpt #: 337 total cpu time spent up to now is 148.0 secs Computing kpt #: 338 total cpu time spent up to now is 148.5 secs Computing kpt #: 339 total cpu time spent up to now is 148.9 secs Computing kpt #: 340 total cpu time spent up to now is 149.3 secs Computing kpt #: 341 total cpu time spent up to now is 149.7 secs Computing kpt #: 342 total cpu time spent up to now is 150.1 secs Computing kpt #: 343 total cpu time spent up to now is 150.5 secs Computing kpt #: 344 total cpu time spent up to now is 150.9 secs Computing kpt #: 345 total cpu time spent up to now is 151.3 secs Computing kpt #: 346 total cpu time spent up to now is 151.7 secs Computing kpt #: 347 total cpu time spent up to now is 152.1 secs Computing kpt #: 348 total cpu time spent up to now is 152.5 secs Computing kpt #: 349 total cpu time spent up to now is 153.0 secs Computing kpt #: 350 total cpu time spent up to now is 153.5 secs Computing kpt #: 351 total cpu time spent up to now is 154.0 secs Computing kpt #: 352 total cpu time spent up to now is 154.4 secs Computing kpt #: 353 total cpu time spent up to now is 154.9 secs Computing kpt #: 354 total cpu time spent up to now is 155.4 secs Computing kpt #: 355 total cpu time spent up to now is 155.8 secs Computing kpt #: 356 total cpu time spent up to now is 156.2 secs Computing kpt #: 357 total cpu time spent up to now is 156.6 secs Computing kpt #: 358 total cpu time spent up to now is 157.1 secs Computing kpt #: 359 total cpu time spent up to now is 157.6 secs Computing kpt #: 360 total cpu time spent up to now is 158.0 secs Computing kpt #: 361 total cpu time spent up to now is 158.5 secs Computing kpt #: 362 total cpu time spent up to now is 159.0 secs Computing kpt #: 363 total cpu time spent up to now is 159.5 secs Computing kpt #: 364 total cpu time spent up to now is 159.9 secs Computing kpt #: 365 total cpu time spent up to now is 160.4 secs Computing kpt #: 366 total cpu time spent up to now is 160.9 secs Computing kpt #: 367 total cpu time spent up to now is 161.3 secs Computing kpt #: 368 total cpu time spent up to now is 161.8 secs Computing kpt #: 369 total cpu time spent up to now is 162.2 secs ethr = 2.27E-08, avg # of iterations = 20.5 total cpu time spent up to now is 162.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2872 -24.2872 -16.5946 -16.5946 -16.5553 -16.5553 -16.5448 -16.5448 -16.5377 -16.5377 -2.6161 -2.6161 -0.9400 -0.9400 0.1823 0.1823 6.8269 6.8269 6.8798 6.8798 8.3175 8.3175 8.4748 8.4748 8.9631 8.9631 10.0435 10.0435 10.0963 10.0963 10.3211 10.3211 10.5252 10.5252 10.6038 10.6038 11.4669 11.4669 12.6042 12.6042 13.3487 13.3487 14.1879 14.1879 14.2614 14.2614 k = 0.0000 0.0114-0.0000 ( 3935 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2872 -24.2872 -16.5946 -16.5946 -16.5553 -16.5553 -16.5449 -16.5449 -16.5378 -16.5378 -2.6150 -2.6150 -0.9394 -0.9394 0.1836 0.1836 6.8280 6.8280 6.8761 6.8761 8.3175 8.3175 8.4745 8.4745 8.9480 8.9480 10.0485 10.0485 10.1011 10.1011 10.3093 10.3093 10.4990 10.4990 10.6345 10.6345 11.4670 11.4670 12.6124 12.6124 13.3525 13.3525 14.1700 14.1700 14.2749 14.2749 k = 0.0000 0.0227-0.0000 ( 3931 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2873 -24.2873 -16.5946 -16.5946 -16.5554 -16.5554 -16.5452 -16.5452 -16.5381 -16.5381 -2.6114 -2.6114 -0.9376 -0.9376 0.1873 0.1873 6.8313 6.8313 6.8651 6.8651 8.3174 8.3174 8.4739 8.4739 8.9043 8.9043 10.0597 10.0597 10.1179 10.1179 10.2738 10.2738 10.4596 10.4596 10.6876 10.6876 11.4673 11.4673 12.6365 12.6365 13.3640 13.3640 14.1374 14.1374 14.2861 14.2861 k = 0.0000 0.0341-0.0000 ( 3931 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2935 -24.2935 -24.2874 -24.2874 -16.5946 -16.5946 -16.5556 -16.5556 -16.5457 -16.5457 -16.5386 -16.5386 -2.6056 -2.6056 -0.9346 -0.9346 0.1935 0.1935 6.8368 6.8368 6.8470 6.8470 8.3172 8.3172 8.4725 8.4725 8.8362 8.8362 10.0710 10.0710 10.1500 10.1500 10.2170 10.2170 10.4245 10.4245 10.7435 10.7435 11.4676 11.4676 12.6750 12.6750 13.3834 13.3834 14.1044 14.1044 14.2782 14.2782 k = 0.0000 0.0455-0.0000 ( 3931 PWs) bands (ev): -49.9915 -49.9915 -49.9911 -49.9911 -24.2936 -24.2936 -24.2876 -24.2876 -16.5946 -16.5946 -16.5558 -16.5558 -16.5464 -16.5464 -16.5393 -16.5393 -2.5975 -2.5975 -0.9304 -0.9304 0.2021 0.2021 6.8218 6.8218 6.8444 6.8444 8.3161 8.3161 8.4699 8.4699 8.7494 8.7494 10.0813 10.0813 10.1438 10.1438 10.1962 10.1962 10.3919 10.3919 10.7990 10.7990 11.4679 11.4679 12.7259 12.7259 13.4109 13.4109 14.0743 14.0743 14.2580 14.2580 k = 0.0000 0.0568-0.0000 ( 3939 PWs) bands (ev): -49.9915 -49.9915 -49.9911 -49.9911 -24.2938 -24.2938 -24.2879 -24.2879 -16.5947 -16.5947 -16.5563 -16.5563 -16.5472 -16.5472 -16.5402 -16.5402 -2.5870 -2.5870 -0.9251 -0.9251 0.2132 0.2132 6.7901 6.7901 6.8541 6.8541 8.3127 8.3127 8.4634 8.4634 8.6524 8.6524 10.0607 10.0607 10.0920 10.0920 10.2506 10.2506 10.3586 10.3586 10.8533 10.8533 11.4678 11.4678 12.7863 12.7863 13.4466 13.4466 14.0483 14.0483 14.2301 14.2301 k = 0.0000 0.0682-0.0000 ( 3939 PWs) bands (ev): -49.9914 -49.9914 -49.9911 -49.9911 -24.2941 -24.2941 -24.2882 -24.2882 -16.5949 -16.5949 -16.5568 -16.5568 -16.5483 -16.5483 -16.5411 -16.5411 -2.5742 -2.5742 -0.9188 -0.9188 0.2268 0.2268 6.7521 6.7521 6.8660 6.8660 8.3013 8.3013 8.4432 8.4432 8.5647 8.5647 9.9696 9.9696 10.1039 10.1039 10.3081 10.3081 10.3262 10.3262 10.9063 10.9063 11.4672 11.4672 12.8532 12.8532 13.4904 13.4904 14.0271 14.0271 14.1967 14.1967 k = 0.0000 0.0795-0.0000 ( 3943 PWs) bands (ev): -49.9914 -49.9914 -49.9910 -49.9910 -24.2944 -24.2944 -24.2885 -24.2885 -16.5951 -16.5951 -16.5576 -16.5576 -16.5494 -16.5494 -16.5421 -16.5421 -2.5592 -2.5592 -0.9114 -0.9114 0.2429 0.2429 6.7084 6.7084 6.8798 6.8798 8.2603 8.2603 8.3988 8.3988 8.5214 8.5214 9.8724 9.8724 10.1174 10.1174 10.2815 10.2815 10.3790 10.3790 10.9579 10.9579 11.4661 11.4661 12.9234 12.9234 13.5413 13.5413 14.0117 14.0117 14.1594 14.1594 k = 0.0000 0.0909-0.0000 ( 3945 PWs) bands (ev): -49.9913 -49.9913 -49.9909 -49.9909 -24.2947 -24.2947 -24.2889 -24.2889 -16.5953 -16.5953 -16.5587 -16.5587 -16.5507 -16.5507 -16.5430 -16.5430 -2.5420 -2.5420 -0.9031 -0.9031 0.2615 0.2615 6.6594 6.6594 6.8957 6.8957 8.1618 8.1618 8.3712 8.3712 8.5118 8.5118 9.7703 9.7703 10.1329 10.1329 10.2387 10.2387 10.4480 10.4480 11.0082 11.0082 11.4644 11.4644 12.9943 12.9943 13.5968 13.5968 14.0040 14.0040 14.1200 14.1200 k = 0.0000 0.1023-0.0000 ( 3947 PWs) bands (ev): -49.9912 -49.9912 -49.9909 -49.9909 -24.2950 -24.2950 -24.2894 -24.2894 -16.5957 -16.5957 -16.5602 -16.5602 -16.5520 -16.5520 -16.5438 -16.5438 -2.5226 -2.5226 -0.8938 -0.8938 0.2825 0.2825 6.6058 6.6058 6.9134 6.9134 8.0281 8.0281 8.3630 8.3630 8.5132 8.5132 9.6640 9.6640 10.1498 10.1498 10.1928 10.1928 10.5199 10.5199 11.0575 11.0575 11.4619 11.4619 13.0639 13.0639 13.6515 13.6515 14.0073 14.0073 14.0807 14.0807 k = 0.0000 0.1136-0.0000 ( 3943 PWs) bands (ev): -49.9912 -49.9912 -49.9908 -49.9908 -24.2953 -24.2953 -24.2898 -24.2898 -16.5962 -16.5962 -16.5620 -16.5620 -16.5533 -16.5533 -16.5443 -16.5443 -2.5010 -2.5010 -0.8838 -0.8838 0.3061 0.3061 6.5481 6.5481 6.9329 6.9329 7.8798 7.8798 8.3610 8.3610 8.5195 8.5195 9.5544 9.5544 10.1396 10.1396 10.1731 10.1731 10.5939 10.5939 11.1057 11.1057 11.4588 11.4588 13.1309 13.1309 13.6971 13.6971 14.0226 14.0226 14.0480 14.0480 k = 0.0000 0.1250-0.0000 ( 3951 PWs) bands (ev): -49.9911 -49.9911 -49.9907 -49.9907 -24.2959 -24.2959 -24.2903 -24.2903 -16.5970 -16.5970 -16.5643 -16.5643 -16.5546 -16.5546 -16.5448 -16.5448 -2.4773 -2.4773 -0.8731 -0.8731 0.3321 0.3321 6.4869 6.4869 6.9542 6.9542 7.7239 7.7239 8.3608 8.3608 8.5295 8.5295 9.4420 9.4420 10.0881 10.0881 10.1941 10.1941 10.6695 10.6695 11.1529 11.1529 11.4550 11.4550 13.1947 13.1947 13.7249 13.7249 14.0032 14.0032 14.0760 14.0760 k = 0.0000 0.1364-0.0000 ( 3951 PWs) bands (ev): -49.9910 -49.9910 -49.9906 -49.9906 -24.2963 -24.2963 -24.2908 -24.2908 -16.5979 -16.5979 -16.5668 -16.5668 -16.5559 -16.5559 -16.5450 -16.5450 -2.4515 -2.4515 -0.8618 -0.8618 0.3606 0.3606 6.4228 6.4228 6.9770 6.9770 7.5635 7.5635 8.3609 8.3609 8.5426 8.5426 9.3276 9.3276 10.0330 10.0330 10.2186 10.2186 10.7462 10.7462 11.1988 11.1988 11.4508 11.4508 13.2552 13.2552 13.7331 13.7331 13.9747 13.9747 14.1386 14.1386 k = 0.0000 0.1477-0.0000 ( 3955 PWs) bands (ev): -49.9909 -49.9909 -49.9905 -49.9905 -24.2968 -24.2968 -24.2914 -24.2914 -16.5991 -16.5991 -16.5697 -16.5697 -16.5571 -16.5571 -16.5452 -16.5452 -2.4237 -2.4237 -0.8500 -0.8500 0.3917 0.3917 6.3563 6.3563 7.0011 7.0011 7.4002 7.4002 8.3608 8.3608 8.5586 8.5586 9.2118 9.2118 9.9758 9.9758 10.2458 10.2458 10.8234 10.8234 11.2433 11.2433 11.4464 11.4464 13.3118 13.3118 13.7270 13.7270 13.9518 13.9518 14.2143 14.2143 k = 0.0000 0.1591-0.0000 ( 3951 PWs) bands (ev): -49.9908 -49.9908 -49.9904 -49.9904 -24.2973 -24.2973 -24.2920 -24.2920 -16.6005 -16.6005 -16.5728 -16.5728 -16.5581 -16.5581 -16.5451 -16.5451 -2.3939 -2.3939 -0.8378 -0.8378 0.4253 0.4253 6.2879 6.2879 7.0263 7.0263 7.2352 7.2352 8.3602 8.3602 8.5773 8.5773 9.0953 9.0953 9.9169 9.9169 10.2755 10.2755 10.9001 10.9001 11.2861 11.2861 11.4422 11.4422 13.3635 13.3635 13.7140 13.7140 13.9345 13.9345 14.2936 14.2936 k = 0.0000 0.1705-0.0000 ( 3955 PWs) bands (ev): -49.9907 -49.9907 -49.9903 -49.9903 -24.2978 -24.2978 -24.2927 -24.2927 -16.6022 -16.6022 -16.5763 -16.5763 -16.5589 -16.5589 -16.5451 -16.5451 -2.3622 -2.3622 -0.8254 -0.8254 0.4614 0.4614 6.2179 6.2179 7.0512 7.0512 7.0706 7.0706 8.3590 8.3590 8.5982 8.5982 8.9791 8.9791 9.8566 9.8566 10.3079 10.3079 10.9751 10.9751 11.3268 11.3268 11.4395 11.4395 13.4080 13.4080 13.7020 13.7020 13.9218 13.9218 14.3691 14.3691 k = 0.0000 0.1818-0.0000 ( 3949 PWs) bands (ev): -49.9905 -49.9905 -49.9902 -49.9902 -24.2983 -24.2983 -24.2932 -24.2932 -16.6041 -16.6041 -16.5798 -16.5798 -16.5595 -16.5595 -16.5449 -16.5449 -2.3286 -2.3286 -0.8130 -0.8130 0.5000 0.5000 6.1467 6.1467 6.9036 6.9036 7.0792 7.0792 8.3573 8.3573 8.6202 8.6202 8.8647 8.8647 9.7954 9.7954 10.3430 10.3430 11.0461 11.0461 11.3649 11.3649 11.4401 11.4401 13.4415 13.4415 13.6990 13.6990 13.9121 13.9121 14.4350 14.4350 k = 0.0000 0.1932-0.0000 ( 3947 PWs) bands (ev): -49.9904 -49.9904 -49.9901 -49.9901 -24.2988 -24.2988 -24.2939 -24.2939 -16.6063 -16.6063 -16.5836 -16.5836 -16.5600 -16.5600 -16.5447 -16.5447 -2.2933 -2.2933 -0.8006 -0.8006 0.5412 0.5412 6.0742 6.0742 6.7393 6.7393 7.1055 7.1055 8.3550 8.3550 8.6389 8.6389 8.7571 8.7571 9.7336 9.7336 10.3807 10.3807 11.1092 11.1092 11.3999 11.3999 11.4474 11.4474 13.4605 13.4605 13.7111 13.7111 13.9042 13.9042 14.4872 14.4872 k = 0.0000 0.2045-0.0000 ( 3939 PWs) bands (ev): -49.9903 -49.9903 -49.9900 -49.9900 -24.2994 -24.2994 -24.2946 -24.2946 -16.6087 -16.6087 -16.5875 -16.5875 -16.5602 -16.5602 -16.5444 -16.5444 -2.2563 -2.2563 -0.7884 -0.7884 0.5850 0.5850 6.0001 6.0001 6.5772 6.5772 7.1311 7.1311 8.3523 8.3523 8.6106 8.6106 8.7009 8.7009 9.6714 9.6714 10.4212 10.4212 11.1587 11.1587 11.4312 11.4312 11.4672 11.4672 13.4664 13.4664 13.7389 13.7389 13.8973 13.8973 14.5236 14.5236 k = 0.0000 0.2159-0.0000 ( 3939 PWs) bands (ev): -49.9902 -49.9902 -49.9899 -49.9899 -24.2999 -24.2999 -24.2953 -24.2953 -16.6114 -16.6114 -16.5915 -16.5915 -16.5602 -16.5602 -16.5441 -16.5441 -2.2177 -2.2177 -0.7767 -0.7767 0.6313 0.6313 5.9237 5.9237 6.4192 6.4192 7.1550 7.1550 8.3493 8.3493 8.5145 8.5145 8.7176 8.7176 9.6092 9.6092 10.4644 10.4644 11.1892 11.1892 11.4574 11.4574 11.5054 11.5054 13.4649 13.4649 13.7771 13.7771 13.8912 13.8912 14.5448 14.5448 k = 0.0000 0.2273-0.0000 ( 3935 PWs) bands (ev): -49.9900 -49.9900 -49.9898 -49.9898 -24.3005 -24.3005 -24.2960 -24.2960 -16.6143 -16.6143 -16.5956 -16.5956 -16.5601 -16.5601 -16.5438 -16.5438 -2.1775 -2.1775 -0.7655 -0.7655 0.6802 0.6802 5.8431 5.8431 6.2678 6.2678 7.1758 7.1758 8.3460 8.3460 8.4136 8.4136 8.7455 8.7455 9.5471 9.5471 10.5104 10.5104 11.2003 11.2003 11.4780 11.4780 11.5621 11.5621 13.4620 13.4620 13.8179 13.8179 13.8874 13.8874 14.5535 14.5535 k = 0.0000 0.2386-0.0000 ( 3919 PWs) bands (ev): -49.9899 -49.9899 -49.9896 -49.9896 -24.3010 -24.3010 -24.2966 -24.2966 -16.6173 -16.6173 -16.5997 -16.5997 -16.5598 -16.5598 -16.5434 -16.5434 -2.1358 -2.1358 -0.7551 -0.7551 0.7317 0.7317 5.7551 5.7551 6.1269 6.1269 7.1918 7.1918 8.3179 8.3179 8.3431 8.3431 8.7761 8.7761 9.4855 9.4855 10.5592 10.5592 11.1966 11.1966 11.4930 11.4930 11.6321 11.6321 13.4617 13.4617 13.8450 13.8450 13.8976 13.8976 14.5543 14.5543 k = 0.0000 0.2500-0.0000 ( 3929 PWs) bands (ev): -49.9898 -49.9898 -49.9895 -49.9895 -24.3016 -24.3016 -24.2974 -24.2974 -16.6205 -16.6205 -16.6040 -16.6040 -16.5594 -16.5594 -16.5432 -16.5432 -2.0928 -2.0928 -0.7456 -0.7456 0.7858 0.7858 5.6552 5.6552 6.0017 6.0017 7.2006 7.2006 8.2319 8.2319 8.3395 8.3395 8.8079 8.8079 9.4245 9.4245 10.6108 10.6108 11.1830 11.1830 11.5018 11.5018 11.7106 11.7106 13.4661 13.4661 13.8442 13.8442 13.9325 13.9325 14.5523 14.5523 k = 0.0000 0.2614-0.0000 ( 3923 PWs) bands (ev): -49.9897 -49.9897 -49.9894 -49.9894 -24.3021 -24.3021 -24.2982 -24.2982 -16.6237 -16.6237 -16.6082 -16.6082 -16.5588 -16.5588 -16.5429 -16.5429 -2.0486 -2.0486 -0.7372 -0.7372 0.8425 0.8425 5.5400 5.5400 5.8960 5.8960 7.1994 7.1994 8.1582 8.1582 8.3363 8.3363 8.8402 8.8402 9.3644 9.3644 10.6650 10.6650 11.1627 11.1627 11.5044 11.5044 11.7943 11.7943 13.4760 13.4760 13.8317 13.8317 13.9728 13.9728 14.5526 14.5526 k = 0.0000 0.2727-0.0000 ( 3923 PWs) bands (ev): -49.9895 -49.9895 -49.9893 -49.9893 -24.3027 -24.3027 -24.2989 -24.2989 -16.6270 -16.6270 -16.6125 -16.6125 -16.5582 -16.5582 -16.5425 -16.5425 -2.0031 -2.0031 -0.7301 -0.7301 0.9018 0.9018 5.4102 5.4102 5.8097 5.8097 7.1854 7.1854 8.1003 8.1003 8.3333 8.3333 8.8725 8.8725 9.3052 9.3052 10.7221 10.7221 11.1377 11.1377 11.5007 11.5007 11.8813 11.8813 13.4916 13.4916 13.8139 13.8139 14.0096 14.0096 14.5597 14.5597 k = 0.0000 0.2841-0.0000 ( 3927 PWs) bands (ev): -49.9894 -49.9894 -49.9891 -49.9891 -24.3033 -24.3033 -24.2997 -24.2997 -16.6303 -16.6303 -16.6167 -16.6167 -16.5576 -16.5576 -16.5422 -16.5422 -1.9566 -1.9566 -0.7244 -0.7244 0.9638 0.9638 5.2702 5.2702 5.7390 5.7390 7.1563 7.1563 8.0603 8.0603 8.3306 8.3306 8.9045 8.9045 9.2472 9.2472 10.7817 10.7817 11.1093 11.1093 11.4910 11.4910 11.9705 11.9705 13.5121 13.5121 13.7919 13.7919 14.0400 14.0400 14.5770 14.5770 k = 0.0000 0.2955-0.0000 ( 3923 PWs) bands (ev): -49.9893 -49.9893 -49.9890 -49.9890 -24.3039 -24.3039 -24.3004 -24.3004 -16.6336 -16.6336 -16.6208 -16.6208 -16.5569 -16.5569 -16.5419 -16.5419 -1.9091 -1.9091 -0.7204 -0.7204 1.0284 1.0284 5.1241 5.1241 5.6801 5.6801 7.1117 7.1117 8.0392 8.0392 8.3284 8.3284 8.9357 8.9357 9.1904 9.1904 10.8440 10.8440 11.0784 11.0784 11.4755 11.4755 12.0612 12.0612 13.5358 13.5358 13.7665 13.7665 14.0634 14.0634 14.6064 14.6064 k = 0.0000 0.3068-0.0000 ( 3913 PWs) bands (ev): -49.9891 -49.9891 -49.9889 -49.9889 -24.3044 -24.3044 -24.3010 -24.3010 -16.6368 -16.6368 -16.6248 -16.6248 -16.5560 -16.5560 -16.5416 -16.5416 -1.8608 -1.8608 -0.7182 -0.7182 1.0957 1.0957 4.9751 4.9751 5.6303 5.6303 7.0530 7.0530 8.0355 8.0355 8.3267 8.3267 8.9657 8.9657 9.1351 9.1351 10.9087 10.9087 11.0457 11.0457 11.4550 11.4550 12.1529 12.1529 13.5591 13.5591 13.7398 13.7398 14.0805 14.0805 14.6477 14.6477 k = 0.0000 0.3182-0.0000 ( 3907 PWs) bands (ev): -49.9890 -49.9890 -49.9888 -49.9888 -24.3049 -24.3049 -24.3017 -24.3017 -16.6400 -16.6400 -16.6287 -16.6287 -16.5552 -16.5552 -16.5414 -16.5414 -1.8118 -1.8118 -0.7180 -0.7180 1.1657 1.1657 4.8251 4.8251 5.5880 5.5880 6.9827 6.9827 8.0468 8.0468 8.3256 8.3256 8.9939 8.9939 9.0812 9.0812 10.9755 10.9755 11.0122 11.0122 11.4302 11.4302 12.2451 12.2451 13.5739 13.5739 13.7187 13.7187 14.0933 14.0933 14.6997 14.6997 k = 0.0000 0.3295-0.0000 ( 3903 PWs) bands (ev): -49.9889 -49.9889 -49.9887 -49.9887 -24.3053 -24.3053 -24.3024 -24.3024 -16.6430 -16.6430 -16.6326 -16.6326 -16.5543 -16.5543 -16.5411 -16.5411 -1.7622 -1.7622 -0.7199 -0.7199 1.2384 1.2384 4.6752 4.6752 5.5524 5.5524 6.9041 6.9041 8.0701 8.0701 8.3253 8.3253 9.0197 9.0197 9.0292 9.0292 10.9771 10.9771 11.0454 11.0454 11.4019 11.4019 12.3376 12.3376 13.5663 13.5663 13.7154 13.7154 14.1040 14.1040 14.7605 14.7605 k = 0.0000 0.3409-0.0000 ( 3895 PWs) bands (ev): -49.9888 -49.9888 -49.9886 -49.9886 -24.3058 -24.3058 -24.3030 -24.3030 -16.6460 -16.6460 -16.6362 -16.6362 -16.5534 -16.5534 -16.5409 -16.5409 -1.7121 -1.7121 -0.7240 -0.7240 1.3138 1.3138 4.5262 4.5262 5.5232 5.5232 6.8198 6.8198 8.1026 8.1026 8.3258 8.3258 8.9784 8.9784 9.0433 9.0433 10.9434 10.9434 11.1157 11.1157 11.3715 11.3715 12.4299 12.4299 13.5324 13.5324 13.7325 13.7325 14.1146 14.1146 14.8282 14.8282 k = 0.0000 0.3523-0.0000 ( 3905 PWs) bands (ev): -49.9887 -49.9887 -49.9885 -49.9885 -24.3063 -24.3063 -24.3037 -24.3037 -16.6489 -16.6489 -16.6399 -16.6399 -16.5525 -16.5525 -16.5408 -16.5408 -1.6617 -1.6617 -0.7305 -0.7305 1.3919 1.3919 4.3784 4.3784 5.5000 5.5000 6.7321 6.7321 8.1422 8.1422 8.3273 8.3273 8.9296 8.9296 9.0632 9.0632 10.9106 10.9106 11.1846 11.1846 11.3424 11.3424 12.5217 12.5217 13.4817 13.4817 13.7590 13.7590 14.1265 14.1265 14.9013 14.9013 k = 0.0000 0.3636-0.0000 ( 3901 PWs) bands (ev): -49.9886 -49.9886 -49.9884 -49.9884 -24.3067 -24.3067 -24.3043 -24.3043 -16.6515 -16.6515 -16.6433 -16.6433 -16.5516 -16.5516 -16.5407 -16.5407 -1.6111 -1.6111 -0.7395 -0.7395 1.4728 1.4728 4.2324 4.2324 5.4829 5.4829 6.6428 6.6428 8.1873 8.1873 8.3298 8.3298 8.8826 8.8826 9.0792 9.0792 10.8797 10.8797 11.2362 11.2362 11.3308 11.3308 12.6126 12.6126 13.4212 13.4212 13.7871 13.7871 14.1408 14.1408 14.9783 14.9783 k = 0.0000 0.3750-0.0000 ( 3911 PWs) bands (ev): -49.9885 -49.9885 -49.9883 -49.9883 -24.3072 -24.3072 -24.3049 -24.3049 -16.6541 -16.6541 -16.6465 -16.6465 -16.5508 -16.5508 -16.5407 -16.5407 -1.5605 -1.5605 -0.7510 -0.7510 1.5564 1.5564 4.0882 4.0882 5.4717 5.4717 6.5532 6.5532 8.2364 8.2364 8.3335 8.3335 8.8375 8.8375 9.0907 9.0907 10.8513 10.8513 11.2324 11.2324 11.3756 11.3756 12.7019 12.7019 13.3540 13.3540 13.8124 13.8124 14.1584 14.1584 15.0579 15.0579 k = 0.0000 0.3864-0.0000 ( 3907 PWs) bands (ev): -49.9884 -49.9884 -49.9882 -49.9882 -24.3075 -24.3075 -24.3055 -24.3055 -16.6564 -16.6564 -16.6495 -16.6495 -16.5499 -16.5499 -16.5406 -16.5406 -1.5100 -1.5100 -0.7651 -0.7651 1.6428 1.6428 3.9461 3.9461 5.4664 5.4664 6.4643 6.4643 8.2886 8.2886 8.3384 8.3384 8.7944 8.7944 9.0972 9.0972 10.8263 10.8263 11.2005 11.2005 11.4495 11.4495 12.7888 12.7888 13.2823 13.2823 13.8325 13.8325 14.1801 14.1801 15.1385 15.1385 k = 0.0000 0.3977-0.0000 ( 3901 PWs) bands (ev): -49.9883 -49.9883 -49.9882 -49.9882 -24.3078 -24.3078 -24.3059 -24.3059 -16.6585 -16.6585 -16.6523 -16.6523 -16.5491 -16.5491 -16.5405 -16.5405 -1.4598 -1.4598 -0.7819 -0.7819 1.7319 1.7319 3.8062 3.8062 5.4670 5.4670 6.3767 6.3767 8.3429 8.3429 8.3450 8.3450 8.7532 8.7532 9.0983 9.0983 10.8053 10.8053 11.1628 11.1628 11.5307 11.5307 12.8709 12.8709 13.2090 13.2090 13.8452 13.8452 14.2068 14.2068 15.2157 15.2157 k = 0.0000 0.4091-0.0000 ( 3905 PWs) bands (ev): -49.9882 -49.9882 -49.9881 -49.9881 -24.3081 -24.3081 -24.3064 -24.3064 -16.6604 -16.6604 -16.6549 -16.6549 -16.5482 -16.5482 -16.5407 -16.5407 -1.4100 -1.4100 -0.8013 -0.8013 1.8239 1.8239 3.6686 3.6686 5.4735 5.4735 6.2912 6.2912 8.3522 8.3522 8.3996 8.3996 8.7139 8.7139 9.0934 9.0934 10.7889 10.7889 11.1236 11.1236 11.6155 11.6155 12.9401 12.9401 13.1429 13.1429 13.8493 13.8493 14.2390 14.2390 15.2634 15.2634 k = 0.0000 0.4205-0.0000 ( 3907 PWs) bands (ev): -49.9881 -49.9881 -49.9880 -49.9880 -24.3083 -24.3083 -24.3069 -24.3069 -16.6621 -16.6621 -16.6573 -16.6573 -16.5474 -16.5474 -16.5408 -16.5408 -1.3607 -1.3607 -0.8233 -0.8233 1.9186 1.9186 3.5335 3.5335 5.4858 5.4858 6.2083 6.2083 8.3614 8.3614 8.4570 8.4570 8.6767 8.6767 9.0825 9.0825 10.7776 10.7776 11.0840 11.0840 11.7027 11.7027 12.9591 12.9591 13.1215 13.1215 13.8441 13.8441 14.2773 14.2773 15.2262 15.2262 k = 0.0000 0.4318-0.0000 ( 3907 PWs) bands (ev): -49.9881 -49.9881 -49.9880 -49.9880 -24.3085 -24.3085 -24.3073 -24.3073 -16.6635 -16.6635 -16.6594 -16.6594 -16.5467 -16.5467 -16.5409 -16.5409 -1.3123 -1.3123 -0.8479 -0.8479 2.0160 2.0160 3.4008 3.4008 5.5040 5.5040 6.1284 6.1284 8.3720 8.3720 8.5150 8.5150 8.6415 8.6415 9.0653 9.0653 10.7716 10.7716 11.0448 11.0448 11.7918 11.7918 12.9034 12.9034 13.1697 13.1697 13.8294 13.8294 14.3216 14.3216 15.1560 15.1560 k = 0.0000 0.4432-0.0000 ( 3907 PWs) bands (ev): -49.9880 -49.9880 -49.9880 -49.9880 -24.3086 -24.3086 -24.3077 -24.3077 -16.6646 -16.6646 -16.6612 -16.6612 -16.5459 -16.5459 -16.5412 -16.5412 -1.2647 -1.2647 -0.8752 -0.8752 2.1163 2.1163 3.2706 3.2706 5.5279 5.5279 6.0518 6.0518 8.3843 8.3843 8.5727 8.5727 8.6087 8.6087 9.0421 9.0421 10.7712 10.7712 11.0065 11.0065 11.8827 11.8827 12.8215 12.8215 13.2393 13.2393 13.8056 13.8056 14.3717 14.3717 15.0796 15.0796 k = 0.0000 0.4545-0.0000 ( 3915 PWs) bands (ev): -49.9880 -49.9880 -49.9879 -49.9879 -24.3089 -24.3089 -24.3080 -24.3080 -16.6655 -16.6655 -16.6628 -16.6628 -16.5453 -16.5453 -16.5414 -16.5414 -1.2182 -1.2182 -0.9049 -0.9049 2.2194 2.2194 3.1430 3.1430 5.5574 5.5574 5.9788 5.9788 8.3983 8.3983 8.5767 8.5767 8.6313 8.6313 9.0130 9.0130 10.7761 10.7761 10.9695 10.9695 11.9751 11.9751 12.7321 12.7321 13.3118 13.3118 13.7736 13.7736 14.4272 14.4272 15.0013 15.0013 k = 0.0000 0.4659-0.0000 ( 3911 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3083 -24.3083 -16.6661 -16.6661 -16.6641 -16.6641 -16.5447 -16.5447 -16.5418 -16.5418 -1.1730 -1.1730 -0.9370 -0.9370 2.3252 2.3252 3.0181 3.0181 5.5924 5.5924 5.9099 5.9099 8.4141 8.4141 8.5477 8.5477 8.6879 8.6879 8.9785 8.9785 10.7862 10.7862 10.9344 10.9344 12.0686 12.0686 12.6394 12.6394 13.3831 13.3831 13.7340 13.7340 14.4877 14.4877 14.9228 14.9228 k = 0.0000 0.4773-0.0000 ( 3909 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3085 -24.3085 -16.6665 -16.6665 -16.6651 -16.6651 -16.5441 -16.5441 -16.5421 -16.5421 -1.1292 -1.1292 -0.9713 -0.9713 2.4338 2.4338 2.8958 2.8958 5.6328 5.6328 5.8451 5.8451 8.4316 8.4316 8.5206 8.5206 8.7433 8.7433 8.9390 8.9390 10.8011 10.8011 10.9015 10.9015 12.1632 12.1632 12.5450 12.5450 13.4519 13.4519 13.6879 13.6879 14.5526 14.5526 14.8448 14.8448 k = 0.0000 0.4886-0.0000 ( 3926 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3088 -24.3088 -16.6666 -16.6666 -16.6660 -16.6660 -16.5435 -16.5435 -16.5426 -16.5426 -1.0870 -1.0870 -1.0079 -1.0079 2.5452 2.5452 2.7762 2.7762 5.6785 5.6785 5.7848 5.7848 8.4510 8.4510 8.4955 8.4955 8.7966 8.7966 8.8951 8.8951 10.8206 10.8206 10.8713 10.8713 12.2584 12.2584 12.4497 12.4497 13.5173 13.5173 13.6359 13.6359 14.6214 14.6214 14.7681 14.7681 k = 0.0000 0.5000-0.0000 ( 3932 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0465 -1.0465 -1.0465 -1.0465 2.6593 2.6593 2.6593 2.6593 5.7292 5.7292 5.7292 5.7292 8.4723 8.4723 8.4723 8.4723 8.8475 8.8475 8.8475 8.8475 10.8442 10.8442 10.8442 10.8442 12.3540 12.3540 12.3540 12.3540 13.5788 13.5788 13.5788 13.5788 14.6935 14.6935 14.6935 14.6935 k = 0.0000 0.5000-0.0000 ( 3932 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0465 -1.0465 -1.0465 -1.0465 2.6593 2.6593 2.6593 2.6593 5.7292 5.7292 5.7292 5.7292 8.4723 8.4723 8.4723 8.4723 8.8475 8.8475 8.8475 8.8475 10.8442 10.8442 10.8442 10.8442 12.3540 12.3540 12.3540 12.3540 13.5788 13.5788 13.5788 13.5788 14.6935 14.6935 14.6935 14.6935 k = 0.0114 0.5000-0.0000 ( 3932 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3090 -24.3090 -24.3090 -24.3090 -16.6665 -16.6665 -16.6665 -16.6665 -16.5432 -16.5432 -16.5431 -16.5431 -1.0465 -1.0465 -1.0463 -1.0463 2.6595 2.6595 2.6619 2.6619 5.7277 5.7277 5.7324 5.7324 8.4701 8.4701 8.4715 8.4715 8.8466 8.8466 8.8480 8.8480 10.8423 10.8423 10.8452 10.8452 12.3183 12.3183 12.3476 12.3476 13.5788 13.5788 13.6137 13.6137 14.6816 14.6816 14.7054 14.7054 k = 0.0227 0.5000-0.0000 ( 3928 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3090 -24.3090 -24.3090 -24.3090 -16.6665 -16.6665 -16.6664 -16.6664 -16.5435 -16.5435 -16.5434 -16.5434 -1.0462 -1.0462 -1.0458 -1.0458 2.6624 2.6624 2.6673 2.6673 5.7279 5.7279 5.7372 5.7372 8.4650 8.4650 8.4679 8.4679 8.8455 8.8455 8.8482 8.8482 10.8398 10.8398 10.8456 10.8456 12.2463 12.2463 12.2998 12.2998 13.6128 13.6128 13.6772 13.6772 14.6702 14.6702 14.7173 14.7173 k = 0.0341 0.5000-0.0000 ( 3922 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3091 -24.3091 -24.3090 -24.3090 -16.6664 -16.6664 -16.6663 -16.6663 -16.5441 -16.5441 -16.5439 -16.5439 -1.0456 -1.0456 -1.0451 -1.0451 2.6681 2.6681 2.6755 2.6755 5.7298 5.7298 5.7437 5.7437 8.4572 8.4572 8.4615 8.4615 8.8439 8.8439 8.8480 8.8480 10.8363 10.8363 10.8453 10.8453 12.1467 12.1467 12.2177 12.2177 13.6739 13.6739 13.7605 13.7605 14.6594 14.6594 14.7291 14.7291 k = 0.0455 0.5000-0.0000 ( 3938 PWs) bands (ev): -49.9878 -49.9878 -49.9878 -49.9878 -24.3093 -24.3093 -24.3093 -24.3093 -16.6663 -16.6663 -16.6663 -16.6663 -16.5450 -16.5450 -16.5447 -16.5447 -1.0448 -1.0448 -1.0441 -1.0441 2.6766 2.6766 2.6864 2.6864 5.7334 5.7334 5.7518 5.7518 8.4468 8.4468 8.4525 8.4525 8.8419 8.8419 8.8475 8.8475 10.8320 10.8320 10.8443 10.8443 12.0272 12.0272 12.1102 12.1102 13.7533 13.7533 13.8552 13.8552 14.6496 14.6496 14.7410 14.7410 k = 0.0568 0.5000-0.0000 ( 3934 PWs) bands (ev): -49.9878 -49.9878 -49.9878 -49.9878 -24.3095 -24.3095 -24.3094 -24.3094 -16.6662 -16.6662 -16.6662 -16.6662 -16.5459 -16.5459 -16.5456 -16.5456 -1.0438 -1.0438 -1.0429 -1.0429 2.6878 2.6878 2.7001 2.7001 5.7385 5.7385 5.7615 5.7615 8.4340 8.4340 8.4411 8.4411 8.8393 8.8393 8.8465 8.8465 10.8265 10.8265 10.8424 10.8424 11.8939 11.8939 11.9849 11.9849 13.8428 13.8428 13.9546 13.9546 14.6416 14.6416 14.7534 14.7534 k = 0.0682 0.5000-0.0000 ( 3930 PWs) bands (ev): -49.9877 -49.9877 -49.9877 -49.9877 -24.3097 -24.3097 -24.3096 -24.3096 -16.6661 -16.6661 -16.6660 -16.6660 -16.5471 -16.5471 -16.5467 -16.5467 -1.0425 -1.0425 -1.0415 -1.0415 2.7019 2.7019 2.7165 2.7165 5.7452 5.7452 5.7727 5.7727 8.4191 8.4191 8.4276 8.4276 8.8360 8.8360 8.8449 8.8449 10.8197 10.8197 10.8396 10.8396 11.7507 11.7507 11.8476 11.8476 13.9365 13.9365 14.0536 14.0536 14.6363 14.6363 14.7672 14.7672 k = 0.0795 0.5000-0.0000 ( 3930 PWs) bands (ev): -49.9877 -49.9877 -49.9877 -49.9877 -24.3100 -24.3100 -24.3099 -24.3099 -16.6659 -16.6659 -16.6659 -16.6659 -16.5485 -16.5485 -16.5480 -16.5480 -1.0410 -1.0410 -1.0398 -1.0398 2.7186 2.7186 2.7357 2.7357 5.7534 5.7534 5.7852 5.7852 8.4023 8.4023 8.4123 8.4123 8.8319 8.8319 8.8427 8.8427 10.8112 10.8112 10.8358 10.8358 11.6006 11.6006 11.7024 11.7024 14.0293 14.0293 14.1476 14.1476 14.6351 14.6351 14.7841 14.7841 k = 0.0909 0.5000-0.0000 ( 3926 PWs) bands (ev): -49.9876 -49.9876 -49.9876 -49.9876 -24.3103 -24.3103 -24.3101 -24.3101 -16.6658 -16.6658 -16.6657 -16.6657 -16.5500 -16.5500 -16.5494 -16.5494 -1.0393 -1.0393 -1.0379 -1.0379 2.7381 2.7381 2.7575 2.7575 5.7629 5.7629 5.7990 5.7990 8.3841 8.3841 8.3954 8.3954 8.8270 8.8270 8.8398 8.8398 10.8004 10.8004 10.8307 10.8307 11.4458 11.4458 11.5523 11.5523 14.1168 14.1168 14.2323 14.2323 14.6403 14.6403 14.8065 14.8065 k = 0.1023 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9876 -49.9876 -49.9876 -49.9876 -24.3105 -24.3105 -24.3104 -24.3104 -16.6656 -16.6656 -16.6655 -16.6655 -16.5516 -16.5516 -16.5510 -16.5510 -1.0373 -1.0373 -1.0358 -1.0358 2.7604 2.7604 2.7820 2.7820 5.7737 5.7737 5.8139 5.8139 8.3646 8.3646 8.3774 8.3774 8.8212 8.8212 8.8362 8.8362 10.7863 10.7863 10.8237 10.8237 11.2882 11.2882 11.4004 11.4004 14.1944 14.1944 14.3036 14.3036 14.6552 14.6552 14.8374 14.8374 k = 0.1136 0.5000-0.0000 ( 3912 PWs) bands (ev): -49.9875 -49.9875 -49.9875 -49.9875 -24.3109 -24.3109 -24.3107 -24.3107 -16.6655 -16.6655 -16.6654 -16.6654 -16.5534 -16.5534 -16.5527 -16.5527 -1.0352 -1.0352 -1.0336 -1.0336 2.7854 2.7854 2.8092 2.8092 5.7856 5.7856 5.8299 5.8299 8.3442 8.3442 8.3584 8.3584 8.8145 8.8145 8.8318 8.8318 10.7666 10.7666 10.8130 10.8130 11.1306 11.1306 11.2500 11.2500 14.2577 14.2577 14.3585 14.3585 14.6834 14.6834 14.8793 14.8793 k = 0.1250 0.5000-0.0000 ( 3908 PWs) bands (ev): -49.9874 -49.9874 -49.9874 -49.9874 -24.3113 -24.3113 -24.3111 -24.3111 -16.6653 -16.6653 -16.6653 -16.6653 -16.5553 -16.5553 -16.5546 -16.5546 -1.0329 -1.0329 -1.0311 -1.0311 2.8130 2.8130 2.8391 2.8391 5.7985 5.7985 5.8468 5.8468 8.3232 8.3232 8.3388 8.3388 8.8067 8.8067 8.8266 8.8266 10.7361 10.7361 10.7920 10.7920 10.9804 10.9804 11.1074 11.1074 14.3038 14.3038 14.3963 14.3963 14.7271 14.7271 14.9327 14.9327 k = 0.1364 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9873 -49.9873 -49.9873 -49.9873 -24.3117 -24.3117 -24.3115 -24.3115 -16.6652 -16.6652 -16.6652 -16.6652 -16.5573 -16.5573 -16.5566 -16.5566 -1.0304 -1.0304 -1.0285 -1.0285 2.8433 2.8433 2.8715 2.8715 5.8124 5.8124 5.8643 5.8643 8.3019 8.3019 8.3189 8.3189 8.7979 8.7979 8.8205 8.8205 10.6836 10.6836 10.7273 10.7273 10.8718 10.8718 10.9846 10.9846 14.3340 14.3340 14.4192 14.4192 14.7851 14.7851 14.9955 14.9955 k = 0.1477 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9872 -49.9872 -49.9872 -49.9872 -24.3121 -24.3121 -24.3119 -24.3119 -16.6652 -16.6652 -16.6651 -16.6651 -16.5595 -16.5595 -16.5587 -16.5587 -1.0277 -1.0277 -1.0257 -1.0257 2.8763 2.8763 2.9065 2.9065 5.8270 5.8270 5.8824 5.8824 8.2805 8.2805 8.2989 8.2989 8.7880 8.7880 8.8137 8.8137 10.5926 10.5926 10.5937 10.5937 10.8316 10.8316 10.8977 10.8977 14.3524 14.3524 14.4310 14.4310 14.8532 14.8532 15.0645 15.0645 k = 0.1591 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9871 -49.9871 -49.9871 -49.9871 -24.3126 -24.3126 -24.3124 -24.3124 -16.6652 -16.6652 -16.6651 -16.6651 -16.5617 -16.5617 -16.5609 -16.5609 -1.0249 -1.0249 -1.0228 -1.0228 2.9119 2.9119 2.9441 2.9441 5.8421 5.8421 5.9009 5.9009 8.2592 8.2592 8.2791 8.2791 8.7771 8.7771 8.8060 8.8060 10.4345 10.4345 10.4679 10.4679 10.8137 10.8137 10.8456 10.8456 14.3634 14.3634 14.4354 14.4354 14.9270 14.9270 15.1363 15.1363 k = 0.1705 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9870 -49.9870 -49.9870 -49.9870 -24.3131 -24.3131 -24.3129 -24.3129 -16.6652 -16.6652 -16.6651 -16.6651 -16.5639 -16.5639 -16.5631 -16.5631 -1.0219 -1.0219 -1.0198 -1.0198 2.9501 2.9501 2.9842 2.9842 5.8578 5.8578 5.9196 5.9196 8.2384 8.2384 8.2596 8.2596 8.7652 8.7652 8.7975 8.7975 10.2713 10.2713 10.3227 10.3227 10.8003 10.8003 10.8128 10.8128 14.3706 14.3706 14.4355 14.4355 15.0030 15.0030 15.2083 15.2083 k = 0.1818 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9869 -49.9869 -49.9869 -49.9869 -24.3136 -24.3136 -24.3134 -24.3134 -16.6653 -16.6653 -16.6652 -16.6652 -16.5662 -16.5662 -16.5653 -16.5653 -1.0188 -1.0188 -1.0167 -1.0167 2.9908 2.9908 3.0267 3.0267 5.8737 5.8737 5.9382 5.9382 8.2181 8.2181 8.2408 8.2408 8.7520 8.7520 8.7882 8.7882 10.1071 10.1071 10.1692 10.1692 10.7880 10.7880 10.7883 10.7883 14.3765 14.3765 14.4337 14.4337 15.0792 15.0792 15.2790 15.2790 k = 0.1932 0.5000-0.0000 ( 3898 PWs) bands (ev): -49.9868 -49.9868 -49.9868 -49.9868 -24.3142 -24.3142 -24.3139 -24.3139 -16.6654 -16.6654 -16.6654 -16.6654 -16.5685 -16.5685 -16.5676 -16.5676 -1.0157 -1.0157 -1.0135 -1.0135 3.0340 3.0340 3.0717 3.0717 5.8897 5.8897 5.9568 5.9568 8.1985 8.1985 8.2227 8.2227 8.7377 8.7377 8.7779 8.7779 9.9433 9.9433 10.0128 10.0128 10.7676 10.7676 10.7757 10.7757 14.3826 14.3826 14.4315 14.4315 15.1540 15.1540 15.3472 15.3472 k = 0.2045 0.5000-0.0000 ( 3922 PWs) bands (ev): -49.9867 -49.9867 -49.9867 -49.9867 -24.3149 -24.3149 -24.3147 -24.3147 -16.6657 -16.6657 -16.6657 -16.6657 -16.5709 -16.5709 -16.5699 -16.5699 -1.0124 -1.0124 -1.0102 -1.0102 3.0797 3.0797 3.1190 3.1190 5.9057 5.9057 5.9749 5.9749 8.1797 8.1797 8.2054 8.2054 8.7218 8.7218 8.7666 8.7666 9.7808 9.7808 9.8563 9.8563 10.7487 10.7487 10.7631 10.7631 14.3902 14.3902 14.4304 14.4304 15.2265 15.2265 15.4123 15.4123 k = 0.2159 0.5000-0.0000 ( 3924 PWs) bands (ev): -49.9866 -49.9866 -49.9866 -49.9866 -24.3155 -24.3155 -24.3152 -24.3152 -16.6661 -16.6661 -16.6660 -16.6660 -16.5731 -16.5731 -16.5721 -16.5721 -1.0091 -1.0091 -1.0069 -1.0069 3.1278 3.1278 3.1687 3.1687 5.9215 5.9215 5.9926 5.9926 8.1620 8.1620 8.1891 8.1891 8.7041 8.7041 8.7538 8.7538 9.6206 9.6206 9.7014 9.7014 10.7306 10.7306 10.7503 10.7503 14.4000 14.4000 14.4311 14.4311 15.2964 15.2964 15.4740 15.4740 k = 0.2273 0.5000-0.0000 ( 3924 PWs) bands (ev): -49.9864 -49.9864 -49.9864 -49.9864 -24.3160 -24.3160 -24.3158 -24.3158 -16.6665 -16.6665 -16.6665 -16.6665 -16.5752 -16.5752 -16.5743 -16.5743 -1.0058 -1.0058 -1.0036 -1.0036 3.1783 3.1783 3.2206 3.2206 5.9371 5.9371 6.0096 6.0096 8.1452 8.1452 8.1737 8.1737 8.6839 8.6839 8.7390 8.7390 9.4639 9.4639 9.5496 9.5496 10.7130 10.7130 10.7370 10.7370 14.4125 14.4125 14.4343 14.4343 15.3632 15.3632 15.5322 15.5322 k = 0.2386 0.5000-0.0000 ( 3924 PWs) bands (ev): -49.9863 -49.9863 -49.9863 -49.9863 -24.3166 -24.3166 -24.3164 -24.3164 -16.6670 -16.6670 -16.6670 -16.6670 -16.5772 -16.5772 -16.5763 -16.5763 -1.0024 -1.0024 -1.0002 -1.0002 3.2310 3.2310 3.2747 3.2747 5.9522 5.9522 6.0258 6.0258 8.1293 8.1293 8.1593 8.1593 8.6600 8.6600 8.7207 8.7207 9.3123 9.3123 9.4031 9.4031 10.6958 10.6958 10.7234 10.7234 14.4282 14.4282 14.4406 14.4406 15.4268 15.4268 15.5870 15.5870 k = 0.2500 0.5000-0.0000 ( 3924 PWs) bands (ev): -49.9862 -49.9862 -49.9862 -49.9862 -24.3172 -24.3172 -24.3170 -24.3170 -16.6677 -16.6677 -16.6677 -16.6677 -16.5792 -16.5792 -16.5783 -16.5783 -0.9990 -0.9990 -0.9968 -0.9968 3.2860 3.2860 3.3309 3.3309 5.9668 5.9668 6.0411 6.0411 8.1145 8.1145 8.1458 8.1458 8.6302 8.6302 8.6961 8.6961 9.1693 9.1693 9.2644 9.2644 10.6787 10.6787 10.7096 10.7096 14.4475 14.4475 14.4503 14.4503 15.4871 15.4871 15.6384 15.6384 k = 0.2614 0.5000-0.0000 ( 3920 PWs) bands (ev): -49.9861 -49.9861 -49.9861 -49.9861 -24.3178 -24.3178 -24.3175 -24.3175 -16.6684 -16.6684 -16.6684 -16.6684 -16.5810 -16.5810 -16.5801 -16.5801 -0.9956 -0.9956 -0.9935 -0.9935 3.3430 3.3430 3.3891 3.3891 5.9808 5.9808 6.0553 6.0553 8.1005 8.1005 8.1331 8.1331 8.5910 8.5910 8.6593 8.6593 9.0412 9.0412 9.1376 9.1376 10.6619 10.6619 10.6956 10.6956 14.4638 14.4638 14.4705 14.4705 15.5442 15.5442 15.6865 15.6865 k = 0.2727 0.5000-0.0000 ( 3920 PWs) bands (ev): -49.9860 -49.9860 -49.9860 -49.9860 -24.3184 -24.3184 -24.3181 -24.3181 -16.6693 -16.6693 -16.6692 -16.6692 -16.5826 -16.5826 -16.5818 -16.5818 -0.9923 -0.9923 -0.9902 -0.9902 3.4021 3.4021 3.4491 3.4491 5.9941 5.9941 6.0684 6.0684 8.0871 8.0871 8.1210 8.1210 8.5376 8.5376 8.6005 8.6005 8.9384 8.9384 9.0282 9.0282 10.6454 10.6454 10.6815 10.6815 14.4812 14.4812 14.4975 14.4975 15.5980 15.5980 15.7316 15.7316 k = 0.2841 0.5000-0.0000 ( 3924 PWs) bands (ev): -49.9858 -49.9858 -49.9858 -49.9858 -24.3190 -24.3190 -24.3187 -24.3187 -16.6703 -16.6703 -16.6702 -16.6702 -16.5842 -16.5842 -16.5834 -16.5834 -0.9890 -0.9890 -0.9869 -0.9869 3.4631 3.4631 3.5110 3.5110 6.0066 6.0066 6.0803 6.0803 8.0740 8.0740 8.1094 8.1094 8.4650 8.4650 8.5123 8.5123 8.8687 8.8687 8.9416 8.9416 10.6293 10.6293 10.6673 10.6673 14.5027 14.5027 14.5285 14.5285 15.6487 15.6487 15.7737 15.7737 k = 0.2955 0.5000-0.0000 ( 3920 PWs) bands (ev): -49.9857 -49.9857 -49.9857 -49.9857 -24.3195 -24.3195 -24.3193 -24.3193 -16.6714 -16.6714 -16.6713 -16.6713 -16.5856 -16.5856 -16.5849 -16.5849 -0.9857 -0.9857 -0.9837 -0.9837 3.5259 3.5259 3.5745 3.5745 6.0184 6.0184 6.0911 6.0911 8.0605 8.0605 8.0975 8.0975 8.3729 8.3729 8.4008 8.4008 8.8273 8.8273 8.8790 8.8790 10.6136 10.6136 10.6533 10.6533 14.5284 14.5284 14.5638 14.5638 15.6962 15.6962 15.8129 15.8129 k = 0.3068 0.5000-0.0000 ( 3920 PWs) bands (ev): -49.9856 -49.9856 -49.9856 -49.9856 -24.3200 -24.3200 -24.3198 -24.3198 -16.6725 -16.6725 -16.6724 -16.6724 -16.5869 -16.5869 -16.5862 -16.5862 -0.9826 -0.9826 -0.9806 -0.9806 3.5903 3.5903 3.6394 3.6394 6.0293 6.0293 6.1006 6.1006 8.0445 8.0445 8.0840 8.0840 8.2669 8.2669 8.2794 8.2794 8.8028 8.8028 8.8365 8.8365 10.5985 10.5985 10.6394 10.6394 14.5584 14.5584 14.6033 14.6033 15.7408 15.7408 15.8494 15.8494 k = 0.3182 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9855 -49.9855 -49.9855 -49.9855 -24.3206 -24.3206 -24.3203 -24.3203 -16.6738 -16.6738 -16.6736 -16.6736 -16.5880 -16.5880 -16.5873 -16.5873 -0.9795 -0.9795 -0.9776 -0.9776 3.6561 3.6561 3.7056 3.7056 6.0394 6.0394 6.1089 6.1089 8.0178 8.0178 8.0613 8.0613 8.1606 8.1606 8.1642 8.1642 8.7877 8.7877 8.8083 8.8083 10.5841 10.5841 10.6258 10.6258 14.5926 14.5926 14.6470 14.6470 15.7825 15.7825 15.8833 15.8833 k = 0.3295 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9854 -49.9854 -49.9854 -49.9854 -24.3211 -24.3211 -24.3209 -24.3209 -16.6750 -16.6750 -16.6749 -16.6749 -16.5889 -16.5889 -16.5883 -16.5883 -0.9765 -0.9765 -0.9747 -0.9747 3.7232 3.7232 3.7728 3.7728 6.0488 6.0488 6.1160 6.1160 7.9521 7.9521 7.9912 7.9912 8.0876 8.0876 8.0970 8.0970 8.7780 8.7780 8.7897 8.7897 10.5704 10.5704 10.6125 10.6125 14.6311 14.6311 14.6951 14.6951 15.8212 15.8212 15.9146 15.9146 k = 0.3409 0.5000-0.0000 ( 3912 PWs) bands (ev): -49.9853 -49.9853 -49.9853 -49.9853 -24.3215 -24.3215 -24.3213 -24.3213 -16.6764 -16.6764 -16.6762 -16.6762 -16.5898 -16.5898 -16.5892 -16.5892 -0.9736 -0.9736 -0.9720 -0.9720 3.7912 3.7912 3.8408 3.8408 6.0573 6.0573 6.1219 6.1219 7.8419 7.8419 7.8768 7.8768 8.0574 8.0574 8.0764 8.0764 8.7720 8.7720 8.7777 8.7777 10.5576 10.5576 10.5997 10.5997 14.6739 14.6739 14.7473 14.7473 15.8569 15.8569 15.9434 15.9434 k = 0.3523 0.5000-0.0000 ( 3914 PWs) bands (ev): -49.9852 -49.9852 -49.9852 -49.9852 -24.3220 -24.3220 -24.3218 -24.3218 -16.6777 -16.6777 -16.6775 -16.6775 -16.5905 -16.5905 -16.5900 -16.5900 -0.9709 -0.9709 -0.9694 -0.9694 3.8599 3.8599 3.9092 3.9092 6.0651 6.0651 6.1268 6.1268 7.7195 7.7195 7.7548 7.7548 8.0423 8.0423 8.0642 8.0642 8.7685 8.7685 8.7702 8.7702 10.5457 10.5457 10.5873 10.5873 14.7208 14.7208 14.8036 14.8036 15.8896 15.8896 15.9696 15.9696 k = 0.3636 0.5000-0.0000 ( 3910 PWs) bands (ev): -49.9851 -49.9851 -49.9851 -49.9851 -24.3225 -24.3225 -24.3223 -24.3223 -16.6790 -16.6790 -16.6788 -16.6788 -16.5911 -16.5911 -16.5906 -16.5906 -0.9683 -0.9683 -0.9669 -0.9669 3.9290 3.9290 3.9776 3.9776 6.0723 6.0723 6.1306 6.1306 7.5967 7.5967 7.6331 7.6331 8.0317 8.0317 8.0541 8.0541 8.7660 8.7660 8.7669 8.7669 10.5347 10.5347 10.5754 10.5754 14.7718 14.7718 14.8640 14.8640 15.9191 15.9191 15.9932 15.9932 k = 0.3750 0.5000-0.0000 ( 3912 PWs) bands (ev): -49.9850 -49.9850 -49.9850 -49.9850 -24.3229 -24.3229 -24.3227 -24.3227 -16.6804 -16.6804 -16.6802 -16.6802 -16.5916 -16.5916 -16.5912 -16.5912 -0.9659 -0.9659 -0.9646 -0.9646 3.9979 3.9979 4.0456 4.0456 6.0787 6.0787 6.1334 6.1334 7.4770 7.4770 7.5140 7.5140 8.0231 8.0231 8.0448 8.0448 8.7644 8.7644 8.7668 8.7668 10.5249 10.5249 10.5642 10.5642 14.8268 14.8268 14.9283 14.9283 15.9450 15.9450 16.0143 16.0143 k = 0.3864 0.5000-0.0000 ( 3904 PWs) bands (ev): -49.9849 -49.9849 -49.9849 -49.9849 -24.3232 -24.3232 -24.3231 -24.3231 -16.6816 -16.6816 -16.6814 -16.6814 -16.5920 -16.5920 -16.5916 -16.5916 -0.9637 -0.9637 -0.9624 -0.9624 4.0663 4.0663 4.1126 4.1126 6.0845 6.0845 6.1353 6.1353 7.3618 7.3618 7.3990 7.3990 8.0156 8.0156 8.0361 8.0361 8.7645 8.7645 8.7677 8.7677 10.5160 10.5160 10.5536 10.5536 14.8855 14.8855 14.9962 14.9962 15.9669 15.9669 16.0327 16.0327 k = 0.3977 0.5000-0.0000 ( 3900 PWs) bands (ev): -49.9848 -49.9848 -49.9848 -49.9848 -24.3236 -24.3236 -24.3234 -24.3234 -16.6828 -16.6828 -16.6826 -16.6826 -16.5923 -16.5923 -16.5920 -16.5920 -0.9616 -0.9616 -0.9605 -0.9605 4.1334 4.1334 4.1780 4.1780 6.0898 6.0898 6.1364 6.1364 7.2523 7.2523 7.2891 7.2891 8.0089 8.0089 8.0278 8.0278 8.7660 8.7660 8.7695 8.7695 10.5084 10.5084 10.5437 10.5437 14.9478 14.9478 15.0676 15.0676 15.9840 15.9840 16.0482 16.0482 k = 0.4091 0.5000-0.0000 ( 3904 PWs) bands (ev): -49.9847 -49.9847 -49.9847 -49.9847 -24.3239 -24.3239 -24.3238 -24.3238 -16.6840 -16.6840 -16.6838 -16.6838 -16.5926 -16.5926 -16.5923 -16.5923 -0.9597 -0.9597 -0.9587 -0.9587 4.1985 4.1985 4.2409 4.2409 6.0945 6.0945 6.1367 6.1367 7.1498 7.1498 7.1853 7.1853 8.0029 8.0029 8.0201 8.0201 8.7684 8.7684 8.7719 8.7719 10.5018 10.5018 10.5345 10.5345 15.0134 15.0134 15.1421 15.1421 15.9952 15.9952 16.0605 16.0605 k = 0.4205 0.5000-0.0000 ( 3900 PWs) bands (ev): -49.9847 -49.9847 -49.9847 -49.9847 -24.3242 -24.3242 -24.3241 -24.3241 -16.6851 -16.6851 -16.6849 -16.6849 -16.5927 -16.5927 -16.5925 -16.5925 -0.9580 -0.9580 -0.9571 -0.9571 4.2609 4.2609 4.3003 4.3003 6.0987 6.0987 6.1362 6.1362 7.0552 7.0552 7.0888 7.0888 7.9977 7.9977 8.0129 8.0129 8.7714 8.7714 8.7746 8.7746 10.4964 10.4964 10.5260 10.5260 15.0821 15.0821 15.2193 15.2193 15.9984 15.9984 16.0691 16.0691 k = 0.4318 0.5000-0.0000 ( 3902 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3245 -24.3245 -24.3244 -24.3244 -16.6860 -16.6860 -16.6859 -16.6859 -16.5929 -16.5929 -16.5927 -16.5927 -0.9565 -0.9565 -0.9558 -0.9558 4.3194 4.3194 4.3553 4.3553 6.1024 6.1024 6.1351 6.1351 6.9697 6.9697 7.0006 7.0006 7.9932 7.9932 8.0063 8.0063 8.7746 8.7746 8.7774 8.7774 10.4921 10.4921 10.5182 10.5182 15.1534 15.1534 15.2985 15.2985 15.9909 15.9909 16.0730 16.0730 k = 0.4432 0.5000-0.0000 ( 3910 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3247 -24.3247 -24.3247 -24.3247 -16.6869 -16.6869 -16.6867 -16.6867 -16.5931 -16.5931 -16.5929 -16.5929 -0.9553 -0.9553 -0.9546 -0.9546 4.3729 4.3729 4.4045 4.4045 6.1058 6.1058 6.1335 6.1335 6.8947 6.8947 6.9222 6.9222 7.9894 7.9894 8.0004 8.0004 8.7777 8.7777 8.7801 8.7801 10.4889 10.4889 10.5113 10.5113 15.2269 15.2269 15.3789 15.3789 15.9701 15.9701 16.0705 16.0705 k = 0.4545 0.5000-0.0000 ( 3906 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3249 -24.3249 -24.3248 -24.3248 -16.6875 -16.6875 -16.6874 -16.6874 -16.5931 -16.5931 -16.5930 -16.5930 -0.9542 -0.9542 -0.9537 -0.9537 4.4201 4.4201 4.4467 4.4467 6.1089 6.1089 6.1313 6.1313 6.8315 6.8315 6.8547 6.8547 7.9864 7.9864 7.9953 7.9953 8.7807 8.7807 8.7825 8.7825 10.4868 10.4868 10.5051 10.5051 15.3020 15.3020 15.4585 15.4585 15.9358 15.9358 16.0588 16.0588 k = 0.4659 0.5000-0.0000 ( 3910 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3250 -24.3250 -16.6881 -16.6881 -16.6880 -16.6880 -16.5932 -16.5932 -16.5931 -16.5931 -0.9533 -0.9533 -0.9530 -0.9530 4.4596 4.4596 4.4805 4.4805 6.1118 6.1118 6.1288 6.1288 6.7814 6.7814 6.7996 6.7996 7.9843 7.9843 7.9910 7.9910 8.7831 8.7831 8.7845 8.7845 10.4858 10.4858 10.4997 10.4997 15.3776 15.3776 15.5336 15.5336 15.8929 15.8929 16.0339 16.0339 k = 0.4773 0.5000-0.0000 ( 3914 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6885 -16.6885 -16.6884 -16.6884 -16.5933 -16.5933 -16.5932 -16.5932 -0.9527 -0.9527 -0.9525 -0.9525 4.4902 4.4902 4.5045 4.5045 6.1146 6.1146 6.1260 6.1260 6.7456 6.7456 6.7582 6.7582 7.9831 7.9831 7.9875 7.9875 8.7851 8.7851 8.7860 8.7860 10.4857 10.4857 10.4951 10.4951 15.4524 15.4524 15.5940 15.5940 15.8542 15.8542 15.9932 15.9932 k = 0.4886 0.5000-0.0000 ( 3918 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5932 -16.5932 -0.9523 -0.9523 -0.9522 -0.9522 4.5106 4.5106 4.5179 4.5179 6.1173 6.1173 6.1231 6.1231 6.7251 6.7251 6.7315 6.7315 7.9828 7.9828 7.9850 7.9850 8.7864 8.7864 8.7868 8.7868 10.4867 10.4867 10.4914 10.4914 15.5234 15.5234 15.6152 15.6152 15.8463 15.8463 15.9394 15.9394 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9521 -0.9521 -0.9521 -0.9521 4.5199 4.5199 4.5199 4.5199 6.1202 6.1202 6.1202 6.1202 6.7203 6.7203 6.7203 6.7203 7.9834 7.9834 7.9834 7.9834 8.7869 8.7869 8.7869 8.7869 10.4886 10.4886 10.4886 10.4886 15.5837 15.5837 15.5837 15.5837 15.8832 15.8832 15.8832 15.8832 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9521 -0.9521 -0.9521 -0.9521 4.5199 4.5199 4.5199 4.5199 6.1202 6.1202 6.1202 6.1202 6.7203 6.7203 6.7203 6.7203 7.9834 7.9834 7.9834 7.9834 8.7869 8.7869 8.7869 8.7869 10.4886 10.4886 10.4886 10.4886 15.5837 15.5837 15.5837 15.5837 15.8832 15.8832 15.8832 15.8832 k = 0.4919 0.4919-0.0000 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5932 -16.5932 -0.9529 -0.9529 -0.9516 -0.9516 4.5062 4.5062 4.5222 4.5222 6.1171 6.1171 6.1233 6.1233 6.7205 6.7205 6.7361 6.7361 7.9809 7.9809 7.9868 7.9868 8.7860 8.7860 8.7872 8.7872 10.4866 10.4866 10.4915 10.4915 15.5198 15.5198 15.6208 15.6208 15.8419 15.8419 15.9417 15.9417 k = 0.4839 0.4839-0.0000 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6885 -16.6885 -16.6884 -16.6884 -16.5933 -16.5933 -16.5932 -16.5932 -0.9553 -0.9553 -0.9499 -0.9499 4.4687 4.4687 4.5264 4.5264 6.1134 6.1134 6.1273 6.1273 6.7231 6.7231 6.7805 6.7805 7.9741 7.9741 7.9964 7.9964 8.7834 8.7834 8.7877 8.7877 10.4853 10.4853 10.4956 10.4956 15.4333 15.4333 15.6330 15.6330 15.8239 15.8239 16.0028 16.0028 k = 0.4758 0.4758-0.0000 ( 3912 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3250 -24.3250 -16.6881 -16.6881 -16.6880 -16.6880 -16.5933 -16.5933 -16.5930 -16.5930 -0.9592 -0.9592 -0.9471 -0.9471 4.4094 4.4094 4.5333 4.5333 6.1084 6.1084 6.1326 6.1326 6.7275 6.7275 6.8514 6.8514 7.9625 7.9625 8.0119 8.0119 8.7795 8.7795 8.7886 8.7886 10.4844 10.4844 10.5013 10.5013 15.3328 15.3328 15.6240 15.6240 15.8276 15.8276 16.0495 16.0495 k = 0.4677 0.4677-0.0000 ( 3912 PWs) bands (ev): -49.9846 -49.9846 -49.9845 -49.9845 -24.3249 -24.3249 -24.3249 -24.3249 -16.6875 -16.6875 -16.6874 -16.6874 -16.5933 -16.5933 -16.5929 -16.5929 -0.9648 -0.9648 -0.9433 -0.9433 4.3320 4.3320 4.5429 4.5429 6.1023 6.1023 6.1393 6.1393 6.7337 6.7337 6.9453 6.9453 7.9460 7.9460 8.0330 8.0330 8.7746 8.7746 8.7899 8.7899 10.4840 10.4840 10.5086 10.5086 15.2254 15.2254 15.5994 15.5994 15.8471 15.8471 16.0725 16.0725 k = 0.4597 0.4597-0.0000 ( 3910 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3247 -24.3247 -24.3246 -24.3246 -16.6868 -16.6868 -16.6867 -16.6867 -16.5933 -16.5933 -16.5927 -16.5927 -0.9719 -0.9719 -0.9384 -0.9384 4.2404 4.2404 4.5553 4.5553 6.0953 6.0953 6.1474 6.1474 6.7417 6.7417 7.0585 7.0585 7.9243 7.9243 8.0591 8.0591 8.7695 8.7695 8.7916 8.7916 10.4840 10.4840 10.5176 10.5176 15.1159 15.1159 15.5644 15.5644 15.8759 15.8759 16.0757 16.0757 k = 0.4516 0.4516-0.0000 ( 3906 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3245 -24.3245 -24.3244 -24.3244 -16.6859 -16.6859 -16.6857 -16.6857 -16.5933 -16.5933 -16.5925 -16.5925 -0.9807 -0.9807 -0.9325 -0.9325 4.1380 4.1380 4.5704 4.5704 6.0879 6.0879 6.1569 6.1569 6.7516 6.7516 7.1872 7.1872 7.8971 7.8971 8.0896 8.0896 8.7648 8.7648 8.7938 8.7938 10.4847 10.4847 10.5286 10.5286 15.0071 15.0071 15.5226 15.5226 15.9088 15.9088 16.0664 16.0664 k = 0.4435 0.4435-0.0000 ( 3910 PWs) bands (ev): -49.9847 -49.9847 -49.9847 -49.9847 -24.3242 -24.3242 -24.3241 -24.3241 -16.6849 -16.6849 -16.6847 -16.6847 -16.5933 -16.5933 -16.5922 -16.5922 -0.9911 -0.9911 -0.9256 -0.9256 4.0278 4.0278 4.5883 4.5883 6.0805 6.0805 6.1678 6.1678 6.7633 6.7633 7.3284 7.3284 7.8644 7.8644 8.1236 8.1236 8.7611 8.7611 8.7964 8.7964 10.4861 10.4861 10.5413 10.5413 14.9013 14.9013 15.4758 15.4758 15.9413 15.9413 16.0493 16.0493 k = 0.4355 0.4355-0.0000 ( 3910 PWs) bands (ev): -49.9848 -49.9848 -49.9847 -49.9847 -24.3239 -24.3239 -24.3238 -24.3238 -16.6837 -16.6837 -16.6835 -16.6835 -16.5934 -16.5934 -16.5919 -16.5919 -1.0032 -1.0032 -0.9178 -0.9178 3.9121 3.9121 4.6089 4.6089 6.0736 6.0736 6.1802 6.1802 6.7770 6.7770 7.4791 7.4791 7.8265 7.8265 8.1606 8.1606 8.7591 8.7591 8.7995 8.7995 10.4885 10.4885 10.5560 10.5560 14.7999 14.7999 15.4254 15.4254 15.9691 15.9691 16.0271 16.0271 k = 0.4274 0.4274-0.0000 ( 3922 PWs) bands (ev): -49.9849 -49.9849 -49.9848 -49.9848 -24.3237 -24.3237 -24.3235 -24.3235 -16.6824 -16.6824 -16.6822 -16.6822 -16.5935 -16.5935 -16.5916 -16.5916 -1.0169 -1.0169 -0.9092 -0.9092 3.7926 3.7926 4.6323 4.6323 6.0679 6.0679 6.1940 6.1940 6.7925 6.7925 7.6347 7.6347 7.7859 7.7859 8.2000 8.2000 8.7593 8.7593 8.8032 8.8032 10.4919 10.4919 10.5725 10.5725 14.7043 14.7043 15.3720 15.3720 15.9827 15.9827 16.0078 16.0078 k = 0.4194 0.4194-0.0000 ( 3914 PWs) bands (ev): -49.9849 -49.9849 -49.9849 -49.9849 -24.3233 -24.3233 -24.3230 -24.3230 -16.6809 -16.6809 -16.6806 -16.6806 -16.5935 -16.5935 -16.5911 -16.5911 -1.0323 -1.0323 -0.8998 -0.8998 3.6708 3.6708 4.6584 4.6584 6.0637 6.0637 6.2094 6.2094 6.8098 6.8098 7.7184 7.7184 7.8174 7.8174 8.2419 8.2419 8.7621 8.7621 8.8076 8.8076 10.4965 10.4965 10.5909 10.5909 14.6154 14.6154 15.3163 15.3163 15.9601 15.9601 16.0117 16.0117 k = 0.4113 0.4113-0.0000 ( 3910 PWs) bands (ev): -49.9850 -49.9850 -49.9850 -49.9850 -24.3229 -24.3229 -24.3226 -24.3226 -16.6793 -16.6793 -16.6789 -16.6789 -16.5936 -16.5936 -16.5907 -16.5907 -1.0495 -1.0495 -0.8897 -0.8897 3.5477 3.5477 4.6872 4.6872 6.0616 6.0616 6.2262 6.2262 6.8290 6.8290 7.6717 7.6717 7.9763 7.9763 8.2876 8.2876 8.7678 8.7678 8.8128 8.8128 10.5024 10.5024 10.6112 10.6112 14.5343 14.5343 15.2584 15.2584 15.9254 15.9254 16.0149 16.0149 k = 0.4032 0.4032-0.0000 ( 3906 PWs) bands (ev): -49.9851 -49.9851 -49.9851 -49.9851 -24.3224 -24.3224 -24.3220 -24.3220 -16.6775 -16.6775 -16.6771 -16.6771 -16.5936 -16.5936 -16.5902 -16.5902 -1.0683 -1.0683 -0.8790 -0.8790 3.4242 3.4242 4.7188 4.7188 6.0619 6.0619 6.2446 6.2446 6.8497 6.8497 7.6145 7.6145 8.1340 8.1340 8.3445 8.3445 8.7763 8.7763 8.8189 8.8189 10.5097 10.5097 10.6333 10.6333 14.4618 14.4618 15.1987 15.1987 15.8866 15.8866 16.0100 16.0100 k = 0.3952 0.3952-0.0000 ( 3908 PWs) bands (ev): -49.9852 -49.9852 -49.9852 -49.9852 -24.3220 -24.3220 -24.3215 -24.3215 -16.6755 -16.6755 -16.6751 -16.6751 -16.5937 -16.5937 -16.5896 -16.5896 -1.0889 -1.0889 -0.8678 -0.8678 3.3008 3.3008 4.7531 4.7531 6.0652 6.0652 6.2645 6.2645 6.8718 6.8718 7.5532 7.5532 8.2570 8.2570 8.4382 8.4382 8.7881 8.7881 8.8267 8.8267 10.5183 10.5183 10.6571 10.6571 14.3984 14.3984 15.1372 15.1372 15.8449 15.8449 15.9971 15.9971 k = 0.3871 0.3871-0.0000 ( 3906 PWs) bands (ev): -49.9853 -49.9853 -49.9853 -49.9853 -24.3215 -24.3215 -24.3209 -24.3209 -16.6735 -16.6735 -16.6730 -16.6730 -16.5938 -16.5938 -16.5890 -16.5890 -1.1113 -1.1113 -0.8562 -0.8562 3.1781 3.1781 4.7901 4.7901 6.0716 6.0716 6.2860 6.2860 6.8950 6.8950 7.4897 7.4897 8.3258 8.3258 8.5834 8.5834 8.8033 8.8033 8.8387 8.8387 10.5283 10.5283 10.6828 10.6828 14.3449 14.3449 15.0741 15.0741 15.8010 15.8010 15.9775 15.9775 k = 0.3790 0.3790-0.0000 ( 3918 PWs) bands (ev): -49.9855 -49.9855 -49.9854 -49.9854 -24.3211 -24.3211 -24.3203 -24.3203 -16.6714 -16.6714 -16.6708 -16.6708 -16.5939 -16.5939 -16.5884 -16.5884 -1.1353 -1.1353 -0.8443 -0.8443 3.0566 3.0566 4.8299 4.8299 6.0815 6.0815 6.3090 6.3090 6.9185 6.9185 7.4254 7.4254 8.3675 8.3675 8.7333 8.7333 8.8215 8.8215 8.8734 8.8734 10.5397 10.5397 10.7102 10.7102 14.3016 14.3016 15.0093 15.0093 15.7556 15.7556 15.9522 15.9522 k = 0.3710 0.3710-0.0000 ( 3918 PWs) bands (ev): -49.9856 -49.9856 -49.9855 -49.9855 -24.3205 -24.3205 -24.3196 -24.3196 -16.6691 -16.6691 -16.6684 -16.6684 -16.5939 -16.5939 -16.5878 -16.5878 -1.1611 -1.1611 -0.8322 -0.8322 2.9365 2.9365 4.8724 4.8724 6.0952 6.0952 6.3336 6.3336 6.9411 6.9411 7.3626 7.3626 8.3979 8.3979 8.8068 8.8068 8.8379 8.8379 8.9997 8.9997 10.5525 10.5525 10.7393 10.7393 14.2690 14.2690 14.9428 14.9428 15.7092 15.7092 15.9225 15.9225 k = 0.3629 0.3629-0.0000 ( 3918 PWs) bands (ev): -49.9857 -49.9857 -49.9856 -49.9856 -24.3200 -24.3200 -24.3189 -24.3189 -16.6666 -16.6666 -16.6659 -16.6659 -16.5940 -16.5940 -16.5871 -16.5871 -1.1885 -1.1885 -0.8200 -0.8200 2.8181 2.8181 4.9175 4.9175 6.1128 6.1128 6.3597 6.3597 6.9601 6.9601 7.3044 7.3044 8.4213 8.4213 8.8316 8.8316 8.8545 8.8545 9.1827 9.1827 10.5666 10.5666 10.7700 10.7700 14.2470 14.2470 14.8746 14.8746 15.6624 15.6624 15.8895 15.8895 k = 0.3548 0.3548-0.0000 ( 3914 PWs) bands (ev): -49.9859 -49.9859 -49.9858 -49.9858 -24.3193 -24.3193 -24.3182 -24.3182 -16.6640 -16.6640 -16.6632 -16.6632 -16.5940 -16.5940 -16.5864 -16.5864 -1.2176 -1.2176 -0.8079 -0.8079 2.7016 2.7016 4.9654 4.9654 6.1344 6.1344 6.3873 6.3873 6.9703 6.9703 7.2570 7.2570 8.4389 8.4389 8.8457 8.8457 8.8751 8.8751 9.3782 9.3782 10.5820 10.5820 10.8023 10.8023 14.2355 14.2355 14.8045 14.8045 15.6155 15.6155 15.8540 15.8540 k = 0.3468 0.3468-0.0000 ( 3920 PWs) bands (ev): -49.9860 -49.9860 -49.9859 -49.9859 -24.3187 -24.3187 -24.3175 -24.3175 -16.6613 -16.6613 -16.6605 -16.6605 -16.5940 -16.5940 -16.5857 -16.5857 -1.2483 -1.2483 -0.7959 -0.7959 2.5873 2.5873 5.0160 5.0160 6.1603 6.1603 6.4165 6.4165 6.9639 6.9639 7.2287 7.2287 8.4509 8.4509 8.8565 8.8565 8.8988 8.8988 9.5789 9.5789 10.5987 10.5987 10.8362 10.8362 14.2342 14.2342 14.7325 14.7325 15.5692 15.5692 15.8165 15.8165 k = 0.3387 0.3387-0.0000 ( 3922 PWs) bands (ev): -49.9862 -49.9862 -49.9860 -49.9860 -24.3180 -24.3180 -24.3168 -24.3168 -16.6585 -16.6585 -16.6577 -16.6577 -16.5941 -16.5941 -16.5850 -16.5850 -1.2806 -1.2806 -0.7841 -0.7841 2.4751 2.4751 5.0692 5.0692 6.1904 6.1904 6.4472 6.4472 6.9360 6.9360 7.2252 7.2252 8.4577 8.4577 8.8664 8.8664 8.9242 8.9242 9.7826 9.7826 10.6167 10.6167 10.8715 10.8715 14.2423 14.2423 14.6588 14.6588 15.5235 15.5235 15.7778 15.7778 k = 0.3306 0.3306-0.0000 ( 3922 PWs) bands (ev): -49.9863 -49.9863 -49.9862 -49.9862 -24.3173 -24.3173 -24.3160 -24.3160 -16.6556 -16.6556 -16.6547 -16.6547 -16.5941 -16.5941 -16.5842 -16.5842 -1.3144 -1.3144 -0.7728 -0.7728 2.3653 2.3653 5.1252 5.1252 6.2248 6.2248 6.4792 6.4792 6.8913 6.8913 7.2425 7.2425 8.4593 8.4593 8.8762 8.8762 8.9508 8.9508 9.9883 9.9883 10.6361 10.6361 10.9082 10.9082 14.2581 14.2581 14.5839 14.5839 15.4787 15.4787 15.7379 15.7379 k = 0.3226 0.3226-0.0000 ( 3922 PWs) bands (ev): -49.9865 -49.9865 -49.9863 -49.9863 -24.3166 -24.3166 -24.3152 -24.3152 -16.6526 -16.6526 -16.6516 -16.6516 -16.5941 -16.5941 -16.5833 -16.5833 -1.3496 -1.3496 -0.7620 -0.7620 2.2580 2.2580 5.1838 5.1838 6.2633 6.2633 6.5125 6.5125 6.8380 6.8380 7.2731 7.2731 8.4560 8.4560 8.8862 8.8862 8.9783 8.9783 10.1951 10.1951 10.6570 10.6570 10.9463 10.9463 14.2785 14.2785 14.5096 14.5096 15.4345 15.4345 15.6971 15.6971 k = 0.3145 0.3145-0.0000 ( 3927 PWs) bands (ev): -49.9866 -49.9866 -49.9865 -49.9865 -24.3159 -24.3159 -24.3144 -24.3144 -16.6495 -16.6495 -16.6485 -16.6485 -16.5941 -16.5941 -16.5825 -16.5825 -1.3862 -1.3862 -0.7518 -0.7518 2.1533 2.1533 5.2450 5.2450 6.3059 6.3059 6.5466 6.5466 6.7820 6.7820 7.3119 7.3119 8.4482 8.4482 8.8968 8.8968 9.0062 9.0062 10.4017 10.4017 10.6802 10.6802 10.9857 10.9857 14.2938 14.2938 14.4437 14.4437 15.3904 15.3904 15.6557 15.6557 k = 0.3065 0.3065-0.0000 ( 3921 PWs) bands (ev): -49.9868 -49.9868 -49.9866 -49.9866 -24.3151 -24.3151 -24.3134 -24.3134 -16.6463 -16.6463 -16.6452 -16.6452 -16.5941 -16.5941 -16.5816 -16.5816 -1.4240 -1.4240 -0.7424 -0.7424 2.0511 2.0511 5.3089 5.3089 6.3523 6.3523 6.5800 6.5800 6.7282 6.7282 7.3562 7.3562 8.4361 8.4361 8.9082 8.9082 9.0344 9.0344 10.6019 10.6019 10.7110 10.7110 11.0266 11.0266 14.2738 14.2738 14.4145 14.4145 15.3450 15.3450 15.6141 15.6141 k = 0.2984 0.2984-0.0000 ( 3917 PWs) bands (ev): -49.9870 -49.9870 -49.9868 -49.9868 -24.3144 -24.3144 -24.3125 -24.3125 -16.6430 -16.6430 -16.6418 -16.6418 -16.5941 -16.5941 -16.5807 -16.5807 -1.4630 -1.4630 -0.7338 -0.7338 1.9516 1.9516 5.3754 5.3754 6.4020 6.4020 6.6045 6.6045 6.6866 6.6866 7.4049 7.4049 8.4202 8.4202 8.9204 8.9204 9.0623 9.0623 10.7110 10.7110 10.8325 10.8325 11.0700 11.0700 14.2070 14.2070 14.4310 14.4310 15.2968 15.2968 15.5735 15.5735 k = 0.2903 0.2903-0.0000 ( 3913 PWs) bands (ev): -49.9871 -49.9871 -49.9870 -49.9870 -24.3136 -24.3136 -24.3115 -24.3115 -16.6396 -16.6396 -16.6383 -16.6383 -16.5940 -16.5940 -16.5797 -16.5797 -1.5031 -1.5031 -0.7262 -0.7262 1.8549 1.8549 5.4445 5.4445 6.4537 6.4537 6.5911 6.5911 6.6883 6.6883 7.4570 7.4570 8.4012 8.4012 8.9337 8.9337 9.0898 9.0898 10.7428 10.7428 11.0223 11.0223 11.1239 11.1239 14.1215 14.1215 14.4622 14.4622 15.2442 15.2442 15.5345 15.5345 k = 0.2823 0.2823-0.0000 ( 3919 PWs) bands (ev): -49.9873 -49.9873 -49.9871 -49.9871 -24.3129 -24.3129 -24.3106 -24.3106 -16.6362 -16.6362 -16.6348 -16.6348 -16.5940 -16.5940 -16.5788 -16.5788 -1.5442 -1.5442 -0.7196 -0.7196 1.7609 1.7609 5.5162 5.5162 6.4990 6.4990 6.5601 6.5601 6.7217 6.7217 7.5124 7.5124 8.3798 8.3798 8.9482 8.9482 9.1163 9.1163 10.7708 10.7708 11.1319 11.1319 11.2624 11.2624 14.0282 14.0282 14.4945 14.4945 15.1862 15.1862 15.4936 15.4936 k = 0.2742 0.2742-0.0000 ( 3925 PWs) bands (ev): -49.9875 -49.9875 -49.9873 -49.9873 -24.3121 -24.3121 -24.3097 -24.3097 -16.6328 -16.6328 -16.6314 -16.6314 -16.5940 -16.5940 -16.5779 -16.5779 -1.5860 -1.5860 -0.7142 -0.7142 1.6696 1.6696 5.5905 5.5905 6.4884 6.4884 6.5851 6.5851 6.7628 6.7628 7.5707 7.5707 8.3569 8.3569 8.9639 8.9639 9.1416 9.1416 10.7992 10.7992 11.1815 11.1815 11.4604 11.4604 13.9299 13.9299 14.5226 14.5226 15.1234 15.1234 15.4196 15.4196 k = 0.2661 0.2661-0.0000 ( 3929 PWs) bands (ev): -49.9877 -49.9877 -49.9875 -49.9875 -24.3114 -24.3114 -24.3088 -24.3088 -16.6292 -16.6292 -16.6278 -16.6278 -16.5939 -16.5939 -16.5770 -16.5770 -1.6286 -1.6286 -0.7099 -0.7099 1.5812 1.5812 5.6673 5.6673 6.4500 6.4500 6.6423 6.6423 6.8073 6.8073 7.6317 7.6317 8.3334 8.3334 8.9808 8.9808 9.1653 9.1653 10.8287 10.8287 11.2253 11.2253 11.6620 11.6620 13.8276 13.8276 14.5440 14.5440 15.0572 15.0572 15.3194 15.3194 k = 0.2581 0.2581-0.0000 ( 3933 PWs) bands (ev): -49.9879 -49.9879 -49.9877 -49.9877 -24.3106 -24.3106 -24.3078 -24.3078 -16.6257 -16.6257 -16.6243 -16.6243 -16.5937 -16.5937 -16.5760 -16.5760 -1.6718 -1.6718 -0.7069 -0.7069 1.4956 1.4956 5.7465 5.7465 6.4118 6.4118 6.7040 6.7040 6.8540 6.8540 7.6954 7.6954 8.3104 8.3104 8.9991 8.9991 9.1870 9.1870 10.8593 10.8593 11.2675 11.2675 11.8616 11.8616 13.7216 13.7216 14.5568 14.5568 14.9900 14.9900 15.2149 15.2149 k = 0.2500 0.2500-0.0000 ( 3933 PWs) bands (ev): -49.9880 -49.9880 -49.9878 -49.9878 -24.3098 -24.3098 -24.3069 -24.3069 -16.6221 -16.6221 -16.6207 -16.6207 -16.5936 -16.5936 -16.5750 -16.5750 -1.7154 -1.7154 -0.7052 -0.7052 1.4127 1.4127 5.8283 5.8283 6.3771 6.3771 6.7667 6.7667 6.9028 6.9028 7.7616 7.7616 8.2893 8.2893 9.0187 9.0187 9.2065 9.2065 10.8912 10.8912 11.3085 11.3085 12.0574 12.0574 13.6123 13.6123 14.5598 14.5598 14.9245 14.9245 15.1097 15.1097 k = 0.2419 0.2419-0.0000 ( 3919 PWs) bands (ev): -49.9882 -49.9882 -49.9880 -49.9880 -24.3088 -24.3088 -24.3059 -24.3059 -16.6183 -16.6183 -16.6171 -16.6171 -16.5932 -16.5932 -16.5740 -16.5740 -1.7593 -1.7593 -0.7048 -0.7048 1.3328 1.3328 5.9124 5.9124 6.3465 6.3465 6.8290 6.8290 6.9533 6.9533 7.8303 7.8303 8.2715 8.2715 9.0396 9.0396 9.2234 9.2234 10.9244 10.9244 11.3482 11.3482 12.2478 12.2478 13.5000 13.5000 14.5518 14.5518 14.8643 14.8643 15.0058 15.0058 k = 0.2339 0.2339-0.0000 ( 3921 PWs) bands (ev): -49.9884 -49.9884 -49.9882 -49.9882 -24.3080 -24.3080 -24.3049 -24.3049 -16.6147 -16.6147 -16.6136 -16.6136 -16.5929 -16.5929 -16.5730 -16.5730 -1.8034 -1.8034 -0.7057 -0.7057 1.2556 1.2556 5.9988 5.9988 6.3205 6.3205 6.8894 6.8894 7.0053 7.0053 7.9013 7.9013 8.2588 8.2588 9.0616 9.0616 9.2377 9.2377 10.9588 10.9588 11.3862 11.3862 12.4313 12.4313 13.3851 13.3851 14.5306 14.5306 14.8127 14.8127 14.9053 14.9053 k = 0.2258 0.2258-0.0000 ( 3919 PWs) bands (ev): -49.9886 -49.9886 -49.9883 -49.9883 -24.3072 -24.3072 -24.3039 -24.3039 -16.6111 -16.6111 -16.6102 -16.6102 -16.5924 -16.5924 -16.5720 -16.5720 -1.8476 -1.8476 -0.7079 -0.7079 1.1812 1.1812 6.0873 6.0873 6.2994 6.2994 6.9467 6.9467 7.0584 7.0584 7.9745 7.9745 8.2530 8.2530 9.0846 9.0846 9.2492 9.2492 10.9943 10.9943 11.4221 11.4221 12.6058 12.6058 13.2683 13.2683 14.4954 14.4954 14.7673 14.7673 14.8153 14.8153 k = 0.2177 0.2177-0.0000 ( 3925 PWs) bands (ev): -49.9887 -49.9887 -49.9885 -49.9885 -24.3064 -24.3064 -24.3030 -24.3030 -16.6075 -16.6075 -16.6070 -16.6070 -16.5917 -16.5917 -16.5710 -16.5710 -1.8916 -1.8916 -0.7115 -0.7115 1.1097 1.1097 6.1768 6.1768 6.2844 6.2844 6.9994 6.9994 7.1121 7.1121 8.0497 8.0497 8.2563 8.2563 9.1082 9.1082 9.2581 9.2581 11.0306 11.0306 11.4554 11.4554 12.7682 12.7682 13.1512 13.1512 14.4478 14.4478 14.6976 14.6976 14.7673 14.7673 k = 0.2097 0.2097-0.0000 ( 3921 PWs) bands (ev): -49.9889 -49.9889 -49.9887 -49.9887 -24.3056 -24.3056 -24.3020 -24.3020 -16.6045 -16.6045 -16.6036 -16.6036 -16.5907 -16.5907 -16.5700 -16.5700 -1.9354 -1.9354 -0.7162 -0.7162 1.0409 1.0409 6.2508 6.2508 6.2918 6.2918 7.0459 7.0459 7.1661 7.1661 8.1268 8.1268 8.2706 8.2706 9.1316 9.1316 9.2651 9.2651 11.0675 11.0675 11.4856 11.4856 12.9039 12.9039 13.0470 13.0470 14.3923 14.3923 14.6123 14.6123 14.7510 14.7510 k = 0.2016 0.2016-0.0000 ( 3923 PWs) bands (ev): -49.9891 -49.9891 -49.9888 -49.9888 -24.3048 -24.3048 -24.3010 -24.3010 -16.6020 -16.6020 -16.6000 -16.6000 -16.5892 -16.5892 -16.5691 -16.5691 -1.9788 -1.9788 -0.7222 -0.7222 0.9749 0.9749 6.2570 6.2570 6.3741 6.3741 7.0845 7.0845 7.2207 7.2207 8.2053 8.2053 8.2980 8.2980 9.1534 9.1534 9.2715 9.2715 11.1048 11.1048 11.5121 11.5121 12.8791 12.8791 13.0879 13.0879 14.3331 14.3331 14.5301 14.5301 14.7453 14.7453 k = 0.1935 0.1935-0.0000 ( 3933 PWs) bands (ev): -49.9893 -49.9893 -49.9890 -49.9890 -24.3042 -24.3042 -24.3001 -24.3001 -16.6002 -16.6002 -16.5965 -16.5965 -16.5873 -16.5873 -16.5681 -16.5681 -2.0217 -2.0217 -0.7292 -0.7292 0.9117 0.9117 6.2558 6.2558 6.4705 6.4705 7.1135 7.1135 7.2763 7.2763 8.2843 8.2843 8.3401 8.3401 9.1708 9.1708 9.2802 9.2802 11.1420 11.1420 11.5342 11.5342 12.7619 12.7619 13.2044 13.2044 14.2737 14.2737 14.4540 14.4540 14.7452 14.7452 k = 0.1855 0.1855-0.0000 ( 3927 PWs) bands (ev): -49.9894 -49.9894 -49.9892 -49.9892 -24.3033 -24.3033 -24.2992 -24.2992 -16.5989 -16.5989 -16.5929 -16.5929 -16.5848 -16.5848 -16.5672 -16.5672 -2.0640 -2.0640 -0.7373 -0.7373 0.8512 0.8512 6.2581 6.2581 6.5701 6.5701 7.1324 7.1324 7.3335 7.3335 8.3623 8.3623 8.3985 8.3985 9.1801 9.1801 9.2949 9.2949 11.1788 11.1788 11.5515 11.5515 12.6368 12.6368 13.3110 13.3110 14.2166 14.2166 14.3852 14.3852 14.7483 14.7483 k = 0.1774 0.1774-0.0000 ( 3937 PWs) bands (ev): -49.9896 -49.9896 -49.9893 -49.9893 -24.3026 -24.3026 -24.2984 -24.2984 -16.5980 -16.5980 -16.5895 -16.5895 -16.5821 -16.5821 -16.5662 -16.5662 -2.1055 -2.1055 -0.7464 -0.7464 0.7934 0.7934 6.2646 6.2646 6.6718 6.6718 7.1415 7.1415 7.3922 7.3922 8.4396 8.4396 8.4717 8.4717 9.1796 9.1796 9.3174 9.3174 11.2147 11.2147 11.5632 11.5632 12.5093 12.5093 13.4018 13.4018 14.1636 14.1636 14.3244 14.3244 14.7524 14.7524 k = 0.1694 0.1694-0.0000 ( 3941 PWs) bands (ev): -49.9898 -49.9898 -49.9895 -49.9895 -24.3019 -24.3019 -24.2975 -24.2975 -16.5974 -16.5974 -16.5860 -16.5860 -16.5792 -16.5792 -16.5653 -16.5653 -2.1461 -2.1461 -0.7563 -0.7563 0.7384 0.7384 6.2753 6.2753 6.7755 6.7755 7.1420 7.1420 7.4524 7.4524 8.5211 8.5211 8.5533 8.5533 9.1710 9.1710 9.3468 9.3468 11.2492 11.2492 11.5689 11.5689 12.3805 12.3805 13.4759 13.4759 14.1159 14.1159 14.2721 14.2721 14.7552 14.7552 k = 0.1613 0.1613-0.0000 ( 3939 PWs) bands (ev): -49.9899 -49.9899 -49.9896 -49.9896 -24.3011 -24.3011 -24.2967 -24.2967 -16.5969 -16.5969 -16.5826 -16.5826 -16.5761 -16.5761 -16.5644 -16.5644 -2.1856 -2.1856 -0.7669 -0.7669 0.6861 0.6861 6.2901 6.2901 6.8809 6.8809 7.1355 7.1355 7.5140 7.5140 8.6088 8.6088 8.6388 8.6388 9.1568 9.1568 9.3810 9.3810 11.2819 11.2819 11.5681 11.5681 12.2509 12.2509 13.5334 13.5334 14.0747 14.0747 14.2288 14.2288 14.7525 14.7525 k = 0.1532 0.1532-0.0000 ( 3929 PWs) bands (ev): -49.9901 -49.9901 -49.9897 -49.9897 -24.3004 -24.3004 -24.2958 -24.2958 -16.5965 -16.5965 -16.5793 -16.5793 -16.5730 -16.5730 -16.5634 -16.5634 -2.2240 -2.2240 -0.7781 -0.7781 0.6364 0.6364 6.3089 6.3089 6.9872 6.9872 7.1240 7.1240 7.5769 7.5769 8.6990 8.6990 8.7287 8.7287 9.1399 9.1399 9.4188 9.4188 11.3123 11.3123 11.5605 11.5605 12.1209 12.1209 13.5753 13.5753 14.0405 14.0405 14.1946 14.1946 14.7209 14.7209 k = 0.1452 0.1452-0.0000 ( 3933 PWs) bands (ev): -49.9902 -49.9902 -49.9899 -49.9899 -24.2998 -24.2998 -24.2950 -24.2950 -16.5962 -16.5962 -16.5762 -16.5762 -16.5700 -16.5700 -16.5625 -16.5625 -2.2612 -2.2612 -0.7897 -0.7897 0.5894 0.5894 6.3313 6.3313 7.0849 7.0849 7.1183 7.1183 7.6408 7.6408 8.7826 8.7826 8.8272 8.8272 9.1242 9.1242 9.4595 9.4595 11.3399 11.3399 11.5458 11.5458 11.9909 11.9909 13.6034 13.6034 14.0133 14.0133 14.1692 14.1692 14.5968 14.5968 k = 0.1371 0.1371-0.0000 ( 3929 PWs) bands (ev): -49.9903 -49.9903 -49.9900 -49.9900 -24.2991 -24.2991 -24.2942 -24.2942 -16.5960 -16.5960 -16.5731 -16.5731 -16.5670 -16.5670 -16.5615 -16.5615 -2.2969 -2.2969 -0.8017 -0.8017 0.5450 0.5450 6.3573 6.3573 7.0837 7.0837 7.2096 7.2096 7.7058 7.7058 8.8504 8.8504 8.9343 8.9343 9.1177 9.1177 9.5027 9.5027 11.3644 11.3644 11.5242 11.5242 11.8614 11.8614 13.6198 13.6198 13.9928 13.9928 14.1520 14.1520 14.4385 14.4385 k = 0.1290 0.1290-0.0000 ( 3937 PWs) bands (ev): -49.9905 -49.9905 -49.9902 -49.9902 -24.2985 -24.2985 -24.2935 -24.2935 -16.5958 -16.5958 -16.5703 -16.5703 -16.5644 -16.5644 -16.5605 -16.5605 -2.3312 -2.3312 -0.8139 -0.8139 0.5033 0.5033 6.3864 6.3864 7.0634 7.0634 7.3190 7.3190 7.7717 7.7717 8.8903 8.8903 9.0467 9.0467 9.1346 9.1346 9.5483 9.5483 11.3852 11.3852 11.4954 11.4954 11.7329 11.7329 13.6269 13.6269 13.9776 13.9776 14.1400 14.1400 14.2790 14.2790 k = 0.1210 0.1210-0.0000 ( 3945 PWs) bands (ev): -49.9906 -49.9906 -49.9903 -49.9903 -24.2979 -24.2979 -24.2929 -24.2929 -16.5956 -16.5956 -16.5675 -16.5675 -16.5623 -16.5623 -16.5591 -16.5591 -2.3639 -2.3639 -0.8261 -0.8261 0.4641 0.4641 6.4184 6.4184 7.0411 7.0411 7.4294 7.4294 7.8386 7.8386 8.8946 8.8946 9.1617 9.1617 9.1840 9.1840 9.5962 9.5962 11.4007 11.4007 11.4595 11.4595 11.6077 11.6077 13.6267 13.6267 13.9654 13.9654 14.0938 14.0938 14.1630 14.1630 k = 0.1129 0.1129-0.0000 ( 3949 PWs) bands (ev): -49.9907 -49.9907 -49.9904 -49.9904 -24.2974 -24.2974 -24.2922 -24.2922 -16.5955 -16.5955 -16.5649 -16.5649 -16.5606 -16.5606 -16.5571 -16.5571 -2.3950 -2.3950 -0.8383 -0.8383 0.4276 0.4276 6.4529 6.4529 7.0183 7.0183 7.5396 7.5396 7.9065 7.9065 8.8740 8.8740 9.2526 9.2526 9.2809 9.2809 9.6464 9.6464 11.3971 11.3971 11.4197 11.4197 11.4969 11.4969 13.6207 13.6207 13.9264 13.9264 13.9802 13.9802 14.1539 14.1539 k = 0.1048 0.1048-0.0000 ( 3945 PWs) bands (ev): -49.9908 -49.9908 -49.9905 -49.9905 -24.2969 -24.2969 -24.2915 -24.2915 -16.5954 -16.5954 -16.5626 -16.5626 -16.5594 -16.5594 -16.5548 -16.5548 -2.4243 -2.4243 -0.8503 -0.8503 0.3936 0.3936 6.4896 6.4896 6.9955 6.9955 7.6486 7.6486 7.9760 7.9760 8.8408 8.8408 9.3329 9.3329 9.3979 9.3979 9.6991 9.6991 11.3168 11.3168 11.3813 11.3813 11.4537 11.4537 13.6080 13.6080 13.7885 13.7885 13.9642 13.9642 14.1601 14.1601 k = 0.0968 0.0968-0.0000 ( 3949 PWs) bands (ev): -49.9910 -49.9910 -49.9906 -49.9906 -24.2964 -24.2964 -24.2909 -24.2909 -16.5953 -16.5953 -16.5607 -16.5607 -16.5581 -16.5581 -16.5525 -16.5525 -2.4517 -2.4517 -0.8620 -0.8620 0.3622 0.3622 6.5280 6.5280 6.9732 6.9732 7.7549 7.7549 8.0475 8.0475 8.8012 8.8012 9.4163 9.4163 9.5137 9.5137 9.7546 9.7546 11.1997 11.1997 11.3287 11.3287 11.4550 11.4550 13.5748 13.5748 13.6603 13.6603 13.9618 13.9618 14.1710 14.1710 k = 0.0887 0.0887-0.0000 ( 3941 PWs) bands (ev): -49.9910 -49.9910 -49.9907 -49.9907 -24.2959 -24.2959 -24.2903 -24.2903 -16.5951 -16.5951 -16.5593 -16.5593 -16.5565 -16.5565 -16.5503 -16.5503 -2.4773 -2.4773 -0.8732 -0.8732 0.3334 0.3334 6.5675 6.5675 6.9518 6.9518 7.8565 7.8565 8.1223 8.1223 8.7584 8.7584 9.5001 9.5001 9.6260 9.6260 9.8136 9.8136 11.0769 11.0769 11.2726 11.2726 11.4600 11.4600 13.4704 13.4704 13.6046 13.6046 13.9628 13.9628 14.1847 14.1847 k = 0.0806 0.0806-0.0000 ( 3937 PWs) bands (ev): -49.9911 -49.9911 -49.9908 -49.9908 -24.2954 -24.2954 -24.2898 -24.2898 -16.5950 -16.5950 -16.5584 -16.5584 -16.5547 -16.5547 -16.5482 -16.5482 -2.5008 -2.5008 -0.8838 -0.8838 0.3071 0.3071 6.6078 6.6078 6.9315 6.9315 7.9510 7.9510 8.2018 8.2018 8.7140 8.7140 9.5824 9.5824 9.7320 9.7320 9.8776 9.8776 10.9540 10.9540 11.2134 11.2134 11.4642 11.4642 13.3398 13.3398 13.5782 13.5782 13.9667 13.9667 14.2003 14.2003 k = 0.0726 0.0726-0.0000 ( 3937 PWs) bands (ev): -49.9912 -49.9912 -49.9909 -49.9909 -24.2951 -24.2951 -24.2893 -24.2893 -16.5949 -16.5949 -16.5577 -16.5577 -16.5530 -16.5530 -16.5463 -16.5463 -2.5224 -2.5224 -0.8938 -0.8938 0.2833 0.2833 6.6481 6.6481 6.9126 6.9126 8.0359 8.0359 8.2874 8.2874 8.6695 8.6695 9.6619 9.6619 9.8282 9.8282 9.9486 9.9486 10.8324 10.8324 11.1515 11.1515 11.4670 11.4670 13.2130 13.2130 13.5524 13.5524 13.9737 13.9737 14.2170 14.2170 k = 0.0645 0.0645-0.0000 ( 3933 PWs) bands (ev): -49.9913 -49.9913 -49.9909 -49.9909 -24.2947 -24.2947 -24.2888 -24.2888 -16.5948 -16.5948 -16.5571 -16.5571 -16.5513 -16.5513 -16.5445 -16.5445 -2.5418 -2.5418 -0.9030 -0.9030 0.2621 0.2621 6.6878 6.6878 6.8953 6.8953 8.1095 8.1095 8.3790 8.3790 8.6262 8.6262 9.7376 9.7376 9.9121 9.9121 10.0275 10.0275 10.7132 10.7132 11.0874 11.0874 11.4687 11.4687 13.0944 13.0944 13.5243 13.5243 13.9844 13.9844 14.2341 14.2341 k = 0.0565 0.0565-0.0000 ( 3937 PWs) bands (ev): -49.9914 -49.9914 -49.9910 -49.9910 -24.2944 -24.2944 -24.2885 -24.2885 -16.5948 -16.5948 -16.5567 -16.5567 -16.5498 -16.5498 -16.5430 -16.5430 -2.5590 -2.5590 -0.9113 -0.9113 0.2434 0.2434 6.7261 6.7261 6.8797 6.8797 8.1717 8.1717 8.4748 8.4748 8.5857 8.5857 9.8081 9.8081 9.9857 9.9857 10.1109 10.1109 10.5972 10.5972 11.0216 11.0216 11.4694 11.4694 12.9860 12.9860 13.4942 13.4942 13.9992 13.9992 14.2507 14.2507 k = 0.0484 0.0484-0.0000 ( 3933 PWs) bands (ev): -49.9914 -49.9914 -49.9911 -49.9911 -24.2941 -24.2941 -24.2881 -24.2881 -16.5947 -16.5947 -16.5563 -16.5563 -16.5485 -16.5485 -16.5416 -16.5416 -2.5740 -2.5740 -0.9187 -0.9187 0.2272 0.2272 6.7622 6.7622 6.8660 6.8660 8.2229 8.2229 8.5462 8.5462 8.5753 8.5753 9.8723 9.8723 10.0531 10.0531 10.1930 10.1930 10.4857 10.4857 10.9548 10.9548 11.4695 11.4695 12.8890 12.8890 13.4632 13.4632 14.0184 14.0184 14.2662 14.2662 k = 0.0403 0.0403-0.0000 ( 3931 PWs) bands (ev): -49.9915 -49.9915 -49.9911 -49.9911 -24.2938 -24.2938 -24.2879 -24.2879 -16.5946 -16.5946 -16.5560 -16.5560 -16.5473 -16.5473 -16.5404 -16.5404 -2.5868 -2.5868 -0.9251 -0.9251 0.2135 0.2135 6.7951 6.7951 6.8542 6.8542 8.2629 8.2629 8.5173 8.5173 8.6694 8.6694 9.9291 9.9291 10.1165 10.1165 10.2696 10.2696 10.3804 10.3804 10.8875 10.8875 11.4691 11.4691 12.8047 12.8047 13.4330 13.4330 14.0420 14.0420 14.2797 14.2797 k = 0.0323 0.0323-0.0000 ( 3931 PWs) bands (ev): -49.9915 -49.9915 -49.9911 -49.9911 -24.2936 -24.2936 -24.2876 -24.2876 -16.5946 -16.5946 -16.5557 -16.5557 -16.5464 -16.5464 -16.5394 -16.5394 -2.5973 -2.5973 -0.9304 -0.9304 0.2022 0.2022 6.8239 6.8239 6.8445 6.8445 8.2915 8.2915 8.4947 8.4947 8.7597 8.7597 9.9771 9.9771 10.1763 10.1763 10.2841 10.2841 10.3384 10.3384 10.8206 10.8206 11.4685 11.4685 12.7340 12.7340 13.4053 13.4053 14.0699 14.0699 14.2902 14.2902 k = 0.0242 0.0242-0.0000 ( 3929 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2935 -24.2935 -24.2874 -24.2874 -16.5946 -16.5946 -16.5555 -16.5555 -16.5457 -16.5457 -16.5387 -16.5387 -2.6055 -2.6055 -0.9345 -0.9345 0.1935 0.1935 6.8368 6.8368 6.8475 6.8475 8.3083 8.3083 8.4812 8.4812 8.8402 8.8402 10.0148 10.0148 10.2006 10.2006 10.2312 10.2312 10.3986 10.3986 10.7549 10.7549 11.4679 11.4679 12.6778 12.6778 13.3817 13.3817 14.1017 14.1017 14.2959 14.2959 k = 0.0161 0.0161-0.0000 ( 3929 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2873 -24.2873 -16.5946 -16.5946 -16.5554 -16.5554 -16.5452 -16.5452 -16.5381 -16.5381 -2.6114 -2.6114 -0.9376 -0.9376 0.1873 0.1873 6.8313 6.8313 6.8652 6.8652 8.3156 8.3156 8.4757 8.4757 8.9051 8.9051 10.0396 10.0396 10.1369 10.1369 10.2775 10.2775 10.4514 10.4514 10.6919 10.6919 11.4674 11.4674 12.6372 12.6372 13.3638 13.3638 14.1362 14.1362 14.2925 14.2925 k = 0.0081 0.0081-0.0000 ( 3941 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2872 -24.2872 -16.5946 -16.5946 -16.5553 -16.5553 -16.5449 -16.5449 -16.5378 -16.5378 -2.6149 -2.6149 -0.9394 -0.9394 0.1836 0.1836 6.8280 6.8280 6.8761 6.8761 8.3173 8.3173 8.4747 8.4747 8.9480 8.9480 10.0466 10.0466 10.1029 10.1029 10.3096 10.3096 10.4980 10.4980 10.6352 10.6352 11.4670 11.4670 12.6125 12.6125 13.3525 13.3525 14.1697 14.1697 14.2755 14.2755 k = 0.0000 0.0000 0.0000 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2872 -24.2872 -16.5946 -16.5946 -16.5553 -16.5553 -16.5448 -16.5448 -16.5377 -16.5377 -2.6161 -2.6161 -0.9400 -0.9400 0.1823 0.1823 6.8269 6.8269 6.8798 6.8798 8.3175 8.3175 8.4748 8.4748 8.9631 8.9631 10.0435 10.0435 10.0963 10.0963 10.3211 10.3211 10.5252 10.5252 10.6038 10.6038 11.4669 11.4669 12.6042 12.6042 13.3487 13.3487 14.1879 14.1879 14.2614 14.2614 k = 0.0000 0.0000 0.0000 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2934 -24.2934 -24.2872 -24.2872 -16.5946 -16.5946 -16.5553 -16.5553 -16.5448 -16.5448 -16.5377 -16.5377 -2.6161 -2.6161 -0.9400 -0.9400 0.1823 0.1823 6.8269 6.8269 6.8798 6.8798 8.3175 8.3175 8.4748 8.4748 8.9631 8.9631 10.0435 10.0435 10.0963 10.0963 10.3211 10.3211 10.5252 10.5252 10.6038 10.6038 11.4669 11.4669 12.6042 12.6042 13.3487 13.3487 14.1879 14.1879 14.2614 14.2614 k = 0.0000 0.0000 0.0114 ( 3929 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2933 -24.2933 -24.2871 -24.2871 -16.5945 -16.5945 -16.5553 -16.5553 -16.5448 -16.5448 -16.5377 -16.5377 -2.6155 -2.6155 -0.9417 -0.9417 0.1834 0.1834 6.7754 6.7754 6.9353 6.9353 8.3175 8.3175 8.4749 8.4749 8.9637 8.9637 10.0432 10.0432 10.0961 10.0961 10.3212 10.3212 10.5252 10.5252 10.6014 10.6014 11.4568 11.4568 12.6079 12.6079 13.3520 13.3520 14.1880 14.1880 14.2623 14.2623 k = 0.0000 0.0000 0.0227 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2933 -24.2933 -24.2873 -24.2873 -16.5944 -16.5944 -16.5555 -16.5555 -16.5448 -16.5448 -16.5378 -16.5378 -2.6138 -2.6138 -0.9469 -0.9469 0.1866 0.1866 6.7081 6.7081 7.0145 7.0145 8.3176 8.3176 8.4752 8.4752 8.9653 8.9653 10.0422 10.0422 10.0955 10.0955 10.3212 10.3212 10.5252 10.5252 10.5943 10.5943 11.4270 11.4270 12.6191 12.6191 13.3618 13.3618 14.1882 14.1882 14.2651 14.2651 k = 0.0000 0.0000 0.0341 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2933 -24.2933 -24.2873 -24.2873 -16.5942 -16.5942 -16.5557 -16.5557 -16.5447 -16.5447 -16.5378 -16.5378 -2.6109 -2.6109 -0.9553 -0.9553 0.1918 0.1918 6.6432 6.6432 7.0991 7.0991 8.3178 8.3178 8.4758 8.4758 8.9681 8.9681 10.0406 10.0406 10.0944 10.0944 10.3212 10.3212 10.5251 10.5251 10.5828 10.5828 11.3782 11.3782 12.6372 12.6372 13.3781 13.3781 14.1886 14.1886 14.2698 14.2698 k = 0.0000 0.0000 0.0455 ( 3941 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2932 -24.2932 -24.2874 -24.2874 -16.5939 -16.5939 -16.5561 -16.5561 -16.5447 -16.5447 -16.5378 -16.5378 -2.6069 -2.6069 -0.9668 -0.9668 0.1988 0.1988 6.5819 6.5819 7.1882 7.1882 8.3180 8.3180 8.4765 8.4765 8.9718 8.9718 10.0384 10.0384 10.0930 10.0930 10.3211 10.3211 10.5246 10.5246 10.5677 10.5677 11.3119 11.3119 12.6619 12.6619 13.4009 13.4009 14.1892 14.1892 14.2763 14.2763 k = 0.0000 0.0000 0.0568 ( 3941 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2932 -24.2932 -24.2874 -24.2874 -16.5935 -16.5935 -16.5564 -16.5564 -16.5446 -16.5446 -16.5379 -16.5379 -2.6019 -2.6019 -0.9809 -0.9809 0.2073 0.2073 6.5242 6.5242 7.2814 7.2814 8.3184 8.3184 8.4775 8.4775 8.9766 8.9766 10.0356 10.0356 10.0912 10.0912 10.3209 10.3209 10.5228 10.5228 10.5504 10.5504 11.2300 11.2300 12.6924 12.6924 13.4299 13.4299 14.1901 14.1901 14.2844 14.2844 k = 0.0000 0.0000 0.0682 ( 3941 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2931 -24.2931 -24.2875 -24.2875 -16.5930 -16.5930 -16.5569 -16.5569 -16.5445 -16.5445 -16.5380 -16.5380 -2.5960 -2.5960 -0.9972 -0.9972 0.2171 0.2171 6.4702 6.4702 7.3787 7.3787 8.3187 8.3187 8.4786 8.4786 8.9822 8.9822 10.0324 10.0324 10.0891 10.0891 10.3203 10.3203 10.5145 10.5145 10.5366 10.5366 11.1345 11.1345 12.7280 12.7280 13.4649 13.4649 14.1912 14.1912 14.2941 14.2941 k = 0.0000 0.0000 0.0796 ( 3929 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2929 -24.2929 -24.2876 -24.2876 -16.5924 -16.5924 -16.5575 -16.5575 -16.5443 -16.5443 -16.5380 -16.5380 -2.5892 -2.5892 -1.0154 -1.0154 0.2278 0.2278 6.4200 6.4200 7.4801 7.4801 8.3192 8.3192 8.4799 8.4799 8.9887 8.9887 10.0288 10.0288 10.0867 10.0867 10.3193 10.3193 10.4947 10.4947 10.5323 10.5323 11.0274 11.0274 12.7678 12.7678 13.5057 13.5057 14.1927 14.1927 14.3051 14.3051 k = 0.0000 0.0000 0.0909 ( 3929 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2928 -24.2928 -24.2877 -24.2877 -16.5918 -16.5918 -16.5581 -16.5581 -16.5442 -16.5442 -16.5381 -16.5381 -2.5818 -2.5818 -1.0349 -1.0349 0.2391 0.2391 6.3735 6.3735 7.5855 7.5855 8.3197 8.3197 8.4812 8.4812 8.9958 8.9958 10.0248 10.0248 10.0841 10.0841 10.3174 10.3174 10.4697 10.4697 10.5314 10.5314 10.9111 10.9111 12.8107 12.8107 13.5520 13.5520 14.1945 14.1945 14.3171 14.3171 k = 0.0000 0.0000 0.1023 ( 3937 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2928 -24.2928 -24.2878 -24.2878 -16.5913 -16.5913 -16.5587 -16.5587 -16.5442 -16.5442 -16.5382 -16.5382 -2.5739 -2.5739 -1.0553 -1.0553 0.2506 0.2506 6.3308 6.3308 7.6949 7.6949 8.3203 8.3203 8.4827 8.4827 9.0034 9.0034 10.0207 10.0207 10.0813 10.0813 10.3137 10.3137 10.4430 10.4430 10.5314 10.5314 10.7883 10.7883 12.8558 12.8558 13.6032 13.6032 14.1967 14.1967 14.3298 14.3298 k = 0.0000 0.0000 0.1137 ( 3933 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2927 -24.2927 -24.2878 -24.2878 -16.5906 -16.5906 -16.5594 -16.5594 -16.5441 -16.5441 -16.5383 -16.5383 -2.5656 -2.5656 -1.0761 -1.0761 0.2622 0.2622 6.2918 6.2918 7.8081 7.8081 8.3209 8.3209 8.4842 8.4842 9.0115 9.0115 10.0165 10.0165 10.0782 10.0782 10.3061 10.3061 10.4158 10.4158 10.5317 10.5317 10.6625 10.6625 12.9021 12.9021 13.6589 13.6589 14.1991 14.1991 14.3428 14.3428 k = 0.0000 0.0000 0.1250 ( 3941 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2926 -24.2926 -24.2880 -24.2880 -16.5899 -16.5899 -16.5602 -16.5602 -16.5439 -16.5439 -16.5385 -16.5385 -2.5572 -2.5572 -1.0966 -1.0966 0.2734 0.2734 6.2565 6.2565 7.9250 7.9250 8.3217 8.3217 8.4857 8.4857 9.0197 9.0197 10.0123 10.0123 10.0748 10.0748 10.2887 10.2887 10.3889 10.3889 10.5321 10.5321 10.5415 10.5415 12.9485 12.9485 13.7184 13.7184 14.2018 14.2018 14.3555 14.3555 k = 0.0000 0.0000 0.1364 ( 3949 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2925 -24.2925 -24.2882 -24.2882 -16.5891 -16.5891 -16.5610 -16.5610 -16.5439 -16.5439 -16.5387 -16.5387 -2.5488 -2.5488 -1.1166 -1.1166 0.2842 0.2842 6.2249 6.2249 8.0454 8.0454 8.3228 8.3228 8.4871 8.4871 9.0279 9.0279 10.0082 10.0082 10.0705 10.0705 10.2442 10.2442 10.3628 10.3628 10.4445 10.4445 10.5326 10.5326 12.9939 12.9939 13.7808 13.7808 14.2046 14.2046 14.3675 14.3675 k = 0.0000 0.0000 0.1478 ( 3949 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2925 -24.2925 -24.2882 -24.2882 -16.5885 -16.5885 -16.5616 -16.5616 -16.5438 -16.5438 -16.5388 -16.5388 -2.5406 -2.5406 -1.1356 -1.1356 0.2941 0.2941 6.1971 6.1971 8.1682 8.1682 8.3252 8.3252 8.4885 8.4885 9.0359 9.0359 10.0043 10.0043 10.0613 10.0613 10.1557 10.1557 10.3383 10.3383 10.3934 10.3934 10.5331 10.5331 13.0372 13.0372 13.8452 13.8452 14.2076 14.2076 14.3782 14.3782 k = 0.0000 0.0000 0.1591 ( 3949 PWs) bands (ev): -49.9916 -49.9916 -49.9912 -49.9912 -24.2925 -24.2925 -24.2882 -24.2882 -16.5878 -16.5878 -16.5623 -16.5623 -16.5437 -16.5437 -16.5389 -16.5389 -2.5330 -2.5330 -1.1530 -1.1530 0.3031 0.3031 6.1729 6.1729 8.2832 8.2832 8.3388 8.3388 8.4898 8.4898 9.0435 9.0435 10.0004 10.0004 10.0007 10.0007 10.0859 10.0859 10.3159 10.3159 10.3733 10.3733 10.5335 10.5335 13.0775 13.0775 13.9102 13.9102 14.2106 14.2106 14.3868 14.3868 k = 0.0000 0.0000 0.1705 ( 3949 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2925 -24.2925 -24.2882 -24.2882 -16.5872 -16.5872 -16.5628 -16.5628 -16.5438 -16.5438 -16.5389 -16.5389 -2.5260 -2.5260 -1.1685 -1.1685 0.3110 0.3110 6.1525 6.1525 8.3157 8.3157 8.4383 8.4383 8.4909 8.4909 9.0504 9.0504 9.8685 9.8685 9.9975 9.9975 10.0745 10.0745 10.2959 10.2959 10.3646 10.3646 10.5339 10.5339 13.1137 13.1137 13.9742 13.9742 14.2135 14.2135 14.3928 14.3928 k = 0.0000 0.0000 0.1819 ( 3945 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2924 -24.2924 -24.2882 -24.2882 -16.5866 -16.5866 -16.5634 -16.5634 -16.5437 -16.5437 -16.5390 -16.5390 -2.5200 -2.5200 -1.1817 -1.1817 0.3177 0.3177 6.1357 6.1357 8.3189 8.3189 8.4919 8.4919 8.5701 8.5701 9.0564 9.0564 9.7244 9.7244 9.9947 9.9947 10.0707 10.0707 10.2790 10.2790 10.3604 10.3604 10.5343 10.5343 13.1448 13.1448 14.0352 14.0352 14.2161 14.2161 14.3955 14.3955 k = 0.0000 0.0000 0.1932 ( 3945 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2924 -24.2924 -24.2883 -24.2883 -16.5860 -16.5860 -16.5639 -16.5639 -16.5436 -16.5436 -16.5391 -16.5391 -2.5151 -2.5151 -1.1924 -1.1924 0.3229 0.3229 6.1227 6.1227 8.3201 8.3201 8.4927 8.4927 8.7070 8.7070 9.0614 9.0614 9.5772 9.5772 9.9925 9.9925 10.0685 10.0685 10.2654 10.2654 10.3581 10.3581 10.5346 10.5346 13.1701 13.1701 14.0904 14.0904 14.2183 14.2183 14.3946 14.3946 k = 0.0000 0.0000 0.2046 ( 3953 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2924 -24.2924 -24.2884 -24.2884 -16.5857 -16.5857 -16.5643 -16.5643 -16.5436 -16.5436 -16.5392 -16.5392 -2.5115 -2.5115 -1.2002 -1.2002 0.3268 0.3268 6.1134 6.1134 8.3206 8.3206 8.4933 8.4933 8.8471 8.8471 9.0650 9.0650 9.4291 9.4291 9.9909 9.9909 10.0672 10.0672 10.2555 10.2555 10.3568 10.3568 10.5348 10.5348 13.1886 13.1886 14.1362 14.1362 14.2201 14.2201 14.3906 14.3907 k = 0.0000 0.0000 0.2160 ( 3946 PWs) bands (ev): -49.9915 -49.9915 -49.9913 -49.9913 -24.2923 -24.2923 -24.2884 -24.2884 -16.5854 -16.5854 -16.5646 -16.5646 -16.5435 -16.5435 -16.5392 -16.5392 -2.5092 -2.5092 -1.2049 -1.2049 0.3291 0.3291 6.1078 6.1078 8.3209 8.3209 8.4937 8.4937 8.9898 8.9898 9.0673 9.0673 9.2814 9.2814 9.9899 9.9899 10.0664 10.0664 10.2494 10.2494 10.3562 10.3562 10.5349 10.5349 13.2000 13.2000 14.1676 14.1676 14.2212 14.2212 14.3858 14.3858 k = 0.0000 0.0000 0.2273 ( 3946 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2923 -24.2923 -24.2884 -24.2884 -16.5853 -16.5853 -16.5647 -16.5647 -16.5435 -16.5435 -16.5391 -16.5391 -2.5085 -2.5085 -1.2065 -1.2065 0.3299 0.3299 6.1060 6.1060 8.3210 8.3210 8.4938 8.4938 9.0680 9.0680 9.1300 9.1300 9.1395 9.1395 9.9896 9.9896 10.0661 10.0661 10.2474 10.2474 10.3560 10.3560 10.5350 10.5350 13.2038 13.2038 14.1790 14.1790 14.2215 14.2215 14.3835 14.3835 k = 0.0000 0.0000 0.2273 ( 3946 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2923 -24.2923 -24.2884 -24.2884 -16.5853 -16.5853 -16.5647 -16.5647 -16.5435 -16.5435 -16.5391 -16.5391 -2.5085 -2.5085 -1.2065 -1.2065 0.3299 0.3299 6.1060 6.1060 8.3210 8.3210 8.4938 8.4938 9.0680 9.0680 9.1300 9.1300 9.1395 9.1395 9.9896 9.9896 10.0661 10.0661 10.2474 10.2474 10.3560 10.3560 10.5350 10.5350 13.2038 13.2038 14.1790 14.1790 14.2215 14.2215 14.3835 14.3835 k = 0.0000 0.0114 0.2273 ( 3954 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2923 -24.2923 -24.2885 -24.2885 -16.5854 -16.5854 -16.5648 -16.5648 -16.5436 -16.5436 -16.5393 -16.5393 -2.5074 -2.5074 -1.2055 -1.2055 0.3307 0.3307 6.1071 6.1071 8.3141 8.3141 8.4855 8.4855 9.0468 9.0468 9.1314 9.1314 9.1477 9.1477 9.9968 9.9968 10.0749 10.0749 10.2516 10.2516 10.3531 10.3531 10.5324 10.5324 13.2110 13.2110 14.1739 14.1739 14.2246 14.2246 14.3524 14.3524 k = 0.0000 0.0227 0.2273 ( 3954 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2924 -24.2924 -24.2886 -24.2886 -16.5854 -16.5854 -16.5648 -16.5648 -16.5439 -16.5439 -16.5396 -16.5396 -2.5041 -2.5041 -1.2025 -1.2025 0.3330 0.3330 6.1104 6.1104 8.2914 8.2914 8.4657 8.4657 8.9855 8.9855 9.1293 9.1293 9.1774 9.1774 10.0107 10.0107 10.1031 10.1031 10.2643 10.2643 10.3455 10.3455 10.5256 10.5256 13.2322 13.2322 14.1578 14.1578 14.2321 14.2321 14.3038 14.3038 k = 0.0000 0.0341 0.2273 ( 3934 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2924 -24.2924 -24.2886 -24.2886 -16.5854 -16.5854 -16.5649 -16.5649 -16.5443 -16.5443 -16.5401 -16.5401 -2.4987 -2.4987 -1.1975 -1.1975 0.3369 0.3369 6.1160 6.1160 8.2488 8.2488 8.4447 8.4447 8.8930 8.8930 9.1255 9.1255 9.2213 9.2213 10.0227 10.0227 10.1446 10.1446 10.2852 10.2852 10.3362 10.3362 10.5181 10.5181 13.2667 13.2667 14.1288 14.1288 14.2273 14.2273 14.2736 14.2736 k = 0.0000 0.0455 0.2273 ( 3942 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2926 -24.2926 -24.2888 -24.2888 -16.5856 -16.5856 -16.5651 -16.5651 -16.5451 -16.5451 -16.5407 -16.5407 -2.4912 -2.4912 -1.1905 -1.1905 0.3424 0.3424 6.1237 6.1237 8.1863 8.1863 8.4286 8.4286 8.7785 8.7785 9.1201 9.1201 9.2722 9.2722 10.0323 10.0323 10.1782 10.1782 10.3144 10.3144 10.3316 10.3316 10.5180 10.5180 13.3132 13.3132 14.0855 14.0855 14.1896 14.1896 14.2847 14.2847 k = 0.0000 0.0568 0.2273 ( 3938 PWs) bands (ev): -49.9914 -49.9914 -49.9912 -49.9912 -24.2928 -24.2928 -24.2889 -24.2889 -16.5858 -16.5858 -16.5654 -16.5654 -16.5459 -16.5459 -16.5415 -16.5415 -2.4815 -2.4815 -1.1816 -1.1816 0.3494 0.3494 6.1336 6.1336 8.1089 8.1089 8.4170 8.4170 8.6493 8.6493 9.1125 9.1125 9.3256 9.3256 10.0402 10.0402 10.1845 10.1845 10.3316 10.3316 10.3520 10.3520 10.5395 10.5395 13.3701 13.3701 14.0304 14.0304 14.1456 14.1456 14.3051 14.3051 k = 0.0000 0.0682 0.2273 ( 3930 PWs) bands (ev): -49.9914 -49.9914 -49.9911 -49.9911 -24.2930 -24.2930 -24.2892 -24.2892 -16.5860 -16.5860 -16.5657 -16.5657 -16.5469 -16.5469 -16.5425 -16.5425 -2.4697 -2.4697 -1.1708 -1.1708 0.3580 0.3580 6.1455 6.1455 8.0217 8.0217 8.4061 8.4061 8.5118 8.5118 9.1020 9.1020 9.3784 9.3784 10.0447 10.0447 10.1686 10.1686 10.3227 10.3227 10.3973 10.3973 10.5912 10.5912 13.4356 13.4356 13.9674 13.9674 14.0994 14.0994 14.3209 14.3209 k = 0.0000 0.0795 0.2273 ( 3924 PWs) bands (ev): -49.9913 -49.9913 -49.9910 -49.9910 -24.2932 -24.2932 -24.2894 -24.2894 -16.5863 -16.5863 -16.5663 -16.5663 -16.5480 -16.5480 -16.5434 -16.5434 -2.4558 -2.4558 -1.1582 -1.1582 0.3683 0.3683 6.1594 6.1594 7.9283 7.9283 8.3478 8.3478 8.4156 8.4156 9.0877 9.0877 9.4289 9.4289 10.0410 10.0410 10.1465 10.1465 10.3027 10.3027 10.4494 10.4494 10.6648 10.6648 13.5075 13.5075 13.8997 13.8997 14.0507 14.0507 14.3237 14.3237 k = 0.0000 0.0909 0.2273 ( 3926 PWs) bands (ev): -49.9913 -49.9913 -49.9910 -49.9910 -24.2936 -24.2936 -24.2898 -24.2898 -16.5868 -16.5868 -16.5671 -16.5671 -16.5491 -16.5491 -16.5445 -16.5445 -2.4398 -2.4398 -1.1439 -1.1439 0.3802 0.3802 6.1752 6.1752 7.8313 7.8313 8.2008 8.2008 8.4033 8.4033 9.0685 9.0685 9.4761 9.4761 10.0232 10.0232 10.1285 10.1285 10.2796 10.2796 10.5074 10.5074 10.7494 10.7494 13.5829 13.5829 13.8293 13.8293 14.0007 14.0007 14.3135 14.3135 k = 0.0000 0.1023 0.2273 ( 3924 PWs) bands (ev): -49.9912 -49.9912 -49.9909 -49.9909 -24.2939 -24.2939 -24.2902 -24.2902 -16.5874 -16.5874 -16.5681 -16.5681 -16.5504 -16.5504 -16.5455 -16.5455 -2.4218 -2.4218 -1.1279 -1.1279 0.3937 0.3937 6.1926 6.1926 7.7321 7.7321 8.0442 8.0442 8.3972 8.3972 9.0434 9.0434 9.5194 9.5194 9.9928 9.9928 10.1114 10.1114 10.2632 10.2632 10.5701 10.5701 10.8390 10.8390 13.6536 13.6536 13.7624 13.7624 13.9523 13.9523 14.2957 14.2957 k = 0.0000 0.1136 0.2273 ( 3928 PWs) bands (ev): -49.9911 -49.9911 -49.9908 -49.9908 -24.2943 -24.2943 -24.2906 -24.2906 -16.5882 -16.5882 -16.5695 -16.5695 -16.5516 -16.5516 -16.5465 -16.5465 -2.4018 -2.4018 -1.1105 -1.1105 0.4089 0.4089 6.2114 6.2114 7.6319 7.6319 7.8842 7.8842 8.3919 8.3919 9.0111 9.0111 9.5587 9.5587 9.9573 9.9573 10.0851 10.0851 10.2613 10.2613 10.6365 10.6365 10.9306 10.9306 13.6551 13.6551 13.7574 13.7574 13.9127 13.9127 14.2744 14.2744 k = 0.0000 0.1250 0.2273 ( 3932 PWs) bands (ev): -49.9910 -49.9910 -49.9908 -49.9908 -24.2948 -24.2948 -24.2911 -24.2911 -16.5893 -16.5893 -16.5712 -16.5712 -16.5527 -16.5527 -16.5473 -16.5473 -2.3798 -2.3798 -1.0917 -1.0917 0.4259 0.4259 6.2312 6.2312 7.5315 7.5315 7.7225 7.7225 8.3868 8.3868 8.9707 8.9707 9.5940 9.5940 9.9223 9.9223 10.0476 10.0476 10.2739 10.2739 10.7054 10.7054 11.0231 11.0231 13.5855 13.5855 13.7894 13.7894 13.9095 13.9095 14.2514 14.2514 k = 0.0000 0.1364 0.2273 ( 3932 PWs) bands (ev): -49.9909 -49.9909 -49.9907 -49.9907 -24.2953 -24.2953 -24.2916 -24.2916 -16.5906 -16.5906 -16.5732 -16.5732 -16.5538 -16.5538 -16.5479 -16.5479 -2.3559 -2.3559 -1.0716 -1.0716 0.4446 0.4446 6.2514 6.2514 7.4316 7.4316 7.5606 7.5606 8.3818 8.3818 8.9215 8.9215 9.6252 9.6252 9.8907 9.8907 10.0027 10.0027 10.2968 10.2968 10.7753 10.7753 11.1159 11.1159 13.5093 13.5093 13.7709 13.7709 13.9668 13.9668 14.2278 14.2278 k = 0.0000 0.1477 0.2273 ( 3940 PWs) bands (ev): -49.9908 -49.9908 -49.9906 -49.9906 -24.2958 -24.2958 -24.2922 -24.2922 -16.5922 -16.5922 -16.5756 -16.5756 -16.5547 -16.5547 -16.5484 -16.5484 -2.3301 -2.3301 -1.0505 -1.0505 0.4651 0.4651 6.2710 6.2710 7.3326 7.3326 7.4002 7.4002 8.3768 8.3768 8.8634 8.8634 9.6519 9.6519 9.8632 9.8632 9.9552 9.9552 10.3266 10.3266 10.8452 10.8452 11.2087 11.2087 13.4337 13.4337 13.7356 13.7356 14.0442 14.0442 14.2045 14.2045 k = 0.0000 0.1591 0.2273 ( 3938 PWs) bands (ev): -49.9907 -49.9907 -49.9905 -49.9905 -24.2963 -24.2963 -24.2928 -24.2928 -16.5940 -16.5940 -16.5783 -16.5783 -16.5555 -16.5555 -16.5486 -16.5486 -2.3025 -2.3025 -1.0285 -1.0285 0.4876 0.4876 6.2881 6.2881 7.2324 7.2324 7.2461 7.2461 8.3716 8.3716 8.7966 8.7966 9.6736 9.6736 9.8374 9.8374 9.9107 9.9107 10.3616 10.3616 10.9136 10.9136 11.3014 11.3014 13.3613 13.3613 13.6991 13.6991 14.1215 14.1215 14.1850 14.1850 k = 0.0000 0.1705 0.2273 ( 3926 PWs) bands (ev): -49.9906 -49.9906 -49.9904 -49.9904 -24.2968 -24.2968 -24.2933 -24.2933 -16.5961 -16.5961 -16.5812 -16.5812 -16.5560 -16.5560 -16.5488 -16.5488 -2.2731 -2.2731 -1.0058 -1.0058 0.5120 0.5120 6.2996 6.2996 7.0918 7.0918 7.1415 7.1415 8.3664 8.3664 8.7220 8.7220 9.6881 9.6881 9.8069 9.8069 9.8788 9.8788 10.4008 10.4008 10.9794 10.9794 11.3942 11.3942 13.2939 13.2939 13.6646 13.6646 14.1473 14.1473 14.2167 14.2167 k = 0.0000 0.1818 0.2273 ( 3934 PWs) bands (ev): -49.9905 -49.9905 -49.9903 -49.9903 -24.2974 -24.2974 -24.2940 -24.2940 -16.5986 -16.5986 -16.5845 -16.5845 -16.5564 -16.5564 -16.5488 -16.5488 -2.2419 -2.2419 -0.9826 -0.9826 0.5385 0.5385 6.2993 6.2993 6.9557 6.9557 7.0484 7.0484 8.3611 8.3611 8.6407 8.6407 9.6885 9.6885 9.7741 9.7741 9.8643 9.8643 10.4437 10.4437 11.0413 11.0413 11.4872 11.4872 13.2332 13.2332 13.6330 13.6330 14.1281 14.1281 14.2922 14.2922 k = 0.0000 0.1932 0.2273 ( 3936 PWs) bands (ev): -49.9904 -49.9904 -49.9901 -49.9901 -24.2980 -24.2980 -24.2946 -24.2946 -16.6013 -16.6013 -16.5879 -16.5879 -16.5566 -16.5566 -16.5487 -16.5487 -2.2091 -2.2091 -0.9592 -0.9592 0.5672 0.5672 6.2766 6.2766 6.8436 6.8436 6.9585 6.9585 8.3558 8.3558 8.5537 8.5537 9.6616 9.6616 9.7570 9.7570 9.8618 9.8618 10.4900 10.4900 11.0981 11.0981 11.5805 11.5805 13.1808 13.1808 13.6047 13.6047 14.1071 14.1071 14.3678 14.3678 k = 0.0000 0.2045 0.2273 ( 3944 PWs) bands (ev): -49.9903 -49.9903 -49.9900 -49.9900 -24.2986 -24.2986 -24.2954 -24.2954 -16.6042 -16.6042 -16.5917 -16.5917 -16.5566 -16.5566 -16.5485 -16.5485 -2.1747 -2.1747 -0.9358 -0.9358 0.5981 0.5981 6.2188 6.2188 6.7680 6.7680 6.8725 6.8725 8.3505 8.3505 8.4622 8.4622 9.6134 9.6134 9.7540 9.7540 9.8666 9.8666 10.5394 10.5394 11.1485 11.1485 11.6741 11.6741 13.1383 13.1383 13.5796 13.5796 14.0870 14.0870 14.4404 14.4404 k = 0.0000 0.2159 0.2273 ( 3948 PWs) bands (ev): -49.9901 -49.9901 -49.9899 -49.9899 -24.2993 -24.2993 -24.2961 -24.2961 -16.6073 -16.6073 -16.5955 -16.5955 -16.5566 -16.5566 -16.5482 -16.5482 -2.1388 -2.1388 -0.9127 -0.9127 0.6315 0.6315 6.1222 6.1222 6.7294 6.7294 6.7939 6.7939 8.3444 8.3444 8.3680 8.3680 9.5576 9.5576 9.7528 9.7528 9.8764 9.8764 10.5918 10.5918 11.1917 11.1917 11.7683 11.7683 13.1068 13.1068 13.5579 13.5579 14.0688 14.0688 14.5093 14.5093 k = 0.0000 0.2273 0.2273 ( 3944 PWs) bands (ev): -49.9900 -49.9900 -49.9898 -49.9898 -24.2998 -24.2998 -24.2968 -24.2968 -16.6106 -16.6106 -16.5993 -16.5993 -16.5563 -16.5563 -16.5479 -16.5479 -2.1014 -2.1014 -0.8901 -0.8901 0.6673 0.6673 5.9966 5.9966 6.6895 6.6895 6.7521 6.7521 8.2689 8.2689 8.3408 8.3408 9.4994 9.4994 9.7488 9.7488 9.8901 9.8901 10.6471 10.6471 11.2268 11.2268 11.8630 11.8630 13.0872 13.0872 13.5395 13.5395 14.0531 14.0531 14.5742 14.5742 k = 0.0000 0.2386 0.2273 ( 3932 PWs) bands (ev): -49.9899 -49.9899 -49.9897 -49.9897 -24.3004 -24.3004 -24.2974 -24.2974 -16.6139 -16.6139 -16.6032 -16.6032 -16.5559 -16.5559 -16.5475 -16.5475 -2.0626 -2.0626 -0.8683 -0.8683 0.7059 0.7059 5.8540 5.8540 6.6202 6.6202 6.7631 6.7631 8.1699 8.1699 8.3357 8.3357 9.4403 9.4403 9.7404 9.7404 9.9071 9.9071 10.7053 10.7053 11.2535 11.2535 11.9583 11.9583 13.0800 13.0800 13.5243 13.5243 14.0405 14.0405 14.6348 14.6348 k = 0.0000 0.2500 0.2273 ( 3918 PWs) bands (ev): -49.9897 -49.9897 -49.9895 -49.9895 -24.3009 -24.3009 -24.2981 -24.2981 -16.6173 -16.6173 -16.6072 -16.6072 -16.5554 -16.5554 -16.5470 -16.5470 -2.0225 -2.0225 -0.8476 -0.8476 0.7472 0.7472 5.7025 5.7025 6.5490 6.5490 6.7918 6.7918 8.0697 8.0697 8.3311 8.3311 9.3813 9.3813 9.7266 9.7266 9.9269 9.9269 10.7661 10.7661 11.2717 11.2717 12.0542 12.0542 13.0850 13.0850 13.5122 13.5122 14.0316 14.0316 14.6912 14.6912 k = 0.0000 0.2614 0.2273 ( 3922 PWs) bands (ev): -49.9896 -49.9896 -49.9894 -49.9894 -24.3015 -24.3015 -24.2988 -24.2988 -16.6208 -16.6208 -16.6113 -16.6113 -16.5549 -16.5549 -16.5467 -16.5467 -1.9811 -1.9811 -0.8284 -0.8284 0.7915 0.7915 5.5465 5.5465 6.4808 6.4808 6.8291 6.8291 7.9693 7.9693 8.3268 8.3268 9.3229 9.3229 9.7068 9.7068 9.9492 9.9492 10.8295 10.8295 11.2819 11.2819 12.1507 12.1507 13.1015 13.1015 13.5031 13.5031 14.0273 14.0273 14.7436 14.7436 k = 0.0000 0.2727 0.2273 ( 3918 PWs) bands (ev): -49.9895 -49.9895 -49.9893 -49.9893 -24.3021 -24.3021 -24.2995 -24.2995 -16.6244 -16.6244 -16.6153 -16.6153 -16.5543 -16.5543 -16.5462 -16.5462 -1.9387 -1.9387 -0.8108 -0.8108 0.8389 0.8389 5.3883 5.3883 6.4167 6.4167 6.8717 6.8717 7.8694 7.8694 8.3229 8.3229 9.2652 9.2652 9.6809 9.6809 9.9738 9.9738 10.8952 10.8952 11.2850 11.2850 12.2477 12.2477 13.1281 13.1281 13.4968 13.4968 14.0284 14.0284 14.7924 14.7924 k = 0.0000 0.2841 0.2273 ( 3918 PWs) bands (ev): -49.9894 -49.9894 -49.9892 -49.9892 -24.3027 -24.3027 -24.3002 -24.3002 -16.6279 -16.6279 -16.6193 -16.6193 -16.5537 -16.5537 -16.5458 -16.5458 -1.8952 -1.8952 -0.7952 -0.7952 0.8895 0.8895 5.2294 5.2294 6.3570 6.3570 6.9178 6.9178 7.7707 7.7707 8.3195 8.3195 9.2085 9.2085 9.6487 9.6487 10.0002 10.0002 10.9629 10.9629 11.2822 11.2822 12.3450 12.3450 13.1629 13.1629 13.4931 13.4931 14.0356 14.0356 14.8381 14.8381 k = 0.0000 0.2955 0.2273 ( 3936 PWs) bands (ev): -49.9893 -49.9893 -49.9891 -49.9891 -24.3034 -24.3034 -24.3011 -24.3011 -16.6316 -16.6316 -16.6234 -16.6234 -16.5531 -16.5531 -16.5454 -16.5454 -1.8507 -1.8507 -0.7818 -0.7818 0.9434 0.9434 5.0707 5.0707 6.3021 6.3021 6.9659 6.9659 7.6743 7.6743 8.3166 8.3166 9.1530 9.1530 9.6103 9.6103 10.0284 10.0284 11.0317 11.0317 11.2753 11.2753 12.4426 12.4426 13.2036 13.2036 13.4919 13.4919 14.0499 14.0499 14.8810 14.8810 k = 0.0000 0.3068 0.2273 ( 3936 PWs) bands (ev): -49.9891 -49.9891 -49.9890 -49.9890 -24.3040 -24.3040 -24.3018 -24.3018 -16.6350 -16.6350 -16.6273 -16.6273 -16.5524 -16.5524 -16.5450 -16.5450 -1.8055 -1.8055 -0.7709 -0.7709 1.0008 1.0008 4.9126 4.9126 6.2521 6.2521 7.0143 7.0143 7.5817 7.5817 8.3144 8.3144 9.0989 9.0989 9.5659 9.5659 10.0581 10.0581 11.0992 11.0992 11.2676 11.2676 12.5400 12.5400 13.2476 13.2476 13.4931 13.4931 14.0723 14.0723 14.9214 14.9214 k = 0.0000 0.3182 0.2273 ( 3936 PWs) bands (ev): -49.9890 -49.9890 -49.9888 -49.9888 -24.3046 -24.3046 -24.3024 -24.3024 -16.6384 -16.6384 -16.6311 -16.6311 -16.5517 -16.5517 -16.5446 -16.5446 -1.7595 -1.7595 -0.7625 -0.7625 1.0618 1.0618 4.7556 4.7556 6.2071 6.2071 7.0598 7.0598 7.4959 7.4959 8.3129 8.3129 9.0463 9.0463 9.5157 9.5157 10.0892 10.0892 11.1557 11.1557 11.2696 11.2696 12.6371 12.6371 13.2918 13.2918 13.4969 13.4969 14.1036 14.1036 14.9578 14.9578 k = 0.0000 0.3295 0.2273 ( 3936 PWs) bands (ev): -49.9889 -49.9889 -49.9887 -49.9887 -24.3051 -24.3051 -24.3031 -24.3031 -16.6417 -16.6417 -16.6348 -16.6348 -16.5509 -16.5509 -16.5442 -16.5442 -1.7129 -1.7129 -0.7570 -0.7570 1.1263 1.1263 4.5999 4.5999 6.1674 6.1674 7.0954 7.0954 7.4242 7.4242 8.3122 8.3122 8.9952 8.9952 9.4602 9.4602 10.1215 10.1215 11.1769 11.1769 11.3062 11.3062 12.7334 12.7334 13.3327 13.3327 13.5042 13.5042 14.1443 14.1443 14.9714 14.9714 k = 0.0000 0.3409 0.2273 ( 3936 PWs) bands (ev): -49.9888 -49.9888 -49.9886 -49.9886 -24.3056 -24.3056 -24.3037 -24.3037 -16.6448 -16.6448 -16.6384 -16.6384 -16.5502 -16.5502 -16.5438 -16.5438 -1.6658 -1.6658 -0.7545 -0.7545 1.1945 1.1945 4.4459 4.4459 6.1331 6.1331 7.1057 7.1057 7.3819 7.3819 8.3125 8.3125 8.9458 8.9458 9.3998 9.3998 10.1549 10.1549 11.1669 11.1669 11.3737 11.3737 12.8285 12.8285 13.3660 13.3660 13.5163 13.5163 14.1947 14.1947 14.9204 14.9204 k = 0.0000 0.3523 0.2273 ( 3932 PWs) bands (ev): -49.9887 -49.9887 -49.9885 -49.9885 -24.3061 -24.3061 -24.3043 -24.3043 -16.6478 -16.6478 -16.6418 -16.6418 -16.5495 -16.5495 -16.5435 -16.5435 -1.6183 -1.6183 -0.7549 -0.7549 1.2664 1.2664 4.2936 4.2936 6.1042 6.1042 7.0758 7.0758 7.3840 7.3840 8.3137 8.3137 8.8982 8.8982 9.3350 9.3350 10.1893 10.1893 11.1458 11.1458 11.4524 11.4524 12.9218 12.9218 13.3881 13.3881 13.5348 13.5348 14.2539 14.2539 14.8549 14.8549 k = 0.0000 0.3636 0.2273 ( 3940 PWs) bands (ev): -49.9886 -49.9886 -49.9885 -49.9885 -24.3066 -24.3066 -24.3049 -24.3049 -16.6507 -16.6507 -16.6452 -16.6452 -16.5488 -16.5488 -16.5432 -16.5432 -1.5706 -1.5706 -0.7586 -0.7586 1.3420 1.3420 4.1433 4.1433 6.0808 6.0808 7.0158 7.0158 7.4207 7.4207 8.3159 8.3159 8.8523 8.8523 9.2664 9.2664 10.2246 10.2246 11.1200 11.1200 11.5361 11.5361 13.0125 13.0125 13.3972 13.3972 13.5595 13.5595 14.3203 14.3203 14.7935 14.7935 k = 0.0000 0.3750 0.2273 ( 3938 PWs) bands (ev): -49.9885 -49.9885 -49.9884 -49.9884 -24.3071 -24.3071 -24.3054 -24.3054 -16.6534 -16.6534 -16.6482 -16.6482 -16.5482 -16.5482 -16.5429 -16.5429 -1.5227 -1.5227 -0.7654 -0.7654 1.4213 1.4213 3.9950 3.9950 6.0630 6.0630 6.9432 6.9432 7.4744 7.4744 8.3194 8.3194 8.8083 8.8083 9.1944 9.1944 10.2608 10.2608 11.0913 11.0913 11.6231 11.6231 13.0993 13.0993 13.3948 13.3948 13.5876 13.5876 14.3897 14.3897 14.7429 14.7429 k = 0.0000 0.3864 0.2273 ( 3932 PWs) bands (ev): -49.9884 -49.9884 -49.9883 -49.9883 -24.3075 -24.3075 -24.3058 -24.3058 -16.6558 -16.6558 -16.6510 -16.6510 -16.5475 -16.5475 -16.5426 -16.5426 -1.4749 -1.4749 -0.7753 -0.7753 1.5043 1.5043 3.8489 3.8489 6.0509 6.0509 6.8666 6.8666 7.5366 7.5366 8.3240 8.3240 8.7662 8.7662 9.1196 9.1196 10.2976 10.2976 11.0606 11.0606 11.7125 11.7125 13.1798 13.1798 13.3838 13.3838 13.6166 13.6166 14.4533 14.4533 14.7132 14.7132 k = 0.0000 0.3977 0.2273 ( 3920 PWs) bands (ev): -49.9883 -49.9883 -49.9882 -49.9882 -24.3078 -24.3078 -24.3063 -24.3063 -16.6580 -16.6580 -16.6537 -16.6537 -16.5468 -16.5468 -16.5423 -16.5423 -1.4273 -1.4273 -0.7885 -0.7885 1.5910 1.5910 3.7051 3.7051 6.0443 6.0443 6.7898 6.7898 7.6038 7.6038 8.3300 8.3300 8.7260 8.7260 9.0424 9.0424 10.3352 10.3352 11.0281 11.0281 11.8041 11.8041 13.2453 13.2453 13.3726 13.3726 13.6446 13.6446 14.4943 14.4943 14.7215 14.7215 k = 0.0000 0.4091 0.2273 ( 3918 PWs) bands (ev): -49.9882 -49.9882 -49.9881 -49.9881 -24.3080 -24.3080 -24.3067 -24.3067 -16.6600 -16.6600 -16.6562 -16.6562 -16.5462 -16.5462 -16.5421 -16.5421 -1.3800 -1.3800 -0.8047 -0.8047 1.6813 1.6813 3.5636 3.5636 6.0434 6.0434 6.7144 6.7144 7.6742 7.6742 8.3373 8.3373 8.6878 8.6878 8.9633 8.9633 10.3733 10.3733 10.9942 10.9942 11.8976 11.8976 13.2654 13.2654 13.3909 13.3909 13.6705 13.6705 14.5057 14.5057 14.7744 14.7744 k = 0.0000 0.4205 0.2273 ( 3922 PWs) bands (ev): -49.9881 -49.9881 -49.9881 -49.9881 -24.3083 -24.3083 -24.3072 -24.3072 -16.6618 -16.6618 -16.6584 -16.6584 -16.5456 -16.5456 -16.5420 -16.5420 -1.3332 -1.3332 -0.8239 -0.8239 1.7751 1.7751 3.4246 3.4246 6.0481 6.0481 6.6415 6.6415 7.7472 7.7472 8.3461 8.3461 8.6515 8.6515 8.8826 8.8826 10.4119 10.4119 10.9590 10.9590 11.9927 11.9927 13.2339 13.2339 13.4443 13.4443 13.6938 13.6938 14.5048 14.5048 14.8536 14.8536 k = 0.0000 0.4318 0.2273 ( 3918 PWs) bands (ev): -49.9881 -49.9881 -49.9880 -49.9880 -24.3085 -24.3085 -24.3075 -24.3075 -16.6633 -16.6633 -16.6604 -16.6604 -16.5450 -16.5450 -16.5420 -16.5420 -1.2870 -1.2870 -0.8461 -0.8461 1.8724 1.8724 3.2881 3.2881 6.0583 6.0583 6.5714 6.5714 7.8222 7.8222 8.3564 8.3564 8.6172 8.6172 8.8008 8.8008 10.4510 10.4510 10.9228 10.9228 12.0892 12.0892 13.1798 13.1798 13.5037 13.5037 13.7138 13.7138 14.5058 14.5058 14.9429 14.9429 k = 0.0000 0.4432 0.2273 ( 3908 PWs) bands (ev): -49.9880 -49.9880 -49.9880 -49.9880 -24.3086 -24.3086 -24.3078 -24.3078 -16.6645 -16.6645 -16.6621 -16.6621 -16.5445 -16.5445 -16.5419 -16.5419 -1.2417 -1.2417 -0.8711 -0.8711 1.9731 1.9731 3.1541 3.1541 6.0740 6.0740 6.5047 6.5047 7.8989 7.8989 8.3683 8.3683 8.5848 8.5848 8.7182 8.7182 10.4904 10.4904 10.8856 10.8856 12.1868 12.1868 13.1131 13.1131 13.5596 13.5596 13.7301 13.7301 14.5141 14.5141 14.9383 14.9383 k = 0.0000 0.4545 0.2273 ( 3904 PWs) bands (ev): -49.9880 -49.9880 -49.9879 -49.9879 -24.3087 -24.3087 -24.3081 -24.3081 -16.6654 -16.6654 -16.6635 -16.6635 -16.5440 -16.5440 -16.5420 -16.5420 -1.1973 -1.1973 -0.8988 -0.8988 2.0772 2.0772 3.0229 3.0229 6.0951 6.0951 6.4417 6.4417 7.9771 7.9771 8.3818 8.3818 8.5543 8.5543 8.6353 8.6353 10.5302 10.5302 10.8476 10.8476 12.2852 12.2852 13.0372 13.0372 13.6092 13.6092 13.7420 13.7420 14.5308 14.5308 14.8801 14.8801 k = 0.0000 0.4659 0.2273 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3083 -24.3083 -16.6662 -16.6662 -16.6647 -16.6647 -16.5436 -16.5436 -16.5420 -16.5420 -1.1541 -1.1541 -0.9289 -0.9289 2.1846 2.1846 2.8944 2.8944 6.1214 6.1214 6.3825 6.3825 8.0565 8.0565 8.3970 8.3970 8.5247 8.5247 8.5531 8.5531 10.5701 10.5701 10.8090 10.8090 12.3840 12.3840 12.9543 12.9543 13.6517 13.6517 13.7488 13.7488 14.5556 14.5556 14.8234 14.8234 k = 0.0000 0.4773 0.2273 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3085 -24.3085 -16.6666 -16.6666 -16.6656 -16.6656 -16.5432 -16.5432 -16.5421 -16.5421 -1.1122 -1.1122 -0.9615 -0.9615 2.2953 2.2953 2.7686 2.7686 6.1529 6.1529 6.3275 6.3275 8.1371 8.1371 8.4137 8.4137 8.4664 8.4664 8.5018 8.5018 10.6102 10.6102 10.7698 10.7698 12.4828 12.4828 12.8659 12.8659 13.6865 13.6865 13.7500 13.7500 14.5876 14.5876 14.7689 14.7689 k = 0.0000 0.4886 0.2273 ( 3894 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3086 -24.3086 -16.6668 -16.6668 -16.6663 -16.6663 -16.5428 -16.5428 -16.5423 -16.5423 -1.0718 -1.0718 -0.9963 -0.9963 2.4090 2.4090 2.6458 2.6458 6.1894 6.1894 6.2769 6.2769 8.2186 8.2186 8.3832 8.3832 8.4334 8.4334 8.4765 8.4765 10.6503 10.6503 10.7302 10.7302 12.5811 12.5811 12.7735 12.7735 13.7135 13.7135 13.7448 13.7448 14.6258 14.6258 14.7174 14.7174 k = 0.0000 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0331 -1.0331 -1.0331 -1.0331 2.5259 2.5259 2.5259 2.5259 6.2308 6.2308 6.2308 6.2308 8.3008 8.3008 8.3008 8.3008 8.4538 8.4538 8.4538 8.4538 10.6904 10.6904 10.6904 10.6904 12.6783 12.6783 12.6783 12.6783 13.7328 13.7328 13.7328 13.7328 14.6694 14.6694 14.6694 14.6694 k = 0.0000 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0331 -1.0331 -1.0331 -1.0331 2.5259 2.5259 2.5259 2.5259 6.2308 6.2308 6.2308 6.2308 8.3008 8.3008 8.3008 8.3008 8.4538 8.4538 8.4538 8.4538 10.6904 10.6904 10.6904 10.6904 12.6783 12.6783 12.6783 12.6783 13.7328 13.7328 13.7328 13.7328 14.6694 14.6694 14.6694 14.6694 k = 0.0114 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3087 -24.3087 -16.6667 -16.6667 -16.6667 -16.6667 -16.5427 -16.5427 -16.5426 -16.5426 -1.0331 -1.0331 -1.0329 -1.0329 2.5263 2.5263 2.5284 2.5284 6.2284 6.2284 6.2342 6.2342 8.2925 8.2925 8.2992 8.2992 8.4562 8.4562 8.4607 8.4607 10.6878 10.6878 10.6883 10.6883 12.6503 12.6503 12.6664 12.6664 13.7348 13.7348 13.7616 13.7616 14.6582 14.6582 14.6704 14.6704 k = 0.0227 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6666 -16.6666 -16.6666 -16.6666 -16.5431 -16.5431 -16.5429 -16.5429 -1.0328 -1.0328 -1.0325 -1.0325 2.5296 2.5296 2.5337 2.5337 6.2270 6.2270 6.2386 6.2386 8.2766 8.2766 8.2885 8.2885 8.4670 8.4670 8.4745 8.4745 10.6805 10.6805 10.6817 10.6817 12.5880 12.5880 12.6159 12.6159 13.7666 13.7666 13.8149 13.8149 14.6387 14.6387 14.6618 14.6618 k = 0.0341 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9878 -49.9878 -49.9878 -49.9878 -24.3090 -24.3090 -24.3089 -24.3089 -16.6666 -16.6666 -16.6666 -16.6666 -16.5437 -16.5437 -16.5435 -16.5435 -1.0323 -1.0323 -1.0318 -1.0318 2.5357 2.5357 2.5419 2.5419 6.2266 6.2266 6.2439 6.2439 8.2562 8.2562 8.2718 8.2718 8.4834 8.4834 8.4922 8.4922 10.6683 10.6683 10.6705 10.6705 12.4999 12.4999 12.5338 12.5338 13.8211 13.8211 13.8822 13.8822 14.6151 14.6151 14.6463 14.6463 k = 0.0455 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9878 -49.9878 -49.9878 -49.9878 -24.3091 -24.3091 -24.3091 -24.3091 -16.6665 -16.6665 -16.6665 -16.6665 -16.5445 -16.5445 -16.5442 -16.5442 -1.0316 -1.0316 -1.0309 -1.0309 2.5446 2.5446 2.5529 2.5529 6.2270 6.2270 6.2500 6.2500 8.2337 8.2337 8.2519 8.2519 8.5025 8.5025 8.5117 8.5117 10.6512 10.6512 10.6548 10.6548 12.3938 12.3938 12.4289 12.4289 13.8888 13.8888 13.9530 13.9530 14.5937 14.5937 14.6276 14.6276 k = 0.0568 0.5000 0.2273 ( 3908 PWs) bands (ev): -49.9878 -49.9878 -49.9878 -49.9878 -24.3094 -24.3094 -24.3093 -24.3093 -16.6664 -16.6664 -16.6664 -16.6664 -16.5455 -16.5455 -16.5451 -16.5451 -1.0306 -1.0306 -1.0298 -1.0298 2.5565 2.5565 2.5668 2.5668 6.2283 6.2283 6.2569 6.2569 8.2103 8.2103 8.2305 8.2305 8.5225 8.5225 8.5316 8.5316 10.6290 10.6290 10.6346 10.6346 12.2755 12.2755 12.3082 12.3082 13.9609 13.9609 14.0167 14.0167 14.5828 14.5828 14.6109 14.6109 k = 0.0682 0.5000 0.2273 ( 3908 PWs) bands (ev): -49.9877 -49.9877 -49.9877 -49.9877 -24.3096 -24.3096 -24.3095 -24.3095 -16.6663 -16.6663 -16.6663 -16.6663 -16.5466 -16.5466 -16.5462 -16.5462 -1.0294 -1.0294 -1.0284 -1.0284 2.5711 2.5711 2.5834 2.5834 6.2302 6.2302 6.2642 6.2642 8.1870 8.1870 8.2090 8.2090 8.5425 8.5425 8.5510 8.5510 10.6015 10.6015 10.6099 10.6099 12.1492 12.1492 12.1771 12.1771 14.0297 14.0297 14.0633 14.0633 14.5915 14.5915 14.6018 14.6018 k = 0.0795 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9877 -49.9877 -49.9877 -49.9877 -24.3098 -24.3098 -24.3097 -24.3097 -16.6662 -16.6662 -16.6661 -16.6661 -16.5480 -16.5480 -16.5475 -16.5475 -1.0280 -1.0280 -1.0268 -1.0268 2.5886 2.5886 2.6029 2.6029 6.2325 6.2325 6.2719 6.2719 8.1646 8.1646 8.1881 8.1881 8.5617 8.5617 8.5695 8.5695 10.5684 10.5684 10.5804 10.5804 12.0179 12.0179 12.0393 12.0393 14.0870 14.0870 14.0878 14.0878 14.6067 14.6067 14.6253 14.6253 k = 0.0909 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9876 -49.9876 -49.9876 -49.9876 -24.3101 -24.3101 -24.3100 -24.3100 -16.6660 -16.6660 -16.6660 -16.6660 -16.5495 -16.5495 -16.5489 -16.5489 -1.0264 -1.0264 -1.0251 -1.0251 2.6090 2.6090 2.6252 2.6252 6.2352 6.2352 6.2797 6.2797 8.1435 8.1435 8.1684 8.1684 8.5797 8.5797 8.5866 8.5866 10.5294 10.5294 10.5463 10.5463 11.8841 11.8841 11.8975 11.8975 14.0897 14.0897 14.1294 14.1294 14.6306 14.6306 14.6825 14.6825 k = 0.1023 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9875 -49.9875 -49.9875 -49.9875 -24.3105 -24.3105 -24.3103 -24.3103 -16.6659 -16.6659 -16.6658 -16.6658 -16.5512 -16.5512 -16.5506 -16.5506 -1.0245 -1.0245 -1.0231 -1.0231 2.6322 2.6322 2.6503 2.6503 6.2380 6.2380 6.2874 6.2874 8.1243 8.1243 8.1504 8.1504 8.5961 8.5961 8.6021 8.6021 10.4843 10.4843 10.5071 10.5071 11.7497 11.7497 11.7539 11.7539 14.0786 14.0786 14.1532 14.1532 14.6748 14.6748 14.7558 14.7558 k = 0.1136 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9875 -49.9875 -49.9875 -49.9875 -24.3109 -24.3109 -24.3107 -24.3107 -16.6658 -16.6658 -16.6657 -16.6657 -16.5530 -16.5530 -16.5523 -16.5523 -1.0225 -1.0225 -1.0210 -1.0210 2.6582 2.6582 2.6781 2.6781 6.2406 6.2406 6.2946 6.2946 8.1074 8.1074 8.1346 8.1346 8.6105 8.6105 8.6155 8.6155 10.4326 10.4326 10.4627 10.4627 11.6106 11.6106 11.6166 11.6166 14.0608 14.0608 14.1628 14.1628 14.7351 14.7351 14.8380 14.8380 k = 0.1250 0.5000 0.2273 ( 3908 PWs) bands (ev): -49.9874 -49.9874 -49.9874 -49.9874 -24.3113 -24.3113 -24.3111 -24.3111 -16.6657 -16.6657 -16.6656 -16.6656 -16.5550 -16.5550 -16.5543 -16.5543 -1.0203 -1.0203 -1.0187 -1.0187 2.6869 2.6869 2.7087 2.7087 6.2429 6.2429 6.3012 6.3012 8.0930 8.0930 8.1212 8.1212 8.6227 8.6227 8.6266 8.6266 10.3739 10.3739 10.4126 10.4126 11.4694 11.4694 11.4866 11.4866 14.0413 14.0413 14.1637 14.1637 14.8056 14.8056 14.9240 14.9240 k = 0.1364 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9873 -49.9873 -49.9873 -49.9873 -24.3117 -24.3117 -24.3115 -24.3115 -16.6656 -16.6656 -16.6655 -16.6655 -16.5570 -16.5570 -16.5563 -16.5563 -1.0179 -1.0179 -1.0162 -1.0162 2.7185 2.7185 2.7420 2.7420 6.2447 6.2447 6.3068 6.3068 8.0817 8.0817 8.1106 8.1106 8.6322 8.6322 8.6352 8.6352 10.3079 10.3079 10.3564 10.3564 11.3321 11.3321 11.3612 11.3612 14.0231 14.0231 14.1609 14.1609 14.8808 14.8808 15.0106 15.0106 k = 0.1477 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9872 -49.9872 -49.9872 -49.9872 -24.3121 -24.3121 -24.3119 -24.3119 -16.6655 -16.6655 -16.6654 -16.6654 -16.5591 -16.5591 -16.5583 -16.5583 -1.0154 -1.0154 -1.0136 -1.0136 2.7528 2.7528 2.7780 2.7780 6.2456 6.2456 6.3113 6.3113 8.0736 8.0736 8.1030 8.1030 8.6388 8.6388 8.6408 8.6408 10.2344 10.2344 10.2935 10.2935 11.2004 11.2004 11.2419 11.2419 14.0079 14.0079 14.1576 14.1576 14.9567 14.9567 15.0955 15.0955 k = 0.1591 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9871 -49.9871 -49.9871 -49.9871 -24.3126 -24.3126 -24.3124 -24.3124 -16.6655 -16.6655 -16.6654 -16.6654 -16.5614 -16.5614 -16.5605 -16.5605 -1.0128 -1.0128 -1.0109 -1.0109 2.7898 2.7898 2.8167 2.8167 6.2456 6.2456 6.3142 6.3142 8.0689 8.0689 8.0986 8.0986 8.6419 8.6419 8.6432 8.6432 10.1536 10.1536 10.2235 10.2235 11.0763 11.0763 11.1300 11.1300 13.9966 13.9966 14.1557 14.1557 15.0304 15.0304 15.1775 15.1775 k = 0.1705 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9870 -49.9870 -49.9870 -49.9870 -24.3131 -24.3131 -24.3129 -24.3129 -16.6655 -16.6655 -16.6654 -16.6654 -16.5636 -16.5636 -16.5627 -16.5627 -1.0100 -1.0100 -1.0081 -1.0081 2.8295 2.8295 2.8580 2.8580 6.2445 6.2445 6.3155 6.3155 8.0678 8.0678 8.0976 8.0976 8.6409 8.6409 8.6419 8.6419 10.0661 10.0661 10.1460 10.1460 10.9612 10.9612 11.0262 11.0262 13.9898 13.9898 14.1565 14.1565 15.0996 15.0996 15.2556 15.2556 k = 0.1818 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9869 -49.9869 -49.9869 -49.9869 -24.3137 -24.3137 -24.3134 -24.3134 -16.6656 -16.6656 -16.6655 -16.6655 -16.5659 -16.5659 -16.5650 -16.5650 -1.0071 -1.0071 -1.0051 -1.0051 2.8720 2.8720 2.9020 2.9020 6.2422 6.2422 6.3150 6.3150 8.0701 8.0701 8.0999 8.0999 8.6352 8.6352 8.6364 8.6364 9.9732 9.9732 10.0615 10.0615 10.8563 10.8563 10.9309 10.9309 13.9877 13.9877 14.1606 14.1606 15.1626 15.1626 15.3290 15.3290 k = 0.1932 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9868 -49.9868 -49.9868 -49.9868 -24.3142 -24.3142 -24.3140 -24.3140 -16.6657 -16.6657 -16.6657 -16.6657 -16.5682 -16.5682 -16.5673 -16.5673 -1.0041 -1.0041 -1.0021 -1.0021 2.9170 2.9170 2.9485 2.9485 6.2385 6.2385 6.3126 6.3126 8.0756 8.0756 8.1053 8.1053 8.6239 8.6239 8.6262 8.6262 9.8767 9.8767 9.9710 9.9710 10.7620 10.7620 10.8440 10.8440 13.9903 13.9903 14.1683 14.1683 15.2181 15.2181 15.3971 15.3971 k = 0.2045 0.5000 0.2273 ( 3888 PWs) bands (ev): -49.9866 -49.9866 -49.9866 -49.9866 -24.3146 -24.3146 -24.3144 -24.3144 -16.6659 -16.6659 -16.6658 -16.6658 -16.5704 -16.5704 -16.5694 -16.5694 -1.0011 -1.0011 -0.9991 -0.9991 2.9647 2.9647 2.9975 2.9975 6.2335 6.2335 6.3083 6.3083 8.0838 8.0838 8.1136 8.1136 8.6061 8.6061 8.6108 8.6108 9.7791 9.7791 9.8763 9.8763 10.6781 10.6781 10.7651 10.7651 13.9975 13.9975 14.1796 14.1796 15.2654 15.2654 15.4592 15.4592 k = 0.2159 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9865 -49.9865 -49.9865 -49.9865 -24.3153 -24.3153 -24.3151 -24.3151 -16.6662 -16.6662 -16.6662 -16.6662 -16.5727 -16.5727 -16.5717 -16.5717 -0.9980 -0.9980 -0.9959 -0.9959 3.0149 3.0149 3.0490 3.0490 6.2271 6.2271 6.3020 6.3020 8.0940 8.0940 8.1242 8.1242 8.5807 8.5807 8.5898 8.5898 9.6830 9.6830 9.7799 9.7799 10.6040 10.6040 10.6937 10.6937 14.0091 14.0091 14.1946 14.1946 15.3042 15.3042 15.5142 15.5142 k = 0.2273 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9864 -49.9864 -49.9864 -49.9864 -24.3158 -24.3158 -24.3156 -24.3156 -16.6666 -16.6666 -16.6666 -16.6666 -16.5748 -16.5748 -16.5739 -16.5739 -0.9948 -0.9948 -0.9928 -0.9928 3.0676 3.0676 3.1029 3.1029 6.2194 6.2194 6.2938 6.2938 8.1046 8.1046 8.1360 8.1360 8.5471 8.5471 8.5631 8.5631 9.5915 9.5915 9.6847 9.6847 10.5387 10.5387 10.6290 10.6290 14.0249 14.0249 14.2129 14.2129 15.3350 15.3350 15.5602 15.5602 k = 0.2386 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9863 -49.9863 -49.9863 -49.9863 -24.3164 -24.3164 -24.3162 -24.3162 -16.6672 -16.6672 -16.6672 -16.6672 -16.5768 -16.5768 -16.5759 -16.5759 -0.9916 -0.9916 -0.9896 -0.9896 3.1228 3.1228 3.1592 3.1592 6.2105 6.2105 6.2840 6.2840 8.1132 8.1132 8.1471 8.1471 8.5055 8.5055 8.5318 8.5318 9.5070 9.5070 9.5934 9.5934 10.4813 10.4813 10.5705 10.5705 14.0445 14.0445 14.2344 14.2344 15.3586 15.3586 15.5948 15.5948 k = 0.2500 0.5000 0.2273 ( 3892 PWs) bands (ev): -49.9862 -49.9862 -49.9862 -49.9862 -24.3170 -24.3170 -24.3167 -24.3167 -16.6678 -16.6678 -16.6678 -16.6678 -16.5787 -16.5787 -16.5779 -16.5779 -0.9885 -0.9885 -0.9865 -0.9865 3.1803 3.1803 3.2178 3.2178 6.2005 6.2005 6.2725 6.2725 8.1159 8.1159 8.1534 8.1534 8.4587 8.4587 8.4985 8.4985 9.4318 9.4318 9.5084 9.5084 10.4309 10.4309 10.5179 10.5179 14.0676 14.0676 14.2585 14.2585 15.3758 15.3758 15.6157 15.6157 k = 0.2614 0.5000 0.2273 ( 3888 PWs) bands (ev): -49.9860 -49.9860 -49.9860 -49.9860 -24.3175 -24.3175 -24.3173 -24.3173 -16.6685 -16.6685 -16.6685 -16.6685 -16.5806 -16.5806 -16.5797 -16.5797 -0.9853 -0.9853 -0.9833 -0.9833 3.2402 3.2402 3.2786 3.2786 6.1896 6.1896 6.2598 6.2598 8.1064 8.1064 8.1469 8.1469 8.4142 8.4142 8.4687 8.4687 9.3669 9.3669 9.4315 9.4315 10.3868 10.3868 10.4707 10.4707 14.0936 14.0936 14.2849 14.2849 15.3875 15.3875 15.6229 15.6229 k = 0.2727 0.5000 0.2273 ( 3888 PWs) bands (ev): -49.9859 -49.9859 -49.9859 -49.9859 -24.3181 -24.3181 -24.3179 -24.3179 -16.6694 -16.6694 -16.6693 -16.6693 -16.5823 -16.5823 -16.5815 -16.5815 -0.9821 -0.9821 -0.9802 -0.9802 3.3023 3.3023 3.3415 3.3415 6.1780 6.1780 6.2458 6.2458 8.0773 8.0773 8.1152 8.1152 8.3847 8.3847 8.4492 8.4492 9.3124 9.3124 9.3634 9.3634 10.3487 10.3487 10.4288 10.4288 14.1222 14.1222 14.3127 14.3127 15.3945 15.3945 15.6184 15.6184 k = 0.2841 0.5000 0.2273 ( 3888 PWs) bands (ev): -49.9858 -49.9858 -49.9858 -49.9858 -24.3187 -24.3187 -24.3185 -24.3185 -16.6704 -16.6704 -16.6703 -16.6703 -16.5838 -16.5838 -16.5830 -16.5830 -0.9790 -0.9790 -0.9771 -0.9771 3.3665 3.3665 3.4064 3.4064 6.1658 6.1658 6.2310 6.2310 8.0246 8.0246 8.0521 8.0521 8.3775 8.3775 8.4446 8.4446 9.2673 9.2673 9.3043 9.3043 10.3162 10.3162 10.3920 10.3920 14.1526 14.1526 14.3414 14.3414 15.3974 15.3974 15.6046 15.6046 k = 0.2955 0.5000 0.2273 ( 3892 PWs) bands (ev): -49.9857 -49.9857 -49.9857 -49.9857 -24.3193 -24.3193 -24.3191 -24.3191 -16.6714 -16.6714 -16.6713 -16.6713 -16.5853 -16.5853 -16.5845 -16.5845 -0.9759 -0.9759 -0.9741 -0.9741 3.4328 3.4328 3.4733 3.4733 6.1533 6.1533 6.2156 6.2156 7.9503 7.9503 7.9642 7.9642 8.3877 8.3877 8.4538 8.4538 9.2303 9.2303 9.2533 9.2533 10.2891 10.2891 10.3603 10.3603 14.1844 14.1844 14.3700 14.3700 15.3970 15.3970 15.5833 15.5833 k = 0.3068 0.5000 0.2273 ( 3892 PWs) bands (ev): -49.9856 -49.9856 -49.9856 -49.9856 -24.3198 -24.3198 -24.3196 -24.3196 -16.6726 -16.6726 -16.6724 -16.6724 -16.5865 -16.5865 -16.5858 -16.5858 -0.9729 -0.9729 -0.9712 -0.9712 3.5009 3.5009 3.5419 3.5419 6.1407 6.1407 6.1997 6.1997 7.8597 7.8597 7.8609 7.8609 8.4072 8.4072 8.4727 8.4727 9.1998 9.1998 9.2094 9.2094 10.2672 10.2672 10.3337 10.3337 14.2166 14.2166 14.3973 14.3973 15.3943 15.3943 15.5563 15.5563 k = 0.3182 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9855 -49.9855 -49.9855 -49.9855 -24.3204 -24.3204 -24.3202 -24.3202 -16.6738 -16.6738 -16.6737 -16.6737 -16.5877 -16.5877 -16.5870 -16.5870 -0.9700 -0.9700 -0.9684 -0.9684 3.5708 3.5708 3.6120 3.6120 6.1283 6.1283 6.1837 6.1837 7.7484 7.7484 7.7576 7.7576 8.4315 8.4315 8.4975 8.4975 9.1715 9.1715 9.1744 9.1744 10.2506 10.2506 10.3121 10.3121 14.2483 14.2483 14.4220 14.4220 15.3905 15.3905 15.5253 15.5253 k = 0.3295 0.5000 0.2273 ( 3896 PWs) bands (ev): -49.9854 -49.9854 -49.9854 -49.9854 -24.3209 -24.3209 -24.3207 -24.3207 -16.6751 -16.6751 -16.6749 -16.6749 -16.5887 -16.5887 -16.5881 -16.5881 -0.9672 -0.9672 -0.9657 -0.9657 3.6422 3.6422 3.6835 3.6835 6.1161 6.1161 6.1678 6.1678 7.6305 7.6305 7.6481 7.6481 8.4580 8.4580 8.5254 8.5254 9.1385 9.1385 9.1529 9.1529 10.2389 10.2389 10.2955 10.2955 14.2784 14.2784 14.4426 14.4426 15.3873 15.3873 15.4921 15.4921 k = 0.3409 0.5000 0.2273 ( 3888 PWs) bands (ev): -49.9852 -49.9852 -49.9852 -49.9852 -24.3214 -24.3214 -24.3212 -24.3212 -16.6764 -16.6764 -16.6762 -16.6762 -16.5895 -16.5895 -16.5889 -16.5889 -0.9645 -0.9645 -0.9631 -0.9631 3.7148 3.7148 3.7562 3.7562 6.1045 6.1045 6.1522 6.1522 7.5096 7.5096 7.5339 7.5339 8.4852 8.4852 8.5547 8.5547 9.1095 9.1095 9.1342 9.1342 10.2320 10.2320 10.2838 10.2838 14.3058 14.3058 14.4577 14.4577 15.3865 15.3865 15.4590 15.4590 k = 0.3523 0.5000 0.2273 ( 3892 PWs) bands (ev): -49.9851 -49.9851 -49.9851 -49.9851 -24.3219 -24.3219 -24.3217 -24.3217 -16.6777 -16.6777 -16.6775 -16.6775 -16.5902 -16.5902 -16.5897 -16.5897 -0.9620 -0.9620 -0.9606 -0.9606 3.7886 3.7886 3.8297 3.8297 6.0936 6.0936 6.1372 6.1372 7.3876 7.3876 7.4172 7.4172 8.5122 8.5122 8.5840 8.5840 9.0836 9.0836 9.1177 9.1177 10.2297 10.2297 10.2767 10.2767 14.3289 14.3289 14.4659 14.4659 15.3900 15.3900 15.4285 15.4285 k = 0.3636 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9851 -49.9851 -49.9851 -49.9851 -24.3224 -24.3224 -24.3222 -24.3222 -16.6791 -16.6791 -16.6789 -16.6789 -16.5909 -16.5909 -16.5905 -16.5905 -0.9595 -0.9595 -0.9583 -0.9583 3.8630 3.8630 3.9037 3.9037 6.0837 6.0837 6.1230 6.1230 7.2658 7.2658 7.2995 7.2995 8.5384 8.5384 8.6125 8.6125 9.0606 9.0606 9.1028 9.1028 10.2315 10.2315 10.2739 10.2739 14.3464 14.3464 14.4662 14.4662 15.3997 15.3997 15.4031 15.4031 k = 0.3750 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9850 -49.9850 -49.9850 -49.9850 -24.3228 -24.3228 -24.3227 -24.3227 -16.6804 -16.6804 -16.6802 -16.6802 -16.5915 -16.5915 -16.5910 -16.5910 -0.9572 -0.9572 -0.9561 -0.9561 3.9377 3.9377 3.9777 3.9777 6.0751 6.0751 6.1098 6.1098 7.1453 7.1453 7.1821 7.1821 8.5633 8.5633 8.6393 8.6393 9.0400 9.0400 9.0890 9.0890 10.2372 10.2372 10.2752 10.2752 14.3571 14.3571 14.4583 14.4583 15.3851 15.3851 15.4166 15.4166 k = 0.3864 0.5000 0.2273 ( 3908 PWs) bands (ev): -49.9849 -49.9849 -49.9849 -49.9849 -24.3233 -24.3233 -24.3231 -24.3231 -16.6817 -16.6817 -16.6815 -16.6815 -16.5919 -16.5919 -16.5915 -16.5915 -0.9551 -0.9551 -0.9540 -0.9540 4.0121 4.0121 4.0511 4.0511 6.0679 6.0679 6.0979 6.0979 7.0272 7.0272 7.0664 7.0664 8.5868 8.5868 8.6640 8.6640 9.0218 9.0218 9.0761 9.0761 10.2461 10.2461 10.2798 10.2798 14.3602 14.3602 14.4427 14.4427 15.3766 15.3766 15.4413 15.4413 k = 0.3977 0.5000 0.2273 ( 3912 PWs) bands (ev): -49.9848 -49.9848 -49.9848 -49.9848 -24.3236 -24.3236 -24.3235 -24.3235 -16.6830 -16.6830 -16.6828 -16.6828 -16.5923 -16.5923 -16.5919 -16.5919 -0.9532 -0.9532 -0.9522 -0.9522 4.0858 4.0858 4.1234 4.1234 6.0624 6.0624 6.0876 6.0876 6.9124 6.9124 6.9532 6.9532 8.6087 8.6087 8.6860 8.6860 9.0058 9.0058 9.0639 9.0639 10.2577 10.2577 10.2873 10.2873 14.3558 14.3558 14.4209 14.4209 15.3784 15.3784 15.4733 15.4733 k = 0.4091 0.5000 0.2273 ( 3912 PWs) bands (ev): -49.9848 -49.9848 -49.9847 -49.9847 -24.3240 -24.3240 -24.3238 -24.3238 -16.6841 -16.6841 -16.6839 -16.6839 -16.5925 -16.5925 -16.5923 -16.5923 -0.9514 -0.9514 -0.9505 -0.9505 4.1578 4.1578 4.1936 4.1936 6.0591 6.0591 6.0792 6.0792 6.8019 6.8019 6.8436 6.8436 8.6289 8.6289 8.7049 8.7049 8.9922 8.9922 9.0522 9.0522 10.2711 10.2711 10.2969 10.2969 14.3447 14.3447 14.3945 14.3945 15.3907 15.3907 15.5117 15.5117 k = 0.4205 0.5000 0.2273 ( 3920 PWs) bands (ev): -49.9847 -49.9847 -49.9847 -49.9847 -24.3243 -24.3243 -24.3242 -24.3242 -16.6851 -16.6851 -16.6850 -16.6850 -16.5928 -16.5928 -16.5926 -16.5926 -0.9498 -0.9498 -0.9490 -0.9490 4.2273 4.2273 4.2608 4.2608 6.0581 6.0581 6.0731 6.0731 6.6967 6.6967 6.7386 6.7386 8.6474 8.6474 8.7205 8.7205 8.9812 8.9812 9.0410 9.0410 10.2858 10.2858 10.3079 10.3079 14.3284 14.3284 14.3656 14.3656 15.4128 15.4128 15.5550 15.5550 k = 0.4318 0.5000 0.2273 ( 3916 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3245 -24.3245 -24.3245 -24.3245 -16.6861 -16.6861 -16.6859 -16.6859 -16.5930 -16.5930 -16.5928 -16.5928 -0.9484 -0.9484 -0.9477 -0.9477 4.2931 4.2931 4.3238 4.3238 6.0600 6.0600 6.0698 6.0698 6.5978 6.5978 6.6393 6.6393 8.6642 8.6642 8.7326 8.7326 8.9729 8.9729 9.0303 9.0303 10.3007 10.3007 10.3193 10.3193 14.3090 14.3090 14.3361 14.3361 15.4433 15.4433 15.6014 15.6014 k = 0.4432 0.5000 0.2273 ( 3916 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3248 -24.3248 -24.3247 -24.3247 -16.6869 -16.6869 -16.6867 -16.6867 -16.5931 -16.5931 -16.5930 -16.5930 -0.9472 -0.9472 -0.9466 -0.9466 4.3537 4.3537 4.3810 4.3810 6.0653 6.0653 6.0697 6.0697 6.5065 6.5065 6.5468 6.5468 8.6795 8.6795 8.7409 8.7409 8.9675 8.9675 9.0201 9.0201 10.3153 10.3153 10.3305 10.3305 14.2885 14.2885 14.3078 14.3078 15.4807 15.4807 15.6484 15.6484 k = 0.4545 0.5000 0.2273 ( 3912 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3249 -24.3249 -24.3249 -24.3249 -16.6875 -16.6875 -16.6874 -16.6874 -16.5932 -16.5932 -16.5931 -16.5931 -0.9462 -0.9462 -0.9457 -0.9457 4.4077 4.4077 4.4308 4.4308 6.0735 6.0735 6.0744 6.0744 6.4241 6.4241 6.4622 6.4622 8.6933 8.6933 8.7456 8.7456 8.9649 8.9649 9.0103 9.0103 10.3286 10.3286 10.3407 10.3407 14.2690 14.2690 14.2824 14.2824 15.5232 15.5232 15.6923 15.6923 k = 0.4659 0.5000 0.2273 ( 3912 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3250 -24.3250 -16.6880 -16.6880 -16.6879 -16.6879 -16.5933 -16.5933 -16.5932 -16.5932 -0.9454 -0.9454 -0.9451 -0.9451 4.4532 4.4532 4.4714 4.4714 6.0819 6.0819 6.0876 6.0876 6.3524 6.3524 6.3870 6.3870 8.7057 8.7057 8.7468 8.7468 8.9650 8.9650 9.0011 9.0011 10.3401 10.3401 10.3491 10.3491 14.2522 14.2522 14.2611 14.2611 15.5689 15.5689 15.7269 15.7269 k = 0.4773 0.5000 0.2273 ( 3908 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3251 -24.3251 -16.6884 -16.6884 -16.6883 -16.6883 -16.5933 -16.5933 -16.5932 -16.5932 -0.9448 -0.9448 -0.9446 -0.9446 4.4884 4.4884 4.5010 4.5010 6.0948 6.0948 6.1041 6.1041 6.2939 6.2939 6.3229 6.3229 8.7168 8.7168 8.7451 8.7451 8.9674 8.9674 8.9925 8.9925 10.3492 10.3492 10.3551 10.3551 14.2395 14.2395 14.2449 14.2449 15.6161 15.6161 15.7427 15.7427 k = 0.4886 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3251 -24.3251 -16.6886 -16.6886 -16.6885 -16.6885 -16.5933 -16.5933 -16.5932 -16.5932 -0.9444 -0.9444 -0.9443 -0.9443 4.5117 4.5117 4.5181 4.5181 6.1109 6.1109 6.1197 6.1197 6.2545 6.2545 6.2732 6.2732 8.7264 8.7264 8.7409 8.7409 8.9717 8.9717 8.9845 8.9845 10.3554 10.3554 10.3583 10.3583 14.2319 14.2319 14.2344 14.2344 15.6622 15.6622 15.7333 15.7333 k = 0.5000 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5933 -16.5933 -0.9443 -0.9443 -0.9443 -0.9443 4.5218 4.5218 4.5218 4.5218 6.1232 6.1232 6.1232 6.1232 6.2463 6.2463 6.2463 6.2463 8.7345 8.7345 8.7345 8.7345 8.9775 8.9775 8.9775 8.9775 10.3584 10.3584 10.3584 10.3584 14.2301 14.2301 14.2301 14.2301 15.7034 15.7034 15.7034 15.7034 k = 0.5000 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5933 -16.5933 -0.9443 -0.9443 -0.9443 -0.9443 4.5218 4.5218 4.5218 4.5218 6.1232 6.1232 6.1232 6.1232 6.2463 6.2463 6.2463 6.2463 8.7345 8.7345 8.7345 8.7345 8.9775 8.9775 8.9775 8.9775 10.3584 10.3584 10.3584 10.3584 14.2301 14.2301 14.2301 14.2301 15.7034 15.7034 15.7034 15.7034 k = 0.4919 0.4919 0.2273 ( 3896 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3251 -24.3251 -16.6885 -16.6885 -16.6885 -16.6885 -16.5933 -16.5933 -16.5932 -16.5932 -0.9450 -0.9450 -0.9437 -0.9437 4.5060 4.5060 4.5238 4.5238 6.1051 6.1051 6.1255 6.1255 6.2545 6.2545 6.2733 6.2733 8.7261 8.7261 8.7411 8.7411 8.9716 8.9716 8.9847 8.9847 10.3542 10.3542 10.3595 10.3595 14.2319 14.2319 14.2344 14.2344 15.6612 15.6612 15.7347 15.7347 k = 0.4839 0.4839 0.2273 ( 3902 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3251 -24.3251 -16.6884 -16.6884 -16.6883 -16.6883 -16.5933 -16.5933 -16.5932 -16.5932 -0.9473 -0.9473 -0.9421 -0.9421 4.4624 4.4624 4.5279 4.5279 6.0699 6.0699 6.1277 6.1277 6.2953 6.2953 6.3222 6.3222 8.7149 8.7149 8.7469 8.7469 8.9664 8.9664 8.9936 8.9936 10.3428 10.3428 10.3614 10.3614 14.2395 14.2395 14.2450 14.2450 15.6113 15.6113 15.7547 15.7547 k = 0.4758 0.4758 0.2273 ( 3910 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3250 -24.3250 -16.6880 -16.6880 -16.6879 -16.6879 -16.5933 -16.5933 -16.5931 -16.5931 -0.9511 -0.9511 -0.9394 -0.9394 4.3944 4.3944 4.5347 4.5347 6.0303 6.0303 6.1315 6.1315 6.3527 6.3527 6.3902 6.3902 8.6998 8.6998 8.7524 8.7524 8.9620 8.9620 9.0047 9.0047 10.3243 10.3243 10.3644 10.3644 14.2520 14.2520 14.2615 14.2615 15.5577 15.5577 15.7652 15.7652 k = 0.4677 0.4677 0.2273 ( 3910 PWs) bands (ev): -49.9846 -49.9846 -49.9845 -49.9845 -24.3249 -24.3249 -24.3248 -24.3248 -16.6875 -16.6875 -16.6874 -16.6874 -16.5933 -16.5933 -16.5930 -16.5930 -0.9564 -0.9564 -0.9357 -0.9357 4.3075 4.3075 4.5443 4.5443 5.9909 5.9909 6.1370 6.1370 6.4119 6.4119 6.4819 6.4819 8.6799 8.6799 8.7582 8.7582 8.9584 8.9584 9.0188 9.0188 10.2995 10.2995 10.3688 10.3688 14.2685 14.2685 14.2833 14.2833 15.5040 15.5040 15.7691 15.7691 k = 0.4597 0.4597 0.2273 ( 3906 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3247 -24.3247 -24.3246 -24.3246 -16.6868 -16.6868 -16.6866 -16.6866 -16.5932 -16.5932 -16.5929 -16.5929 -0.9633 -0.9633 -0.9310 -0.9310 4.2065 4.2065 4.5566 4.5566 5.9534 5.9534 6.1441 6.1441 6.4713 6.4713 6.5921 6.5921 8.6547 8.6547 8.7643 8.7643 8.9555 8.9555 9.0363 9.0363 10.2693 10.2693 10.3743 10.3743 14.2872 14.2872 14.3094 14.3094 15.4535 15.4535 15.7690 15.7690 k = 0.4516 0.4516 0.2273 ( 3906 PWs) bands (ev): -49.9846 -49.9846 -49.9846 -49.9846 -24.3245 -24.3245 -24.3243 -24.3243 -16.6859 -16.6859 -16.6857 -16.6857 -16.5931 -16.5931 -16.5927 -16.5927 -0.9717 -0.9717 -0.9253 -0.9253 4.0955 4.0955 4.5716 4.5716 5.9186 5.9186 6.1529 6.1529 6.5315 6.5315 6.7149 6.7149 8.6240 8.6240 8.7707 8.7707 8.9532 8.9532 9.0580 9.0580 10.2349 10.2349 10.3811 10.3811 14.3065 14.3065 14.3387 14.3387 15.4088 15.4088 15.7669 15.7669 k = 0.4435 0.4435 0.2273 ( 3906 PWs) bands (ev): -49.9847 -49.9847 -49.9847 -49.9847 -24.3242 -24.3242 -24.3241 -24.3241 -16.6849 -16.6849 -16.6846 -16.6846 -16.5931 -16.5931 -16.5925 -16.5925 -0.9817 -0.9817 -0.9187 -0.9187 3.9777 3.9777 4.5894 4.5894 5.8870 5.8870 6.1633 6.1633 6.5927 6.5927 6.8462 6.8462 8.5882 8.5882 8.7771 8.7771 8.9510 8.9510 9.0844 9.0844 10.1977 10.1977 10.3892 10.3892 14.3246 14.3246 14.3695 14.3695 15.3723 15.3723 15.7631 15.7631 k = 0.4355 0.4355 0.2273 ( 3906 PWs) bands (ev): -49.9848 -49.9848 -49.9847 -49.9847 -24.3239 -24.3239 -24.3237 -24.3237 -16.6837 -16.6837 -16.6835 -16.6835 -16.5930 -16.5930 -16.5923 -16.5923 -0.9932 -0.9932 -0.9112 -0.9112 3.8554 3.8554 4.6098 4.6098 5.8589 5.8589 6.1754 6.1754 6.6547 6.6547 6.9828 6.9828 8.5476 8.5476 8.7832 8.7832 8.9486 8.9486 9.1161 9.1161 10.1591 10.1591 10.3986 10.3986 14.3397 14.3397 14.4001 14.4001 15.3461 15.3461 15.7559 15.7559 k = 0.4274 0.4274 0.2273 ( 3906 PWs) bands (ev): -49.9848 -49.9848 -49.9848 -49.9848 -24.3236 -24.3236 -24.3234 -24.3234 -16.6824 -16.6824 -16.6821 -16.6821 -16.5929 -16.5929 -16.5919 -16.5919 -1.0064 -1.0064 -0.9030 -0.9030 3.7302 3.7302 4.6331 4.6331 5.8345 5.8345 6.1890 6.1890 6.7174 6.7174 7.1221 7.1221 8.5031 8.5031 8.7885 8.7885 8.9453 8.9453 9.1538 9.1538 10.1208 10.1208 10.4092 10.4092 14.3505 14.3505 14.4286 14.4286 15.3323 15.3323 15.7415 15.7415 k = 0.4194 0.4194 0.2273 ( 3902 PWs) bands (ev): -49.9849 -49.9849 -49.9849 -49.9849 -24.3232 -24.3232 -24.3229 -24.3229 -16.6809 -16.6809 -16.6806 -16.6806 -16.5929 -16.5929 -16.5915 -16.5915 -1.0212 -1.0212 -0.8940 -0.8940 3.6034 3.6034 4.6590 4.6590 5.8142 5.8142 6.2042 6.2042 6.7806 6.7806 7.2618 7.2618 8.4558 8.4558 8.7924 8.7924 8.9407 8.9407 9.1983 9.1983 10.0841 10.0841 10.4210 10.4210 14.3562 14.3562 14.4530 14.4530 15.3323 15.3323 15.7182 15.7182 k = 0.4113 0.4113 0.2273 ( 3906 PWs) bands (ev): -49.9850 -49.9850 -49.9850 -49.9850 -24.3228 -24.3228 -24.3225 -24.3225 -16.6793 -16.6793 -16.6790 -16.6790 -16.5928 -16.5928 -16.5912 -16.5912 -1.0377 -1.0377 -0.8843 -0.8843 3.4760 3.4760 4.6877 4.6877 5.7980 5.7980 6.2210 6.2210 6.8441 6.8441 7.3992 7.3992 8.4072 8.4072 8.7937 8.7937 8.9349 8.9349 9.2503 9.2503 10.0507 10.0507 10.4342 10.4342 14.3566 14.3566 14.4720 14.4720 15.3469 15.3469 15.6879 15.6879 k = 0.4032 0.4032 0.2273 ( 3902 PWs) bands (ev): -49.9851 -49.9851 -49.9851 -49.9851 -24.3223 -24.3223 -24.3220 -24.3220 -16.6775 -16.6775 -16.6772 -16.6772 -16.5927 -16.5927 -16.5908 -16.5908 -1.0558 -1.0558 -0.8742 -0.8742 3.3486 3.3486 4.7190 4.7190 5.7862 5.7862 6.2394 6.2394 6.9078 6.9078 7.5315 7.5315 8.3592 8.3592 8.7906 8.7906 8.9288 8.9288 9.3107 9.3107 10.0217 10.0217 10.4486 10.4486 14.3521 14.3521 14.4851 14.4851 15.3758 15.3758 15.6528 15.6528 k = 0.3952 0.3952 0.2273 ( 3886 PWs) bands (ev): -49.9852 -49.9852 -49.9851 -49.9851 -24.3217 -24.3217 -24.3214 -24.3214 -16.6755 -16.6755 -16.6752 -16.6752 -16.5924 -16.5924 -16.5904 -16.5904 -1.0755 -1.0755 -0.8635 -0.8635 3.2218 3.2218 4.7531 4.7531 5.7788 5.7788 6.2594 6.2594 6.9715 6.9715 7.6542 7.6542 8.3154 8.3154 8.7809 8.7809 8.9240 8.9240 9.3802 9.3802 9.9982 9.9982 10.4642 10.4642 14.3437 14.3437 14.4924 14.4924 15.4176 15.4176 15.6142 15.6142 k = 0.3871 0.3871 0.2273 ( 3900 PWs) bands (ev): -49.9853 -49.9853 -49.9853 -49.9853 -24.3213 -24.3213 -24.3209 -24.3209 -16.6736 -16.6736 -16.6732 -16.6732 -16.5924 -16.5924 -16.5900 -16.5900 -1.0969 -1.0969 -0.8526 -0.8526 3.0961 3.0961 4.7900 4.7900 5.7761 5.7761 6.2810 6.2810 7.0350 7.0350 7.7605 7.7605 8.2819 8.2819 8.7628 8.7628 8.9222 8.9222 9.4595 9.4595 9.9806 9.9806 10.4811 10.4811 14.3327 14.3327 14.4949 14.4949 15.4693 15.4693 15.5732 15.5732 k = 0.3790 0.3790 0.2273 ( 3900 PWs) bands (ev): -49.9854 -49.9854 -49.9854 -49.9854 -24.3208 -24.3208 -24.3203 -24.3203 -16.6714 -16.6714 -16.6710 -16.6710 -16.5923 -16.5923 -16.5895 -16.5895 -1.1199 -1.1199 -0.8414 -0.8414 2.9718 2.9718 4.8295 4.8295 5.7780 5.7780 6.3041 6.3041 7.0980 7.0980 7.8383 7.8383 8.2700 8.2700 8.7359 8.7359 8.9243 8.9243 9.5493 9.5493 9.9691 9.9691 10.4991 10.4991 14.3204 14.3204 14.4941 14.4941 15.5099 15.5099 15.5479 15.5479 k = 0.3710 0.3710 0.2273 ( 3900 PWs) bands (ev): -49.9856 -49.9856 -49.9855 -49.9855 -24.3202 -24.3202 -24.3197 -24.3197 -16.6690 -16.6690 -16.6686 -16.6686 -16.5922 -16.5922 -16.5890 -16.5890 -1.1446 -1.1446 -0.8300 -0.8300 2.8491 2.8491 4.8717 4.8717 5.7847 5.7847 6.3288 6.3288 7.1602 7.1602 7.8745 7.8745 8.2924 8.2924 8.7014 8.7014 8.9300 8.9300 9.6499 9.6499 9.9634 9.9634 10.5183 10.5183 14.3079 14.3079 14.4915 14.4915 15.4715 15.4715 15.6018 15.6018 k = 0.3629 0.3629 0.2273 ( 3904 PWs) bands (ev): -49.9857 -49.9857 -49.9856 -49.9856 -24.3197 -24.3197 -24.3190 -24.3190 -16.6666 -16.6666 -16.6661 -16.6661 -16.5920 -16.5920 -16.5885 -16.5885 -1.1708 -1.1708 -0.8187 -0.8187 2.7284 2.7284 4.9167 4.9167 5.7962 5.7962 6.3550 6.3550 7.2214 7.2214 7.8699 7.8699 8.3475 8.3475 8.6617 8.6617 8.9385 8.9385 9.7608 9.7608 9.9633 9.9633 10.5387 10.5387 14.2966 14.2966 14.4886 14.4886 15.4190 15.4190 15.6633 15.6633 k = 0.3548 0.3548 0.2273 ( 3908 PWs) bands (ev): -49.9858 -49.9858 -49.9858 -49.9858 -24.3191 -24.3191 -24.3183 -24.3183 -16.6641 -16.6641 -16.6635 -16.6635 -16.5919 -16.5919 -16.5880 -16.5880 -1.1986 -1.1986 -0.8076 -0.8076 2.6097 2.6097 4.9643 4.9643 5.8126 5.8126 6.3828 6.3828 7.2810 7.2810 7.8395 7.8395 8.4181 8.4181 8.6211 8.6211 8.9494 8.9494 9.8792 9.8792 9.9705 9.9705 10.5602 10.5602 14.2873 14.2873 14.4868 14.4868 15.3615 15.3615 15.7038 15.7038 k = 0.3468 0.3468 0.2273 ( 3906 PWs) bands (ev): -49.9860 -49.9860 -49.9859 -49.9859 -24.3184 -24.3184 -24.3176 -24.3176 -16.6614 -16.6614 -16.6608 -16.6608 -16.5918 -16.5918 -16.5874 -16.5874 -1.2280 -1.2280 -0.7967 -0.7967 2.4934 2.4934 5.0146 5.0146 5.8337 5.8337 6.4120 6.4120 7.3383 7.3383 7.7968 7.7968 8.4791 8.4791 8.5942 8.5942 8.9623 8.9623 9.9586 9.9586 10.0296 10.0296 10.5829 10.5829 14.2808 14.2808 14.4873 14.4873 15.2991 15.2991 15.6901 15.6901 k = 0.3387 0.3387 0.2273 ( 3906 PWs) bands (ev): -49.9861 -49.9861 -49.9860 -49.9860 -24.3177 -24.3177 -24.3168 -24.3168 -16.6586 -16.6586 -16.6580 -16.6580 -16.5916 -16.5916 -16.5868 -16.5868 -1.2588 -1.2588 -0.7863 -0.7863 2.3795 2.3795 5.0677 5.0677 5.8597 5.8597 6.4428 6.4428 7.3925 7.3925 7.7489 7.7489 8.4818 8.4818 8.6257 8.6257 8.9769 8.9769 9.9736 9.9736 10.1638 10.1638 10.6069 10.6069 14.2778 14.2778 14.4909 14.4909 15.2318 15.2318 15.6449 15.6449 k = 0.3306 0.3306 0.2273 ( 3918 PWs) bands (ev): -49.9863 -49.9863 -49.9862 -49.9862 -24.3171 -24.3171 -24.3161 -24.3161 -16.6557 -16.6557 -16.6551 -16.6551 -16.5914 -16.5914 -16.5862 -16.5862 -1.2910 -1.2910 -0.7764 -0.7764 2.2683 2.2683 5.1233 5.1233 5.8903 5.8903 6.4751 6.4751 7.4418 7.4418 7.6998 7.6998 8.4460 8.4460 8.6951 8.6951 8.9934 8.9934 9.9843 9.9843 10.3104 10.3104 10.6326 10.6326 14.2786 14.2786 14.4986 14.4986 15.1596 15.1596 15.5901 15.5901 k = 0.3226 0.3226 0.2273 ( 3910 PWs) bands (ev): -49.9864 -49.9864 -49.9863 -49.9863 -24.3164 -24.3164 -24.3152 -24.3152 -16.6526 -16.6526 -16.6521 -16.6521 -16.5912 -16.5912 -16.5855 -16.5855 -1.3245 -1.3245 -0.7672 -0.7672 2.1597 2.1597 5.1817 5.1817 5.9254 5.9254 6.5089 6.5089 7.4838 7.4838 7.6526 7.6526 8.4064 8.4064 8.7694 8.7694 9.0118 9.0118 9.9945 9.9945 10.4615 10.4615 10.6616 10.6616 14.2837 14.2837 14.5106 14.5106 15.0826 15.0826 15.5303 15.5303 k = 0.3145 0.3145 0.2273 ( 3924 PWs) bands (ev): -49.9866 -49.9866 -49.9865 -49.9865 -24.3157 -24.3157 -24.3145 -24.3145 -16.6496 -16.6496 -16.6490 -16.6490 -16.5910 -16.5910 -16.5849 -16.5849 -1.3592 -1.3592 -0.7589 -0.7589 2.0540 2.0540 5.2427 5.2427 5.9650 5.9650 6.5442 6.5442 7.5122 7.5122 7.6130 7.6130 8.3716 8.3716 8.8421 8.8421 9.0327 9.0327 10.0042 10.0042 10.6037 10.6037 10.7051 10.7051 14.2934 14.2934 14.5272 14.5272 15.0013 15.0013 15.4669 15.4669 k = 0.3065 0.3065 0.2273 ( 3920 PWs) bands (ev): -49.9868 -49.9868 -49.9867 -49.9867 -24.3149 -24.3149 -24.3136 -24.3136 -16.6464 -16.6464 -16.6458 -16.6458 -16.5907 -16.5907 -16.5842 -16.5842 -1.3952 -1.3952 -0.7516 -0.7516 1.9512 1.9512 5.3064 5.3064 6.0087 6.0087 6.5809 6.5809 7.5118 7.5118 7.5948 7.5948 8.3459 8.3459 8.9112 8.9112 9.0569 9.0569 10.0128 10.0128 10.6822 10.6822 10.8162 10.8162 14.3075 14.3075 14.5478 14.5478 14.9168 14.9168 15.4006 15.4006 k = 0.2984 0.2984 0.2273 ( 3920 PWs) bands (ev): -49.9869 -49.9869 -49.9868 -49.9868 -24.3142 -24.3142 -24.3127 -24.3127 -16.6431 -16.6431 -16.6425 -16.6425 -16.5904 -16.5904 -16.5835 -16.5835 -1.4322 -1.4322 -0.7455 -0.7455 1.8515 1.8515 5.3727 5.3727 6.0563 6.0563 6.6191 6.6191 7.4826 7.4826 7.5965 7.5965 8.3324 8.3324 8.9742 8.9742 9.0867 9.0867 10.0201 10.0201 10.7178 10.7178 10.9725 10.9725 14.3259 14.3259 14.5699 14.5699 14.8325 14.8325 15.3317 15.3317 k = 0.2903 0.2903 0.2273 ( 3930 PWs) bands (ev): -49.9871 -49.9871 -49.9870 -49.9870 -24.3135 -24.3135 -24.3118 -24.3118 -16.6398 -16.6398 -16.6392 -16.6392 -16.5902 -16.5902 -16.5828 -16.5828 -1.4701 -1.4701 -0.7406 -0.7406 1.7550 1.7550 5.4417 5.4417 6.1074 6.1074 6.6587 6.6587 7.4458 7.4458 7.5964 7.5964 8.3332 8.3332 9.0277 9.0277 9.1258 9.1258 10.0257 10.0257 10.7468 10.7468 11.1359 11.1359 14.3473 14.3473 14.5839 14.5839 14.7592 14.7592 15.2608 15.2608 k = 0.2823 0.2823 0.2273 ( 3930 PWs) bands (ev): -49.9873 -49.9873 -49.9872 -49.9872 -24.3127 -24.3127 -24.3109 -24.3109 -16.6364 -16.6364 -16.6358 -16.6358 -16.5899 -16.5899 -16.5820 -16.5820 -1.5089 -1.5089 -0.7372 -0.7372 1.6617 1.6617 5.5132 5.5132 6.1615 6.1615 6.6998 6.6998 7.4093 7.4093 7.5875 7.5875 8.3486 8.3486 9.0699 9.0699 9.1762 9.1762 10.0294 10.0294 10.7741 10.7741 11.3000 11.3000 14.3673 14.3673 14.5636 14.5636 14.7278 14.7278 15.1884 15.1884 k = 0.2742 0.2742 0.2273 ( 3926 PWs) bands (ev): -49.9875 -49.9875 -49.9873 -49.9873 -24.3119 -24.3119 -24.3100 -24.3100 -16.6329 -16.6329 -16.6323 -16.6323 -16.5896 -16.5896 -16.5813 -16.5813 -1.5484 -1.5484 -0.7353 -0.7353 1.5717 1.5717 5.5874 5.5874 6.2179 6.2179 6.7422 6.7422 7.3755 7.3755 7.5698 7.5698 8.3773 8.3773 9.1043 9.1043 9.2344 9.2344 10.0312 10.0312 10.8005 10.8005 11.4623 11.4623 14.3667 14.3667 14.5193 14.5193 14.7463 14.7463 15.1151 15.1151 k = 0.2661 0.2661 0.2273 ( 3926 PWs) bands (ev): -49.9876 -49.9876 -49.9875 -49.9875 -24.3110 -24.3110 -24.3090 -24.3090 -16.6293 -16.6293 -16.6288 -16.6288 -16.5892 -16.5892 -16.5805 -16.5805 -1.5886 -1.5886 -0.7350 -0.7350 1.4851 1.4851 5.6641 5.6641 6.2757 6.2757 6.7860 6.7860 7.3452 7.3452 7.5462 7.5462 8.4170 8.4170 9.1355 9.1355 9.2960 9.2960 10.0311 10.0311 10.8260 10.8260 11.6211 11.6211 14.3090 14.3090 14.5156 14.5156 14.7848 14.7848 15.0424 15.0424 k = 0.2581 0.2581 0.2273 ( 3924 PWs) bands (ev): -49.9878 -49.9878 -49.9877 -49.9877 -24.3101 -24.3101 -24.3081 -24.3081 -16.6257 -16.6257 -16.6253 -16.6253 -16.5887 -16.5887 -16.5798 -16.5798 -1.6292 -1.6292 -0.7365 -0.7365 1.4021 1.4021 5.7434 5.7434 6.3339 6.3339 6.8313 6.8313 7.3188 7.3188 7.5198 7.5198 8.4654 8.4654 9.1657 9.1657 9.3587 9.3587 10.0291 10.0291 10.8505 10.8505 11.7751 11.7751 14.2112 14.2112 14.5468 14.5468 14.8269 14.8269 14.9739 14.9739 k = 0.2500 0.2500 0.2273 ( 3926 PWs) bands (ev): -49.9880 -49.9880 -49.9879 -49.9879 -24.3093 -24.3093 -24.3072 -24.3072 -16.6221 -16.6221 -16.6219 -16.6219 -16.5883 -16.5883 -16.5790 -16.5790 -1.6702 -1.6702 -0.7398 -0.7398 1.3225 1.3225 5.8253 5.8253 6.3910 6.3910 6.8778 6.8778 7.2966 7.2966 7.4940 7.4940 8.5205 8.5205 9.1962 9.1962 9.4212 9.4212 10.0252 10.0252 10.8739 10.8739 11.9230 11.9230 14.0986 14.0986 14.5882 14.5882 14.8466 14.8466 14.9313 14.9313 k = 0.2419 0.2419 0.2273 ( 3930 PWs) bands (ev): -49.9882 -49.9882 -49.9880 -49.9880 -24.3085 -24.3085 -24.3063 -24.3063 -16.6185 -16.6185 -16.6183 -16.6183 -16.5877 -16.5877 -16.5782 -16.5782 -1.7115 -1.7115 -0.7450 -0.7450 1.2466 1.2466 5.9097 5.9097 6.4451 6.4451 6.9258 6.9258 7.2789 7.2789 7.4723 7.4723 8.5805 8.5805 9.2274 9.2274 9.4829 9.4829 10.0198 10.0198 10.8958 10.8958 12.0636 12.0636 13.9786 13.9786 14.6263 14.6263 14.8046 14.8046 14.9505 14.9505 k = 0.2339 0.2339 0.2273 ( 3934 PWs) bands (ev): -49.9883 -49.9883 -49.9882 -49.9882 -24.3077 -24.3077 -24.3053 -24.3053 -16.6151 -16.6151 -16.6148 -16.6148 -16.5872 -16.5872 -16.5774 -16.5774 -1.7528 -1.7528 -0.7521 -0.7521 1.1743 1.1743 5.9966 5.9966 6.4939 6.4939 6.9751 6.9751 7.2658 7.2658 7.4579 7.4579 8.6442 8.6442 9.2597 9.2597 9.5432 9.5432 10.0131 10.0131 10.9158 10.9158 12.1960 12.1960 13.8540 13.8540 14.6418 14.6418 14.7514 14.7514 14.9748 14.9748 k = 0.2258 0.2258 0.2273 ( 3926 PWs) bands (ev): -49.9885 -49.9885 -49.9884 -49.9884 -24.3068 -24.3068 -24.3043 -24.3043 -16.6117 -16.6117 -16.6111 -16.6111 -16.5864 -16.5864 -16.5766 -16.5766 -1.7942 -1.7942 -0.7612 -0.7612 1.1056 1.1056 6.0860 6.0860 6.5348 6.5348 7.0258 7.0258 7.2574 7.2574 7.4542 7.4542 8.7107 8.7107 9.2932 9.2932 9.6016 9.6016 10.0052 10.0052 10.9336 10.9336 12.3196 12.3196 13.7258 13.7258 14.6134 14.6134 14.7066 14.7066 14.9845 14.9845 k = 0.2177 0.2177 0.2273 ( 3934 PWs) bands (ev): -49.9887 -49.9887 -49.9885 -49.9885 -24.3061 -24.3061 -24.3035 -24.3035 -16.6084 -16.6084 -16.6075 -16.6075 -16.5857 -16.5857 -16.5758 -16.5758 -1.8354 -1.8354 -0.7721 -0.7721 1.0405 1.0405 6.1777 6.1777 6.5655 6.5655 7.0778 7.0778 7.2538 7.2538 7.4639 7.4639 8.7793 8.7793 9.3279 9.3279 9.6576 9.6576 9.9965 9.9965 10.9488 10.9488 12.4338 12.4338 13.5947 13.5947 14.5574 14.5574 14.6502 14.6502 15.0101 15.0101 k = 0.2097 0.2097 0.2273 ( 3934 PWs) bands (ev): -49.9889 -49.9889 -49.9887 -49.9887 -24.3052 -24.3052 -24.3025 -24.3025 -16.6053 -16.6053 -16.6039 -16.6039 -16.5847 -16.5847 -16.5750 -16.5750 -1.8763 -1.8763 -0.7850 -0.7850 0.9791 0.9791 6.2718 6.2718 6.5845 6.5845 7.1310 7.1310 7.2551 7.2551 7.4891 7.4891 8.8493 8.8493 9.3640 9.3640 9.7106 9.7106 9.9873 9.9873 10.9610 10.9610 12.5385 12.5385 13.4613 13.4613 14.4945 14.4945 14.5800 14.5800 15.0517 15.0517 k = 0.2016 0.2016 0.2273 ( 3934 PWs) bands (ev): -49.9890 -49.9890 -49.9889 -49.9889 -24.3044 -24.3044 -24.3016 -24.3016 -16.6025 -16.6025 -16.6003 -16.6003 -16.5836 -16.5836 -16.5742 -16.5742 -1.9169 -1.9169 -0.7995 -0.7995 0.9212 0.9212 6.3681 6.3681 6.5917 6.5917 7.1850 7.1850 7.2614 7.2614 7.5301 7.5301 8.9204 8.9204 9.4014 9.4014 9.7600 9.7600 9.9780 9.9780 10.9698 10.9698 12.6336 12.6336 13.3261 13.3261 14.4306 14.4306 14.5073 14.5073 15.0940 15.0940 k = 0.1935 0.1935 0.2273 ( 3940 PWs) bands (ev): -49.9892 -49.9892 -49.9890 -49.9890 -24.3036 -24.3036 -24.3008 -24.3008 -16.5999 -16.5999 -16.5967 -16.5967 -16.5823 -16.5823 -16.5735 -16.5735 -1.9569 -1.9569 -0.8158 -0.8158 0.8669 0.8669 6.4657 6.4657 6.5889 6.5889 7.2382 7.2382 7.2744 7.2744 7.5858 7.5858 8.9920 8.9920 9.4402 9.4402 9.8051 9.8051 9.9688 9.9688 10.9748 10.9748 12.7193 12.7193 13.1896 13.1896 14.3674 14.3674 14.4392 14.4392 15.1241 15.1241 k = 0.1855 0.1855 0.2273 ( 3932 PWs) bands (ev): -49.9894 -49.9894 -49.9892 -49.9892 -24.3027 -24.3027 -24.2999 -24.2999 -16.5976 -16.5976 -16.5932 -16.5932 -16.5806 -16.5806 -16.5726 -16.5726 -1.9962 -1.9962 -0.8335 -0.8335 0.8159 0.8159 6.5515 6.5515 6.5913 6.5913 7.2780 7.2780 7.3064 7.3064 7.6542 7.6542 9.0639 9.0639 9.4803 9.4803 9.8448 9.8448 9.9605 9.9605 10.9755 10.9755 12.7947 12.7947 13.0536 13.0536 14.3063 14.3063 14.3794 14.3794 15.1327 15.1327 k = 0.1774 0.1774 0.2273 ( 3932 PWs) bands (ev): -49.9895 -49.9895 -49.9894 -49.9894 -24.3020 -24.3020 -24.2989 -24.2989 -16.5956 -16.5956 -16.5898 -16.5898 -16.5787 -16.5787 -16.5718 -16.5718 -2.0349 -2.0349 -0.8527 -0.8527 0.7683 0.7683 6.5490 6.5490 6.6775 6.6775 7.3018 7.3018 7.3600 7.3600 7.7330 7.7330 9.1356 9.1356 9.5217 9.5217 9.8782 9.8782 9.9536 9.9536 10.9717 10.9717 12.8442 12.8442 12.9346 12.9346 14.2493 14.2493 14.3286 14.3286 15.1190 15.1190 k = 0.1694 0.1694 0.2273 ( 3930 PWs) bands (ev): -49.9897 -49.9897 -49.9895 -49.9895 -24.3012 -24.3012 -24.2981 -24.2981 -16.5940 -16.5940 -16.5864 -16.5864 -16.5765 -16.5765 -16.5709 -16.5709 -2.0726 -2.0726 -0.8730 -0.8730 0.7239 0.7239 6.5256 6.5256 6.7819 6.7819 7.3271 7.3271 7.4176 7.4176 7.8197 7.8197 9.2068 9.2068 9.5643 9.5643 9.9034 9.9034 9.9497 9.9497 10.9631 10.9631 12.7546 12.7546 12.9471 12.9471 14.1986 14.1986 14.2865 14.2865 15.0866 15.0866 k = 0.1613 0.1613 0.2273 ( 3934 PWs) bands (ev): -49.9899 -49.9899 -49.9897 -49.9897 -24.3005 -24.3005 -24.2973 -24.2973 -16.5927 -16.5927 -16.5833 -16.5833 -16.5742 -16.5742 -16.5699 -16.5699 -2.1094 -2.1094 -0.8942 -0.8942 0.6826 0.6826 6.4980 6.4980 6.8895 6.8895 7.3564 7.3564 7.4765 7.4765 7.9123 7.9123 9.2771 9.2771 9.6080 9.6080 9.9178 9.9178 9.9511 9.9511 10.9495 10.9495 12.6169 12.6169 13.0013 13.0013 14.1559 14.1559 14.2525 14.2525 15.0366 15.0366 k = 0.1532 0.1532 0.2273 ( 3942 PWs) bands (ev): -49.9900 -49.9900 -49.9898 -49.9898 -24.2998 -24.2998 -24.2965 -24.2965 -16.5917 -16.5917 -16.5803 -16.5803 -16.5717 -16.5717 -16.5688 -16.5688 -2.1451 -2.1451 -0.9162 -0.9162 0.6442 0.6442 6.4682 6.4682 6.9994 6.9994 7.3899 7.3899 7.5362 7.5362 8.0090 8.0090 9.3460 9.3460 9.6527 9.6527 9.9229 9.9229 9.9564 9.9564 10.9307 10.9307 12.4750 12.4750 13.0550 13.0550 14.1219 14.1219 14.2264 14.2264 14.9655 14.9655 k = 0.1452 0.1452 0.2273 ( 3938 PWs) bands (ev): -49.9902 -49.9902 -49.9899 -49.9899 -24.2991 -24.2991 -24.2957 -24.2957 -16.5907 -16.5907 -16.5775 -16.5775 -16.5694 -16.5694 -16.5674 -16.5674 -2.1795 -2.1795 -0.9388 -0.9388 0.6087 0.6087 6.4374 6.4374 7.1114 7.1114 7.4278 7.4278 7.5966 7.5966 8.1083 8.1083 9.4130 9.4130 9.6981 9.6981 9.9255 9.9255 9.9591 9.9591 10.9069 10.9069 12.3317 12.3317 13.1069 13.1069 14.0968 14.0968 14.2077 14.2077 14.8704 14.8704 k = 0.1371 0.1371 0.2273 ( 3932 PWs) bands (ev): -49.9903 -49.9903 -49.9901 -49.9901 -24.2984 -24.2984 -24.2949 -24.2949 -16.5900 -16.5900 -16.5750 -16.5750 -16.5675 -16.5675 -16.5654 -16.5654 -2.2127 -2.2127 -0.9616 -0.9616 0.5758 0.5758 6.4063 6.4063 7.2252 7.2252 7.4700 7.4700 7.6575 7.6575 8.2086 8.2086 9.4775 9.4775 9.7438 9.7438 9.9292 9.9292 9.9560 9.9560 10.8781 10.8781 12.1877 12.1877 13.1581 13.1581 14.0800 14.0800 14.1963 14.1963 14.7560 14.7560 k = 0.1290 0.1290 0.2273 ( 3924 PWs) bands (ev): -49.9904 -49.9904 -49.9902 -49.9902 -24.2977 -24.2977 -24.2941 -24.2941 -16.5893 -16.5893 -16.5729 -16.5729 -16.5657 -16.5657 -16.5629 -16.5629 -2.2446 -2.2446 -0.9844 -0.9844 0.5455 0.5455 6.3755 6.3755 7.3404 7.3404 7.5166 7.5166 7.7188 7.7188 8.3088 8.3088 9.5387 9.5387 9.7889 9.7889 9.9316 9.9316 9.9511 9.9511 10.8447 10.8447 12.0432 12.0432 13.2099 13.2099 14.0710 14.0710 14.1915 14.1915 14.6309 14.6309 k = 0.1210 0.1210 0.2273 ( 3928 PWs) bands (ev): -49.9905 -49.9905 -49.9903 -49.9903 -24.2971 -24.2971 -24.2935 -24.2935 -16.5888 -16.5888 -16.5713 -16.5713 -16.5638 -16.5638 -16.5604 -16.5604 -2.2749 -2.2749 -1.0071 -1.0071 0.5175 0.5175 6.3455 6.3455 7.4558 7.4558 7.5684 7.5684 7.7802 7.7802 8.4073 8.4073 9.5958 9.5958 9.8308 9.8308 9.9206 9.9206 9.9599 9.9599 10.8070 10.8070 11.8985 11.8985 13.2635 13.2635 14.0685 14.0685 14.1922 14.1922 14.5019 14.5019 k = 0.1129 0.1129 0.2273 ( 3930 PWs) bands (ev): -49.9907 -49.9907 -49.9904 -49.9904 -24.2965 -24.2965 -24.2928 -24.2928 -16.5883 -16.5883 -16.5700 -16.5700 -16.5618 -16.5618 -16.5579 -16.5579 -2.3037 -2.3037 -1.0294 -1.0294 0.4919 0.4919 6.3166 6.3166 7.5667 7.5667 7.6298 7.6298 7.8416 7.8416 8.5031 8.5031 9.6480 9.6480 9.8546 9.8546 9.9136 9.9136 9.9809 9.9809 10.7656 10.7656 11.7538 11.7538 13.3199 13.3199 14.0715 14.0715 14.1951 14.1951 14.3758 14.3758 k = 0.1048 0.1048 0.2273 ( 3930 PWs) bands (ev): -49.9908 -49.9908 -49.9905 -49.9905 -24.2960 -24.2960 -24.2922 -24.2922 -16.5878 -16.5878 -16.5690 -16.5690 -16.5596 -16.5596 -16.5555 -16.5555 -2.3308 -2.3308 -1.0510 -1.0510 0.4685 0.4685 6.2890 6.2890 7.6540 7.6540 7.7194 7.7194 7.9029 7.9029 8.5947 8.5947 9.6947 9.6947 9.8341 9.8341 9.9408 9.9408 10.0109 10.0109 10.7210 10.7210 11.6096 11.6096 13.3798 13.3798 14.0785 14.0785 14.1790 14.1790 14.2760 14.2760 k = 0.0968 0.0968 0.2273 ( 3942 PWs) bands (ev): -49.9909 -49.9909 -49.9907 -49.9907 -24.2955 -24.2955 -24.2917 -24.2917 -16.5875 -16.5875 -16.5683 -16.5683 -16.5576 -16.5576 -16.5533 -16.5533 -2.3563 -2.3563 -1.0719 -1.0719 0.4471 0.4471 6.2630 6.2630 7.7205 7.7205 7.8338 7.8338 7.9638 7.9638 8.6810 8.6810 9.7358 9.7358 9.7934 9.7934 9.9802 9.9802 10.0484 10.0484 10.6739 10.6739 11.4660 11.4660 13.4432 13.4432 14.0769 14.0769 14.1010 14.1010 14.2579 14.2579 k = 0.0887 0.0887 0.2273 ( 3946 PWs) bands (ev): -49.9910 -49.9910 -49.9907 -49.9907 -24.2950 -24.2950 -24.2913 -24.2913 -16.5871 -16.5871 -16.5676 -16.5676 -16.5555 -16.5555 -16.5513 -16.5513 -2.3799 -2.3799 -1.0917 -1.0917 0.4278 0.4278 6.2387 6.2387 7.7840 7.7840 7.9540 7.9540 8.0246 8.0246 8.7608 8.7608 9.7390 9.7390 9.7770 9.7770 10.0218 10.0218 10.0913 10.0913 10.6252 10.6252 11.3234 11.3234 13.5097 13.5097 13.9713 13.9713 14.1051 14.1051 14.2727 14.2727 k = 0.0806 0.0806 0.2273 ( 3938 PWs) bands (ev): -49.9911 -49.9911 -49.9908 -49.9908 -24.2944 -24.2944 -24.2908 -24.2908 -16.5867 -16.5867 -16.5671 -16.5671 -16.5534 -16.5534 -16.5492 -16.5492 -2.4017 -2.4017 -1.1104 -1.1104 0.4103 0.4103 6.2162 6.2162 7.8481 7.8481 8.0669 8.0669 8.0937 8.0937 8.8331 8.8331 9.6832 9.6832 9.8100 9.8100 10.0640 10.0640 10.1369 10.1369 10.5756 10.5756 11.1826 11.1826 13.5772 13.5772 13.8612 13.8612 14.1194 14.1194 14.2937 14.2937 k = 0.0726 0.0726 0.2273 ( 3932 PWs) bands (ev): -49.9912 -49.9912 -49.9909 -49.9909 -24.2940 -24.2940 -24.2903 -24.2903 -16.5864 -16.5864 -16.5666 -16.5666 -16.5516 -16.5516 -16.5473 -16.5473 -2.4217 -2.4217 -1.1278 -1.1278 0.3947 0.3947 6.1957 6.1957 7.9130 7.9130 8.1348 8.1348 8.2071 8.2071 8.8972 8.8972 9.6212 9.6212 9.8425 9.8425 10.1059 10.1059 10.1830 10.1830 10.5261 10.5261 11.0444 11.0444 13.6331 13.6331 13.7713 13.7713 14.1350 14.1350 14.3150 14.3150 k = 0.0645 0.0645 0.2273 ( 3936 PWs) bands (ev): -49.9913 -49.9913 -49.9910 -49.9910 -24.2936 -24.2936 -24.2899 -24.2899 -16.5862 -16.5862 -16.5662 -16.5662 -16.5499 -16.5499 -16.5457 -16.5457 -2.4396 -2.4396 -1.1437 -1.1437 0.3809 0.3809 6.1771 6.1771 7.9784 7.9784 8.1910 8.1910 8.3304 8.3304 8.9528 8.9528 9.5554 9.5554 9.8737 9.8737 10.1462 10.1462 10.2274 10.2274 10.4777 10.4777 10.9104 10.9104 13.6098 13.6098 13.7703 13.7703 14.1509 14.1509 14.3321 14.3321 k = 0.0565 0.0565 0.2273 ( 3940 PWs) bands (ev): -49.9913 -49.9913 -49.9910 -49.9910 -24.2933 -24.2933 -24.2896 -24.2896 -16.5860 -16.5860 -16.5659 -16.5659 -16.5484 -16.5484 -16.5442 -16.5442 -2.4556 -2.4556 -1.1580 -1.1580 0.3688 0.3688 6.1606 6.1606 8.0431 8.0431 8.2442 8.2442 8.4536 8.4536 8.9998 8.9998 9.4872 9.4872 9.9036 9.9036 10.1835 10.1835 10.2675 10.2675 10.4313 10.4313 10.7831 10.7831 13.5296 13.5296 13.8363 13.8363 14.1669 14.1669 14.3391 14.3391 k = 0.0484 0.0484 0.2273 ( 3932 PWs) bands (ev): -49.9914 -49.9914 -49.9911 -49.9911 -24.2929 -24.2929 -24.2892 -24.2892 -16.5858 -16.5858 -16.5655 -16.5655 -16.5471 -16.5471 -16.5429 -16.5429 -2.4695 -2.4695 -1.1706 -1.1706 0.3584 0.3584 6.1462 6.1462 8.1060 8.1060 8.2947 8.2947 8.5751 8.5751 9.0387 9.0387 9.4181 9.4181 9.9316 9.9316 10.2152 10.2152 10.2991 10.2991 10.3881 10.3881 10.6685 10.6685 13.4493 13.4493 13.9123 13.9123 14.1826 14.1826 14.3317 14.3317 k = 0.0403 0.0403 0.2273 ( 3936 PWs) bands (ev): -49.9914 -49.9914 -49.9911 -49.9911 -24.2927 -24.2927 -24.2890 -24.2890 -16.5856 -16.5856 -16.5653 -16.5653 -16.5460 -16.5460 -16.5417 -16.5417 -2.4814 -2.4814 -1.1814 -1.1814 0.3496 0.3496 6.1340 6.1340 8.1650 8.1650 8.3422 8.3422 8.6930 8.6930 9.0699 9.0699 9.3501 9.3501 9.9569 9.9569 10.2349 10.2349 10.3157 10.3157 10.3493 10.3493 10.5788 10.5788 13.3775 13.3775 13.9884 13.9884 14.1985 14.1985 14.3136 14.3136 k = 0.0323 0.0323 0.2273 ( 3936 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2925 -24.2925 -24.2888 -24.2888 -16.5855 -16.5855 -16.5651 -16.5651 -16.5450 -16.5450 -16.5408 -16.5408 -2.4911 -2.4911 -1.1904 -1.1904 0.3425 0.3425 6.1239 6.1239 8.2179 8.2179 8.3868 8.3868 8.8046 8.8046 9.0942 9.0942 9.2853 9.2853 9.9781 9.9781 10.2236 10.2236 10.3109 10.3109 10.3251 10.3251 10.5312 10.5312 13.3166 13.3166 14.0593 14.0593 14.2152 14.2152 14.2934 14.2934 k = 0.0242 0.0242 0.2273 ( 3940 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2924 -24.2924 -24.2886 -24.2886 -16.5854 -16.5854 -16.5649 -16.5649 -16.5443 -16.5443 -16.5401 -16.5401 -2.4987 -2.4987 -1.1974 -1.1974 0.3370 0.3370 6.1161 6.1161 8.2617 8.2617 8.4273 8.4273 8.9057 8.9057 9.1122 9.1122 9.2270 9.2270 9.9938 9.9938 10.1723 10.1723 10.2846 10.2846 10.3334 10.3334 10.5211 10.5211 13.2680 13.2680 14.1178 14.1178 14.2306 14.2306 14.2839 14.2839 k = 0.0161 0.0161 0.2273 ( 3954 PWs) bands (ev): -49.9915 -49.9915 -49.9912 -49.9912 -24.2924 -24.2924 -24.2886 -24.2886 -16.5854 -16.5854 -16.5648 -16.5648 -16.5439 -16.5439 -16.5396 -16.5396 -2.5041 -2.5041 -1.2025 -1.2025 0.3330 0.3330 6.1105 6.1105 8.2944 8.2944 8.4615 8.4615 8.9896 8.9896 9.1245 9.1245 9.1793 9.1793 10.0009 10.0009 10.1130 10.1130 10.2642 10.2642 10.3449 10.3449 10.5260 10.5260 13.2326 13.2326 14.1555 14.1555 14.2314 14.2314 14.3072 14.3072 k = 0.0081 0.0081 0.2273 ( 3954 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2923 -24.2923 -24.2885 -24.2885 -16.5854 -16.5854 -16.5648 -16.5648 -16.5436 -16.5436 -16.5393 -16.5393 -2.5074 -2.5074 -1.2055 -1.2055 0.3307 0.3307 6.1071 6.1071 8.3143 8.3143 8.4852 8.4852 9.0471 9.0471 9.1308 9.1308 9.1480 9.1480 9.9959 9.9959 10.0758 10.0758 10.2517 10.2517 10.3531 10.3531 10.5324 10.5324 13.2110 13.2110 14.1737 14.1737 14.2246 14.2246 14.3525 14.3525 k = 0.0000 0.0000 0.2273 ( 3946 PWs) bands (ev): -49.9916 -49.9916 -49.9913 -49.9913 -24.2923 -24.2923 -24.2884 -24.2884 -16.5853 -16.5853 -16.5647 -16.5647 -16.5435 -16.5435 -16.5391 -16.5391 -2.5085 -2.5085 -1.2065 -1.2065 0.3299 0.3299 6.1060 6.1060 8.3210 8.3210 8.4938 8.4938 9.0680 9.0680 9.1300 9.1300 9.1395 9.1395 9.9896 9.9896 10.0661 10.0661 10.2474 10.2474 10.3560 10.3560 10.5350 10.5350 13.2038 13.2038 14.1790 14.1790 14.2215 14.2215 14.3835 14.3835 k = 0.0000 0.5000-0.0000 ( 3932 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0465 -1.0465 -1.0465 -1.0465 2.6593 2.6593 2.6593 2.6593 5.7292 5.7292 5.7292 5.7292 8.4723 8.4723 8.4723 8.4723 8.8475 8.8475 8.8475 8.8475 10.8442 10.8442 10.8442 10.8442 12.3540 12.3540 12.3540 12.3540 13.5788 13.5788 13.5788 13.5788 14.6935 14.6935 14.6935 14.6935 k = 0.0000 0.5000 0.0114 ( 3932 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0464 -1.0464 -1.0464 -1.0464 2.6584 2.6584 2.6584 2.6584 5.7319 5.7319 5.7319 5.7319 8.4721 8.4721 8.4721 8.4721 8.8445 8.8445 8.8445 8.8445 10.8431 10.8431 10.8431 10.8431 12.3557 12.3557 12.3557 12.3557 13.5790 13.5790 13.5790 13.5790 14.6988 14.6988 14.6988 14.6988 k = 0.0000 0.5000 0.0227 ( 3944 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3090 -24.3090 -24.3090 -24.3090 -16.6666 -16.6666 -16.6666 -16.6666 -16.5431 -16.5431 -16.5431 -16.5431 -1.0462 -1.0462 -1.0462 -1.0462 2.6558 2.6558 2.6558 2.6558 5.7399 5.7399 5.7399 5.7399 8.4718 8.4718 8.4718 8.4718 8.8358 8.8358 8.8358 8.8358 10.8398 10.8398 10.8398 10.8398 12.3605 12.3605 12.3605 12.3605 13.5796 13.5796 13.5796 13.5796 14.7146 14.7146 14.7146 14.7146 k = 0.0000 0.5000 0.0341 ( 3916 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6664 -16.6664 -16.6664 -16.6664 -16.5430 -16.5430 -16.5430 -16.5430 -1.0458 -1.0458 -1.0458 -1.0458 2.6516 2.6516 2.6516 2.6516 5.7532 5.7532 5.7532 5.7532 8.4712 8.4712 8.4712 8.4712 8.8215 8.8215 8.8215 8.8215 10.8346 10.8346 10.8346 10.8346 12.3686 12.3686 12.3686 12.3686 13.5808 13.5808 13.5808 13.5808 14.7402 14.7402 14.7402 14.7402 k = 0.0000 0.5000 0.0455 ( 3924 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0452 -1.0452 -1.0452 -1.0452 2.6458 2.6458 2.6458 2.6458 5.7714 5.7714 5.7714 5.7714 8.4704 8.4704 8.4704 8.4704 8.8018 8.8018 8.8018 8.8018 10.8275 10.8275 10.8275 10.8275 12.3797 12.3797 12.3797 12.3797 13.5829 13.5829 13.5829 13.5829 14.7743 14.7743 14.7743 14.7743 k = 0.0000 0.5000 0.0568 ( 3928 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0446 -1.0446 -1.0446 -1.0446 2.6386 2.6386 2.6386 2.6386 5.7943 5.7943 5.7943 5.7943 8.4694 8.4694 8.4694 8.4694 8.7770 8.7770 8.7770 8.7770 10.8188 10.8188 10.8188 10.8188 12.3938 12.3938 12.3938 12.3938 13.5864 13.5864 13.5864 13.5864 14.8155 14.8155 14.8155 14.8155 k = 0.0000 0.5000 0.0682 ( 3920 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5430 -16.5430 -16.5430 -16.5430 -1.0438 -1.0438 -1.0438 -1.0438 2.6303 2.6303 2.6303 2.6303 5.8214 5.8214 5.8214 5.8214 8.4682 8.4682 8.4682 8.4682 8.7476 8.7476 8.7476 8.7476 10.8087 10.8087 10.8087 10.8087 12.4106 12.4106 12.4106 12.4106 13.5914 13.5914 13.5914 13.5914 14.8619 14.8619 14.8619 14.8619 k = 0.0000 0.5000 0.0796 ( 3916 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5429 -16.5429 -16.5429 -16.5429 -1.0429 -1.0429 -1.0429 -1.0429 2.6211 2.6211 2.6211 2.6211 5.8522 5.8522 5.8522 5.8522 8.4669 8.4669 8.4669 8.4669 8.7141 8.7141 8.7141 8.7141 10.7977 10.7977 10.7977 10.7977 12.4298 12.4298 12.4298 12.4298 13.5983 13.5983 13.5983 13.5983 14.9109 14.9109 14.9109 14.9109 k = 0.0000 0.5000 0.0909 ( 3920 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6665 -16.6665 -16.6665 -16.6665 -16.5429 -16.5429 -16.5429 -16.5429 -1.0419 -1.0419 -1.0419 -1.0419 2.6111 2.6111 2.6111 2.6111 5.8861 5.8861 5.8861 5.8861 8.4655 8.4655 8.4655 8.4655 8.6771 8.6771 8.6771 8.6771 10.7860 10.7860 10.7860 10.7860 12.4511 12.4511 12.4511 12.4511 13.6069 13.6069 13.6069 13.6069 14.9592 14.9592 14.9592 14.9592 k = 0.0000 0.5000 0.1023 ( 3918 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6666 -16.6666 -16.6666 -16.6666 -16.5429 -16.5429 -16.5429 -16.5429 -1.0409 -1.0409 -1.0409 -1.0409 2.6008 2.6008 2.6008 2.6008 5.9226 5.9226 5.9226 5.9226 8.4640 8.4640 8.4640 8.4640 8.6375 8.6375 8.6375 8.6375 10.7739 10.7739 10.7739 10.7739 12.4742 12.4742 12.4742 12.4742 13.6174 13.6174 13.6174 13.6174 15.0008 15.0008 15.0008 15.0008 k = 0.0000 0.5000 0.1137 ( 3918 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3089 -24.3089 -24.3089 -24.3089 -16.6666 -16.6666 -16.6666 -16.6666 -16.5428 -16.5428 -16.5428 -16.5428 -1.0398 -1.0398 -1.0398 -1.0398 2.5904 2.5904 2.5904 2.5904 5.9607 5.9607 5.9607 5.9607 8.4624 8.4624 8.4624 8.4624 8.5960 8.5960 8.5960 8.5960 10.7618 10.7618 10.7618 10.7618 12.4987 12.4987 12.4987 12.4987 13.6294 13.6294 13.6294 13.6294 15.0231 15.0231 15.0231 15.0231 k = 0.0000 0.5000 0.1250 ( 3910 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6666 -16.6666 -16.6666 -16.6666 -16.5428 -16.5428 -16.5428 -16.5428 -1.0388 -1.0388 -1.0388 -1.0388 2.5800 2.5800 2.5800 2.5800 5.9997 5.9997 5.9997 5.9997 8.4607 8.4607 8.4607 8.4607 8.5536 8.5536 8.5536 8.5536 10.7500 10.7500 10.7500 10.7500 12.5239 12.5239 12.5239 12.5239 13.6426 13.6426 13.6426 13.6426 15.0094 15.0094 15.0094 15.0094 k = 0.0000 0.5000 0.1364 ( 3912 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6666 -16.6666 -16.6666 -16.6666 -16.5428 -16.5428 -16.5428 -16.5428 -1.0378 -1.0378 -1.0378 -1.0378 2.5700 2.5700 2.5700 2.5700 6.0387 6.0387 6.0387 6.0387 8.4587 8.4587 8.4587 8.4587 8.5115 8.5115 8.5115 8.5115 10.7387 10.7387 10.7387 10.7387 12.5494 12.5494 12.5494 12.5494 13.6567 13.6567 13.6567 13.6567 14.9644 14.9644 14.9644 14.9644 k = 0.0000 0.5000 0.1478 ( 3908 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6666 -16.6666 -16.6666 -16.6666 -16.5427 -16.5427 -16.5427 -16.5427 -1.0368 -1.0368 -1.0368 -1.0368 2.5606 2.5606 2.5606 2.5606 6.0768 6.0768 6.0768 6.0768 8.4544 8.4544 8.4544 8.4544 8.4730 8.4730 8.4730 8.4730 10.7282 10.7282 10.7282 10.7282 12.5745 12.5745 12.5745 12.5745 13.6710 13.6710 13.6710 13.6710 14.9079 14.9079 14.9079 14.9079 k = 0.0000 0.5000 0.1591 ( 3902 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6666 -16.6666 -16.6666 -16.6666 -16.5427 -16.5427 -16.5427 -16.5427 -1.0359 -1.0359 -1.0359 -1.0359 2.5520 2.5520 2.5520 2.5520 6.1129 6.1129 6.1129 6.1129 8.4275 8.4275 8.4275 8.4275 8.4593 8.4593 8.4593 8.4593 10.7187 10.7187 10.7187 10.7187 12.5985 12.5985 12.5985 12.5985 13.6850 13.6850 13.6850 13.6850 14.8513 14.8513 14.8513 14.8513 k = 0.0000 0.5000 0.1705 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0351 -1.0351 -1.0351 -1.0351 2.5444 2.5444 2.5444 2.5444 6.1459 6.1459 6.1459 6.1459 8.3926 8.3926 8.3926 8.3926 8.4571 8.4571 8.4571 8.4571 10.7103 10.7103 10.7103 10.7103 12.6206 12.6206 12.6206 12.6206 13.6981 13.6981 13.6981 13.6981 14.7993 14.7993 14.7993 14.7993 k = 0.0000 0.5000 0.1819 ( 3906 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0344 -1.0344 -1.0344 -1.0344 2.5379 2.5379 2.5379 2.5379 6.1747 6.1747 6.1747 6.1747 8.3615 8.3615 8.3615 8.3615 8.4558 8.4558 8.4558 8.4558 10.7033 10.7033 10.7033 10.7033 12.6401 12.6401 12.6401 12.6401 13.7098 13.7098 13.7098 13.7098 14.7543 14.7543 14.7543 14.7543 k = 0.0000 0.5000 0.1932 ( 3898 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3087 -24.3087 -24.3087 -24.3087 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0339 -1.0339 -1.0339 -1.0339 2.5327 2.5327 2.5327 2.5327 6.1985 6.1985 6.1985 6.1985 8.3358 8.3358 8.3358 8.3358 8.4549 8.4549 8.4549 8.4549 10.6977 10.6977 10.6977 10.6977 12.6562 12.6562 12.6562 12.6562 13.7195 13.7195 13.7195 13.7195 14.7180 14.7180 14.7180 14.7180 k = 0.0000 0.5000 0.2046 ( 3894 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3087 -24.3087 -24.3087 -24.3087 -16.6667 -16.6667 -16.6667 -16.6667 -16.5425 -16.5425 -16.5425 -16.5425 -1.0335 -1.0335 -1.0335 -1.0335 2.5290 2.5290 2.5290 2.5290 6.2162 6.2162 6.2162 6.2162 8.3166 8.3166 8.3166 8.3166 8.4543 8.4543 8.4543 8.4543 10.6936 10.6936 10.6936 10.6936 12.6683 12.6683 12.6683 12.6683 13.7268 13.7268 13.7268 13.7268 14.6912 14.6912 14.6912 14.6912 k = 0.0000 0.5000 0.2160 ( 3902 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0332 -1.0332 -1.0332 -1.0332 2.5267 2.5267 2.5267 2.5267 6.2271 6.2271 6.2271 6.2271 8.3048 8.3048 8.3048 8.3048 8.4539 8.4539 8.4539 8.4539 10.6912 10.6912 10.6912 10.6912 12.6758 12.6758 12.6758 12.6758 13.7313 13.7313 13.7313 13.7313 14.6749 14.6749 14.6749 14.6749 k = 0.0000 0.5000 0.2273 ( 3900 PWs) bands (ev): -49.9879 -49.9879 -49.9879 -49.9879 -24.3088 -24.3088 -24.3088 -24.3088 -16.6667 -16.6667 -16.6667 -16.6667 -16.5426 -16.5426 -16.5426 -16.5426 -1.0331 -1.0331 -1.0331 -1.0331 2.5259 2.5259 2.5259 2.5259 6.2308 6.2308 6.2308 6.2308 8.3008 8.3008 8.3008 8.3008 8.4538 8.4538 8.4538 8.4538 10.6904 10.6904 10.6904 10.6904 12.6783 12.6783 12.6783 12.6783 13.7328 13.7328 13.7328 13.7328 14.6694 14.6694 14.6694 14.6694 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9521 -0.9521 -0.9521 -0.9521 4.5199 4.5199 4.5199 4.5199 6.1202 6.1202 6.1202 6.1202 6.7203 6.7203 6.7203 6.7203 7.9834 7.9834 7.9834 7.9834 8.7869 8.7869 8.7869 8.7869 10.4886 10.4886 10.4886 10.4886 15.5837 15.5837 15.5837 15.5837 15.8832 15.8832 15.8832 15.8832 k = 0.5000 0.5000 0.0114 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9521 -0.9521 -0.9521 -0.9521 4.5200 4.5200 4.5200 4.5200 6.1202 6.1202 6.1202 6.1202 6.7158 6.7158 6.7158 6.7158 7.9900 7.9900 7.9900 7.9900 8.7873 8.7873 8.7873 8.7873 10.4878 10.4878 10.4878 10.4878 15.5838 15.5838 15.5838 15.5838 15.8818 15.8818 15.8818 15.8818 k = 0.5000 0.5000 0.0227 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9520 -0.9520 -0.9520 -0.9520 4.5200 4.5200 4.5200 4.5200 6.1202 6.1202 6.1202 6.1202 6.7025 6.7025 6.7025 6.7025 8.0096 8.0096 8.0096 8.0096 8.7885 8.7885 8.7885 8.7885 10.4854 10.4854 10.4854 10.4854 15.5836 15.5836 15.5836 15.5836 15.8763 15.8763 15.8763 15.8763 k = 0.5000 0.5000 0.0341 ( 3908 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6888 -16.6888 -16.6888 -16.6888 -16.5932 -16.5932 -16.5932 -16.5932 -0.9517 -0.9517 -0.9517 -0.9517 4.5200 4.5200 4.5200 4.5200 6.1203 6.1203 6.1203 6.1203 6.6816 6.6816 6.6816 6.6816 8.0408 8.0408 8.0408 8.0408 8.7905 8.7905 8.7905 8.7905 10.4815 10.4815 10.4815 10.4815 15.5819 15.5819 15.5819 15.5819 15.8620 15.8620 15.8620 15.8620 k = 0.5000 0.5000 0.0455 ( 3908 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6888 -16.6888 -16.6888 -16.6888 -16.5932 -16.5932 -16.5932 -16.5932 -0.9514 -0.9514 -0.9514 -0.9514 4.5201 4.5201 4.5201 4.5201 6.1204 6.1204 6.1204 6.1204 6.6544 6.6544 6.6544 6.6544 8.0822 8.0822 8.0822 8.0822 8.7933 8.7933 8.7933 8.7933 10.4761 10.4761 10.4761 10.4761 15.5753 15.5753 15.5753 15.5753 15.8262 15.8262 15.8262 15.8262 k = 0.5000 0.5000 0.0568 ( 3908 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5932 -16.5932 -16.5932 -16.5932 -0.9510 -0.9510 -0.9510 -0.9510 4.5202 4.5202 4.5202 4.5202 6.1205 6.1205 6.1205 6.1205 6.6225 6.6225 6.6225 6.6225 8.1319 8.1319 8.1319 8.1319 8.7969 8.7969 8.7969 8.7969 10.4695 10.4695 10.4695 10.4695 15.5531 15.5531 15.5531 15.5531 15.7611 15.7611 15.7611 15.7611 k = 0.5000 0.5000 0.0682 ( 3920 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9505 -0.9505 -0.9505 -0.9505 4.5203 4.5203 4.5203 4.5203 6.1207 6.1207 6.1207 6.1207 6.5874 6.5874 6.5874 6.5874 8.1879 8.1879 8.1879 8.1879 8.8013 8.8013 8.8013 8.8013 10.4617 10.4617 10.4617 10.4617 15.4910 15.4910 15.4910 15.4910 15.7022 15.7022 15.7022 15.7022 k = 0.5000 0.5000 0.0796 ( 3928 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5934 -16.5934 -16.5934 -16.5934 -0.9500 -0.9500 -0.9500 -0.9500 4.5204 4.5204 4.5204 4.5204 6.1209 6.1209 6.1209 6.1209 6.5505 6.5505 6.5505 6.5505 8.2483 8.2483 8.2483 8.2483 8.8067 8.8067 8.8067 8.8067 10.4530 10.4530 10.4530 10.4530 15.3819 15.3819 15.3819 15.3819 15.6771 15.6771 15.6771 15.6771 k = 0.5000 0.5000 0.0909 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9494 -0.9494 -0.9494 -0.9494 4.5206 4.5206 4.5206 4.5206 6.1211 6.1211 6.1211 6.1211 6.5129 6.5129 6.5129 6.5129 8.3114 8.3114 8.3114 8.3114 8.8130 8.8130 8.8130 8.8130 10.4435 10.4435 10.4435 10.4435 15.2512 15.2512 15.2512 15.2512 15.6708 15.6708 15.6708 15.6708 k = 0.5000 0.5000 0.1023 ( 3924 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3253 -24.3253 -24.3253 -24.3253 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9488 -0.9488 -0.9488 -0.9488 4.5207 4.5207 4.5207 4.5207 6.1213 6.1213 6.1213 6.1213 6.4758 6.4758 6.4758 6.4758 8.3752 8.3752 8.3752 8.3752 8.8205 8.8205 8.8205 8.8205 10.4336 10.4336 10.4336 10.4336 15.1155 15.1155 15.1155 15.1155 15.6714 15.6714 15.6714 15.6714 k = 0.5000 0.5000 0.1137 ( 3916 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6888 -16.6888 -16.6888 -16.6888 -16.5933 -16.5933 -16.5933 -16.5933 -0.9482 -0.9482 -0.9482 -0.9482 4.5208 4.5208 4.5208 4.5208 6.1215 6.1215 6.1215 6.1215 6.4399 6.4399 6.4399 6.4399 8.4380 8.4380 8.4380 8.4380 8.8294 8.8294 8.8294 8.8294 10.4234 10.4234 10.4234 10.4234 14.9817 14.9817 14.9817 14.9817 15.6747 15.6747 15.6747 15.6747 k = 0.5000 0.5000 0.1250 ( 3876 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3250 -24.3250 -24.3250 -24.3250 -16.6886 -16.6886 -16.6886 -16.6886 -16.5931 -16.5931 -16.5931 -16.5931 -0.9476 -0.9476 -0.9476 -0.9476 4.5210 4.5210 4.5210 4.5210 6.1217 6.1217 6.1217 6.1217 6.4059 6.4059 6.4059 6.4059 8.4981 8.4981 8.4981 8.4981 8.8401 8.8401 8.8401 8.8401 10.4132 10.4132 10.4132 10.4132 14.8535 14.8535 14.8535 14.8535 15.6791 15.6791 15.6791 15.6791 k = 0.5000 0.5000 0.1364 ( 3876 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3250 -24.3250 -24.3250 -24.3250 -16.6886 -16.6886 -16.6886 -16.6886 -16.5931 -16.5931 -16.5931 -16.5931 -0.9470 -0.9470 -0.9470 -0.9470 4.5211 4.5211 4.5211 4.5211 6.1219 6.1219 6.1219 6.1219 6.3743 6.3743 6.3743 6.3743 8.5535 8.5535 8.5535 8.5535 8.8530 8.8530 8.8530 8.8530 10.4033 10.4033 10.4033 10.4033 14.7332 14.7332 14.7332 14.7332 15.6836 15.6836 15.6836 15.6836 k = 0.5000 0.5000 0.1478 ( 3876 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3250 -24.3250 -24.3250 -24.3250 -16.6886 -16.6886 -16.6886 -16.6886 -16.5931 -16.5931 -16.5931 -16.5931 -0.9464 -0.9464 -0.9464 -0.9464 4.5213 4.5213 4.5213 4.5213 6.1222 6.1222 6.1222 6.1222 6.3455 6.3455 6.3455 6.3455 8.6023 8.6023 8.6023 8.6023 8.8685 8.8685 8.8685 8.8685 10.3939 10.3939 10.3939 10.3939 14.6227 14.6227 14.6227 14.6227 15.6880 15.6880 15.6880 15.6880 k = 0.5000 0.5000 0.1591 ( 3876 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3250 -24.3250 -24.3250 -24.3250 -16.6886 -16.6886 -16.6886 -16.6886 -16.5931 -16.5931 -16.5931 -16.5931 -0.9459 -0.9459 -0.9459 -0.9459 4.5214 4.5214 4.5214 4.5214 6.1224 6.1224 6.1224 6.1224 6.3200 6.3200 6.3200 6.3200 8.6431 8.6431 8.6431 8.6431 8.8869 8.8869 8.8869 8.8869 10.3852 10.3852 10.3852 10.3852 14.5234 14.5234 14.5234 14.5234 15.6920 15.6920 15.6920 15.6920 k = 0.5000 0.5000 0.1705 ( 3892 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3251 -24.3251 -24.3251 -24.3251 -16.6887 -16.6887 -16.6887 -16.6887 -16.5931 -16.5931 -16.5931 -16.5931 -0.9454 -0.9454 -0.9454 -0.9454 4.5215 4.5215 4.5215 4.5215 6.1226 6.1226 6.1226 6.1226 6.2979 6.2979 6.2979 6.2979 8.6752 8.6752 8.6752 8.6752 8.9074 8.9074 8.9074 8.9074 10.3774 10.3774 10.3774 10.3774 14.4367 14.4367 14.4367 14.4367 15.6954 15.6954 15.6954 15.6954 k = 0.5000 0.5000 0.1819 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5932 -16.5932 -16.5932 -16.5932 -0.9450 -0.9450 -0.9450 -0.9450 4.5216 4.5216 4.5216 4.5216 6.1228 6.1228 6.1228 6.1228 6.2795 6.2795 6.2795 6.2795 8.6990 8.6990 8.6990 8.6990 8.9286 8.9286 8.9286 8.9286 10.3708 10.3708 10.3708 10.3708 14.3639 14.3639 14.3639 14.3639 15.6983 15.6983 15.6983 15.6983 k = 0.5000 0.5000 0.1932 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5932 -16.5932 -16.5932 -16.5932 -0.9447 -0.9447 -0.9447 -0.9447 4.5217 4.5217 4.5217 4.5217 6.1229 6.1229 6.1229 6.1229 6.2651 6.2651 6.2651 6.2651 8.7157 8.7157 8.7157 8.7157 8.9482 8.9482 8.9482 8.9482 10.3655 10.3655 10.3655 10.3655 14.3061 14.3061 14.3061 14.3061 15.7005 15.7005 15.7005 15.7005 k = 0.5000 0.5000 0.2046 ( 3912 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5933 -16.5933 -0.9445 -0.9445 -0.9445 -0.9445 4.5217 4.5217 4.5217 4.5217 6.1231 6.1231 6.1231 6.1231 6.2547 6.2547 6.2547 6.2547 8.7265 8.7265 8.7265 8.7265 8.9639 8.9639 8.9639 8.9639 10.3616 10.3616 10.3616 10.3616 14.2641 14.2641 14.2641 14.2641 15.7021 15.7021 15.7021 15.7021 k = 0.5000 0.5000 0.2160 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5933 -16.5933 -0.9443 -0.9443 -0.9443 -0.9443 4.5218 4.5218 4.5218 4.5218 6.1232 6.1232 6.1232 6.1232 6.2484 6.2484 6.2484 6.2484 8.7325 8.7325 8.7325 8.7325 8.9740 8.9740 8.9740 8.9740 10.3592 10.3592 10.3592 10.3592 14.2386 14.2386 14.2386 14.2386 15.7031 15.7031 15.7031 15.7031 k = 0.5000 0.5000 0.2273 ( 3904 PWs) bands (ev): -49.9845 -49.9845 -49.9845 -49.9845 -24.3252 -24.3252 -24.3252 -24.3252 -16.6887 -16.6887 -16.6887 -16.6887 -16.5933 -16.5933 -16.5933 -16.5933 -0.9443 -0.9443 -0.9443 -0.9443 4.5218 4.5218 4.5218 4.5218 6.1232 6.1232 6.1232 6.1232 6.2463 6.2463 6.2463 6.2463 8.7345 8.7345 8.7345 8.7345 8.9775 8.9775 8.9775 8.9775 10.3584 10.3584 10.3584 10.3584 14.2301 14.2301 14.2301 14.2301 15.7034 15.7034 15.7034 15.7034 Writing output data file HfGeS.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 157.40s CPU 160.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 157.39s CPU 160.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 369 calls) cegterg : 145.13s CPU 147.21s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 66.79s CPU 68.28s WALL ( 8468 calls) s_psi : 6.77s CPU 6.55s WALL ( 8468 calls) g_psi : 0.19s CPU 0.24s WALL ( 7551 calls) cdiaghg : 63.10s CPU 64.20s WALL ( 7920 calls) cegterg:over : 6.49s CPU 6.61s WALL ( 7551 calls) cegterg:upda : 5.80s CPU 5.64s WALL ( 7551 calls) cegterg:last : 2.85s CPU 2.89s WALL ( 1319 calls) cdiaghg:chol : 3.66s CPU 3.63s WALL ( 7920 calls) cdiaghg:inve : 2.36s CPU 2.44s WALL ( 7920 calls) cdiaghg:para : 4.10s CPU 4.02s WALL ( 15840 calls) Called by h_psi: h_psi:vloc : 50.99s CPU 52.50s WALL ( 8468 calls) h_psi:vnl : 15.54s CPU 15.55s WALL ( 8468 calls) add_vuspsi : 7.78s CPU 7.86s WALL ( 8468 calls) General routines calbec : 7.74s CPU 7.68s WALL ( 8468 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.44s CPU 48.80s WALL ( 907416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 738 calls) Parallel routines fft_scatter : 25.42s CPU 26.26s WALL ( 907439 calls) PWSCF : 2m54.26s CPU 3m 8.06s WALL This run was terminated on: 19:10:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=