Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 3:41 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: ./SrHCl.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 34 24 7 1574 916 147 Max 35 25 8 1583 937 151 Sum 1245 877 261 56839 33261 5395 bravais-lattice index = 14 lattice parameter (alat) = 7.7479 a.u. unit-cell volume = 789.6522 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.747877 celldm(2)= 1.000000 celldm(3)= 1.697805 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.697805 ) 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 0.588996 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 H 1.00 1.00790 H( 1.00) Sr 10.00 87.62000 Sr( 1.00) Cl 7.00 35.45300 Cl( 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029070 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029070 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029070 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029070 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029070 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029070 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029070 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029070 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029070 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029070 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029070 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029070 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029070 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029070 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029070 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029070 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029070 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029070 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029070 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029070 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029070 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029070 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029070 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029070 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029070 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029070 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029070 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029070 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029070 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029070 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029070 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029070 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029070 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029070 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029070 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029070 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029070 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0029070 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029070 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029070 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029070 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029070 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029070 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029070 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029070 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029070 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029070 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0029070 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029070 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029070 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029070 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029070 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029070 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029070 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029070 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029070 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0029070 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029070 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029070 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029070 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029070 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029070 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029070 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029070 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029070 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029070 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029070 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029070 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0029070 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029070 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0029070 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029070 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029070 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029070 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029070 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029070 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029070 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029070 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0029070 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0029070 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0029070 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029070 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029070 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029070 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029070 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 138) = ( 0.0000000 0.0000000 0.0128043), wk = 0.0029070 k( 139) = ( 0.0000000 0.0000000 0.0256085), wk = 0.0029070 k( 140) = ( 0.0000000 0.0000000 0.0384128), wk = 0.0029070 k( 141) = ( 0.0000000 0.0000000 0.0512170), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.0640213), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.0768255), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.0896298), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.1024341), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.1152383), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.1280426), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.1408468), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.1536511), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.1664553), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.1792596), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.1920639), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.2048681), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.2176724), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.2304766), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.2432809), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.2560851), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.2688894), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.2816937), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.2944979), wk = 0.0029070 k( 161) = ( 0.0000000 0.0000000 0.2944979), wk = 0.0029070 k( 162) = ( 0.0000000 0.0128205 0.2944979), wk = 0.0029070 k( 163) = ( 0.0000000 0.0256410 0.2944979), wk = 0.0029070 k( 164) = ( 0.0000000 0.0384615 0.2944979), wk = 0.0029070 k( 165) = ( 0.0000000 0.0512821 0.2944979), wk = 0.0029070 k( 166) = ( 0.0000000 0.0641026 0.2944979), wk = 0.0029070 k( 167) = ( 0.0000000 0.0769231 0.2944979), wk = 0.0029070 k( 168) = ( 0.0000000 0.0897436 0.2944979), wk = 0.0029070 k( 169) = ( 0.0000000 0.1025641 0.2944979), wk = 0.0029070 k( 170) = ( 0.0000000 0.1153846 0.2944979), wk = 0.0029070 k( 171) = ( 0.0000000 0.1282051 0.2944979), wk = 0.0029070 k( 172) = ( 0.0000000 0.1410256 0.2944979), wk = 0.0029070 k( 173) = ( 0.0000000 0.1538461 0.2944979), wk = 0.0029070 k( 174) = ( 0.0000000 0.1666667 0.2944979), wk = 0.0029070 k( 175) = ( 0.0000000 0.1794872 0.2944979), wk = 0.0029070 k( 176) = ( 0.0000000 0.1923077 0.2944979), wk = 0.0029070 k( 177) = ( 0.0000000 0.2051282 0.2944979), wk = 0.0029070 k( 178) = ( 0.0000000 0.2179487 0.2944979), wk = 0.0029070 k( 179) = ( 0.0000000 0.2307692 0.2944979), wk = 0.0029070 k( 180) = ( 0.0000000 0.2435897 0.2944979), wk = 0.0029070 k( 181) = ( 0.0000000 0.2564103 0.2944979), wk = 0.0029070 k( 182) = ( 0.0000000 0.2692308 0.2944979), wk = 0.0029070 k( 183) = ( 0.0000000 0.2820513 0.2944979), wk = 0.0029070 k( 184) = ( 0.0000000 0.2948718 0.2944979), wk = 0.0029070 k( 185) = ( 0.0000000 0.3076923 0.2944979), wk = 0.0029070 k( 186) = ( 0.0000000 0.3205128 0.2944979), wk = 0.0029070 k( 187) = ( 0.0000000 0.3333333 0.2944979), wk = 0.0029070 k( 188) = ( 0.0000000 0.3461538 0.2944979), wk = 0.0029070 k( 189) = ( 0.0000000 0.3589744 0.2944979), wk = 0.0029070 k( 190) = ( 0.0000000 0.3717949 0.2944979), wk = 0.0029070 k( 191) = ( 0.0000000 0.3846154 0.2944979), wk = 0.0029070 k( 192) = ( 0.0000000 0.3974359 0.2944979), wk = 0.0029070 k( 193) = ( 0.0000000 0.4102564 0.2944979), wk = 0.0029070 k( 194) = ( 0.0000000 0.4230769 0.2944979), wk = 0.0029070 k( 195) = ( 0.0000000 0.4358974 0.2944979), wk = 0.0029070 k( 196) = ( 0.0000000 0.4487179 0.2944979), wk = 0.0029070 k( 197) = ( 0.0000000 0.4615385 0.2944979), wk = 0.0029070 k( 198) = ( 0.0000000 0.4743590 0.2944979), wk = 0.0029070 k( 199) = ( 0.0000000 0.4871795 0.2944979), wk = 0.0029070 k( 200) = ( 0.0000000 0.5000000 0.2944979), wk = 0.0029070 k( 201) = ( 0.0000000 0.5000000 0.2944979), wk = 0.0029070 k( 202) = ( 0.0128205 0.5000000 0.2944979), wk = 0.0029070 k( 203) = ( 0.0256410 0.5000000 0.2944979), wk = 0.0029070 k( 204) = ( 0.0384615 0.5000000 0.2944979), wk = 0.0029070 k( 205) = ( 0.0512821 0.5000000 0.2944979), wk = 0.0029070 k( 206) = ( 0.0641026 0.5000000 0.2944979), wk = 0.0029070 k( 207) = ( 0.0769231 0.5000000 0.2944979), wk = 0.0029070 k( 208) = ( 0.0897436 0.5000000 0.2944979), wk = 0.0029070 k( 209) = ( 0.1025641 0.5000000 0.2944979), wk = 0.0029070 k( 210) = ( 0.1153846 0.5000000 0.2944979), wk = 0.0029070 k( 211) = ( 0.1282051 0.5000000 0.2944979), wk = 0.0029070 k( 212) = ( 0.1410256 0.5000000 0.2944979), wk = 0.0029070 k( 213) = ( 0.1538461 0.5000000 0.2944979), wk = 0.0029070 k( 214) = ( 0.1666667 0.5000000 0.2944979), wk = 0.0029070 k( 215) = ( 0.1794872 0.5000000 0.2944979), wk = 0.0029070 k( 216) = ( 0.1923077 0.5000000 0.2944979), wk = 0.0029070 k( 217) = ( 0.2051282 0.5000000 0.2944979), wk = 0.0029070 k( 218) = ( 0.2179487 0.5000000 0.2944979), wk = 0.0029070 k( 219) = ( 0.2307692 0.5000000 0.2944979), wk = 0.0029070 k( 220) = ( 0.2435897 0.5000000 0.2944979), wk = 0.0029070 k( 221) = ( 0.2564103 0.5000000 0.2944979), wk = 0.0029070 k( 222) = ( 0.2692308 0.5000000 0.2944979), wk = 0.0029070 k( 223) = ( 0.2820513 0.5000000 0.2944979), wk = 0.0029070 k( 224) = ( 0.2948718 0.5000000 0.2944979), wk = 0.0029070 k( 225) = ( 0.3076923 0.5000000 0.2944979), wk = 0.0029070 k( 226) = ( 0.3205128 0.5000000 0.2944979), wk = 0.0029070 k( 227) = ( 0.3333333 0.5000000 0.2944979), wk = 0.0029070 k( 228) = ( 0.3461538 0.5000000 0.2944979), wk = 0.0029070 k( 229) = ( 0.3589744 0.5000000 0.2944979), wk = 0.0029070 k( 230) = ( 0.3717949 0.5000000 0.2944979), wk = 0.0029070 k( 231) = ( 0.3846154 0.5000000 0.2944979), wk = 0.0029070 k( 232) = ( 0.3974359 0.5000000 0.2944979), wk = 0.0029070 k( 233) = ( 0.4102564 0.5000000 0.2944979), wk = 0.0029070 k( 234) = ( 0.4230769 0.5000000 0.2944979), wk = 0.0029070 k( 235) = ( 0.4358974 0.5000000 0.2944979), wk = 0.0029070 k( 236) = ( 0.4487179 0.5000000 0.2944979), wk = 0.0029070 k( 237) = ( 0.4615385 0.5000000 0.2944979), wk = 0.0029070 k( 238) = ( 0.4743590 0.5000000 0.2944979), wk = 0.0029070 k( 239) = ( 0.4871795 0.5000000 0.2944979), wk = 0.0029070 k( 240) = ( 0.5000000 0.5000000 0.2944979), wk = 0.0029070 k( 241) = ( 0.5000000 0.5000000 0.2944979), wk = 0.0029070 k( 242) = ( 0.4909091 0.4909091 0.2944979), wk = 0.0029070 k( 243) = ( 0.4818182 0.4818182 0.2944979), wk = 0.0029070 k( 244) = ( 0.4727273 0.4727273 0.2944979), wk = 0.0029070 k( 245) = ( 0.4636364 0.4636364 0.2944979), wk = 0.0029070 k( 246) = ( 0.4545455 0.4545454 0.2944979), wk = 0.0029070 k( 247) = ( 0.4454546 0.4454545 0.2944979), wk = 0.0029070 k( 248) = ( 0.4363636 0.4363636 0.2944979), wk = 0.0029070 k( 249) = ( 0.4272727 0.4272727 0.2944979), wk = 0.0029070 k( 250) = ( 0.4181818 0.4181818 0.2944979), wk = 0.0029070 k( 251) = ( 0.4090909 0.4090909 0.2944979), wk = 0.0029070 k( 252) = ( 0.4000000 0.4000000 0.2944979), wk = 0.0029070 k( 253) = ( 0.3909091 0.3909091 0.2944979), wk = 0.0029070 k( 254) = ( 0.3818182 0.3818182 0.2944979), wk = 0.0029070 k( 255) = ( 0.3727273 0.3727273 0.2944979), wk = 0.0029070 k( 256) = ( 0.3636364 0.3636364 0.2944979), wk = 0.0029070 k( 257) = ( 0.3545454 0.3545454 0.2944979), wk = 0.0029070 k( 258) = ( 0.3454546 0.3454545 0.2944979), wk = 0.0029070 k( 259) = ( 0.3363636 0.3363636 0.2944979), wk = 0.0029070 k( 260) = ( 0.3272727 0.3272727 0.2944979), wk = 0.0029070 k( 261) = ( 0.3181818 0.3181818 0.2944979), wk = 0.0029070 k( 262) = ( 0.3090909 0.3090909 0.2944979), wk = 0.0029070 k( 263) = ( 0.3000000 0.3000000 0.2944979), wk = 0.0029070 k( 264) = ( 0.2909091 0.2909091 0.2944979), wk = 0.0029070 k( 265) = ( 0.2818182 0.2818182 0.2944979), wk = 0.0029070 k( 266) = ( 0.2727273 0.2727273 0.2944979), wk = 0.0029070 k( 267) = ( 0.2636364 0.2636364 0.2944979), wk = 0.0029070 k( 268) = ( 0.2545455 0.2545455 0.2944979), wk = 0.0029070 k( 269) = ( 0.2454545 0.2454545 0.2944979), wk = 0.0029070 k( 270) = ( 0.2363636 0.2363636 0.2944979), wk = 0.0029070 k( 271) = ( 0.2272727 0.2272727 0.2944979), wk = 0.0029070 k( 272) = ( 0.2181818 0.2181818 0.2944979), wk = 0.0029070 k( 273) = ( 0.2090909 0.2090909 0.2944979), wk = 0.0029070 k( 274) = ( 0.2000000 0.2000000 0.2944979), wk = 0.0029070 k( 275) = ( 0.1909091 0.1909091 0.2944979), wk = 0.0029070 k( 276) = ( 0.1818182 0.1818182 0.2944979), wk = 0.0029070 k( 277) = ( 0.1727273 0.1727273 0.2944979), wk = 0.0029070 k( 278) = ( 0.1636364 0.1636364 0.2944979), wk = 0.0029070 k( 279) = ( 0.1545455 0.1545454 0.2944979), wk = 0.0029070 k( 280) = ( 0.1454545 0.1454545 0.2944979), wk = 0.0029070 k( 281) = ( 0.1363636 0.1363636 0.2944979), wk = 0.0029070 k( 282) = ( 0.1272727 0.1272727 0.2944979), wk = 0.0029070 k( 283) = ( 0.1181818 0.1181818 0.2944979), wk = 0.0029070 k( 284) = ( 0.1090909 0.1090909 0.2944979), wk = 0.0029070 k( 285) = ( 0.1000000 0.1000000 0.2944979), wk = 0.0029070 k( 286) = ( 0.0909091 0.0909091 0.2944979), wk = 0.0029070 k( 287) = ( 0.0818182 0.0818182 0.2944979), wk = 0.0029070 k( 288) = ( 0.0727273 0.0727273 0.2944979), wk = 0.0029070 k( 289) = ( 0.0636364 0.0636364 0.2944979), wk = 0.0029070 k( 290) = ( 0.0545455 0.0545454 0.2944979), wk = 0.0029070 k( 291) = ( 0.0454546 0.0454545 0.2944979), wk = 0.0029070 k( 292) = ( 0.0363636 0.0363636 0.2944979), wk = 0.0029070 k( 293) = ( 0.0272727 0.0272727 0.2944979), wk = 0.0029070 k( 294) = ( 0.0181818 0.0181818 0.2944979), wk = 0.0029070 k( 295) = ( 0.0090909 0.0090909 0.2944979), wk = 0.0029070 k( 296) = ( 0.0000000 0.0000000 0.2944979), wk = 0.0029070 k( 297) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 0.0128043), wk = 0.0029070 k( 299) = ( 0.0000000 0.5000000 0.0256085), wk = 0.0029070 k( 300) = ( 0.0000000 0.5000000 0.0384128), wk = 0.0029070 k( 301) = ( 0.0000000 0.5000000 0.0512170), wk = 0.0029070 k( 302) = ( 0.0000000 0.5000000 0.0640213), wk = 0.0029070 k( 303) = ( 0.0000000 0.5000000 0.0768255), wk = 0.0029070 k( 304) = ( 0.0000000 0.5000000 0.0896298), wk = 0.0029070 k( 305) = ( 0.0000000 0.5000000 0.1024341), wk = 0.0029070 k( 306) = ( 0.0000000 0.5000000 0.1152383), wk = 0.0029070 k( 307) = ( 0.0000000 0.5000000 0.1280426), wk = 0.0029070 k( 308) = ( 0.0000000 0.5000000 0.1408468), wk = 0.0029070 k( 309) = ( 0.0000000 0.5000000 0.1536511), wk = 0.0029070 k( 310) = ( 0.0000000 0.5000000 0.1664553), wk = 0.0029070 k( 311) = ( 0.0000000 0.5000000 0.1792596), wk = 0.0029070 k( 312) = ( 0.0000000 0.5000000 0.1920639), wk = 0.0029070 k( 313) = ( 0.0000000 0.5000000 0.2048681), wk = 0.0029070 k( 314) = ( 0.0000000 0.5000000 0.2176724), wk = 0.0029070 k( 315) = ( 0.0000000 0.5000000 0.2304766), wk = 0.0029070 k( 316) = ( 0.0000000 0.5000000 0.2432809), wk = 0.0029070 k( 317) = ( 0.0000000 0.5000000 0.2560851), wk = 0.0029070 k( 318) = ( 0.0000000 0.5000000 0.2688894), wk = 0.0029070 k( 319) = ( 0.0000000 0.5000000 0.2816937), wk = 0.0029070 k( 320) = ( 0.0000000 0.5000000 0.2944979), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.0128043), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.0256085), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.0384128), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.0512170), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.0640213), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.0768255), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.0896298), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.1024341), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.1152383), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.1280426), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.1408468), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.1536511), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.1664553), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.1792596), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.1920639), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.2048681), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.2176724), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.2304766), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.2432809), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.2560851), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.2688894), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.2816937), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.2944979), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0029070 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029070 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0029070 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0029070 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0029070 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029070 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029070 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029070 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029070 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0029070 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029070 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029070 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029070 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029070 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029070 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029070 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029070 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029070 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0029070 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029070 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029070 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029070 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029070 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029070 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029070 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029070 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029070 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0029070 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0029070 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0029070 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029070 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0029070 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029070 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029070 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0029070 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029070 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0029070 k( 86) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0029070 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0029070 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0029070 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029070 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029070 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029070 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029070 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029070 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029070 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029070 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0029070 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029070 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029070 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0029070 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029070 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029070 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029070 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029070 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029070 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0029070 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029070 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029070 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029070 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029070 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0029070 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029070 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029070 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029070 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029070 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029070 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029070 k( 119) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0029070 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0029070 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0029070 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029070 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029070 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0029070 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029070 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029070 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029070 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029070 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0029070 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0029070 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0029070 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029070 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029070 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029070 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029070 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 138) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0029070 k( 139) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0029070 k( 140) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0029070 k( 141) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 162) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029070 k( 163) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029070 k( 164) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029070 k( 165) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029070 k( 166) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029070 k( 167) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029070 k( 168) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029070 k( 169) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029070 k( 170) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029070 k( 171) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029070 k( 172) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029070 k( 173) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029070 k( 174) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029070 k( 175) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029070 k( 176) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029070 k( 177) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029070 k( 178) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029070 k( 179) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029070 k( 180) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029070 k( 181) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029070 k( 182) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029070 k( 183) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029070 k( 184) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029070 k( 185) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029070 k( 186) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029070 k( 187) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029070 k( 188) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029070 k( 189) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029070 k( 190) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029070 k( 191) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029070 k( 192) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029070 k( 193) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029070 k( 194) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029070 k( 195) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029070 k( 196) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029070 k( 197) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029070 k( 198) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029070 k( 199) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029070 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 201) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 202) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029070 k( 203) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029070 k( 204) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029070 k( 205) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029070 k( 206) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029070 k( 207) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029070 k( 208) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029070 k( 209) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029070 k( 210) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029070 k( 211) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029070 k( 212) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029070 k( 213) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029070 k( 214) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029070 k( 215) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029070 k( 216) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029070 k( 217) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029070 k( 218) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029070 k( 219) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029070 k( 220) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029070 k( 221) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029070 k( 222) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029070 k( 223) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029070 k( 224) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029070 k( 225) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029070 k( 226) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029070 k( 227) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029070 k( 228) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029070 k( 229) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029070 k( 230) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029070 k( 231) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029070 k( 232) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029070 k( 233) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029070 k( 234) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029070 k( 237) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029070 k( 238) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029070 k( 239) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029070 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 242) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0029070 k( 243) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0029070 k( 244) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0029070 k( 245) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0029070 k( 246) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0029070 k( 247) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0029070 k( 248) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0029070 k( 249) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0029070 k( 250) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0029070 k( 251) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0029070 k( 252) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0029070 k( 253) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0029070 k( 254) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0029070 k( 255) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0029070 k( 256) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0029070 k( 257) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0029070 k( 258) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0029070 k( 259) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0029070 k( 260) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029070 k( 261) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0029070 k( 262) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029070 k( 263) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029070 k( 264) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029070 k( 265) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0029070 k( 266) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029070 k( 267) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0029070 k( 268) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029070 k( 269) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0029070 k( 270) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029070 k( 271) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0029070 k( 272) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029070 k( 273) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0029070 k( 274) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029070 k( 275) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0029070 k( 276) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029070 k( 277) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0029070 k( 278) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029070 k( 279) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0029070 k( 280) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029070 k( 281) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0029070 k( 282) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029070 k( 283) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0029070 k( 284) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029070 k( 285) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029070 k( 286) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029070 k( 287) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0029070 k( 288) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029070 k( 289) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0029070 k( 290) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029070 k( 291) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0029070 k( 292) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029070 k( 293) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0029070 k( 294) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029070 k( 295) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0029070 k( 296) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 297) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0029070 k( 299) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0029070 k( 300) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0029070 k( 301) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0029070 k( 302) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0029070 k( 303) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0029070 k( 304) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0029070 k( 305) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0029070 k( 306) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0029070 k( 307) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0029070 k( 308) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0029070 k( 309) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0029070 k( 310) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0029070 k( 311) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0029070 k( 312) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0029070 k( 313) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0029070 k( 314) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0029070 k( 315) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0029070 k( 316) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0029070 k( 317) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0029070 k( 318) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0029070 k( 319) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0029070 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 Dense grid: 56839 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 33261 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 268, 44) NL pseudopotentials 0.29 Mb ( 134, 140) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1578) G-vector shells 0.01 Mb ( 778) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 268, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.19 Mb ( 140, 2, 44) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./SrHCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 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 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.8 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.3 secs Computing kpt #: 26 total cpu time spent up to now is 12.6 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.4 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 14.2 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 14.9 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 16.8 secs Computing kpt #: 38 total cpu time spent up to now is 17.2 secs Computing kpt #: 39 total cpu time spent up to now is 17.6 secs Computing kpt #: 40 total cpu time spent up to now is 18.0 secs Computing kpt #: 41 total cpu time spent up to now is 18.5 secs Computing kpt #: 42 total cpu time spent up to now is 18.9 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.1 secs Computing kpt #: 46 total cpu time spent up to now is 20.4 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.2 secs Computing kpt #: 49 total cpu time spent up to now is 21.6 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.7 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.5 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.1 secs Computing kpt #: 59 total cpu time spent up to now is 25.5 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.3 secs Computing kpt #: 62 total cpu time spent up to now is 26.7 secs Computing kpt #: 63 total cpu time spent up to now is 27.2 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.0 secs Computing kpt #: 66 total cpu time spent up to now is 28.4 secs Computing kpt #: 67 total cpu time spent up to now is 28.8 secs Computing kpt #: 68 total cpu time spent up to now is 29.2 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 30.1 secs Computing kpt #: 71 total cpu time spent up to now is 30.5 secs Computing kpt #: 72 total cpu time spent up to now is 31.0 secs Computing kpt #: 73 total cpu time spent up to now is 31.4 secs Computing kpt #: 74 total cpu time spent up to now is 31.9 secs Computing kpt #: 75 total cpu time spent up to now is 32.4 secs Computing kpt #: 76 total cpu time spent up to now is 32.9 secs Computing kpt #: 77 total cpu time spent up to now is 33.5 secs Computing kpt #: 78 total cpu time spent up to now is 34.1 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 35.5 secs Computing kpt #: 81 total cpu time spent up to now is 36.2 secs Computing kpt #: 82 total cpu time spent up to now is 36.8 secs Computing kpt #: 83 total cpu time spent up to now is 37.5 secs Computing kpt #: 84 total cpu time spent up to now is 38.0 secs Computing kpt #: 85 total cpu time spent up to now is 38.6 secs Computing kpt #: 86 total cpu time spent up to now is 39.1 secs Computing kpt #: 87 total cpu time spent up to now is 39.6 secs Computing kpt #: 88 total cpu time spent up to now is 40.2 secs Computing kpt #: 89 total cpu time spent up to now is 40.7 secs Computing kpt #: 90 total cpu time spent up to now is 41.2 secs Computing kpt #: 91 total cpu time spent up to now is 41.7 secs Computing kpt #: 92 total cpu time spent up to now is 42.2 secs Computing kpt #: 93 total cpu time spent up to now is 42.8 secs Computing kpt #: 94 total cpu time spent up to now is 43.4 secs Computing kpt #: 95 total cpu time spent up to now is 43.8 secs Computing kpt #: 96 total cpu time spent up to now is 44.3 secs Computing kpt #: 97 total cpu time spent up to now is 44.8 secs Computing kpt #: 98 total cpu time spent up to now is 45.2 secs Computing kpt #: 99 total cpu time spent up to now is 45.6 secs Computing kpt #: 100 total cpu time spent up to now is 46.0 secs Computing kpt #: 101 total cpu time spent up to now is 46.4 secs Computing kpt #: 102 total cpu time spent up to now is 46.7 secs Computing kpt #: 103 total cpu time spent up to now is 47.1 secs Computing kpt #: 104 total cpu time spent up to now is 47.5 secs Computing kpt #: 105 total cpu time spent up to now is 47.8 secs Computing kpt #: 106 total cpu time spent up to now is 48.2 secs Computing kpt #: 107 total cpu time spent up to now is 48.5 secs Computing kpt #: 108 total cpu time spent up to now is 48.9 secs Computing kpt #: 109 total cpu time spent up to now is 49.2 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 49.9 secs Computing kpt #: 112 total cpu time spent up to now is 50.3 secs Computing kpt #: 113 total cpu time spent up to now is 50.6 secs Computing kpt #: 114 total cpu time spent up to now is 51.0 secs Computing kpt #: 115 total cpu time spent up to now is 51.4 secs Computing kpt #: 116 total cpu time spent up to now is 51.8 secs Computing kpt #: 117 total cpu time spent up to now is 52.2 secs Computing kpt #: 118 total cpu time spent up to now is 52.5 secs Computing kpt #: 119 total cpu time spent up to now is 52.9 secs Computing kpt #: 120 total cpu time spent up to now is 53.2 secs Computing kpt #: 121 total cpu time spent up to now is 53.6 secs Computing kpt #: 122 total cpu time spent up to now is 54.0 secs Computing kpt #: 123 total cpu time spent up to now is 54.3 secs Computing kpt #: 124 total cpu time spent up to now is 54.7 secs Computing kpt #: 125 total cpu time spent up to now is 55.0 secs Computing kpt #: 126 total cpu time spent up to now is 55.4 secs Computing kpt #: 127 total cpu time spent up to now is 55.8 secs Computing kpt #: 128 total cpu time spent up to now is 56.1 secs Computing kpt #: 129 total cpu time spent up to now is 56.5 secs Computing kpt #: 130 total cpu time spent up to now is 56.9 secs Computing kpt #: 131 total cpu time spent up to now is 57.2 secs Computing kpt #: 132 total cpu time spent up to now is 57.6 secs Computing kpt #: 133 total cpu time spent up to now is 58.0 secs Computing kpt #: 134 total cpu time spent up to now is 58.4 secs Computing kpt #: 135 total cpu time spent up to now is 58.8 secs Computing kpt #: 136 total cpu time spent up to now is 59.2 secs Computing kpt #: 137 total cpu time spent up to now is 59.7 secs Computing kpt #: 138 total cpu time spent up to now is 60.1 secs Computing kpt #: 139 total cpu time spent up to now is 60.5 secs Computing kpt #: 140 total cpu time spent up to now is 60.9 secs Computing kpt #: 141 total cpu time spent up to now is 61.3 secs Computing kpt #: 142 total cpu time spent up to now is 61.7 secs Computing kpt #: 143 total cpu time spent up to now is 62.1 secs Computing kpt #: 144 total cpu time spent up to now is 62.6 secs Computing kpt #: 145 total cpu time spent up to now is 63.0 secs Computing kpt #: 146 total cpu time spent up to now is 63.4 secs Computing kpt #: 147 total cpu time spent up to now is 63.8 secs Computing kpt #: 148 total cpu time spent up to now is 64.2 secs Computing kpt #: 149 total cpu time spent up to now is 64.6 secs Computing kpt #: 150 total cpu time spent up to now is 65.1 secs Computing kpt #: 151 total cpu time spent up to now is 65.5 secs Computing kpt #: 152 total cpu time spent up to now is 65.9 secs Computing kpt #: 153 total cpu time spent up to now is 66.3 secs Computing kpt #: 154 total cpu time spent up to now is 66.7 secs Computing kpt #: 155 total cpu time spent up to now is 67.1 secs Computing kpt #: 156 total cpu time spent up to now is 67.6 secs Computing kpt #: 157 total cpu time spent up to now is 68.0 secs Computing kpt #: 158 total cpu time spent up to now is 68.4 secs Computing kpt #: 159 total cpu time spent up to now is 68.8 secs Computing kpt #: 160 total cpu time spent up to now is 69.2 secs Computing kpt #: 161 total cpu time spent up to now is 69.6 secs Computing kpt #: 162 total cpu time spent up to now is 70.0 secs Computing kpt #: 163 total cpu time spent up to now is 70.4 secs Computing kpt #: 164 total cpu time spent up to now is 70.8 secs Computing kpt #: 165 total cpu time spent up to now is 71.3 secs Computing kpt #: 166 total cpu time spent up to now is 71.7 secs Computing kpt #: 167 total cpu time spent up to now is 72.1 secs Computing kpt #: 168 total cpu time spent up to now is 72.5 secs Computing kpt #: 169 total cpu time spent up to now is 72.9 secs Computing kpt #: 170 total cpu time spent up to now is 73.3 secs Computing kpt #: 171 total cpu time spent up to now is 73.7 secs Computing kpt #: 172 total cpu time spent up to now is 74.1 secs Computing kpt #: 173 total cpu time spent up to now is 74.5 secs Computing kpt #: 174 total cpu time spent up to now is 74.9 secs Computing kpt #: 175 total cpu time spent up to now is 75.3 secs Computing kpt #: 176 total cpu time spent up to now is 75.7 secs Computing kpt #: 177 total cpu time spent up to now is 76.1 secs Computing kpt #: 178 total cpu time spent up to now is 76.5 secs Computing kpt #: 179 total cpu time spent up to now is 76.9 secs Computing kpt #: 180 total cpu time spent up to now is 77.3 secs Computing kpt #: 181 total cpu time spent up to now is 77.7 secs Computing kpt #: 182 total cpu time spent up to now is 78.2 secs Computing kpt #: 183 total cpu time spent up to now is 78.6 secs Computing kpt #: 184 total cpu time spent up to now is 79.0 secs Computing kpt #: 185 total cpu time spent up to now is 79.4 secs Computing kpt #: 186 total cpu time spent up to now is 79.8 secs Computing kpt #: 187 total cpu time spent up to now is 80.2 secs Computing kpt #: 188 total cpu time spent up to now is 80.7 secs Computing kpt #: 189 total cpu time spent up to now is 81.1 secs Computing kpt #: 190 total cpu time spent up to now is 81.5 secs Computing kpt #: 191 total cpu time spent up to now is 81.9 secs Computing kpt #: 192 total cpu time spent up to now is 82.3 secs Computing kpt #: 193 total cpu time spent up to now is 82.8 secs Computing kpt #: 194 total cpu time spent up to now is 83.2 secs Computing kpt #: 195 total cpu time spent up to now is 83.6 secs Computing kpt #: 196 total cpu time spent up to now is 84.1 secs Computing kpt #: 197 total cpu time spent up to now is 84.5 secs Computing kpt #: 198 total cpu time spent up to now is 84.9 secs Computing kpt #: 199 total cpu time spent up to now is 85.4 secs Computing kpt #: 200 total cpu time spent up to now is 85.8 secs Computing kpt #: 201 total cpu time spent up to now is 86.2 secs Computing kpt #: 202 total cpu time spent up to now is 86.7 secs Computing kpt #: 203 total cpu time spent up to now is 87.1 secs Computing kpt #: 204 total cpu time spent up to now is 87.5 secs Computing kpt #: 205 total cpu time spent up to now is 87.9 secs Computing kpt #: 206 total cpu time spent up to now is 88.3 secs Computing kpt #: 207 total cpu time spent up to now is 88.7 secs Computing kpt #: 208 total cpu time spent up to now is 89.1 secs Computing kpt #: 209 total cpu time spent up to now is 89.5 secs Computing kpt #: 210 total cpu time spent up to now is 89.8 secs Computing kpt #: 211 total cpu time spent up to now is 90.2 secs Computing kpt #: 212 total cpu time spent up to now is 90.6 secs Computing kpt #: 213 total cpu time spent up to now is 90.9 secs Computing kpt #: 214 total cpu time spent up to now is 91.3 secs Computing kpt #: 215 total cpu time spent up to now is 91.6 secs Computing kpt #: 216 total cpu time spent up to now is 92.0 secs Computing kpt #: 217 total cpu time spent up to now is 92.3 secs Computing kpt #: 218 total cpu time spent up to now is 92.7 secs Computing kpt #: 219 total cpu time spent up to now is 93.0 secs Computing kpt #: 220 total cpu time spent up to now is 93.4 secs Computing kpt #: 221 total cpu time spent up to now is 93.8 secs Computing kpt #: 222 total cpu time spent up to now is 94.1 secs Computing kpt #: 223 total cpu time spent up to now is 94.5 secs Computing kpt #: 224 total cpu time spent up to now is 94.9 secs Computing kpt #: 225 total cpu time spent up to now is 95.3 secs Computing kpt #: 226 total cpu time spent up to now is 95.7 secs Computing kpt #: 227 total cpu time spent up to now is 96.1 secs Computing kpt #: 228 total cpu time spent up to now is 96.5 secs Computing kpt #: 229 total cpu time spent up to now is 96.9 secs Computing kpt #: 230 total cpu time spent up to now is 97.3 secs Computing kpt #: 231 total cpu time spent up to now is 97.8 secs Computing kpt #: 232 total cpu time spent up to now is 98.2 secs Computing kpt #: 233 total cpu time spent up to now is 98.6 secs Computing kpt #: 234 total cpu time spent up to now is 99.0 secs Computing kpt #: 235 total cpu time spent up to now is 99.4 secs Computing kpt #: 236 total cpu time spent up to now is 99.9 secs Computing kpt #: 237 total cpu time spent up to now is 100.3 secs Computing kpt #: 238 total cpu time spent up to now is 100.8 secs Computing kpt #: 239 total cpu time spent up to now is 101.2 secs Computing kpt #: 240 total cpu time spent up to now is 101.6 secs Computing kpt #: 241 total cpu time spent up to now is 102.1 secs Computing kpt #: 242 total cpu time spent up to now is 102.5 secs Computing kpt #: 243 total cpu time spent up to now is 103.0 secs Computing kpt #: 244 total cpu time spent up to now is 103.4 secs Computing kpt #: 245 total cpu time spent up to now is 103.8 secs Computing kpt #: 246 total cpu time spent up to now is 104.3 secs Computing kpt #: 247 total cpu time spent up to now is 104.7 secs Computing kpt #: 248 total cpu time spent up to now is 105.1 secs Computing kpt #: 249 total cpu time spent up to now is 105.6 secs Computing kpt #: 250 total cpu time spent up to now is 106.0 secs Computing kpt #: 251 total cpu time spent up to now is 106.5 secs Computing kpt #: 252 total cpu time spent up to now is 106.9 secs Computing kpt #: 253 total cpu time spent up to now is 107.4 secs Computing kpt #: 254 total cpu time spent up to now is 107.8 secs Computing kpt #: 255 total cpu time spent up to now is 108.3 secs Computing kpt #: 256 total cpu time spent up to now is 108.8 secs Computing kpt #: 257 total cpu time spent up to now is 109.2 secs Computing kpt #: 258 total cpu time spent up to now is 109.7 secs Computing kpt #: 259 total cpu time spent up to now is 110.2 secs Computing kpt #: 260 total cpu time spent up to now is 110.6 secs Computing kpt #: 261 total cpu time spent up to now is 111.0 secs Computing kpt #: 262 total cpu time spent up to now is 111.5 secs Computing kpt #: 263 total cpu time spent up to now is 111.9 secs Computing kpt #: 264 total cpu time spent up to now is 112.3 secs Computing kpt #: 265 total cpu time spent up to now is 112.7 secs Computing kpt #: 266 total cpu time spent up to now is 113.2 secs Computing kpt #: 267 total cpu time spent up to now is 113.6 secs Computing kpt #: 268 total cpu time spent up to now is 114.0 secs Computing kpt #: 269 total cpu time spent up to now is 114.4 secs Computing kpt #: 270 total cpu time spent up to now is 114.8 secs Computing kpt #: 271 total cpu time spent up to now is 115.2 secs Computing kpt #: 272 total cpu time spent up to now is 115.5 secs Computing kpt #: 273 total cpu time spent up to now is 115.9 secs Computing kpt #: 274 total cpu time spent up to now is 116.3 secs Computing kpt #: 275 total cpu time spent up to now is 116.7 secs Computing kpt #: 276 total cpu time spent up to now is 117.1 secs Computing kpt #: 277 total cpu time spent up to now is 117.5 secs Computing kpt #: 278 total cpu time spent up to now is 117.9 secs Computing kpt #: 279 total cpu time spent up to now is 118.2 secs Computing kpt #: 280 total cpu time spent up to now is 118.7 secs Computing kpt #: 281 total cpu time spent up to now is 119.1 secs Computing kpt #: 282 total cpu time spent up to now is 119.5 secs Computing kpt #: 283 total cpu time spent up to now is 119.9 secs Computing kpt #: 284 total cpu time spent up to now is 120.4 secs Computing kpt #: 285 total cpu time spent up to now is 120.8 secs Computing kpt #: 286 total cpu time spent up to now is 121.2 secs Computing kpt #: 287 total cpu time spent up to now is 121.5 secs Computing kpt #: 288 total cpu time spent up to now is 122.0 secs Computing kpt #: 289 total cpu time spent up to now is 122.4 secs Computing kpt #: 290 total cpu time spent up to now is 122.8 secs Computing kpt #: 291 total cpu time spent up to now is 123.2 secs Computing kpt #: 292 total cpu time spent up to now is 123.6 secs Computing kpt #: 293 total cpu time spent up to now is 124.0 secs Computing kpt #: 294 total cpu time spent up to now is 124.4 secs Computing kpt #: 295 total cpu time spent up to now is 124.9 secs Computing kpt #: 296 total cpu time spent up to now is 125.3 secs Computing kpt #: 297 total cpu time spent up to now is 125.7 secs Computing kpt #: 298 total cpu time spent up to now is 126.1 secs Computing kpt #: 299 total cpu time spent up to now is 126.5 secs Computing kpt #: 300 total cpu time spent up to now is 126.9 secs Computing kpt #: 301 total cpu time spent up to now is 127.3 secs Computing kpt #: 302 total cpu time spent up to now is 127.7 secs Computing kpt #: 303 total cpu time spent up to now is 128.1 secs Computing kpt #: 304 total cpu time spent up to now is 128.6 secs Computing kpt #: 305 total cpu time spent up to now is 129.0 secs Computing kpt #: 306 total cpu time spent up to now is 129.4 secs Computing kpt #: 307 total cpu time spent up to now is 129.8 secs Computing kpt #: 308 total cpu time spent up to now is 130.2 secs Computing kpt #: 309 total cpu time spent up to now is 130.6 secs Computing kpt #: 310 total cpu time spent up to now is 131.1 secs Computing kpt #: 311 total cpu time spent up to now is 131.5 secs Computing kpt #: 312 total cpu time spent up to now is 131.9 secs Computing kpt #: 313 total cpu time spent up to now is 132.4 secs Computing kpt #: 314 total cpu time spent up to now is 132.8 secs Computing kpt #: 315 total cpu time spent up to now is 133.2 secs Computing kpt #: 316 total cpu time spent up to now is 133.7 secs Computing kpt #: 317 total cpu time spent up to now is 134.1 secs Computing kpt #: 318 total cpu time spent up to now is 134.5 secs Computing kpt #: 319 total cpu time spent up to now is 135.0 secs Computing kpt #: 320 total cpu time spent up to now is 135.4 secs Computing kpt #: 321 total cpu time spent up to now is 136.1 secs Computing kpt #: 322 total cpu time spent up to now is 136.8 secs Computing kpt #: 323 total cpu time spent up to now is 137.7 secs Computing kpt #: 324 total cpu time spent up to now is 138.2 secs Computing kpt #: 325 total cpu time spent up to now is 138.7 secs Computing kpt #: 326 total cpu time spent up to now is 139.2 secs Computing kpt #: 327 total cpu time spent up to now is 139.7 secs Computing kpt #: 328 total cpu time spent up to now is 140.1 secs Computing kpt #: 329 total cpu time spent up to now is 140.5 secs Computing kpt #: 330 total cpu time spent up to now is 140.9 secs Computing kpt #: 331 total cpu time spent up to now is 141.3 secs Computing kpt #: 332 total cpu time spent up to now is 141.7 secs Computing kpt #: 333 total cpu time spent up to now is 142.2 secs Computing kpt #: 334 total cpu time spent up to now is 142.6 secs Computing kpt #: 335 total cpu time spent up to now is 143.0 secs Computing kpt #: 336 total cpu time spent up to now is 143.4 secs Computing kpt #: 337 total cpu time spent up to now is 143.8 secs Computing kpt #: 338 total cpu time spent up to now is 144.2 secs Computing kpt #: 339 total cpu time spent up to now is 144.6 secs Computing kpt #: 340 total cpu time spent up to now is 145.0 secs Computing kpt #: 341 total cpu time spent up to now is 145.5 secs Computing kpt #: 342 total cpu time spent up to now is 145.9 secs Computing kpt #: 343 total cpu time spent up to now is 146.4 secs Computing kpt #: 344 total cpu time spent up to now is 146.8 secs ethr = 2.78E-08, avg # of iterations = 23.8 total cpu time spent up to now is 146.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9273 -10.9273 -10.7736 -10.7736 -9.9510 -9.9510 -9.6877 -9.6877 -9.6582 -9.6582 -9.6017 -9.6017 -8.9889 -8.9889 -8.7829 -8.7829 1.6814 1.6814 2.6695 2.6695 2.7624 2.7624 3.0069 3.0069 3.3077 3.3077 3.3899 3.3899 3.8966 3.8966 4.8724 4.8724 9.4761 9.4761 10.2933 10.2933 10.6640 10.6640 10.7049 10.7049 k = 0.0000 0.0128-0.0000 ( 4181 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9273 -10.9273 -10.7738 -10.7738 -9.9512 -9.9512 -9.6893 -9.6893 -9.6571 -9.6571 -9.6025 -9.6025 -8.9878 -8.9878 -8.7822 -8.7822 1.6823 1.6823 2.6673 2.6673 2.7596 2.7596 3.0102 3.0102 3.3044 3.3044 3.3860 3.3860 3.9022 3.9022 4.8726 4.8726 9.4787 9.4787 10.2934 10.2934 10.6517 10.6517 10.6954 10.6954 k = 0.0000 0.0256-0.0000 ( 4183 PWs) bands (ev): -28.0507 -28.0507 -28.0253 -28.0253 -10.9275 -10.9275 -10.7744 -10.7744 -9.9518 -9.9518 -9.6935 -9.6935 -9.6546 -9.6546 -9.6048 -9.6048 -8.9846 -8.9846 -8.7799 -8.7799 1.6849 1.6849 2.6604 2.6604 2.7526 2.7526 3.0193 3.0193 3.2937 3.2937 3.3761 3.3761 3.9182 3.9182 4.8732 4.8732 9.4862 9.4862 10.2936 10.2936 10.6091 10.6091 10.6817 10.6817 k = 0.0000 0.0385-0.0000 ( 4179 PWs) bands (ev): -28.0506 -28.0506 -28.0253 -28.0253 -10.9279 -10.9279 -10.7754 -10.7754 -9.9530 -9.9530 -9.6992 -9.6992 -9.6517 -9.6517 -9.6084 -9.6084 -8.9793 -8.9793 -8.7763 -8.7763 1.6893 1.6893 2.6477 2.6477 2.7439 2.7439 3.0325 3.0325 3.2741 3.2741 3.3638 3.3638 3.9428 3.9428 4.8742 4.8742 9.4988 9.4988 10.2938 10.2938 10.5459 10.5459 10.6691 10.6691 k = 0.0000 0.0513-0.0000 ( 4187 PWs) bands (ev): -28.0504 -28.0504 -28.0252 -28.0252 -10.9283 -10.9283 -10.7768 -10.7768 -9.9545 -9.9545 -9.7058 -9.7058 -9.6493 -9.6493 -9.6129 -9.6129 -8.9721 -8.9721 -8.7712 -8.7712 1.6955 1.6955 2.6287 2.6287 2.7358 2.7358 3.0475 3.0475 3.2455 3.2455 3.3520 3.3520 3.9736 3.9736 4.8755 4.8755 9.5162 9.5162 10.2938 10.2938 10.4753 10.4753 10.6548 10.6548 k = 0.0000 0.0641-0.0000 ( 4189 PWs) bands (ev): -28.0501 -28.0501 -28.0252 -28.0252 -10.9289 -10.9289 -10.7785 -10.7785 -9.9566 -9.9566 -9.7128 -9.7128 -9.6484 -9.6484 -9.6176 -9.6176 -8.9631 -8.9631 -8.7648 -8.7648 1.7034 1.7034 2.6038 2.6038 2.7294 2.7294 3.0618 3.0618 3.2107 3.2107 3.3413 3.3413 4.0085 4.0085 4.8771 4.8771 9.5383 9.5383 10.2927 10.2927 10.4042 10.4042 10.6382 10.6382 k = 0.0000 0.0769-0.0000 ( 4197 PWs) bands (ev): -28.0499 -28.0499 -28.0251 -28.0251 -10.9296 -10.9296 -10.7807 -10.7807 -9.9592 -9.9592 -9.7199 -9.7199 -9.6501 -9.6501 -9.6214 -9.6214 -8.9524 -8.9524 -8.7573 -8.7573 1.7130 1.7130 2.5742 2.5742 2.7247 2.7247 3.0704 3.0704 3.1756 3.1756 3.3312 3.3312 4.0460 4.0460 4.8788 4.8788 9.5650 9.5650 10.2857 10.2857 10.3407 10.3407 10.6196 10.6196 k = 0.0000 0.0897-0.0000 ( 4189 PWs) bands (ev): -28.0495 -28.0495 -28.0250 -28.0250 -10.9305 -10.9305 -10.7832 -10.7832 -9.9624 -9.9624 -9.7269 -9.7269 -9.6553 -9.6553 -9.6231 -9.6231 -8.9403 -8.9403 -8.7487 -8.7487 1.7244 1.7244 2.5412 2.5412 2.7212 2.7212 3.0617 3.0617 3.1531 3.1531 3.3211 3.3211 4.0849 4.0849 4.8806 4.8806 9.5958 9.5958 10.2483 10.2483 10.3110 10.3110 10.5994 10.5994 k = 0.0000 0.1026-0.0000 ( 4191 PWs) bands (ev): -28.0491 -28.0491 -28.0250 -28.0250 -10.9315 -10.9315 -10.7862 -10.7862 -9.9661 -9.9661 -9.7335 -9.7335 -9.6636 -9.6636 -9.6232 -9.6232 -8.9269 -8.9269 -8.7392 -8.7392 1.7374 1.7374 2.5058 2.5058 2.7184 2.7184 3.0280 3.0280 3.1517 3.1517 3.3106 3.3106 4.1245 4.1245 4.8824 4.8824 9.6307 9.6307 10.1901 10.1901 10.3066 10.3066 10.5782 10.5782 k = 0.0000 0.1154-0.0000 ( 4187 PWs) bands (ev): -28.0487 -28.0487 -28.0249 -28.0249 -10.9326 -10.9326 -10.7895 -10.7895 -9.9704 -9.9704 -9.7398 -9.7398 -9.6739 -9.6739 -9.6225 -9.6225 -8.9123 -8.9123 -8.7289 -8.7289 1.7521 1.7521 2.4686 2.4686 2.7160 2.7160 2.9807 2.9807 3.1604 3.1604 3.2999 3.2999 4.1641 4.1641 4.8841 4.8841 9.6691 9.6691 10.1330 10.1330 10.3063 10.3063 10.5566 10.5566 k = 0.0000 0.1282-0.0000 ( 4177 PWs) bands (ev): -28.0482 -28.0482 -28.0248 -28.0248 -10.9339 -10.9339 -10.7932 -10.7932 -9.9753 -9.9753 -9.7454 -9.7454 -9.6856 -9.6856 -9.6214 -9.6214 -8.8968 -8.8968 -8.7179 -8.7179 1.7684 1.7684 2.4302 2.4302 2.7140 2.7140 2.9281 2.9281 3.1711 3.1711 3.2890 3.2890 4.2034 4.2034 4.8856 4.8856 9.7107 9.7107 10.0808 10.0808 10.3069 10.3069 10.5349 10.5349 k = 0.0000 0.1410-0.0000 ( 4169 PWs) bands (ev): -28.0477 -28.0477 -28.0247 -28.0247 -10.9353 -10.9353 -10.7973 -10.7973 -9.9806 -9.9806 -9.7505 -9.7505 -9.6980 -9.6980 -9.6204 -9.6204 -8.8806 -8.8806 -8.7063 -8.7063 1.7863 1.7863 2.3911 2.3911 2.7121 2.7121 2.8732 2.8732 3.1806 3.1806 3.2783 3.2783 4.2420 4.2420 4.8868 4.8868 9.7550 9.7550 10.0344 10.0344 10.3078 10.3078 10.5138 10.5138 k = 0.0000 0.1538-0.0000 ( 4169 PWs) bands (ev): -28.0472 -28.0472 -28.0246 -28.0246 -10.9368 -10.9368 -10.8017 -10.8017 -9.9864 -9.9864 -9.7551 -9.7551 -9.7110 -9.7110 -9.6196 -9.6196 -8.8637 -8.8637 -8.6944 -8.6944 1.8058 1.8058 2.3516 2.3516 2.7101 2.7101 2.8173 2.8173 3.1873 3.1873 3.2687 3.2687 4.2796 4.2796 4.8875 4.8875 9.8016 9.8016 9.9942 9.9942 10.3091 10.3091 10.4936 10.4936 k = 0.0000 0.1667-0.0000 ( 4173 PWs) bands (ev): -28.0466 -28.0466 -28.0245 -28.0245 -10.9385 -10.9385 -10.8065 -10.8065 -9.9925 -9.9925 -9.7592 -9.7592 -9.7239 -9.7239 -9.6189 -9.6189 -8.8464 -8.8464 -8.6821 -8.6821 1.8268 1.8268 2.3119 2.3119 2.7072 2.7072 2.7620 2.7620 3.1895 3.1895 3.2614 3.2614 4.3162 4.3162 4.8878 4.8878 9.8498 9.8498 9.9607 9.9607 10.3105 10.3105 10.4746 10.4746 k = 0.0000 0.1795-0.0000 ( 4175 PWs) bands (ev): -28.0459 -28.0459 -28.0244 -28.0244 -10.9403 -10.9403 -10.8117 -10.8117 -9.9989 -9.9989 -9.7636 -9.7636 -9.7362 -9.7362 -9.6185 -9.6185 -8.8287 -8.8287 -8.6697 -8.6697 1.8492 1.8492 2.2724 2.2724 2.6926 2.6926 2.7184 2.7184 3.1863 3.1863 3.2571 3.2571 4.3516 4.3516 4.8875 4.8875 9.8985 9.8985 9.9344 9.9344 10.3122 10.3122 10.4573 10.4573 k = 0.0000 0.1923-0.0000 ( 4175 PWs) bands (ev): -28.0453 -28.0453 -28.0243 -28.0243 -10.9423 -10.9423 -10.8172 -10.8172 -10.0055 -10.0055 -9.7695 -9.7695 -9.7463 -9.7463 -9.6183 -9.6183 -8.8109 -8.8109 -8.6573 -8.6573 1.8731 1.8731 2.2332 2.2332 2.6429 2.6429 2.7103 2.7103 3.1778 3.1778 3.2554 3.2554 4.3856 4.3856 4.8867 4.8867 9.9125 9.9125 9.9501 9.9501 10.3143 10.3143 10.4419 10.4419 k = 0.0000 0.2051-0.0000 ( 4173 PWs) bands (ev): -28.0446 -28.0446 -28.0242 -28.0242 -10.9443 -10.9443 -10.8230 -10.8230 -10.0120 -10.0120 -9.7787 -9.7787 -9.7525 -9.7525 -9.6183 -9.6183 -8.7929 -8.7929 -8.6448 -8.6448 1.8983 1.8983 2.1946 2.1946 2.5878 2.5878 2.7083 2.7083 3.1655 3.1655 3.2550 3.2550 4.4183 4.4183 4.8852 4.8852 9.8998 9.8998 9.9991 9.9991 10.3167 10.3167 10.4286 10.4286 k = 0.0000 0.2179-0.0000 ( 4169 PWs) bands (ev): -28.0439 -28.0439 -28.0241 -28.0241 -10.9464 -10.9464 -10.8291 -10.8291 -10.0185 -10.0185 -9.7906 -9.7906 -9.7553 -9.7553 -9.6186 -9.6186 -8.7750 -8.7750 -8.6325 -8.6325 1.9248 1.9248 2.1569 2.1569 2.5327 2.5327 2.7072 2.7072 3.1508 3.1508 3.2544 3.2544 4.4496 4.4496 4.8832 4.8832 9.8934 9.8934 10.0477 10.0477 10.3197 10.3197 10.4177 10.4177 k = 0.0000 0.2308-0.0000 ( 4157 PWs) bands (ev): -28.0431 -28.0431 -28.0241 -28.0241 -10.9486 -10.9486 -10.8355 -10.8355 -10.0248 -10.0248 -9.8038 -9.8038 -9.7560 -9.7560 -9.6191 -9.6191 -8.7571 -8.7571 -8.6204 -8.6204 1.9524 1.9524 2.1202 2.1202 2.4784 2.4784 2.7065 2.7065 3.1345 3.1345 3.2526 3.2526 4.4793 4.4793 4.8806 4.8806 9.8935 9.8935 10.0947 10.0947 10.3234 10.3234 10.4093 10.4093 k = 0.0000 0.2436-0.0000 ( 4165 PWs) bands (ev): -28.0424 -28.0424 -28.0240 -28.0240 -10.9509 -10.9509 -10.8421 -10.8421 -10.0308 -10.0308 -9.8174 -9.8174 -9.7556 -9.7556 -9.6198 -9.6198 -8.7395 -8.7395 -8.6086 -8.6086 1.9806 1.9806 2.0852 2.0852 2.4251 2.4251 2.7061 2.7061 3.1173 3.1173 3.2492 3.2492 4.5076 4.5076 4.8775 4.8775 9.8999 9.8999 10.1395 10.1395 10.3281 10.3281 10.4036 10.4036 k = 0.0000 0.2564-0.0000 ( 4161 PWs) bands (ev): -28.0416 -28.0416 -28.0240 -28.0240 -10.9532 -10.9532 -10.8489 -10.8489 -10.0364 -10.0364 -9.8311 -9.8311 -9.7543 -9.7543 -9.6208 -9.6208 -8.7221 -8.7221 -8.5972 -8.5972 2.0067 2.0067 2.0547 2.0547 2.3731 2.3731 2.7060 2.7060 3.0994 3.0994 3.2439 3.2439 4.5343 4.5343 4.8739 4.8739 9.9122 9.9122 10.1815 10.1815 10.3339 10.3339 10.4007 10.4007 k = 0.0000 0.2692-0.0000 ( 4165 PWs) bands (ev): -28.0408 -28.0408 -28.0239 -28.0239 -10.9555 -10.9555 -10.8559 -10.8559 -10.0415 -10.0415 -9.8447 -9.8447 -9.7524 -9.7524 -9.6220 -9.6220 -8.7051 -8.7051 -8.5862 -8.5862 2.0063 2.0063 2.0531 2.0531 2.3225 2.3225 2.7062 2.7062 3.0810 3.0810 3.2364 3.2364 4.5595 4.5595 4.8699 4.8699 9.9300 9.9300 10.2203 10.2203 10.3412 10.3412 10.4007 10.4007 k = 0.0000 0.2821-0.0000 ( 4165 PWs) bands (ev): -28.0400 -28.0400 -28.0239 -28.0239 -10.9578 -10.9578 -10.8630 -10.8630 -10.0461 -10.0461 -9.8582 -9.8582 -9.7501 -9.7501 -9.6234 -9.6234 -8.6885 -8.6885 -8.5757 -8.5757 1.9789 1.9789 2.0810 2.0810 2.2737 2.2737 2.7068 2.7068 3.0623 3.0623 3.2267 3.2267 4.5832 4.5832 4.8656 4.8656 9.9526 9.9526 10.2555 10.2555 10.3504 10.3504 10.4037 10.4037 k = 0.0000 0.2949-0.0000 ( 4163 PWs) bands (ev): -28.0392 -28.0392 -28.0239 -28.0239 -10.9600 -10.9600 -10.8702 -10.8702 -10.0501 -10.0501 -9.8713 -9.8713 -9.7472 -9.7472 -9.6251 -9.6251 -8.6723 -8.6723 -8.5657 -8.5657 1.9497 1.9497 2.1126 2.1126 2.2272 2.2272 2.7077 2.7077 3.0435 3.0435 3.2146 3.2146 4.6054 4.6054 4.8611 4.8611 9.9793 9.9793 10.2869 10.2869 10.3621 10.3621 10.4098 10.4098 k = 0.0000 0.3077-0.0000 ( 4171 PWs) bands (ev): -28.0384 -28.0384 -28.0239 -28.0239 -10.9622 -10.9622 -10.8774 -10.8774 -10.0535 -10.0535 -9.8842 -9.8842 -9.7440 -9.7440 -9.6269 -9.6269 -8.6567 -8.6567 -8.5563 -8.5563 1.9215 1.9215 2.1416 2.1416 2.1868 2.1868 2.7091 2.7091 3.0247 3.0247 3.2002 3.2002 4.6261 4.6261 4.8564 4.8564 10.0091 10.0091 10.3145 10.3145 10.3767 10.3767 10.4191 10.4191 k = 0.0000 0.3205-0.0000 ( 4167 PWs) bands (ev): -28.0376 -28.0376 -28.0240 -28.0240 -10.9642 -10.9642 -10.8847 -10.8847 -10.0563 -10.0563 -9.8967 -9.8967 -9.7405 -9.7405 -9.6290 -9.6290 -8.6416 -8.6416 -8.5476 -8.5476 1.8951 1.8951 2.1294 2.1294 2.1907 2.1907 2.7109 2.7109 3.0059 3.0059 3.1835 3.1835 4.6453 4.6453 4.8517 4.8517 10.0408 10.0408 10.3381 10.3381 10.3951 10.3951 10.4315 10.4315 k = 0.0000 0.3333-0.0000 ( 4163 PWs) bands (ev): -28.0368 -28.0368 -28.0241 -28.0241 -10.9661 -10.9661 -10.8919 -10.8919 -10.0584 -10.0584 -9.9088 -9.9088 -9.7367 -9.7367 -9.6313 -9.6313 -8.6271 -8.6271 -8.5396 -8.5396 1.8705 1.8705 2.0906 2.0906 2.2241 2.2241 2.7132 2.7132 2.9872 2.9872 3.1645 3.1645 4.6632 4.6632 4.8469 4.8469 10.0732 10.0732 10.3579 10.3579 10.4180 10.4180 10.4471 10.4471 k = 0.0000 0.3462-0.0000 ( 4159 PWs) bands (ev): -28.0360 -28.0360 -28.0242 -28.0242 -10.9678 -10.9678 -10.8990 -10.8990 -10.0598 -10.0598 -9.9206 -9.9206 -9.7327 -9.7327 -9.6337 -9.6337 -8.6133 -8.6133 -8.5322 -8.5322 1.8479 1.8479 2.0516 2.0516 2.2606 2.2606 2.7160 2.7160 2.9688 2.9688 3.1433 3.1433 4.6796 4.6796 4.8423 4.8423 10.1050 10.1050 10.3741 10.3741 10.4462 10.4462 10.4659 10.4659 k = 0.0000 0.3590-0.0000 ( 4151 PWs) bands (ev): -28.0352 -28.0352 -28.0243 -28.0243 -10.9692 -10.9692 -10.9060 -10.9060 -10.0605 -10.0605 -9.9319 -9.9319 -9.7285 -9.7285 -9.6364 -9.6364 -8.6002 -8.6002 -8.5257 -8.5257 1.8274 1.8274 2.0144 2.0144 2.2983 2.2983 2.7193 2.7193 2.9506 2.9506 3.1199 3.1199 4.6947 4.6947 4.8377 4.8377 10.1351 10.1351 10.3866 10.3866 10.4799 10.4799 10.4884 10.4884 k = 0.0000 0.3718-0.0000 ( 4160 PWs) bands (ev): -28.0345 -28.0345 -28.0245 -28.0245 -10.9705 -10.9705 -10.9128 -10.9128 -10.0606 -10.0606 -9.9428 -9.9428 -9.7241 -9.7241 -9.6393 -9.6393 -8.5878 -8.5878 -8.5199 -8.5199 1.8092 1.8092 1.9792 1.9792 2.3367 2.3367 2.7232 2.7232 2.9327 2.9327 3.0945 3.0945 4.7085 4.7085 4.8333 4.8333 10.1628 10.1628 10.3957 10.3957 10.5113 10.5113 10.5222 10.5222 k = 0.0000 0.3846-0.0000 ( 4160 PWs) bands (ev): -28.0337 -28.0337 -28.0247 -28.0247 -10.9714 -10.9714 -10.9194 -10.9194 -10.0600 -10.0600 -9.9533 -9.9533 -9.7196 -9.7196 -9.6424 -9.6424 -8.5762 -8.5762 -8.5149 -8.5149 1.7933 1.7933 1.9464 1.9464 2.3758 2.3758 2.7278 2.7278 2.9151 2.9151 3.0673 3.0673 4.7211 4.7211 4.8290 4.8290 10.1878 10.1878 10.4015 10.4015 10.5399 10.5399 10.5677 10.5677 k = 0.0000 0.3974-0.0000 ( 4158 PWs) bands (ev): -28.0330 -28.0330 -28.0249 -28.0249 -10.9720 -10.9720 -10.9257 -10.9257 -10.0588 -10.0588 -9.9634 -9.9634 -9.7150 -9.7150 -9.6457 -9.6457 -8.5654 -8.5654 -8.5108 -8.5108 1.7798 1.7798 1.9158 1.9158 2.4154 2.4154 2.7330 2.7330 2.8979 2.8979 3.0383 3.0383 4.7326 4.7326 4.8249 4.8249 10.2103 10.2103 10.4041 10.4041 10.5712 10.5712 10.6183 10.6183 k = 0.0000 0.4103-0.0000 ( 4166 PWs) bands (ev): -28.0323 -28.0323 -28.0252 -28.0252 -10.9723 -10.9723 -10.9317 -10.9317 -10.0569 -10.0569 -9.9730 -9.9730 -9.7104 -9.7104 -9.6491 -9.6491 -8.5554 -8.5554 -8.5075 -8.5075 1.7687 1.7687 1.8878 1.8878 2.4552 2.4552 2.7389 2.7389 2.8810 2.8810 3.0078 3.0078 4.7429 4.7429 4.8209 4.8209 10.2307 10.2307 10.4038 10.4038 10.6055 10.6055 10.6726 10.6726 k = 0.0000 0.4231-0.0000 ( 4160 PWs) bands (ev): -28.0315 -28.0315 -28.0254 -28.0254 -10.9722 -10.9722 -10.9373 -10.9373 -10.0544 -10.0544 -9.9822 -9.9822 -9.7057 -9.7057 -9.6528 -9.6528 -8.5462 -8.5462 -8.5051 -8.5051 1.7601 1.7601 1.8622 1.8622 2.4953 2.4953 2.7456 2.7456 2.8643 2.8643 2.9761 2.9761 4.7523 4.7523 4.8170 4.8170 10.2495 10.2495 10.4008 10.4008 10.6429 10.6429 10.7292 10.7292 k = 0.0000 0.4359-0.0000 ( 4162 PWs) bands (ev): -28.0309 -28.0309 -28.0258 -28.0258 -10.9718 -10.9718 -10.9426 -10.9426 -10.0513 -10.0513 -9.9909 -9.9909 -9.7009 -9.7009 -9.6566 -9.6566 -8.5378 -8.5378 -8.5035 -8.5035 1.7540 1.7540 1.8391 1.8391 2.5355 2.5355 2.7530 2.7530 2.8476 2.8476 2.9437 2.9437 4.7607 4.7607 4.8131 4.8131 10.2670 10.2670 10.3954 10.3954 10.6833 10.6833 10.7868 10.7868 k = 0.0000 0.4487-0.0000 ( 4156 PWs) bands (ev): -28.0302 -28.0302 -28.0261 -28.0261 -10.9709 -10.9709 -10.9475 -10.9475 -10.0476 -10.0476 -9.9991 -9.9991 -9.6962 -9.6962 -9.6605 -9.6605 -8.5303 -8.5303 -8.5029 -8.5029 1.7506 1.7506 1.8187 1.8187 2.5755 2.5755 2.7613 2.7613 2.8305 2.8305 2.9111 2.9111 4.7683 4.7683 4.8092 4.8092 10.2836 10.2836 10.3880 10.3880 10.7267 10.7267 10.8445 10.8445 k = 0.0000 0.4615-0.0000 ( 4156 PWs) bands (ev): -28.0296 -28.0296 -28.0265 -28.0265 -10.9695 -10.9695 -10.9520 -10.9520 -10.0434 -10.0434 -10.0069 -10.0069 -9.6915 -9.6915 -9.6646 -9.6646 -8.5238 -8.5238 -8.5031 -8.5031 1.7498 1.7498 1.8008 1.8008 2.6151 2.6151 2.7701 2.7701 2.8123 2.8123 2.8797 2.8797 4.7752 4.7752 4.8052 4.8052 10.2994 10.2994 10.3787 10.3787 10.7730 10.7730 10.9011 10.9011 k = 0.0000 0.4744-0.0000 ( 4148 PWs) bands (ev): -28.0290 -28.0290 -28.0269 -28.0269 -10.9678 -10.9678 -10.9561 -10.9561 -10.0386 -10.0386 -10.0142 -10.0142 -9.6868 -9.6868 -9.6688 -9.6688 -8.5180 -8.5180 -8.5043 -8.5043 1.7516 1.7516 1.7856 1.7856 2.6541 2.6541 2.7766 2.7766 2.7942 2.7942 2.8515 2.8515 4.7814 4.7814 4.8011 4.8011 10.3146 10.3146 10.3680 10.3680 10.8222 10.8222 10.9557 10.9557 k = 0.0000 0.4872-0.0000 ( 4156 PWs) bands (ev): -28.0284 -28.0284 -28.0274 -28.0274 -10.9655 -10.9655 -10.9597 -10.9597 -10.0333 -10.0333 -10.0211 -10.0211 -9.6822 -9.6822 -9.6732 -9.6732 -8.5132 -8.5132 -8.5064 -8.5064 1.7561 1.7561 1.7731 1.7731 2.6919 2.6919 2.7588 2.7588 2.7968 2.7968 2.8283 2.8283 4.7869 4.7869 4.7967 4.7967 10.3291 10.3291 10.3560 10.3560 10.8741 10.8741 10.9848 10.9848 k = 0.0000 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9628 -10.9628 -10.9628 -10.9628 -10.0274 -10.0274 -10.0274 -10.0274 -9.6776 -9.6776 -9.6776 -9.6776 -8.5093 -8.5093 -8.5093 -8.5093 1.7633 1.7633 1.7633 1.7633 2.7274 2.7274 2.7274 2.7274 2.8104 2.8104 2.8104 2.8104 4.7920 4.7920 4.7920 4.7920 10.3430 10.3430 10.3430 10.3430 10.9286 10.9286 10.9286 10.9286 k = 0.0000 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9628 -10.9628 -10.9628 -10.9628 -10.0274 -10.0274 -10.0274 -10.0274 -9.6776 -9.6776 -9.6776 -9.6776 -8.5093 -8.5093 -8.5093 -8.5093 1.7633 1.7633 1.7633 1.7633 2.7274 2.7274 2.7274 2.7274 2.8104 2.8104 2.8104 2.8104 4.7920 4.7920 4.7920 4.7920 10.3430 10.3430 10.3430 10.3430 10.9286 10.9286 10.9286 10.9286 k = 0.0128 0.5000-0.0000 ( 4148 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9629 -10.9629 -10.9626 -10.9626 -10.0272 -10.0272 -10.0272 -10.0272 -9.6780 -9.6780 -9.6776 -9.6776 -8.5099 -8.5099 -8.5097 -8.5097 1.7636 1.7636 1.7640 1.7640 2.7236 2.7236 2.7313 2.7313 2.8063 2.8063 2.8144 2.8144 4.7906 4.7906 4.7914 4.7914 10.3397 10.3397 10.3433 10.3433 10.9275 10.9275 10.9349 10.9349 k = 0.0256 0.5000-0.0000 ( 4146 PWs) bands (ev): -28.0278 -28.0278 -28.0278 -28.0278 -10.9627 -10.9627 -10.9622 -10.9622 -10.0266 -10.0266 -10.0265 -10.0265 -9.6787 -9.6787 -9.6781 -9.6781 -8.5115 -8.5115 -8.5111 -8.5111 1.7650 1.7650 1.7658 1.7658 2.7200 2.7200 2.7352 2.7352 2.8024 2.8024 2.8184 2.8184 4.7872 4.7872 4.7888 4.7888 10.3336 10.3336 10.3407 10.3407 10.9318 10.9318 10.9460 10.9460 k = 0.0385 0.5000-0.0000 ( 4150 PWs) bands (ev): -28.0278 -28.0278 -28.0278 -28.0278 -10.9623 -10.9623 -10.9617 -10.9617 -10.0256 -10.0256 -10.0254 -10.0254 -9.6798 -9.6798 -9.6788 -9.6788 -8.5140 -8.5140 -8.5134 -8.5134 1.7674 1.7674 1.7687 1.7687 2.7166 2.7166 2.7389 2.7389 2.7987 2.7987 2.8222 2.8222 4.7817 4.7817 4.7841 4.7841 10.3253 10.3253 10.3354 10.3354 10.9417 10.9417 10.9614 10.9614 k = 0.0513 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0277 -28.0277 -28.0277 -28.0277 -10.9617 -10.9617 -10.9609 -10.9609 -10.0241 -10.0241 -10.0238 -10.0238 -9.6813 -9.6813 -9.6800 -9.6800 -8.5175 -8.5175 -8.5167 -8.5167 1.7708 1.7708 1.7725 1.7725 2.7136 2.7136 2.7424 2.7424 2.7953 2.7953 2.8259 2.8259 4.7743 4.7743 4.7775 4.7775 10.3151 10.3151 10.3278 10.3278 10.9570 10.9570 10.9807 10.9807 k = 0.0641 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0275 -28.0275 -28.0275 -28.0275 -10.9610 -10.9610 -10.9599 -10.9599 -10.0222 -10.0222 -10.0219 -10.0219 -9.6831 -9.6831 -9.6815 -9.6815 -8.5219 -8.5219 -8.5210 -8.5210 1.7752 1.7752 1.7771 1.7771 2.7111 2.7111 2.7456 2.7456 2.7924 2.7924 2.8292 2.8292 4.7650 4.7650 4.7690 4.7690 10.3034 10.3034 10.3182 10.3182 10.9775 10.9775 11.0039 11.0039 k = 0.0769 0.5000-0.0000 ( 4156 PWs) bands (ev): -28.0274 -28.0274 -28.0274 -28.0274 -10.9601 -10.9601 -10.9588 -10.9588 -10.0198 -10.0198 -10.0195 -10.0195 -9.6853 -9.6853 -9.6834 -9.6834 -8.5272 -8.5272 -8.5261 -8.5261 1.7804 1.7804 1.7826 1.7826 2.7091 2.7091 2.7484 2.7484 2.7901 2.7901 2.8322 2.8322 4.7541 4.7541 4.7588 4.7588 10.2908 10.2908 10.3073 10.3073 11.0028 11.0028 11.0309 11.0309 k = 0.0897 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0272 -28.0272 -28.0272 -28.0272 -10.9590 -10.9590 -10.9576 -10.9576 -10.0171 -10.0171 -10.0166 -10.0166 -9.6878 -9.6878 -9.6855 -9.6855 -8.5335 -8.5335 -8.5322 -8.5322 1.7863 1.7863 1.7887 1.7887 2.7079 2.7079 2.7508 2.7508 2.7886 2.7886 2.8348 2.8348 4.7415 4.7415 4.7470 4.7470 10.2775 10.2775 10.2952 10.2952 11.0328 11.0328 11.0618 11.0618 k = 0.1026 0.5000-0.0000 ( 4156 PWs) bands (ev): -28.0270 -28.0270 -28.0270 -28.0270 -10.9578 -10.9578 -10.9562 -10.9562 -10.0139 -10.0139 -10.0134 -10.0134 -9.6905 -9.6905 -9.6880 -9.6880 -8.5406 -8.5406 -8.5392 -8.5392 1.7929 1.7929 1.7954 1.7954 2.7075 2.7075 2.7526 2.7526 2.7881 2.7881 2.8371 2.8371 4.7275 4.7275 4.7337 4.7337 10.2638 10.2638 10.2824 10.2824 11.0673 11.0673 11.0966 11.0966 k = 0.1154 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0267 -28.0267 -28.0267 -28.0267 -10.9564 -10.9564 -10.9546 -10.9546 -10.0102 -10.0102 -10.0097 -10.0097 -9.6935 -9.6935 -9.6907 -9.6907 -8.5486 -8.5486 -8.5470 -8.5470 1.8000 1.8000 1.8025 1.8025 2.7080 2.7080 2.7538 2.7538 2.7884 2.7884 2.8389 2.8389 4.7122 4.7122 4.7191 4.7191 10.2497 10.2497 10.2689 10.2689 11.1060 11.1060 11.1353 11.1353 k = 0.1282 0.5000-0.0000 ( 4168 PWs) bands (ev): -28.0265 -28.0265 -28.0265 -28.0265 -10.9550 -10.9550 -10.9530 -10.9530 -10.0062 -10.0062 -10.0056 -10.0056 -9.6967 -9.6967 -9.6936 -9.6936 -8.5574 -8.5574 -8.5557 -8.5557 1.8074 1.8074 1.8098 1.8098 2.7095 2.7095 2.7546 2.7546 2.7898 2.7898 2.8403 2.8403 4.6958 4.6958 4.7034 4.7034 10.2354 10.2354 10.2550 10.2550 11.1487 11.1487 11.1780 11.1780 k = 0.1410 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0262 -28.0262 -28.0262 -28.0262 -10.9534 -10.9534 -10.9513 -10.9513 -10.0017 -10.0017 -10.0011 -10.0011 -9.7001 -9.7001 -9.6968 -9.6968 -8.5670 -8.5670 -8.5651 -8.5651 1.8151 1.8151 1.8173 1.8173 2.7121 2.7121 2.7551 2.7551 2.7920 2.7920 2.8412 2.8412 4.6786 4.6786 4.6868 4.6868 10.2208 10.2208 10.2406 10.2406 11.1954 11.1954 11.2244 11.2244 k = 0.1538 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0259 -28.0259 -28.0259 -28.0259 -10.9518 -10.9518 -10.9495 -10.9495 -9.9969 -9.9969 -9.9962 -9.9962 -9.7037 -9.7037 -9.7001 -9.7001 -8.5774 -8.5774 -8.5754 -8.5754 1.8228 1.8228 1.8248 1.8248 2.7157 2.7157 2.7553 2.7553 2.7951 2.7951 2.8417 2.8417 4.6606 4.6606 4.6695 4.6695 10.2058 10.2058 10.2256 10.2256 11.2460 11.2460 11.2746 11.2746 k = 0.1667 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0256 -28.0256 -28.0255 -28.0255 -10.9501 -10.9501 -10.9477 -10.9477 -9.9917 -9.9917 -9.9909 -9.9909 -9.7073 -9.7073 -9.7035 -9.7035 -8.5885 -8.5885 -8.5863 -8.5863 1.8305 1.8305 1.8321 1.8321 2.7205 2.7205 2.7554 2.7554 2.7989 2.7989 2.8418 2.8418 4.6422 4.6422 4.6516 4.6516 10.1902 10.1902 10.2100 10.2100 11.3001 11.3001 11.3284 11.3284 k = 0.1795 0.5000-0.0000 ( 4168 PWs) bands (ev): -28.0252 -28.0252 -28.0252 -28.0252 -10.9484 -10.9484 -10.9459 -10.9459 -9.9860 -9.9860 -9.9853 -9.9853 -9.7111 -9.7111 -9.7070 -9.7070 -8.6002 -8.6002 -8.5979 -8.5979 1.8381 1.8381 1.8392 1.8392 2.7264 2.7264 2.7552 2.7552 2.8036 2.8036 2.8414 2.8414 4.6236 4.6236 4.6335 4.6335 10.1740 10.1740 10.1936 10.1936 11.3579 11.3579 11.3856 11.3856 k = 0.1923 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0249 -28.0249 -28.0249 -28.0249 -10.9466 -10.9466 -10.9440 -10.9440 -9.9801 -9.9801 -9.9793 -9.9793 -9.7148 -9.7148 -9.7106 -9.7106 -8.6126 -8.6126 -8.6102 -8.6102 1.8454 1.8454 1.8460 1.8460 2.7334 2.7334 2.7549 2.7549 2.8091 2.8091 2.8406 2.8406 4.6050 4.6050 4.6154 4.6154 10.1570 10.1570 10.1763 10.1763 11.4190 11.4190 11.4463 11.4463 k = 0.2051 0.5000-0.0000 ( 4168 PWs) bands (ev): -28.0245 -28.0245 -28.0245 -28.0245 -10.9449 -10.9449 -10.9422 -10.9422 -9.9738 -9.9738 -9.9730 -9.9730 -9.7186 -9.7186 -9.7142 -9.7142 -8.6255 -8.6255 -8.6230 -8.6230 1.8523 1.8523 1.8524 1.8524 2.7413 2.7413 2.7545 2.7545 2.8154 2.8154 2.8395 2.8395 4.5865 4.5865 4.5974 4.5974 10.1390 10.1390 10.1579 10.1579 11.4834 11.4834 11.5102 11.5102 k = 0.2179 0.5000-0.0000 ( 4164 PWs) bands (ev): -28.0241 -28.0241 -28.0241 -28.0241 -10.9432 -10.9432 -10.9404 -10.9404 -9.9672 -9.9672 -9.9663 -9.9663 -9.7223 -9.7223 -9.7177 -9.7177 -8.6389 -8.6389 -8.6363 -8.6363 1.8582 1.8582 1.8589 1.8589 2.7501 2.7501 2.7538 2.7538 2.8225 2.8225 2.8381 2.8381 4.5685 4.5685 4.5797 4.5797 10.1200 10.1200 10.1383 10.1383 11.5509 11.5509 11.5772 11.5772 k = 0.2308 0.5000-0.0000 ( 4158 PWs) bands (ev): -28.0238 -28.0238 -28.0238 -28.0238 -10.9414 -10.9414 -10.9386 -10.9386 -9.9603 -9.9603 -9.9595 -9.9595 -9.7259 -9.7259 -9.7212 -9.7212 -8.6528 -8.6528 -8.6501 -8.6501 1.8636 1.8636 1.8650 1.8650 2.7528 2.7528 2.7594 2.7594 2.8302 2.8302 2.8365 2.8365 4.5511 4.5511 4.5627 4.5627 10.0997 10.0997 10.1174 10.1174 11.6213 11.6213 11.6471 11.6471 k = 0.2436 0.5000-0.0000 ( 4150 PWs) bands (ev): -28.0234 -28.0234 -28.0234 -28.0234 -10.9398 -10.9398 -10.9369 -10.9369 -9.9532 -9.9532 -9.9524 -9.9524 -9.7293 -9.7293 -9.7245 -9.7245 -8.6670 -8.6670 -8.6642 -8.6642 1.8685 1.8685 1.8705 1.8705 2.7517 2.7517 2.7690 2.7690 2.8350 2.8350 2.8386 2.8386 4.5346 4.5346 4.5463 4.5463 10.0781 10.0781 10.0952 10.0952 11.6946 11.6946 11.7198 11.7198 k = 0.2564 0.5000-0.0000 ( 4150 PWs) bands (ev): -28.0230 -28.0230 -28.0230 -28.0230 -10.9382 -10.9382 -10.9353 -10.9353 -9.9459 -9.9459 -9.9451 -9.9451 -9.7326 -9.7326 -9.7277 -9.7277 -8.6815 -8.6815 -8.6787 -8.6787 1.8728 1.8728 1.8756 1.8756 2.7503 2.7503 2.7784 2.7784 2.8339 2.8339 2.8474 2.8474 4.5190 4.5190 4.5309 4.5309 10.0552 10.0552 10.0717 10.0717 11.7706 11.7706 11.7950 11.7950 k = 0.2692 0.5000-0.0000 ( 4136 PWs) bands (ev): -28.0226 -28.0226 -28.0226 -28.0226 -10.9367 -10.9367 -10.9337 -10.9337 -9.9384 -9.9384 -9.9377 -9.9377 -9.7356 -9.7356 -9.7307 -9.7307 -8.6962 -8.6962 -8.6933 -8.6933 1.8766 1.8766 1.8801 1.8801 2.7487 2.7487 2.7867 2.7867 2.8338 2.8338 2.8566 2.8566 4.5046 4.5046 4.5166 4.5166 10.0312 10.0312 10.0468 10.0468 11.8489 11.8489 11.8726 11.8726 k = 0.2821 0.5000-0.0000 ( 4136 PWs) bands (ev): -28.0222 -28.0222 -28.0222 -28.0222 -10.9352 -10.9352 -10.9323 -10.9323 -9.9309 -9.9309 -9.9302 -9.9302 -9.7384 -9.7384 -9.7334 -9.7334 -8.7110 -8.7110 -8.7081 -8.7081 1.8800 1.8800 1.8841 1.8841 2.7470 2.7470 2.7929 2.7929 2.8357 2.8357 2.8659 2.8659 4.4915 4.4915 4.5035 4.5035 10.0060 10.0060 10.0208 10.0208 11.9295 11.9295 11.9524 11.9524 k = 0.2949 0.5000-0.0000 ( 4140 PWs) bands (ev): -28.0219 -28.0219 -28.0219 -28.0219 -10.9338 -10.9338 -10.9310 -10.9310 -9.9234 -9.9234 -9.9228 -9.9228 -9.7408 -9.7408 -9.7358 -9.7358 -8.7259 -8.7259 -8.7230 -8.7230 1.8830 1.8830 1.8876 1.8876 2.7451 2.7451 2.7959 2.7959 2.8406 2.8406 2.8752 2.8752 4.4798 4.4798 4.4916 4.4916 9.9798 9.9798 9.9938 9.9938 12.0121 12.0121 12.0341 12.0341 k = 0.3077 0.5000-0.0000 ( 4136 PWs) bands (ev): -28.0215 -28.0215 -28.0215 -28.0215 -10.9326 -10.9326 -10.9298 -10.9298 -9.9160 -9.9160 -9.9154 -9.9154 -9.7429 -9.7429 -9.7379 -9.7379 -8.7407 -8.7407 -8.7379 -8.7379 1.8856 1.8856 1.8906 1.8906 2.7431 2.7431 2.7959 2.7959 2.8480 2.8480 2.8844 2.8844 4.4695 4.4695 4.4811 4.4811 9.9529 9.9529 9.9660 9.9660 12.0964 12.0964 12.1173 12.1173 k = 0.3205 0.5000-0.0000 ( 4140 PWs) bands (ev): -28.0211 -28.0211 -28.0211 -28.0211 -10.9314 -10.9314 -10.9287 -10.9287 -9.9088 -9.9088 -9.9082 -9.9082 -9.7446 -9.7446 -9.7396 -9.7396 -8.7554 -8.7554 -8.7525 -8.7525 1.8879 1.8879 1.8933 1.8933 2.7410 2.7410 2.7938 2.7938 2.8569 2.8569 2.8932 2.8932 4.4606 4.4606 4.4720 4.4720 9.9255 9.9255 9.9377 9.9377 12.1821 12.1821 12.2019 12.2019 k = 0.3333 0.5000-0.0000 ( 4132 PWs) bands (ev): -28.0208 -28.0208 -28.0208 -28.0208 -10.9303 -10.9303 -10.9277 -10.9277 -9.9018 -9.9018 -9.9013 -9.9013 -9.7458 -9.7458 -9.7409 -9.7409 -8.7698 -8.7698 -8.7670 -8.7670 1.8899 1.8899 1.8955 1.8955 2.7390 2.7390 2.7904 2.7904 2.8665 2.8665 2.9016 2.9016 4.4533 4.4533 4.4643 4.4643 9.8979 9.8979 9.9092 9.9092 12.2687 12.2687 12.2873 12.2873 k = 0.3462 0.5000-0.0000 ( 4132 PWs) bands (ev): -28.0205 -28.0205 -28.0205 -28.0205 -10.9293 -10.9293 -10.9268 -10.9268 -9.8951 -9.8951 -9.8947 -9.8947 -9.7466 -9.7466 -9.7418 -9.7418 -8.7838 -8.7838 -8.7811 -8.7811 1.8916 1.8916 1.8974 1.8974 2.7370 2.7370 2.7864 2.7864 2.8761 2.8761 2.9095 2.9095 4.4474 4.4474 4.4579 4.4579 9.8704 9.8704 9.8808 9.8808 12.3560 12.3560 12.3731 12.3731 k = 0.3590 0.5000-0.0000 ( 4142 PWs) bands (ev): -28.0202 -28.0202 -28.0202 -28.0202 -10.9284 -10.9284 -10.9260 -10.9260 -9.8889 -9.8889 -9.8886 -9.8886 -9.7469 -9.7469 -9.7423 -9.7423 -8.7973 -8.7973 -8.7947 -8.7947 1.8932 1.8932 1.8990 1.8990 2.7351 2.7351 2.7818 2.7818 2.8854 2.8854 2.9166 2.9166 4.4428 4.4428 4.4528 4.4528 9.8435 9.8435 9.8530 9.8530 12.4433 12.4433 12.4589 12.4589 k = 0.3718 0.5000-0.0000 ( 4138 PWs) bands (ev): -28.0199 -28.0199 -28.0199 -28.0199 -10.9276 -10.9276 -10.9254 -10.9254 -9.8831 -9.8831 -9.8829 -9.8829 -9.7468 -9.7468 -9.7423 -9.7423 -8.8102 -8.8102 -8.8077 -8.8077 1.8946 1.8946 1.9004 1.9004 2.7334 2.7334 2.7770 2.7770 2.8942 2.8942 2.9230 2.9230 4.4394 4.4394 4.4488 4.4488 9.8174 9.8174 9.8260 9.8260 12.5301 12.5301 12.5440 12.5440 k = 0.3846 0.5000-0.0000 ( 4138 PWs) bands (ev): -28.0196 -28.0196 -28.0196 -28.0196 -10.9269 -10.9269 -10.9248 -10.9248 -9.8780 -9.8780 -9.8778 -9.8778 -9.7462 -9.7462 -9.7420 -9.7420 -8.8223 -8.8223 -8.8200 -8.8200 1.8958 1.8958 1.9014 1.9014 2.7319 2.7319 2.7721 2.7721 2.9024 2.9024 2.9287 2.9287 4.4372 4.4372 4.4459 4.4459 9.7925 9.7925 9.8002 9.8002 12.6159 12.6159 12.6277 12.6277 k = 0.3974 0.5000-0.0000 ( 4130 PWs) bands (ev): -28.0194 -28.0194 -28.0194 -28.0194 -10.9262 -10.9262 -10.9244 -10.9244 -9.8734 -9.8734 -9.8733 -9.8733 -9.7452 -9.7452 -9.7413 -9.7413 -8.8336 -8.8336 -8.8314 -8.8314 1.8970 1.8970 1.9023 1.9023 2.7307 2.7307 2.7671 2.7671 2.9099 2.9099 2.9335 2.9335 4.4359 4.4359 4.4438 4.4438 9.7691 9.7691 9.7760 9.7760 12.6998 12.6998 12.7093 12.7093 k = 0.4103 0.5000-0.0000 ( 4124 PWs) bands (ev): -28.0192 -28.0192 -28.0192 -28.0192 -10.9257 -10.9257 -10.9240 -10.9240 -9.8695 -9.8695 -9.8694 -9.8694 -9.7439 -9.7439 -9.7403 -9.7403 -8.8439 -8.8439 -8.8419 -8.8419 1.8980 1.8980 1.9029 1.9029 2.7298 2.7298 2.7622 2.7622 2.9166 2.9166 2.9375 2.9375 4.4354 4.4354 4.4425 4.4425 9.7477 9.7477 9.7537 9.7537 12.7810 12.7810 12.7877 12.7877 k = 0.4231 0.5000-0.0000 ( 4120 PWs) bands (ev): -28.0190 -28.0190 -28.0190 -28.0190 -10.9252 -10.9252 -10.9237 -10.9237 -9.8662 -9.8662 -9.8662 -9.8662 -9.7423 -9.7423 -9.7392 -9.7392 -8.8531 -8.8531 -8.8513 -8.8513 1.8990 1.8990 1.9034 1.9034 2.7293 2.7293 2.7575 2.7575 2.9226 2.9226 2.9406 2.9406 4.4355 4.4355 4.4417 4.4417 9.7285 9.7285 9.7336 9.7336 12.8586 12.8586 12.8618 12.8618 k = 0.4359 0.5000-0.0000 ( 4124 PWs) bands (ev): -28.0188 -28.0188 -28.0188 -28.0188 -10.9248 -10.9248 -10.9235 -10.9235 -9.8635 -9.8635 -9.8635 -9.8635 -9.7407 -9.7407 -9.7380 -9.7380 -8.8610 -8.8610 -8.8596 -8.8596 1.8999 1.8999 1.9037 1.9037 2.7291 2.7291 2.7529 2.7529 2.9279 2.9279 2.9430 2.9430 4.4360 4.4360 4.4412 4.4412 9.7118 9.7118 9.7160 9.7160 12.9308 12.9308 12.9316 12.9316 k = 0.4487 0.5000-0.0000 ( 4116 PWs) bands (ev): -28.0187 -28.0187 -28.0187 -28.0187 -10.9244 -10.9244 -10.9234 -10.9234 -9.8613 -9.8613 -9.8613 -9.8613 -9.7391 -9.7391 -9.7369 -9.7369 -8.8677 -8.8677 -8.8665 -8.8665 1.9007 1.9007 1.9039 1.9039 2.7294 2.7294 2.7487 2.7487 2.9325 2.9325 2.9447 2.9447 4.4368 4.4368 4.4410 4.4410 9.6979 9.6979 9.7012 9.7012 12.9937 12.9937 12.9988 12.9988 k = 0.4615 0.5000-0.0000 ( 4112 PWs) bands (ev): -28.0186 -28.0186 -28.0186 -28.0186 -10.9241 -10.9241 -10.9233 -10.9233 -9.8597 -9.8597 -9.8597 -9.8597 -9.7377 -9.7377 -9.7360 -9.7360 -8.8729 -8.8729 -8.8720 -8.8720 1.9015 1.9015 1.9039 1.9039 2.7302 2.7302 2.7447 2.7447 2.9364 2.9364 2.9455 2.9455 4.4377 4.4377 4.4409 4.4409 9.6869 9.6869 9.6894 9.6894 13.0506 13.0506 13.0591 13.0591 k = 0.4744 0.5000-0.0000 ( 4112 PWs) bands (ev): -28.0185 -28.0185 -28.0185 -28.0185 -10.9238 -10.9238 -10.9233 -10.9233 -9.8586 -9.8586 -9.8586 -9.8586 -9.7365 -9.7365 -9.7353 -9.7353 -8.8766 -8.8766 -8.8760 -8.8760 1.9021 1.9021 1.9038 1.9038 2.7314 2.7314 2.7412 2.7412 2.9396 2.9396 2.9457 2.9457 4.4386 4.4386 4.4408 4.4408 9.6791 9.6791 9.6807 9.6807 13.1009 13.1009 13.1113 13.1113 k = 0.4872 0.5000-0.0000 ( 4112 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9236 -10.9236 -10.9234 -10.9234 -9.8580 -9.8580 -9.8580 -9.8580 -9.7356 -9.7356 -9.7350 -9.7350 -8.8789 -8.8789 -8.8785 -8.8785 1.9027 1.9027 1.9035 1.9035 2.7331 2.7331 2.7380 2.7380 2.9421 2.9421 2.9452 2.9452 4.4394 4.4394 4.4405 4.4405 9.6745 9.6745 9.6753 9.6753 13.1423 13.1423 13.1514 13.1514 k = 0.5000 0.5000-0.0000 ( 4120 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9235 -10.9235 -10.9235 -10.9235 -9.8577 -9.8577 -9.8577 -9.8577 -9.7351 -9.7351 -9.7351 -9.7351 -8.8795 -8.8795 -8.8795 -8.8795 1.9032 1.9032 1.9032 1.9032 2.7353 2.7353 2.7353 2.7353 2.9440 2.9440 2.9440 2.9440 4.4400 4.4400 4.4400 4.4400 9.6732 9.6732 9.6732 9.6732 13.1650 13.1650 13.1650 13.1650 k = 0.5000 0.5000-0.0000 ( 4120 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9235 -10.9235 -10.9235 -10.9235 -9.8577 -9.8577 -9.8577 -9.8577 -9.7351 -9.7351 -9.7351 -9.7351 -8.8795 -8.8795 -8.8795 -8.8795 1.9032 1.9032 1.9032 1.9032 2.7353 2.7353 2.7353 2.7353 2.9440 2.9440 2.9440 2.9440 4.4400 4.4400 4.4400 4.4400 9.6732 9.6732 9.6732 9.6732 13.1650 13.1650 13.1650 13.1650 k = 0.4909 0.4909-0.0000 ( 4112 PWs) bands (ev): -28.0185 -28.0185 -28.0184 -28.0184 -10.9236 -10.9236 -10.9234 -10.9234 -9.8581 -9.8581 -9.8579 -9.8579 -9.7357 -9.7357 -9.7349 -9.7349 -8.8789 -8.8789 -8.8785 -8.8785 1.9024 1.9024 1.9038 1.9038 2.7331 2.7331 2.7380 2.7380 2.9420 2.9420 2.9453 2.9453 4.4392 4.4392 4.4407 4.4407 9.6742 9.6742 9.6756 9.6756 13.1351 13.1351 13.1591 13.1591 k = 0.4818 0.4818-0.0000 ( 4112 PWs) bands (ev): -28.0185 -28.0185 -28.0184 -28.0184 -10.9239 -10.9239 -10.9233 -10.9233 -9.8590 -9.8590 -9.8582 -9.8582 -9.7373 -9.7373 -9.7345 -9.7345 -8.8769 -8.8769 -8.8758 -8.8758 1.9007 1.9007 1.9052 1.9052 2.7312 2.7312 2.7412 2.7412 2.9389 2.9389 2.9465 2.9465 4.4372 4.4372 4.4421 4.4421 9.6777 9.6777 9.6822 9.6822 13.0775 13.0775 13.1317 13.1317 k = 0.4727 0.4727-0.0000 ( 4112 PWs) bands (ev): -28.0187 -28.0187 -28.0185 -28.0185 -10.9241 -10.9241 -10.9233 -10.9233 -9.8605 -9.8605 -9.8588 -9.8588 -9.7399 -9.7399 -9.7339 -9.7339 -8.8736 -8.8736 -8.8713 -8.8713 1.8980 1.8980 1.9075 1.9075 2.7295 2.7295 2.7449 2.7449 2.9344 2.9344 2.9479 2.9479 4.4341 4.4341 4.4445 4.4445 9.6834 9.6834 9.6930 9.6930 13.0113 13.0113 13.0818 13.0818 k = 0.4636 0.4636-0.0000 ( 4110 PWs) bands (ev): -28.0188 -28.0188 -28.0185 -28.0185 -10.9245 -10.9245 -10.9232 -10.9232 -9.8626 -9.8626 -9.8597 -9.8597 -9.7434 -9.7434 -9.7331 -9.7331 -8.8690 -8.8690 -8.8651 -8.8651 1.8944 1.8944 1.9108 1.9108 2.7276 2.7276 2.7488 2.7488 2.9288 2.9288 2.9496 2.9496 4.4301 4.4301 4.4477 4.4477 9.6912 9.6912 9.7078 9.7078 12.9428 12.9428 13.0233 13.0233 k = 0.4545 0.4545-0.0000 ( 4118 PWs) bands (ev): -28.0191 -28.0191 -28.0186 -28.0186 -10.9250 -10.9250 -10.9232 -10.9232 -9.8652 -9.8652 -9.8607 -9.8607 -9.7477 -9.7477 -9.7321 -9.7321 -8.8633 -8.8633 -8.8574 -8.8574 1.8901 1.8901 1.9150 1.9150 2.7253 2.7253 2.7528 2.7528 2.9223 2.9223 2.9519 2.9519 4.4252 4.4252 4.4519 4.4519 9.7008 9.7008 9.7263 9.7263 12.8752 12.8752 12.9645 12.9645 k = 0.4455 0.4455-0.0000 ( 4122 PWs) bands (ev): -28.0194 -28.0194 -28.0186 -28.0186 -10.9256 -10.9256 -10.9231 -10.9231 -9.8683 -9.8683 -9.8620 -9.8620 -9.7527 -9.7527 -9.7308 -9.7308 -8.8565 -8.8565 -8.8483 -8.8483 1.8854 1.8854 1.9201 1.9201 2.7220 2.7220 2.7566 2.7566 2.9154 2.9154 2.9546 2.9546 4.4198 4.4198 4.4570 4.4570 9.7123 9.7123 9.7480 9.7480 12.8102 12.8102 12.9082 12.9082 k = 0.4364 0.4364-0.0000 ( 4134 PWs) bands (ev): -28.0197 -28.0197 -28.0187 -28.0187 -10.9262 -10.9262 -10.9229 -10.9229 -9.8717 -9.8717 -9.8636 -9.8636 -9.7582 -9.7582 -9.7293 -9.7293 -8.8488 -8.8488 -8.8379 -8.8379 1.8804 1.8804 1.9261 1.9261 2.7173 2.7173 2.7597 2.7597 2.9089 2.9089 2.9578 2.9578 4.4142 4.4142 4.4630 4.4630 9.7252 9.7252 9.7726 9.7726 12.7494 12.7494 12.8551 12.8551 k = 0.4273 0.4273-0.0000 ( 4132 PWs) bands (ev): -28.0201 -28.0201 -28.0188 -28.0188 -10.9270 -10.9270 -10.9227 -10.9227 -9.8755 -9.8755 -9.8653 -9.8653 -9.7642 -9.7642 -9.7276 -9.7276 -8.8403 -8.8403 -8.8264 -8.8264 1.8754 1.8754 1.9331 1.9331 2.7106 2.7106 2.7615 2.7615 2.9034 2.9034 2.9615 2.9615 4.4087 4.4087 4.4698 4.4698 9.7394 9.7394 9.7994 9.7994 12.6939 12.6939 12.8051 12.8051 k = 0.4182 0.4182-0.0000 ( 4142 PWs) bands (ev): -28.0205 -28.0205 -28.0188 -28.0188 -10.9278 -10.9278 -10.9224 -10.9224 -9.8794 -9.8794 -9.8673 -9.8673 -9.7705 -9.7705 -9.7257 -9.7257 -8.8311 -8.8311 -8.8140 -8.8140 1.8707 1.8707 1.9409 1.9409 2.7016 2.7016 2.7616 2.7616 2.8998 2.8998 2.9658 2.9658 4.4036 4.4036 4.4776 4.4776 9.7547 9.7547 9.8278 9.8278 12.6448 12.6448 12.7564 12.7564 k = 0.4091 0.4091-0.0000 ( 4142 PWs) bands (ev): -28.0210 -28.0210 -28.0189 -28.0189 -10.9288 -10.9288 -10.9220 -10.9220 -9.8836 -9.8836 -9.8695 -9.8695 -9.7769 -9.7769 -9.7236 -9.7236 -8.8213 -8.8213 -8.8008 -8.8008 1.8665 1.8665 1.9496 1.9496 2.6900 2.6900 2.7594 2.7594 2.8985 2.8985 2.9707 2.9707 4.3992 4.3992 4.4862 4.4862 9.7710 9.7710 9.8571 9.8571 12.6026 12.6026 12.6910 12.6910 k = 0.4000 0.4000-0.0000 ( 4142 PWs) bands (ev): -28.0215 -28.0215 -28.0190 -28.0190 -10.9298 -10.9298 -10.9215 -10.9215 -9.8880 -9.8880 -9.8719 -9.8719 -9.7833 -9.7833 -9.7213 -9.7213 -8.8112 -8.8112 -8.7871 -8.7871 1.8630 1.8630 1.9592 1.9592 2.6757 2.6757 2.7545 2.7545 2.9000 2.9000 2.9761 2.9761 4.3958 4.3958 4.4956 4.4956 9.7881 9.7881 9.8867 9.8867 12.5676 12.5676 12.5994 12.5994 k = 0.3909 0.3909-0.0000 ( 4140 PWs) bands (ev): -28.0220 -28.0220 -28.0191 -28.0191 -10.9309 -10.9309 -10.9208 -10.9208 -9.8924 -9.8924 -9.8744 -9.8744 -9.7895 -9.7895 -9.7188 -9.7188 -8.8009 -8.8009 -8.7729 -8.7729 1.8606 1.8606 1.9697 1.9697 2.6589 2.6589 2.7466 2.7466 2.9042 2.9042 2.9823 2.9823 4.3936 4.3936 4.5058 4.5058 9.8059 9.8059 9.9157 9.9157 12.5018 12.5018 12.5387 12.5387 k = 0.3818 0.3818-0.0000 ( 4140 PWs) bands (ev): -28.0226 -28.0226 -28.0193 -28.0193 -10.9320 -10.9320 -10.9200 -10.9200 -9.8970 -9.8970 -9.8770 -9.8770 -9.7954 -9.7954 -9.7162 -9.7162 -8.7905 -8.7905 -8.7586 -8.7586 1.8593 1.8593 1.9810 1.9810 2.6400 2.6400 2.7357 2.7357 2.9106 2.9106 2.9892 2.9892 4.3928 4.3928 4.5169 4.5169 9.8245 9.8245 9.9434 9.9434 12.4018 12.4018 12.5027 12.5027 k = 0.3727 0.3727-0.0000 ( 4142 PWs) bands (ev): -28.0233 -28.0233 -28.0194 -28.0194 -10.9332 -10.9332 -10.9189 -10.9189 -9.9016 -9.9016 -9.8797 -9.8797 -9.8009 -9.8009 -9.7134 -9.7134 -8.7802 -8.7802 -8.7442 -8.7442 1.8595 1.8595 1.9931 1.9931 2.6195 2.6195 2.7218 2.7218 2.9190 2.9190 2.9968 2.9968 4.3934 4.3934 4.5287 4.5287 9.8439 9.8439 9.9693 9.9693 12.2998 12.2998 12.4210 12.4210 k = 0.3636 0.3636-0.0000 ( 4138 PWs) bands (ev): -28.0239 -28.0239 -28.0195 -28.0195 -10.9344 -10.9344 -10.9177 -10.9177 -9.9064 -9.9064 -9.8822 -9.8822 -9.8058 -9.8058 -9.7104 -9.7104 -8.7701 -8.7701 -8.7299 -8.7299 1.8612 1.8612 2.0061 2.0061 2.5976 2.5976 2.7049 2.7049 2.9289 2.9289 3.0053 3.0053 4.3956 4.3956 4.5412 4.5412 9.8642 9.8642 9.9927 9.9927 12.1964 12.1964 12.3100 12.3100 k = 0.3545 0.3545-0.0000 ( 4146 PWs) bands (ev): -28.0246 -28.0246 -28.0197 -28.0197 -10.9357 -10.9357 -10.9162 -10.9162 -9.9114 -9.9114 -9.8845 -9.8845 -9.8102 -9.8102 -9.7073 -9.7073 -8.7603 -8.7603 -8.7158 -8.7158 1.8646 1.8646 2.0199 2.0199 2.5749 2.5749 2.6851 2.6851 2.9398 2.9398 3.0147 3.0147 4.3991 4.3991 4.5543 4.5543 9.8856 9.8856 10.0132 10.0132 12.0922 12.0922 12.1926 12.1926 k = 0.3455 0.3455-0.0000 ( 4146 PWs) bands (ev): -28.0254 -28.0254 -28.0198 -28.0198 -10.9369 -10.9369 -10.9145 -10.9145 -9.9166 -9.9166 -9.8864 -9.8864 -9.8140 -9.8140 -9.7041 -9.7041 -8.7511 -8.7511 -8.7021 -8.7021 1.8698 1.8698 2.0344 2.0344 2.5518 2.5518 2.6627 2.6627 2.9514 2.9514 3.0251 3.0251 4.4040 4.4040 4.5681 4.5681 9.9082 9.9082 10.0305 10.0305 11.9875 11.9875 12.0738 12.0738 k = 0.3364 0.3364-0.0000 ( 4148 PWs) bands (ev): -28.0262 -28.0262 -28.0200 -28.0200 -10.9382 -10.9382 -10.9125 -10.9125 -9.9221 -9.9221 -9.8878 -9.8878 -9.8171 -9.8171 -9.7007 -9.7007 -8.7424 -8.7424 -8.6890 -8.6890 1.8771 1.8771 2.0497 2.0497 2.5285 2.5285 2.6378 2.6378 2.9634 2.9634 3.0366 3.0366 4.4099 4.4099 4.5825 4.5825 9.9323 9.9323 10.0444 10.0444 11.8828 11.8828 11.9554 11.9554 k = 0.3273 0.3273-0.0000 ( 4156 PWs) bands (ev): -28.0270 -28.0270 -28.0201 -28.0201 -10.9394 -10.9394 -10.9103 -10.9103 -9.9276 -9.9276 -9.8887 -9.8887 -9.8196 -9.8196 -9.6973 -9.6973 -8.7345 -8.7345 -8.6766 -8.6766 1.8864 1.8864 2.0657 2.0657 2.5055 2.5055 2.6107 2.6107 2.9756 2.9756 3.0492 3.0492 4.4168 4.4168 4.5973 4.5973 9.9581 9.9581 10.0551 10.0551 11.7787 11.7787 11.8385 11.8385 k = 0.3182 0.3182-0.0000 ( 4156 PWs) bands (ev): -28.0278 -28.0278 -28.0203 -28.0203 -10.9405 -10.9405 -10.9078 -10.9078 -9.9333 -9.9333 -9.8889 -9.8889 -9.8216 -9.8216 -9.6938 -9.6938 -8.7273 -8.7273 -8.6649 -8.6649 1.8978 1.8978 2.0824 2.0824 2.4829 2.4829 2.5817 2.5817 2.9878 2.9878 3.0627 3.0627 4.4243 4.4243 4.6126 4.6126 9.9857 9.9857 10.0626 10.0626 11.6753 11.6753 11.7236 11.7236 k = 0.3091 0.3091-0.0000 ( 4160 PWs) bands (ev): -28.0286 -28.0286 -28.0205 -28.0205 -10.9416 -10.9416 -10.9050 -10.9050 -9.9391 -9.9391 -9.8885 -9.8885 -9.8229 -9.8229 -9.6902 -9.6902 -8.7211 -8.7211 -8.6540 -8.6540 1.9115 1.9115 2.0998 2.0998 2.4609 2.4609 2.5512 2.5512 3.0000 3.0000 3.0772 3.0772 4.4322 4.4322 4.6283 4.6283 10.0151 10.0151 10.0676 10.0676 11.5732 11.5732 11.6114 11.6114 k = 0.3000 0.3000-0.0000 ( 4148 PWs) bands (ev): -28.0295 -28.0295 -28.0207 -28.0207 -10.9426 -10.9426 -10.9019 -10.9019 -9.9448 -9.9448 -9.8874 -9.8874 -9.8237 -9.8237 -9.6865 -9.6865 -8.7159 -8.7159 -8.6442 -8.6442 1.9273 1.9273 2.1178 2.1178 2.4396 2.4396 2.5197 2.5197 3.0120 3.0120 3.0925 3.0925 4.4402 4.4402 4.6443 4.6443 10.0452 10.0452 10.0716 10.0716 11.4728 11.4728 11.5023 11.5023 k = 0.2909 0.2909-0.0000 ( 4148 PWs) bands (ev): -28.0304 -28.0304 -28.0208 -28.0208 -10.9435 -10.9435 -10.8986 -10.8986 -9.9504 -9.9504 -9.8856 -9.8856 -9.8240 -9.8240 -9.6828 -9.6828 -8.7118 -8.7118 -8.6353 -8.6353 1.9454 1.9454 2.1363 2.1363 2.4189 2.4189 2.4878 2.4878 3.0240 3.0240 3.1084 3.1084 4.4479 4.4479 4.6604 4.6604 10.0627 10.0627 10.0886 10.0886 11.3743 11.3743 11.3968 11.3968 k = 0.2818 0.2818-0.0000 ( 4152 PWs) bands (ev): -28.0313 -28.0313 -28.0210 -28.0210 -10.9443 -10.9443 -10.8950 -10.8950 -9.9558 -9.9558 -9.8831 -9.8831 -9.8237 -9.8237 -9.6791 -9.6791 -8.7088 -8.7088 -8.6276 -8.6276 1.9657 1.9657 2.1554 2.1554 2.3984 2.3984 2.4564 2.4564 3.0359 3.0359 3.1246 3.1246 4.4551 4.4551 4.6767 4.6767 10.0630 10.0630 10.1235 10.1235 11.2781 11.2781 11.2952 11.2952 k = 0.2727 0.2727-0.0000 ( 4164 PWs) bands (ev): -28.0322 -28.0322 -28.0212 -28.0212 -10.9449 -10.9449 -10.8911 -10.8911 -9.9610 -9.9610 -9.8799 -9.8799 -9.8229 -9.8229 -9.6754 -9.6754 -8.7071 -8.7071 -8.6210 -8.6210 1.9881 1.9881 2.1749 2.1749 2.3771 2.3771 2.4274 2.4274 3.0478 3.0478 3.1410 3.1410 4.4614 4.4614 4.6931 4.6931 10.0600 10.0600 10.1632 10.1632 11.1847 11.1847 11.1980 11.1980 k = 0.2636 0.2636-0.0000 ( 4174 PWs) bands (ev): -28.0331 -28.0331 -28.0214 -28.0214 -10.9455 -10.9455 -10.8869 -10.8869 -9.9658 -9.9658 -9.8761 -9.8761 -9.8216 -9.8216 -9.6717 -9.6717 -8.7065 -8.7065 -8.6157 -8.6157 2.0122 2.0122 2.1947 2.1947 2.3534 2.3534 2.4031 2.4031 3.0598 3.0598 3.1573 3.1573 4.4667 4.4667 4.7093 4.7093 10.0555 10.0555 10.2060 10.2060 11.0943 11.0943 11.1054 11.1054 k = 0.2545 0.2545-0.0000 ( 4172 PWs) bands (ev): -28.0340 -28.0340 -28.0216 -28.0216 -10.9459 -10.9459 -10.8825 -10.8825 -9.9703 -9.9703 -9.8717 -9.8717 -9.8198 -9.8198 -9.6680 -9.6680 -8.7073 -8.7073 -8.6116 -8.6116 2.0377 2.0377 2.2144 2.2144 2.3269 2.3269 2.3848 2.3848 3.0718 3.0718 3.1732 3.1732 4.4708 4.4708 4.7253 4.7253 10.0504 10.0504 10.2516 10.2516 11.0074 11.0074 11.0177 11.0177 k = 0.2455 0.2455-0.0000 ( 4180 PWs) bands (ev): -28.0349 -28.0349 -28.0218 -28.0218 -10.9461 -10.9461 -10.8779 -10.8779 -9.9743 -9.9743 -9.8668 -9.8668 -9.8175 -9.8175 -9.6643 -9.6643 -8.7093 -8.7093 -8.6088 -8.6088 2.0636 2.0636 2.2334 2.2334 2.3004 2.3004 2.3719 2.3719 3.0839 3.0839 3.1887 3.1887 4.4733 4.4733 4.7411 4.7411 10.0450 10.0450 10.2998 10.2998 10.9241 10.9241 10.9352 10.9352 k = 0.2364 0.2364-0.0000 ( 4184 PWs) bands (ev): -28.0359 -28.0359 -28.0220 -28.0220 -10.9462 -10.9462 -10.8731 -10.8731 -9.9779 -9.9779 -9.8613 -9.8613 -9.8146 -9.8146 -9.6607 -9.6607 -8.7126 -8.7126 -8.6073 -8.6073 2.0876 2.0876 2.2479 2.2479 2.2810 2.2810 2.3633 2.3633 3.0960 3.0960 3.2033 3.2033 4.4741 4.4741 4.7565 4.7565 10.0397 10.0397 10.3505 10.3505 10.8448 10.8448 10.8581 10.8581 k = 0.2273 0.2273-0.0000 ( 4188 PWs) bands (ev): -28.0368 -28.0368 -28.0222 -28.0222 -10.9461 -10.9461 -10.8681 -10.8681 -9.9810 -9.9810 -9.8554 -9.8554 -9.8111 -9.8111 -9.6572 -9.6572 -8.7172 -8.7172 -8.6071 -8.6071 2.1047 2.1047 2.2480 2.2480 2.2838 2.2838 2.3591 2.3591 3.1082 3.1082 3.2171 3.2171 4.4730 4.4730 4.7713 4.7713 10.0349 10.0349 10.4034 10.4034 10.7699 10.7699 10.7865 10.7865 k = 0.2182 0.2182-0.0000 ( 4192 PWs) bands (ev): -28.0377 -28.0377 -28.0224 -28.0224 -10.9459 -10.9459 -10.8629 -10.8629 -9.9836 -9.9836 -9.8491 -9.8491 -9.8069 -9.8069 -9.6538 -9.6538 -8.7231 -8.7231 -8.6081 -8.6081 2.1074 2.1074 2.2515 2.2515 2.2983 2.2983 2.3597 2.3597 3.1204 3.1204 3.2297 3.2297 4.4700 4.4700 4.7856 4.7856 10.0309 10.0309 10.4581 10.4581 10.6996 10.6996 10.7206 10.7206 k = 0.2091 0.2091-0.0000 ( 4188 PWs) bands (ev): -28.0386 -28.0386 -28.0226 -28.0226 -10.9456 -10.9456 -10.8576 -10.8576 -9.9856 -9.9856 -9.8426 -9.8426 -9.8021 -9.8021 -9.6506 -9.6506 -8.7302 -8.7302 -8.6104 -8.6104 2.0938 2.0938 2.2714 2.2714 2.3120 2.3120 2.3664 2.3664 3.1325 3.1325 3.2411 3.2411 4.4649 4.4649 4.7991 4.7991 10.0280 10.0280 10.5141 10.5141 10.6343 10.6343 10.6600 10.6600 k = 0.2000 0.2000-0.0000 ( 4192 PWs) bands (ev): -28.0395 -28.0395 -28.0228 -28.0228 -10.9451 -10.9451 -10.8522 -10.8522 -9.9871 -9.9871 -9.8359 -9.8359 -9.7964 -9.7964 -9.6474 -9.6474 -8.7385 -8.7385 -8.6138 -8.6138 2.0705 2.0705 2.3023 2.3023 2.3234 2.3234 2.3796 2.3796 3.1446 3.1446 3.2510 3.2510 4.4575 4.4575 4.8118 4.8118 10.0266 10.0266 10.5623 10.5623 10.5805 10.5805 10.5941 10.5941 k = 0.1909 0.1909-0.0000 ( 4194 PWs) bands (ev): -28.0404 -28.0404 -28.0230 -28.0230 -10.9445 -10.9445 -10.8467 -10.8467 -9.9881 -9.9881 -9.8292 -9.8292 -9.7898 -9.7898 -9.6444 -9.6444 -8.7479 -8.7479 -8.6185 -8.6185 2.0430 2.0430 2.3271 2.3271 2.3455 2.3455 2.3978 2.3978 3.1564 3.1564 3.2594 3.2594 4.4479 4.4479 4.8236 4.8236 10.0270 10.0270 10.4979 10.4979 10.5219 10.5219 10.5584 10.5584 k = 0.1818 0.1818-0.0000 ( 4182 PWs) bands (ev): -28.0412 -28.0412 -28.0232 -28.0232 -10.9437 -10.9437 -10.8412 -10.8412 -9.9885 -9.9885 -9.8225 -9.8225 -9.7824 -9.7824 -9.6416 -9.6416 -8.7585 -8.7585 -8.6242 -8.6242 2.0141 2.0141 2.3371 2.3371 2.3860 2.3860 2.4194 2.4194 3.1680 3.1680 3.2663 3.2663 4.4360 4.4360 4.8344 4.8344 10.0297 10.0297 10.4122 10.4122 10.4717 10.4717 10.5151 10.5151 k = 0.1727 0.1727-0.0000 ( 4174 PWs) bands (ev): -28.0421 -28.0421 -28.0233 -28.0233 -10.9429 -10.9429 -10.8357 -10.8357 -9.9883 -9.9883 -9.8158 -9.8158 -9.7740 -9.7740 -9.6390 -9.6390 -8.7700 -8.7700 -8.6309 -8.6309 1.9849 1.9849 2.3468 2.3468 2.4266 2.4266 2.4466 2.4466 3.1791 3.1791 3.2715 3.2715 4.4216 4.4216 4.8442 4.8442 10.0350 10.0350 10.3280 10.3280 10.4285 10.4285 10.4771 10.4771 k = 0.1636 0.1636-0.0000 ( 4168 PWs) bands (ev): -28.0429 -28.0429 -28.0235 -28.0235 -10.9419 -10.9419 -10.8303 -10.8303 -9.9876 -9.9876 -9.8092 -9.8092 -9.7649 -9.7649 -9.6367 -9.6367 -8.7824 -8.7824 -8.6386 -8.6386 1.9562 1.9562 2.3577 2.3577 2.4563 2.4563 2.4879 2.4879 3.1894 3.1894 3.2752 3.2752 4.4049 4.4049 4.8528 4.8528 10.0432 10.0432 10.2466 10.2466 10.3916 10.3916 10.4442 10.4442 k = 0.1545 0.1545-0.0000 ( 4180 PWs) bands (ev): -28.0437 -28.0437 -28.0237 -28.0237 -10.9409 -10.9409 -10.8250 -10.8250 -9.9865 -9.9865 -9.8026 -9.8026 -9.7550 -9.7550 -9.6345 -9.6345 -8.7956 -8.7956 -8.6471 -8.6471 1.9283 1.9283 2.3703 2.3703 2.4804 2.4804 2.5371 2.5371 3.1986 3.1986 3.2777 3.2777 4.3857 4.3857 4.8603 4.8603 10.0547 10.0547 10.1686 10.1686 10.3611 10.3611 10.4159 10.4159 k = 0.1455 0.1455-0.0000 ( 4188 PWs) bands (ev): -28.0444 -28.0444 -28.0239 -28.0239 -10.9398 -10.9398 -10.8198 -10.8198 -9.9849 -9.9849 -9.7959 -9.7959 -9.7446 -9.7446 -9.6327 -9.6327 -8.8096 -8.8096 -8.6563 -8.6563 1.9015 1.9015 2.3847 2.3847 2.5034 2.5034 2.5891 2.5891 3.2061 3.2061 3.2795 3.2795 4.3642 4.3642 4.8666 4.8666 10.0685 10.0685 10.0955 10.0955 10.3371 10.3371 10.3919 10.3919 k = 0.1364 0.1364-0.0000 ( 4182 PWs) bands (ev): -28.0451 -28.0451 -28.0240 -28.0240 -10.9387 -10.9387 -10.8147 -10.8147 -9.9829 -9.9829 -9.7892 -9.7892 -9.7337 -9.7337 -9.6311 -9.6311 -8.8241 -8.8241 -8.6662 -8.6662 1.8759 1.8759 2.4009 2.4009 2.5260 2.5260 2.6428 2.6428 3.2110 3.2110 3.2813 3.2813 4.3404 4.3404 4.8718 4.8718 10.0214 10.0214 10.0909 10.0909 10.3196 10.3196 10.3717 10.3717 k = 0.1273 0.1273-0.0000 ( 4190 PWs) bands (ev): -28.0458 -28.0458 -28.0242 -28.0242 -10.9376 -10.9376 -10.8098 -10.8098 -9.9806 -9.9806 -9.7823 -9.7823 -9.7224 -9.7224 -9.6299 -9.6299 -8.8390 -8.8390 -8.6765 -8.6765 1.8516 1.8516 2.4186 2.4186 2.5480 2.5480 2.6977 2.6977 3.2125 3.2125 3.2840 3.2840 4.3144 4.3144 4.8758 4.8758 9.9544 9.9544 10.1143 10.1143 10.3089 10.3089 10.3549 10.3549 k = 0.1182 0.1182-0.0000 ( 4190 PWs) bands (ev): -28.0465 -28.0465 -28.0243 -28.0243 -10.9364 -10.9364 -10.8052 -10.8052 -9.9780 -9.9780 -9.7752 -9.7752 -9.7110 -9.7110 -9.6290 -9.6290 -8.8542 -8.8542 -8.6871 -8.6871 1.8287 1.8287 2.4380 2.4380 2.5695 2.5695 2.7534 2.7534 3.2100 3.2100 3.2882 3.2882 4.2861 4.2861 4.8788 4.8788 9.8910 9.8910 10.1424 10.1424 10.3048 10.3048 10.3413 10.3413 k = 0.1091 0.1091-0.0000 ( 4192 PWs) bands (ev): -28.0471 -28.0471 -28.0245 -28.0245 -10.9353 -10.9353 -10.8007 -10.8007 -9.9752 -9.9752 -9.7679 -9.7679 -9.6995 -9.6995 -9.6284 -9.6284 -8.8694 -8.8694 -8.6979 -8.6979 1.8074 1.8074 2.4587 2.4587 2.5904 2.5904 2.8095 2.8095 3.2036 3.2036 3.2939 3.2939 4.2558 4.2558 4.8808 4.8808 9.8316 9.8316 10.1750 10.1750 10.3074 10.3074 10.3303 10.3303 k = 0.1000 0.1000-0.0000 ( 4190 PWs) bands (ev): -28.0477 -28.0477 -28.0246 -28.0246 -10.9342 -10.9342 -10.7966 -10.7966 -9.9723 -9.9723 -9.7604 -9.7604 -9.6881 -9.6881 -9.6281 -9.6281 -8.8847 -8.8847 -8.7088 -8.7088 1.7876 1.7876 2.4807 2.4807 2.6105 2.6105 2.8656 2.8656 3.1939 3.1939 3.3006 3.3006 4.2235 4.2235 4.8818 4.8818 9.7763 9.7763 10.2120 10.2120 10.3159 10.3159 10.3226 10.3226 k = 0.0909 0.0909-0.0000 ( 4184 PWs) bands (ev): -28.0482 -28.0482 -28.0247 -28.0247 -10.9331 -10.9331 -10.7928 -10.7928 -9.9693 -9.9693 -9.7528 -9.7528 -9.6772 -9.6772 -9.6281 -9.6281 -8.8996 -8.8996 -8.7195 -8.7195 1.7694 1.7694 2.5035 2.5035 2.6298 2.6298 2.9210 2.9210 3.1819 3.1819 3.3079 3.3079 4.1896 4.1896 4.8822 4.8822 9.7254 9.7254 10.2526 10.2526 10.3147 10.3147 10.3339 10.3339 k = 0.0818 0.0818-0.0000 ( 4187 PWs) bands (ev): -28.0487 -28.0487 -28.0248 -28.0248 -10.9321 -10.9321 -10.7892 -10.7892 -9.9664 -9.9664 -9.7450 -9.7450 -9.6669 -9.6669 -9.6281 -9.6281 -8.9141 -8.9141 -8.7299 -8.7299 1.7528 1.7528 2.5270 2.5270 2.6482 2.6482 2.9745 2.9745 3.1687 3.1687 3.3155 3.3155 4.1542 4.1542 4.8818 4.8818 9.6789 9.6789 10.2922 10.2922 10.3147 10.3147 10.3568 10.3568 k = 0.0727 0.0727-0.0000 ( 4191 PWs) bands (ev): -28.0491 -28.0491 -28.0249 -28.0249 -10.9312 -10.9312 -10.7860 -10.7860 -9.9635 -9.9635 -9.7371 -9.7371 -9.6578 -9.6578 -9.6280 -9.6280 -8.9280 -8.9280 -8.7398 -8.7398 1.7379 1.7379 2.5507 2.5507 2.6657 2.6657 3.0236 3.0236 3.1570 3.1570 3.3230 3.3230 4.1177 4.1177 4.8810 4.8810 9.6369 9.6369 10.3010 10.3010 10.3491 10.3491 10.3872 10.3872 k = 0.0636 0.0636-0.0000 ( 4187 PWs) bands (ev): -28.0495 -28.0495 -28.0250 -28.0250 -10.9303 -10.9303 -10.7832 -10.7832 -9.9609 -9.9609 -9.7292 -9.7292 -9.6509 -9.6509 -9.6268 -9.6268 -8.9409 -8.9409 -8.7490 -8.7490 1.7248 1.7248 2.5741 2.5741 2.6824 2.6824 3.0608 3.0608 3.1539 3.1539 3.3305 3.3305 4.0806 4.0806 4.8797 4.8797 9.5997 9.5997 10.2992 10.2992 10.3955 10.3955 10.4257 10.4257 k = 0.0545 0.0545-0.0000 ( 4179 PWs) bands (ev): -28.0498 -28.0498 -28.0251 -28.0251 -10.9295 -10.9295 -10.7807 -10.7807 -9.9584 -9.9584 -9.7213 -9.7213 -9.6474 -9.6474 -9.6236 -9.6236 -8.9527 -8.9527 -8.7574 -8.7574 1.7133 1.7133 2.5965 2.5965 2.6982 2.6982 3.0725 3.0725 3.1728 3.1728 3.3379 3.3379 4.0435 4.0435 4.8783 4.8783 9.5672 9.5672 10.2973 10.2973 10.4417 10.4417 10.4722 10.4722 k = 0.0455 0.0455-0.0000 ( 4191 PWs) bands (ev): -28.0501 -28.0501 -28.0252 -28.0252 -10.9288 -10.9288 -10.7785 -10.7785 -9.9562 -9.9562 -9.7136 -9.7136 -9.6471 -9.6471 -9.6187 -9.6187 -8.9632 -8.9632 -8.7649 -8.7649 1.7036 1.7036 2.6172 2.6172 2.7133 2.7133 3.0639 3.0639 3.2077 3.2077 3.3457 3.3457 4.0073 4.0073 4.8768 4.8768 9.5395 9.5395 10.2958 10.2958 10.4881 10.4881 10.5233 10.5233 k = 0.0364 0.0364-0.0000 ( 4187 PWs) bands (ev): -28.0504 -28.0504 -28.0252 -28.0252 -10.9283 -10.9283 -10.7768 -10.7768 -9.9544 -9.9544 -9.7062 -9.7062 -9.6488 -9.6488 -9.6133 -9.6133 -8.9721 -8.9721 -8.7712 -8.7712 1.6956 1.6956 2.6354 2.6354 2.7276 2.7276 3.0488 3.0488 3.2435 3.2435 3.3544 3.3544 3.9731 3.9731 4.8754 4.8754 9.5168 9.5168 10.2948 10.2948 10.5354 10.5354 10.5747 10.5747 k = 0.0273 0.0273-0.0000 ( 4183 PWs) bands (ev): -28.0506 -28.0506 -28.0253 -28.0253 -10.9279 -10.9279 -10.7754 -10.7754 -9.9529 -9.9529 -9.6994 -9.6994 -9.6515 -9.6515 -9.6085 -9.6085 -8.9793 -8.9793 -8.7762 -8.7762 1.6894 1.6894 2.6501 2.6501 2.7407 2.7407 3.0331 3.0331 3.2732 3.2732 3.3648 3.3648 3.9427 3.9427 4.8742 4.8742 9.4990 9.4990 10.2941 10.2941 10.5821 10.5821 10.6227 10.6227 k = 0.0182 0.0182-0.0000 ( 4183 PWs) bands (ev): -28.0507 -28.0507 -28.0253 -28.0253 -10.9275 -10.9275 -10.7744 -10.7744 -9.9518 -9.9518 -9.6935 -9.6935 -9.6546 -9.6546 -9.6048 -9.6048 -8.9846 -8.9846 -8.7799 -8.7799 1.6849 1.6849 2.6609 2.6609 2.7519 2.7519 3.0195 3.0195 3.2934 3.2934 3.3763 3.3763 3.9183 3.9183 4.8732 4.8732 9.4863 9.4863 10.2936 10.2936 10.6236 10.6236 10.6638 10.6638 k = 0.0091 0.0091-0.0000 ( 4185 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9273 -10.9273 -10.7738 -10.7738 -9.9512 -9.9512 -9.6893 -9.6893 -9.6571 -9.6571 -9.6025 -9.6025 -8.9878 -8.9878 -8.7822 -8.7822 1.6823 1.6823 2.6674 2.6674 2.7596 2.7596 3.0102 3.0102 3.3044 3.3044 3.3860 3.3860 3.9022 3.9022 4.8726 4.8726 9.4787 9.4787 10.2934 10.2934 10.6532 10.6532 10.6935 10.6935 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9273 -10.9273 -10.7736 -10.7736 -9.9510 -9.9510 -9.6877 -9.6877 -9.6582 -9.6582 -9.6017 -9.6017 -8.9889 -8.9889 -8.7829 -8.7829 1.6814 1.6814 2.6695 2.6695 2.7624 2.7624 3.0069 3.0069 3.3077 3.3077 3.3899 3.3899 3.8966 3.8966 4.8724 4.8724 9.4761 9.4761 10.2933 10.2933 10.6640 10.6640 10.7049 10.7049 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9273 -10.9273 -10.7736 -10.7736 -9.9510 -9.9510 -9.6877 -9.6877 -9.6582 -9.6582 -9.6017 -9.6017 -8.9889 -8.9889 -8.7829 -8.7829 1.6814 1.6814 2.6695 2.6695 2.7624 2.7624 3.0069 3.0069 3.3077 3.3077 3.3899 3.3899 3.8966 3.8966 4.8724 4.8724 9.4761 9.4761 10.2933 10.2933 10.6640 10.6640 10.7049 10.7049 k = 0.0000 0.0000 0.0128 ( 4189 PWs) bands (ev): -28.0508 -28.0508 -28.0253 -28.0253 -10.9271 -10.9271 -10.7738 -10.7738 -9.9508 -9.9508 -9.6876 -9.6876 -9.6588 -9.6588 -9.6018 -9.6018 -8.9882 -8.9882 -8.7829 -8.7829 1.6815 1.6815 2.6694 2.6694 2.7623 2.7623 2.9995 2.9995 3.3071 3.3071 3.3900 3.3900 3.9051 3.9051 4.8725 4.8725 9.4726 9.4726 10.2902 10.2902 10.6649 10.6649 10.7058 10.7058 k = 0.0000 0.0000 0.0256 ( 4189 PWs) bands (ev): -28.0508 -28.0508 -28.0254 -28.0254 -10.9267 -10.9267 -10.7744 -10.7744 -9.9504 -9.9504 -9.6876 -9.6876 -9.6606 -9.6606 -9.6018 -9.6018 -8.9862 -8.9862 -8.7829 -8.7829 1.6817 1.6817 2.6689 2.6689 2.7619 2.7619 2.9781 2.9781 3.3057 3.3057 3.3903 3.3903 3.9298 3.9298 4.8729 4.8729 9.4624 9.4624 10.2807 10.2807 10.6676 10.6676 10.7085 10.7085 k = 0.0000 0.0000 0.0384 ( 4189 PWs) bands (ev): -28.0507 -28.0507 -28.0254 -28.0254 -10.9261 -10.9261 -10.7754 -10.7754 -9.9497 -9.9497 -9.6874 -9.6874 -9.6635 -9.6635 -9.6020 -9.6020 -8.9830 -8.9830 -8.7828 -8.7828 1.6822 1.6822 2.6682 2.6682 2.7614 2.7614 2.9446 2.9446 3.3040 3.3040 3.3907 3.3907 3.9680 3.9680 4.8736 4.8736 9.4459 9.4459 10.2649 10.2649 10.6722 10.6722 10.7129 10.7129 k = 0.0000 0.0000 0.0512 ( 4181 PWs) bands (ev): -28.0507 -28.0507 -28.0254 -28.0254 -10.9251 -10.9251 -10.7768 -10.7768 -9.9487 -9.9487 -9.6872 -9.6872 -9.6676 -9.6676 -9.6022 -9.6022 -8.9786 -8.9786 -8.7827 -8.7827 1.6830 1.6830 2.6671 2.6671 2.7607 2.7607 2.9017 2.9017 3.3025 3.3025 3.3913 3.3913 4.0167 4.0167 4.8745 4.8745 9.4239 9.4239 10.2427 10.2427 10.6784 10.6784 10.7190 10.7190 k = 0.0000 0.0000 0.0640 ( 4181 PWs) bands (ev): -28.0507 -28.0507 -28.0255 -28.0255 -10.9239 -10.9239 -10.7786 -10.7786 -9.9475 -9.9475 -9.6869 -9.6869 -9.6726 -9.6726 -9.6025 -9.6025 -8.9730 -8.9730 -8.7826 -8.7826 1.6841 1.6841 2.6654 2.6654 2.7599 2.7599 2.8521 2.8521 3.3014 3.3014 3.3921 3.3921 4.0729 4.0729 4.8756 4.8756 9.3974 9.3974 10.2144 10.2144 10.6863 10.6863 10.7267 10.7267 k = 0.0000 0.0000 0.0768 ( 4181 PWs) bands (ev): -28.0506 -28.0506 -28.0255 -28.0255 -10.9224 -10.9224 -10.7808 -10.7808 -9.9460 -9.9460 -9.6866 -9.6866 -9.6785 -9.6785 -9.6028 -9.6028 -8.9665 -8.9665 -8.7825 -8.7825 1.6856 1.6856 2.6629 2.6629 2.7588 2.7588 2.7984 2.7984 3.3008 3.3008 3.3930 3.3930 4.1342 4.1342 4.8769 4.8769 9.3674 9.3674 10.1804 10.1804 10.6957 10.6957 10.7359 10.7359 k = 0.0000 0.0000 0.0896 ( 4177 PWs) bands (ev): -28.0505 -28.0505 -28.0256 -28.0256 -10.9207 -10.9207 -10.7833 -10.7833 -9.9442 -9.9442 -9.6863 -9.6863 -9.6852 -9.6852 -9.6031 -9.6031 -8.9592 -8.9592 -8.7825 -8.7825 1.6876 1.6876 2.6579 2.6579 2.7441 2.7441 2.7577 2.7577 3.3006 3.3006 3.3941 3.3941 4.1986 4.1986 4.8784 4.8784 9.3350 9.3350 10.1417 10.1417 10.7065 10.7065 10.7465 10.7465 k = 0.0000 0.0000 0.1024 ( 4177 PWs) bands (ev): -28.0504 -28.0504 -28.0257 -28.0257 -10.9187 -10.9187 -10.7861 -10.7861 -9.9422 -9.9422 -9.6926 -9.6926 -9.6859 -9.6859 -9.6035 -9.6035 -8.9511 -8.9511 -8.7826 -8.7826 1.6903 1.6903 2.6432 2.6432 2.6978 2.6978 2.7564 2.7564 3.3007 3.3007 3.3952 3.3952 4.2646 4.2646 4.8800 4.8800 9.3010 9.3010 10.0990 10.0990 10.7185 10.7185 10.7583 10.7583 k = 0.0000 0.0000 0.1152 ( 4169 PWs) bands (ev): -28.0504 -28.0504 -28.0258 -28.0258 -10.9165 -10.9165 -10.7892 -10.7892 -9.9399 -9.9399 -9.7005 -9.7005 -9.6855 -9.6855 -9.6040 -9.6040 -8.9424 -8.9424 -8.7828 -8.7828 1.6936 1.6936 2.6027 2.6027 2.6767 2.6767 2.7550 2.7550 3.3011 3.3011 3.3964 3.3964 4.3311 4.3311 4.8818 4.8818 9.2662 9.2662 10.0535 10.0535 10.7316 10.7316 10.7712 10.7712 k = 0.0000 0.0000 0.1280 ( 4172 PWs) bands (ev): -28.0503 -28.0503 -28.0258 -28.0258 -10.9141 -10.9141 -10.7927 -10.7927 -9.9373 -9.9373 -9.7088 -9.7088 -9.6850 -9.6850 -9.6044 -9.6044 -8.9333 -8.9333 -8.7831 -8.7831 1.6978 1.6978 2.5479 2.5479 2.6699 2.6699 2.7536 2.7536 3.3017 3.3017 3.3977 3.3977 4.3970 4.3970 4.8837 4.8837 9.2314 9.2314 10.0063 10.0063 10.7455 10.7455 10.7850 10.7850 k = 0.0000 0.0000 0.1408 ( 4188 PWs) bands (ev): -28.0502 -28.0502 -28.0259 -28.0259 -10.9114 -10.9114 -10.7963 -10.7963 -9.9345 -9.9345 -9.7173 -9.7173 -9.6846 -9.6846 -9.6049 -9.6049 -8.9239 -8.9239 -8.7836 -8.7836 1.7030 1.7030 2.4906 2.4906 2.6665 2.6665 2.7521 2.7521 3.3025 3.3025 3.3990 3.3990 4.4614 4.4614 4.8855 4.8855 9.1973 9.1973 9.9583 9.9583 10.7600 10.7600 10.7994 10.7994 k = 0.0000 0.0000 0.1537 ( 4184 PWs) bands (ev): -28.0501 -28.0501 -28.0260 -28.0260 -10.9085 -10.9085 -10.8003 -10.8003 -9.9315 -9.9315 -9.7260 -9.7260 -9.6841 -9.6841 -9.6054 -9.6054 -8.9143 -8.9143 -8.7843 -8.7843 1.7092 1.7092 2.4338 2.4338 2.6641 2.6641 2.7506 2.7506 3.3033 3.3033 3.4003 3.4003 4.5236 4.5236 4.8875 4.8875 9.1643 9.1643 9.9106 9.9106 10.7750 10.7750 10.8142 10.8142 k = 0.0000 0.0000 0.1665 ( 4184 PWs) bands (ev): -28.0500 -28.0500 -28.0261 -28.0261 -10.9054 -10.9054 -10.8043 -10.8043 -9.9283 -9.9283 -9.7347 -9.7347 -9.6836 -9.6836 -9.6059 -9.6059 -8.9046 -8.9046 -8.7853 -8.7853 1.7166 1.7166 2.3783 2.3783 2.6622 2.6622 2.7492 2.7492 3.3042 3.3042 3.4015 3.4015 4.5828 4.5828 4.8894 4.8894 9.1329 9.1329 9.8641 9.8641 10.7900 10.7900 10.8291 10.8291 k = 0.0000 0.0000 0.1793 ( 4176 PWs) bands (ev): -28.0499 -28.0499 -28.0262 -28.0262 -10.9021 -10.9021 -10.8086 -10.8086 -9.9249 -9.9249 -9.7434 -9.7434 -9.6831 -9.6831 -9.6064 -9.6064 -8.8950 -8.8950 -8.7866 -8.7866 1.7254 1.7254 2.3247 2.3247 2.6605 2.6605 2.7478 2.7478 3.3051 3.3051 3.4028 3.4028 4.6386 4.6386 4.8913 4.8913 9.1035 9.1035 9.8195 9.8195 10.8049 10.8049 10.8439 10.8439 k = 0.0000 0.0000 0.1921 ( 4184 PWs) bands (ev): -28.0498 -28.0498 -28.0263 -28.0263 -10.8986 -10.8986 -10.8129 -10.8129 -9.9215 -9.9215 -9.7518 -9.7518 -9.6827 -9.6827 -9.6068 -9.6068 -8.8856 -8.8856 -8.7882 -8.7882 1.7355 1.7355 2.2734 2.2734 2.6590 2.6590 2.7465 2.7465 3.3059 3.3059 3.4040 3.4040 4.6903 4.6903 4.8931 4.8931 9.0765 9.0765 9.7776 9.7776 10.8194 10.8194 10.8582 10.8582 k = 0.0000 0.0000 0.2049 ( 4184 PWs) bands (ev): -28.0498 -28.0498 -28.0264 -28.0264 -10.8951 -10.8951 -10.8173 -10.8173 -9.9180 -9.9180 -9.7598 -9.7598 -9.6822 -9.6822 -9.6073 -9.6073 -8.8764 -8.8764 -8.7901 -8.7901 1.7470 1.7470 2.2248 2.2248 2.6576 2.6576 2.7452 2.7452 3.3068 3.3068 3.4050 3.4050 4.7373 4.7373 4.8948 4.8948 9.0520 9.0520 9.7390 9.7390 10.8331 10.8331 10.8718 10.8718 k = 0.0000 0.0000 0.2177 ( 4164 PWs) bands (ev): -28.0497 -28.0497 -28.0264 -28.0264 -10.8915 -10.8915 -10.8217 -10.8217 -9.9145 -9.9145 -9.7673 -9.7673 -9.6818 -9.6818 -9.6077 -9.6077 -8.8676 -8.8676 -8.7925 -8.7925 1.7598 1.7598 2.1793 2.1793 2.6564 2.6564 2.7441 2.7441 3.3075 3.3075 3.4060 3.4060 4.7792 4.7792 4.8964 4.8964 9.0304 9.0304 9.7043 9.7043 10.8457 10.8457 10.8843 10.8843 k = 0.0000 0.0000 0.2305 ( 4152 PWs) bands (ev): -28.0496 -28.0496 -28.0265 -28.0265 -10.8879 -10.8879 -10.8260 -10.8260 -9.9111 -9.9111 -9.7741 -9.7741 -9.6815 -9.6815 -9.6080 -9.6080 -8.8592 -8.8592 -8.7951 -8.7951 1.7738 1.7738 2.1372 2.1372 2.6554 2.6554 2.7431 2.7431 3.3082 3.3082 3.4069 3.4069 4.8154 4.8154 4.8977 4.8977 9.0118 9.0118 9.6741 9.6741 10.8570 10.8570 10.8956 10.8956 k = 0.0000 0.0000 0.2433 ( 4152 PWs) bands (ev): -28.0495 -28.0495 -28.0265 -28.0265 -10.8844 -10.8844 -10.8301 -10.8301 -9.9080 -9.9080 -9.7801 -9.7801 -9.6812 -9.6812 -9.6083 -9.6083 -8.8514 -8.8514 -8.7982 -8.7982 1.7887 1.7887 2.0991 2.0991 2.6546 2.6546 2.7423 2.7423 3.3088 3.3088 3.4076 3.4076 4.8457 4.8457 4.8989 4.8989 8.9964 8.9964 9.6487 9.6487 10.8666 10.8666 10.9052 10.9052 k = 0.0000 0.0000 0.2561 ( 4164 PWs) bands (ev): -28.0495 -28.0495 -28.0266 -28.0266 -10.8812 -10.8812 -10.8337 -10.8337 -9.9054 -9.9054 -9.7851 -9.7851 -9.6810 -9.6810 -9.6086 -9.6086 -8.8444 -8.8444 -8.8014 -8.8014 1.8036 1.8036 2.0659 2.0659 2.6539 2.6539 2.7416 2.7416 3.3093 3.3093 3.4082 3.4082 4.8696 4.8696 4.8998 4.8998 8.9843 8.9843 9.6285 9.6285 10.8744 10.8744 10.9129 10.9129 k = 0.0000 0.0000 0.2689 ( 4164 PWs) bands (ev): -28.0495 -28.0495 -28.0266 -28.0266 -10.8785 -10.8785 -10.8368 -10.8368 -9.9033 -9.9033 -9.7888 -9.7888 -9.6808 -9.6808 -9.6087 -9.6087 -8.8384 -8.8384 -8.8047 -8.8047 1.8172 1.8172 2.0391 2.0391 2.6534 2.6534 2.7411 2.7411 3.3096 3.3096 3.4086 3.4086 4.8869 4.8869 4.9005 4.9005 8.9756 8.9756 9.6139 9.6139 10.8801 10.8801 10.9186 10.9186 k = 0.0000 0.0000 0.2817 ( 4156 PWs) bands (ev): -28.0495 -28.0495 -28.0266 -28.0266 -10.8767 -10.8767 -10.8388 -10.8388 -9.9020 -9.9020 -9.7912 -9.7912 -9.6807 -9.6807 -9.6089 -9.6089 -8.8340 -8.8340 -8.8074 -8.8074 1.8273 1.8273 2.0211 2.0211 2.6531 2.6531 2.7409 2.7409 3.3098 3.3098 3.4089 3.4089 4.8974 4.8974 4.9009 4.9009 8.9704 8.9704 9.6051 9.6051 10.8836 10.8836 10.9221 10.9221 k = 0.0000 0.0000 0.2945 ( 4148 PWs) bands (ev): -28.0494 -28.0494 -28.0266 -28.0266 -10.8760 -10.8760 -10.8395 -10.8395 -9.9015 -9.9015 -9.7920 -9.7920 -9.6806 -9.6806 -9.6089 -9.6089 -8.8323 -8.8323 -8.8086 -8.8086 1.8312 1.8312 2.0146 2.0146 2.6530 2.6530 2.7408 2.7408 3.3099 3.3099 3.4090 3.4090 4.9009 4.9009 4.9010 4.9010 8.9686 8.9686 9.6021 9.6021 10.8848 10.8848 10.9232 10.9232 k = 0.0000 0.0000 0.2945 ( 4148 PWs) bands (ev): -28.0494 -28.0494 -28.0266 -28.0266 -10.8760 -10.8760 -10.8395 -10.8395 -9.9015 -9.9015 -9.7920 -9.7920 -9.6806 -9.6806 -9.6089 -9.6089 -8.8323 -8.8323 -8.8086 -8.8086 1.8312 1.8312 2.0146 2.0146 2.6530 2.6530 2.7408 2.7408 3.3099 3.3099 3.4090 3.4090 4.9009 4.9009 4.9010 4.9010 8.9686 8.9686 9.6021 9.6021 10.8848 10.8848 10.9232 10.9232 k = 0.0000 0.0128 0.2945 ( 4152 PWs) bands (ev): -28.0494 -28.0494 -28.0266 -28.0266 -10.8763 -10.8763 -10.8395 -10.8395 -9.9023 -9.9023 -9.7917 -9.7917 -9.6805 -9.6805 -9.6096 -9.6096 -8.8323 -8.8323 -8.8071 -8.8071 1.8297 1.8297 2.0151 2.0151 2.6536 2.6536 2.7413 2.7413 3.3083 3.3083 3.4073 3.4073 4.9004 4.9004 4.9014 4.9014 8.9716 8.9716 9.6054 9.6054 10.8821 10.8821 10.9205 10.9205 k = 0.0000 0.0256 0.2945 ( 4160 PWs) bands (ev): -28.0493 -28.0493 -28.0266 -28.0266 -10.8773 -10.8773 -10.8394 -10.8394 -9.9046 -9.9046 -9.7910 -9.7910 -9.6801 -9.6801 -9.6119 -9.6119 -8.8320 -8.8320 -8.8031 -8.8031 1.8253 1.8253 2.0167 2.0167 2.6553 2.6553 2.7428 2.7428 3.3036 3.3036 3.4026 3.4026 4.8990 4.8990 4.9025 4.9025 8.9807 8.9807 9.6151 9.6151 10.8739 10.8739 10.9126 10.9126 k = 0.0000 0.0385 0.2945 ( 4162 PWs) bands (ev): -28.0492 -28.0492 -28.0266 -28.0266 -10.8789 -10.8789 -10.8393 -10.8393 -9.9084 -9.9084 -9.7898 -9.7898 -9.6794 -9.6794 -9.6155 -9.6155 -8.8311 -8.8311 -8.7969 -8.7969 1.8181 1.8181 2.0194 2.0194 2.6580 2.6580 2.7455 2.7455 3.2954 3.2954 3.3950 3.3950 4.8967 4.8967 4.9042 4.9042 8.9959 8.9959 9.6311 9.6311 10.8605 10.8605 10.9009 10.9009 k = 0.0000 0.0513 0.2945 ( 4150 PWs) bands (ev): -28.0490 -28.0490 -28.0265 -28.0265 -10.8810 -10.8810 -10.8392 -10.8392 -9.9134 -9.9134 -9.7884 -9.7884 -9.6785 -9.6785 -9.6204 -9.6204 -8.8293 -8.8293 -8.7889 -8.7889 1.8083 1.8083 2.0230 2.0230 2.6612 2.6612 2.7496 2.7496 3.2835 3.2835 3.3851 3.3851 4.8934 4.8934 4.9066 4.9066 9.0169 9.0169 9.6533 9.6533 10.8423 10.8423 10.8867 10.8867 k = 0.0000 0.0641 0.2945 ( 4154 PWs) bands (ev): -28.0488 -28.0488 -28.0265 -28.0265 -10.8837 -10.8837 -10.8392 -10.8392 -9.9195 -9.9195 -9.7869 -9.7869 -9.6776 -9.6776 -9.6263 -9.6263 -8.8264 -8.8264 -8.7795 -8.7795 1.7960 1.7960 2.0276 2.0276 2.6647 2.6647 2.7552 2.7552 3.2675 3.2675 3.3736 3.3736 4.8893 4.8893 4.9094 4.9094 9.0439 9.0439 9.6812 9.6812 10.8206 10.8206 10.8711 10.8711 k = 0.0000 0.0769 0.2945 ( 4152 PWs) bands (ev): -28.0485 -28.0485 -28.0264 -28.0264 -10.8867 -10.8867 -10.8394 -10.8394 -9.9265 -9.9265 -9.7853 -9.7853 -9.6769 -9.6769 -9.6328 -9.6328 -8.8224 -8.8224 -8.7689 -8.7689 1.7815 1.7815 2.0330 2.0330 2.6680 2.6680 2.7627 2.7627 3.2472 3.2472 3.3610 3.3610 4.8843 4.8843 4.9125 4.9125 9.0766 9.0766 9.7144 9.7144 10.7969 10.7969 10.8548 10.8548 k = 0.0000 0.0897 0.2945 ( 4148 PWs) bands (ev): -28.0482 -28.0482 -28.0263 -28.0263 -10.8901 -10.8901 -10.8399 -10.8399 -9.9343 -9.9343 -9.7840 -9.7840 -9.6766 -9.6766 -9.6396 -9.6396 -8.8173 -8.8173 -8.7573 -8.7573 1.7652 1.7652 2.0391 2.0391 2.6710 2.6710 2.7720 2.7720 3.2227 3.2227 3.3476 3.3476 4.8784 4.8784 4.9159 4.9159 9.1149 9.1149 9.7525 9.7525 10.7731 10.7731 10.8384 10.8384 k = 0.0000 0.1026 0.2945 ( 4148 PWs) bands (ev): -28.0478 -28.0478 -28.0262 -28.0262 -10.8938 -10.8938 -10.8406 -10.8406 -9.9425 -9.9425 -9.7829 -9.7829 -9.6773 -9.6773 -9.6457 -9.6457 -8.8111 -8.8111 -8.7448 -8.7448 1.7472 1.7472 2.0459 2.0459 2.6734 2.6734 2.7832 2.7832 3.1942 3.1942 3.3338 3.3338 4.8717 4.8717 4.9193 4.9193 9.1587 9.1587 9.7948 9.7948 10.7507 10.7507 10.8224 10.8224 k = 0.0000 0.1154 0.2945 ( 4142 PWs) bands (ev): -28.0474 -28.0474 -28.0261 -28.0261 -10.8978 -10.8978 -10.8416 -10.8416 -9.9512 -9.9512 -9.7824 -9.7824 -9.6798 -9.6798 -9.6501 -9.6501 -8.8040 -8.8040 -8.7316 -8.7316 1.7278 1.7278 2.0533 2.0533 2.6751 2.6751 2.7961 2.7961 3.1622 3.1622 3.3195 3.3195 4.8642 4.8642 4.9226 4.9226 9.2078 9.2078 9.8405 9.8405 10.7312 10.7312 10.8072 10.8072 k = 0.0000 0.1282 0.2945 ( 4146 PWs) bands (ev): -28.0470 -28.0470 -28.0260 -28.0260 -10.9020 -10.9020 -10.8429 -10.8429 -9.9602 -9.9602 -9.7827 -9.7827 -9.6843 -9.6843 -9.6523 -9.6523 -8.7960 -8.7960 -8.7179 -8.7179 1.7074 1.7074 2.0609 2.0609 2.6763 2.6763 2.8105 2.8105 3.1272 3.1272 3.3048 3.3048 4.8559 4.8559 4.9257 4.9257 9.2619 9.2619 9.8888 9.8888 10.7159 10.7159 10.7932 10.7932 k = 0.0000 0.1410 0.2945 ( 4154 PWs) bands (ev): -28.0465 -28.0465 -28.0259 -28.0259 -10.9064 -10.9064 -10.8447 -10.8447 -9.9692 -9.9692 -9.7840 -9.7840 -9.6901 -9.6901 -9.6527 -9.6527 -8.7871 -8.7871 -8.7039 -8.7039 1.6861 1.6861 2.0687 2.0687 2.6770 2.6770 2.8261 2.8261 3.0901 3.0901 3.2894 3.2894 4.8469 4.8469 4.9283 4.9283 9.3210 9.3210 9.9387 9.9387 10.7059 10.7059 10.7810 10.7810 k = 0.0000 0.1538 0.2945 ( 4162 PWs) bands (ev): -28.0460 -28.0460 -28.0258 -28.0258 -10.9110 -10.9110 -10.8468 -10.8468 -9.9783 -9.9783 -9.7868 -9.7868 -9.6960 -9.6960 -9.6519 -9.6519 -8.7776 -8.7776 -8.6896 -8.6896 1.6643 1.6643 2.0764 2.0764 2.6774 2.6774 2.8426 2.8426 3.0514 3.0514 3.2735 3.2735 4.8373 4.8373 4.9303 4.9303 9.3847 9.3847 9.9891 9.9891 10.7025 10.7025 10.7708 10.7708 k = 0.0000 0.1667 0.2945 ( 4166 PWs) bands (ev): -28.0454 -28.0454 -28.0256 -28.0256 -10.9157 -10.9157 -10.8493 -10.8493 -9.9872 -9.9872 -9.7911 -9.7911 -9.7011 -9.7011 -9.6506 -9.6506 -8.7674 -8.7674 -8.6751 -8.6751 1.6422 1.6422 2.0836 2.0836 2.6774 2.6774 2.8599 2.8599 3.0119 3.0119 3.2570 3.2570 4.8271 4.8271 4.9317 4.9317 9.4528 9.4528 10.0389 10.0389 10.7064 10.7064 10.7631 10.7631 k = 0.0000 0.1795 0.2945 ( 4162 PWs) bands (ev): -28.0448 -28.0448 -28.0255 -28.0255 -10.9205 -10.9205 -10.8522 -10.8522 -9.9960 -9.9960 -9.7973 -9.7973 -9.7050 -9.7050 -9.6489 -9.6489 -8.7567 -8.7567 -8.6607 -8.6607 1.6200 1.6200 2.0901 2.0901 2.6772 2.6772 2.8774 2.8774 2.9724 2.9724 3.2400 3.2400 4.8163 4.8163 4.9323 4.9323 9.5251 9.5251 10.0867 10.0867 10.7180 10.7180 10.7586 10.7586 k = 0.0000 0.1923 0.2945 ( 4166 PWs) bands (ev): -28.0442 -28.0442 -28.0254 -28.0254 -10.9253 -10.9253 -10.8556 -10.8556 -10.0045 -10.0045 -9.8051 -9.8051 -9.7074 -9.7074 -9.6471 -9.6471 -8.7455 -8.7455 -8.6465 -8.6465 1.5980 1.5980 2.0954 2.0954 2.6769 2.6769 2.8946 2.8946 2.9343 2.9343 3.2224 3.2224 4.8051 4.8051 4.9320 4.9320 9.6014 9.6014 10.1319 10.1319 10.7346 10.7346 10.7610 10.7610 k = 0.0000 0.2051 0.2945 ( 4174 PWs) bands (ev): -28.0435 -28.0435 -28.0253 -28.0253 -10.9302 -10.9302 -10.8594 -10.8594 -10.0126 -10.0126 -9.8144 -9.8144 -9.7085 -9.7085 -9.6453 -9.6453 -8.7339 -8.7339 -8.6324 -8.6324 1.5764 1.5764 2.0989 2.0989 2.6766 2.6766 2.8929 2.8929 2.9166 2.9166 3.2043 3.2043 4.7935 4.7935 4.9306 4.9306 9.6813 9.6813 10.1735 10.1735 10.7447 10.7447 10.7818 10.7818 k = 0.0000 0.2179 0.2945 ( 4172 PWs) bands (ev): -28.0428 -28.0428 -28.0252 -28.0252 -10.9351 -10.9351 -10.8635 -10.8635 -10.0203 -10.0203 -9.8248 -9.8248 -9.7084 -9.7084 -9.6434 -9.6434 -8.7220 -8.7220 -8.6187 -8.6187 1.5554 1.5554 2.1001 2.1001 2.6761 2.6761 2.8598 2.8598 2.9326 2.9326 3.1858 3.1858 4.7817 4.7817 4.9282 4.9282 9.7645 9.7645 10.2117 10.2117 10.7495 10.7495 10.8197 10.8197 k = 0.0000 0.2308 0.2945 ( 4172 PWs) bands (ev): -28.0421 -28.0421 -28.0251 -28.0251 -10.9400 -10.9400 -10.8681 -10.8681 -10.0275 -10.0275 -9.8360 -9.8360 -9.7074 -9.7074 -9.6417 -9.6417 -8.7099 -8.7099 -8.6055 -8.6055 1.5352 1.5352 2.0983 2.0983 2.6756 2.6756 2.8286 2.8286 2.9497 2.9497 3.1669 3.1669 4.7697 4.7697 4.9247 4.9247 9.8509 9.8509 10.2465 10.2465 10.7554 10.7554 10.8674 10.8674 k = 0.0000 0.2436 0.2945 ( 4182 PWs) bands (ev): -28.0414 -28.0414 -28.0250 -28.0250 -10.9448 -10.9448 -10.8730 -10.8730 -10.0341 -10.0341 -9.8476 -9.8476 -9.7058 -9.7058 -9.6400 -9.6400 -8.6976 -8.6976 -8.5927 -8.5927 1.5160 1.5160 2.0931 2.0931 2.6751 2.6751 2.8015 2.8015 2.9663 2.9663 3.1479 3.1479 4.7577 4.7577 4.9200 4.9200 9.9400 9.9400 10.2785 10.2785 10.7637 10.7637 10.9224 10.9224 k = 0.0000 0.2564 0.2945 ( 4178 PWs) bands (ev): -28.0407 -28.0407 -28.0249 -28.0249 -10.9495 -10.9495 -10.8783 -10.8783 -10.0402 -10.0402 -9.8595 -9.8595 -9.7036 -9.7036 -9.6385 -9.6385 -8.6852 -8.6852 -8.5804 -8.5804 1.4979 1.4979 2.0837 2.0837 2.6744 2.6744 2.7795 2.7795 2.9820 2.9820 3.1288 3.1288 4.7458 4.7458 4.9142 4.9142 10.0316 10.0316 10.3084 10.3084 10.7747 10.7747 10.9830 10.9830 k = 0.0000 0.2692 0.2945 ( 4174 PWs) bands (ev): -28.0399 -28.0399 -28.0248 -28.0248 -10.9541 -10.9541 -10.8838 -10.8838 -10.0456 -10.0456 -9.8715 -9.8715 -9.7011 -9.7011 -9.6371 -9.6371 -8.6728 -8.6728 -8.5689 -8.5689 1.4811 1.4811 2.0700 2.0700 2.6737 2.6737 2.7632 2.7632 2.9965 2.9965 3.1099 3.1099 4.7340 4.7340 4.9073 4.9073 10.1253 10.1253 10.3367 10.3367 10.7886 10.7886 11.0474 11.0474 k = 0.0000 0.2821 0.2945 ( 4170 PWs) bands (ev): -28.0392 -28.0392 -28.0248 -28.0248 -10.9585 -10.9585 -10.8896 -10.8896 -10.0504 -10.0504 -9.8834 -9.8834 -9.6982 -9.6982 -9.6358 -9.6358 -8.6604 -8.6604 -8.5579 -8.5579 1.4658 1.4658 2.0517 2.0517 2.6732 2.6732 2.7527 2.7527 3.0090 3.0090 3.0918 3.0918 4.7226 4.7226 4.8993 4.8993 10.2206 10.2206 10.3638 10.3638 10.8054 10.8054 11.0780 11.0780 k = 0.0000 0.2949 0.2945 ( 4168 PWs) bands (ev): -28.0384 -28.0384 -28.0247 -28.0247 -10.9627 -10.9627 -10.8956 -10.8956 -10.0546 -10.0546 -9.8952 -9.8952 -9.6952 -9.6952 -9.6347 -9.6347 -8.6481 -8.6481 -8.5478 -8.5478 1.4521 1.4521 2.0290 2.0290 2.6730 2.6730 2.7476 2.7476 3.0180 3.0180 3.0758 3.0758 4.7117 4.7117 4.8903 4.8903 10.3171 10.3171 10.3902 10.3902 10.8250 10.8250 11.0321 11.0321 k = 0.0000 0.3077 0.2945 ( 4170 PWs) bands (ev): -28.0377 -28.0377 -28.0247 -28.0247 -10.9667 -10.9667 -10.9018 -10.9018 -10.0581 -10.0581 -9.9068 -9.9068 -9.6919 -9.6919 -9.6338 -9.6338 -8.6360 -8.6360 -8.5384 -8.5384 1.4401 1.4401 2.0025 2.0025 2.6736 2.6736 2.7475 2.7475 3.0201 3.0201 3.0655 3.0655 4.7014 4.7014 4.8802 4.8802 10.4067 10.4067 10.4234 10.4234 10.8474 10.8474 10.9886 10.9886 k = 0.0000 0.3205 0.2945 ( 4168 PWs) bands (ev): -28.0369 -28.0369 -28.0247 -28.0247 -10.9704 -10.9704 -10.9081 -10.9081 -10.0609 -10.0609 -9.9181 -9.9181 -9.6886 -9.6886 -9.6331 -9.6331 -8.6241 -8.6241 -8.5298 -8.5298 1.4300 1.4300 1.9727 1.9727 2.6753 2.6753 2.7515 2.7515 3.0118 3.0118 3.0642 3.0642 4.6918 4.6918 4.8693 4.8693 10.4373 10.4373 10.5149 10.5149 10.8721 10.8721 10.9488 10.9488 k = 0.0000 0.3333 0.2945 ( 4176 PWs) bands (ev): -28.0362 -28.0362 -28.0247 -28.0247 -10.9739 -10.9739 -10.9145 -10.9145 -10.0630 -10.0630 -9.9291 -9.9291 -9.6852 -9.6852 -9.6325 -9.6325 -8.6124 -8.6124 -8.5221 -8.5221 1.4218 1.4218 1.9403 1.9403 2.6780 2.6780 2.7590 2.7590 2.9968 2.9968 3.0680 3.0680 4.6832 4.6832 4.8576 4.8576 10.4604 10.4604 10.6123 10.6123 10.8925 10.8925 10.9194 10.9194 k = 0.0000 0.3462 0.2945 ( 4164 PWs) bands (ev): -28.0354 -28.0354 -28.0248 -28.0248 -10.9770 -10.9770 -10.9209 -10.9209 -10.0645 -10.0645 -9.9398 -9.9398 -9.6817 -9.6817 -9.6322 -9.6322 -8.6010 -8.6010 -8.5152 -8.5152 1.4157 1.4157 1.9059 1.9059 2.6817 2.6817 2.7696 2.7696 2.9796 2.9796 3.0726 3.0726 4.6756 4.6756 4.8452 4.8452 10.4819 10.4819 10.7080 10.7080 10.8733 10.8733 10.9373 10.9373 k = 0.0000 0.3590 0.2945 ( 4174 PWs) bands (ev): -28.0347 -28.0347 -28.0249 -28.0249 -10.9797 -10.9797 -10.9272 -10.9272 -10.0653 -10.0653 -9.9501 -9.9501 -9.6783 -9.6783 -9.6321 -9.6321 -8.5899 -8.5899 -8.5092 -8.5092 1.4117 1.4117 1.8704 1.8704 2.6862 2.6862 2.7826 2.7826 2.9617 2.9617 3.0763 3.0763 4.6691 4.6691 4.8322 4.8322 10.5017 10.5017 10.7892 10.7892 10.8582 10.8582 10.9702 10.9702 k = 0.0000 0.3718 0.2945 ( 4176 PWs) bands (ev): -28.0339 -28.0339 -28.0250 -28.0250 -10.9821 -10.9821 -10.9335 -10.9335 -10.0655 -10.0655 -9.9600 -9.9600 -9.6748 -9.6748 -9.6322 -9.6322 -8.5793 -8.5793 -8.5042 -8.5042 1.4099 1.4099 1.8342 1.8342 2.6914 2.6914 2.7977 2.7977 2.9438 2.9438 3.0785 3.0785 4.6639 4.6639 4.8188 4.8188 10.5198 10.5198 10.7958 10.7958 10.9185 10.9185 11.0070 11.0070 k = 0.0000 0.3846 0.2945 ( 4176 PWs) bands (ev): -28.0332 -28.0332 -28.0251 -28.0251 -10.9841 -10.9841 -10.9396 -10.9396 -10.0651 -10.0651 -9.9695 -9.9695 -9.6714 -9.6714 -9.6325 -9.6325 -8.5690 -8.5690 -8.5000 -8.5000 1.4104 1.4104 1.7979 1.7979 2.6973 2.6973 2.8142 2.8142 2.9265 2.9265 3.0788 3.0788 4.6601 4.6601 4.8051 4.8051 10.5361 10.5361 10.7733 10.7733 11.0077 11.0077 11.0473 11.0473 k = 0.0000 0.3974 0.2945 ( 4164 PWs) bands (ev): -28.0325 -28.0325 -28.0253 -28.0253 -10.9856 -10.9856 -10.9455 -10.9455 -10.0641 -10.0641 -9.9786 -9.9786 -9.6680 -9.6680 -9.6330 -9.6330 -8.5593 -8.5593 -8.4967 -8.4967 1.4132 1.4132 1.7620 1.7620 2.7038 2.7038 2.8312 2.8312 2.9102 2.9102 3.0772 3.0772 4.6577 4.6577 4.7912 4.7912 10.5508 10.5508 10.7501 10.7501 11.0839 11.0839 11.1043 11.1043 k = 0.0000 0.4103 0.2945 ( 4174 PWs) bands (ev): -28.0319 -28.0319 -28.0255 -28.0255 -10.9867 -10.9867 -10.9511 -10.9511 -10.0625 -10.0625 -9.9873 -9.9873 -9.6647 -9.6647 -9.6337 -9.6337 -8.5500 -8.5500 -8.4944 -8.4944 1.4184 1.4184 1.7267 1.7267 2.7110 2.7110 2.8468 2.8468 2.8968 2.8968 3.0735 3.0735 4.6568 4.6568 4.7773 4.7773 10.5638 10.5638 10.7287 10.7287 11.1313 11.1313 11.1905 11.1905 k = 0.0000 0.4231 0.2945 ( 4174 PWs) bands (ev): -28.0312 -28.0312 -28.0258 -28.0258 -10.9873 -10.9873 -10.9565 -10.9565 -10.0603 -10.0603 -9.9956 -9.9956 -9.6615 -9.6615 -9.6347 -9.6347 -8.5414 -8.5414 -8.4930 -8.4930 1.4259 1.4259 1.6925 1.6925 2.7189 2.7189 2.8541 2.8541 2.8927 2.8927 3.0678 3.0678 4.6574 4.6574 4.7635 4.7635 10.5754 10.5754 10.7093 10.7093 11.1789 11.1789 11.2757 11.2757 k = 0.0000 0.4359 0.2945 ( 4172 PWs) bands (ev): -28.0306 -28.0306 -28.0260 -28.0260 -10.9874 -10.9874 -10.9615 -10.9615 -10.0576 -10.0576 -10.0035 -10.0035 -9.6583 -9.6583 -9.6359 -9.6359 -8.5333 -8.5333 -8.4925 -8.4925 1.4358 1.4358 1.6596 1.6596 2.7274 2.7274 2.8471 2.8471 2.9038 2.9038 3.0601 3.0601 4.6595 4.6595 4.7500 4.7500 10.5858 10.5858 10.6920 10.6920 11.2285 11.2285 11.3570 11.3570 k = 0.0000 0.4487 0.2945 ( 4160 PWs) bands (ev): -28.0300 -28.0300 -28.0263 -28.0263 -10.9870 -10.9870 -10.9661 -10.9661 -10.0543 -10.0543 -10.0109 -10.0109 -9.6553 -9.6553 -9.6373 -9.6373 -8.5258 -8.5258 -8.4929 -8.4929 1.4481 1.4481 1.6281 1.6281 2.7367 2.7367 2.8343 2.8343 2.9212 2.9212 3.0504 3.0504 4.6631 4.6631 4.7369 4.7369 10.5953 10.5953 10.6766 10.6766 11.2804 11.2804 11.4335 11.4335 k = 0.0000 0.4615 0.2945 ( 4160 PWs) bands (ev): -28.0294 -28.0294 -28.0267 -28.0267 -10.9861 -10.9861 -10.9704 -10.9704 -10.0506 -10.0506 -10.0180 -10.0180 -9.6525 -9.6525 -9.6389 -9.6389 -8.5191 -8.5191 -8.4942 -8.4942 1.4628 1.4628 1.5984 1.5984 2.7467 2.7467 2.8205 2.8205 2.9400 2.9400 3.0389 3.0389 4.6682 4.6682 4.7243 4.7243 10.6042 10.6042 10.6630 10.6630 11.3344 11.3344 11.5043 11.5043 k = 0.0000 0.4744 0.2945 ( 4164 PWs) bands (ev): -28.0289 -28.0289 -28.0271 -28.0271 -10.9847 -10.9847 -10.9742 -10.9742 -10.0463 -10.0463 -10.0245 -10.0245 -9.6498 -9.6498 -9.6407 -9.6407 -8.5130 -8.5130 -8.4963 -8.4963 1.4798 1.4798 1.5705 1.5705 2.7573 2.7573 2.8068 2.8068 2.9589 2.9589 3.0256 3.0256 4.6746 4.6746 4.7124 4.7124 10.6128 10.6128 10.6510 10.6510 11.3904 11.3904 11.5686 11.5686 k = 0.0000 0.4872 0.2945 ( 4160 PWs) bands (ev): -28.0284 -28.0284 -28.0275 -28.0275 -10.9828 -10.9828 -10.9776 -10.9776 -10.0416 -10.0416 -10.0307 -10.0307 -9.6472 -9.6472 -9.6427 -9.6427 -8.5076 -8.5076 -8.4993 -8.4993 1.4992 1.4992 1.5446 1.5446 2.7687 2.7687 2.7935 2.7935 2.9771 2.9771 3.0108 3.0108 4.6824 4.6824 4.7014 4.7014 10.6215 10.6215 10.6402 10.6402 11.4483 11.4483 11.5692 11.5692 k = 0.0000 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9805 -10.9805 -10.9805 -10.9805 -10.0363 -10.0363 -10.0363 -10.0363 -9.6449 -9.6449 -9.6449 -9.6449 -8.5030 -8.5030 -8.5030 -8.5030 1.5208 1.5208 1.5208 1.5208 2.7808 2.7808 2.7808 2.7808 2.9945 2.9945 2.9945 2.9945 4.6913 4.6913 4.6913 4.6913 10.6305 10.6305 10.6305 10.6305 11.5080 11.5080 11.5080 11.5080 k = 0.0000 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9805 -10.9805 -10.9805 -10.9805 -10.0363 -10.0363 -10.0363 -10.0363 -9.6449 -9.6449 -9.6449 -9.6449 -8.5030 -8.5030 -8.5030 -8.5030 1.5208 1.5208 1.5208 1.5208 2.7808 2.7808 2.7808 2.7808 2.9945 2.9945 2.9945 2.9945 4.6913 4.6913 4.6913 4.6913 10.6305 10.6305 10.6305 10.6305 11.5080 11.5080 11.5080 11.5080 k = 0.0128 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9806 -10.9806 -10.9801 -10.9801 -10.0372 -10.0372 -10.0351 -10.0351 -9.6460 -9.6460 -9.6441 -9.6441 -8.5036 -8.5036 -8.5033 -8.5033 1.5215 1.5215 1.5217 1.5217 2.7791 2.7791 2.7815 2.7815 2.9936 2.9936 2.9949 2.9949 4.6907 4.6907 4.6917 4.6917 10.6318 10.6318 10.6328 10.6328 11.4997 11.4997 11.5063 11.5063 k = 0.0256 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0278 -28.0278 -28.0278 -28.0278 -10.9804 -10.9804 -10.9795 -10.9795 -10.0378 -10.0378 -10.0336 -10.0336 -9.6476 -9.6476 -9.6438 -9.6438 -8.5051 -8.5051 -8.5045 -8.5045 1.5237 1.5237 1.5242 1.5242 2.7765 2.7765 2.7812 2.7812 2.9921 2.9921 2.9947 2.9947 4.6898 4.6898 4.6917 4.6917 10.6367 10.6367 10.6386 10.6386 11.4840 11.4840 11.4954 11.4954 k = 0.0385 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0278 -28.0278 -28.0278 -28.0278 -10.9800 -10.9800 -10.9787 -10.9787 -10.0380 -10.0380 -10.0318 -10.0318 -9.6495 -9.6495 -9.6438 -9.6438 -8.5075 -8.5075 -8.5066 -8.5066 1.5274 1.5274 1.5281 1.5281 2.7728 2.7728 2.7800 2.7800 2.9901 2.9901 2.9939 2.9939 4.6886 4.6886 4.6913 4.6913 10.6452 10.6452 10.6480 10.6480 11.4640 11.4640 11.4782 11.4782 k = 0.0513 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0277 -28.0277 -28.0277 -28.0277 -10.9794 -10.9794 -10.9776 -10.9776 -10.0379 -10.0379 -10.0296 -10.0296 -9.6518 -9.6518 -9.6442 -9.6442 -8.5107 -8.5107 -8.5096 -8.5096 1.5326 1.5326 1.5336 1.5336 2.7682 2.7682 2.7779 2.7779 2.9874 2.9874 2.9927 2.9927 4.6870 4.6870 4.6907 4.6907 10.6571 10.6571 10.6609 10.6609 11.4416 11.4416 11.4576 11.4576 k = 0.0641 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0275 -28.0275 -28.0275 -28.0275 -10.9786 -10.9786 -10.9763 -10.9763 -10.0375 -10.0375 -10.0271 -10.0271 -9.6545 -9.6545 -9.6450 -9.6450 -8.5148 -8.5148 -8.5134 -8.5134 1.5392 1.5392 1.5406 1.5406 2.7627 2.7627 2.7750 2.7750 2.9842 2.9842 2.9910 2.9910 4.6852 4.6852 4.6897 4.6897 10.6725 10.6725 10.6773 10.6773 11.4180 11.4180 11.4352 11.4352 k = 0.0769 0.5000 0.2945 ( 4172 PWs) bands (ev): -28.0274 -28.0274 -28.0274 -28.0274 -10.9775 -10.9775 -10.9748 -10.9748 -10.0368 -10.0368 -10.0243 -10.0243 -9.6576 -9.6576 -9.6461 -9.6461 -8.5198 -8.5198 -8.5181 -8.5181 1.5472 1.5472 1.5489 1.5489 2.7563 2.7563 2.7714 2.7714 2.9804 2.9804 2.9889 2.9889 4.6830 4.6830 4.6884 4.6884 10.6912 10.6912 10.6969 10.6969 11.3937 11.3937 11.4118 11.4118 k = 0.0897 0.5000 0.2945 ( 4172 PWs) bands (ev): -28.0272 -28.0272 -28.0272 -28.0272 -10.9762 -10.9762 -10.9731 -10.9731 -10.0357 -10.0357 -10.0211 -10.0211 -9.6610 -9.6610 -9.6476 -9.6476 -8.5256 -8.5256 -8.5236 -8.5236 1.5564 1.5564 1.5585 1.5585 2.7492 2.7492 2.7672 2.7672 2.9761 2.9761 2.9863 2.9863 4.6805 4.6805 4.6867 4.6867 10.7132 10.7132 10.7198 10.7198 11.3690 11.3690 11.3879 11.3879 k = 0.1026 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0270 -28.0270 -28.0270 -28.0270 -10.9748 -10.9748 -10.9712 -10.9712 -10.0344 -10.0344 -10.0175 -10.0175 -9.6648 -9.6648 -9.6493 -9.6493 -8.5322 -8.5322 -8.5299 -8.5299 1.5668 1.5668 1.5694 1.5694 2.7413 2.7413 2.7624 2.7624 2.9713 2.9713 2.9834 2.9834 4.6776 4.6776 4.6847 4.6847 10.7382 10.7382 10.7458 10.7458 11.3440 11.3440 11.3637 11.3637 k = 0.1154 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0267 -28.0267 -28.0267 -28.0267 -10.9731 -10.9731 -10.9692 -10.9692 -10.0326 -10.0326 -10.0137 -10.0137 -9.6688 -9.6688 -9.6513 -9.6513 -8.5395 -8.5395 -8.5370 -8.5370 1.5783 1.5783 1.5813 1.5813 2.7329 2.7329 2.7572 2.7572 2.9660 2.9660 2.9801 2.9801 4.6744 4.6744 4.6823 4.6823 10.7660 10.7660 10.7746 10.7746 11.3190 11.3190 11.3396 11.3396 k = 0.1282 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0265 -28.0265 -28.0265 -28.0265 -10.9713 -10.9713 -10.9671 -10.9671 -10.0306 -10.0306 -10.0094 -10.0094 -9.6732 -9.6732 -9.6536 -9.6536 -8.5477 -8.5477 -8.5448 -8.5448 1.5907 1.5907 1.5943 1.5943 2.7239 2.7239 2.7516 2.7516 2.9604 2.9604 2.9766 2.9766 4.6708 4.6708 4.6794 4.6794 10.7964 10.7964 10.8061 10.8061 11.2941 11.2941 11.3158 11.3158 k = 0.1410 0.5000 0.2945 ( 4172 PWs) bands (ev): -28.0262 -28.0262 -28.0262 -28.0262 -10.9694 -10.9694 -10.9648 -10.9648 -10.0282 -10.0282 -10.0048 -10.0048 -9.6778 -9.6778 -9.6561 -9.6561 -8.5565 -8.5565 -8.5534 -8.5534 1.6039 1.6039 1.6082 1.6082 2.7145 2.7145 2.7457 2.7457 2.9543 2.9543 2.9728 2.9728 4.6668 4.6668 4.6762 4.6762 10.8289 10.8289 10.8398 10.8398 11.2697 11.2697 11.2927 11.2927 k = 0.1538 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0259 -28.0259 -28.0259 -28.0259 -10.9674 -10.9674 -10.9624 -10.9624 -10.0255 -10.0255 -9.9999 -9.9999 -9.6826 -9.6826 -9.6588 -9.6588 -8.5660 -8.5660 -8.5627 -8.5627 1.6179 1.6179 1.6228 1.6228 2.7048 2.7048 2.7397 2.7397 2.9480 2.9480 2.9689 2.9689 4.6625 4.6625 4.6725 4.6725 10.8630 10.8630 10.8752 10.8752 11.2464 11.2464 11.2709 11.2709 k = 0.1667 0.5000 0.2945 ( 4176 PWs) bands (ev): -28.0255 -28.0255 -28.0255 -28.0255 -10.9653 -10.9653 -10.9600 -10.9600 -10.0224 -10.0224 -9.9945 -9.9945 -9.6877 -9.6877 -9.6617 -9.6617 -8.5762 -8.5762 -8.5726 -8.5726 1.6324 1.6324 1.6381 1.6381 2.6949 2.6949 2.7335 2.7335 2.9415 2.9415 2.9648 2.9648 4.6578 4.6578 4.6685 4.6685 10.8978 10.8978 10.9115 10.9115 11.2250 11.2250 11.2512 11.2512 k = 0.1795 0.5000 0.2945 ( 4176 PWs) bands (ev): -28.0252 -28.0252 -28.0252 -28.0252 -10.9631 -10.9631 -10.9575 -10.9575 -10.0190 -10.0190 -9.9888 -9.9888 -9.6929 -9.6929 -9.6647 -9.6647 -8.5869 -8.5869 -8.5831 -8.5831 1.6472 1.6472 1.6538 1.6538 2.6849 2.6849 2.7273 2.7273 2.9349 2.9349 2.9606 2.9606 4.6528 4.6528 4.6641 4.6641 10.9317 10.9317 10.9471 10.9471 11.2071 11.2071 11.2352 11.2352 k = 0.1923 0.5000 0.2945 ( 4168 PWs) bands (ev): -28.0249 -28.0249 -28.0249 -28.0249 -10.9608 -10.9608 -10.9550 -10.9550 -10.0152 -10.0152 -9.9828 -9.9828 -9.6983 -9.6983 -9.6678 -9.6678 -8.5982 -8.5982 -8.5941 -8.5941 1.6624 1.6624 1.6699 1.6699 2.6749 2.6749 2.7211 2.7211 2.9282 2.9282 2.9564 2.9564 4.6475 4.6475 4.6593 4.6593 10.9623 10.9623 10.9790 10.9790 11.1955 11.1955 11.2253 11.2253 k = 0.2051 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0245 -28.0245 -28.0245 -28.0245 -10.9585 -10.9585 -10.9525 -10.9525 -10.0111 -10.0111 -9.9764 -9.9764 -9.7039 -9.7039 -9.6710 -9.6710 -8.6099 -8.6099 -8.6057 -8.6057 1.6777 1.6777 1.6861 1.6861 2.6650 2.6650 2.7149 2.7149 2.9217 2.9217 2.9523 2.9523 4.6419 4.6419 4.6541 4.6541 10.9860 10.9860 11.0025 11.0025 11.1951 11.1951 11.2252 11.2252 k = 0.2179 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0241 -28.0241 -28.0241 -28.0241 -10.9562 -10.9562 -10.9500 -10.9500 -10.0066 -10.0066 -9.9696 -9.9696 -9.7095 -9.7095 -9.6743 -9.6743 -8.6221 -8.6221 -8.6177 -8.6177 1.6930 1.6930 1.7024 1.7024 2.6553 2.6553 2.7088 2.7088 2.9154 2.9154 2.9483 2.9483 4.6360 4.6360 4.6487 4.6487 10.9994 10.9994 11.0128 11.0128 11.2106 11.2106 11.2381 11.2381 k = 0.2308 0.5000 0.2945 ( 4152 PWs) bands (ev): -28.0237 -28.0237 -28.0237 -28.0237 -10.9540 -10.9540 -10.9476 -10.9476 -10.0018 -10.0018 -9.9625 -9.9625 -9.7152 -9.7152 -9.6777 -9.6777 -8.6347 -8.6347 -8.6300 -8.6300 1.7082 1.7082 1.7185 1.7185 2.6458 2.6458 2.7027 2.7027 2.9094 2.9094 2.9444 2.9444 4.6299 4.6299 4.6430 4.6430 11.0017 11.0017 11.0102 11.0102 11.2416 11.2416 11.2649 11.2649 k = 0.2436 0.5000 0.2945 ( 4148 PWs) bands (ev): -28.0234 -28.0234 -28.0234 -28.0234 -10.9517 -10.9517 -10.9453 -10.9453 -9.9966 -9.9966 -9.9550 -9.9550 -9.7209 -9.7209 -9.6811 -9.6811 -8.6475 -8.6475 -8.6427 -8.6427 1.7231 1.7231 1.7345 1.7345 2.6367 2.6367 2.6966 2.6966 2.9038 2.9038 2.9407 2.9407 4.6237 4.6237 4.6370 4.6370 10.9953 10.9953 10.9993 10.9993 11.2836 11.2836 11.3030 11.3030 k = 0.2564 0.5000 0.2945 ( 4144 PWs) bands (ev): -28.0230 -28.0230 -28.0230 -28.0230 -10.9495 -10.9495 -10.9431 -10.9431 -9.9911 -9.9911 -9.9472 -9.9472 -9.7267 -9.7267 -9.6845 -9.6845 -8.6606 -8.6606 -8.6556 -8.6556 1.7377 1.7377 1.7500 1.7500 2.6279 2.6279 2.6905 2.6905 2.8989 2.8989 2.9373 2.9373 4.6173 4.6173 4.6308 4.6308 10.9836 10.9836 10.9842 10.9842 11.3324 11.3324 11.3489 11.3489 k = 0.2692 0.5000 0.2945 ( 4144 PWs) bands (ev): -28.0226 -28.0226 -28.0226 -28.0226 -10.9474 -10.9474 -10.9409 -10.9409 -9.9853 -9.9853 -9.9392 -9.9392 -9.7325 -9.7325 -9.6880 -9.6880 -8.6738 -8.6738 -8.6687 -8.6687 1.7518 1.7518 1.7650 1.7650 2.6196 2.6196 2.6844 2.6844 2.8946 2.8946 2.9342 2.9342 4.6109 4.6109 4.6245 4.6245 10.9672 10.9672 10.9691 10.9691 11.3853 11.3853 11.4001 11.4001 k = 0.2821 0.5000 0.2945 ( 4144 PWs) bands (ev): -28.0222 -28.0222 -28.0222 -28.0222 -10.9454 -10.9454 -10.9389 -10.9389 -9.9792 -9.9792 -9.9309 -9.9309 -9.7383 -9.7383 -9.6914 -9.6914 -8.6870 -8.6870 -8.6819 -8.6819 1.7653 1.7653 1.7794 1.7794 2.6118 2.6118 2.6781 2.6781 2.8910 2.8910 2.9314 2.9314 4.6044 4.6044 4.6180 4.6180 10.9498 10.9498 10.9534 10.9534 11.4410 11.4410 11.4547 11.4547 k = 0.2949 0.5000 0.2945 ( 4140 PWs) bands (ev): -28.0219 -28.0219 -28.0218 -28.0218 -10.9434 -10.9434 -10.9370 -10.9370 -9.9729 -9.9729 -9.9223 -9.9223 -9.7441 -9.7441 -9.6949 -9.6949 -8.7003 -8.7003 -8.6951 -8.6951 1.7783 1.7783 1.7931 1.7931 2.6044 2.6044 2.6718 2.6718 2.8883 2.8883 2.9289 2.9289 4.5980 4.5980 4.6116 4.6116 10.9325 10.9325 10.9372 10.9372 11.4986 11.4986 11.5119 11.5119 k = 0.3077 0.5000 0.2945 ( 4140 PWs) bands (ev): -28.0215 -28.0215 -28.0215 -28.0215 -10.9415 -10.9415 -10.9353 -10.9353 -9.9662 -9.9662 -9.9136 -9.9136 -9.7498 -9.7498 -9.6984 -9.6984 -8.7134 -8.7134 -8.7082 -8.7082 1.7905 1.7905 1.8061 1.8061 2.5977 2.5977 2.6652 2.6652 2.8864 2.8864 2.9268 2.9268 4.5917 4.5917 4.6051 4.6051 10.9158 10.9158 10.9213 10.9213 11.5574 11.5574 11.5706 11.5706 k = 0.3205 0.5000 0.2945 ( 4152 PWs) bands (ev): -28.0211 -28.0211 -28.0211 -28.0211 -10.9398 -10.9398 -10.9337 -10.9337 -9.9594 -9.9594 -9.9048 -9.9048 -9.7555 -9.7555 -9.7019 -9.7019 -8.7263 -8.7263 -8.7211 -8.7211 1.8021 1.8021 1.8181 1.8181 2.5915 2.5915 2.6586 2.6586 2.8853 2.8853 2.9251 2.9251 4.5856 4.5856 4.5987 4.5987 10.8999 10.8999 10.9059 10.9059 11.6170 11.6170 11.6303 11.6303 k = 0.3333 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0208 -28.0208 -28.0208 -28.0208 -10.9381 -10.9381 -10.9323 -10.9323 -9.9523 -9.9523 -9.8959 -9.8959 -9.7610 -9.7610 -9.7054 -9.7054 -8.7390 -8.7390 -8.7338 -8.7338 1.8130 1.8130 1.8292 1.8292 2.5859 2.5859 2.6517 2.6517 2.8851 2.8851 2.9237 2.9237 4.5797 4.5797 4.5924 4.5924 10.8851 10.8851 10.8913 10.8913 11.6768 11.6768 11.6904 11.6904 k = 0.3462 0.5000 0.2945 ( 4156 PWs) bands (ev): -28.0205 -28.0205 -28.0205 -28.0205 -10.9366 -10.9366 -10.9310 -10.9310 -9.9451 -9.9451 -9.8870 -9.8870 -9.7664 -9.7664 -9.7090 -9.7090 -8.7512 -8.7512 -8.7461 -8.7461 1.8231 1.8231 1.8394 1.8394 2.5809 2.5809 2.6448 2.6448 2.8857 2.8857 2.9226 2.9226 4.5740 4.5740 4.5863 4.5863 10.8713 10.8713 10.8776 10.8776 11.7366 11.7366 11.7504 11.7504 k = 0.3590 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0202 -28.0202 -28.0202 -28.0202 -10.9352 -10.9352 -10.9299 -10.9299 -9.9377 -9.9377 -9.8783 -9.8783 -9.7716 -9.7716 -9.7126 -9.7126 -8.7629 -8.7629 -8.7580 -8.7580 1.8325 1.8325 1.8486 1.8486 2.5765 2.5765 2.6377 2.6377 2.8869 2.8869 2.9218 2.9218 4.5687 4.5687 4.5804 4.5804 10.8586 10.8586 10.8648 10.8648 11.7957 11.7957 11.8099 11.8099 k = 0.3718 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0199 -28.0199 -28.0199 -28.0199 -10.9339 -10.9339 -10.9289 -10.9289 -9.9303 -9.9303 -9.8699 -9.8699 -9.7765 -9.7765 -9.7164 -9.7164 -8.7740 -8.7740 -8.7693 -8.7693 1.8411 1.8411 1.8568 1.8568 2.5728 2.5728 2.6306 2.6306 2.8887 2.8887 2.9212 2.9212 4.5638 4.5638 4.5748 4.5748 10.8471 10.8471 10.8531 10.8531 11.8538 11.8538 11.8683 11.8683 k = 0.3846 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0196 -28.0196 -28.0196 -28.0196 -10.9327 -10.9327 -10.9281 -10.9281 -9.9228 -9.9228 -9.8619 -9.8619 -9.7809 -9.7809 -9.7203 -9.7203 -8.7844 -8.7844 -8.7799 -8.7799 1.8490 1.8490 1.8641 1.8641 2.5698 2.5698 2.6235 2.6235 2.8910 2.8910 2.9208 2.9208 4.5593 4.5593 4.5695 4.5695 10.8369 10.8369 10.8425 10.8425 11.9104 11.9104 11.9250 11.9250 k = 0.3974 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0194 -28.0194 -28.0194 -28.0194 -10.9316 -10.9316 -10.9274 -10.9274 -9.9153 -9.9153 -9.8548 -9.8548 -9.7847 -9.7847 -9.7243 -9.7243 -8.7940 -8.7940 -8.7898 -8.7898 1.8562 1.8562 1.8703 1.8703 2.5674 2.5674 2.6166 2.6166 2.8936 2.8936 2.9205 2.9205 4.5552 4.5552 4.5645 4.5645 10.8277 10.8277 10.8330 10.8330 11.9649 11.9649 11.9794 11.9794 k = 0.4103 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0192 -28.0192 -28.0192 -28.0192 -10.9306 -10.9306 -10.9269 -10.9269 -9.9078 -9.9078 -9.8489 -9.8489 -9.7874 -9.7874 -9.7286 -9.7286 -8.8027 -8.8027 -8.7989 -8.7989 1.8626 1.8626 1.8756 1.8756 2.5657 2.5657 2.6098 2.6098 2.8965 2.8965 2.9203 2.9203 4.5516 4.5516 4.5600 4.5600 10.8198 10.8198 10.8245 10.8245 12.0166 12.0166 12.0308 12.0308 k = 0.4231 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0190 -28.0190 -28.0190 -28.0190 -10.9297 -10.9297 -10.9265 -10.9265 -9.9003 -9.9003 -9.8447 -9.8447 -9.7887 -9.7887 -9.7330 -9.7330 -8.8104 -8.8104 -8.8070 -8.8070 1.8683 1.8683 1.8799 1.8799 2.5647 2.5647 2.6033 2.6033 2.8994 2.8994 2.9200 2.9200 4.5486 4.5486 4.5559 4.5559 10.8130 10.8130 10.8172 10.8172 12.0648 12.0648 12.0784 12.0784 k = 0.4359 0.5000 0.2945 ( 4160 PWs) bands (ev): -28.0188 -28.0188 -28.0188 -28.0188 -10.9289 -10.9289 -10.9262 -10.9262 -9.8930 -9.8930 -9.8427 -9.8427 -9.7880 -9.7880 -9.7377 -9.7377 -8.8170 -8.8170 -8.8141 -8.8141 1.8733 1.8733 1.8834 1.8834 2.5644 2.5644 2.5971 2.5971 2.9023 2.9023 2.9196 2.9196 4.5461 4.5461 4.5523 4.5523 10.8074 10.8074 10.8110 10.8110 12.1087 12.1087 12.1212 12.1212 k = 0.4487 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0187 -28.0187 -28.0187 -28.0187 -10.9283 -10.9283 -10.9260 -10.9260 -9.8858 -9.8858 -9.8431 -9.8431 -9.7854 -9.7854 -9.7426 -9.7426 -8.8224 -8.8224 -8.8200 -8.8200 1.8776 1.8776 1.8859 1.8859 2.5648 2.5648 2.5913 2.5913 2.9052 2.9052 2.9191 2.9191 4.5441 4.5441 4.5492 4.5492 10.8029 10.8029 10.8058 10.8058 12.1472 12.1472 12.1581 12.1581 k = 0.4615 0.5000 0.2945 ( 4172 PWs) bands (ev): -28.0186 -28.0186 -28.0186 -28.0186 -10.9277 -10.9277 -10.9260 -10.9260 -9.8788 -9.8788 -9.8455 -9.8455 -9.7813 -9.7813 -9.7478 -9.7478 -8.8267 -8.8267 -8.8248 -8.8248 1.8813 1.8813 1.8876 1.8876 2.5658 2.5658 2.5860 2.5860 2.9079 2.9079 2.9183 2.9183 4.5427 4.5427 4.5466 4.5466 10.7995 10.7995 10.8017 10.8017 12.1793 12.1793 12.1882 12.1882 k = 0.4744 0.5000 0.2945 ( 4184 PWs) bands (ev): -28.0185 -28.0185 -28.0185 -28.0185 -10.9272 -10.9272 -10.9260 -10.9260 -9.8721 -9.8721 -9.8493 -9.8493 -9.7761 -9.7761 -9.7532 -9.7532 -8.8296 -8.8296 -8.8284 -8.8284 1.8842 1.8842 1.8885 1.8885 2.5676 2.5676 2.5811 2.5811 2.9104 2.9104 2.9173 2.9173 4.5419 4.5419 4.5445 4.5445 10.7972 10.7972 10.7987 10.7987 12.2039 12.2039 12.2102 12.2102 k = 0.4872 0.5000 0.2945 ( 4184 PWs) bands (ev): -28.0185 -28.0185 -28.0185 -28.0185 -10.9267 -10.9267 -10.9262 -10.9262 -9.8657 -9.8657 -9.8541 -9.8541 -9.7705 -9.7705 -9.7589 -9.7589 -8.8313 -8.8313 -8.8307 -8.8307 1.8864 1.8864 1.8885 1.8885 2.5700 2.5700 2.5768 2.5768 2.9126 2.9126 2.9160 2.9160 4.5417 4.5417 4.5430 4.5430 10.7960 10.7960 10.7967 10.7967 12.2198 12.2198 12.2231 12.2231 k = 0.5000 0.5000 0.2945 ( 4176 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9264 -10.9264 -10.9264 -10.9264 -9.8596 -9.8596 -9.8596 -9.8596 -9.7647 -9.7647 -9.7647 -9.7647 -8.8316 -8.8316 -8.8316 -8.8316 1.8878 1.8878 1.8878 1.8878 2.5731 2.5731 2.5731 2.5731 2.9144 2.9144 2.9144 2.9144 4.5420 4.5420 4.5420 4.5420 10.7958 10.7958 10.7958 10.7958 12.2264 12.2264 12.2264 12.2264 k = 0.5000 0.5000 0.2945 ( 4176 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9264 -10.9264 -10.9264 -10.9264 -9.8596 -9.8596 -9.8596 -9.8596 -9.7647 -9.7647 -9.7647 -9.7647 -8.8316 -8.8316 -8.8316 -8.8316 1.8878 1.8878 1.8878 1.8878 2.5731 2.5731 2.5731 2.5731 2.9144 2.9144 2.9144 2.9144 4.5420 4.5420 4.5420 4.5420 10.7958 10.7958 10.7958 10.7958 12.2264 12.2264 12.2264 12.2264 k = 0.4909 0.4909 0.2945 ( 4180 PWs) bands (ev): -28.0185 -28.0185 -28.0184 -28.0184 -10.9267 -10.9267 -10.9262 -10.9262 -9.8657 -9.8657 -9.8541 -9.8541 -9.7705 -9.7705 -9.7588 -9.7588 -8.8313 -8.8313 -8.8307 -8.8307 1.8861 1.8861 1.8888 1.8888 2.5698 2.5698 2.5770 2.5770 2.9125 2.9125 2.9161 2.9161 4.5416 4.5416 4.5430 4.5430 10.7956 10.7956 10.7971 10.7971 12.2166 12.2166 12.2264 12.2264 k = 0.4818 0.4818 0.2945 ( 4180 PWs) bands (ev): -28.0185 -28.0185 -28.0185 -28.0185 -10.9271 -10.9271 -10.9260 -10.9260 -9.8721 -9.8721 -9.8493 -9.8493 -9.7762 -9.7762 -9.7532 -9.7532 -8.8296 -8.8296 -8.8284 -8.8284 1.8823 1.8823 1.8904 1.8904 2.5658 2.5658 2.5827 2.5827 2.9102 2.9102 2.9175 2.9175 4.5416 4.5416 4.5448 4.5448 10.7953 10.7953 10.8006 10.8006 12.1892 12.1892 12.2255 12.2255 k = 0.4727 0.4727 0.2945 ( 4168 PWs) bands (ev): -28.0187 -28.0187 -28.0185 -28.0185 -10.9276 -10.9276 -10.9260 -10.9260 -9.8788 -9.8788 -9.8454 -9.8454 -9.7815 -9.7815 -9.7477 -9.7477 -8.8267 -8.8267 -8.8248 -8.8248 1.8765 1.8765 1.8928 1.8928 2.5604 2.5604 2.5907 2.5907 2.9074 2.9074 2.9190 2.9190 4.5419 4.5419 4.5475 4.5475 10.7950 10.7950 10.8063 10.8063 12.1471 12.1471 12.2241 12.2241 k = 0.4636 0.4636 0.2945 ( 4170 PWs) bands (ev): -28.0188 -28.0188 -28.0185 -28.0185 -10.9281 -10.9281 -10.9261 -10.9261 -9.8857 -9.8857 -9.8429 -9.8429 -9.7859 -9.7859 -9.7424 -9.7424 -8.8225 -8.8225 -8.8199 -8.8199 1.8689 1.8689 1.8962 1.8962 2.5531 2.5531 2.6008 2.6008 2.9044 2.9044 2.9206 2.9206 4.5424 4.5424 4.5511 4.5511 10.7945 10.7945 10.8144 10.8144 12.0940 12.0940 12.2221 12.2221 k = 0.4545 0.4545 0.2945 ( 4158 PWs) bands (ev): -28.0191 -28.0191 -28.0186 -28.0186 -10.9287 -10.9287 -10.9263 -10.9263 -9.8927 -9.8927 -9.8422 -9.8422 -9.7892 -9.7892 -9.7374 -9.7374 -8.8172 -8.8172 -8.8139 -8.8139 1.8599 1.8599 1.9005 1.9005 2.5434 2.5434 2.6130 2.6130 2.9012 2.9012 2.9224 2.9224 4.5432 4.5432 4.5558 4.5558 10.7940 10.7940 10.8246 10.8246 12.0336 12.0336 12.2195 12.2195 k = 0.4455 0.4455 0.2945 ( 4156 PWs) bands (ev): -28.0193 -28.0193 -28.0187 -28.0187 -10.9292 -10.9292 -10.9266 -10.9266 -9.8997 -9.8997 -9.8435 -9.8435 -9.7908 -9.7908 -9.7327 -9.7327 -8.8108 -8.8108 -8.8069 -8.8069 1.8498 1.8498 1.9057 1.9057 2.5311 2.5311 2.6267 2.6267 2.8983 2.8983 2.9245 2.9245 4.5442 4.5442 4.5614 4.5614 10.7936 10.7936 10.8371 10.8371 11.9689 11.9689 12.2165 12.2165 k = 0.4364 0.4364 0.2945 ( 4156 PWs) bands (ev): -28.0196 -28.0196 -28.0187 -28.0187 -10.9298 -10.9298 -10.9271 -10.9271 -9.9068 -9.9068 -9.8467 -9.8467 -9.7910 -9.7910 -9.7281 -9.7281 -8.8035 -8.8035 -8.7988 -8.7988 1.8393 1.8393 1.9119 1.9119 2.5159 2.5159 2.6414 2.6414 2.8958 2.8958 2.9270 2.9270 4.5457 4.5457 4.5679 4.5679 10.7934 10.7934 10.8517 10.8517 11.9025 11.9025 12.2128 12.2128 k = 0.4273 0.4273 0.2945 ( 4156 PWs) bands (ev): -28.0200 -28.0200 -28.0188 -28.0188 -10.9304 -10.9304 -10.9276 -10.9276 -9.9138 -9.9138 -9.8514 -9.8514 -9.7900 -9.7900 -9.7238 -9.7238 -8.7953 -8.7953 -8.7899 -8.7899 1.8286 1.8286 1.9190 1.9190 2.4978 2.4978 2.6568 2.6568 2.8942 2.8942 2.9297 2.9297 4.5475 4.5475 4.5754 4.5754 10.7935 10.7935 10.8684 10.8684 11.8362 11.8362 12.2086 12.2086 k = 0.4182 0.4182 0.2945 ( 4152 PWs) bands (ev): -28.0204 -28.0204 -28.0189 -28.0189 -10.9309 -10.9309 -10.9282 -10.9282 -9.9208 -9.9208 -9.8571 -9.8571 -9.7882 -9.7882 -9.7197 -9.7197 -8.7863 -8.7863 -8.7802 -8.7802 1.8182 1.8182 1.9271 1.9271 2.4765 2.4765 2.6724 2.6724 2.8936 2.8936 2.9329 2.9329 4.5498 4.5498 4.5839 4.5839 10.7941 10.7941 10.8870 10.8870 11.7712 11.7712 12.2037 12.2037 k = 0.4091 0.4091 0.2945 ( 4156 PWs) bands (ev): -28.0209 -28.0209 -28.0190 -28.0190 -10.9315 -10.9315 -10.9288 -10.9288 -9.9277 -9.9277 -9.8632 -9.8632 -9.7860 -9.7860 -9.7157 -9.7157 -8.7768 -8.7768 -8.7699 -8.7699 1.8086 1.8086 1.9361 1.9361 2.4522 2.4522 2.6878 2.6878 2.8941 2.8941 2.9364 2.9364 4.5525 4.5525 4.5932 4.5932 10.7950 10.7950 10.9077 10.9077 11.7088 11.7088 12.1979 12.1979 k = 0.4000 0.4000 0.2945 ( 4156 PWs) bands (ev): -28.0213 -28.0213 -28.0192 -28.0192 -10.9322 -10.9322 -10.9293 -10.9293 -9.9344 -9.9344 -9.8695 -9.8695 -9.7836 -9.7836 -9.7120 -9.7120 -8.7670 -8.7670 -8.7591 -8.7591 1.7999 1.7999 1.9460 1.9460 2.4250 2.4250 2.7027 2.7027 2.8959 2.8959 2.9403 2.9403 4.5558 4.5558 4.6033 4.6033 10.7965 10.7965 10.9301 10.9301 11.6497 11.6497 12.1908 12.1908 k = 0.3909 0.3909 0.2945 ( 4152 PWs) bands (ev): -28.0219 -28.0219 -28.0193 -28.0193 -10.9329 -10.9329 -10.9297 -10.9297 -9.9411 -9.9411 -9.8757 -9.8757 -9.7813 -9.7813 -9.7083 -9.7083 -8.7569 -8.7569 -8.7479 -8.7479 1.7926 1.7926 1.9567 1.9567 2.3951 2.3951 2.7166 2.7166 2.8990 2.8990 2.9448 2.9448 4.5596 4.5596 4.6142 4.6142 10.7983 10.7983 10.9544 10.9544 11.5948 11.5948 12.1818 12.1818 k = 0.3818 0.3818 0.2945 ( 4152 PWs) bands (ev): -28.0224 -28.0224 -28.0194 -28.0194 -10.9339 -10.9339 -10.9298 -10.9298 -9.9477 -9.9477 -9.8815 -9.8815 -9.7790 -9.7790 -9.7048 -9.7048 -8.7467 -8.7467 -8.7363 -8.7363 1.7869 1.7869 1.9684 1.9684 2.3627 2.3627 2.7295 2.7295 2.9033 2.9033 2.9496 2.9496 4.5640 4.5640 4.6259 4.6259 10.8005 10.8005 10.9803 10.9803 11.5446 11.5446 12.1699 12.1699 k = 0.3727 0.3727 0.2945 ( 4144 PWs) bands (ev): -28.0231 -28.0231 -28.0196 -28.0196 -10.9349 -10.9349 -10.9297 -10.9297 -9.9542 -9.9542 -9.8869 -9.8869 -9.7769 -9.7769 -9.7014 -9.7014 -8.7367 -8.7367 -8.7244 -8.7244 1.7829 1.7829 1.9810 1.9810 2.3282 2.3282 2.7410 2.7410 2.9086 2.9086 2.9550 2.9550 4.5690 4.5690 4.6383 4.6383 10.8026 10.8026 11.0079 11.0079 11.4999 11.4999 12.1532 12.1532 k = 0.3636 0.3636 0.2945 ( 4136 PWs) bands (ev): -28.0237 -28.0237 -28.0197 -28.0197 -10.9360 -10.9360 -10.9294 -10.9294 -9.9605 -9.9605 -9.8916 -9.8916 -9.7750 -9.7750 -9.6981 -9.6981 -8.7270 -8.7270 -8.7125 -8.7125 1.7810 1.7810 1.9944 1.9944 2.2921 2.2921 2.7510 2.7510 2.9149 2.9149 2.9609 2.9609 4.5744 4.5744 4.6513 4.6513 10.8044 10.8044 11.0369 11.0369 11.4614 11.4614 12.1288 12.1288 k = 0.3545 0.3545 0.2945 ( 4140 PWs) bands (ev): -28.0244 -28.0244 -28.0199 -28.0199 -10.9372 -10.9372 -10.9287 -10.9287 -9.9667 -9.9667 -9.8956 -9.8956 -9.7732 -9.7732 -9.6948 -9.6948 -8.7177 -8.7177 -8.7005 -8.7005 1.7811 1.7811 2.0086 2.0086 2.2545 2.2545 2.7594 2.7594 2.9220 2.9220 2.9672 2.9672 4.5804 4.5804 4.6649 4.6649 10.8052 10.8052 11.0674 11.0674 11.4297 11.4297 12.0925 12.0925 k = 0.3455 0.3455 0.2945 ( 4144 PWs) bands (ev): -28.0251 -28.0251 -28.0201 -28.0201 -10.9384 -10.9384 -10.9279 -10.9279 -9.9728 -9.9728 -9.8989 -9.8989 -9.7716 -9.7716 -9.6917 -9.6917 -8.7089 -8.7089 -8.6887 -8.6887 1.7835 1.7835 2.0236 2.0236 2.2160 2.2160 2.7661 2.7661 2.9298 2.9298 2.9741 2.9741 4.5869 4.5869 4.6791 4.6791 10.8045 10.8045 11.0991 11.0991 11.4056 11.4056 12.0400 12.0400 k = 0.3364 0.3364 0.2945 ( 4140 PWs) bands (ev): -28.0258 -28.0258 -28.0203 -28.0203 -10.9396 -10.9396 -10.9267 -10.9267 -9.9786 -9.9786 -9.9014 -9.9014 -9.7701 -9.7701 -9.6886 -9.6886 -8.7008 -8.7008 -8.6771 -8.6771 1.7881 1.7881 2.0394 2.0394 2.1770 2.1770 2.7711 2.7711 2.9382 2.9382 2.9815 2.9815 4.5938 4.5938 4.6936 4.6936 10.8015 10.8015 11.1321 11.1321 11.3896 11.3896 11.9690 11.9690 k = 0.3273 0.3273 0.2945 ( 4140 PWs) bands (ev): -28.0266 -28.0266 -28.0205 -28.0205 -10.9407 -10.9407 -10.9253 -10.9253 -9.9841 -9.9841 -9.9030 -9.9030 -9.7688 -9.7688 -9.6857 -9.6857 -8.6934 -8.6934 -8.6659 -8.6659 1.7951 1.7951 2.0557 2.0557 2.1379 2.1379 2.7744 2.7744 2.9469 2.9469 2.9893 2.9893 4.6012 4.6012 4.7085 4.7085 10.7960 10.7960 11.1662 11.1662 11.3821 11.3821 11.8814 11.8814 k = 0.3182 0.3182 0.2945 ( 4140 PWs) bands (ev): -28.0274 -28.0274 -28.0207 -28.0207 -10.9418 -10.9418 -10.9237 -10.9237 -9.9894 -9.9894 -9.9039 -9.9039 -9.7676 -9.7676 -9.6827 -9.6827 -8.6869 -8.6869 -8.6552 -8.6552 1.8044 1.8044 2.0715 2.0715 2.1003 2.1003 2.7761 2.7761 2.9560 2.9560 2.9975 2.9975 4.6090 4.6090 4.7237 4.7237 10.7875 10.7875 11.2012 11.2012 11.3827 11.3827 11.7815 11.7815 k = 0.3091 0.3091 0.2945 ( 4148 PWs) bands (ev): -28.0282 -28.0282 -28.0209 -28.0209 -10.9427 -10.9427 -10.9217 -10.9217 -9.9943 -9.9943 -9.9039 -9.9039 -9.7665 -9.7665 -9.6799 -9.6799 -8.6813 -8.6813 -8.6451 -8.6451 1.8160 1.8160 2.0572 2.0572 2.0940 2.0940 2.7764 2.7764 2.9653 2.9653 3.0060 3.0060 4.6171 4.6171 4.7390 4.7390 10.7764 10.7764 11.2371 11.2371 11.3907 11.3907 11.6734 11.6734 k = 0.3000 0.3000 0.2945 ( 4144 PWs) bands (ev): -28.0290 -28.0290 -28.0211 -28.0211 -10.9436 -10.9436 -10.9195 -10.9195 -9.9989 -9.9989 -9.9031 -9.9031 -9.7655 -9.7655 -9.6771 -9.6771 -8.6767 -8.6767 -8.6357 -8.6357 1.8298 1.8298 2.0203 2.0203 2.1117 2.1117 2.7753 2.7753 2.9747 2.9747 3.0147 3.0147 4.6255 4.6255 4.7544 4.7544 10.7629 10.7629 11.2736 11.2736 11.4042 11.4042 11.5602 11.5602 k = 0.2909 0.2909 0.2945 ( 4152 PWs) bands (ev): -28.0299 -28.0299 -28.0213 -28.0213 -10.9442 -10.9442 -10.9170 -10.9170 -10.0030 -10.0030 -9.9015 -9.9015 -9.7645 -9.7645 -9.6745 -9.6745 -8.6730 -8.6730 -8.6272 -8.6272 1.8456 1.8456 1.9836 1.9836 2.1310 2.1310 2.7731 2.7731 2.9842 2.9842 3.0235 3.0235 4.6343 4.6343 4.7698 4.7698 10.7476 10.7476 11.3102 11.3102 11.4202 11.4202 11.4446 11.4446 k = 0.2818 0.2818 0.2945 ( 4156 PWs) bands (ev): -28.0307 -28.0307 -28.0216 -28.0216 -10.9447 -10.9447 -10.9142 -10.9142 -10.0067 -10.0067 -9.8992 -9.8992 -9.7636 -9.7636 -9.6719 -9.6719 -8.6704 -8.6704 -8.6195 -8.6195 1.8633 1.8633 1.9480 1.9480 2.1510 2.1510 2.7702 2.7702 2.9938 2.9938 3.0322 3.0322 4.6433 4.6433 4.7851 4.7851 10.7313 10.7313 11.3184 11.3184 11.3556 11.3556 11.4342 11.4342 k = 0.2727 0.2727 0.2945 ( 4160 PWs) bands (ev): -28.0316 -28.0316 -28.0218 -28.0218 -10.9450 -10.9450 -10.9112 -10.9112 -10.0099 -10.0099 -9.8961 -9.8961 -9.7626 -9.7626 -9.6695 -9.6695 -8.6689 -8.6689 -8.6129 -8.6129 1.8824 1.8824 1.9142 1.9142 2.1717 2.1717 2.7667 2.7667 3.0032 3.0032 3.0408 3.0408 4.6526 4.6526 4.8001 4.8001 10.7145 10.7145 11.2043 11.2043 11.3886 11.3886 11.4357 11.4357 k = 0.2636 0.2636 0.2945 ( 4146 PWs) bands (ev): -28.0325 -28.0325 -28.0220 -28.0220 -10.9451 -10.9451 -10.9080 -10.9080 -10.0125 -10.0125 -9.8923 -9.8923 -9.7617 -9.7617 -9.6671 -9.6671 -8.6684 -8.6684 -8.6074 -8.6074 1.8812 1.8812 1.9039 1.9039 2.1929 2.1929 2.7631 2.7631 3.0123 3.0123 3.0494 3.0494 4.6621 4.6621 4.8148 4.8148 10.6977 10.6977 11.0856 11.0856 11.3883 11.3883 11.4143 11.4143 k = 0.2545 0.2545 0.2945 ( 4146 PWs) bands (ev): -28.0333 -28.0333 -28.0223 -28.0223 -10.9449 -10.9449 -10.9045 -10.9045 -10.0147 -10.0147 -9.8879 -9.8879 -9.7607 -9.7607 -9.6649 -9.6649 -8.6690 -8.6690 -8.6030 -8.6030 1.8512 1.8512 1.9253 1.9253 2.2147 2.2147 2.7599 2.7599 3.0208 3.0208 3.0580 3.0580 4.6719 4.6719 4.8290 4.8290 10.6815 10.6815 10.9671 10.9671 11.3145 11.3145 11.3642 11.3642 k = 0.2455 0.2455 0.2945 ( 4146 PWs) bands (ev): -28.0342 -28.0342 -28.0225 -28.0225 -10.9445 -10.9445 -10.9009 -10.9009 -10.0163 -10.0163 -9.8828 -9.8828 -9.7596 -9.7596 -9.6629 -9.6629 -8.6707 -8.6707 -8.5998 -8.5998 1.8232 1.8232 1.9475 1.9475 2.2369 2.2369 2.7573 2.7573 3.0282 3.0282 3.0669 3.0669 4.6818 4.6818 4.8427 4.8427 10.6659 10.6659 10.8498 10.8498 11.2435 11.2435 11.2933 11.2933 k = 0.2364 0.2364 0.2945 ( 4146 PWs) bands (ev): -28.0351 -28.0351 -28.0227 -28.0227 -10.9438 -10.9438 -10.8971 -10.8971 -10.0173 -10.0173 -9.8771 -9.8771 -9.7584 -9.7584 -9.6610 -9.6610 -8.6734 -8.6734 -8.5979 -8.5979 1.7974 1.7974 1.9698 1.9698 2.2595 2.2595 2.7561 2.7561 3.0341 3.0341 3.0764 3.0764 4.6919 4.6919 4.8557 4.8557 10.6504 10.6504 10.7350 10.7350 11.1762 11.1762 11.2115 11.2115 k = 0.2273 0.2273 0.2945 ( 4150 PWs) bands (ev): -28.0360 -28.0360 -28.0230 -28.0230 -10.9428 -10.9428 -10.8931 -10.8931 -10.0177 -10.0177 -9.8708 -9.8708 -9.7571 -9.7571 -9.6593 -9.6593 -8.6771 -8.6771 -8.5972 -8.5972 1.7742 1.7742 1.9917 1.9917 2.2824 2.2824 2.7568 2.7568 3.0380 3.0380 3.0868 3.0868 4.7022 4.7022 4.8680 4.8680 10.6087 10.6087 10.6496 10.6496 11.1118 11.1118 11.1256 11.1256 k = 0.2182 0.2182 0.2945 ( 4154 PWs) bands (ev): -28.0369 -28.0369 -28.0232 -28.0232 -10.9415 -10.9415 -10.8891 -10.8891 -10.0175 -10.0175 -9.8641 -9.8641 -9.7556 -9.7556 -9.6577 -9.6577 -8.6817 -8.6817 -8.5979 -8.5979 1.7534 1.7534 2.0125 2.0125 2.3056 2.3056 2.7599 2.7599 3.0398 3.0398 3.0980 3.0980 4.7126 4.7126 4.8794 4.8794 10.5018 10.5018 10.6331 10.6331 11.0323 11.0323 11.0567 11.0567 k = 0.2091 0.2091 0.2945 ( 4170 PWs) bands (ev): -28.0378 -28.0378 -28.0234 -28.0234 -10.9400 -10.9400 -10.8850 -10.8850 -10.0167 -10.0167 -9.8569 -9.8569 -9.7539 -9.7539 -9.6564 -9.6564 -8.6872 -8.6872 -8.5998 -8.5998 1.7354 1.7354 2.0317 2.0317 2.3290 2.3290 2.7660 2.7660 3.0393 3.0393 3.1102 3.1102 4.7232 4.7232 4.8898 4.8898 10.3920 10.3920 10.6237 10.6237 10.9422 10.9422 11.0023 11.0023 k = 0.2000 0.2000 0.2945 ( 4166 PWs) bands (ev): -28.0386 -28.0386 -28.0237 -28.0237 -10.9382 -10.9382 -10.8809 -10.8809 -10.0153 -10.0153 -9.8494 -9.8494 -9.7520 -9.7520 -9.6553 -9.6553 -8.6936 -8.6936 -8.6030 -8.6030 1.7200 1.7200 2.0487 2.0487 2.3525 2.3525 2.7756 2.7756 3.0366 3.0366 3.1231 3.1231 4.7339 4.7339 4.8992 4.8992 10.2841 10.2841 10.6167 10.6167 10.8517 10.8517 10.9531 10.9531 k = 0.1909 0.1909 0.2945 ( 4164 PWs) bands (ev): -28.0394 -28.0394 -28.0239 -28.0239 -10.9361 -10.9361 -10.8768 -10.8768 -10.0133 -10.0133 -9.8417 -9.8417 -9.7497 -9.7497 -9.6544 -9.6544 -8.7006 -8.7006 -8.6075 -8.6075 1.7074 1.7074 2.0631 2.0631 2.3760 2.3760 2.7892 2.7892 3.0316 3.0316 3.1366 3.1366 4.7448 4.7448 4.9075 4.9075 10.1789 10.1789 10.6116 10.6116 10.7624 10.7624 10.9090 10.9090 k = 0.1818 0.1818 0.2945 ( 4172 PWs) bands (ev): -28.0403 -28.0403 -28.0241 -28.0241 -10.9338 -10.9338 -10.8727 -10.8727 -10.0106 -10.0106 -9.8339 -9.8339 -9.7470 -9.7470 -9.6538 -9.6538 -8.7083 -8.7083 -8.6133 -8.6133 1.6976 1.6976 2.0745 2.0745 2.3994 2.3994 2.8068 2.8068 3.0245 3.0245 3.1507 3.1507 4.7557 4.7557 4.9147 4.9147 10.0766 10.0766 10.6063 10.6063 10.6767 10.6767 10.8700 10.8700 k = 0.1727 0.1727 0.2945 ( 4162 PWs) bands (ev): -28.0411 -28.0411 -28.0243 -28.0243 -10.9312 -10.9312 -10.8687 -10.8687 -10.0074 -10.0074 -9.8262 -9.8262 -9.7437 -9.7437 -9.6534 -9.6534 -8.7166 -8.7166 -8.6202 -8.6202 1.6904 1.6904 2.0829 2.0829 2.4226 2.4226 2.8285 2.8285 3.0152 3.0152 3.1651 3.1651 4.7666 4.7666 4.9207 4.9207 9.9775 9.9775 10.5725 10.5725 10.6235 10.6235 10.8363 10.8363 k = 0.1636 0.1636 0.2945 ( 4156 PWs) bands (ev): -28.0418 -28.0418 -28.0245 -28.0245 -10.9284 -10.9284 -10.8649 -10.8649 -10.0035 -10.0035 -9.8187 -9.8187 -9.7399 -9.7399 -9.6532 -9.6532 -8.7253 -8.7253 -8.6282 -8.6282 1.6860 1.6860 2.0882 2.0882 2.4454 2.4454 2.8542 2.8542 3.0039 3.0039 3.1800 3.1800 4.7775 4.7775 4.9255 4.9255 9.8819 9.8819 10.4932 10.4932 10.6199 10.6199 10.8078 10.8078 k = 0.1545 0.1545 0.2945 ( 4164 PWs) bands (ev): -28.0426 -28.0426 -28.0247 -28.0247 -10.9253 -10.9253 -10.8613 -10.8613 -9.9991 -9.9991 -9.8117 -9.8117 -9.7352 -9.7352 -9.6533 -9.6533 -8.7344 -8.7344 -8.6373 -8.6373 1.6841 1.6841 2.0907 2.0907 2.4679 2.4679 2.8833 2.8833 2.9906 2.9906 3.1950 3.1950 4.7883 4.7883 4.9291 4.9291 9.7899 9.7899 10.4108 10.4108 10.6242 10.6242 10.7847 10.7847 k = 0.1455 0.1455 0.2945 ( 4164 PWs) bands (ev): -28.0433 -28.0433 -28.0249 -28.0249 -10.9221 -10.9221 -10.8578 -10.8578 -9.9941 -9.9941 -9.8054 -9.8054 -9.7296 -9.7296 -9.6536 -9.6536 -8.7437 -8.7437 -8.6473 -8.6473 1.6848 1.6848 2.0907 2.0907 2.4898 2.4898 2.9151 2.9151 2.9757 2.9757 3.2103 3.2103 4.7990 4.7990 4.9316 4.9316 9.7018 9.7018 10.3300 10.3300 10.6316 10.6316 10.7669 10.7669 k = 0.1364 0.1364 0.2945 ( 4152 PWs) bands (ev): -28.0440 -28.0440 -28.0251 -28.0251 -10.9187 -10.9187 -10.8546 -10.8546 -9.9886 -9.9886 -9.7999 -9.7999 -9.7232 -9.7232 -9.6541 -9.6541 -8.7531 -8.7531 -8.6581 -8.6581 1.6879 1.6879 2.0885 2.0885 2.5110 2.5110 2.9458 2.9458 2.9626 2.9626 3.2257 3.2257 4.8095 4.8095 4.9330 4.9330 9.6178 9.6178 10.2516 10.2516 10.6417 10.6417 10.7544 10.7544 k = 0.1273 0.1273 0.2945 ( 4144 PWs) bands (ev): -28.0447 -28.0447 -28.0253 -28.0253 -10.9151 -10.9151 -10.8517 -10.8517 -9.9825 -9.9825 -9.7954 -9.7954 -9.7159 -9.7159 -9.6548 -9.6548 -8.7625 -8.7625 -8.6697 -8.6697 1.6932 1.6932 2.0846 2.0846 2.5315 2.5315 2.9380 2.9380 2.9881 2.9881 3.2411 3.2411 4.8198 4.8198 4.9333 4.9333 9.5381 9.5381 10.1762 10.1762 10.6541 10.6541 10.7471 10.7471 k = 0.1182 0.1182 0.2945 ( 4150 PWs) bands (ev): -28.0453 -28.0453 -28.0255 -28.0255 -10.9115 -10.9115 -10.8491 -10.8491 -9.9761 -9.9761 -9.7917 -9.7917 -9.7079 -9.7079 -9.6555 -9.6555 -8.7718 -8.7718 -8.6818 -8.6818 1.7006 1.7006 2.0794 2.0794 2.5511 2.5511 2.9189 2.9189 3.0246 3.0246 3.2566 3.2566 4.8297 4.8297 4.9327 4.9327 9.4629 9.4629 10.1041 10.1041 10.6686 10.6686 10.7449 10.7449 k = 0.1091 0.1091 0.2945 ( 4150 PWs) bands (ev): -28.0459 -28.0459 -28.0256 -28.0256 -10.9078 -10.9078 -10.8467 -10.8467 -9.9693 -9.9693 -9.7890 -9.7890 -9.6996 -9.6996 -9.6560 -9.6560 -8.7808 -8.7808 -8.6944 -8.6944 1.7097 1.7097 2.0732 2.0732 2.5696 2.5696 2.8983 2.8983 3.0617 3.0617 3.2719 3.2719 4.8392 4.8392 4.9312 4.9312 9.3924 9.3924 10.0355 10.0355 10.6850 10.6850 10.7476 10.7476 k = 0.1000 0.1000 0.2945 ( 4158 PWs) bands (ev): -28.0464 -28.0464 -28.0258 -28.0258 -10.9040 -10.9040 -10.8447 -10.8447 -9.9621 -9.9621 -9.7870 -9.7870 -9.6915 -9.6915 -9.6562 -9.6562 -8.7894 -8.7894 -8.7072 -8.7072 1.7204 1.7204 2.0664 2.0664 2.5869 2.5869 2.8770 2.8770 3.0983 3.0983 3.2871 3.2871 4.8483 4.8483 4.9290 4.9290 9.3268 9.3268 9.9709 9.9709 10.7030 10.7030 10.7550 10.7550 k = 0.0909 0.0909 0.2945 ( 4158 PWs) bands (ev): -28.0469 -28.0469 -28.0259 -28.0259 -10.9003 -10.9003 -10.8431 -10.8431 -9.9548 -9.9548 -9.7858 -9.7858 -9.6843 -9.6843 -9.6552 -9.6552 -8.7976 -8.7976 -8.7202 -8.7202 1.7324 1.7324 2.0594 2.0594 2.6029 2.6029 2.8554 2.8554 3.1337 3.1337 3.3021 3.3021 4.8568 4.8568 4.9263 4.9263 9.2662 9.2662 9.9105 9.9105 10.7224 10.7224 10.7667 10.7667 k = 0.0818 0.0818 0.2945 ( 4156 PWs) bands (ev): -28.0474 -28.0474 -28.0261 -28.0261 -10.8966 -10.8966 -10.8417 -10.8417 -9.9473 -9.9473 -9.7851 -9.7851 -9.6793 -9.6793 -9.6523 -9.6523 -8.8050 -8.8050 -8.7330 -8.7330 1.7453 1.7453 2.0523 2.0523 2.6173 2.6173 2.8341 2.8341 3.1670 3.1670 3.3169 3.3169 4.8647 4.8647 4.9231 4.9231 9.2109 9.2109 9.8547 9.8547 10.7426 10.7426 10.7822 10.7822 k = 0.0727 0.0727 0.2945 ( 4152 PWs) bands (ev): -28.0478 -28.0478 -28.0262 -28.0262 -10.8930 -10.8930 -10.8407 -10.8407 -9.9398 -9.9398 -9.7851 -9.7851 -9.6768 -9.6768 -9.6471 -9.6471 -8.8118 -8.8118 -8.7456 -8.7456 1.7588 1.7588 2.0453 2.0453 2.6299 2.6299 2.8136 2.8136 3.1976 3.1976 3.3315 3.3315 4.8720 4.8720 4.9197 4.9197 9.1609 9.1609 9.8037 9.8037 10.7636 10.7636 10.8006 10.8006 k = 0.0636 0.0636 0.2945 ( 4144 PWs) bands (ev): -28.0482 -28.0482 -28.0263 -28.0263 -10.8896 -10.8896 -10.8400 -10.8400 -9.9325 -9.9325 -9.7855 -9.7855 -9.6762 -9.6762 -9.6404 -9.6404 -8.8176 -8.8176 -8.7577 -8.7577 1.7723 1.7723 2.0388 2.0388 2.6404 2.6404 2.7946 2.7946 3.2250 3.2250 3.3458 3.3458 4.8786 4.8786 4.9162 4.9162 9.1164 9.1164 9.7578 9.7578 10.7849 10.7849 10.8210 10.8210 k = 0.0545 0.0545 0.2945 ( 4148 PWs) bands (ev): -28.0485 -28.0485 -28.0264 -28.0264 -10.8864 -10.8864 -10.8395 -10.8395 -9.9255 -9.9255 -9.7863 -9.7863 -9.6767 -9.6767 -9.6333 -9.6333 -8.8226 -8.8226 -8.7691 -8.7691 1.7856 1.7856 2.0328 2.0328 2.6484 2.6484 2.7778 2.7778 3.2485 3.2485 3.3597 3.3597 4.8843 4.8843 4.9127 4.9127 9.0776 9.0776 9.7174 9.7174 10.8061 10.8061 10.8422 10.8422 k = 0.0455 0.0455 0.2945 ( 4152 PWs) bands (ev): -28.0488 -28.0488 -28.0265 -28.0265 -10.8835 -10.8835 -10.8393 -10.8393 -9.9190 -9.9190 -9.7874 -9.7874 -9.6775 -9.6775 -9.6265 -9.6265 -8.8265 -8.8265 -8.7796 -8.7796 1.7980 1.7980 2.0275 2.0275 2.6537 2.6537 2.7640 2.7640 3.2681 3.2681 3.3728 3.3728 4.8893 4.8893 4.9095 4.9095 9.0445 9.0445 9.6828 9.6828 10.8266 10.8266 10.8631 10.8631 k = 0.0364 0.0364 0.2945 ( 4156 PWs) bands (ev): -28.0490 -28.0490 -28.0265 -28.0265 -10.8810 -10.8810 -10.8392 -10.8392 -9.9132 -9.9132 -9.7887 -9.7887 -9.6785 -9.6785 -9.6205 -9.6205 -8.8293 -8.8293 -8.7889 -8.7889 1.8091 1.8091 2.0230 2.0230 2.6562 2.6562 2.7537 2.7537 3.2837 3.2837 3.3847 3.3847 4.8934 4.8934 4.9066 4.9066 9.0173 9.0173 9.6540 9.6540 10.8454 10.8454 10.8826 10.8826 k = 0.0273 0.0273 0.2945 ( 4160 PWs) bands (ev): -28.0492 -28.0492 -28.0266 -28.0266 -10.8789 -10.8789 -10.8393 -10.8393 -9.9083 -9.9083 -9.7899 -9.7899 -9.6794 -9.6794 -9.6156 -9.6156 -8.8311 -8.8311 -8.7969 -8.7969 1.8183 1.8183 2.0194 2.0194 2.6563 2.6563 2.7469 2.7469 3.2954 3.2954 3.3948 3.3948 4.8967 4.8967 4.9042 4.9042 8.9960 8.9960 9.6314 9.6314 10.8617 10.8617 10.8993 10.8993 k = 0.0182 0.0182 0.2945 ( 4156 PWs) bands (ev): -28.0493 -28.0493 -28.0266 -28.0266 -10.8773 -10.8773 -10.8394 -10.8394 -9.9046 -9.9046 -9.7910 -9.7910 -9.6801 -9.6801 -9.6119 -9.6119 -8.8320 -8.8320 -8.8031 -8.8031 1.8253 1.8253 2.0168 2.0168 2.6550 2.6550 2.7431 2.7431 3.3036 3.3036 3.4025 3.4025 4.8990 4.8990 4.9025 4.9025 8.9808 8.9808 9.6152 9.6152 10.8742 10.8742 10.9122 10.9122 k = 0.0091 0.0091 0.2945 ( 4152 PWs) bands (ev): -28.0494 -28.0494 -28.0266 -28.0266 -10.8763 -10.8763 -10.8395 -10.8395 -9.9023 -9.9023 -9.7917 -9.7917 -9.6805 -9.6805 -9.6097 -9.6097 -8.8323 -8.8323 -8.8071 -8.8071 1.8297 1.8297 2.0151 2.0151 2.6536 2.6536 2.7413 2.7413 3.3083 3.3083 3.4073 3.4073 4.9004 4.9004 4.9014 4.9014 8.9717 8.9717 9.6054 9.6054 10.8821 10.8821 10.9204 10.9204 k = 0.0000 0.0000 0.2945 ( 4148 PWs) bands (ev): -28.0494 -28.0494 -28.0266 -28.0266 -10.8760 -10.8760 -10.8395 -10.8395 -9.9015 -9.9015 -9.7920 -9.7920 -9.6806 -9.6806 -9.6089 -9.6089 -8.8323 -8.8323 -8.8086 -8.8086 1.8312 1.8312 2.0146 2.0146 2.6530 2.6530 2.7408 2.7408 3.3099 3.3099 3.4090 3.4090 4.9009 4.9009 4.9010 4.9010 8.9686 8.9686 9.6021 9.6021 10.8848 10.8848 10.9232 10.9232 k = 0.0000 0.5000-0.0000 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9628 -10.9628 -10.9628 -10.9628 -10.0274 -10.0274 -10.0274 -10.0274 -9.6776 -9.6776 -9.6776 -9.6776 -8.5093 -8.5093 -8.5093 -8.5093 1.7633 1.7633 1.7633 1.7633 2.7274 2.7274 2.7274 2.7274 2.8104 2.8104 2.8104 2.8104 4.7920 4.7920 4.7920 4.7920 10.3430 10.3430 10.3430 10.3430 10.9286 10.9286 10.9286 10.9286 k = 0.0000 0.5000 0.0128 ( 4152 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9629 -10.9629 -10.9629 -10.9629 -10.0275 -10.0275 -10.0275 -10.0275 -9.6775 -9.6775 -9.6775 -9.6775 -8.5093 -8.5093 -8.5093 -8.5093 1.7619 1.7619 1.7619 1.7619 2.7286 2.7286 2.7286 2.7286 2.8106 2.8106 2.8106 2.8106 4.7915 4.7915 4.7915 4.7915 10.3451 10.3451 10.3451 10.3451 10.9304 10.9304 10.9304 10.9304 k = 0.0000 0.5000 0.0256 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9632 -10.9632 -10.9632 -10.9632 -10.0276 -10.0276 -10.0276 -10.0276 -9.6770 -9.6770 -9.6770 -9.6770 -8.5092 -8.5092 -8.5092 -8.5092 1.7577 1.7577 1.7577 1.7577 2.7319 2.7319 2.7319 2.7319 2.8114 2.8114 2.8114 2.8114 4.7900 4.7900 4.7900 4.7900 10.3516 10.3516 10.3516 10.3516 10.9357 10.9357 10.9357 10.9357 k = 0.0000 0.5000 0.0384 ( 4158 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9636 -10.9636 -10.9636 -10.9636 -10.0278 -10.0278 -10.0278 -10.0278 -9.6762 -9.6762 -9.6762 -9.6762 -8.5091 -8.5091 -8.5091 -8.5091 1.7509 1.7509 1.7509 1.7509 2.7372 2.7372 2.7372 2.7372 2.8128 2.8128 2.8128 2.8128 4.7876 4.7876 4.7876 4.7876 10.3622 10.3622 10.3622 10.3622 10.9446 10.9446 10.9446 10.9446 k = 0.0000 0.5000 0.0512 ( 4154 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9641 -10.9641 -10.9641 -10.9641 -10.0281 -10.0281 -10.0281 -10.0281 -9.6751 -9.6751 -9.6751 -9.6751 -8.5089 -8.5089 -8.5089 -8.5089 1.7417 1.7417 1.7417 1.7417 2.7439 2.7439 2.7439 2.7439 2.8151 2.8151 2.8151 2.8151 4.7842 4.7842 4.7842 4.7842 10.3764 10.3764 10.3764 10.3764 10.9569 10.9569 10.9569 10.9569 k = 0.0000 0.5000 0.0640 ( 4156 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9648 -10.9648 -10.9648 -10.9648 -10.0285 -10.0285 -10.0285 -10.0285 -9.6738 -9.6738 -9.6738 -9.6738 -8.5086 -8.5086 -8.5086 -8.5086 1.7305 1.7305 1.7305 1.7305 2.7514 2.7514 2.7514 2.7514 2.8186 2.8186 2.8186 2.8186 4.7801 4.7801 4.7801 4.7801 10.3938 10.3938 10.3938 10.3938 10.9726 10.9726 10.9726 10.9726 k = 0.0000 0.5000 0.0768 ( 4152 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9657 -10.9657 -10.9657 -10.9657 -10.0290 -10.0290 -10.0290 -10.0290 -9.6722 -9.6722 -9.6722 -9.6722 -8.5084 -8.5084 -8.5084 -8.5084 1.7175 1.7175 1.7175 1.7175 2.7589 2.7589 2.7589 2.7589 2.8240 2.8240 2.8240 2.8240 4.7751 4.7751 4.7751 4.7751 10.4137 10.4137 10.4137 10.4137 10.9917 10.9917 10.9917 10.9917 k = 0.0000 0.5000 0.0896 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9666 -10.9666 -10.9666 -10.9666 -10.0295 -10.0295 -10.0295 -10.0295 -9.6705 -9.6705 -9.6705 -9.6705 -8.5080 -8.5080 -8.5080 -8.5080 1.7030 1.7030 1.7030 1.7030 2.7655 2.7655 2.7655 2.7655 2.8315 2.8315 2.8315 2.8315 4.7696 4.7696 4.7696 4.7696 10.4355 10.4355 10.4355 10.4355 11.0140 11.0140 11.0140 11.0140 k = 0.0000 0.5000 0.1024 ( 4172 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9677 -10.9677 -10.9677 -10.9677 -10.0300 -10.0300 -10.0300 -10.0300 -9.6685 -9.6685 -9.6685 -9.6685 -8.5077 -8.5077 -8.5077 -8.5077 1.6875 1.6875 1.6875 1.6875 2.7708 2.7708 2.7708 2.7708 2.8414 2.8414 2.8414 2.8414 4.7635 4.7635 4.7635 4.7635 10.4582 10.4582 10.4582 10.4582 11.0394 11.0394 11.0394 11.0394 k = 0.0000 0.5000 0.1152 ( 4174 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9688 -10.9688 -10.9688 -10.9688 -10.0306 -10.0306 -10.0306 -10.0306 -9.6664 -9.6664 -9.6664 -9.6664 -8.5073 -8.5073 -8.5073 -8.5073 1.6714 1.6714 1.6714 1.6714 2.7746 2.7746 2.7746 2.7746 2.8535 2.8535 2.8535 2.8535 4.7570 4.7570 4.7570 4.7570 10.4811 10.4811 10.4811 10.4811 11.0678 11.0678 11.0678 11.0678 k = 0.0000 0.5000 0.1280 ( 4178 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9699 -10.9699 -10.9699 -10.9699 -10.0312 -10.0312 -10.0312 -10.0312 -9.6643 -9.6643 -9.6643 -9.6643 -8.5069 -8.5069 -8.5069 -8.5069 1.6549 1.6549 1.6549 1.6549 2.7772 2.7772 2.7772 2.7772 2.8670 2.8670 2.8670 2.8670 4.7503 4.7503 4.7503 4.7503 10.5034 10.5034 10.5034 10.5034 11.0989 11.0989 11.0989 11.0989 k = 0.0000 0.5000 0.1408 ( 4182 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9711 -10.9711 -10.9711 -10.9711 -10.0318 -10.0318 -10.0318 -10.0318 -9.6620 -9.6620 -9.6620 -9.6620 -8.5064 -8.5064 -8.5064 -8.5064 1.6384 1.6384 1.6384 1.6384 2.7789 2.7789 2.7789 2.7789 2.8815 2.8815 2.8815 2.8815 4.7434 4.7434 4.7434 4.7434 10.5244 10.5244 10.5244 10.5244 11.1325 11.1325 11.1325 11.1325 k = 0.0000 0.5000 0.1537 ( 4182 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9723 -10.9723 -10.9723 -10.9723 -10.0324 -10.0324 -10.0324 -10.0324 -9.6598 -9.6598 -9.6598 -9.6598 -8.5060 -8.5060 -8.5060 -8.5060 1.6222 1.6222 1.6222 1.6222 2.7800 2.7800 2.7800 2.7800 2.8963 2.8963 2.8963 2.8963 4.7366 4.7366 4.7366 4.7366 10.5437 10.5437 10.5437 10.5437 11.1684 11.1684 11.1684 11.1684 k = 0.0000 0.5000 0.1665 ( 4174 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9735 -10.9735 -10.9735 -10.9735 -10.0330 -10.0330 -10.0330 -10.0330 -9.6576 -9.6576 -9.6576 -9.6576 -8.5056 -8.5056 -8.5056 -8.5056 1.6065 1.6065 1.6065 1.6065 2.7807 2.7807 2.7807 2.7807 2.9110 2.9110 2.9110 2.9110 4.7298 4.7298 4.7298 4.7298 10.5610 10.5610 10.5610 10.5610 11.2061 11.2061 11.2061 11.2061 k = 0.0000 0.5000 0.1793 ( 4170 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9747 -10.9747 -10.9747 -10.9747 -10.0336 -10.0336 -10.0336 -10.0336 -9.6555 -9.6555 -9.6555 -9.6555 -8.5052 -8.5052 -8.5052 -8.5052 1.5916 1.5916 1.5916 1.5916 2.7810 2.7810 2.7810 2.7810 2.9252 2.9252 2.9252 2.9252 4.7233 4.7233 4.7233 4.7233 10.5760 10.5760 10.5760 10.5760 11.2453 11.2453 11.2453 11.2453 k = 0.0000 0.5000 0.1921 ( 4174 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9758 -10.9758 -10.9758 -10.9758 -10.0341 -10.0341 -10.0341 -10.0341 -9.6535 -9.6535 -9.6535 -9.6535 -8.5048 -8.5048 -8.5048 -8.5048 1.5777 1.5777 1.5777 1.5777 2.7812 2.7812 2.7812 2.7812 2.9386 2.9386 2.9386 2.9386 4.7172 4.7172 4.7172 4.7172 10.5889 10.5889 10.5889 10.5889 11.2852 11.2852 11.2852 11.2852 k = 0.0000 0.5000 0.2049 ( 4166 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9768 -10.9768 -10.9768 -10.9768 -10.0346 -10.0346 -10.0346 -10.0346 -9.6516 -9.6516 -9.6516 -9.6516 -8.5044 -8.5044 -8.5044 -8.5044 1.5650 1.5650 1.5650 1.5650 2.7812 2.7812 2.7812 2.7812 2.9510 2.9510 2.9510 2.9510 4.7115 4.7115 4.7115 4.7115 10.5997 10.5997 10.5997 10.5997 11.3253 11.3253 11.3253 11.3253 k = 0.0000 0.5000 0.2177 ( 4162 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9777 -10.9777 -10.9777 -10.9777 -10.0350 -10.0350 -10.0350 -10.0350 -9.6499 -9.6499 -9.6499 -9.6499 -8.5041 -8.5041 -8.5041 -8.5041 1.5537 1.5537 1.5537 1.5537 2.7812 2.7812 2.7812 2.7812 2.9620 2.9620 2.9620 2.9620 4.7064 4.7064 4.7064 4.7064 10.6086 10.6086 10.6086 10.6086 11.3647 11.3647 11.3647 11.3647 k = 0.0000 0.5000 0.2305 ( 4162 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9785 -10.9785 -10.9785 -10.9785 -10.0354 -10.0354 -10.0354 -10.0354 -9.6484 -9.6484 -9.6484 -9.6484 -8.5038 -8.5038 -8.5038 -8.5038 1.5439 1.5439 1.5439 1.5439 2.7811 2.7811 2.7811 2.7811 2.9717 2.9717 2.9717 2.9717 4.7020 4.7020 4.7020 4.7020 10.6157 10.6157 10.6157 10.6157 11.4021 11.4021 11.4021 11.4021 k = 0.0000 0.5000 0.2433 ( 4158 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9792 -10.9792 -10.9792 -10.9792 -10.0357 -10.0357 -10.0357 -10.0357 -9.6472 -9.6472 -9.6472 -9.6472 -8.5035 -8.5035 -8.5035 -8.5035 1.5357 1.5357 1.5357 1.5357 2.7810 2.7810 2.7810 2.7810 2.9798 2.9798 2.9798 2.9798 4.6982 4.6982 4.6982 4.6982 10.6213 10.6213 10.6213 10.6213 11.4364 11.4364 11.4364 11.4364 k = 0.0000 0.5000 0.2561 ( 4154 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9797 -10.9797 -10.9797 -10.9797 -10.0360 -10.0360 -10.0360 -10.0360 -9.6462 -9.6462 -9.6462 -9.6462 -8.5033 -8.5033 -8.5033 -8.5033 1.5293 1.5293 1.5293 1.5293 2.7809 2.7809 2.7809 2.7809 2.9862 2.9862 2.9862 2.9862 4.6952 4.6952 4.6952 4.6952 10.6254 10.6254 10.6254 10.6254 11.4657 11.4657 11.4657 11.4657 k = 0.0000 0.5000 0.2689 ( 4160 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9801 -10.9801 -10.9801 -10.9801 -10.0362 -10.0362 -10.0362 -10.0362 -9.6455 -9.6455 -9.6455 -9.6455 -8.5032 -8.5032 -8.5032 -8.5032 1.5246 1.5246 1.5246 1.5246 2.7808 2.7808 2.7808 2.7808 2.9908 2.9908 2.9908 2.9908 4.6931 4.6931 4.6931 4.6931 10.6283 10.6283 10.6283 10.6283 11.4885 11.4885 11.4885 11.4885 k = 0.0000 0.5000 0.2817 ( 4156 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9804 -10.9804 -10.9804 -10.9804 -10.0363 -10.0363 -10.0363 -10.0363 -9.6450 -9.6450 -9.6450 -9.6450 -8.5031 -8.5031 -8.5031 -8.5031 1.5218 1.5218 1.5218 1.5218 2.7808 2.7808 2.7808 2.7808 2.9936 2.9936 2.9936 2.9936 4.6918 4.6918 4.6918 4.6918 10.6299 10.6299 10.6299 10.6299 11.5030 11.5030 11.5030 11.5030 k = 0.0000 0.5000 0.2945 ( 4164 PWs) bands (ev): -28.0279 -28.0279 -28.0279 -28.0279 -10.9805 -10.9805 -10.9805 -10.9805 -10.0363 -10.0363 -10.0363 -10.0363 -9.6449 -9.6449 -9.6449 -9.6449 -8.5030 -8.5030 -8.5030 -8.5030 1.5208 1.5208 1.5208 1.5208 2.7808 2.7808 2.7808 2.7808 2.9945 2.9945 2.9945 2.9945 4.6913 4.6913 4.6913 4.6913 10.6305 10.6305 10.6305 10.6305 11.5080 11.5080 11.5080 11.5080 k = 0.5000 0.5000-0.0000 ( 4120 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9235 -10.9235 -10.9235 -10.9235 -9.8577 -9.8577 -9.8577 -9.8577 -9.7351 -9.7351 -9.7351 -9.7351 -8.8795 -8.8795 -8.8795 -8.8795 1.9032 1.9032 1.9032 1.9032 2.7353 2.7353 2.7353 2.7353 2.9440 2.9440 2.9440 2.9440 4.4400 4.4400 4.4400 4.4400 9.6732 9.6732 9.6732 9.6732 13.1650 13.1650 13.1650 13.1650 k = 0.5000 0.5000 0.0128 ( 4120 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9235 -10.9235 -10.9235 -10.9235 -9.8578 -9.8578 -9.8578 -9.8578 -9.7353 -9.7353 -9.7353 -9.7353 -8.8793 -8.8793 -8.8793 -8.8793 1.9031 1.9031 1.9031 1.9031 2.7346 2.7346 2.7346 2.7346 2.9438 2.9438 2.9438 2.9438 4.4405 4.4405 4.4405 4.4405 9.6771 9.6771 9.6771 9.6771 13.1641 13.1641 13.1641 13.1641 k = 0.5000 0.5000 0.0256 ( 4112 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9235 -10.9235 -10.9235 -10.9235 -9.8578 -9.8578 -9.8578 -9.8578 -9.7357 -9.7357 -9.7357 -9.7357 -8.8786 -8.8786 -8.8786 -8.8786 1.9029 1.9029 1.9029 1.9029 2.7323 2.7323 2.7323 2.7323 2.9433 2.9433 2.9433 2.9433 4.4419 4.4419 4.4419 4.4419 9.6888 9.6888 9.6888 9.6888 13.1486 13.1486 13.1486 13.1486 k = 0.5000 0.5000 0.0384 ( 4128 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9236 -10.9236 -10.9236 -10.9236 -9.8578 -9.8578 -9.8578 -9.8578 -9.7364 -9.7364 -9.7364 -9.7364 -8.8774 -8.8774 -8.8774 -8.8774 1.9025 1.9025 1.9025 1.9025 2.7285 2.7285 2.7285 2.7285 2.9425 2.9425 2.9425 2.9425 4.4442 4.4442 4.4442 4.4442 9.7082 9.7082 9.7082 9.7082 13.0957 13.0957 13.0957 13.0957 k = 0.5000 0.5000 0.0512 ( 4128 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9237 -10.9237 -10.9237 -10.9237 -9.8579 -9.8579 -9.8579 -9.8579 -9.7374 -9.7374 -9.7374 -9.7374 -8.8759 -8.8759 -8.8759 -8.8759 1.9020 1.9020 1.9020 1.9020 2.7233 2.7233 2.7233 2.7233 2.9414 2.9414 2.9414 2.9414 4.4474 4.4474 4.4474 4.4474 9.7351 9.7351 9.7351 9.7351 13.0350 13.0350 13.0350 13.0350 k = 0.5000 0.5000 0.0640 ( 4144 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9238 -10.9238 -10.9238 -10.9238 -9.8580 -9.8580 -9.8580 -9.8580 -9.7386 -9.7386 -9.7386 -9.7386 -8.8740 -8.8740 -8.8740 -8.8740 1.9014 1.9014 1.9014 1.9014 2.7168 2.7168 2.7168 2.7168 2.9401 2.9401 2.9401 2.9401 4.4514 4.4514 4.4514 4.4514 9.7693 9.7693 9.7693 9.7693 12.9719 12.9719 12.9719 12.9719 k = 0.5000 0.5000 0.0768 ( 4144 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9239 -10.9239 -10.9239 -10.9239 -9.8581 -9.8581 -9.8581 -9.8581 -9.7400 -9.7400 -9.7400 -9.7400 -8.8717 -8.8717 -8.8717 -8.8717 1.9007 1.9007 1.9007 1.9007 2.7091 2.7091 2.7091 2.7091 2.9385 2.9385 2.9385 2.9385 4.4562 4.4562 4.4562 4.4562 9.8105 9.8105 9.8105 9.8105 12.9078 12.9078 12.9078 12.9078 k = 0.5000 0.5000 0.0896 ( 4160 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9241 -10.9241 -10.9241 -10.9241 -9.8582 -9.8582 -9.8582 -9.8582 -9.7416 -9.7416 -9.7416 -9.7416 -8.8691 -8.8691 -8.8691 -8.8691 1.8999 1.8999 1.8999 1.8999 2.7004 2.7004 2.7004 2.7004 2.9368 2.9368 2.9368 2.9368 4.4616 4.4616 4.4616 4.4616 9.8582 9.8582 9.8582 9.8582 12.8436 12.8436 12.8436 12.8436 k = 0.5000 0.5000 0.1024 ( 4160 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9243 -10.9243 -10.9243 -10.9243 -9.8583 -9.8583 -9.8583 -9.8583 -9.7434 -9.7434 -9.7434 -9.7434 -8.8663 -8.8663 -8.8663 -8.8663 1.8990 1.8990 1.8990 1.8990 2.6908 2.6908 2.6908 2.6908 2.9349 2.9349 2.9349 2.9349 4.4675 4.4675 4.4675 4.4675 9.9120 9.9120 9.9120 9.9120 12.7800 12.7800 12.7800 12.7800 k = 0.5000 0.5000 0.1152 ( 4152 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9245 -10.9245 -10.9245 -10.9245 -9.8584 -9.8584 -9.8584 -9.8584 -9.7453 -9.7453 -9.7453 -9.7453 -8.8632 -8.8632 -8.8632 -8.8632 1.8980 1.8980 1.8980 1.8980 2.6805 2.6805 2.6805 2.6805 2.9330 2.9330 2.9330 2.9330 4.4739 4.4739 4.4739 4.4739 9.9714 9.9714 9.9714 9.9714 12.7176 12.7176 12.7176 12.7176 k = 0.5000 0.5000 0.1280 ( 4148 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9246 -10.9246 -10.9246 -10.9246 -9.8585 -9.8585 -9.8585 -9.8585 -9.7472 -9.7472 -9.7472 -9.7472 -8.8601 -8.8601 -8.8601 -8.8601 1.8970 1.8970 1.8970 1.8970 2.6698 2.6698 2.6698 2.6698 2.9310 2.9310 2.9310 2.9310 4.4806 4.4806 4.4806 4.4806 10.0357 10.0357 10.0357 10.0357 12.6571 12.6571 12.6571 12.6571 k = 0.5000 0.5000 0.1408 ( 4136 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9248 -10.9248 -10.9248 -10.9248 -9.8587 -9.8587 -9.8587 -9.8587 -9.7492 -9.7492 -9.7492 -9.7492 -8.8568 -8.8568 -8.8568 -8.8568 1.8960 1.8960 1.8960 1.8960 2.6588 2.6588 2.6588 2.6588 2.9290 2.9290 2.9290 2.9290 4.4875 4.4875 4.4875 4.4875 10.1043 10.1043 10.1043 10.1043 12.5990 12.5990 12.5990 12.5990 k = 0.5000 0.5000 0.1537 ( 4144 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9250 -10.9250 -10.9250 -10.9250 -9.8588 -9.8588 -9.8588 -9.8588 -9.7513 -9.7513 -9.7513 -9.7513 -8.8536 -8.8536 -8.8536 -8.8536 1.8950 1.8950 1.8950 1.8950 2.6477 2.6477 2.6477 2.6477 2.9270 2.9270 2.9270 2.9270 4.4945 4.4945 4.4945 4.4945 10.1763 10.1763 10.1763 10.1763 12.5438 12.5438 12.5438 12.5438 k = 0.5000 0.5000 0.1665 ( 4148 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9252 -10.9252 -10.9252 -10.9252 -9.8589 -9.8589 -9.8589 -9.8589 -9.7532 -9.7532 -9.7532 -9.7532 -8.8503 -8.8503 -8.8503 -8.8503 1.8939 1.8939 1.8939 1.8939 2.6367 2.6367 2.6367 2.6367 2.9251 2.9251 2.9251 2.9251 4.5014 4.5014 4.5014 4.5014 10.2509 10.2509 10.2509 10.2509 12.4919 12.4919 12.4919 12.4919 k = 0.5000 0.5000 0.1793 ( 4148 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9254 -10.9254 -10.9254 -10.9254 -9.8590 -9.8590 -9.8590 -9.8590 -9.7551 -9.7551 -9.7551 -9.7551 -8.8472 -8.8472 -8.8472 -8.8472 1.8929 1.8929 1.8929 1.8929 2.6261 2.6261 2.6261 2.6261 2.9232 2.9232 2.9232 2.9232 4.5081 4.5081 4.5081 4.5081 10.3268 10.3268 10.3268 10.3268 12.4438 12.4438 12.4438 12.4438 k = 0.5000 0.5000 0.1921 ( 4148 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9256 -10.9256 -10.9256 -10.9256 -9.8592 -9.8592 -9.8592 -9.8592 -9.7570 -9.7570 -9.7570 -9.7570 -8.8443 -8.8443 -8.8443 -8.8443 1.8920 1.8920 1.8920 1.8920 2.6161 2.6161 2.6161 2.6161 2.9215 2.9215 2.9215 2.9215 4.5145 4.5145 4.5145 4.5145 10.4029 10.4029 10.4029 10.4029 12.3998 12.3998 12.3998 12.3998 k = 0.5000 0.5000 0.2049 ( 4164 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9258 -10.9258 -10.9258 -10.9258 -9.8593 -9.8593 -9.8593 -9.8593 -9.7586 -9.7586 -9.7586 -9.7586 -8.8415 -8.8415 -8.8415 -8.8415 1.8911 1.8911 1.8911 1.8911 2.6067 2.6067 2.6067 2.6067 2.9200 2.9200 2.9200 2.9200 4.5204 4.5204 4.5204 4.5204 10.4777 10.4777 10.4777 10.4777 12.3603 12.3603 12.3603 12.3603 k = 0.5000 0.5000 0.2177 ( 4188 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9259 -10.9259 -10.9259 -10.9259 -9.8594 -9.8594 -9.8594 -9.8594 -9.7602 -9.7602 -9.7602 -9.7602 -8.8391 -8.8391 -8.8391 -8.8391 1.8902 1.8902 1.8902 1.8902 2.5983 2.5983 2.5983 2.5983 2.9185 2.9185 2.9185 2.9185 4.5258 4.5258 4.5258 4.5258 10.5495 10.5495 10.5495 10.5495 12.3255 12.3255 12.3255 12.3255 k = 0.5000 0.5000 0.2305 ( 4172 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9261 -10.9261 -10.9261 -10.9261 -9.8594 -9.8594 -9.8594 -9.8594 -9.7615 -9.7615 -9.7615 -9.7615 -8.8369 -8.8369 -8.8369 -8.8369 1.8895 1.8895 1.8895 1.8895 2.5909 2.5909 2.5909 2.5909 2.9173 2.9173 2.9173 2.9173 4.5306 4.5306 4.5306 4.5306 10.6163 10.6163 10.6163 10.6163 12.2956 12.2956 12.2956 12.2956 k = 0.5000 0.5000 0.2433 ( 4172 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9262 -10.9262 -10.9262 -10.9262 -9.8595 -9.8595 -9.8595 -9.8595 -9.7626 -9.7626 -9.7626 -9.7626 -8.8350 -8.8350 -8.8350 -8.8350 1.8889 1.8889 1.8889 1.8889 2.5846 2.5846 2.5846 2.5846 2.9163 2.9163 2.9163 2.9163 4.5346 4.5346 4.5346 4.5346 10.6759 10.6759 10.6759 10.6759 12.2709 12.2709 12.2709 12.2709 k = 0.5000 0.5000 0.2561 ( 4172 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9263 -10.9263 -10.9263 -10.9263 -9.8596 -9.8596 -9.8596 -9.8596 -9.7635 -9.7635 -9.7635 -9.7635 -8.8336 -8.8336 -8.8336 -8.8336 1.8884 1.8884 1.8884 1.8884 2.5796 2.5796 2.5796 2.5796 2.9155 2.9155 2.9155 2.9155 4.5378 4.5378 4.5378 4.5378 10.7259 10.7259 10.7259 10.7259 12.2515 12.2515 12.2515 12.2515 k = 0.5000 0.5000 0.2689 ( 4176 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9264 -10.9264 -10.9264 -10.9264 -9.8596 -9.8596 -9.8596 -9.8596 -9.7641 -9.7641 -9.7641 -9.7641 -8.8325 -8.8325 -8.8325 -8.8325 1.8881 1.8881 1.8881 1.8881 2.5760 2.5760 2.5760 2.5760 2.9149 2.9149 2.9149 2.9149 4.5401 4.5401 4.5401 4.5401 10.7639 10.7639 10.7639 10.7639 12.2376 12.2376 12.2376 12.2376 k = 0.5000 0.5000 0.2817 ( 4184 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9264 -10.9264 -10.9264 -10.9264 -9.8596 -9.8596 -9.8596 -9.8596 -9.7645 -9.7645 -9.7645 -9.7645 -8.8319 -8.8319 -8.8319 -8.8319 1.8879 1.8879 1.8879 1.8879 2.5738 2.5738 2.5738 2.5738 2.9146 2.9146 2.9146 2.9146 4.5416 4.5416 4.5416 4.5416 10.7877 10.7877 10.7877 10.7877 12.2292 12.2292 12.2292 12.2292 k = 0.5000 0.5000 0.2945 ( 4176 PWs) bands (ev): -28.0184 -28.0184 -28.0184 -28.0184 -10.9264 -10.9264 -10.9264 -10.9264 -9.8596 -9.8596 -9.8596 -9.8596 -9.7647 -9.7647 -9.7647 -9.7647 -8.8316 -8.8316 -8.8316 -8.8316 1.8878 1.8878 1.8878 1.8878 2.5731 2.5731 2.5731 2.5731 2.9144 2.9144 2.9144 2.9144 4.5420 4.5420 4.5420 4.5420 10.7958 10.7958 10.7958 10.7958 12.2264 12.2264 12.2264 12.2264 Writing output data file SrHCl.save init_run : 0.26s CPU 0.50s WALL ( 1 calls) electrons : 141.01s CPU 144.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 141.00s CPU 144.34s 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 : 0.06s CPU 0.07s WALL ( 344 calls) cegterg : 131.07s CPU 132.89s WALL ( 608 calls) Called by sum_band: Called by *egterg: h_psi : 65.86s CPU 67.16s WALL ( 9134 calls) s_psi : 5.22s CPU 5.05s WALL ( 9134 calls) g_psi : 0.24s CPU 0.24s WALL ( 8182 calls) cdiaghg : 52.45s CPU 53.24s WALL ( 8526 calls) cegterg:over : 5.09s CPU 5.13s WALL ( 8182 calls) cegterg:upda : 4.99s CPU 5.00s WALL ( 8182 calls) cegterg:last : 2.21s CPU 2.23s WALL ( 1340 calls) cdiaghg:chol : 2.92s CPU 2.98s WALL ( 8526 calls) cdiaghg:inve : 1.86s CPU 1.81s WALL ( 8526 calls) cdiaghg:para : 3.01s CPU 3.08s WALL ( 17052 calls) Called by h_psi: h_psi:vloc : 54.67s CPU 55.51s WALL ( 9134 calls) h_psi:vnl : 10.97s CPU 11.43s WALL ( 9134 calls) add_vuspsi : 5.50s CPU 5.93s WALL ( 9134 calls) General routines calbec : 5.44s CPU 5.48s WALL ( 9134 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.51s CPU 52.43s WALL ( 752472 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.31s WALL ( 688 calls) Parallel routines fft_scatter : 20.84s CPU 21.17s WALL ( 752495 calls) PWSCF : 2m35.79s CPU 2m52.99s WALL This run was terminated on: 17: 6:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=