Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:34:24 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: ./BaTi2As2O.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 41 11 2191 2147 325 Max 42 42 12 2204 2167 334 Sum 1489 1481 421 79039 77719 11885 bravais-lattice index = 14 lattice parameter (alat) = 7.6477 a.u. unit-cell volume = 804.0738 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.647721 celldm(2)= 1.000000 celldm(3)= 1.797628 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 1.797628 ) 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 0.556289 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 4 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Ti 12.00 47.86700 Ti( 1.00) O 6.00 15.99940 O( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0126429), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0252859), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0379288), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0505717), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0632146), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.0758575), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.0885005), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1011434), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1137863), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1264292), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1390722), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1517151), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1643580), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.1770009), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.1896439), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2022868), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2149297), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2275726), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2402156), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2528585), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2655014), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2781443), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.2781443), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.2781443), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.2781443), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.2781443), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.2781443), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.2781443), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.2781443), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.2781443), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.2781443), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.2781443), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.2781443), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.2781443), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.2781443), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.2781443), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.2781443), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.2781443), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.2781443), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.2781443), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.2781443), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.2781443), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.2781443), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.2781443), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.2781443), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.2781443), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.2781443), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.2781443), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.2781443), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.2781443), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.2781443), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.2781443), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.2781443), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.2781443), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.2781443), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.2781443), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.2781443), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.2781443), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.2781443), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.2781443), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.2781443), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.2781443), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.2781443), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.2781443), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.2781443), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.2781443), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.2781443), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.2781443), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.2781443), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.2781443), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.2781443), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.2781443), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.2781443), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.2781443), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.2781443), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.2781443), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.2781443), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.2781443), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.2781443), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.2781443), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.2781443), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.2781443), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.2781443), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.2781443), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.2781443), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.2781443), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.2781443), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.2781443), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.2781443), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.2781443), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.2781443), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.2781443), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.2781443), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.2781443), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.2781443), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.2781443), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.2781443), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.2781443), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.2781443), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.2781443), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.2781443), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.2781443), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.2781443), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.2781443), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.2781443), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.2781443), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.2781443), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545454 0.2781443), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454545 0.2781443), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.2781443), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.2781443), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.2781443), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.2781443), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.2781443), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.2781443), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.2781443), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.2781443), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.2781443), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.2781443), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454545 0.2781443), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.2781443), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.2781443), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.2781443), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.2781443), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.2781443), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.2781443), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.2781443), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.2781443), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.2781443), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.2781443), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.2781443), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.2781443), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.2781443), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.2781443), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.2781443), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.2781443), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.2781443), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.2781443), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.2781443), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.2781443), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545454 0.2781443), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.2781443), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.2781443), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.2781443), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.2781443), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.2781443), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.2781443), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.2781443), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.2781443), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.2781443), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.2781443), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545454 0.2781443), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454545 0.2781443), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.2781443), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.2781443), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.2781443), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.2781443), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.2781443), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0126429), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0252859), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0379288), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0505717), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.0632146), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.0758575), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.0885005), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1011434), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.1137863), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.1264292), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.1390722), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.1517151), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.1643580), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.1770009), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.1896439), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.2022868), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.2149297), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.2275726), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.2402156), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.2528585), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.2655014), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.2781443), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0126429), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0252859), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0379288), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0505717), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.0632146), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.0758575), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.0885005), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1011434), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.1137863), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.1264292), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.1390722), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.1517151), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.1643580), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.1770009), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.1896439), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.2022868), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.2149297), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.2275726), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.2402156), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.2528585), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.2655014), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.2781443), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 Dense grid: 79039 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 77719 G-vectors FFT dimensions: ( 45, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 550, 60) NL pseudopotentials 0.61 Mb ( 275, 145) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2193) G-vector shells 0.01 Mb ( 990) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.01 Mb ( 550, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 145, 2, 60) The potential is recalculated from file : ./BaTi2As2O.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 26 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.2 secs Computing kpt #: 6 total cpu time spent up to now is 10.7 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.6 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.6 secs Computing kpt #: 11 total cpu time spent up to now is 18.0 secs Computing kpt #: 12 total cpu time spent up to now is 19.5 secs Computing kpt #: 13 total cpu time spent up to now is 20.9 secs Computing kpt #: 14 total cpu time spent up to now is 22.2 secs Computing kpt #: 15 total cpu time spent up to now is 23.7 secs Computing kpt #: 16 total cpu time spent up to now is 25.1 secs Computing kpt #: 17 total cpu time spent up to now is 26.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.9 secs Computing kpt #: 19 total cpu time spent up to now is 29.4 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.2 secs Computing kpt #: 22 total cpu time spent up to now is 33.7 secs Computing kpt #: 23 total cpu time spent up to now is 35.1 secs Computing kpt #: 24 total cpu time spent up to now is 36.6 secs Computing kpt #: 25 total cpu time spent up to now is 38.1 secs Computing kpt #: 26 total cpu time spent up to now is 39.6 secs Computing kpt #: 27 total cpu time spent up to now is 41.3 secs Computing kpt #: 28 total cpu time spent up to now is 42.9 secs Computing kpt #: 29 total cpu time spent up to now is 44.5 secs Computing kpt #: 30 total cpu time spent up to now is 46.3 secs Computing kpt #: 31 total cpu time spent up to now is 48.1 secs Computing kpt #: 32 total cpu time spent up to now is 50.1 secs Computing kpt #: 33 total cpu time spent up to now is 52.1 secs Computing kpt #: 34 total cpu time spent up to now is 53.8 secs Computing kpt #: 35 total cpu time spent up to now is 55.5 secs Computing kpt #: 36 total cpu time spent up to now is 57.0 secs Computing kpt #: 37 total cpu time spent up to now is 58.6 secs Computing kpt #: 38 total cpu time spent up to now is 60.2 secs Computing kpt #: 39 total cpu time spent up to now is 61.7 secs Computing kpt #: 40 total cpu time spent up to now is 63.2 secs Computing kpt #: 41 total cpu time spent up to now is 64.7 secs Computing kpt #: 42 total cpu time spent up to now is 66.2 secs Computing kpt #: 43 total cpu time spent up to now is 67.8 secs Computing kpt #: 44 total cpu time spent up to now is 69.4 secs Computing kpt #: 45 total cpu time spent up to now is 70.9 secs Computing kpt #: 46 total cpu time spent up to now is 72.4 secs Computing kpt #: 47 total cpu time spent up to now is 74.0 secs Computing kpt #: 48 total cpu time spent up to now is 75.6 secs Computing kpt #: 49 total cpu time spent up to now is 77.3 secs Computing kpt #: 50 total cpu time spent up to now is 79.2 secs Computing kpt #: 51 total cpu time spent up to now is 81.0 secs Computing kpt #: 52 total cpu time spent up to now is 82.6 secs Computing kpt #: 53 total cpu time spent up to now is 84.3 secs Computing kpt #: 54 total cpu time spent up to now is 85.8 secs Computing kpt #: 55 total cpu time spent up to now is 87.4 secs Computing kpt #: 56 total cpu time spent up to now is 89.0 secs Computing kpt #: 57 total cpu time spent up to now is 90.8 secs Computing kpt #: 58 total cpu time spent up to now is 92.4 secs Computing kpt #: 59 total cpu time spent up to now is 94.0 secs Computing kpt #: 60 total cpu time spent up to now is 95.6 secs Computing kpt #: 61 total cpu time spent up to now is 97.1 secs Computing kpt #: 62 total cpu time spent up to now is 98.7 secs Computing kpt #: 63 total cpu time spent up to now is 100.2 secs Computing kpt #: 64 total cpu time spent up to now is 101.8 secs Computing kpt #: 65 total cpu time spent up to now is 103.3 secs Computing kpt #: 66 total cpu time spent up to now is 104.9 secs Computing kpt #: 67 total cpu time spent up to now is 106.4 secs Computing kpt #: 68 total cpu time spent up to now is 107.9 secs Computing kpt #: 69 total cpu time spent up to now is 109.4 secs Computing kpt #: 70 total cpu time spent up to now is 111.0 secs Computing kpt #: 71 total cpu time spent up to now is 112.5 secs Computing kpt #: 72 total cpu time spent up to now is 114.0 secs Computing kpt #: 73 total cpu time spent up to now is 115.5 secs Computing kpt #: 74 total cpu time spent up to now is 117.0 secs Computing kpt #: 75 total cpu time spent up to now is 118.5 secs Computing kpt #: 76 total cpu time spent up to now is 120.0 secs Computing kpt #: 77 total cpu time spent up to now is 121.5 secs Computing kpt #: 78 total cpu time spent up to now is 123.0 secs Computing kpt #: 79 total cpu time spent up to now is 124.5 secs Computing kpt #: 80 total cpu time spent up to now is 126.0 secs Computing kpt #: 81 total cpu time spent up to now is 127.5 secs Computing kpt #: 82 total cpu time spent up to now is 129.0 secs Computing kpt #: 83 total cpu time spent up to now is 130.4 secs Computing kpt #: 84 total cpu time spent up to now is 131.9 secs Computing kpt #: 85 total cpu time spent up to now is 133.4 secs Computing kpt #: 86 total cpu time spent up to now is 135.0 secs Computing kpt #: 87 total cpu time spent up to now is 136.5 secs Computing kpt #: 88 total cpu time spent up to now is 138.0 secs Computing kpt #: 89 total cpu time spent up to now is 139.5 secs Computing kpt #: 90 total cpu time spent up to now is 141.0 secs Computing kpt #: 91 total cpu time spent up to now is 142.5 secs Computing kpt #: 92 total cpu time spent up to now is 144.0 secs Computing kpt #: 93 total cpu time spent up to now is 145.4 secs Computing kpt #: 94 total cpu time spent up to now is 146.9 secs Computing kpt #: 95 total cpu time spent up to now is 148.4 secs Computing kpt #: 96 total cpu time spent up to now is 149.9 secs Computing kpt #: 97 total cpu time spent up to now is 151.3 secs Computing kpt #: 98 total cpu time spent up to now is 152.8 secs Computing kpt #: 99 total cpu time spent up to now is 154.2 secs Computing kpt #: 100 total cpu time spent up to now is 155.7 secs Computing kpt #: 101 total cpu time spent up to now is 157.2 secs Computing kpt #: 102 total cpu time spent up to now is 158.6 secs Computing kpt #: 103 total cpu time spent up to now is 160.1 secs Computing kpt #: 104 total cpu time spent up to now is 161.5 secs Computing kpt #: 105 total cpu time spent up to now is 163.0 secs Computing kpt #: 106 total cpu time spent up to now is 164.4 secs Computing kpt #: 107 total cpu time spent up to now is 165.7 secs Computing kpt #: 108 total cpu time spent up to now is 167.2 secs Computing kpt #: 109 total cpu time spent up to now is 168.7 secs Computing kpt #: 110 total cpu time spent up to now is 170.2 secs Computing kpt #: 111 total cpu time spent up to now is 171.6 secs Computing kpt #: 112 total cpu time spent up to now is 173.1 secs Computing kpt #: 113 total cpu time spent up to now is 174.6 secs Computing kpt #: 114 total cpu time spent up to now is 176.0 secs Computing kpt #: 115 total cpu time spent up to now is 177.6 secs Computing kpt #: 116 total cpu time spent up to now is 179.0 secs Computing kpt #: 117 total cpu time spent up to now is 180.7 secs Computing kpt #: 118 total cpu time spent up to now is 182.3 secs Computing kpt #: 119 total cpu time spent up to now is 183.9 secs Computing kpt #: 120 total cpu time spent up to now is 185.6 secs Computing kpt #: 121 total cpu time spent up to now is 187.3 secs Computing kpt #: 122 total cpu time spent up to now is 189.0 secs Computing kpt #: 123 total cpu time spent up to now is 190.7 secs Computing kpt #: 124 total cpu time spent up to now is 192.3 secs Computing kpt #: 125 total cpu time spent up to now is 193.8 secs Computing kpt #: 126 total cpu time spent up to now is 195.4 secs Computing kpt #: 127 total cpu time spent up to now is 197.0 secs Computing kpt #: 128 total cpu time spent up to now is 198.5 secs Computing kpt #: 129 total cpu time spent up to now is 200.0 secs Computing kpt #: 130 total cpu time spent up to now is 201.5 secs Computing kpt #: 131 total cpu time spent up to now is 203.0 secs Computing kpt #: 132 total cpu time spent up to now is 204.4 secs Computing kpt #: 133 total cpu time spent up to now is 205.9 secs Computing kpt #: 134 total cpu time spent up to now is 207.3 secs Computing kpt #: 135 total cpu time spent up to now is 208.8 secs Computing kpt #: 136 total cpu time spent up to now is 210.3 secs Computing kpt #: 137 total cpu time spent up to now is 211.8 secs Computing kpt #: 138 total cpu time spent up to now is 213.3 secs Computing kpt #: 139 total cpu time spent up to now is 214.8 secs Computing kpt #: 140 total cpu time spent up to now is 216.3 secs Computing kpt #: 141 total cpu time spent up to now is 219.9 secs Computing kpt #: 142 total cpu time spent up to now is 221.4 secs Computing kpt #: 143 total cpu time spent up to now is 222.9 secs Computing kpt #: 144 total cpu time spent up to now is 224.4 secs Computing kpt #: 145 total cpu time spent up to now is 225.9 secs Computing kpt #: 146 total cpu time spent up to now is 227.3 secs Computing kpt #: 147 total cpu time spent up to now is 228.7 secs Computing kpt #: 148 total cpu time spent up to now is 230.1 secs Computing kpt #: 149 total cpu time spent up to now is 231.5 secs Computing kpt #: 150 total cpu time spent up to now is 232.9 secs Computing kpt #: 151 total cpu time spent up to now is 234.3 secs Computing kpt #: 152 total cpu time spent up to now is 235.6 secs Computing kpt #: 153 total cpu time spent up to now is 237.0 secs Computing kpt #: 154 total cpu time spent up to now is 238.3 secs Computing kpt #: 155 total cpu time spent up to now is 239.6 secs Computing kpt #: 156 total cpu time spent up to now is 240.9 secs Computing kpt #: 157 total cpu time spent up to now is 242.2 secs Computing kpt #: 158 total cpu time spent up to now is 243.5 secs Computing kpt #: 159 total cpu time spent up to now is 244.9 secs Computing kpt #: 160 total cpu time spent up to now is 246.1 secs Computing kpt #: 161 total cpu time spent up to now is 247.5 secs Computing kpt #: 162 total cpu time spent up to now is 248.7 secs Computing kpt #: 163 total cpu time spent up to now is 250.0 secs Computing kpt #: 164 total cpu time spent up to now is 251.3 secs Computing kpt #: 165 total cpu time spent up to now is 252.7 secs Computing kpt #: 166 total cpu time spent up to now is 254.0 secs Computing kpt #: 167 total cpu time spent up to now is 255.4 secs Computing kpt #: 168 total cpu time spent up to now is 256.8 secs Computing kpt #: 169 total cpu time spent up to now is 258.2 secs Computing kpt #: 170 total cpu time spent up to now is 259.6 secs Computing kpt #: 171 total cpu time spent up to now is 261.0 secs Computing kpt #: 172 total cpu time spent up to now is 262.3 secs Computing kpt #: 173 total cpu time spent up to now is 263.7 secs Computing kpt #: 174 total cpu time spent up to now is 265.1 secs Computing kpt #: 175 total cpu time spent up to now is 266.5 secs Computing kpt #: 176 total cpu time spent up to now is 267.9 secs Computing kpt #: 177 total cpu time spent up to now is 269.3 secs Computing kpt #: 178 total cpu time spent up to now is 270.8 secs Computing kpt #: 179 total cpu time spent up to now is 272.2 secs Computing kpt #: 180 total cpu time spent up to now is 273.7 secs Computing kpt #: 181 total cpu time spent up to now is 275.1 secs Computing kpt #: 182 total cpu time spent up to now is 276.7 secs Computing kpt #: 183 total cpu time spent up to now is 278.3 secs Computing kpt #: 184 total cpu time spent up to now is 279.8 secs Computing kpt #: 185 total cpu time spent up to now is 281.5 secs Computing kpt #: 186 total cpu time spent up to now is 283.2 secs Computing kpt #: 187 total cpu time spent up to now is 285.6 secs Computing kpt #: 188 total cpu time spent up to now is 287.7 secs Computing kpt #: 189 total cpu time spent up to now is 289.4 secs Computing kpt #: 190 total cpu time spent up to now is 291.1 secs Computing kpt #: 191 total cpu time spent up to now is 292.7 secs Computing kpt #: 192 total cpu time spent up to now is 294.2 secs Computing kpt #: 193 total cpu time spent up to now is 295.7 secs Computing kpt #: 194 total cpu time spent up to now is 297.3 secs Computing kpt #: 195 total cpu time spent up to now is 298.8 secs Computing kpt #: 196 total cpu time spent up to now is 300.5 secs Computing kpt #: 197 total cpu time spent up to now is 302.2 secs Computing kpt #: 198 total cpu time spent up to now is 303.8 secs Computing kpt #: 199 total cpu time spent up to now is 305.3 secs Computing kpt #: 200 total cpu time spent up to now is 306.9 secs Computing kpt #: 201 total cpu time spent up to now is 308.4 secs Computing kpt #: 202 total cpu time spent up to now is 310.0 secs Computing kpt #: 203 total cpu time spent up to now is 311.5 secs Computing kpt #: 204 total cpu time spent up to now is 313.2 secs Computing kpt #: 205 total cpu time spent up to now is 314.8 secs Computing kpt #: 206 total cpu time spent up to now is 316.4 secs Computing kpt #: 207 total cpu time spent up to now is 318.1 secs Computing kpt #: 208 total cpu time spent up to now is 319.7 secs Computing kpt #: 209 total cpu time spent up to now is 321.3 secs Computing kpt #: 210 total cpu time spent up to now is 322.9 secs Computing kpt #: 211 total cpu time spent up to now is 324.5 secs Computing kpt #: 212 total cpu time spent up to now is 326.1 secs Computing kpt #: 213 total cpu time spent up to now is 327.7 secs Computing kpt #: 214 total cpu time spent up to now is 329.2 secs Computing kpt #: 215 total cpu time spent up to now is 330.8 secs Computing kpt #: 216 total cpu time spent up to now is 332.3 secs Computing kpt #: 217 total cpu time spent up to now is 333.9 secs Computing kpt #: 218 total cpu time spent up to now is 335.4 secs Computing kpt #: 219 total cpu time spent up to now is 337.0 secs Computing kpt #: 220 total cpu time spent up to now is 338.6 secs Computing kpt #: 221 total cpu time spent up to now is 340.3 secs Computing kpt #: 222 total cpu time spent up to now is 341.9 secs Computing kpt #: 223 total cpu time spent up to now is 343.6 secs Computing kpt #: 224 total cpu time spent up to now is 345.1 secs Computing kpt #: 225 total cpu time spent up to now is 346.7 secs Computing kpt #: 226 total cpu time spent up to now is 348.4 secs Computing kpt #: 227 total cpu time spent up to now is 350.0 secs Computing kpt #: 228 total cpu time spent up to now is 351.7 secs Computing kpt #: 229 total cpu time spent up to now is 353.3 secs Computing kpt #: 230 total cpu time spent up to now is 355.0 secs Computing kpt #: 231 total cpu time spent up to now is 356.8 secs Computing kpt #: 232 total cpu time spent up to now is 358.9 secs Computing kpt #: 233 total cpu time spent up to now is 360.4 secs Computing kpt #: 234 total cpu time spent up to now is 362.0 secs Computing kpt #: 235 total cpu time spent up to now is 363.5 secs Computing kpt #: 236 total cpu time spent up to now is 365.1 secs Computing kpt #: 237 total cpu time spent up to now is 366.7 secs Computing kpt #: 238 total cpu time spent up to now is 368.2 secs Computing kpt #: 239 total cpu time spent up to now is 369.8 secs Computing kpt #: 240 total cpu time spent up to now is 371.4 secs Computing kpt #: 241 total cpu time spent up to now is 372.9 secs Computing kpt #: 242 total cpu time spent up to now is 374.5 secs Computing kpt #: 243 total cpu time spent up to now is 376.0 secs Computing kpt #: 244 total cpu time spent up to now is 377.6 secs Computing kpt #: 245 total cpu time spent up to now is 379.1 secs Computing kpt #: 246 total cpu time spent up to now is 380.6 secs Computing kpt #: 247 total cpu time spent up to now is 382.2 secs Computing kpt #: 248 total cpu time spent up to now is 383.7 secs Computing kpt #: 249 total cpu time spent up to now is 385.3 secs Computing kpt #: 250 total cpu time spent up to now is 386.8 secs Computing kpt #: 251 total cpu time spent up to now is 388.3 secs Computing kpt #: 252 total cpu time spent up to now is 389.8 secs Computing kpt #: 253 total cpu time spent up to now is 391.4 secs Computing kpt #: 254 total cpu time spent up to now is 392.9 secs Computing kpt #: 255 total cpu time spent up to now is 394.4 secs Computing kpt #: 256 total cpu time spent up to now is 395.9 secs Computing kpt #: 257 total cpu time spent up to now is 397.3 secs Computing kpt #: 258 total cpu time spent up to now is 398.8 secs Computing kpt #: 259 total cpu time spent up to now is 400.3 secs Computing kpt #: 260 total cpu time spent up to now is 401.8 secs Computing kpt #: 261 total cpu time spent up to now is 403.3 secs Computing kpt #: 262 total cpu time spent up to now is 404.7 secs Computing kpt #: 263 total cpu time spent up to now is 406.2 secs Computing kpt #: 264 total cpu time spent up to now is 407.7 secs Computing kpt #: 265 total cpu time spent up to now is 409.1 secs Computing kpt #: 266 total cpu time spent up to now is 410.6 secs Computing kpt #: 267 total cpu time spent up to now is 412.1 secs Computing kpt #: 268 total cpu time spent up to now is 413.6 secs Computing kpt #: 269 total cpu time spent up to now is 415.1 secs Computing kpt #: 270 total cpu time spent up to now is 416.6 secs Computing kpt #: 271 total cpu time spent up to now is 418.1 secs Computing kpt #: 272 total cpu time spent up to now is 419.7 secs Computing kpt #: 273 total cpu time spent up to now is 421.2 secs Computing kpt #: 274 total cpu time spent up to now is 422.7 secs Computing kpt #: 275 total cpu time spent up to now is 424.2 secs Computing kpt #: 276 total cpu time spent up to now is 425.8 secs Computing kpt #: 277 total cpu time spent up to now is 427.3 secs Computing kpt #: 278 total cpu time spent up to now is 428.8 secs Computing kpt #: 279 total cpu time spent up to now is 430.4 secs Computing kpt #: 280 total cpu time spent up to now is 431.9 secs Computing kpt #: 281 total cpu time spent up to now is 433.4 secs Computing kpt #: 282 total cpu time spent up to now is 434.9 secs Computing kpt #: 283 total cpu time spent up to now is 436.3 secs Computing kpt #: 284 total cpu time spent up to now is 437.8 secs Computing kpt #: 285 total cpu time spent up to now is 439.2 secs Computing kpt #: 286 total cpu time spent up to now is 440.6 secs Computing kpt #: 287 total cpu time spent up to now is 442.1 secs Computing kpt #: 288 total cpu time spent up to now is 443.5 secs Computing kpt #: 289 total cpu time spent up to now is 444.8 secs Computing kpt #: 290 total cpu time spent up to now is 446.2 secs Computing kpt #: 291 total cpu time spent up to now is 447.6 secs Computing kpt #: 292 total cpu time spent up to now is 448.9 secs Computing kpt #: 293 total cpu time spent up to now is 450.3 secs Computing kpt #: 294 total cpu time spent up to now is 451.6 secs Computing kpt #: 295 total cpu time spent up to now is 452.8 secs Computing kpt #: 296 total cpu time spent up to now is 454.3 secs Computing kpt #: 297 total cpu time spent up to now is 455.8 secs Computing kpt #: 298 total cpu time spent up to now is 457.3 secs Computing kpt #: 299 total cpu time spent up to now is 458.8 secs Computing kpt #: 300 total cpu time spent up to now is 460.3 secs Computing kpt #: 301 total cpu time spent up to now is 461.8 secs Computing kpt #: 302 total cpu time spent up to now is 463.3 secs Computing kpt #: 303 total cpu time spent up to now is 464.8 secs Computing kpt #: 304 total cpu time spent up to now is 466.2 secs Computing kpt #: 305 total cpu time spent up to now is 467.7 secs Computing kpt #: 306 total cpu time spent up to now is 469.1 secs Computing kpt #: 307 total cpu time spent up to now is 470.6 secs Computing kpt #: 308 total cpu time spent up to now is 472.0 secs Computing kpt #: 309 total cpu time spent up to now is 473.5 secs Computing kpt #: 310 total cpu time spent up to now is 474.8 secs Computing kpt #: 311 total cpu time spent up to now is 476.3 secs Computing kpt #: 312 total cpu time spent up to now is 477.7 secs Computing kpt #: 313 total cpu time spent up to now is 479.2 secs Computing kpt #: 314 total cpu time spent up to now is 480.6 secs Computing kpt #: 315 total cpu time spent up to now is 482.2 secs Computing kpt #: 316 total cpu time spent up to now is 483.7 secs Computing kpt #: 317 total cpu time spent up to now is 485.2 secs Computing kpt #: 318 total cpu time spent up to now is 486.7 secs Computing kpt #: 319 total cpu time spent up to now is 488.2 secs Computing kpt #: 320 total cpu time spent up to now is 489.7 secs Computing kpt #: 321 total cpu time spent up to now is 491.2 secs Computing kpt #: 322 total cpu time spent up to now is 492.7 secs Computing kpt #: 323 total cpu time spent up to now is 494.1 secs Computing kpt #: 324 total cpu time spent up to now is 495.6 secs Computing kpt #: 325 total cpu time spent up to now is 497.1 secs Computing kpt #: 326 total cpu time spent up to now is 498.6 secs Computing kpt #: 327 total cpu time spent up to now is 500.1 secs Computing kpt #: 328 total cpu time spent up to now is 501.7 secs Computing kpt #: 329 total cpu time spent up to now is 503.2 secs Computing kpt #: 330 total cpu time spent up to now is 504.8 secs Computing kpt #: 331 total cpu time spent up to now is 506.4 secs Computing kpt #: 332 total cpu time spent up to now is 508.0 secs Computing kpt #: 333 total cpu time spent up to now is 509.6 secs Computing kpt #: 334 total cpu time spent up to now is 511.2 secs Computing kpt #: 335 total cpu time spent up to now is 512.8 secs Computing kpt #: 336 total cpu time spent up to now is 514.3 secs Computing kpt #: 337 total cpu time spent up to now is 515.9 secs Computing kpt #: 338 total cpu time spent up to now is 517.5 secs Computing kpt #: 339 total cpu time spent up to now is 519.0 secs Computing kpt #: 340 total cpu time spent up to now is 520.6 secs Computing kpt #: 341 total cpu time spent up to now is 522.2 secs ethr = 2.00E-08, avg # of iterations = 37.5 total cpu time spent up to now is 522.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9715 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7005 -9.7005 -4.0969 -4.0969 -2.2880 -2.2880 -1.9012 -1.9012 -0.6894 -0.6894 0.7824 0.7824 5.3963 5.3963 5.3967 5.3967 5.6683 5.6683 5.7856 5.7856 7.8923 7.8923 7.9815 7.9815 9.0233 9.0233 9.7138 9.7138 9.8787 9.8787 10.1261 10.1261 10.4497 10.4497 11.0102 11.0102 11.7072 11.7072 11.7344 11.7344 12.1340 12.1340 k = 0.0000 0.0128-0.0000 ( 9723 PWs) bands (ev): -46.9085 -46.9085 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1372 -23.1372 -23.0494 -23.0494 -22.7739 -22.7739 -22.6023 -22.6023 -17.5178 -17.5178 -9.6997 -9.6997 -4.0971 -4.0971 -2.2881 -2.2881 -1.9023 -1.9023 -0.6877 -0.6877 0.7819 0.7819 5.3921 5.3921 5.3958 5.3958 5.6710 5.6710 5.7834 5.7834 7.8938 7.8938 7.9829 7.9829 9.0231 9.0231 9.7070 9.7070 9.8752 9.8752 10.1141 10.1141 10.4703 10.4703 11.0069 11.0069 11.7072 11.7072 11.7345 11.7345 12.1354 12.1354 k = 0.0000 0.0256-0.0000 ( 9719 PWs) bands (ev): -46.9084 -46.9084 -46.8029 -46.8029 -23.7135 -23.7135 -23.5721 -23.5721 -23.1371 -23.1371 -23.0494 -23.0494 -22.7740 -22.7740 -22.6028 -22.6028 -17.5176 -17.5176 -9.6973 -9.6973 -4.0976 -4.0976 -2.2884 -2.2884 -1.9057 -1.9057 -0.6825 -0.6825 0.7805 0.7805 5.3792 5.3792 5.3938 5.3938 5.6791 5.6791 5.7768 5.7768 7.8980 7.8980 7.9873 7.9873 9.0225 9.0225 9.6836 9.6836 9.8663 9.8663 10.0898 10.0898 10.5218 10.5218 10.9971 10.9971 11.7066 11.7066 11.7356 11.7356 12.1395 12.1395 k = 0.0000 0.0385-0.0000 ( 9723 PWs) bands (ev): -46.9082 -46.9082 -46.8031 -46.8031 -23.7132 -23.7132 -23.5723 -23.5723 -23.1368 -23.1368 -23.0495 -23.0495 -22.7742 -22.7742 -22.6036 -22.6036 -17.5172 -17.5172 -9.6934 -9.6934 -4.0985 -4.0985 -2.2889 -2.2889 -1.9113 -1.9113 -0.6739 -0.6739 0.7782 0.7782 5.3584 5.3584 5.3904 5.3904 5.6919 5.6919 5.7659 5.7659 7.9048 7.9048 7.9945 7.9945 9.0214 9.0214 9.6373 9.6373 9.8572 9.8572 10.0701 10.0701 10.5886 10.5886 10.9812 10.9812 11.7038 11.7038 11.7390 11.7390 12.1461 12.1461 k = 0.0000 0.0513-0.0000 ( 9711 PWs) bands (ev): -46.9079 -46.9079 -46.8034 -46.8034 -23.7128 -23.7128 -23.5726 -23.5726 -23.1363 -23.1363 -23.0496 -23.0496 -22.7745 -22.7745 -22.6047 -22.6047 -17.5166 -17.5166 -9.6879 -9.6879 -4.0997 -4.0997 -2.2898 -2.2898 -1.9187 -1.9187 -0.6622 -0.6622 0.7749 0.7749 5.3307 5.3307 5.3858 5.3858 5.7086 5.7086 5.7511 5.7511 7.9140 7.9140 8.0049 8.0049 9.0199 9.0199 9.5665 9.5665 9.8531 9.8531 10.0612 10.0612 10.6611 10.6611 10.9598 10.9598 11.6977 11.6977 11.7454 11.7454 12.1549 12.1549 k = 0.0000 0.0641-0.0000 ( 9711 PWs) bands (ev): -46.9075 -46.9075 -46.8038 -46.8038 -23.7122 -23.7122 -23.5730 -23.5730 -23.1358 -23.1358 -23.0498 -23.0498 -22.7749 -22.7749 -22.6062 -22.6062 -17.5159 -17.5159 -9.6809 -9.6809 -4.1013 -4.1013 -2.2910 -2.2910 -1.9278 -1.9278 -0.6474 -0.6474 0.7708 0.7708 5.2968 5.2968 5.3799 5.3799 5.7266 5.7266 5.7347 5.7347 7.9251 7.9251 8.0183 8.0183 9.0177 9.0177 9.4761 9.4761 9.8551 9.8551 10.0621 10.0621 10.7340 10.7340 10.9346 10.9346 11.6884 11.6884 11.7546 11.7546 12.1653 12.1653 k = 0.0000 0.0769-0.0000 ( 9701 PWs) bands (ev): -46.9070 -46.9070 -46.8043 -46.8043 -23.7115 -23.7115 -23.5735 -23.5735 -23.1351 -23.1351 -23.0500 -23.0500 -22.7753 -22.7753 -22.6079 -22.6079 -17.5150 -17.5150 -9.6724 -9.6724 -4.1033 -4.1033 -2.2927 -2.2927 -1.9381 -1.9381 -0.6298 -0.6298 0.7657 0.7657 5.2573 5.2573 5.3728 5.3728 5.7095 5.7095 5.7530 5.7530 7.9379 7.9379 8.0348 8.0348 9.0147 9.0147 9.3723 9.3723 9.8622 9.8622 10.0702 10.0702 10.7993 10.7993 10.9120 10.9120 11.6764 11.6764 11.7657 11.7657 12.1770 12.1770 k = 0.0000 0.0897-0.0000 ( 9707 PWs) bands (ev): -46.9064 -46.9064 -46.8048 -46.8048 -23.7107 -23.7107 -23.5740 -23.5740 -23.1344 -23.1344 -23.0502 -23.0502 -22.7758 -22.7758 -22.6100 -22.6100 -17.5140 -17.5140 -9.6625 -9.6625 -4.1056 -4.1056 -2.2950 -2.2950 -1.9493 -1.9493 -0.6097 -0.6097 0.7598 0.7598 5.2127 5.2127 5.3646 5.3646 5.6844 5.6844 5.7792 5.7792 7.9521 7.9521 8.0542 8.0542 9.0105 9.0105 9.2601 9.2601 9.8732 9.8732 10.0838 10.0838 10.8234 10.8234 10.9252 10.9252 11.6618 11.6618 11.7785 11.7785 12.1894 12.1894 k = 0.0000 0.1026-0.0000 ( 9699 PWs) bands (ev): -46.9058 -46.9058 -46.8054 -46.8054 -23.7098 -23.7098 -23.5746 -23.5746 -23.1335 -23.1335 -23.0505 -23.0505 -22.7763 -22.7763 -22.6123 -22.6123 -17.5129 -17.5129 -9.6513 -9.6513 -4.1084 -4.1084 -2.2980 -2.2980 -1.9610 -1.9610 -0.5872 -0.5872 0.7531 0.7531 5.1634 5.1634 5.3554 5.3554 5.6564 5.6564 5.8082 5.8082 7.9675 7.9675 8.0765 8.0765 9.0034 9.0034 9.1444 9.1444 9.8874 9.8874 10.1017 10.1017 10.7954 10.7954 10.9851 10.9851 11.6447 11.6447 11.7926 11.7926 12.2022 12.2022 k = 0.0000 0.1154-0.0000 ( 9716 PWs) bands (ev): -46.9051 -46.9051 -46.8061 -46.8061 -23.7088 -23.7088 -23.5753 -23.5753 -23.1325 -23.1325 -23.0508 -23.0508 -22.7769 -22.7769 -22.6149 -22.6149 -17.5116 -17.5116 -9.6387 -9.6387 -4.1115 -4.1115 -2.3019 -2.3019 -1.9728 -1.9728 -0.5627 -0.5627 0.7455 0.7455 5.1100 5.1100 5.3451 5.3451 5.6260 5.6260 5.8400 5.8400 7.9841 7.9841 8.1012 8.1012 8.9767 8.9767 9.0435 9.0435 9.9042 9.9042 10.1233 10.1233 10.7524 10.7524 11.0550 11.0550 11.6254 11.6254 11.8078 11.8078 12.2149 12.2149 k = 0.0000 0.1282-0.0000 ( 9714 PWs) bands (ev): -46.9043 -46.9043 -46.8069 -46.8069 -23.7076 -23.7076 -23.5761 -23.5761 -23.1314 -23.1314 -23.0511 -23.0511 -22.7776 -22.7776 -22.6178 -22.6178 -17.5102 -17.5102 -9.6249 -9.6249 -4.1151 -4.1151 -2.3069 -2.3069 -1.9841 -1.9841 -0.5364 -0.5364 0.7371 0.7371 5.0528 5.0528 5.3340 5.3340 5.5936 5.5936 5.8742 5.8742 8.0019 8.0019 8.1279 8.1279 8.8773 8.8773 9.0120 9.0120 9.9236 9.9236 10.1479 10.1479 10.7035 10.7035 11.1259 11.1259 11.6039 11.6039 11.8242 11.8242 12.2272 12.2272 k = 0.0000 0.1410-0.0000 ( 9712 PWs) bands (ev): -46.9034 -46.9034 -46.8078 -46.8078 -23.7064 -23.7064 -23.5770 -23.5770 -23.1302 -23.1302 -23.0515 -23.0515 -22.7783 -22.7783 -22.6210 -22.6210 -17.5087 -17.5087 -9.6099 -9.6099 -4.1190 -4.1190 -2.3130 -2.3130 -1.9947 -1.9947 -0.5085 -0.5085 0.7280 0.7280 4.9924 4.9924 5.3221 5.3221 5.5597 5.5597 5.9110 5.9110 8.0207 8.0207 8.1564 8.1564 8.7538 8.7538 9.0025 9.0025 9.9451 9.9451 10.1752 10.1752 10.6511 10.6511 11.1956 11.1956 11.5803 11.5803 11.8415 11.8415 12.2386 12.2386 k = 0.0000 0.1538-0.0000 ( 9712 PWs) bands (ev): -46.9024 -46.9024 -46.8087 -46.8087 -23.7050 -23.7050 -23.5780 -23.5780 -23.1289 -23.1289 -23.0519 -23.0519 -22.7789 -22.7789 -22.6244 -22.6244 -17.5071 -17.5071 -9.5939 -9.5939 -4.1234 -4.1234 -2.3203 -2.3203 -2.0042 -2.0042 -0.4793 -0.4793 0.7182 0.7182 4.9291 4.9291 5.3096 5.3096 5.5244 5.5244 5.9501 5.9501 8.0406 8.0406 8.1862 8.1862 8.6267 8.6267 8.9951 8.9951 9.9687 9.9687 10.2046 10.2046 10.5965 10.5965 11.2633 11.2633 11.5547 11.5547 11.8601 11.8601 12.2487 12.2487 k = 0.0000 0.1667-0.0000 ( 9700 PWs) bands (ev): -46.9013 -46.9013 -46.8097 -46.8097 -23.7036 -23.7036 -23.5790 -23.5790 -23.1276 -23.1276 -23.0523 -23.0523 -22.7796 -22.7796 -22.6281 -22.6281 -17.5053 -17.5053 -9.5768 -9.5768 -4.1282 -4.1282 -2.3290 -2.3290 -2.0123 -2.0123 -0.4490 -0.4490 0.7078 0.7078 4.8636 4.8636 5.2964 5.2964 5.4883 5.4883 5.9914 5.9914 8.0616 8.0616 8.2168 8.2168 8.4992 8.4992 8.9879 8.9879 9.9942 9.9942 10.2350 10.2350 10.5411 10.5411 11.3281 11.3281 11.5272 11.5272 11.8798 11.8798 12.2570 12.2570 k = 0.0000 0.1795-0.0000 ( 9706 PWs) bands (ev): -46.9002 -46.9002 -46.8108 -46.8108 -23.7020 -23.7020 -23.5802 -23.5802 -23.1261 -23.1261 -23.0527 -23.0527 -22.7803 -22.7803 -22.6320 -22.6320 -17.5036 -17.5036 -9.5589 -9.5589 -4.1333 -4.1333 -2.3389 -2.3389 -2.0189 -2.0189 -0.4178 -0.4178 0.6967 0.6967 4.7963 4.7963 5.2827 5.2827 5.4517 5.4517 6.0348 6.0348 8.0838 8.0838 8.2466 8.2466 8.3733 8.3733 8.9803 8.9803 10.0216 10.0216 10.2644 10.2644 10.4876 10.4876 11.3890 11.3890 11.4980 11.4980 11.9008 11.9008 12.2627 12.2627 k = 0.0000 0.1923-0.0000 ( 9698 PWs) bands (ev): -46.8990 -46.8990 -46.8119 -46.8119 -23.7003 -23.7003 -23.5814 -23.5814 -23.1246 -23.1246 -23.0532 -23.0532 -22.7809 -22.7809 -22.6360 -22.6360 -17.5017 -17.5017 -9.5403 -9.5403 -4.1389 -4.1389 -2.3499 -2.3499 -2.0239 -2.0239 -0.3859 -0.3859 0.6851 0.6851 4.7277 4.7277 5.2687 5.2687 5.4147 5.4147 6.0801 6.0801 8.1069 8.1069 8.2331 8.2331 8.2921 8.2921 8.9723 8.9723 10.0506 10.0506 10.2860 10.2860 10.4429 10.4429 11.4436 11.4436 11.4688 11.4688 11.9231 11.9231 12.2648 12.2648 k = 0.0000 0.2051-0.0000 ( 9702 PWs) bands (ev): -46.8978 -46.8978 -46.8132 -46.8132 -23.6985 -23.6985 -23.5827 -23.5827 -23.1231 -23.1231 -23.0536 -23.0536 -22.7815 -22.7815 -22.6403 -22.6403 -17.4998 -17.4998 -9.5209 -9.5209 -4.1448 -4.1448 -2.3620 -2.3620 -2.0273 -2.0273 -0.3535 -0.3535 0.6731 0.6731 4.6582 4.6582 5.2544 5.2544 5.3777 5.3777 6.1271 6.1271 8.1141 8.1141 8.1314 8.1314 8.3178 8.3178 8.9638 8.9638 10.0814 10.0814 10.2823 10.2823 10.4249 10.4249 11.4328 11.4328 11.4978 11.4978 11.9467 11.9467 12.2626 12.2626 k = 0.0000 0.2179-0.0000 ( 9694 PWs) bands (ev): -46.8964 -46.8964 -46.8144 -46.8144 -23.6967 -23.6967 -23.5841 -23.5841 -23.1214 -23.1214 -23.0541 -23.0541 -22.7821 -22.7821 -22.6448 -22.6448 -17.4978 -17.4978 -9.5010 -9.5010 -4.1511 -4.1511 -2.3749 -2.3749 -2.0292 -2.0292 -0.3208 -0.3208 0.6606 0.6606 4.5884 4.5884 5.2399 5.2399 5.3409 5.3409 6.1756 6.1756 7.9915 7.9915 8.1563 8.1563 8.3497 8.3497 8.9549 8.9549 10.1135 10.1135 10.2454 10.2454 10.4419 10.4419 11.3992 11.3992 11.5418 11.5418 11.9717 11.9717 12.2548 12.2548 k = 0.0000 0.2308-0.0000 ( 9702 PWs) bands (ev): -46.8950 -46.8950 -46.8158 -46.8158 -23.6947 -23.6947 -23.5856 -23.5856 -23.1198 -23.1198 -23.0546 -23.0546 -22.7825 -22.7825 -22.6494 -22.6494 -17.4958 -17.4958 -9.4807 -9.4807 -4.1578 -4.1578 -2.3883 -2.3883 -2.0297 -2.0297 -0.2879 -0.2879 0.6477 0.6477 4.5187 4.5187 5.2254 5.2254 5.3046 5.3046 6.2254 6.2254 7.8704 7.8704 8.1823 8.1823 8.3821 8.3821 8.9456 8.9456 10.1467 10.1467 10.1930 10.1930 10.4767 10.4767 11.3640 11.3640 11.5792 11.5792 11.9979 11.9979 12.2409 12.2409 k = 0.0000 0.2436-0.0000 ( 9704 PWs) bands (ev): -46.8935 -46.8935 -46.8172 -46.8172 -23.6927 -23.6927 -23.5871 -23.5871 -23.1181 -23.1181 -23.0551 -23.0551 -22.7829 -22.7829 -22.6542 -22.6542 -17.4937 -17.4937 -9.4601 -9.4601 -4.1647 -4.1647 -2.4021 -2.4021 -2.0289 -2.0289 -0.2551 -0.2551 0.6346 0.6346 4.4495 4.4495 5.2108 5.2108 5.2690 5.2690 6.2763 6.2763 7.7518 7.7518 8.2090 8.2090 8.4145 8.4145 8.9360 8.9360 10.1331 10.1331 10.1835 10.1835 10.5187 10.5187 11.3276 11.3276 11.6090 11.6090 12.0252 12.0252 12.2204 12.2204 k = 0.0000 0.2564-0.0000 ( 9704 PWs) bands (ev): -46.8920 -46.8920 -46.8187 -46.8187 -23.6906 -23.6906 -23.5888 -23.5888 -23.1163 -23.1163 -23.0556 -23.0556 -22.7832 -22.7832 -22.6591 -22.6591 -17.4917 -17.4917 -9.4393 -9.4393 -4.1719 -4.1719 -2.4160 -2.4160 -2.0271 -2.0271 -0.2224 -0.2224 0.6213 0.6213 4.3813 4.3813 5.1964 5.1964 5.2342 5.2342 6.3280 6.3280 7.6362 7.6362 8.2364 8.2364 8.4468 8.4468 8.9261 8.9261 10.0740 10.0740 10.2193 10.2193 10.5645 10.5645 11.2903 11.2903 11.6310 11.6310 12.0536 12.0536 12.1935 12.1935 k = 0.0000 0.2692-0.0000 ( 9706 PWs) bands (ev): -46.8904 -46.8904 -46.8202 -46.8202 -23.6884 -23.6884 -23.5905 -23.5905 -23.1146 -23.1146 -23.0561 -23.0561 -22.7834 -22.7834 -22.6641 -22.6641 -17.4897 -17.4897 -9.4185 -9.4185 -4.1793 -4.1793 -2.4298 -2.4298 -2.0244 -2.0244 -0.1901 -0.1901 0.6078 0.6078 4.3145 4.3145 5.1821 5.1821 5.2004 5.2004 6.3802 6.3802 7.5241 7.5241 8.2644 8.2644 8.4787 8.4787 8.9160 8.9160 10.0142 10.0142 10.2566 10.2566 10.6126 10.6126 11.2522 11.2522 11.6451 11.6451 12.0827 12.0827 12.1610 12.1610 k = 0.0000 0.2821-0.0000 ( 9696 PWs) bands (ev): -46.8888 -46.8888 -46.8218 -46.8218 -23.6861 -23.6861 -23.5923 -23.5923 -23.1129 -23.1129 -23.0566 -23.0566 -22.7834 -22.7834 -22.6692 -22.6692 -17.4876 -17.4876 -9.3978 -9.3978 -4.1869 -4.1869 -2.4434 -2.4434 -2.0209 -2.0209 -0.1584 -0.1584 0.5943 0.5943 4.2494 4.2494 5.1671 5.1671 5.1689 5.1689 6.4325 6.4325 7.4158 7.4158 8.2928 8.2928 8.5103 8.5103 8.9058 8.9058 9.9550 9.9550 10.2950 10.2950 10.6626 10.6626 11.2137 11.2137 11.6515 11.6515 12.1101 12.1101 12.1261 12.1261 k = 0.0000 0.2949-0.0000 ( 9712 PWs) bands (ev): -46.8871 -46.8871 -46.8235 -46.8235 -23.6838 -23.6838 -23.5942 -23.5942 -23.1112 -23.1112 -23.0570 -23.0570 -22.7833 -22.7833 -22.6744 -22.6744 -17.4857 -17.4857 -9.3773 -9.3773 -4.1945 -4.1945 -2.4565 -2.4565 -2.0168 -2.0168 -0.1274 -0.1274 0.5809 0.5809 4.1865 4.1865 5.1363 5.1363 5.1547 5.1547 6.4846 6.4846 7.3119 7.3119 8.3214 8.3214 8.5414 8.5414 8.8957 8.8957 9.8967 9.8967 10.3342 10.3342 10.7138 10.7138 11.1750 11.1750 11.6502 11.6502 12.0817 12.0817 12.1443 12.1443 k = 0.0000 0.3077-0.0000 ( 9704 PWs) bands (ev): -46.8853 -46.8853 -46.8252 -46.8252 -23.6814 -23.6814 -23.5961 -23.5961 -23.1095 -23.1095 -23.0575 -23.0575 -22.7831 -22.7831 -22.6796 -22.6796 -17.4837 -17.4837 -9.3572 -9.3572 -4.2022 -4.2022 -2.4691 -2.4691 -2.0123 -2.0123 -0.0972 -0.0972 0.5676 0.5676 4.1261 4.1261 5.1065 5.1065 5.1416 5.1416 6.5358 6.5358 7.2128 7.2128 8.3501 8.3501 8.5720 8.5720 8.8856 8.8856 9.8398 9.8398 10.3742 10.3742 10.7661 10.7661 11.1362 11.1362 11.6414 11.6414 12.0393 12.0393 12.1747 12.1747 k = 0.0000 0.3205-0.0000 ( 9700 PWs) bands (ev): -46.8835 -46.8835 -46.8270 -46.8270 -23.6790 -23.6790 -23.5981 -23.5981 -23.1078 -23.1078 -23.0580 -23.0580 -22.7826 -22.7826 -22.6848 -22.6848 -17.4818 -17.4818 -9.3377 -9.3377 -4.2098 -4.2098 -2.4810 -2.4810 -2.0075 -2.0075 -0.0680 -0.0680 0.5546 0.5546 4.0684 4.0684 5.0781 5.0781 5.1289 5.1289 6.5855 6.5855 7.1193 7.1193 8.3787 8.3787 8.6021 8.6021 8.8758 8.8758 9.7845 9.7845 10.4146 10.4146 10.8192 10.8192 11.0978 11.0978 11.6256 11.6256 11.9961 11.9961 12.2053 12.2053 k = 0.0000 0.3333-0.0000 ( 9712 PWs) bands (ev): -46.8817 -46.8817 -46.8288 -46.8288 -23.6765 -23.6765 -23.6002 -23.6002 -23.1062 -23.1062 -23.0584 -23.0584 -22.7820 -22.7820 -22.6901 -22.6901 -17.4800 -17.4800 -9.3187 -9.3187 -4.2174 -4.2174 -2.4922 -2.4922 -2.0024 -2.0024 -0.0401 -0.0401 0.5419 0.5419 4.0137 4.0137 5.0513 5.0513 5.1169 5.1169 6.6325 6.6325 7.0325 7.0325 8.4070 8.4070 8.6316 8.6316 8.8662 8.8662 9.7309 9.7309 10.4554 10.4554 10.8726 10.8726 11.0599 11.0599 11.6031 11.6031 11.9535 11.9535 12.2358 12.2358 k = 0.0000 0.3462-0.0000 ( 9712 PWs) bands (ev): -46.8798 -46.8798 -46.8306 -46.8306 -23.6740 -23.6740 -23.6023 -23.6023 -23.1046 -23.1046 -23.0588 -23.0588 -22.7811 -22.7811 -22.6954 -22.6954 -17.4783 -17.4783 -9.3006 -9.3006 -4.2248 -4.2248 -2.5026 -2.5026 -1.9973 -1.9973 -0.0135 -0.0135 0.5296 0.5296 3.9623 3.9623 5.0262 5.0262 5.1055 5.1055 6.6740 6.6740 6.9551 6.9551 8.4348 8.4348 8.6604 8.6604 8.8571 8.8571 9.6793 9.6793 10.4962 10.4962 10.9262 10.9262 11.0231 11.0231 11.5747 11.5747 11.9125 11.9125 12.2658 12.2658 k = 0.0000 0.3590-0.0000 ( 9714 PWs) bands (ev): -46.8779 -46.8779 -46.8325 -46.8325 -23.6715 -23.6715 -23.6045 -23.6045 -23.1032 -23.1032 -23.0592 -23.0592 -22.7801 -22.7801 -22.7006 -22.7006 -17.4766 -17.4766 -9.2834 -9.2834 -4.2319 -4.2319 -2.5122 -2.5122 -1.9922 -1.9922 0.0117 0.0117 0.5179 0.5179 3.9144 3.9144 5.0029 5.0029 5.0948 5.0948 6.7029 6.7029 6.8941 6.8941 8.4619 8.4619 8.6885 8.6885 8.8486 8.8486 9.6297 9.6297 10.5369 10.5369 10.9758 10.9758 10.9912 10.9912 11.5415 11.5415 11.8735 11.8735 12.2950 12.2950 k = 0.0000 0.3718-0.0000 ( 9708 PWs) bands (ev): -46.8759 -46.8759 -46.8344 -46.8344 -23.6690 -23.6690 -23.6067 -23.6067 -23.1018 -23.1018 -23.0596 -23.0596 -22.7789 -22.7789 -22.7058 -22.7058 -17.4751 -17.4751 -9.2672 -9.2672 -4.2387 -4.2387 -2.5210 -2.5210 -1.9872 -1.9872 0.0352 0.0352 0.5067 0.5067 3.8703 3.8703 4.9815 4.9815 5.0849 5.0849 6.7019 6.7019 6.8667 6.8667 8.4879 8.4879 8.7155 8.7155 8.8409 8.8409 9.5824 9.5824 10.5770 10.5770 10.9517 10.9517 11.0343 11.0343 11.5049 11.5049 11.8369 11.8369 12.3231 12.3231 k = 0.0000 0.3846-0.0000 ( 9706 PWs) bands (ev): -46.8739 -46.8739 -46.8364 -46.8364 -23.6665 -23.6665 -23.6089 -23.6089 -23.1005 -23.1005 -23.0599 -23.0599 -22.7774 -22.7774 -22.7109 -22.7109 -17.4737 -17.4737 -9.2521 -9.2521 -4.2451 -4.2451 -2.5289 -2.5289 -1.9824 -1.9824 0.0569 0.0569 0.4963 0.4963 3.8299 3.8299 4.9619 4.9619 5.0758 5.0758 6.6662 6.6662 6.8775 6.8775 8.5127 8.5127 8.7411 8.7411 8.8344 8.8344 9.5375 9.5375 10.6162 10.6162 10.9194 10.9194 11.0864 11.0864 11.4664 11.4664 11.8026 11.8026 12.3497 12.3497 k = 0.0000 0.3974-0.0000 ( 9724 PWs) bands (ev): -46.8719 -46.8719 -46.8384 -46.8384 -23.6640 -23.6640 -23.6111 -23.6111 -23.0993 -23.0993 -23.0603 -23.0603 -22.7757 -22.7757 -22.7160 -22.7160 -17.4724 -17.4724 -9.2383 -9.2383 -4.2510 -4.2510 -2.5360 -2.5360 -1.9779 -1.9779 0.0768 0.0768 0.4866 0.4866 3.7936 3.7936 4.9443 4.9443 5.0675 5.0675 6.6170 6.6170 6.9051 6.9051 8.5359 8.5359 8.7644 8.7644 8.8301 8.8301 9.4953 9.4953 10.6542 10.6542 10.8891 10.8891 11.1374 11.1374 11.4277 11.4277 11.7704 11.7704 12.3745 12.3745 k = 0.0000 0.4103-0.0000 ( 9722 PWs) bands (ev): -46.8698 -46.8698 -46.8404 -46.8404 -23.6615 -23.6615 -23.6133 -23.6133 -23.0982 -23.0982 -23.0605 -23.0605 -22.7737 -22.7737 -22.7209 -22.7209 -17.4712 -17.4712 -9.2259 -9.2259 -4.2564 -4.2564 -2.5422 -2.5422 -1.9738 -1.9738 0.0946 0.0946 0.4779 0.4779 3.7613 3.7613 4.9286 4.9286 5.0601 5.0601 6.5677 6.5677 6.9362 6.9362 8.5573 8.5573 8.7826 8.7826 8.8304 8.8304 9.4558 9.4558 10.6903 10.6903 10.8614 10.8614 11.1864 11.1864 11.3903 11.3903 11.7404 11.7404 12.3947 12.3948 k = 0.0000 0.4231-0.0000 ( 9726 PWs) bands (ev): -46.8678 -46.8678 -46.8424 -46.8424 -23.6592 -23.6592 -23.6154 -23.6154 -23.0973 -23.0973 -23.0608 -23.0608 -22.7716 -22.7716 -22.7257 -22.7257 -17.4702 -17.4702 -9.2149 -9.2149 -4.2612 -4.2612 -2.5475 -2.5475 -1.9700 -1.9700 0.1103 0.1103 0.4700 0.4700 3.7333 3.7333 4.9150 4.9150 5.0536 5.0536 6.5224 6.5224 6.9661 6.9661 8.5766 8.5766 8.7919 8.7919 8.8391 8.8391 9.4195 9.4195 10.7239 10.7239 10.8365 10.8365 11.2322 11.2322 11.3562 11.3562 11.7127 11.7127 12.3644 12.3644 k = 0.0000 0.4359-0.0000 ( 9734 PWs) bands (ev): -46.8657 -46.8657 -46.8445 -46.8445 -23.6570 -23.6570 -23.6175 -23.6175 -23.0965 -23.0965 -23.0610 -23.0610 -22.7692 -22.7692 -22.7303 -22.7303 -17.4693 -17.4693 -9.2055 -9.2055 -4.2654 -4.2654 -2.5521 -2.5521 -1.9668 -1.9668 0.1238 0.1238 0.4633 0.4633 3.7094 3.7094 4.9034 4.9034 5.0481 5.0481 6.4828 6.4828 6.9931 6.9931 8.5936 8.5936 8.7934 8.7934 8.8546 8.8546 9.3868 9.3868 10.7543 10.7543 10.8149 10.8149 11.2711 11.2711 11.3289 11.3289 11.6877 11.6877 12.3178 12.3178 k = 0.0000 0.4487-0.0000 ( 9734 PWs) bands (ev): -46.8636 -46.8636 -46.8466 -46.8466 -23.6549 -23.6549 -23.6194 -23.6194 -23.0958 -23.0958 -23.0612 -23.0612 -22.7667 -22.7667 -22.7348 -22.7348 -17.4685 -17.4685 -9.1977 -9.1977 -4.2688 -4.2688 -2.5557 -2.5557 -1.9640 -1.9640 0.1350 0.1350 0.4576 0.4576 3.6899 3.6899 4.8939 4.8939 5.0435 5.0435 6.4498 6.4498 7.0161 7.0161 8.6078 8.6078 8.7920 8.7920 8.8716 8.8716 9.3583 9.3583 10.7798 10.7798 10.7978 10.7978 11.2824 11.2824 11.3293 11.3293 11.6658 11.6658 12.2760 12.2760 k = 0.0000 0.4615-0.0000 ( 9726 PWs) bands (ev): -46.8615 -46.8615 -46.8487 -46.8487 -23.6531 -23.6531 -23.6210 -23.6210 -23.0953 -23.0953 -23.0613 -23.0613 -22.7640 -22.7640 -22.7389 -22.7389 -17.4680 -17.4680 -9.1915 -9.1915 -4.2716 -4.2716 -2.5586 -2.5586 -1.9618 -1.9618 0.1437 0.1437 0.4532 0.4532 3.6747 3.6747 4.8865 4.8865 5.0400 5.0400 6.4238 6.4238 7.0346 7.0346 8.6192 8.6192 8.7900 8.7900 8.8871 8.8871 9.3346 9.3346 10.7804 10.7804 10.8047 10.8047 11.2667 11.2667 11.3558 11.3558 11.6477 11.6477 12.2407 12.2407 k = 0.0000 0.4744-0.0000 ( 9716 PWs) bands (ev): -46.8593 -46.8593 -46.8508 -46.8508 -23.6517 -23.6517 -23.6223 -23.6223 -23.0949 -23.0949 -23.0614 -23.0614 -22.7613 -22.7613 -22.7427 -22.7427 -17.4676 -17.4676 -9.1871 -9.1871 -4.2736 -4.2736 -2.5606 -2.5606 -1.9602 -1.9602 0.1501 0.1501 0.4499 0.4499 3.6638 3.6638 4.8812 4.8812 5.0374 5.0374 6.4050 6.4050 7.0481 7.0481 8.6275 8.6275 8.7883 8.7883 8.8994 8.8994 9.3167 9.3167 10.7705 10.7705 10.8206 10.8206 11.2520 11.2520 11.3795 11.3795 11.6342 11.6342 12.2138 12.2138 k = 0.0000 0.4872-0.0000 ( 9714 PWs) bands (ev): -46.8572 -46.8572 -46.8529 -46.8529 -23.6508 -23.6508 -23.6232 -23.6232 -23.0947 -23.0947 -23.0614 -23.0614 -22.7590 -22.7590 -22.7456 -22.7456 -17.4673 -17.4673 -9.1845 -9.1845 -4.2748 -4.2748 -2.5618 -2.5618 -1.9593 -1.9593 0.1539 0.1539 0.4480 0.4480 3.6572 3.6572 4.8780 4.8780 5.0359 5.0359 6.3937 6.3937 7.0563 7.0563 8.6326 8.6326 8.7872 8.7872 8.9074 8.9074 9.3054 9.3054 10.7642 10.7642 10.8307 10.8307 11.2427 11.2427 11.3950 11.3950 11.6257 11.6257 12.1969 12.1969 k = 0.0000 0.5000-0.0000 ( 9706 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1836 -9.1836 -4.2752 -4.2752 -2.5622 -2.5622 -1.9590 -1.9590 0.1551 0.1551 0.4473 0.4473 3.6551 3.6551 4.8770 4.8770 5.0354 5.0354 6.3899 6.3899 7.0590 7.0590 8.6343 8.6343 8.7868 8.7868 8.9102 8.9102 9.3016 9.3016 10.7621 10.7621 10.8341 10.8341 11.2395 11.2395 11.4003 11.4003 11.6229 11.6229 12.1911 12.1911 k = 0.0000 0.5000-0.0000 ( 9706 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1836 -9.1836 -4.2752 -4.2752 -2.5622 -2.5622 -1.9590 -1.9590 0.1551 0.1551 0.4473 0.4473 3.6551 3.6551 4.8770 4.8770 5.0354 5.0354 6.3899 6.3899 7.0590 7.0590 8.6343 8.6343 8.7868 8.7868 8.9102 8.9102 9.3016 9.3016 10.7621 10.7621 10.8341 10.8341 11.2395 11.2395 11.4003 11.4003 11.6229 11.6229 12.1911 12.1911 k = 0.0128 0.5000-0.0000 ( 9706 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6515 -23.6515 -23.6228 -23.6228 -23.0958 -23.0958 -23.0602 -23.0602 -22.7617 -22.7617 -22.7431 -22.7431 -17.4672 -17.4672 -9.1828 -9.1828 -4.2751 -4.2751 -2.5620 -2.5620 -1.9597 -1.9597 0.1553 0.1553 0.4476 0.4476 3.6542 3.6542 4.8766 4.8766 5.0314 5.0314 6.3917 6.3917 7.0585 7.0585 8.6286 8.6286 8.7840 8.7840 8.9064 8.9064 9.3069 9.3069 10.7658 10.7658 10.8294 10.8294 11.2374 11.2374 11.4091 11.4091 11.6252 11.6252 12.1936 12.1936 k = 0.0256 0.5000-0.0000 ( 9710 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6541 -23.6541 -23.6209 -23.6209 -23.0989 -23.0989 -23.0568 -23.0568 -22.7682 -22.7682 -22.7363 -22.7363 -17.4669 -17.4669 -9.1805 -9.1805 -4.2751 -4.2751 -2.5612 -2.5612 -1.9618 -1.9618 0.1560 0.1560 0.4484 0.4484 3.6516 3.6516 4.8756 4.8756 5.0197 5.0197 6.3972 6.3972 7.0569 7.0569 8.6123 8.6123 8.7754 8.7754 8.8954 8.8954 9.3223 9.3223 10.7767 10.7767 10.8162 10.8162 11.2309 11.2309 11.4347 11.4347 11.6323 11.6323 12.2011 12.2011 k = 0.0385 0.5000-0.0000 ( 9722 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6580 -23.6580 -23.6183 -23.6183 -23.1032 -23.1032 -23.0520 -23.0520 -22.7751 -22.7751 -22.7290 -22.7290 -17.4666 -17.4666 -9.1767 -9.1767 -4.2750 -4.2750 -2.5601 -2.5601 -1.9654 -1.9654 0.1570 0.1570 0.4497 0.4497 3.6474 3.6474 4.8740 4.8740 5.0003 5.0003 6.4061 6.4061 7.0543 7.0543 8.5868 8.5868 8.7610 8.7610 8.8775 8.8775 9.3461 9.3461 10.7920 10.7920 10.7996 10.7996 11.2196 11.2196 11.4748 11.4748 11.6447 11.6447 12.2134 12.2134 k = 0.0513 0.5000-0.0000 ( 9726 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6626 -23.6626 -23.6154 -23.6154 -23.1080 -23.1080 -23.0466 -23.0466 -22.7820 -22.7820 -22.7215 -22.7215 -17.4660 -17.4660 -9.1714 -9.1714 -4.2749 -4.2749 -2.5584 -2.5584 -1.9703 -1.9703 0.1583 0.1583 0.4516 0.4516 3.6415 3.6415 4.8716 4.8716 4.9737 4.9737 6.4184 6.4184 7.0507 7.0507 8.5541 8.5541 8.7410 8.7410 8.8535 8.8535 9.3762 9.3762 10.7732 10.7732 10.8202 10.8202 11.2036 11.2036 11.5262 11.5262 11.6627 11.6627 12.2302 12.2302 k = 0.0641 0.5000-0.0000 ( 9714 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6678 -23.6678 -23.6124 -23.6124 -23.1131 -23.1131 -23.0407 -23.0407 -22.7889 -22.7889 -22.7140 -22.7140 -17.4654 -17.4654 -9.1647 -9.1647 -4.2748 -4.2748 -2.5564 -2.5564 -1.9766 -1.9766 0.1601 0.1601 0.4540 0.4540 3.6339 3.6339 4.8687 4.8687 4.9401 4.9401 6.4337 6.4337 7.0460 7.0460 8.5161 8.5161 8.7156 8.7156 8.8239 8.8239 9.4106 9.4106 10.7491 10.7491 10.8507 10.8507 11.1831 11.1831 11.5862 11.5862 11.6869 11.6869 12.2511 12.2511 k = 0.0769 0.5000-0.0000 ( 9714 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6733 -23.6733 -23.6095 -23.6095 -23.1182 -23.1182 -23.0346 -23.0346 -22.7955 -22.7955 -22.7064 -22.7064 -17.4645 -17.4645 -9.1565 -9.1565 -4.2746 -4.2746 -2.5539 -2.5539 -1.9840 -1.9840 0.1622 0.1622 0.4569 0.4569 3.6248 3.6248 4.8651 4.8651 4.9001 4.9001 6.4519 6.4519 7.0404 7.0404 8.4743 8.4743 8.6853 8.6853 8.7895 8.7895 9.4475 9.4475 10.7251 10.7251 10.8869 10.8869 11.1586 11.1586 11.6523 11.6523 11.7176 11.7176 12.2759 12.2759 k = 0.0897 0.5000-0.0000 ( 9720 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6792 -23.6792 -23.6067 -23.6067 -23.1234 -23.1234 -23.0285 -23.0285 -22.8020 -22.8020 -22.6989 -22.6989 -17.4636 -17.4636 -9.1470 -9.1470 -4.2745 -4.2745 -2.5510 -2.5510 -1.9925 -1.9925 0.1647 0.1647 0.4602 0.4602 3.6141 3.6141 4.8538 4.8538 4.8613 4.8613 6.4726 6.4726 7.0338 7.0338 8.4300 8.4300 8.6507 8.6507 8.7508 8.7508 9.4853 9.4853 10.7021 10.7021 10.9278 10.9278 11.1308 11.1308 11.7214 11.7214 11.7562 11.7562 12.3042 12.3042 k = 0.1026 0.5000-0.0000 ( 9724 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6854 -23.6854 -23.6040 -23.6040 -23.1284 -23.1284 -23.0224 -23.0224 -22.8082 -22.8082 -22.6914 -22.6914 -17.4625 -17.4625 -9.1361 -9.1361 -4.2744 -4.2744 -2.5478 -2.5478 -2.0021 -2.0021 0.1675 0.1675 0.4641 0.4641 3.6020 3.6020 4.8027 4.8027 4.8564 4.8564 6.4956 6.4956 7.0263 7.0263 8.3841 8.3841 8.6122 8.6122 8.7086 8.7086 9.5226 9.5226 10.6808 10.6808 10.9728 10.9728 11.1003 11.1003 11.7842 11.7842 11.8102 11.8102 12.3356 12.3356 k = 0.1154 0.5000-0.0000 ( 9726 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6918 -23.6918 -23.6016 -23.6016 -23.1333 -23.1333 -23.0163 -23.0163 -22.8142 -22.8142 -22.6839 -22.6839 -17.4613 -17.4613 -9.1240 -9.1240 -4.2744 -4.2744 -2.5443 -2.5443 -2.0125 -2.0125 0.1706 0.1706 0.4683 0.4683 3.5886 3.5886 4.7465 4.7465 4.8511 4.8511 6.5205 6.5205 7.0180 7.0180 8.3374 8.3374 8.5705 8.5705 8.6634 8.6634 9.5585 9.5585 10.6614 10.6614 11.0214 11.0214 11.0678 11.0678 11.8366 11.8366 11.8825 11.8825 12.3699 12.3699 k = 0.1282 0.5000-0.0000 ( 9722 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6983 -23.6983 -23.5993 -23.5993 -23.1380 -23.1380 -23.0104 -23.0104 -22.8199 -22.8199 -22.6766 -22.6766 -17.4600 -17.4600 -9.1107 -9.1107 -4.2744 -4.2744 -2.5405 -2.5405 -2.0236 -2.0236 0.1739 0.1739 0.4730 0.4730 3.5739 3.5739 4.6859 4.6859 4.8455 4.8455 6.5472 6.5472 7.0089 7.0089 8.2904 8.2904 8.5261 8.5261 8.6157 8.6157 9.5918 9.5918 10.6438 10.6438 11.0339 11.0339 11.0730 11.0730 11.8901 11.8901 11.9599 11.9599 12.4050 12.4050 k = 0.1410 0.5000-0.0000 ( 9718 PWs) bands (ev): -46.8551 -46.8551 -46.8547 -46.8547 -23.7050 -23.7050 -23.5972 -23.5972 -23.1426 -23.1426 -23.0047 -23.0047 -22.8252 -22.8252 -22.6693 -22.6693 -17.4586 -17.4586 -9.0962 -9.0962 -4.2745 -4.2745 -2.5364 -2.5364 -2.0353 -2.0353 0.1775 0.1775 0.4781 0.4781 3.5580 3.5580 4.6217 4.6217 4.8393 4.8393 6.5753 6.5753 6.9992 6.9992 8.2435 8.2435 8.4795 8.4795 8.5661 8.5661 9.6217 9.6217 10.6281 10.6281 10.9995 10.9995 11.1268 11.1268 11.9473 11.9473 12.0385 12.0385 12.4094 12.4094 k = 0.1538 0.5000-0.0000 ( 9726 PWs) bands (ev): -46.8551 -46.8551 -46.8547 -46.8547 -23.7118 -23.7118 -23.5952 -23.5952 -23.1470 -23.1470 -22.9993 -22.9993 -22.8301 -22.8301 -22.6621 -22.6621 -17.4571 -17.4571 -9.0807 -9.0807 -4.2746 -4.2746 -2.5322 -2.5322 -2.0474 -2.0474 0.1812 0.1812 0.4836 0.4836 3.5410 3.5410 4.5542 4.5542 4.8329 4.8329 6.6046 6.6046 6.9890 6.9890 8.1970 8.1970 8.4312 8.4312 8.5152 8.5152 9.6473 9.6473 10.6141 10.6141 10.9648 10.9648 11.1825 11.1825 12.0079 12.0079 12.1170 12.1170 12.3985 12.3985 k = 0.1667 0.5000-0.0000 ( 9714 PWs) bands (ev): -46.8550 -46.8550 -46.8546 -46.8546 -23.7187 -23.7187 -23.5935 -23.5935 -23.1511 -23.1511 -22.9941 -22.9941 -22.8347 -22.8347 -22.6551 -22.6551 -17.4555 -17.4555 -9.0642 -9.0642 -4.2749 -4.2749 -2.5279 -2.5279 -2.0598 -2.0598 0.1852 0.1852 0.4893 0.4893 3.5231 3.5231 4.4841 4.4841 4.8260 4.8260 6.6349 6.6349 6.9783 6.9783 8.1513 8.1513 8.3816 8.3816 8.4632 8.4632 9.6680 9.6680 10.6017 10.6017 10.9303 10.9303 11.2397 11.2397 12.0711 12.0711 12.1946 12.1946 12.3336 12.3336 k = 0.1795 0.5000-0.0000 ( 9730 PWs) bands (ev): -46.8550 -46.8550 -46.8546 -46.8546 -23.7256 -23.7256 -23.5919 -23.5919 -23.1551 -23.1551 -22.9894 -22.9894 -22.8388 -22.8388 -22.6482 -22.6482 -17.4538 -17.4538 -9.0469 -9.0469 -4.2753 -4.2753 -2.5236 -2.5236 -2.0722 -2.0722 0.1892 0.1892 0.4954 0.4954 3.5043 3.5043 4.4119 4.4119 4.8189 4.8189 6.6659 6.6659 6.9674 6.9674 8.1066 8.1066 8.3310 8.3310 8.4106 8.4106 9.6832 9.6832 10.5906 10.5906 10.8964 10.8964 11.2979 11.2979 12.1361 12.1361 12.2589 12.2589 12.2746 12.2746 k = 0.1923 0.5000-0.0000 ( 9734 PWs) bands (ev): -46.8549 -46.8549 -46.8546 -46.8546 -23.7325 -23.7325 -23.5905 -23.5905 -23.1589 -23.1589 -22.9850 -22.9850 -22.8424 -22.8424 -22.6414 -22.6414 -17.4521 -17.4521 -9.0288 -9.0288 -4.2758 -4.2758 -2.5193 -2.5193 -2.0846 -2.0846 0.1934 0.1934 0.5018 0.5018 3.4848 3.4848 4.3381 4.3381 4.8115 4.8115 6.6974 6.6974 6.9565 6.9565 8.0630 8.0630 8.2798 8.2798 8.3578 8.3578 9.6923 9.6923 10.5808 10.5808 10.8634 10.8634 11.3567 11.3567 12.1994 12.1994 12.2024 12.2024 12.3435 12.3435 k = 0.2051 0.5000-0.0000 ( 9732 PWs) bands (ev): -46.8549 -46.8549 -46.8546 -46.8546 -23.7394 -23.7394 -23.5893 -23.5893 -23.1625 -23.1625 -22.9811 -22.9811 -22.8454 -22.8454 -22.6348 -22.6348 -17.4503 -17.4503 -9.0101 -9.0101 -4.2765 -4.2765 -2.5152 -2.5152 -2.0966 -2.0966 0.1976 0.1976 0.5083 0.5083 3.4647 3.4647 4.2632 4.2632 4.8040 4.8040 6.7291 6.7291 6.9458 6.9458 8.0207 8.0207 8.2282 8.2282 8.3051 8.3051 9.6951 9.6951 10.5720 10.5720 10.8315 10.8315 11.4158 11.4158 12.1477 12.1477 12.2662 12.2662 12.3603 12.3603 k = 0.2179 0.5000-0.0000 ( 9730 PWs) bands (ev): -46.8549 -46.8549 -46.8545 -46.8545 -23.7463 -23.7463 -23.5882 -23.5882 -23.1659 -23.1659 -22.9777 -22.9777 -22.8479 -22.8479 -22.6284 -22.6284 -17.4484 -17.4484 -8.9908 -8.9908 -4.2774 -4.2774 -2.5112 -2.5112 -2.1083 -2.1083 0.2018 0.2018 0.5150 0.5150 3.4442 3.4442 4.1877 4.1877 4.7963 4.7963 6.7607 6.7607 6.9355 6.9355 7.9797 7.9797 8.1764 8.1764 8.2528 8.2528 9.6916 9.6916 10.5643 10.5643 10.8010 10.8010 11.4750 11.4750 12.1042 12.1042 12.3275 12.3275 12.3537 12.3537 k = 0.2308 0.5000-0.0000 ( 9738 PWs) bands (ev): -46.8548 -46.8548 -46.8545 -46.8545 -23.7531 -23.7531 -23.5873 -23.5873 -23.1691 -23.1691 -22.9749 -22.9749 -22.8498 -22.8498 -22.6222 -22.6222 -17.4466 -17.4466 -8.9711 -8.9711 -4.2784 -4.2784 -2.5075 -2.5075 -2.1194 -2.1194 0.2060 0.2060 0.5219 0.5219 3.4233 3.4233 4.1120 4.1120 4.7886 4.7886 6.7918 6.7918 6.9262 6.9262 7.9402 7.9402 8.1245 8.1245 8.2012 8.2012 9.6818 9.6818 10.5574 10.5574 10.7721 10.7721 11.5338 11.5338 12.0695 12.0695 12.3430 12.3430 12.3894 12.3894 k = 0.2436 0.5000-0.0000 ( 9730 PWs) bands (ev): -46.8548 -46.8548 -46.8545 -46.8545 -23.7599 -23.7599 -23.5865 -23.5865 -23.1721 -23.1721 -22.9726 -22.9726 -22.8512 -22.8512 -22.6162 -22.6162 -17.4447 -17.4447 -8.9511 -8.9511 -4.2795 -4.2795 -2.5042 -2.5042 -2.1297 -2.1297 0.2101 0.2101 0.5289 0.5289 3.4022 3.4022 4.0367 4.0367 4.7808 4.7808 6.8217 6.8217 6.9186 6.9186 7.9022 7.9022 8.0727 8.0727 8.1506 8.1506 9.6661 9.6661 10.5514 10.5514 10.7449 10.7449 11.5920 11.5920 12.0433 12.0433 12.3360 12.3360 12.4435 12.4435 k = 0.2564 0.5000-0.0000 ( 9734 PWs) bands (ev): -46.8547 -46.8547 -46.8544 -46.8544 -23.7665 -23.7665 -23.5858 -23.5858 -23.1749 -23.1749 -22.9709 -22.9709 -22.8519 -22.8519 -22.6104 -22.6104 -17.4428 -17.4428 -8.9309 -8.9309 -4.2808 -4.2808 -2.5013 -2.5013 -2.1392 -2.1392 0.2142 0.2142 0.5359 0.5359 3.3811 3.3811 3.9621 3.9621 4.7730 4.7730 6.8484 6.8484 6.9145 6.9145 7.8656 7.8656 8.0211 8.0211 8.1012 8.1012 9.6451 9.6451 10.5462 10.5462 10.7195 10.7195 11.6493 11.6493 12.0248 12.0248 12.3292 12.3292 12.4927 12.4927 k = 0.2692 0.5000-0.0000 ( 9744 PWs) bands (ev): -46.8547 -46.8547 -46.8544 -46.8544 -23.7729 -23.7729 -23.5853 -23.5853 -23.1776 -23.1776 -22.9697 -22.9697 -22.8522 -22.8522 -22.6049 -22.6049 -17.4409 -17.4409 -8.9107 -8.9107 -4.2823 -4.2823 -2.4989 -2.4989 -2.1477 -2.1477 0.2181 0.2181 0.5429 0.5429 3.3601 3.3601 3.8887 3.8887 4.7653 4.7653 6.8671 6.8671 6.9190 6.9190 7.8305 7.8305 7.9698 7.9698 8.0534 8.0534 9.6192 9.6192 10.5418 10.5418 10.6960 10.6960 11.7056 11.7056 12.0132 12.0132 12.3228 12.3228 12.5362 12.5362 k = 0.2821 0.5000-0.0000 ( 9736 PWs) bands (ev): -46.8546 -46.8546 -46.8544 -46.8544 -23.7791 -23.7791 -23.5848 -23.5848 -23.1800 -23.1800 -22.9689 -22.9689 -22.8519 -22.8519 -22.5995 -22.5995 -17.4390 -17.4390 -8.8906 -8.8906 -4.2839 -4.2839 -2.4971 -2.4971 -2.1552 -2.1552 0.2219 0.2219 0.5499 0.5499 3.3393 3.3393 3.8169 3.8169 4.7578 4.7578 6.8734 6.8734 6.9364 6.9364 7.7967 7.7967 7.9191 7.9191 8.0073 8.0073 9.5894 9.5894 10.5381 10.5381 10.6744 10.6744 11.7604 11.7604 12.0076 12.0076 12.3171 12.3171 12.5738 12.5738 k = 0.2949 0.5000-0.0000 ( 9740 PWs) bands (ev): -46.8546 -46.8546 -46.8544 -46.8544 -23.7852 -23.7852 -23.5844 -23.5844 -23.1823 -23.1823 -22.9686 -22.9686 -22.8512 -22.8512 -22.5945 -22.5945 -17.4371 -17.4371 -8.8707 -8.8707 -4.2857 -4.2857 -2.4958 -2.4958 -2.1616 -2.1616 0.2254 0.2254 0.5568 0.5568 3.3189 3.3189 3.7470 3.7470 4.7504 4.7504 6.8731 6.8731 6.9610 6.9610 7.7640 7.7640 7.8693 7.8693 7.9631 7.9631 9.5565 9.5565 10.5350 10.5350 10.6549 10.6549 11.8137 11.8137 12.0072 12.0072 12.3120 12.3120 12.6052 12.6052 k = 0.3077 0.5000-0.0000 ( 9728 PWs) bands (ev): -46.8545 -46.8545 -46.8543 -46.8543 -23.7910 -23.7910 -23.5841 -23.5841 -23.1844 -23.1844 -22.9687 -22.9687 -22.8501 -22.8501 -22.5896 -22.5896 -17.4353 -17.4353 -8.8511 -8.8511 -4.2875 -4.2875 -2.4951 -2.4951 -2.1669 -2.1669 0.2288 0.2288 0.5636 0.5636 3.2990 3.2990 3.6794 3.6794 4.7432 4.7432 6.8716 6.8716 6.9873 6.9873 7.7319 7.7319 7.8209 7.8209 7.9212 7.9212 9.5213 9.5213 10.5326 10.5326 10.6374 10.6374 11.8651 11.8651 12.0110 12.0110 12.3074 12.3074 12.6304 12.6304 k = 0.3205 0.5000-0.0000 ( 9720 PWs) bands (ev): -46.8545 -46.8545 -46.8543 -46.8543 -23.7966 -23.7966 -23.5839 -23.5839 -23.1864 -23.1864 -22.9691 -22.9691 -22.8488 -22.8488 -22.5851 -22.5851 -17.4336 -17.4336 -8.8321 -8.8321 -4.2894 -4.2894 -2.4949 -2.4949 -2.1711 -2.1711 0.2320 0.2320 0.5701 0.5701 3.2796 3.2796 3.6145 3.6145 4.7363 4.7363 6.8708 6.8708 7.0135 7.0135 7.6995 7.6995 7.7750 7.7750 7.8815 7.8815 9.4846 9.4846 10.5308 10.5308 10.6219 10.6219 11.9145 11.9145 12.0181 12.0181 12.3034 12.3034 12.6495 12.6495 k = 0.3333 0.5000-0.0000 ( 9716 PWs) bands (ev): -46.8544 -46.8544 -46.8543 -46.8543 -23.8019 -23.8019 -23.5837 -23.5837 -23.1882 -23.1882 -22.9697 -22.9697 -22.8473 -22.8473 -22.5808 -22.5808 -17.4319 -17.4319 -8.8136 -8.8136 -4.2915 -4.2915 -2.4953 -2.4953 -2.1743 -2.1743 0.2349 0.2349 0.5765 0.5765 3.2611 3.2611 3.5526 3.5526 4.7296 4.7296 6.8715 6.8715 7.0390 7.0390 7.6652 7.6652 7.7330 7.7330 7.8444 7.8444 9.4472 9.4472 10.5295 10.5295 10.6084 10.6084 11.9615 11.9615 12.0277 12.0277 12.3000 12.3000 12.6624 12.6624 k = 0.3462 0.5000-0.0000 ( 9712 PWs) bands (ev): -46.8544 -46.8544 -46.8543 -46.8543 -23.8069 -23.8069 -23.5836 -23.5836 -23.1898 -23.1898 -22.9705 -22.9705 -22.8456 -22.8456 -22.5768 -22.5768 -17.4302 -17.4302 -8.7960 -8.7960 -4.2935 -4.2935 -2.4961 -2.4961 -2.1765 -2.1765 0.2376 0.2376 0.5826 0.5826 3.2434 3.2434 3.4941 3.4941 4.7233 4.7233 6.8739 6.8739 7.0632 7.0632 7.6276 7.6276 7.6968 7.6968 7.8099 7.8099 9.4099 9.4099 10.5287 10.5287 10.5969 10.5969 12.0056 12.0056 12.0394 12.0394 12.2970 12.2970 12.6694 12.6694 k = 0.3590 0.5000-0.0000 ( 9716 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8115 -23.8115 -23.5836 -23.5836 -23.1913 -23.1913 -22.9714 -22.9714 -22.8439 -22.8439 -22.5732 -22.5732 -17.4287 -17.4287 -8.7791 -8.7791 -4.2955 -4.2955 -2.4972 -2.4972 -2.1780 -2.1780 0.2401 0.2401 0.5884 0.5884 3.2266 3.2266 3.4391 3.4391 4.7174 4.7174 6.8782 6.8782 7.0861 7.0861 7.5863 7.5863 7.6665 7.6665 7.7782 7.7782 9.3733 9.3733 10.5281 10.5281 10.5873 10.5873 12.0434 12.0434 12.0558 12.0558 12.2945 12.2945 12.6709 12.6709 k = 0.3718 0.5000-0.0000 ( 9708 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8158 -23.8158 -23.5835 -23.5835 -23.1927 -23.1927 -22.9724 -22.9724 -22.8422 -22.8422 -22.5698 -22.5698 -17.4273 -17.4273 -8.7633 -8.7633 -4.2975 -4.2975 -2.4986 -2.4986 -2.1787 -2.1787 0.2423 0.2423 0.5938 0.5938 3.2110 3.2110 3.3879 3.3879 4.7119 4.7119 6.8846 6.8846 7.1074 7.1074 7.5429 7.5429 7.6410 7.6410 7.7494 7.7494 9.3380 9.3380 10.5278 10.5278 10.5795 10.5795 12.0616 12.0616 12.0894 12.0894 12.2925 12.2925 12.6675 12.6675 k = 0.3846 0.5000-0.0000 ( 9712 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8198 -23.8198 -23.5835 -23.5835 -23.1939 -23.1939 -22.9734 -22.9734 -22.8405 -22.8405 -22.5667 -22.5667 -17.4259 -17.4259 -8.7486 -8.7486 -4.2995 -4.2995 -2.5003 -2.5003 -2.1788 -2.1788 0.2442 0.2442 0.5988 0.5988 3.1965 3.1965 3.3409 3.3409 4.7068 4.7068 6.8931 6.8931 7.1271 7.1271 7.4988 7.4988 7.6188 7.6188 7.7236 7.7236 9.3046 9.3046 10.5276 10.5276 10.5734 10.5734 12.0749 12.0749 12.1249 12.1249 12.2908 12.2908 12.6602 12.6602 k = 0.3974 0.5000-0.0000 ( 9714 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8234 -23.8234 -23.5835 -23.5835 -23.1950 -23.1950 -22.9743 -22.9743 -22.8388 -22.8388 -22.5639 -22.5639 -17.4247 -17.4247 -8.7352 -8.7352 -4.3013 -4.3013 -2.5020 -2.5020 -2.1785 -2.1785 0.2460 0.2460 0.6035 0.6035 3.1833 3.1833 3.2982 3.2982 4.7022 4.7022 6.9036 6.9036 7.1449 7.1449 7.4551 7.4551 7.5993 7.5993 7.7009 7.7009 9.2734 9.2734 10.5275 10.5275 10.5689 10.5689 12.0873 12.0873 12.1575 12.1575 12.2894 12.2894 12.6499 12.6499 k = 0.4103 0.5000-0.0000 ( 9728 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8266 -23.8266 -23.5836 -23.5836 -23.1959 -23.1959 -22.9753 -22.9753 -22.8373 -22.8373 -22.5614 -22.5614 -17.4236 -17.4236 -8.7230 -8.7230 -4.3031 -4.3031 -2.5037 -2.5037 -2.1779 -2.1779 0.2475 0.2475 0.6076 0.6076 3.1714 3.1714 3.2601 3.2601 4.6981 4.6981 6.9162 6.9162 7.1608 7.1608 7.4125 7.4125 7.5821 7.5821 7.6811 7.6811 9.2451 9.2451 10.5273 10.5273 10.5657 10.5657 12.0988 12.0988 12.1868 12.1868 12.2883 12.2883 12.6378 12.6378 k = 0.4231 0.5000-0.0000 ( 9740 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8294 -23.8294 -23.5836 -23.5836 -23.1967 -23.1967 -22.9761 -22.9761 -22.8360 -22.8360 -22.5593 -22.5593 -17.4227 -17.4227 -8.7123 -8.7123 -4.3046 -4.3046 -2.5053 -2.5053 -2.1771 -2.1771 0.2487 0.2487 0.6113 0.6113 3.1609 3.1609 3.2267 3.2267 4.6944 4.6944 6.9306 6.9306 7.1747 7.1747 7.3715 7.3715 7.5669 7.5669 7.6644 7.6644 9.2198 9.2198 10.5271 10.5271 10.5637 10.5637 12.1092 12.1092 12.2126 12.2126 12.2874 12.2874 12.6249 12.6249 k = 0.4359 0.5000-0.0000 ( 9748 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8318 -23.8318 -23.5837 -23.5837 -23.1974 -23.1974 -22.9768 -22.9768 -22.8348 -22.8348 -22.5575 -22.5575 -17.4219 -17.4219 -8.7031 -8.7031 -4.3060 -4.3060 -2.5068 -2.5068 -2.1762 -2.1762 0.2498 0.2498 0.6144 0.6144 3.1518 3.1518 3.1983 3.1983 4.6913 4.6913 6.9465 6.9465 7.1864 7.1864 7.3329 7.3329 7.5539 7.5539 7.6505 7.6505 9.1979 9.1979 10.5269 10.5269 10.5625 10.5625 12.1183 12.1183 12.2347 12.2347 12.2868 12.2868 12.6122 12.6122 k = 0.4487 0.5000-0.0000 ( 9752 PWs) bands (ev): -46.8542 -46.8542 -46.8541 -46.8541 -23.8338 -23.8338 -23.5837 -23.5837 -23.1979 -23.1979 -22.9775 -22.9775 -22.8338 -22.8338 -22.5560 -22.5560 -17.4212 -17.4212 -8.6954 -8.6954 -4.3072 -4.3072 -2.5081 -2.5081 -2.1754 -2.1754 0.2506 0.2506 0.6170 0.6170 3.1441 3.1441 3.1751 3.1751 4.6888 4.6888 6.9634 6.9634 7.1958 7.1958 7.2975 7.2975 7.5431 7.5431 7.6393 7.6393 9.1796 9.1796 10.5267 10.5267 10.5620 10.5620 12.1259 12.1259 12.2530 12.2530 12.2864 12.2864 12.6007 12.6007 k = 0.4615 0.5000-0.0000 ( 9760 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8353 -23.8353 -23.5837 -23.5837 -23.1983 -23.1983 -22.9780 -22.9780 -22.8330 -22.8330 -22.5548 -22.5548 -17.4206 -17.4206 -8.6894 -8.6894 -4.3081 -4.3081 -2.5092 -2.5092 -2.1747 -2.1747 0.2512 0.2512 0.6191 0.6191 3.1377 3.1377 3.1572 3.1572 4.6868 4.6868 6.9802 6.9802 7.2025 7.2025 7.2667 7.2667 7.5346 7.5346 7.6307 7.6307 9.1652 9.1652 10.5266 10.5266 10.5618 10.5618 12.1320 12.1320 12.2672 12.2672 12.2861 12.2861 12.5909 12.5909 k = 0.4744 0.5000-0.0000 ( 9760 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8364 -23.8364 -23.5838 -23.5838 -23.1986 -23.1986 -22.9783 -22.9783 -22.8324 -22.8324 -22.5540 -22.5540 -17.4203 -17.4203 -8.6851 -8.6851 -4.3088 -4.3088 -2.5099 -2.5099 -2.1741 -2.1741 0.2517 0.2517 0.6206 0.6206 3.1323 3.1323 3.1452 3.1452 4.6853 4.6853 6.9955 6.9955 7.2055 7.2055 7.2432 7.2432 7.5284 7.5284 7.6247 7.6247 9.1548 9.1548 10.5265 10.5265 10.5617 10.5617 12.1364 12.1364 12.2773 12.2773 12.2861 12.2861 12.5836 12.5836 k = 0.4872 0.5000-0.0000 ( 9776 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8371 -23.8371 -23.5838 -23.5838 -23.1988 -23.1988 -22.9785 -22.9785 -22.8321 -22.8321 -22.5535 -22.5535 -17.4200 -17.4200 -8.6825 -8.6825 -4.3092 -4.3092 -2.5104 -2.5104 -2.1737 -2.1737 0.2520 0.2520 0.6214 0.6214 3.1281 3.1281 3.1390 3.1390 4.6845 4.6845 7.0067 7.0067 7.2037 7.2037 7.2307 7.2307 7.5247 7.5247 7.6212 7.6212 9.1485 9.1485 10.5264 10.5264 10.5618 10.5618 12.1391 12.1391 12.2828 12.2828 12.2867 12.2867 12.5790 12.5790 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6816 -8.6816 -4.3093 -4.3093 -2.5106 -2.5106 -2.1736 -2.1736 0.2520 0.2520 0.6217 0.6217 3.1264 3.1264 3.1372 3.1372 4.6842 4.6842 7.0109 7.0109 7.2013 7.2013 7.2278 7.2278 7.5234 7.5234 7.6200 7.6200 9.1464 9.1464 10.5264 10.5264 10.5618 10.5618 12.1400 12.1400 12.2839 12.2839 12.2876 12.2876 12.5775 12.5775 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6816 -8.6816 -4.3093 -4.3093 -2.5106 -2.5106 -2.1736 -2.1736 0.2520 0.2520 0.6217 0.6217 3.1264 3.1264 3.1372 3.1372 4.6842 4.6842 7.0109 7.0109 7.2013 7.2013 7.2278 7.2278 7.5234 7.5234 7.6200 7.6200 9.1464 9.1464 10.5264 10.5264 10.5618 10.5618 12.1400 12.1400 12.2839 12.2839 12.2876 12.2876 12.5775 12.5775 k = 0.4909 0.4909-0.0000 ( 9772 PWs) bands (ev): -46.8542 -46.8542 -46.8541 -46.8541 -23.8371 -23.8371 -23.5838 -23.5838 -23.1988 -23.1988 -22.9785 -22.9785 -22.8321 -22.8321 -22.5535 -22.5535 -17.4200 -17.4200 -8.6825 -8.6825 -4.3092 -4.3092 -2.5104 -2.5104 -2.1737 -2.1737 0.2520 0.2520 0.6214 0.6214 3.1282 3.1282 3.1389 3.1389 4.6845 4.6845 7.0066 7.0066 7.2042 7.2042 7.2303 7.2303 7.5247 7.5247 7.6212 7.6212 9.1485 9.1485 10.5264 10.5264 10.5618 10.5618 12.1391 12.1391 12.2830 12.2830 12.2864 12.2864 12.5790 12.5790 k = 0.4818 0.4818-0.0000 ( 9760 PWs) bands (ev): -46.8543 -46.8543 -46.8540 -46.8540 -23.8364 -23.8364 -23.5838 -23.5838 -23.1986 -23.1986 -22.9783 -22.9783 -22.8324 -22.8324 -22.5540 -22.5540 -17.4203 -17.4203 -8.6851 -8.6851 -4.3088 -4.3088 -2.5099 -2.5099 -2.1741 -2.1741 0.2517 0.2517 0.6206 0.6206 3.1335 3.1335 3.1442 3.1442 4.6853 4.6853 6.9948 6.9948 7.2112 7.2112 7.2382 7.2382 7.5284 7.5284 7.6248 7.6248 9.1549 9.1549 10.5257 10.5257 10.5626 10.5626 12.1364 12.1364 12.2804 12.2804 12.2829 12.2829 12.5835 12.5835 k = 0.4727 0.4727-0.0000 ( 9764 PWs) bands (ev): -46.8545 -46.8545 -46.8537 -46.8537 -23.8353 -23.8353 -23.5837 -23.5837 -23.1983 -23.1983 -22.9780 -22.9780 -22.8330 -22.8330 -22.5548 -22.5548 -17.4207 -17.4207 -8.6895 -8.6895 -4.3081 -4.3081 -2.5091 -2.5091 -2.1747 -2.1747 0.2512 0.2512 0.6191 0.6191 3.1420 3.1420 3.1532 3.1532 4.6868 4.6868 6.9778 6.9778 7.2201 7.2201 7.2516 7.2516 7.5343 7.5343 7.6310 7.6310 9.1655 9.1655 10.5228 10.5228 10.5656 10.5656 12.1318 12.1318 12.2761 12.2761 12.2772 12.2772 12.5906 12.5906 k = 0.4636 0.4636-0.0000 ( 9758 PWs) bands (ev): -46.8548 -46.8548 -46.8535 -46.8535 -23.8338 -23.8338 -23.5837 -23.5837 -23.1979 -23.1979 -22.9774 -22.9774 -22.8338 -22.8338 -22.5559 -22.5559 -17.4212 -17.4212 -8.6956 -8.6956 -4.3071 -4.3071 -2.5080 -2.5080 -2.1756 -2.1756 0.2505 0.2505 0.6171 0.6171 3.1538 3.1538 3.1659 3.1659 4.6889 4.6889 6.9578 6.9578 7.2301 7.2301 7.2691 7.2691 7.5422 7.5422 7.6399 7.6399 9.1803 9.1803 10.5167 10.5167 10.5722 10.5722 12.1255 12.1255 12.2688 12.2688 12.2707 12.2707 12.5995 12.5995 k = 0.4545 0.4545-0.0000 ( 9742 PWs) bands (ev): -46.8552 -46.8552 -46.8531 -46.8531 -23.8318 -23.8318 -23.5836 -23.5836 -23.1974 -23.1974 -22.9768 -22.9768 -22.8348 -22.8348 -22.5574 -22.5574 -17.4219 -17.4219 -8.7034 -8.7034 -4.3058 -4.3058 -2.5064 -2.5064 -2.1767 -2.1767 0.2495 0.2495 0.6146 0.6146 3.1684 3.1684 3.1825 3.1825 4.6917 4.6917 6.9362 6.9362 7.2415 7.2415 7.2887 7.2887 7.5515 7.5515 7.6517 7.6517 9.1993 9.1993 10.5073 10.5073 10.5825 10.5825 12.1172 12.1172 12.2584 12.2584 12.2636 12.2636 12.6092 12.6092 k = 0.4455 0.4455-0.0000 ( 9738 PWs) bands (ev): -46.8557 -46.8557 -46.8526 -46.8526 -23.8294 -23.8294 -23.5836 -23.5836 -23.1967 -23.1967 -22.9761 -22.9761 -22.8360 -22.8360 -22.5592 -22.5592 -17.4227 -17.4227 -8.7129 -8.7129 -4.3043 -4.3043 -2.5046 -2.5046 -2.1780 -2.1780 0.2481 0.2481 0.6116 0.6116 3.1860 3.1860 3.2031 3.2031 4.6951 4.6951 6.9141 6.9141 7.2548 7.2548 7.3089 7.3089 7.5620 7.5620 7.6667 7.6667 9.2225 9.2225 10.4953 10.4953 10.5963 10.5963 12.1071 12.1071 12.2456 12.2456 12.2556 12.2556 12.6182 12.6182 k = 0.4364 0.4364-0.0000 ( 9728 PWs) bands (ev): -46.8563 -46.8563 -46.8521 -46.8521 -23.8267 -23.8267 -23.5835 -23.5835 -23.1959 -23.1959 -22.9752 -22.9752 -22.8374 -22.8374 -22.5612 -22.5612 -17.4237 -17.4237 -8.7239 -8.7239 -4.3025 -4.3025 -2.5024 -2.5024 -2.1796 -2.1796 0.2463 0.2463 0.6083 0.6083 3.2064 3.2064 3.2274 3.2274 4.6993 4.6993 6.8924 6.8924 7.2700 7.2700 7.3289 7.3289 7.5733 7.5733 7.6849 7.6849 9.2499 9.2499 10.4812 10.4812 10.6132 10.6132 12.0952 12.0952 12.2305 12.2305 12.2466 12.2466 12.6246 12.6246 k = 0.4273 0.4273-0.0000 ( 9728 PWs) bands (ev): -46.8569 -46.8569 -46.8515 -46.8515 -23.8235 -23.8235 -23.5835 -23.5835 -23.1950 -23.1950 -22.9743 -22.9743 -22.8390 -22.8390 -22.5635 -22.5635 -17.4249 -17.4249 -8.7366 -8.7366 -4.3004 -4.3004 -2.4997 -2.4997 -2.1813 -2.1813 0.2441 0.2441 0.6046 0.6046 3.2296 3.2296 3.2554 3.2554 4.7043 4.7043 6.8715 6.8715 7.2875 7.2875 7.3479 7.3479 7.5850 7.5850 7.7064 7.7064 9.2815 9.2815 10.4656 10.4656 10.6329 10.6329 12.0815 12.0815 12.2131 12.2131 12.2370 12.2370 12.6263 12.6263 k = 0.4182 0.4182-0.0000 ( 9726 PWs) bands (ev): -46.8577 -46.8577 -46.8508 -46.8508 -23.8200 -23.8200 -23.5834 -23.5834 -23.1939 -23.1939 -22.9733 -22.9733 -22.8407 -22.8407 -22.5661 -22.5661 -17.4261 -17.4261 -8.7509 -8.7509 -4.2981 -4.2981 -2.4967 -2.4967 -2.1833 -2.1833 0.2413 0.2413 0.6007 0.6007 3.2557 3.2557 3.2869 3.2869 4.7101 4.7101 6.8519 6.8519 7.3070 7.3070 7.3656 7.3656 7.5970 7.5970 7.7309 7.7309 9.3171 9.3171 10.4488 10.4488 10.6554 10.6554 12.0663 12.0663 12.1934 12.1934 12.2269 12.2269 12.6210 12.6210 k = 0.4091 0.4091-0.0000 ( 9718 PWs) bands (ev): -46.8585 -46.8585 -46.8501 -46.8501 -23.8162 -23.8162 -23.5834 -23.5834 -23.1927 -23.1927 -22.9723 -22.9723 -22.8424 -22.8424 -22.5688 -22.5688 -17.4276 -17.4276 -8.7666 -8.7666 -4.2954 -4.2954 -2.4933 -2.4933 -2.1854 -2.1854 0.2378 0.2378 0.5967 0.5967 3.2845 3.2845 3.3218 3.3218 4.7168 4.7168 6.8337 6.8337 7.3287 7.3287 7.3816 7.3816 7.6093 7.6093 7.7582 7.7582 9.3567 9.3567 10.4312 10.4312 10.6805 10.6805 12.0495 12.0495 12.1714 12.1714 12.2164 12.2164 12.6068 12.6068 k = 0.4000 0.4000-0.0000 ( 9706 PWs) bands (ev): -46.8594 -46.8594 -46.8492 -46.8492 -23.8121 -23.8121 -23.5833 -23.5833 -23.1914 -23.1914 -22.9713 -22.9713 -22.8443 -22.8443 -22.5718 -22.5718 -17.4291 -17.4291 -8.7837 -8.7837 -4.2925 -4.2925 -2.4894 -2.4894 -2.1877 -2.1877 0.2336 0.2336 0.5926 0.5926 3.3162 3.3162 3.3599 3.3599 4.7244 4.7244 6.8173 6.8173 7.3524 7.3524 7.3957 7.3957 7.6218 7.6218 7.7880 7.7880 9.4003 9.4003 10.4131 10.4131 10.7082 10.7082 12.0316 12.0316 12.1472 12.1472 12.2056 12.2056 12.5825 12.5825 k = 0.3909 0.3909-0.0000 ( 9708 PWs) bands (ev): -46.8603 -46.8603 -46.8484 -46.8484 -23.8077 -23.8077 -23.5833 -23.5833 -23.1900 -23.1900 -22.9703 -22.9703 -22.8462 -22.8462 -22.5749 -22.5749 -17.4308 -17.4308 -8.8022 -8.8022 -4.2894 -4.2894 -2.4851 -2.4851 -2.1901 -2.1901 0.2285 0.2285 0.5885 0.5885 3.3505 3.3505 3.4010 3.4010 4.7330 4.7330 6.8027 6.8027 7.3778 7.3778 7.4080 7.4080 7.6346 7.6346 7.8199 7.8199 9.4475 9.4475 10.3947 10.3947 10.7383 10.7383 12.0128 12.0128 12.1208 12.1208 12.1946 12.1946 12.5479 12.5479 k = 0.3818 0.3818-0.0000 ( 9706 PWs) bands (ev): -46.8613 -46.8613 -46.8474 -46.8474 -23.8030 -23.8030 -23.5833 -23.5833 -23.1885 -23.1885 -22.9695 -22.9695 -22.8480 -22.8480 -22.5782 -22.5782 -17.4326 -17.4326 -8.8220 -8.8220 -4.2859 -4.2859 -2.4803 -2.4803 -2.1927 -2.1927 0.2225 0.2225 0.5845 0.5845 3.3874 3.3874 3.4450 3.4450 4.7427 4.7427 6.7902 6.7902 7.4031 7.4031 7.4205 7.4205 7.6476 7.6476 7.8536 7.8536 9.4984 9.4984 10.3763 10.3763 10.7707 10.7707 11.9934 11.9934 12.0922 12.0922 12.1834 12.1834 12.5038 12.5038 k = 0.3727 0.3727-0.0000 ( 9706 PWs) bands (ev): -46.8624 -46.8624 -46.8464 -46.8464 -23.7981 -23.7981 -23.5833 -23.5833 -23.1868 -23.1868 -22.9688 -22.9688 -22.8497 -22.8497 -22.5816 -22.5816 -17.4345 -17.4345 -8.8430 -8.8430 -4.2822 -4.2822 -2.4750 -2.4750 -2.1954 -2.1954 0.2155 0.2155 0.5808 0.5808 3.4269 3.4269 3.4917 3.4917 4.7534 4.7534 6.7796 6.7796 7.4188 7.4188 7.4424 7.4424 7.6610 7.6610 7.8888 7.8888 9.5525 9.5525 10.3578 10.3578 10.8055 10.8055 11.9736 11.9736 12.0615 12.0615 12.1720 12.1720 12.4511 12.4511 k = 0.3636 0.3636-0.0000 ( 9706 PWs) bands (ev): -46.8636 -46.8636 -46.8453 -46.8453 -23.7931 -23.7931 -23.5833 -23.5833 -23.1850 -23.1850 -22.9683 -22.9683 -22.8513 -22.8513 -22.5850 -22.5850 -17.4365 -17.4365 -8.8652 -8.8652 -4.2782 -4.2782 -2.4693 -2.4693 -2.1982 -2.1982 0.2074 0.2074 0.5773 0.5773 3.4689 3.4689 3.5409 3.5409 4.7652 4.7652 6.7709 6.7709 7.4254 7.4254 7.4732 7.4732 7.6745 7.6745 7.9251 7.9251 9.6097 9.6097 10.3393 10.3393 10.8424 10.8424 11.9539 11.9539 12.0289 12.0289 12.1604 12.1604 12.3912 12.3912 k = 0.3545 0.3545-0.0000 ( 9716 PWs) bands (ev): -46.8648 -46.8648 -46.8442 -46.8442 -23.7879 -23.7879 -23.5833 -23.5833 -23.1831 -23.1831 -22.9681 -22.9681 -22.8526 -22.8526 -22.5885 -22.5885 -17.4386 -17.4386 -8.8884 -8.8884 -4.2740 -4.2740 -2.4630 -2.4630 -2.2010 -2.2010 0.1981 0.1981 0.5743 0.5743 3.5132 3.5132 3.5924 3.5924 4.7782 4.7782 6.7640 6.7640 7.4289 7.4289 7.5075 7.5075 7.6884 7.6884 7.9623 7.9623 9.6695 9.6695 10.3209 10.3209 10.8814 10.8814 11.9343 11.9343 11.9945 11.9945 12.1487 12.1487 12.3252 12.3252 k = 0.3455 0.3455-0.0000 ( 9720 PWs) bands (ev): -46.8660 -46.8660 -46.8430 -46.8430 -23.7826 -23.7826 -23.5834 -23.5834 -23.1810 -23.1810 -22.9682 -22.9682 -22.8536 -22.8536 -22.5921 -22.5921 -17.4409 -17.4409 -8.9126 -8.9126 -4.2695 -4.2695 -2.4562 -2.4562 -2.2039 -2.2039 0.1876 0.1876 0.5717 0.5717 3.5598 3.5598 3.6460 3.6460 4.7923 4.7923 6.7586 6.7586 7.4305 7.4305 7.5441 7.5441 7.7024 7.7024 8.0001 8.0001 9.7316 9.7316 10.3024 10.3024 10.9223 10.9223 11.9152 11.9152 11.9588 11.9588 12.1368 12.1368 12.2543 12.2543 k = 0.3364 0.3364-0.0000 ( 9722 PWs) bands (ev): -46.8674 -46.8674 -46.8418 -46.8418 -23.7772 -23.7772 -23.5834 -23.5834 -23.1789 -23.1789 -22.9688 -22.9688 -22.8542 -22.8542 -22.5956 -22.5956 -17.4432 -17.4432 -8.9377 -8.9377 -4.2648 -4.2648 -2.4489 -2.4489 -2.2067 -2.2067 0.1758 0.1758 0.5697 0.5697 3.6086 3.6086 3.7014 3.7014 4.8076 4.8076 6.7543 6.7543 7.4310 7.4310 7.5828 7.5828 7.7166 7.7166 8.0381 8.0381 9.7955 9.7955 10.2837 10.2837 10.9650 10.9650 11.8960 11.8960 11.9226 11.9226 12.1245 12.1245 12.1795 12.1795 k = 0.3273 0.3273-0.0000 ( 9708 PWs) bands (ev): -46.8687 -46.8687 -46.8405 -46.8405 -23.7718 -23.7718 -23.5835 -23.5835 -23.1766 -23.1766 -22.9698 -22.9698 -22.8544 -22.8544 -22.5991 -22.5991 -17.4456 -17.4456 -8.9637 -8.9637 -4.2599 -4.2599 -2.4412 -2.4412 -2.2096 -2.2096 0.1626 0.1626 0.5682 0.5682 3.6594 3.6594 3.7585 3.7585 4.8242 4.8242 6.7506 6.7506 7.4311 7.4311 7.6237 7.6237 7.7308 7.7308 8.0762 8.0762 9.8606 9.8606 10.2645 10.2645 11.0093 11.0093 11.8726 11.8726 11.8908 11.8908 12.0970 12.0970 12.1166 12.1166 k = 0.3182 0.3182-0.0000 ( 9704 PWs) bands (ev): -46.8701 -46.8701 -46.8392 -46.8392 -23.7664 -23.7664 -23.5837 -23.5837 -23.1743 -23.1743 -22.9713 -22.9713 -22.8540 -22.8540 -22.6026 -22.6026 -17.4481 -17.4481 -8.9903 -8.9903 -4.2547 -4.2547 -2.4329 -2.4329 -2.2123 -2.2123 0.1480 0.1480 0.5675 0.5675 3.7122 3.7122 3.8171 3.8171 4.8419 4.8419 6.7468 6.7468 7.4318 7.4318 7.6665 7.6665 7.7452 7.7452 8.1141 8.1141 9.9263 9.9263 10.2446 10.2446 11.0550 11.0550 11.8381 11.8381 11.8708 11.8708 12.0181 12.0181 12.1025 12.1025 k = 0.3091 0.3091-0.0000 ( 9698 PWs) bands (ev): -46.8716 -46.8716 -46.8378 -46.8378 -23.7611 -23.7611 -23.5838 -23.5838 -23.1718 -23.1718 -22.9733 -22.9733 -22.8532 -22.8532 -22.6060 -22.6060 -17.4506 -17.4506 -9.0175 -9.0175 -4.2493 -4.2493 -2.4242 -2.4242 -2.2148 -2.2148 0.1321 0.1321 0.5674 0.5674 3.7668 3.7668 3.8768 3.8768 4.8609 4.8609 6.7420 6.7420 7.4342 7.4342 7.7111 7.7111 7.7597 7.7597 8.1514 8.1514 9.9918 9.9918 10.2238 10.2238 11.1020 11.1020 11.7994 11.7994 11.8564 11.8564 11.9350 11.9350 12.0906 12.0906 k = 0.3000 0.3000-0.0000 ( 9697 PWs) bands (ev): -46.8730 -46.8730 -46.8365 -46.8365 -23.7558 -23.7558 -23.5839 -23.5839 -23.1693 -23.1693 -22.9758 -22.9758 -22.8518 -22.8518 -22.6092 -22.6092 -17.4533 -17.4533 -9.0453 -9.0453 -4.2438 -4.2438 -2.4151 -2.4151 -2.2172 -2.2172 0.1147 0.1147 0.5682 0.5682 3.8231 3.8231 3.9375 3.9375 4.8811 4.8811 6.7354 6.7354 7.4394 7.4394 7.7565 7.7565 7.7752 7.7752 8.1880 8.1880 10.0562 10.0562 10.2019 10.2019 11.1499 11.1499 11.7601 11.7601 11.8445 11.8445 11.8505 11.8505 12.0791 12.0791 k = 0.2909 0.2909-0.0000 ( 9693 PWs) bands (ev): -46.8745 -46.8745 -46.8350 -46.8350 -23.7506 -23.7506 -23.5841 -23.5841 -23.1667 -23.1667 -22.9788 -22.9788 -22.8498 -22.8498 -22.6123 -22.6123 -17.4559 -17.4559 -9.0735 -9.0735 -4.2380 -4.2380 -2.4056 -2.4056 -2.2192 -2.2192 0.0959 0.0959 0.5696 0.5696 3.8810 3.8810 3.9989 3.9989 4.9025 4.9025 6.7261 6.7261 7.4487 7.4487 7.7850 7.7850 7.8091 7.8091 8.2236 8.2236 10.1185 10.1185 10.1788 10.1788 11.1986 11.1986 11.7199 11.7199 11.7668 11.7668 11.8349 11.8349 12.0681 12.0681 k = 0.2818 0.2818-0.0000 ( 9709 PWs) bands (ev): -46.8760 -46.8760 -46.8336 -46.8336 -23.7456 -23.7456 -23.5842 -23.5842 -23.1641 -23.1641 -22.9822 -22.9822 -22.8474 -22.8474 -22.6153 -22.6153 -17.4586 -17.4586 -9.1021 -9.1021 -4.2321 -4.2321 -2.3959 -2.3959 -2.2209 -2.2209 0.0757 0.0757 0.5719 0.5719 3.9402 3.9402 4.0609 4.0609 4.9252 4.9252 6.7132 6.7132 7.4631 7.4631 7.7995 7.7995 7.8587 7.8587 8.2579 8.2579 10.1514 10.1514 10.1808 10.1808 11.2476 11.2476 11.6654 11.6654 11.6985 11.6985 11.8275 11.8275 12.0576 12.0576 k = 0.2727 0.2727-0.0000 ( 9725 PWs) bands (ev): -46.8776 -46.8776 -46.8322 -46.8322 -23.7408 -23.7408 -23.5843 -23.5843 -23.1614 -23.1614 -22.9860 -22.9860 -22.8446 -22.8446 -22.6181 -22.6181 -17.4614 -17.4614 -9.1309 -9.1309 -4.2261 -4.2261 -2.3860 -2.3860 -2.2220 -2.2220 0.0541 0.0541 0.5750 0.5750 4.0007 4.0007 4.1232 4.1232 4.9490 4.9490 6.6960 6.6960 7.4836 7.4836 7.8129 7.8129 7.9108 7.9108 8.2906 8.2906 10.1257 10.1257 10.2359 10.2359 11.2967 11.2967 11.5840 11.5840 11.6597 11.6597 11.8223 11.8223 12.0479 12.0479 k = 0.2636 0.2636-0.0000 ( 9725 PWs) bands (ev): -46.8791 -46.8791 -46.8307 -46.8307 -23.7363 -23.7363 -23.5844 -23.5844 -23.1587 -23.1587 -22.9901 -22.9901 -22.8414 -22.8414 -22.6207 -22.6207 -17.4642 -17.4642 -9.1599 -9.1599 -4.2199 -4.2199 -2.3760 -2.3760 -2.2224 -2.2224 0.0311 0.0311 0.5788 0.5788 4.0623 4.0623 4.1856 4.1856 4.9740 4.9740 6.6744 6.6744 7.5108 7.5108 7.8256 7.8256 7.9649 7.9649 8.3213 8.3213 10.0971 10.0971 10.2873 10.2873 11.3452 11.3452 11.4984 11.4984 11.6293 11.6293 11.8192 11.8192 12.0392 12.0392 k = 0.2545 0.2545-0.0000 ( 9725 PWs) bands (ev): -46.8807 -46.8807 -46.8293 -46.8293 -23.7320 -23.7320 -23.5845 -23.5845 -23.1560 -23.1560 -22.9944 -22.9944 -22.8378 -22.8378 -22.6230 -22.6230 -17.4670 -17.4670 -9.1889 -9.1889 -4.2136 -4.2136 -2.3661 -2.3661 -2.2220 -2.2220 0.0069 0.0069 0.5835 0.5835 4.1248 4.1248 4.2479 4.2479 5.0002 5.0002 6.6481 6.6481 7.5450 7.5450 7.8377 7.8377 8.0207 8.0207 8.3499 8.3499 10.0665 10.0665 10.3335 10.3335 11.3893 11.3893 11.4160 11.4160 11.6041 11.6041 11.8180 11.8180 12.0319 12.0319 k = 0.2455 0.2455-0.0000 ( 9729 PWs) bands (ev): -46.8822 -46.8822 -46.8278 -46.8278 -23.7280 -23.7280 -23.5845 -23.5845 -23.1533 -23.1533 -22.9989 -22.9989 -22.8340 -22.8340 -22.6252 -22.6252 -17.4697 -17.4697 -9.2179 -9.2179 -4.2073 -4.2073 -2.3566 -2.3566 -2.2204 -2.2204 -0.0185 -0.0185 0.5889 0.5889 4.1880 4.1880 4.3100 4.3100 5.0275 5.0275 6.6173 6.6173 7.5862 7.5862 7.8491 7.8491 8.0781 8.0781 8.3758 8.3758 10.0342 10.0342 10.3736 10.3736 11.3250 11.3250 11.4413 11.4413 11.5842 11.5842 11.8184 11.8184 12.0265 12.0265 k = 0.2364 0.2364-0.0000 ( 9721 PWs) bands (ev): -46.8838 -46.8838 -46.8263 -46.8263 -23.7243 -23.7243 -23.5845 -23.5845 -23.1507 -23.1507 -23.0035 -23.0035 -22.8299 -22.8299 -22.6270 -22.6270 -17.4725 -17.4725 -9.2468 -9.2468 -4.2009 -4.2009 -2.3476 -2.3476 -2.2176 -2.2176 -0.0451 -0.0451 0.5950 0.5950 4.2518 4.2518 4.3716 4.3716 5.0559 5.0559 6.5826 6.5826 7.6341 7.6341 7.8599 7.8599 8.1370 8.1370 8.3990 8.3990 10.0001 10.0001 10.4075 10.4075 11.2410 11.2410 11.4853 11.4853 11.5700 11.5700 11.8200 11.8200 12.0237 12.0237 k = 0.2273 0.2273-0.0000 ( 9719 PWs) bands (ev): -46.8853 -46.8853 -46.8249 -46.8249 -23.7209 -23.7209 -23.5845 -23.5845 -23.1481 -23.1481 -23.0081 -23.0081 -22.8258 -22.8258 -22.6286 -22.6286 -17.4753 -17.4753 -9.2754 -9.2754 -4.1945 -4.1945 -2.3394 -2.3394 -2.2132 -2.2132 -0.0728 -0.0728 0.6018 0.6018 4.3160 4.3160 4.4326 4.4326 5.0854 5.0854 6.5443 6.5443 7.6885 7.6885 7.8699 7.8699 8.1971 8.1971 8.4190 8.4190 9.9646 9.9646 10.4353 10.4353 11.1581 11.1581 11.5269 11.5269 11.5616 11.5616 11.8220 11.8220 12.0242 12.0242 k = 0.2182 0.2182-0.0000 ( 9713 PWs) bands (ev): -46.8868 -46.8868 -46.8234 -46.8234 -23.7179 -23.7179 -23.5843 -23.5843 -23.1457 -23.1457 -23.0127 -23.0127 -22.8216 -22.8216 -22.6298 -22.6298 -17.4781 -17.4781 -9.3038 -9.3038 -4.1881 -4.1881 -2.3321 -2.3321 -2.2071 -2.2071 -0.1015 -0.1015 0.6092 0.6092 4.3804 4.3804 4.4927 4.4927 5.1158 5.1158 6.5031 6.5031 7.7488 7.7488 7.8792 7.8792 8.2581 8.2581 8.4361 8.4361 9.9278 9.9278 10.4574 10.4574 11.0770 11.0770 11.5578 11.5578 11.5656 11.5656 11.8237 11.8237 12.0288 12.0288 k = 0.2091 0.2091-0.0000 ( 9705 PWs) bands (ev): -46.8884 -46.8884 -46.8220 -46.8220 -23.7153 -23.7153 -23.5841 -23.5841 -23.1433 -23.1433 -23.0172 -23.0172 -22.8173 -22.8173 -22.6307 -22.6307 -17.4808 -17.4808 -9.3317 -9.3317 -4.1818 -4.1818 -2.3259 -2.3259 -2.1992 -2.1992 -0.1311 -0.1311 0.6172 0.6172 4.4447 4.4447 4.5520 4.5520 5.1473 5.1473 6.4595 6.4595 7.8145 7.8145 7.8877 7.8877 8.3186 8.3186 8.4510 8.4510 9.8901 9.8901 10.4749 10.4749 10.9979 10.9979 11.5598 11.5598 11.5987 11.5987 11.8245 11.8245 12.0384 12.0384 k = 0.2000 0.2000-0.0000 ( 9711 PWs) bands (ev): -46.8898 -46.8898 -46.8206 -46.8206 -23.7130 -23.7130 -23.5838 -23.5838 -23.1411 -23.1411 -23.0216 -23.0216 -22.8131 -22.8131 -22.6313 -22.6313 -17.4835 -17.4835 -9.3592 -9.3592 -4.1755 -4.1755 -2.3208 -2.3208 -2.1894 -2.1894 -0.1615 -0.1615 0.6257 0.6257 4.5088 4.5088 4.6102 4.6102 5.1796 5.1796 6.4141 6.4141 7.8849 7.8849 7.8955 7.8955 8.3745 8.3745 8.4675 8.4675 9.8517 9.8517 10.4889 10.4889 10.9211 10.9211 11.5653 11.5653 11.6263 11.6263 11.8238 11.8238 12.0534 12.0534 k = 0.1909 0.1909-0.0000 ( 9711 PWs) bands (ev): -46.8913 -46.8913 -46.8192 -46.8192 -23.7111 -23.7111 -23.5834 -23.5834 -23.1391 -23.1391 -23.0257 -23.0257 -22.8091 -22.8091 -22.6316 -22.6316 -17.4862 -17.4862 -9.3861 -9.3861 -4.1693 -4.1693 -2.3167 -2.3167 -2.1779 -2.1779 -0.1925 -0.1925 0.6346 0.6346 4.5725 4.5725 4.6672 4.6672 5.2127 5.2127 6.3674 6.3674 7.9021 7.9021 7.9598 7.9598 8.4130 8.4130 8.4982 8.4982 9.8131 9.8131 10.5006 10.5006 10.8470 10.8470 11.5739 11.5739 11.6470 11.6470 11.8216 11.8216 12.0740 12.0740 k = 0.1818 0.1818-0.0000 ( 9709 PWs) bands (ev): -46.8927 -46.8927 -46.8178 -46.8178 -23.7096 -23.7096 -23.5829 -23.5829 -23.1373 -23.1373 -23.0296 -23.0296 -22.8051 -22.8051 -22.6315 -22.6315 -17.4888 -17.4888 -9.4123 -9.4123 -4.1632 -4.1632 -2.3133 -2.3133 -2.1649 -2.1649 -0.2241 -0.2241 0.6440 0.6440 4.6356 4.6356 4.7229 4.7229 5.2466 5.2466 6.3200 6.3200 7.9082 7.9082 8.0380 8.0380 8.4254 8.4254 8.5516 8.5516 9.7745 9.7745 10.5112 10.5112 10.7759 10.7759 11.5845 11.5845 11.6594 11.6594 11.8178 11.8178 12.1001 12.1001 k = 0.1727 0.1727-0.0000 ( 9715 PWs) bands (ev): -46.8941 -46.8941 -46.8165 -46.8165 -23.7084 -23.7084 -23.5824 -23.5824 -23.1357 -23.1357 -23.0331 -23.0331 -22.8014 -22.8014 -22.6311 -22.6311 -17.4913 -17.4913 -9.4379 -9.4379 -4.1573 -4.1573 -2.3106 -2.3106 -2.1507 -2.1507 -0.2561 -0.2561 0.6535 0.6535 4.6977 4.6977 4.7772 4.7772 5.2811 5.2811 6.2721 6.2721 7.9134 7.9134 8.1191 8.1191 8.4230 8.4230 8.6164 8.6164 9.7365 9.7365 10.5214 10.5214 10.7085 10.7085 11.5964 11.5964 11.6622 11.6622 11.8128 11.8128 12.1313 12.1313 k = 0.1636 0.1636-0.0000 ( 9733 PWs) bands (ev): -46.8955 -46.8955 -46.8152 -46.8152 -23.7075 -23.7075 -23.5818 -23.5818 -23.1344 -23.1344 -23.0364 -23.0364 -22.7978 -22.7978 -22.6304 -22.6304 -17.4938 -17.4938 -9.4626 -9.4626 -4.1515 -4.1515 -2.3084 -2.3084 -2.1354 -2.1354 -0.2884 -0.2884 0.6633 0.6633 4.7587 4.7587 4.8300 4.8300 5.3162 5.3162 6.2243 6.2243 7.9179 7.9179 8.2020 8.2020 8.4128 8.4128 8.6859 8.6859 9.6994 9.6994 10.5303 10.5303 10.6468 10.6468 11.6086 11.6086 11.6543 11.6543 11.8069 11.8069 12.1674 12.1674 k = 0.1545 0.1545-0.0000 ( 9727 PWs) bands (ev): -46.8968 -46.8968 -46.8140 -46.8140 -23.7070 -23.7070 -23.5811 -23.5811 -23.1334 -23.1334 -23.0392 -23.0392 -22.7946 -22.7946 -22.6293 -22.6293 -17.4962 -17.4962 -9.4864 -9.4864 -4.1460 -4.1460 -2.3065 -2.3065 -2.1193 -2.1193 -0.3208 -0.3208 0.6732 0.6732 4.8184 4.8184 4.8811 4.8811 5.3516 5.3516 6.1769 6.1769 7.9216 7.9216 8.2846 8.2846 8.3985 8.3985 8.7579 8.7579 9.6637 9.6637 10.5290 10.5290 10.6007 10.6007 11.6185 11.6185 11.6372 11.6372 11.8004 11.8004 12.2078 12.2078 k = 0.1455 0.1455-0.0000 ( 9713 PWs) bands (ev): -46.8980 -46.8980 -46.8128 -46.8128 -23.7067 -23.7067 -23.5804 -23.5804 -23.1326 -23.1326 -23.0417 -23.0417 -22.7916 -22.7916 -22.6279 -22.6279 -17.4985 -17.4985 -9.5093 -9.5093 -4.1407 -4.1407 -2.3048 -2.3048 -2.1025 -2.1025 -0.3531 -0.3531 0.6832 0.6832 4.8764 4.8764 4.9305 4.9305 5.3873 5.3873 6.1302 6.1302 7.9246 7.9246 8.3487 8.3487 8.3984 8.3984 8.8317 8.8317 9.6300 9.6300 10.4957 10.4957 10.5925 10.5925 11.5995 11.5995 11.6366 11.6366 11.7935 11.7935 12.2521 12.2521 k = 0.1364 0.1364-0.0000 ( 9721 PWs) bands (ev): -46.8992 -46.8992 -46.8117 -46.8117 -23.7066 -23.7066 -23.5796 -23.5796 -23.1321 -23.1321 -23.0438 -23.0438 -22.7888 -22.7888 -22.6263 -22.6263 -17.5007 -17.5007 -9.5311 -9.5311 -4.1356 -4.1356 -2.3033 -2.3033 -2.0853 -2.0853 -0.3852 -0.3852 0.6931 0.6931 4.9326 4.9326 4.9781 4.9781 5.4232 5.4232 6.0846 6.0846 7.9270 7.9270 8.3396 8.3396 8.4671 8.4671 8.9069 8.9069 9.5990 9.5990 10.4456 10.4456 10.6073 10.6073 11.5571 11.5571 11.6473 11.6473 11.7866 11.7866 12.2999 12.2999 k = 0.1273 0.1273-0.0000 ( 9721 PWs) bands (ev): -46.9004 -46.9004 -46.8106 -46.8106 -23.7068 -23.7068 -23.5788 -23.5788 -23.1318 -23.1318 -23.0456 -23.0456 -22.7864 -22.7864 -22.6245 -22.6245 -17.5028 -17.5028 -9.5519 -9.5519 -4.1307 -4.1307 -2.3018 -2.3018 -2.0678 -2.0678 -0.4169 -0.4169 0.7028 0.7028 4.9867 4.9867 5.0238 5.0238 5.4589 5.4589 6.0402 6.0402 7.9287 7.9287 8.3123 8.3123 8.5492 8.5492 8.9832 8.9832 9.5714 9.5714 10.3944 10.3944 10.6296 10.6296 11.5034 11.5034 11.6579 11.6579 11.7796 11.7796 12.3504 12.3504 k = 0.1182 0.1182-0.0000 ( 9733 PWs) bands (ev): -46.9015 -46.9015 -46.8096 -46.8096 -23.7072 -23.7072 -23.5781 -23.5781 -23.1318 -23.1318 -23.0469 -23.0469 -22.7842 -22.7842 -22.6225 -22.6225 -17.5048 -17.5048 -9.5715 -9.5715 -4.1262 -4.1262 -2.3003 -2.3003 -2.0503 -2.0503 -0.4480 -0.4480 0.7123 0.7123 5.0384 5.0384 5.0675 5.0675 5.4943 5.4943 5.9974 5.9974 7.9298 7.9298 8.2807 8.2807 8.6303 8.6303 9.0602 9.0602 9.5482 9.5482 10.3453 10.3453 10.6561 10.6561 11.4404 11.4404 11.6677 11.6677 11.7729 11.7729 12.3413 12.3413 k = 0.1091 0.1091-0.0000 ( 9727 PWs) bands (ev): -46.9025 -46.9025 -46.8086 -46.8086 -23.7077 -23.7077 -23.5773 -23.5773 -23.1320 -23.1320 -23.0480 -23.0480 -22.7823 -22.7823 -22.6203 -22.6203 -17.5066 -17.5066 -9.5899 -9.5899 -4.1219 -4.1219 -2.2989 -2.2989 -2.0328 -2.0328 -0.4783 -0.4783 0.7216 0.7216 5.0876 5.0876 5.1091 5.1091 5.5292 5.5292 5.9563 5.9563 7.9303 7.9303 8.2467 8.2467 8.7078 8.7078 9.1376 9.1376 9.5307 9.5307 10.2990 10.2990 10.6855 10.6855 11.3697 11.3697 11.6765 11.6765 11.7664 11.7664 12.3136 12.3136 k = 0.1000 0.1000-0.0000 ( 9727 PWs) bands (ev): -46.9034 -46.9034 -46.8077 -46.8077 -23.7083 -23.7083 -23.5765 -23.5765 -23.1324 -23.1324 -23.0487 -23.0487 -22.7807 -22.7807 -22.6181 -22.6181 -17.5084 -17.5084 -9.6070 -9.6070 -4.1180 -4.1180 -2.2975 -2.2975 -2.0156 -2.0156 -0.5075 -0.5075 0.7304 0.7304 5.1339 5.1339 5.1485 5.1485 5.5633 5.5633 5.9171 5.9171 7.9302 7.9302 8.2115 8.2115 8.7795 8.7795 9.2148 9.2148 9.5206 9.5206 10.2559 10.2559 10.7172 10.7172 11.2931 11.2931 11.6843 11.6843 11.7604 11.7604 12.2875 12.2875 k = 0.0909 0.0909-0.0000 ( 9723 PWs) bands (ev): -46.9043 -46.9043 -46.8069 -46.8069 -23.7089 -23.7089 -23.5758 -23.5758 -23.1328 -23.1328 -23.0493 -23.0493 -22.7793 -22.7793 -22.6158 -22.6158 -17.5100 -17.5100 -9.6228 -9.6228 -4.1144 -4.1144 -2.2962 -2.2962 -1.9988 -1.9988 -0.5355 -0.5355 0.7387 0.7387 5.1771 5.1771 5.1857 5.1857 5.5963 5.5963 5.8800 5.8800 7.9296 7.9296 8.1759 8.1759 8.8434 8.8434 9.2906 9.2906 9.5199 9.5199 10.2162 10.2162 10.7502 10.7502 11.2123 11.2123 11.6910 11.6910 11.7548 11.7548 12.2631 12.2631 k = 0.0818 0.0818-0.0000 ( 9721 PWs) bands (ev): -46.9051 -46.9051 -46.8061 -46.8061 -23.7096 -23.7096 -23.5751 -23.5751 -23.1334 -23.1334 -23.0496 -23.0496 -22.7781 -22.7781 -22.6136 -22.6136 -17.5114 -17.5114 -9.6373 -9.6373 -4.1111 -4.1111 -2.2948 -2.2948 -1.9826 -1.9826 -0.5619 -0.5619 0.7465 0.7465 5.2169 5.2169 5.2207 5.2207 5.6278 5.6278 5.8451 5.8451 7.9284 7.9284 8.1410 8.1410 8.8977 8.8977 9.3636 9.3636 9.5313 9.5313 10.1801 10.1801 10.7832 10.7832 11.1289 11.1289 11.6965 11.6965 11.7499 11.7499 12.2403 12.2403 k = 0.0727 0.0727-0.0000 ( 9723 PWs) bands (ev): -46.9058 -46.9058 -46.8054 -46.8054 -23.7103 -23.7103 -23.5745 -23.5745 -23.1341 -23.1341 -23.0498 -23.0498 -22.7770 -22.7770 -22.6115 -22.6115 -17.5128 -17.5128 -9.6503 -9.6503 -4.1081 -4.1081 -2.2936 -2.2936 -1.9674 -1.9674 -0.5866 -0.5866 0.7537 0.7537 5.2524 5.2524 5.2540 5.2540 5.6575 5.6575 5.8127 5.8127 7.9265 7.9265 8.1076 8.1076 8.9408 8.9408 9.4308 9.4308 9.5579 9.5579 10.1478 10.1478 10.8142 10.8142 11.0456 11.0456 11.7008 11.7008 11.7456 11.7456 12.2193 12.2193 k = 0.0636 0.0636-0.0000 ( 9727 PWs) bands (ev): -46.9064 -46.9064 -46.8048 -46.8048 -23.7110 -23.7110 -23.5739 -23.5739 -23.1347 -23.1347 -23.0498 -23.0498 -22.7762 -22.7762 -22.6095 -22.6095 -17.5140 -17.5140 -9.6619 -9.6619 -4.1055 -4.1055 -2.2924 -2.2924 -1.9532 -1.9532 -0.6091 -0.6091 0.7601 0.7601 5.2826 5.2826 5.2862 5.2862 5.6850 5.6850 5.7827 5.7827 7.9238 7.9238 8.0768 8.0768 8.9726 8.9726 9.4893 9.4893 9.6013 9.6013 10.1195 10.1195 10.8359 10.8359 10.9697 10.9697 11.7041 11.7041 11.7421 11.7421 12.2002 12.2002 k = 0.0545 0.0545-0.0000 ( 9717 PWs) bands (ev): -46.9070 -46.9070 -46.8043 -46.8043 -23.7117 -23.7117 -23.5734 -23.5734 -23.1353 -23.1353 -23.0498 -23.0498 -22.7755 -22.7755 -22.6077 -22.6077 -17.5150 -17.5150 -9.6721 -9.6721 -4.1032 -4.1032 -2.2913 -2.2913 -1.9403 -1.9403 -0.6294 -0.6294 0.7659 0.7659 5.3098 5.3098 5.3149 5.3149 5.7098 5.7098 5.7556 5.7556 7.9202 7.9202 8.0495 8.0495 8.9943 8.9943 9.5393 9.5393 9.6580 9.6580 10.0959 10.0959 10.8185 10.8185 10.9312 10.9312 11.7062 11.7062 11.7394 11.7394 12.1833 12.1833 k = 0.0455 0.0455-0.0000 ( 9723 PWs) bands (ev): -46.9075 -46.9075 -46.8038 -46.8038 -23.7123 -23.7123 -23.5730 -23.5730 -23.1359 -23.1359 -23.0497 -23.0497 -22.7750 -22.7750 -22.6061 -22.6061 -17.5159 -17.5159 -9.6807 -9.6807 -4.1013 -4.1013 -2.2903 -2.2903 -1.9289 -1.9289 -0.6471 -0.6471 0.7708 0.7708 5.3341 5.3341 5.3395 5.3395 5.7277 5.7277 5.7354 5.7354 7.9154 7.9154 8.0266 8.0266 9.0080 9.0080 9.5842 9.5842 9.7200 9.7200 10.0782 10.0782 10.7510 10.7510 10.9413 10.9413 11.7073 11.7073 11.7375 11.7375 12.1686 12.1686 k = 0.0364 0.0364-0.0000 ( 9723 PWs) bands (ev): -46.9079 -46.9079 -46.8034 -46.8034 -23.7128 -23.7128 -23.5726 -23.5726 -23.1364 -23.1364 -23.0496 -23.0496 -22.7745 -22.7745 -22.6047 -22.6047 -17.5166 -17.5166 -9.6878 -9.6878 -4.0997 -4.0997 -2.2895 -2.2895 -1.9192 -1.9192 -0.6620 -0.6620 0.7750 0.7750 5.3551 5.3551 5.3598 5.3598 5.7096 5.7096 5.7511 5.7511 7.9096 7.9096 8.0088 8.0088 9.0160 9.0160 9.6249 9.6249 9.7792 9.7792 10.0689 10.0689 10.6716 10.6716 10.9621 10.9621 11.7078 11.7078 11.7362 11.7362 12.1563 12.1563 k = 0.0273 0.0273-0.0000 ( 9723 PWs) bands (ev): -46.9082 -46.9082 -46.8031 -46.8031 -23.7132 -23.7132 -23.5723 -23.5723 -23.1368 -23.1368 -23.0495 -23.0495 -22.7742 -22.7742 -22.6036 -22.6036 -17.5172 -17.5172 -9.6933 -9.6933 -4.0985 -4.0985 -2.2888 -2.2888 -1.9114 -1.9114 -0.6738 -0.6738 0.7782 0.7782 5.3724 5.3724 5.3758 5.3758 5.6923 5.6923 5.7659 5.7659 7.9034 7.9034 7.9959 7.9959 9.0202 9.0202 9.6605 9.6605 9.8280 9.8280 10.0720 10.0720 10.5935 10.5935 10.9818 10.9818 11.7077 11.7077 11.7353 11.7353 12.1466 12.1466 k = 0.0182 0.0182-0.0000 ( 9723 PWs) bands (ev): -46.9084 -46.9084 -46.8029 -46.8029 -23.7135 -23.7135 -23.5721 -23.5721 -23.1371 -23.1371 -23.0494 -23.0494 -22.7740 -22.7740 -22.6028 -22.6028 -17.5176 -17.5176 -9.6973 -9.6973 -4.0976 -4.0976 -2.2884 -2.2884 -1.9058 -1.9058 -0.6824 -0.6824 0.7805 0.7805 5.3854 5.3854 5.3873 5.3873 5.6793 5.6793 5.7767 5.7767 7.8977 7.8977 7.9876 7.9876 9.0223 9.0223 9.6888 9.6888 9.8598 9.8598 10.0896 10.0896 10.5234 10.5234 10.9972 10.9972 11.7075 11.7075 11.7348 11.7348 12.1396 12.1396 k = 0.0091 0.0091-0.0000 ( 9719 PWs) bands (ev): -46.9085 -46.9085 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1372 -23.1372 -23.0494 -23.0494 -22.7739 -22.7739 -22.6023 -22.6023 -17.5178 -17.5178 -9.6997 -9.6997 -4.0971 -4.0971 -2.2881 -2.2881 -1.9023 -1.9023 -0.6877 -0.6877 0.7819 0.7819 5.3936 5.3936 5.3942 5.3942 5.6711 5.6711 5.7833 5.7833 7.8937 7.8937 7.9829 7.9829 9.0231 9.0231 9.7073 9.7073 9.8748 9.8748 10.1140 10.1140 10.4705 10.4705 11.0069 11.0069 11.7073 11.7073 11.7345 11.7345 12.1354 12.1354 k = 0.0000 0.0000 0.0000 ( 9715 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7005 -9.7005 -4.0969 -4.0969 -2.2880 -2.2880 -1.9012 -1.9012 -0.6894 -0.6894 0.7824 0.7824 5.3963 5.3963 5.3967 5.3967 5.6683 5.6683 5.7856 5.7856 7.8923 7.8923 7.9815 7.9815 9.0233 9.0233 9.7138 9.7138 9.8787 9.8787 10.1261 10.1261 10.4497 10.4497 11.0102 11.0102 11.7072 11.7072 11.7344 11.7344 12.1340 12.1340 k = 0.0000 0.0000 0.0000 ( 9715 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7005 -9.7005 -4.0969 -4.0969 -2.2880 -2.2880 -1.9012 -1.9012 -0.6894 -0.6894 0.7824 0.7824 5.3963 5.3963 5.3967 5.3967 5.6683 5.6683 5.7856 5.7856 7.8923 7.8923 7.9815 7.9815 9.0233 9.0233 9.7138 9.7138 9.8787 9.8787 10.1261 10.1261 10.4497 10.4497 11.0102 11.0102 11.7072 11.7072 11.7344 11.7344 12.1340 12.1340 k = 0.0000 0.0000 0.0126 ( 9723 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7005 -9.7005 -4.0969 -4.0969 -2.2881 -2.2881 -1.9012 -1.9012 -0.6878 -0.6878 0.7800 0.7800 5.3962 5.3962 5.3966 5.3966 5.6696 5.6696 5.7877 5.7877 7.8930 7.8930 7.9822 7.9822 9.0233 9.0233 9.7091 9.7091 9.8784 9.8784 10.1244 10.1244 10.4511 10.4511 11.0054 11.0054 11.7071 11.7071 11.7343 11.7343 12.1304 12.1304 k = 0.0000 0.0000 0.0253 ( 9719 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7005 -9.7005 -4.0969 -4.0969 -2.2887 -2.2887 -1.9012 -1.9012 -0.6829 -0.6829 0.7727 0.7727 5.3961 5.3961 5.3965 5.3965 5.6732 5.6732 5.7947 5.7947 7.8949 7.8949 7.9843 7.9843 9.0233 9.0233 9.6950 9.6950 9.8771 9.8771 10.1192 10.1192 10.4554 10.4554 10.9918 10.9918 11.7069 11.7069 11.7340 11.7340 12.1197 12.1197 k = 0.0000 0.0000 0.0379 ( 9719 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7006 -9.7006 -4.0969 -4.0969 -2.2895 -2.2895 -1.9012 -1.9012 -0.6749 -0.6749 0.7607 0.7607 5.3958 5.3958 5.3962 5.3962 5.6778 5.6778 5.8077 5.8077 7.8981 7.8981 7.9879 7.9879 9.0234 9.0234 9.6717 9.6717 9.8745 9.8745 10.1106 10.1106 10.4626 10.4626 10.9709 10.9709 11.7064 11.7064 11.7335 11.7335 12.1021 12.1021 k = 0.0000 0.0000 0.0506 ( 9727 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7006 -9.7006 -4.0969 -4.0969 -2.2907 -2.2907 -1.9012 -1.9012 -0.6636 -0.6636 0.7440 0.7440 5.3954 5.3954 5.3959 5.3959 5.6816 5.6816 5.8283 5.8283 7.9024 7.9024 7.9927 7.9927 9.0234 9.0234 9.6393 9.6393 9.8699 9.8699 10.0989 10.0989 10.4726 10.4726 10.9451 10.9451 11.7058 11.7058 11.7328 11.7328 12.0779 12.0779 k = 0.0000 0.0000 0.0632 ( 9723 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7007 -9.7007 -4.0970 -4.0970 -2.2921 -2.2921 -1.9012 -1.9012 -0.6493 -0.6493 0.7230 0.7230 5.3949 5.3949 5.3954 5.3954 5.6837 5.6837 5.8572 5.8572 7.9079 7.9079 7.9989 7.9989 9.0235 9.0235 9.5976 9.5976 9.8629 9.8629 10.0844 10.0844 10.4855 10.4855 10.9173 10.9173 11.7051 11.7051 11.7320 11.7320 12.0474 12.0474 k = 0.0000 0.0000 0.0759 ( 9727 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7008 -9.7008 -4.0970 -4.0970 -2.2939 -2.2939 -1.9012 -1.9012 -0.6319 -0.6319 0.6977 0.6977 5.3944 5.3944 5.3949 5.3949 5.6837 5.6837 5.8947 5.8947 7.9145 7.9145 8.0062 8.0062 9.0235 9.0235 9.5465 9.5465 9.8532 9.8532 10.0672 10.0672 10.5011 10.5011 10.8901 10.8901 11.7041 11.7041 11.7310 11.7310 12.0111 12.0111 k = 0.0000 0.0000 0.0885 ( 9723 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5179 -17.5179 -9.7010 -9.7010 -4.0971 -4.0971 -2.2958 -2.2958 -1.9013 -1.9013 -0.6115 -0.6115 0.6686 0.6686 5.3937 5.3937 5.3943 5.3943 5.6818 5.6818 5.9401 5.9401 7.9219 7.9219 8.0146 8.0146 9.0236 9.0236 9.4859 9.4859 9.8409 9.8409 10.0479 10.0479 10.5196 10.5196 10.8657 10.8657 11.7031 11.7031 11.7299 11.7299 11.9696 11.9696 k = 0.0000 0.0000 0.1011 ( 9731 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5178 -17.5178 -9.7011 -9.7011 -4.0971 -4.0971 -2.2978 -2.2978 -1.9013 -1.9013 -0.5883 -0.5883 0.6359 0.6359 5.3930 5.3930 5.3937 5.3937 5.6784 5.6784 5.9928 5.9928 7.9303 7.9303 8.0239 8.0239 9.0237 9.0237 9.4162 9.4162 9.8262 9.8262 10.0269 10.0269 10.5409 10.5409 10.8459 10.8459 11.7019 11.7019 11.7286 11.7286 11.9234 11.9234 k = 0.0000 0.0000 0.1138 ( 9731 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5178 -17.5178 -9.7013 -9.7013 -4.0971 -4.0971 -2.3000 -2.3000 -1.9013 -1.9013 -0.5623 -0.5623 0.5998 0.5998 5.3923 5.3923 5.3930 5.3930 5.6741 5.6741 6.0519 6.0519 7.9392 7.9392 8.0340 8.0340 9.0237 9.0237 9.3378 9.3378 9.8094 9.8094 10.0045 10.0045 10.5649 10.5649 10.8316 10.8316 11.7006 11.7006 11.7272 11.7272 11.8734 11.8734 k = 0.0000 0.0000 0.1264 ( 9723 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5178 -17.5178 -9.7014 -9.7014 -4.0972 -4.0972 -2.3023 -2.3023 -1.9013 -1.9013 -0.5336 -0.5336 0.5609 0.5609 5.3915 5.3915 5.3923 5.3923 5.6689 5.6689 6.1167 6.1167 7.9488 7.9488 8.0446 8.0446 9.0238 9.0238 9.2517 9.2517 9.7911 9.7911 9.9811 9.9811 10.5917 10.5917 10.8229 10.8229 11.6992 11.6992 11.7256 11.7256 11.8202 11.8202 k = 0.0000 0.0000 0.1391 ( 9719 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5178 -17.5178 -9.7016 -9.7016 -4.0972 -4.0972 -2.3046 -2.3046 -1.9014 -1.9014 -0.5024 -0.5024 0.5193 0.5193 5.3907 5.3907 5.3916 5.3916 5.6634 5.6634 6.1863 6.1863 7.9586 7.9586 8.0557 8.0557 9.0239 9.0239 9.1591 9.1591 9.7718 9.7718 9.9574 9.9574 10.6211 10.6211 10.8196 10.8196 11.6977 11.6977 11.7232 11.7232 11.7651 11.7651 k = 0.0000 0.0000 0.1517 ( 9727 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5178 -17.5178 -9.7017 -9.7017 -4.0973 -4.0973 -2.3068 -2.3068 -1.9014 -1.9014 -0.4687 -0.4687 0.4754 0.4754 5.3899 5.3899 5.3908 5.3908 5.6576 5.6576 6.2599 6.2599 7.9687 7.9687 8.0670 8.0670 9.0240 9.0240 9.0617 9.0617 9.7520 9.7520 9.9337 9.9337 10.6532 10.6532 10.8209 10.8209 11.6963 11.6963 11.7018 11.7018 11.7268 11.7268 k = 0.0000 0.0000 0.1644 ( 9727 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7019 -9.7019 -4.0973 -4.0973 -2.3090 -2.3090 -1.9014 -1.9014 -0.4329 -0.4329 0.4296 0.4296 5.3891 5.3891 5.3901 5.3901 5.6517 5.6517 6.3365 6.3365 7.9787 7.9787 8.0782 8.0782 8.9611 8.9611 9.0241 9.0241 9.7324 9.7324 9.9105 9.9105 10.6879 10.6879 10.8260 10.8260 11.6444 11.6444 11.6949 11.6949 11.7231 11.7231 k = 0.0000 0.0000 0.1770 ( 9727 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7020 -9.7020 -4.0974 -4.0974 -2.3111 -2.3111 -1.9015 -1.9015 -0.3949 -0.3949 0.3822 0.3822 5.3884 5.3884 5.3895 5.3895 5.6461 5.6461 6.4149 6.4149 7.9885 7.9885 8.0892 8.0892 8.8593 8.8593 9.0241 9.0241 9.7134 9.7134 9.8883 9.8883 10.7251 10.7251 10.8338 10.8338 11.5840 11.5840 11.6935 11.6935 11.7214 11.7214 k = 0.0000 0.0000 0.1896 ( 9723 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7022 -9.7022 -4.0974 -4.0974 -2.3131 -2.3131 -1.9015 -1.9015 -0.3549 -0.3549 0.3336 0.3336 5.3877 5.3877 5.3888 5.3888 5.6407 5.6407 6.4939 6.4939 7.9978 7.9978 8.0996 8.0996 8.7581 8.7581 9.0242 9.0242 9.6955 9.6955 9.8674 9.8674 10.7648 10.7648 10.8434 10.8434 11.5228 11.5228 11.6922 11.6922 11.7200 11.7200 k = 0.0000 0.0000 0.2023 ( 9715 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7023 -9.7023 -4.0975 -4.0975 -2.3148 -2.3148 -1.9015 -1.9015 -0.3132 -0.3132 0.2840 0.2840 5.3871 5.3871 5.3882 5.3882 5.6358 5.6358 6.5717 6.5717 8.0065 8.0065 8.1093 8.1093 8.6599 8.6599 9.0243 9.0243 9.6791 9.6791 9.8484 9.8484 10.8069 10.8069 10.8538 10.8538 11.4614 11.4614 11.6911 11.6911 11.7188 11.7188 k = 0.0000 0.0000 0.2149 ( 9711 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7024 -9.7024 -4.0975 -4.0975 -2.3163 -2.3163 -1.9016 -1.9016 -0.2699 -0.2699 0.2339 0.2339 5.3865 5.3865 5.3877 5.3877 5.6315 5.6315 6.6462 6.6462 8.0144 8.0144 8.1180 8.1180 8.5673 8.5673 9.0243 9.0243 9.6645 9.6645 9.8315 9.8315 10.8514 10.8514 10.8642 10.8642 11.4001 11.4001 11.6900 11.6900 11.7177 11.7177 k = 0.0000 0.0000 0.2276 ( 9699 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7025 -9.7025 -4.0975 -4.0975 -2.3176 -2.3176 -1.9016 -1.9016 -0.2253 -0.2253 0.1836 0.1836 5.3860 5.3860 5.3873 5.3873 5.6278 5.6278 6.7148 6.7148 8.0213 8.0213 8.1255 8.1255 8.4833 8.4833 9.0244 9.0244 9.6521 9.6521 9.8172 9.8172 10.8738 10.8738 10.8980 10.8980 11.3393 11.3393 11.6891 11.6891 11.7168 11.7168 k = 0.0000 0.0000 0.2402 ( 9692 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7026 -9.7026 -4.0976 -4.0976 -2.3186 -2.3186 -1.9016 -1.9016 -0.1800 -0.1800 0.1337 0.1337 5.3857 5.3857 5.3870 5.3870 5.6248 5.6248 6.7742 6.7742 8.0269 8.0269 8.1315 8.1315 8.4115 8.4115 9.0244 9.0244 9.6421 9.6421 9.8057 9.8057 10.8820 10.8820 10.9468 10.9468 11.2794 11.2794 11.6884 11.6884 11.7161 11.7161 k = 0.0000 0.0000 0.2529 ( 9708 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7026 -9.7026 -4.0976 -4.0976 -2.3194 -2.3194 -1.9016 -1.9016 -0.1348 -0.1348 0.0851 0.0851 5.3854 5.3854 5.3867 5.3867 5.6226 5.6226 6.8207 6.8207 8.0313 8.0313 8.1359 8.1359 8.3557 8.3557 9.0245 9.0245 9.6349 9.6349 9.7974 9.7974 10.8882 10.8882 10.9975 10.9975 11.2206 11.2206 11.6879 11.6879 11.7156 11.7156 k = 0.0000 0.0000 0.2655 ( 9716 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7027 -9.7027 -4.0976 -4.0976 -2.3198 -2.3198 -1.9016 -1.9016 -0.0930 -0.0930 0.0413 0.0413 5.3852 5.3852 5.3865 5.3865 5.6213 5.6213 6.8506 6.8506 8.0340 8.0340 8.1387 8.1387 8.3201 8.3201 9.0245 9.0245 9.6304 9.6304 9.7923 9.7923 10.8920 10.8920 11.0496 11.0496 11.1636 11.1636 11.6876 11.6876 11.7153 11.7153 k = 0.0000 0.0000 0.2781 ( 9712 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7027 -9.7027 -4.0976 -4.0976 -2.3200 -2.3200 -1.9016 -1.9016 -0.0705 -0.0705 0.0182 0.0182 5.3852 5.3852 5.3865 5.3865 5.6209 5.6209 6.8610 6.8610 8.0350 8.0350 8.1396 8.1396 8.3079 8.3079 9.0245 9.0245 9.6289 9.6289 9.7905 9.7905 10.8933 10.8933 11.0929 11.0929 11.1187 11.1187 11.6875 11.6875 11.7152 11.7152 k = 0.0000 0.0000 0.2781 ( 9712 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7027 -9.7027 -4.0976 -4.0976 -2.3200 -2.3200 -1.9016 -1.9016 -0.0705 -0.0705 0.0182 0.0182 5.3852 5.3852 5.3865 5.3865 5.6209 5.6209 6.8610 6.8610 8.0350 8.0350 8.1396 8.1396 8.3079 8.3079 9.0245 9.0245 9.6289 9.6289 9.7905 9.7905 10.8933 10.8933 11.0929 11.0929 11.1187 11.1187 11.6875 11.6875 11.7152 11.7152 k = 0.0000 0.0128 0.2781 ( 9704 PWs) bands (ev): -46.9085 -46.9085 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1372 -23.1372 -23.0494 -23.0494 -22.7739 -22.7739 -22.6023 -22.6023 -17.5176 -17.5176 -9.7019 -9.7019 -4.0977 -4.0977 -2.3200 -2.3200 -1.9026 -1.9026 -0.0707 -0.0707 0.0198 0.0198 5.3823 5.3823 5.3853 5.3853 5.6194 5.6194 6.8616 6.8616 8.0281 8.0281 8.1296 8.1296 8.3271 8.3271 9.0238 9.0238 9.6248 9.6248 9.7861 9.7861 10.8968 10.8968 11.1002 11.1002 11.1198 11.1198 11.6873 11.6873 11.7151 11.7151 k = 0.0000 0.0256 0.2781 ( 9708 PWs) bands (ev): -46.9084 -46.9084 -46.8029 -46.8029 -23.7135 -23.7135 -23.5721 -23.5721 -23.1371 -23.1371 -23.0494 -23.0494 -22.7740 -22.7740 -22.6028 -22.6028 -17.5173 -17.5173 -9.6995 -9.6995 -4.0982 -4.0982 -2.3200 -2.3200 -1.9056 -1.9056 -0.0713 -0.0713 0.0246 0.0246 5.3723 5.3723 5.3833 5.3833 5.6150 5.6150 6.8636 6.8636 8.0060 8.0060 8.1138 8.1138 8.3726 8.3726 9.0219 9.0219 9.6091 9.6091 9.7773 9.7773 10.9058 10.9058 11.1222 11.1222 11.1233 11.1233 11.6862 11.6862 11.7156 11.7156 k = 0.0000 0.0385 0.2781 ( 9700 PWs) bands (ev): -46.9082 -46.9082 -46.8031 -46.8031 -23.7132 -23.7132 -23.5724 -23.5724 -23.1368 -23.1368 -23.0495 -23.0495 -22.7742 -22.7742 -22.6036 -22.6036 -17.5169 -17.5169 -9.6956 -9.6956 -4.0990 -4.0990 -2.3200 -2.3200 -1.9104 -1.9104 -0.0722 -0.0722 0.0324 0.0324 5.3555 5.3555 5.3800 5.3800 5.6077 5.6077 6.8669 6.8669 7.9700 7.9700 8.1049 8.1049 8.4297 8.4297 9.0188 9.0188 9.5750 9.5750 9.7739 9.7739 10.9171 10.9171 11.1288 11.1288 11.1588 11.1588 11.6825 11.6825 11.7182 11.7183 k = 0.0000 0.0513 0.2781 ( 9708 PWs) bands (ev): -46.9079 -46.9079 -46.8034 -46.8034 -23.7128 -23.7128 -23.5726 -23.5726 -23.1363 -23.1363 -23.0496 -23.0496 -22.7745 -22.7745 -22.6047 -22.6047 -17.5164 -17.5164 -9.6901 -9.6901 -4.1001 -4.1001 -2.3200 -2.3200 -1.9170 -1.9170 -0.0731 -0.0731 0.0430 0.0430 5.3323 5.3323 5.3755 5.3755 5.5975 5.5975 6.8715 6.8715 7.9271 7.9271 8.1024 8.1024 8.4921 8.4921 9.0147 9.0147 9.5202 9.5202 9.7818 9.7818 10.9286 10.9286 11.1362 11.1362 11.2084 11.2084 11.6751 11.6751 11.7242 11.7242 k = 0.0000 0.0641 0.2781 ( 9714 PWs) bands (ev): -46.9075 -46.9075 -46.8038 -46.8038 -23.7122 -23.7122 -23.5730 -23.5730 -23.1358 -23.1358 -23.0498 -23.0498 -22.7749 -22.7749 -22.6062 -22.6062 -17.5157 -17.5157 -9.6831 -9.6831 -4.1016 -4.1016 -2.3202 -2.3202 -1.9251 -1.9251 -0.0740 -0.0740 0.0560 0.0560 5.3030 5.3030 5.3698 5.3698 5.5845 5.5845 6.8773 6.8773 7.8825 7.8825 8.1035 8.1035 8.5570 8.5570 9.0101 9.0101 9.4489 9.4489 9.8004 9.8004 10.9392 10.9392 11.1449 11.1449 11.2677 11.2677 11.6643 11.6643 11.7336 11.7336 k = 0.0000 0.0769 0.2781 ( 9706 PWs) bands (ev): -46.9070 -46.9070 -46.8043 -46.8043 -23.7115 -23.7115 -23.5735 -23.5735 -23.1351 -23.1351 -23.0500 -23.0500 -22.7753 -22.7753 -22.6079 -22.6079 -17.5148 -17.5148 -9.6746 -9.6746 -4.1034 -4.1034 -2.3206 -2.3206 -1.9344 -1.9344 -0.0747 -0.0747 0.0712 0.0712 5.2677 5.2677 5.3629 5.3629 5.5685 5.5685 6.8843 6.8843 7.8389 7.8389 8.1068 8.1068 8.6228 8.6228 9.0050 9.0050 9.3662 9.3662 9.8273 9.8273 10.9490 10.9490 11.1546 11.1546 11.3331 11.3331 11.6504 11.6504 11.7461 11.7461 k = 0.0000 0.0897 0.2781 ( 9704 PWs) bands (ev): -46.9064 -46.9064 -46.8048 -46.8048 -23.7107 -23.7107 -23.5740 -23.5740 -23.1344 -23.1344 -23.0502 -23.0502 -22.7758 -22.7758 -22.6100 -22.6100 -17.5138 -17.5138 -9.6648 -9.6648 -4.1056 -4.1056 -2.3214 -2.3214 -1.9448 -1.9448 -0.0754 -0.0754 0.0884 0.0884 5.2270 5.2270 5.3549 5.3549 5.5498 5.5498 6.8925 6.8925 7.7975 7.7975 8.1116 8.1116 8.6884 8.6884 8.9999 8.9999 9.2765 9.2765 9.8606 9.8606 10.9583 10.9583 11.1647 11.1647 11.4014 11.4014 11.6338 11.6338 11.7616 11.7616 k = 0.0000 0.1026 0.2781 ( 9688 PWs) bands (ev): -46.9058 -46.9058 -46.8054 -46.8054 -23.7098 -23.7098 -23.5746 -23.5746 -23.1335 -23.1335 -23.0505 -23.0505 -22.7764 -22.7764 -22.6123 -22.6123 -17.5126 -17.5126 -9.6535 -9.6535 -4.1081 -4.1081 -2.3225 -2.3225 -1.9557 -1.9557 -0.0759 -0.0759 0.1074 0.1074 5.1813 5.1813 5.3459 5.3459 5.5283 5.5283 6.9017 6.9017 7.7591 7.7591 8.1175 8.1175 8.7524 8.7524 8.9946 8.9946 9.1828 9.1828 9.8993 9.8993 10.9676 10.9676 11.1747 11.1747 11.4695 11.4695 11.6150 11.6150 11.7799 11.7799 k = 0.0000 0.1154 0.2781 ( 9680 PWs) bands (ev): -46.9051 -46.9051 -46.8061 -46.8061 -23.7088 -23.7088 -23.5753 -23.5753 -23.1325 -23.1325 -23.0508 -23.0508 -22.7770 -22.7770 -22.6149 -22.6149 -17.5114 -17.5114 -9.6409 -9.6409 -4.1110 -4.1110 -2.3242 -2.3242 -1.9670 -1.9670 -0.0762 -0.0762 0.1281 0.1281 5.1310 5.1310 5.3359 5.3359 5.5042 5.5042 6.9120 6.9120 7.7241 7.7241 8.1245 8.1245 8.8130 8.8130 8.9884 8.9884 9.0895 9.0895 9.9427 9.9427 10.9769 10.9769 11.1840 11.1840 11.5336 11.5336 11.5957 11.5957 11.8011 11.8011 k = 0.0000 0.1282 0.2781 ( 9674 PWs) bands (ev): -46.9043 -46.9043 -46.8069 -46.8069 -23.7076 -23.7076 -23.5761 -23.5761 -23.1314 -23.1314 -23.0511 -23.0511 -22.7776 -22.7776 -22.6178 -22.6178 -17.5100 -17.5100 -9.6271 -9.6271 -4.1142 -4.1142 -2.3267 -2.3267 -1.9782 -1.9782 -0.0765 -0.0765 0.1501 0.1501 5.0765 5.0765 5.3251 5.3251 5.4775 5.4775 6.9233 6.9233 7.6927 7.6927 8.1324 8.1324 8.8627 8.8627 8.9717 8.9717 9.0143 9.0143 9.9901 9.9901 10.9864 10.9864 11.1923 11.1923 11.5609 11.5609 11.6072 11.6072 11.8249 11.8249 k = 0.0000 0.1410 0.2781 ( 9670 PWs) bands (ev): -46.9034 -46.9034 -46.8078 -46.8078 -23.7064 -23.7064 -23.5770 -23.5770 -23.1302 -23.1302 -23.0515 -23.0515 -22.7783 -22.7783 -22.6210 -22.6210 -17.5085 -17.5085 -9.6121 -9.6121 -4.1179 -4.1179 -2.3300 -2.3300 -1.9889 -1.9889 -0.0767 -0.0767 0.1733 0.1733 5.0184 5.0184 5.3135 5.3135 5.4485 5.4485 6.9354 6.9354 7.6651 7.6651 8.1410 8.1410 8.8491 8.8491 8.9542 8.9542 9.0002 9.0002 10.0412 10.0412 10.9961 10.9961 11.1993 11.1993 11.5390 11.5390 11.6605 11.6605 11.8513 11.8513 k = 0.0000 0.1538 0.2781 ( 9686 PWs) bands (ev): -46.9024 -46.9024 -46.8087 -46.8087 -23.7050 -23.7050 -23.5780 -23.5780 -23.1289 -23.1289 -23.0519 -23.0519 -22.7789 -22.7789 -22.6244 -22.6244 -17.5068 -17.5068 -9.5960 -9.5960 -4.1220 -4.1220 -2.3343 -2.3343 -1.9988 -1.9988 -0.0768 -0.0768 0.1976 0.1976 4.9573 4.9573 5.3012 5.3012 5.4173 5.4173 6.9484 6.9484 7.6414 7.6414 8.1504 8.1504 8.7641 8.7641 8.9709 8.9709 9.0204 9.0204 10.0957 10.0957 11.0061 11.0061 11.2052 11.2052 11.5120 11.5120 11.7105 11.7105 11.8799 11.8799 k = 0.0000 0.1667 0.2781 ( 9698 PWs) bands (ev): -46.9013 -46.9013 -46.8097 -46.8097 -23.7036 -23.7036 -23.5790 -23.5790 -23.1276 -23.1276 -23.0523 -23.0523 -22.7796 -22.7796 -22.6281 -22.6281 -17.5051 -17.5051 -9.5790 -9.5790 -4.1265 -4.1265 -2.3397 -2.3397 -2.0076 -2.0076 -0.0770 -0.0770 0.2227 0.2227 4.8935 4.8935 5.2883 5.2883 5.3841 5.3841 6.9620 6.9620 7.6215 7.6215 8.1603 8.1603 8.6689 8.6689 8.9747 8.9747 9.0607 9.0607 10.1533 10.1533 11.0164 11.0164 11.2102 11.2102 11.4828 11.4828 11.7532 11.7532 11.9105 11.9105 k = 0.0000 0.1795 0.2781 ( 9698 PWs) bands (ev): -46.9002 -46.9002 -46.8108 -46.8108 -23.7020 -23.7020 -23.5802 -23.5802 -23.1261 -23.1261 -23.0527 -23.0527 -22.7803 -22.7803 -22.6320 -22.6320 -17.5033 -17.5033 -9.5611 -9.5611 -4.1313 -4.1313 -2.3463 -2.3463 -2.0151 -2.0151 -0.0773 -0.0773 0.2485 0.2485 4.8277 4.8277 5.2749 5.2749 5.3492 5.3492 6.9763 6.9763 7.6055 7.6055 8.1708 8.1708 8.5732 8.5732 8.9752 8.9752 9.1017 9.1017 10.2137 10.2137 11.0269 11.0269 11.2149 11.2149 11.4521 11.4521 11.7876 11.7876 11.9427 11.9427 k = 0.0000 0.1923 0.2781 ( 9714 PWs) bands (ev): -46.8990 -46.8990 -46.8119 -46.8119 -23.7003 -23.7003 -23.5814 -23.5814 -23.1246 -23.1246 -23.0532 -23.0532 -22.7809 -22.7809 -22.6360 -22.6360 -17.5015 -17.5015 -9.5424 -9.5424 -4.1366 -4.1366 -2.3540 -2.3540 -2.0211 -2.0211 -0.0776 -0.0776 0.2748 0.2748 4.7603 4.7603 5.2611 5.2611 5.3128 5.3128 6.9910 6.9910 7.5931 7.5931 8.1818 8.1818 8.4787 8.4787 8.9755 8.9755 9.1380 9.1380 10.2767 10.2767 11.0376 11.0376 11.2203 11.2203 11.4201 11.4201 11.8130 11.8130 11.9761 11.9761 k = 0.0000 0.2051 0.2781 ( 9718 PWs) bands (ev): -46.8978 -46.8978 -46.8132 -46.8132 -23.6985 -23.6985 -23.5827 -23.5827 -23.1231 -23.1231 -23.0536 -23.0536 -22.7815 -22.7815 -22.6403 -22.6403 -17.4996 -17.4996 -9.5230 -9.5230 -4.1422 -4.1422 -2.3629 -2.3629 -2.0255 -2.0255 -0.0781 -0.0781 0.3014 0.3014 4.6918 4.6918 5.2468 5.2468 5.2754 5.2754 7.0062 7.0062 7.5844 7.5844 8.1928 8.1928 8.3867 8.3867 8.9762 8.9762 9.1676 9.1676 10.3422 10.3422 11.0485 11.0485 11.2272 11.2272 11.3872 11.3872 11.8293 11.8293 12.0106 12.0106 k = 0.0000 0.2179 0.2781 ( 9726 PWs) bands (ev): -46.8964 -46.8964 -46.8144 -46.8144 -23.6967 -23.6967 -23.5841 -23.5841 -23.1214 -23.1214 -23.0541 -23.0541 -22.7821 -22.7821 -22.6448 -22.6448 -17.4976 -17.4976 -9.5031 -9.5031 -4.1482 -4.1482 -2.3727 -2.3727 -2.0282 -2.0282 -0.0787 -0.0787 0.3282 0.3282 4.6227 4.6227 5.2304 5.2304 5.2389 5.2389 7.0216 7.0216 7.5791 7.5791 8.2030 8.2030 8.2986 8.2986 8.9775 8.9775 9.1898 9.1898 10.4098 10.4098 11.0594 11.0594 11.2367 11.2367 11.3536 11.3536 11.8367 11.8367 12.0458 12.0458 k = 0.0000 0.2308 0.2781 ( 9710 PWs) bands (ev): -46.8950 -46.8950 -46.8158 -46.8158 -23.6947 -23.6947 -23.5856 -23.5856 -23.1198 -23.1198 -23.0546 -23.0546 -22.7826 -22.7826 -22.6494 -22.6494 -17.4956 -17.4956 -9.4828 -9.4828 -4.1546 -4.1546 -2.3834 -2.3834 -2.0294 -2.0294 -0.0795 -0.0795 0.3550 0.3550 4.5535 4.5535 5.1961 5.1961 5.2196 5.2196 7.0372 7.0372 7.5772 7.5772 8.1943 8.1943 8.2326 8.2326 8.9794 8.9794 9.2039 9.2039 10.4796 10.4796 11.0705 11.0705 11.2496 11.2496 11.3197 11.3197 11.8358 11.8358 12.0817 12.0817 k = 0.0000 0.2436 0.2781 ( 9714 PWs) bands (ev): -46.8935 -46.8935 -46.8172 -46.8172 -23.6927 -23.6927 -23.5871 -23.5871 -23.1181 -23.1181 -23.0551 -23.0551 -22.7829 -22.7829 -22.6542 -22.6542 -17.4936 -17.4936 -9.4622 -9.4622 -4.1612 -4.1612 -2.3947 -2.3947 -2.0292 -2.0292 -0.0805 -0.0805 0.3817 0.3817 4.4846 4.4846 5.1567 5.1567 5.2050 5.2050 7.0527 7.0527 7.5784 7.5784 8.1213 8.1213 8.2346 8.2346 8.9817 8.9817 9.2096 9.2096 10.5512 10.5512 11.0815 11.0815 11.2657 11.2657 11.2869 11.2869 11.8273 11.8273 12.1182 12.1182 k = 0.0000 0.2564 0.2781 ( 9718 PWs) bands (ev): -46.8920 -46.8920 -46.8187 -46.8187 -23.6906 -23.6906 -23.5888 -23.5888 -23.1164 -23.1164 -23.0556 -23.0556 -22.7832 -22.7832 -22.6591 -22.6591 -17.4915 -17.4915 -9.4414 -9.4414 -4.1681 -4.1681 -2.4064 -2.4064 -2.0277 -2.0277 -0.0817 -0.0817 0.4082 0.4082 4.4164 4.4164 5.1169 5.1169 5.1907 5.1907 7.0680 7.0680 7.5827 7.5827 8.0428 8.0428 8.2460 8.2460 8.9844 8.9844 9.2071 9.2071 10.6246 10.6246 11.0924 11.0924 11.2495 11.2495 11.2914 11.2914 11.8123 11.8123 12.1552 12.1552 k = 0.0000 0.2692 0.2781 ( 9720 PWs) bands (ev): -46.8904 -46.8904 -46.8202 -46.8202 -23.6884 -23.6884 -23.5905 -23.5905 -23.1146 -23.1146 -23.0561 -23.0561 -22.7834 -22.7834 -22.6641 -22.6641 -17.4895 -17.4895 -9.4206 -9.4206 -4.1753 -4.1753 -2.4182 -2.4182 -2.0251 -2.0251 -0.0832 -0.0832 0.4342 0.4342 4.3494 4.3494 5.0773 5.0773 5.1767 5.1767 7.0828 7.0828 7.5897 7.5897 7.9675 7.9675 8.2583 8.2583 8.9873 8.9873 9.1966 9.1966 10.6995 10.6995 11.1031 11.1031 11.2162 11.2162 11.3186 11.3186 11.7918 11.7918 12.1926 12.1926 k = 0.0000 0.2821 0.2781 ( 9724 PWs) bands (ev): -46.8888 -46.8888 -46.8218 -46.8218 -23.6861 -23.6861 -23.5923 -23.5923 -23.1129 -23.1129 -23.0566 -23.0566 -22.7834 -22.7834 -22.6692 -22.6692 -17.4875 -17.4875 -9.3999 -9.3999 -4.1826 -4.1826 -2.4301 -2.4301 -2.0215 -2.0215 -0.0848 -0.0848 0.4598 0.4598 4.2839 4.2839 5.0381 5.0381 5.1629 5.1629 7.0971 7.0971 7.5992 7.5992 7.8964 7.8964 8.2709 8.2709 8.9902 8.9902 9.1790 9.1790 10.7760 10.7760 11.1132 11.1132 11.1835 11.1835 11.3513 11.3513 11.7670 11.7670 12.2305 12.2305 k = 0.0000 0.2949 0.2781 ( 9714 PWs) bands (ev): -46.8871 -46.8871 -46.8235 -46.8235 -23.6838 -23.6838 -23.5942 -23.5942 -23.1112 -23.1112 -23.0570 -23.0570 -22.7833 -22.7833 -22.6744 -22.6744 -17.4855 -17.4855 -9.3794 -9.3794 -4.1900 -4.1900 -2.4418 -2.4418 -2.0172 -2.0172 -0.0867 -0.0867 0.4846 0.4846 4.2202 4.2202 4.9995 4.9995 5.1495 5.1495 7.1104 7.1104 7.6107 7.6107 7.8303 7.8303 8.2835 8.2835 8.9926 8.9926 9.1553 9.1553 10.8537 10.8537 11.1209 11.1209 11.1535 11.1535 11.3890 11.3890 11.7389 11.7389 12.2687 12.2687 k = 0.0000 0.3077 0.2781 ( 9706 PWs) bands (ev): -46.8853 -46.8853 -46.8252 -46.8252 -23.6814 -23.6814 -23.5961 -23.5961 -23.1095 -23.1095 -23.0575 -23.0575 -22.7831 -22.7831 -22.6796 -22.6796 -17.4836 -17.4836 -9.3593 -9.3593 -4.1975 -4.1975 -2.4531 -2.4531 -2.0123 -2.0123 -0.0887 -0.0887 0.5087 0.5087 4.1588 4.1588 4.9619 4.9619 5.1366 5.1366 7.1226 7.1226 7.6233 7.6233 7.7703 7.7703 8.2959 8.2959 8.9936 8.9936 9.1272 9.1272 10.9325 10.9325 11.1111 11.1111 11.1418 11.1418 11.4311 11.4311 11.7085 11.7085 12.3073 12.3073 k = 0.0000 0.3205 0.2781 ( 9704 PWs) bands (ev): -46.8835 -46.8835 -46.8270 -46.8270 -23.6790 -23.6790 -23.5981 -23.5981 -23.1078 -23.1078 -23.0580 -23.0580 -22.7826 -22.7826 -22.6848 -22.6848 -17.4817 -17.4817 -9.3397 -9.3397 -4.2049 -4.2049 -2.4640 -2.4640 -2.0070 -2.0070 -0.0909 -0.0909 0.5320 0.5320 4.0999 4.0999 4.9255 4.9255 5.1241 5.1241 7.1332 7.1332 7.6335 7.6335 7.7202 7.7202 8.3081 8.3081 8.9913 8.9913 9.0975 9.0975 11.0123 11.0123 11.0836 11.0836 11.1488 11.1488 11.4768 11.4768 11.6767 11.6767 12.3461 12.3461 k = 0.0000 0.3333 0.2781 ( 9712 PWs) bands (ev): -46.8817 -46.8817 -46.8288 -46.8288 -23.6765 -23.6765 -23.6002 -23.6002 -23.1062 -23.1062 -23.0584 -23.0584 -22.7820 -22.7820 -22.6901 -22.6901 -17.4799 -17.4799 -9.3208 -9.3208 -4.2123 -4.2123 -2.4743 -2.4743 -2.0014 -2.0014 -0.0933 -0.0933 0.5542 0.5542 4.0439 4.0439 4.8906 4.8906 5.1123 5.1123 7.1419 7.1419 7.6265 7.6265 7.6949 7.6949 8.3200 8.3200 8.9811 8.9811 9.0715 9.0715 11.0545 11.0545 11.0934 11.0934 11.1578 11.1578 11.5255 11.5255 11.6444 11.6444 12.3851 12.3851 k = 0.0000 0.3462 0.2781 ( 9692 PWs) bands (ev): -46.8798 -46.8798 -46.8306 -46.8306 -23.6740 -23.6740 -23.6023 -23.6023 -23.1046 -23.1046 -23.0588 -23.0588 -22.7812 -22.7812 -22.6954 -22.6954 -17.4781 -17.4781 -9.3026 -9.3026 -4.2195 -4.2195 -2.4840 -2.4840 -1.9957 -1.9957 -0.0957 -0.0957 0.5753 0.5753 3.9909 3.9909 4.8573 4.8573 5.1010 5.1010 7.1482 7.1482 7.5947 7.5947 7.7023 7.7023 8.3315 8.3315 8.9576 8.9576 9.0557 9.0557 11.0270 11.0270 11.1660 11.1660 11.1756 11.1756 11.5754 11.5754 11.6130 11.6130 12.4242 12.4242 k = 0.0000 0.3590 0.2781 ( 9694 PWs) bands (ev): -46.8779 -46.8779 -46.8325 -46.8325 -23.6715 -23.6715 -23.6045 -23.6045 -23.1032 -23.1032 -23.0592 -23.0592 -22.7801 -22.7801 -22.7006 -22.7006 -17.4765 -17.4765 -9.2854 -9.2854 -4.2264 -4.2264 -2.4930 -2.4930 -1.9899 -1.9899 -0.0983 -0.0983 0.5952 0.5952 3.9413 3.9413 4.8258 4.8258 5.0905 5.0905 7.1519 7.1519 7.5590 7.5590 7.7215 7.7215 8.3424 8.3424 8.9215 8.9215 9.0499 9.0499 11.0009 11.0009 11.1756 11.1756 11.2567 11.2567 11.5784 11.5784 11.6306 11.6306 12.4627 12.4627 k = 0.0000 0.3718 0.2781 ( 9698 PWs) bands (ev): -46.8759 -46.8759 -46.8344 -46.8344 -23.6690 -23.6690 -23.6067 -23.6067 -23.1018 -23.1018 -23.0596 -23.0596 -22.7789 -22.7789 -22.7058 -22.7058 -17.4750 -17.4750 -9.2692 -9.2692 -4.2331 -4.2331 -2.5013 -2.5013 -1.9842 -1.9842 -0.1008 -0.1008 0.6137 0.6137 3.8953 3.8953 4.7964 4.7964 5.0807 5.0807 7.1525 7.1525 7.5273 7.5273 7.7448 7.7448 8.3528 8.3528 8.8786 8.8786 9.0495 9.0495 10.9765 10.9765 11.1841 11.1841 11.3388 11.3388 11.5485 11.5485 11.6828 11.6828 12.4500 12.4500 k = 0.0000 0.3846 0.2781 ( 9692 PWs) bands (ev): -46.8739 -46.8739 -46.8364 -46.8364 -23.6665 -23.6665 -23.6089 -23.6089 -23.1005 -23.1005 -23.0599 -23.0599 -22.7774 -22.7774 -22.7109 -22.7109 -17.4736 -17.4736 -9.2541 -9.2541 -4.2393 -4.2393 -2.5088 -2.5088 -1.9788 -1.9788 -0.1033 -0.1033 0.6308 0.6308 3.8531 3.8531 4.7692 4.7692 5.0716 5.0716 7.1501 7.1501 7.5011 7.5011 7.7701 7.7701 8.3625 8.3625 8.8326 8.8326 9.0512 9.0512 10.9540 10.9540 11.1922 11.1922 11.4205 11.4205 11.5202 11.5202 11.7351 11.7351 12.4246 12.4246 k = 0.0000 0.3974 0.2781 ( 9692 PWs) bands (ev): -46.8719 -46.8719 -46.8384 -46.8384 -23.6640 -23.6640 -23.6111 -23.6111 -23.0993 -23.0993 -23.0603 -23.0603 -22.7757 -22.7757 -22.7160 -22.7160 -17.4723 -17.4723 -9.2403 -9.2403 -4.2452 -4.2452 -2.5154 -2.5154 -1.9736 -1.9736 -0.1058 -0.1058 0.6464 0.6464 3.8148 3.8148 4.7444 4.7444 5.0635 5.0635 7.1448 7.1448 7.4807 7.4807 7.7968 7.7968 8.3715 8.3715 8.7856 8.7856 9.0539 9.0539 10.9335 10.9335 11.1998 11.1998 11.4839 11.4839 11.5122 11.5122 11.7861 11.7861 12.4016 12.4016 k = 0.0000 0.4103 0.2781 ( 9698 PWs) bands (ev): -46.8698 -46.8698 -46.8404 -46.8404 -23.6615 -23.6615 -23.6133 -23.6133 -23.0982 -23.0982 -23.0605 -23.0605 -22.7737 -22.7737 -22.7209 -22.7209 -17.4711 -17.4711 -9.2279 -9.2279 -4.2505 -4.2505 -2.5214 -2.5214 -1.9688 -1.9688 -0.1081 -0.1081 0.6604 0.6604 3.7806 3.7806 4.7222 4.7222 5.0561 5.0561 7.1373 7.1373 7.4656 7.4656 7.8241 7.8241 8.3797 8.3797 8.7391 8.7391 9.0568 9.0568 10.9153 10.9153 11.2068 11.2068 11.4650 11.4650 11.5886 11.5886 11.8347 11.8347 12.3811 12.3811 k = 0.0000 0.4231 0.2781 ( 9702 PWs) bands (ev): -46.8678 -46.8678 -46.8424 -46.8424 -23.6592 -23.6592 -23.6154 -23.6154 -23.0973 -23.0973 -23.0608 -23.0608 -22.7716 -22.7716 -22.7257 -22.7257 -17.4701 -17.4701 -9.2169 -9.2169 -4.2552 -4.2552 -2.5265 -2.5265 -1.9645 -1.9645 -0.1102 -0.1102 0.6727 0.6727 3.7508 3.7508 4.7027 4.7027 5.0497 5.0497 7.1284 7.1284 7.4549 7.4549 7.8514 7.8514 8.3871 8.3871 8.6941 8.6941 9.0597 9.0597 10.8992 10.8992 11.2132 11.2132 11.4431 11.4431 11.6702 11.6702 11.8798 11.8798 12.3631 12.3631 k = 0.0000 0.4359 0.2781 ( 9702 PWs) bands (ev): -46.8657 -46.8657 -46.8445 -46.8445 -23.6570 -23.6570 -23.6175 -23.6175 -23.0965 -23.0965 -23.0610 -23.0610 -22.7692 -22.7692 -22.7303 -22.7303 -17.4692 -17.4692 -9.2075 -9.2075 -4.2593 -4.2593 -2.5308 -2.5308 -1.9607 -1.9607 -0.1121 -0.1121 0.6832 0.6832 3.7253 3.7253 4.6859 4.6859 5.0443 5.0443 7.1191 7.1191 7.4478 7.4478 7.8779 7.8779 8.3937 8.3937 8.6519 8.6519 9.0624 9.0624 10.8855 10.8855 11.2189 11.2189 11.4236 11.4236 11.7516 11.7516 11.9204 11.9204 12.3478 12.3478 k = 0.0000 0.4487 0.2781 ( 9696 PWs) bands (ev): -46.8636 -46.8636 -46.8466 -46.8466 -23.6549 -23.6549 -23.6194 -23.6194 -23.0958 -23.0958 -23.0612 -23.0612 -22.7667 -22.7667 -22.7348 -22.7348 -17.4685 -17.4685 -9.1997 -9.1997 -4.2627 -4.2627 -2.5343 -2.5343 -1.9575 -1.9575 -0.1137 -0.1137 0.6920 0.6920 3.7043 3.7043 4.6720 4.6720 5.0398 5.0398 7.1103 7.1103 7.4432 7.4432 7.9025 7.9025 8.3994 8.3994 8.6138 8.6138 9.0648 9.0648 10.8743 10.8743 11.2239 11.2239 11.4071 11.4071 11.8324 11.8324 11.9554 11.9554 12.3352 12.3352 k = 0.0000 0.4615 0.2781 ( 9686 PWs) bands (ev): -46.8615 -46.8615 -46.8487 -46.8487 -23.6531 -23.6531 -23.6210 -23.6210 -23.0953 -23.0953 -23.0613 -23.0613 -22.7640 -22.7640 -22.7389 -22.7389 -17.4679 -17.4679 -9.1935 -9.1935 -4.2654 -4.2654 -2.5370 -2.5370 -1.9550 -1.9550 -0.1150 -0.1150 0.6988 0.6988 3.6879 3.6879 4.6612 4.6612 5.0362 5.0362 7.1026 7.1026 7.4405 7.4405 7.9241 7.9241 8.4043 8.4043 8.5812 8.5812 9.0666 9.0666 10.8654 10.8654 11.2281 11.2281 11.3938 11.3938 11.9121 11.9121 11.9838 11.9838 12.3250 12.3250 k = 0.0000 0.4744 0.2781 ( 9678 PWs) bands (ev): -46.8593 -46.8593 -46.8508 -46.8508 -23.6517 -23.6517 -23.6223 -23.6223 -23.0949 -23.0949 -23.0614 -23.0614 -22.7613 -22.7613 -22.7427 -22.7427 -17.4675 -17.4675 -9.1891 -9.1891 -4.2674 -4.2674 -2.5390 -2.5390 -1.9532 -1.9532 -0.1160 -0.1160 0.7037 0.7037 3.6761 3.6761 4.6534 4.6534 5.0337 5.0337 7.0968 7.0968 7.4389 7.4389 7.9410 7.9410 8.4081 8.4081 8.5559 8.5559 9.0680 9.0680 10.8591 10.8591 11.2313 11.2313 11.3841 11.3841 11.9899 11.9899 12.0052 12.0052 12.2965 12.2965 k = 0.0000 0.4872 0.2781 ( 9684 PWs) bands (ev): -46.8572 -46.8572 -46.8529 -46.8529 -23.6508 -23.6508 -23.6232 -23.6232 -23.0947 -23.0947 -23.0614 -23.0614 -22.7590 -22.7590 -22.7456 -22.7456 -17.4672 -17.4672 -9.1864 -9.1864 -4.2686 -4.2686 -2.5401 -2.5401 -1.9521 -1.9521 -0.1166 -0.1166 0.7067 0.7067 3.6690 3.6690 4.6487 4.6487 5.0322 5.0322 7.0932 7.0932 7.4381 7.4381 7.9520 7.9520 8.4107 8.4107 8.5395 8.5395 9.0689 9.0689 10.8553 10.8553 11.2333 11.2333 11.3781 11.3781 12.0170 12.0170 12.0665 12.0665 12.2267 12.2267 k = 0.0000 0.5000 0.2781 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1855 -9.1855 -4.2690 -4.2690 -2.5405 -2.5405 -1.9517 -1.9517 -0.1168 -0.1168 0.7076 0.7076 3.6667 3.6667 4.6471 4.6471 5.0317 5.0317 7.0919 7.0919 7.4379 7.4379 7.9558 7.9558 8.4117 8.4117 8.5339 8.5339 9.0692 9.0692 10.8540 10.8540 11.2339 11.2339 11.3761 11.3761 12.0214 12.0214 12.1208 12.1208 12.1740 12.1740 k = 0.0000 0.5000 0.2781 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1855 -9.1855 -4.2690 -4.2690 -2.5405 -2.5405 -1.9517 -1.9517 -0.1168 -0.1168 0.7076 0.7076 3.6667 3.6667 4.6471 4.6471 5.0317 5.0317 7.0919 7.0919 7.4379 7.4379 7.9558 7.9558 8.4117 8.4117 8.5339 8.5339 9.0692 9.0692 10.8540 10.8540 11.2339 11.2339 11.3761 11.3761 12.0214 12.0214 12.1208 12.1208 12.1740 12.1740 k = 0.0128 0.5000 0.2781 ( 9688 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6515 -23.6515 -23.6228 -23.6228 -23.0958 -23.0958 -23.0602 -23.0602 -22.7617 -22.7617 -22.7431 -22.7431 -17.4671 -17.4671 -9.1848 -9.1848 -4.2690 -4.2690 -2.5403 -2.5403 -1.9524 -1.9524 -0.1159 -0.1159 0.7071 0.7071 3.6659 3.6659 4.6471 4.6471 5.0278 5.0278 7.0917 7.0917 7.4392 7.4392 7.9564 7.9564 8.4111 8.4111 8.5318 8.5318 9.0644 9.0644 10.8562 10.8562 11.2293 11.2293 11.3730 11.3730 12.0232 12.0232 12.1250 12.1250 12.1765 12.1765 k = 0.0256 0.5000 0.2781 ( 9684 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6541 -23.6541 -23.6209 -23.6209 -23.0989 -23.0989 -23.0568 -23.0568 -22.7682 -22.7682 -22.7363 -22.7363 -17.4668 -17.4668 -9.1825 -9.1825 -4.2689 -4.2689 -2.5397 -2.5397 -1.9546 -1.9546 -0.1133 -0.1133 0.7053 0.7053 3.6636 3.6636 4.6470 4.6470 5.0163 5.0163 7.0910 7.0910 7.4432 7.4432 7.9582 7.9582 8.4093 8.4093 8.5256 8.5256 9.0500 9.0500 10.8627 10.8627 11.2161 11.2161 11.3637 11.3637 12.0285 12.0285 12.1372 12.1372 12.1839 12.1839 k = 0.0385 0.5000 0.2781 ( 9684 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6580 -23.6580 -23.6183 -23.6183 -23.1032 -23.1032 -23.0520 -23.0520 -22.7751 -22.7751 -22.7290 -22.7290 -17.4665 -17.4665 -9.1787 -9.1787 -4.2689 -4.2689 -2.5386 -2.5386 -1.9581 -1.9581 -0.1090 -0.1090 0.7024 0.7024 3.6597 3.6597 4.6469 4.6469 4.9973 4.9973 7.0898 7.0898 7.4498 7.4498 7.9612 7.9612 8.4061 8.4061 8.5156 8.5156 9.0262 9.0262 10.8735 10.8735 11.1957 11.1957 11.3486 11.3486 12.0371 12.0371 12.1558 12.1558 12.1961 12.1961 k = 0.0513 0.5000 0.2781 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6626 -23.6626 -23.6154 -23.6154 -23.1080 -23.1080 -23.0466 -23.0466 -22.7820 -22.7820 -22.7215 -22.7215 -17.4659 -17.4659 -9.1734 -9.1734 -4.2688 -4.2688 -2.5372 -2.5372 -1.9630 -1.9630 -0.1029 -0.1029 0.6984 0.6984 3.6543 3.6543 4.6468 4.6468 4.9710 4.9710 7.0881 7.0881 7.4591 7.4591 7.9654 7.9654 8.4012 8.4012 8.5022 8.5022 8.9932 8.9932 10.8886 10.8886 11.1702 11.1702 11.3283 11.3283 12.0489 12.0489 12.1792 12.1792 12.2128 12.2128 k = 0.0641 0.5000 0.2781 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6678 -23.6678 -23.6124 -23.6124 -23.1131 -23.1131 -23.0407 -23.0407 -22.7889 -22.7889 -22.7140 -22.7140 -17.4653 -17.4653 -9.1667 -9.1667 -4.2687 -4.2687 -2.5354 -2.5354 -1.9691 -1.9691 -0.0951 -0.0951 0.6932 0.6932 3.6474 3.6474 4.6465 4.6465 4.9378 4.9378 7.0857 7.0857 7.4710 7.4710 7.9708 7.9708 8.3940 8.3940 8.4865 8.4865 8.9516 8.9516 10.9079 10.9079 11.1417 11.1417 11.3035 11.3035 12.0635 12.0635 12.2054 12.2054 12.2325 12.2325 k = 0.0769 0.5000 0.2781 ( 9684 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6733 -23.6733 -23.6095 -23.6095 -23.1183 -23.1183 -23.0347 -23.0347 -22.7955 -22.7955 -22.7064 -22.7064 -17.4645 -17.4645 -9.1585 -9.1585 -4.2687 -4.2687 -2.5332 -2.5332 -1.9764 -1.9764 -0.0857 -0.0857 0.6870 0.6870 3.6391 3.6391 4.6462 4.6462 4.8980 4.8980 7.0826 7.0826 7.4854 7.4854 7.9772 7.9772 8.3832 8.3832 8.4697 8.4697 8.9017 8.9017 10.9312 10.9312 11.1119 11.1119 11.2748 11.2748 12.0805 12.0805 12.2305 12.2305 12.2333 12.2333 k = 0.0897 0.5000 0.2781 ( 9680 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6792 -23.6792 -23.6067 -23.6067 -23.1234 -23.1234 -23.0285 -23.0285 -22.8020 -22.8020 -22.6989 -22.6989 -17.4635 -17.4635 -9.1490 -9.1490 -4.2686 -4.2686 -2.5307 -2.5307 -1.9848 -1.9848 -0.0747 -0.0747 0.6796 0.6796 3.6293 3.6293 4.6457 4.6457 4.8523 4.8523 7.0786 7.0786 7.5022 7.5022 7.9847 7.9847 8.3673 8.3673 8.4537 8.4537 8.8443 8.8443 10.9585 10.9585 11.0824 11.0824 11.2431 11.2431 12.0992 12.0992 12.2132 12.2132 12.2621 12.2621 k = 0.1026 0.5000 0.2781 ( 9688 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6854 -23.6854 -23.6040 -23.6040 -23.1284 -23.1284 -23.0224 -23.0224 -22.8082 -22.8082 -22.6914 -22.6914 -17.4625 -17.4625 -9.1381 -9.1381 -4.2686 -4.2686 -2.5279 -2.5279 -1.9942 -1.9942 -0.0620 -0.0620 0.6713 0.6713 3.6182 3.6182 4.6451 4.6451 4.8009 4.8009 7.0737 7.0737 7.5215 7.5215 7.9931 7.9931 8.3453 8.3453 8.4400 8.4400 8.7803 8.7803 10.9895 10.9895 11.0542 11.0542 11.2088 11.2088 12.1185 12.1185 12.1972 12.1972 12.2918 12.2918 k = 0.1154 0.5000 0.2781 ( 9700 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6918 -23.6918 -23.6016 -23.6016 -23.1333 -23.1333 -23.0163 -23.0163 -22.8142 -22.8142 -22.6839 -22.6839 -17.4613 -17.4613 -9.1259 -9.1259 -4.2687 -4.2687 -2.5249 -2.5249 -2.0044 -2.0044 -0.0478 -0.0478 0.6620 0.6620 3.6058 3.6058 4.6444 4.6444 4.7446 4.7446 7.0679 7.0679 7.5431 7.5431 8.0025 8.0025 8.3171 8.3171 8.4290 8.4290 8.7104 8.7104 11.0201 11.0201 11.0318 11.0318 11.1728 11.1728 12.1358 12.1358 12.1856 12.1856 12.3218 12.3218 k = 0.1282 0.5000 0.2781 ( 9700 PWs) bands (ev): -46.8552 -46.8552 -46.8547 -46.8547 -23.6983 -23.6983 -23.5993 -23.5993 -23.1380 -23.1380 -23.0104 -23.0104 -22.8199 -22.8199 -22.6766 -22.6766 -17.4600 -17.4600 -9.1126 -9.1126 -4.2688 -4.2688 -2.5216 -2.5216 -2.0153 -2.0153 -0.0321 -0.0321 0.6517 0.6517 3.5922 3.5922 4.6434 4.6434 4.6838 4.6838 7.0610 7.0610 7.5668 7.5668 8.0127 8.0127 8.2839 8.2839 8.4198 8.4198 8.6360 8.6360 11.0018 11.0018 11.0637 11.0637 11.1356 11.1356 12.1442 12.1442 12.1851 12.1851 12.3517 12.3517 k = 0.1410 0.5000 0.2781 ( 9720 PWs) bands (ev): -46.8551 -46.8551 -46.8547 -46.8547 -23.7050 -23.7050 -23.5972 -23.5972 -23.1426 -23.1426 -23.0047 -23.0047 -22.8252 -22.8252 -22.6693 -22.6693 -17.4585 -17.4585 -9.0981 -9.0981 -4.2689 -4.2689 -2.5182 -2.5182 -2.0268 -2.0268 -0.0150 -0.0150 0.6405 0.6405 3.5773 3.5773 4.6191 4.6191 4.6422 4.6422 7.0531 7.0531 7.5925 7.5925 8.0237 8.0237 8.2467 8.2467 8.4113 8.4113 8.5584 8.5584 10.9794 10.9794 11.0944 11.0944 11.1079 11.1079 12.1401 12.1401 12.1987 12.1987 12.3811 12.3811 k = 0.1538 0.5000 0.2781 ( 9728 PWs) bands (ev): -46.8551 -46.8551 -46.8547 -46.8547 -23.7118 -23.7118 -23.5952 -23.5952 -23.1470 -23.1470 -22.9993 -22.9993 -22.8301 -22.8301 -22.6621 -22.6621 -17.4570 -17.4570 -9.0826 -9.0826 -4.2692 -4.2692 -2.5146 -2.5146 -2.0386 -2.0386 0.0036 0.0036 0.6285 0.6285 3.5614 3.5614 4.5511 4.5511 4.6408 4.6408 7.0440 7.0440 7.6198 7.6198 8.0350 8.0350 8.2067 8.2067 8.4009 8.4009 8.4809 8.4809 10.9588 10.9588 11.0578 11.0578 11.1503 11.1503 12.1324 12.1324 12.2170 12.2170 12.4098 12.4098 k = 0.1667 0.5000 0.2781 ( 9724 PWs) bands (ev): -46.8550 -46.8550 -46.8546 -46.8546 -23.7187 -23.7187 -23.5935 -23.5935 -23.1511 -23.1511 -22.9941 -22.9941 -22.8347 -22.8347 -22.6551 -22.6551 -17.4554 -17.4554 -9.0662 -9.0662 -4.2696 -4.2696 -2.5110 -2.5110 -2.0507 -2.0507 0.0234 0.0234 0.6158 0.6158 3.5444 3.5444 4.4804 4.4804 4.6392 4.6392 7.0340 7.0340 7.6483 7.6483 8.0461 8.0461 8.1650 8.1650 8.3711 8.3711 8.4222 8.4222 10.9397 10.9397 11.0191 11.0191 11.1974 11.1974 12.1251 12.1251 12.2355 12.2355 12.4378 12.4378 k = 0.1795 0.5000 0.2781 ( 9724 PWs) bands (ev): -46.8550 -46.8550 -46.8546 -46.8546 -23.7256 -23.7256 -23.5919 -23.5919 -23.1551 -23.1551 -22.9894 -22.9894 -22.8388 -22.8388 -22.6482 -22.6482 -17.4538 -17.4538 -9.0488 -9.0488 -4.2701 -4.2701 -2.5075 -2.5075 -2.0627 -2.0627 0.0444 0.0444 0.6023 0.6023 3.5265 3.5265 4.4075 4.4075 4.6373 4.6373 7.0229 7.0229 7.6772 7.6772 8.0544 8.0544 8.1246 8.1246 8.3008 8.3008 8.4049 8.4049 10.9217 10.9217 10.9806 10.9806 11.2469 11.2469 12.1190 12.1190 12.2527 12.2527 12.4651 12.4651 k = 0.1923 0.5000 0.2781 ( 9716 PWs) bands (ev): -46.8549 -46.8549 -46.8546 -46.8546 -23.7325 -23.7325 -23.5905 -23.5905 -23.1589 -23.1589 -22.9850 -22.9850 -22.8424 -22.8424 -22.6414 -22.6414 -17.4520 -17.4520 -9.0307 -9.0307 -4.2707 -4.2707 -2.5040 -2.5040 -2.0747 -2.0747 0.0665 0.0665 0.5882 0.5882 3.5077 3.5077 4.3329 4.3329 4.6351 4.6351 7.0109 7.0109 7.7051 7.7051 8.0463 8.0463 8.0993 8.0993 8.2236 8.2236 8.3976 8.3976 10.9040 10.9040 10.9430 10.9430 11.2985 11.2985 12.1143 12.1143 12.2679 12.2679 12.4920 12.4920 k = 0.2051 0.5000 0.2781 ( 9720 PWs) bands (ev): -46.8549 -46.8549 -46.8546 -46.8546 -23.7394 -23.7394 -23.5893 -23.5893 -23.1625 -23.1625 -22.9811 -22.9811 -22.8454 -22.8454 -22.6348 -22.6348 -17.4502 -17.4502 -9.0120 -9.0120 -4.2715 -4.2715 -2.5006 -2.5006 -2.0863 -2.0863 0.0897 0.0897 0.5735 0.5735 3.4882 3.4882 4.2572 4.2572 4.6327 4.6327 6.9980 6.9980 7.7288 7.7288 8.0104 8.0104 8.0997 8.0997 8.1523 8.1523 8.3922 8.3922 10.8847 10.8847 10.9081 10.9081 11.3516 11.3516 12.1111 12.1111 12.2809 12.2809 12.5183 12.5183 k = 0.2179 0.5000 0.2781 ( 9728 PWs) bands (ev): -46.8549 -46.8549 -46.8545 -46.8545 -23.7463 -23.7463 -23.5882 -23.5882 -23.1659 -23.1659 -22.9777 -22.9777 -22.8479 -22.8479 -22.6284 -22.6284 -17.4484 -17.4484 -8.9927 -8.9927 -4.2724 -4.2724 -2.4975 -2.4975 -2.0975 -2.0975 0.1138 0.1138 0.5584 0.5584 3.4679 3.4679 4.1808 4.1808 4.6301 4.6301 6.9843 6.9843 7.7419 7.7419 7.9685 7.9685 8.0767 8.0767 8.1228 8.1228 8.3877 8.3877 10.8578 10.8578 10.8815 10.8815 11.4060 11.4060 12.1092 12.1092 12.2914 12.2914 12.5442 12.5442 k = 0.2308 0.5000 0.2781 ( 9728 PWs) bands (ev): -46.8548 -46.8548 -46.8545 -46.8545 -23.7531 -23.7531 -23.5873 -23.5873 -23.1691 -23.1691 -22.9749 -22.9749 -22.8498 -22.8498 -22.6222 -22.6222 -17.4465 -17.4465 -8.9730 -8.9730 -4.2735 -4.2735 -2.4947 -2.4947 -2.1081 -2.1081 0.1387 0.1387 0.5430 0.5430 3.4472 3.4472 4.1043 4.1043 4.6272 4.6272 6.9699 6.9699 7.7331 7.7331 7.9328 7.9328 8.0307 8.0307 8.1347 8.1347 8.3839 8.3839 10.8241 10.8241 10.8624 10.8624 11.4612 11.4612 12.1083 12.1083 12.2996 12.2996 12.5696 12.5696 k = 0.2436 0.5000 0.2781 ( 9740 PWs) bands (ev): -46.8548 -46.8548 -46.8545 -46.8545 -23.7599 -23.7599 -23.5865 -23.5865 -23.1721 -23.1721 -22.9726 -22.9726 -22.8512 -22.8512 -22.6162 -22.6162 -17.4446 -17.4446 -8.9530 -8.9530 -4.2748 -4.2748 -2.4923 -2.4923 -2.1179 -2.1179 0.1642 0.1642 0.5272 0.5272 3.4259 3.4259 4.0282 4.0282 4.6241 4.6241 6.9550 6.9550 7.6950 7.6950 7.9011 7.9011 8.0093 8.0093 8.1508 8.1508 8.3806 8.3806 10.7892 10.7892 10.8448 10.8448 11.5168 11.5168 12.1085 12.1085 12.3055 12.3055 12.5945 12.5945 k = 0.2564 0.5000 0.2781 ( 9752 PWs) bands (ev): -46.8547 -46.8547 -46.8544 -46.8544 -23.7664 -23.7664 -23.5858 -23.5858 -23.1749 -23.1749 -22.9709 -22.9709 -22.8519 -22.8519 -22.6104 -22.6104 -17.4427 -17.4427 -8.9328 -8.9328 -4.2762 -4.2762 -2.4904 -2.4904 -2.1268 -2.1268 0.1903 0.1903 0.5112 0.5112 3.4043 3.4043 3.9528 3.9528 4.6208 4.6208 6.9396 6.9396 7.6355 7.6355 7.8634 7.8634 8.0176 8.0176 8.1685 8.1685 8.3779 8.3779 10.7548 10.7548 10.8269 10.8269 11.5724 11.5724 12.1094 12.1094 12.3093 12.3093 12.6189 12.6189 k = 0.2692 0.5000 0.2781 ( 9760 PWs) bands (ev): -46.8547 -46.8547 -46.8544 -46.8544 -23.7729 -23.7729 -23.5853 -23.5853 -23.1776 -23.1776 -22.9697 -22.9697 -22.8522 -22.8522 -22.6049 -22.6049 -17.4408 -17.4408 -8.9126 -8.9126 -4.2777 -4.2777 -2.4889 -2.4889 -2.1348 -2.1348 0.2168 0.2168 0.4952 0.4952 3.3825 3.3825 3.8786 3.8786 4.6174 4.6174 6.9239 6.9239 7.5658 7.5658 7.8216 7.8216 8.0430 8.0430 8.1878 8.1878 8.3758 8.3758 10.7214 10.7214 10.8081 10.8081 11.6275 11.6275 12.1110 12.1110 12.3110 12.3110 12.6426 12.6426 k = 0.2821 0.5000 0.2781 ( 9764 PWs) bands (ev): -46.8546 -46.8546 -46.8544 -46.8544 -23.7791 -23.7791 -23.5848 -23.5848 -23.1800 -23.1800 -22.9689 -22.9689 -22.8519 -22.8519 -22.5995 -22.5995 -17.4390 -17.4390 -8.8925 -8.8925 -4.2794 -4.2794 -2.4879 -2.4879 -2.1418 -2.1418 0.2435 0.2435 0.4791 0.4791 3.3606 3.3606 3.8060 3.8060 4.6139 4.6139 6.9080 6.9080 7.4923 7.4923 7.7794 7.7794 8.0754 8.0754 8.2088 8.2088 8.3745 8.3745 10.6891 10.6891 10.7880 10.7880 11.6818 11.6818 12.1131 12.1131 12.3110 12.3110 12.6655 12.6655 k = 0.2949 0.5000 0.2781 ( 9748 PWs) bands (ev): -46.8546 -46.8546 -46.8544 -46.8544 -23.7852 -23.7852 -23.5844 -23.5844 -23.1823 -23.1823 -22.9686 -22.9686 -22.8512 -22.8512 -22.5945 -22.5945 -17.4371 -17.4371 -8.8726 -8.8726 -4.2812 -4.2812 -2.4875 -2.4875 -2.1476 -2.1476 0.2702 0.2702 0.4632 0.4632 3.3387 3.3387 3.7355 3.7355 4.6102 4.6102 6.8921 6.8921 7.4183 7.4183 7.7383 7.7383 8.1096 8.1096 8.2322 8.2322 8.3744 8.3744 10.6581 10.6581 10.7665 10.7665 11.7349 11.7349 12.1155 12.1155 12.3095 12.3095 12.6876 12.6876 k = 0.3077 0.5000 0.2781 ( 9752 PWs) bands (ev): -46.8545 -46.8545 -46.8543 -46.8543 -23.7910 -23.7910 -23.5841 -23.5841 -23.1844 -23.1844 -22.9687 -22.9687 -22.8501 -22.8501 -22.5896 -22.5896 -17.4353 -17.4353 -8.8530 -8.8530 -4.2831 -4.2831 -2.4875 -2.4875 -2.1524 -2.1524 0.2969 0.2969 0.4475 0.4475 3.3170 3.3170 3.6672 3.6672 4.6065 4.6065 6.8762 6.8762 7.3456 7.3456 7.6987 7.6987 8.1425 8.1425 8.2582 8.2582 8.3760 8.3760 10.6284 10.6284 10.7435 10.7435 11.7864 11.7864 12.1181 12.1181 12.3067 12.3067 12.7086 12.7086 k = 0.3205 0.5000 0.2781 ( 9748 PWs) bands (ev): -46.8545 -46.8545 -46.8543 -46.8543 -23.7966 -23.7966 -23.5839 -23.5839 -23.1864 -23.1864 -22.9691 -22.9691 -22.8488 -22.8488 -22.5851 -22.5851 -17.4335 -17.4335 -8.8340 -8.8340 -4.2851 -4.2851 -2.4881 -2.4881 -2.1562 -2.1562 0.3232 0.3232 0.4322 0.4322 3.2955 3.2955 3.6017 3.6017 4.6028 4.6028 6.8604 6.8604 7.2753 7.2753 7.6609 7.6609 8.1719 8.1719 8.2859 8.2859 8.3811 8.3811 10.6003 10.6003 10.7189 10.7189 11.8359 11.8359 12.1208 12.1208 12.3028 12.3028 12.7286 12.7286 k = 0.3333 0.5000 0.2781 ( 9752 PWs) bands (ev): -46.8544 -46.8544 -46.8543 -46.8543 -23.8019 -23.8019 -23.5837 -23.5837 -23.1882 -23.1882 -22.9697 -22.9697 -22.8473 -22.8473 -22.5808 -22.5808 -17.4319 -17.4319 -8.8155 -8.8155 -4.2872 -4.2872 -2.4891 -2.4891 -2.1590 -2.1590 0.3490 0.3490 0.4173 0.4173 3.2745 3.2745 3.5393 3.5393 4.5992 4.5992 6.8450 6.8450 7.2082 7.2082 7.6251 7.6251 8.1974 8.1974 8.3116 8.3116 8.3932 8.3932 10.5737 10.5737 10.6928 10.6928 11.8832 11.8832 12.1234 12.1234 12.2982 12.2982 12.7473 12.7473 k = 0.3462 0.5000 0.2781 ( 9752 PWs) bands (ev): -46.8544 -46.8544 -46.8543 -46.8543 -23.8068 -23.8068 -23.5836 -23.5836 -23.1898 -23.1898 -22.9705 -22.9705 -22.8456 -22.8456 -22.5768 -22.5768 -17.4302 -17.4302 -8.7979 -8.7979 -4.2893 -4.2893 -2.4904 -2.4904 -2.1609 -2.1609 0.3741 0.3741 0.4029 0.4029 3.2541 3.2541 3.4802 3.4802 4.5956 4.5956 6.8298 6.8298 7.1447 7.1447 7.5915 7.5915 8.2190 8.2190 8.3295 8.3295 8.4170 8.4170 10.5488 10.5488 10.6653 10.6653 11.9277 11.9277 12.1261 12.1261 12.2931 12.2931 12.7647 12.7647 k = 0.3590 0.5000 0.2781 ( 9752 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8115 -23.8115 -23.5836 -23.5836 -23.1913 -23.1913 -22.9714 -22.9714 -22.8439 -22.8439 -22.5732 -22.5732 -17.4287 -17.4287 -8.7810 -8.7810 -4.2913 -4.2913 -2.4921 -2.4921 -2.1620 -2.1620 0.3891 0.3891 0.3984 0.3984 3.2345 3.2345 3.4247 3.4247 4.5921 4.5921 6.8151 6.8151 7.0856 7.0856 7.5602 7.5602 8.2377 8.2377 8.3390 8.3390 8.4517 8.4517 10.5256 10.5256 10.6367 10.6367 11.9692 11.9692 12.1285 12.1285 12.2878 12.2878 12.7807 12.7807 k = 0.3718 0.5000 0.2781 ( 9748 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8158 -23.8158 -23.5835 -23.5835 -23.1927 -23.1927 -22.9724 -22.9724 -22.8422 -22.8422 -22.5698 -22.5698 -17.4273 -17.4273 -8.7652 -8.7652 -4.2934 -4.2934 -2.4939 -2.4939 -2.1625 -2.1625 0.3763 0.3763 0.4213 0.4213 3.2158 3.2158 3.3731 3.3731 4.5887 4.5887 6.8009 6.8009 7.0310 7.0310 7.5313 7.5313 8.2539 8.2539 8.3439 8.3439 8.4920 8.4920 10.5041 10.5041 10.6074 10.6074 12.0073 12.0073 12.1309 12.1309 12.2826 12.2826 12.7953 12.7953 k = 0.3846 0.5000 0.2781 ( 9756 PWs) bands (ev): -46.8543 -46.8543 -46.8542 -46.8542 -23.8198 -23.8198 -23.5835 -23.5835 -23.1939 -23.1939 -22.9734 -22.9734 -22.8405 -22.8405 -22.5667 -22.5667 -17.4260 -17.4260 -8.7505 -8.7505 -4.2953 -4.2953 -2.4959 -2.4959 -2.1625 -2.1625 0.3643 0.3643 0.4430 0.4430 3.1982 3.1982 3.3257 3.3257 4.5856 4.5856 6.7871 6.7871 6.9814 6.9814 7.5049 7.5049 8.2682 8.2682 8.3469 8.3469 8.5344 8.5344 10.4844 10.4844 10.5778 10.5778 12.0417 12.0417 12.1330 12.1330 12.2779 12.2779 12.8083 12.8083 k = 0.3974 0.5000 0.2781 ( 9748 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8234 -23.8234 -23.5835 -23.5835 -23.1950 -23.1950 -22.9743 -22.9743 -22.8388 -22.8388 -22.5639 -22.5639 -17.4247 -17.4247 -8.7371 -8.7371 -4.2972 -4.2972 -2.4978 -2.4978 -2.1620 -2.1620 0.3532 0.3532 0.4632 0.4632 3.1819 3.1819 3.2827 3.2827 4.5827 4.5827 6.7738 6.7738 6.9373 6.9373 7.4810 7.4810 8.2806 8.2806 8.3490 8.3490 8.5766 8.5766 10.4666 10.4666 10.5484 10.5484 12.0717 12.0717 12.1351 12.1351 12.2740 12.2740 12.8198 12.8198 k = 0.4103 0.5000 0.2781 ( 9756 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8266 -23.8266 -23.5836 -23.5836 -23.1959 -23.1959 -22.9753 -22.9753 -22.8373 -22.8373 -22.5614 -22.5614 -17.4237 -17.4237 -8.7249 -8.7249 -4.2989 -4.2989 -2.4997 -2.4997 -2.1613 -2.1613 0.3432 0.3432 0.4815 0.4815 3.1670 3.1670 3.2442 3.2442 4.5800 4.5800 6.7608 6.7608 6.8989 6.8989 7.4598 7.4598 8.2912 8.2912 8.3508 8.3508 8.6172 8.6172 10.4506 10.4506 10.5199 10.5199 12.0969 12.0969 12.1372 12.1372 12.2715 12.2715 12.8299 12.8299 k = 0.4231 0.5000 0.2781 ( 9748 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8294 -23.8294 -23.5836 -23.5836 -23.1967 -23.1967 -22.9761 -22.9761 -22.8360 -22.8360 -22.5593 -22.5593 -17.4227 -17.4227 -8.7142 -8.7142 -4.3005 -4.3005 -2.5015 -2.5015 -2.1604 -2.1604 0.3344 0.3344 0.4979 0.4979 3.1536 3.1536 3.2105 3.2105 4.5776 4.5776 6.7481 6.7481 6.8665 6.8665 7.4413 7.4413 8.3002 8.3002 8.3526 8.3526 8.6551 8.6551 10.4364 10.4364 10.4931 10.4931 12.1164 12.1164 12.1401 12.1401 12.2705 12.2705 12.8384 12.8384 k = 0.4359 0.5000 0.2781 ( 9736 PWs) bands (ev): -46.8542 -46.8542 -46.8542 -46.8542 -23.8318 -23.8318 -23.5837 -23.5837 -23.1974 -23.1974 -22.9768 -22.9768 -22.8348 -22.8348 -22.5575 -22.5575 -17.4219 -17.4219 -8.7050 -8.7050 -4.3019 -4.3019 -2.5032 -2.5032 -2.1595 -2.1595 0.3267 0.3267 0.5121 0.5121 3.1420 3.1420 3.1818 3.1818 4.5756 4.5756 6.7358 6.7358 6.8403 6.8403 7.4256 7.4256 8.3075 8.3075 8.3543 8.3543 8.6893 8.6893 10.4240 10.4240 10.4689 10.4689 12.1285 12.1285 12.1452 12.1452 12.2712 12.2712 12.8455 12.8455 k = 0.4487 0.5000 0.2781 ( 9732 PWs) bands (ev): -46.8542 -46.8542 -46.8541 -46.8541 -23.8338 -23.8338 -23.5837 -23.5837 -23.1979 -23.1979 -22.9775 -22.9775 -22.8338 -22.8338 -22.5560 -22.5560 -17.4212 -17.4212 -8.6973 -8.6973 -4.3031 -4.3031 -2.5045 -2.5045 -2.1586 -2.1586 0.3204 0.3204 0.5240 0.5240 3.1322 3.1322 3.1583 3.1583 4.5739 4.5739 6.7242 6.7242 6.8201 6.8201 7.4126 7.4126 8.3132 8.3132 8.3560 8.3560 8.7188 8.7188 10.4131 10.4131 10.4483 10.4483 12.1336 12.1336 12.1525 12.1525 12.2735 12.2735 12.8513 12.8513 k = 0.4615 0.5000 0.2781 ( 9728 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8353 -23.8353 -23.5837 -23.5837 -23.1983 -23.1983 -22.9780 -22.9780 -22.8330 -22.8330 -22.5548 -22.5548 -17.4207 -17.4207 -8.6913 -8.6913 -4.3040 -4.3040 -2.5057 -2.5057 -2.1579 -2.1579 0.3154 0.3154 0.5334 0.5334 3.1242 3.1242 3.1400 3.1400 4.5725 4.5725 6.7140 6.7140 6.8055 6.8055 7.4025 7.4025 8.3174 8.3174 8.3576 8.3576 8.7428 8.7428 10.4037 10.4037 10.4322 10.4322 12.1356 12.1356 12.1587 12.1587 12.2765 12.2765 12.8557 12.8557 k = 0.4744 0.5000 0.2781 ( 9724 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8364 -23.8364 -23.5838 -23.5838 -23.1986 -23.1986 -22.9783 -22.9783 -22.8324 -22.8324 -22.5540 -22.5540 -17.4203 -17.4203 -8.6870 -8.6870 -4.3047 -4.3047 -2.5065 -2.5065 -2.1573 -2.1573 0.3118 0.3118 0.5402 0.5402 3.1179 3.1179 3.1275 3.1275 4.5715 4.5715 6.7060 6.7060 6.7957 6.7957 7.3953 7.3953 8.3203 8.3203 8.3590 8.3590 8.7605 8.7605 10.3959 10.3959 10.4211 10.4211 12.1366 12.1366 12.1627 12.1627 12.2795 12.2795 12.8587 12.8587 k = 0.4872 0.5000 0.2781 ( 9724 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8371 -23.8371 -23.5838 -23.5838 -23.1988 -23.1988 -22.9785 -22.9785 -22.8321 -22.8321 -22.5535 -22.5535 -17.4200 -17.4200 -8.6844 -8.6844 -4.3051 -4.3051 -2.5070 -2.5070 -2.1569 -2.1569 0.3097 0.3097 0.5443 0.5443 3.1133 3.1133 3.1207 3.1207 4.5710 4.5710 6.7008 6.7008 6.7901 6.7901 7.3910 7.3910 8.3219 8.3219 8.3598 8.3598 8.7714 8.7714 10.3906 10.3906 10.4149 10.4149 12.1370 12.1370 12.1649 12.1649 12.2817 12.2817 12.8606 12.8606 k = 0.5000 0.5000 0.2781 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6835 -8.6835 -4.3052 -4.3052 -2.5072 -2.5072 -2.1568 -2.1568 0.3089 0.3089 0.5457 0.5457 3.1115 3.1115 3.1187 3.1187 4.5708 4.5708 6.6991 6.6991 6.7883 6.7883 7.3895 7.3895 8.3224 8.3224 8.3601 8.3601 8.7751 8.7751 10.3887 10.3887 10.4129 10.4129 12.1372 12.1372 12.1656 12.1656 12.2825 12.2825 12.8612 12.8612 k = 0.5000 0.5000 0.2781 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6835 -8.6835 -4.3052 -4.3052 -2.5072 -2.5072 -2.1568 -2.1568 0.3089 0.3089 0.5457 0.5457 3.1115 3.1115 3.1187 3.1187 4.5708 4.5708 6.6991 6.6991 6.7883 6.7883 7.3895 7.3895 8.3224 8.3224 8.3601 8.3601 8.7751 8.7751 10.3887 10.3887 10.4129 10.4129 12.1372 12.1372 12.1656 12.1656 12.2825 12.2825 12.8612 12.8612 k = 0.4909 0.4909 0.2781 ( 9708 PWs) bands (ev): -46.8542 -46.8542 -46.8541 -46.8541 -23.8371 -23.8371 -23.5838 -23.5838 -23.1988 -23.1988 -22.9785 -22.9785 -22.8321 -22.8321 -22.5535 -22.5535 -17.4200 -17.4200 -8.6844 -8.6844 -4.3051 -4.3051 -2.5070 -2.5070 -2.1569 -2.1569 0.3097 0.3097 0.5443 0.5443 3.1134 3.1134 3.1206 3.1206 4.5710 4.5710 6.7009 6.7009 6.7901 6.7901 7.3910 7.3910 8.3219 8.3219 8.3598 8.3598 8.7714 8.7714 10.3906 10.3906 10.4149 10.4149 12.1370 12.1370 12.1649 12.1649 12.2817 12.2817 12.8605 12.8605 k = 0.4818 0.4818 0.2781 ( 9718 PWs) bands (ev): -46.8543 -46.8543 -46.8540 -46.8540 -23.8364 -23.8364 -23.5838 -23.5838 -23.1986 -23.1986 -22.9783 -22.9783 -22.8324 -22.8324 -22.5540 -22.5540 -17.4203 -17.4203 -8.6870 -8.6870 -4.3047 -4.3047 -2.5065 -2.5065 -2.1573 -2.1573 0.3118 0.3118 0.5401 0.5401 3.1189 3.1189 3.1266 3.1266 4.5716 4.5716 6.7062 6.7062 6.7956 6.7956 7.3953 7.3953 8.3203 8.3203 8.3589 8.3589 8.7604 8.7604 10.3964 10.3964 10.4207 10.4207 12.1366 12.1366 12.1629 12.1629 12.2793 12.2793 12.8584 12.8584 k = 0.4727 0.4727 0.2781 ( 9730 PWs) bands (ev): -46.8545 -46.8545 -46.8537 -46.8537 -23.8353 -23.8353 -23.5837 -23.5837 -23.1983 -23.1983 -22.9780 -22.9780 -22.8330 -22.8330 -22.5548 -22.5548 -17.4207 -17.4207 -8.6914 -8.6914 -4.3040 -4.3040 -2.5056 -2.5056 -2.1579 -2.1579 0.3154 0.3154 0.5333 0.5333 3.1275 3.1275 3.1370 3.1370 4.5726 4.5726 6.7150 6.7150 6.8048 6.8048 7.4026 7.4026 8.3176 8.3176 8.3574 8.3574 8.7425 8.7425 10.4056 10.4056 10.4305 10.4305 12.1357 12.1357 12.1597 12.1597 12.2753 12.2753 12.8548 12.8548 k = 0.4636 0.4636 0.2781 ( 9734 PWs) bands (ev): -46.8548 -46.8548 -46.8535 -46.8535 -23.8338 -23.8338 -23.5837 -23.5837 -23.1979 -23.1979 -22.9774 -22.9774 -22.8338 -22.8338 -22.5559 -22.5559 -17.4212 -17.4212 -8.6975 -8.6975 -4.3030 -4.3030 -2.5044 -2.5044 -2.1588 -2.1588 0.3204 0.3204 0.5239 0.5239 3.1390 3.1390 3.1519 3.1519 4.5740 4.5740 6.7270 6.7270 6.8177 6.8177 7.4127 7.4127 8.3138 8.3138 8.3555 8.3555 8.7181 8.7181 10.4180 10.4180 10.4438 10.4438 12.1343 12.1343 12.1555 12.1555 12.2698 12.2698 12.8496 12.8496 k = 0.4545 0.4545 0.2781 ( 9738 PWs) bands (ev): -46.8552 -46.8552 -46.8531 -46.8531 -23.8318 -23.8318 -23.5836 -23.5836 -23.1974 -23.1974 -22.9768 -22.9768 -22.8348 -22.8348 -22.5574 -22.5574 -17.4219 -17.4219 -8.7053 -8.7053 -4.3018 -4.3018 -2.5028 -2.5028 -2.1599 -2.1599 0.3266 0.3266 0.5121 0.5121 3.1533 3.1533 3.1713 3.1713 4.5759 4.5759 6.7422 6.7422 6.8346 6.8346 7.4256 7.4256 8.3089 8.3089 8.3531 8.3531 8.6879 8.6879 10.4333 10.4333 10.4604 10.4604 12.1318 12.1318 12.1505 12.1505 12.2629 12.2629 12.8425 12.8425 k = 0.4455 0.4455 0.2781 ( 9752 PWs) bands (ev): -46.8557 -46.8557 -46.8526 -46.8526 -23.8294 -23.8294 -23.5836 -23.5836 -23.1967 -23.1967 -22.9761 -22.9761 -22.8360 -22.8360 -22.5592 -22.5592 -17.4227 -17.4227 -8.7147 -8.7147 -4.3002 -4.3002 -2.5009 -2.5009 -2.1613 -2.1613 0.3340 0.3340 0.4980 0.4980 3.1705 3.1705 3.1949 3.1949 4.5783 4.5783 6.7602 6.7602 6.8556 6.8556 7.4412 7.4412 8.3028 8.3028 8.3503 8.3503 8.6528 8.6528 10.4513 10.4513 10.4794 10.4794 12.1276 12.1276 12.1454 12.1454 12.2546 12.2546 12.8335 12.8335 k = 0.4364 0.4364 0.2781 ( 9748 PWs) bands (ev): -46.8563 -46.8563 -46.8521 -46.8521 -23.8267 -23.8267 -23.5835 -23.5835 -23.1959 -23.1959 -22.9752 -22.9752 -22.8374 -22.8374 -22.5612 -22.5612 -17.4237 -17.4237 -8.7258 -8.7258 -4.2984 -4.2984 -2.4985 -2.4985 -2.1629 -2.1629 0.3425 0.3425 0.4819 0.4819 3.1907 3.1907 3.2224 3.2224 4.5812 4.5812 6.7809 6.7809 6.8807 6.8807 7.4594 7.4594 8.2956 8.2956 8.3473 8.3473 8.6134 8.6134 10.4719 10.4719 10.5002 10.5002 12.1210 12.1210 12.1409 12.1409 12.2452 12.2452 12.8220 12.8220 k = 0.4273 0.4273 0.2781 ( 9756 PWs) bands (ev): -46.8569 -46.8569 -46.8515 -46.8515 -23.8235 -23.8235 -23.5835 -23.5835 -23.1950 -23.1950 -22.9743 -22.9743 -22.8390 -22.8390 -22.5635 -22.5635 -17.4249 -17.4249 -8.7385 -8.7385 -4.2963 -4.2963 -2.4958 -2.4958 -2.1648 -2.1648 0.3519 0.3519 0.4640 0.4640 3.2138 3.2138 3.2537 3.2537 4.5846 4.5846 6.8040 6.8040 6.9100 6.9100 7.4800 7.4800 8.2871 8.2871 8.3440 8.3440 8.5709 8.5709 10.4949 10.4949 10.5221 10.5221 12.1119 12.1119 12.1369 12.1369 12.2347 12.2347 12.8079 12.8079 k = 0.4182 0.4182 0.2781 ( 9756 PWs) bands (ev): -46.8577 -46.8577 -46.8508 -46.8508 -23.8200 -23.8200 -23.5834 -23.5834 -23.1939 -23.1939 -22.9733 -22.9733 -22.8407 -22.8407 -22.5661 -22.5661 -17.4261 -17.4261 -8.7528 -8.7528 -4.2939 -4.2939 -2.4926 -2.4926 -2.1668 -2.1668 0.3621 0.3621 0.4445 0.4445 3.2398 3.2398 3.2885 3.2885 4.5887 4.5887 6.8295 6.8295 6.9435 6.9435 7.5029 7.5029 8.2771 8.2771 8.3405 8.3405 8.5262 8.5262 10.5198 10.5198 10.5447 10.5447 12.1006 12.1006 12.1327 12.1327 12.2234 12.2234 12.7908 12.7908 k = 0.4091 0.4091 0.2781 ( 9760 PWs) bands (ev): -46.8585 -46.8585 -46.8501 -46.8501 -23.8162 -23.8162 -23.5834 -23.5834 -23.1927 -23.1927 -22.9723 -22.9723 -22.8424 -22.8424 -22.5688 -22.5688 -17.4276 -17.4276 -8.7685 -8.7685 -4.2913 -4.2913 -2.4889 -2.4889 -2.1691 -2.1691 0.3729 0.3729 0.4237 0.4237 3.2686 3.2686 3.3265 3.3265 4.5934 4.5934 6.8573 6.8573 6.9810 6.9810 7.5278 7.5278 8.2651 8.2651 8.3370 8.3370 8.4809 8.4809 10.5452 10.5452 10.5687 10.5687 12.0874 12.0874 12.1276 12.1276 12.2119 12.2119 12.7703 12.7703 k = 0.4000 0.4000 0.2781 ( 9756 PWs) bands (ev): -46.8594 -46.8594 -46.8492 -46.8492 -23.8121 -23.8121 -23.5833 -23.5833 -23.1914 -23.1914 -22.9713 -22.9713 -22.8443 -22.8443 -22.5718 -22.5718 -17.4291 -17.4291 -8.7856 -8.7856 -4.2884 -4.2884 -2.4848 -2.4848 -2.1715 -2.1715 0.3836 0.3836 0.4023 0.4023 3.3003 3.3003 3.3676 3.3676 4.5988 4.5988 6.8874 6.8874 7.0223 7.0223 7.5545 7.5545 8.2500 8.2500 8.3334 8.3334 8.4366 8.4366 10.5681 10.5681 10.5962 10.5962 12.0727 12.0727 12.1210 12.1210 12.2006 12.2006 12.7462 12.7462 k = 0.3909 0.3909 0.2781 ( 9748 PWs) bands (ev): -46.8603 -46.8603 -46.8484 -46.8484 -23.8077 -23.8077 -23.5833 -23.5833 -23.1900 -23.1900 -22.9703 -22.9703 -22.8462 -22.8462 -22.5749 -22.5749 -17.4308 -17.4308 -8.8041 -8.8041 -4.2852 -4.2852 -2.4802 -2.4802 -2.1742 -2.1742 0.3774 0.3774 0.3972 0.3972 3.3346 3.3346 3.4115 3.4115 4.6051 4.6051 6.9197 6.9197 7.0673 7.0673 7.5823 7.5823 8.2299 8.2299 8.3301 8.3301 8.3963 8.3963 10.5866 10.5866 10.6286 10.6286 12.0566 12.0566 12.1120 12.1120 12.1903 12.1903 12.7183 12.7183 k = 0.3818 0.3818 0.2781 ( 9742 PWs) bands (ev): -46.8613 -46.8613 -46.8474 -46.8474 -23.8030 -23.8030 -23.5833 -23.5833 -23.1885 -23.1885 -22.9695 -22.9695 -22.8480 -22.8480 -22.5782 -22.5782 -17.4326 -17.4326 -8.8239 -8.8239 -4.2817 -4.2817 -2.4750 -2.4750 -2.1770 -2.1770 0.3544 0.3544 0.4084 0.4084 3.3716 3.3716 3.4580 3.4580 4.6122 4.6122 6.9543 6.9543 7.1157 7.1157 7.6110 7.6110 8.2023 8.2023 8.3271 8.3271 8.3632 8.3632 10.6007 10.6007 10.6652 10.6652 12.0391 12.0391 12.1001 12.1001 12.1813 12.1813 12.6866 12.6866 k = 0.3727 0.3727 0.2781 ( 9734 PWs) bands (ev): -46.8624 -46.8624 -46.8464 -46.8464 -23.7981 -23.7981 -23.5833 -23.5833 -23.1868 -23.1868 -22.9688 -22.9688 -22.8497 -22.8497 -22.5816 -22.5816 -17.4345 -17.4345 -8.8449 -8.8449 -4.2780 -4.2780 -2.4694 -2.4694 -2.1800 -2.1800 0.3305 0.3305 0.4199 0.4199 3.4112 3.4112 3.5069 3.5069 4.6203 4.6203 6.9912 6.9912 7.1672 7.1672 7.6397 7.6397 8.1658 8.1658 8.3239 8.3239 8.3403 8.3403 10.6109 10.6109 10.7050 10.7050 12.0203 12.0203 12.0853 12.0853 12.1738 12.1738 12.6514 12.6514 k = 0.3636 0.3636 0.2781 ( 9736 PWs) bands (ev): -46.8636 -46.8636 -46.8453 -46.8453 -23.7931 -23.7931 -23.5833 -23.5833 -23.1850 -23.1850 -22.9683 -22.9683 -22.8513 -22.8513 -22.5850 -22.5850 -17.4365 -17.4365 -8.8671 -8.8671 -4.2740 -4.2740 -2.4632 -2.4632 -2.1831 -2.1831 0.3064 0.3064 0.4312 0.4312 3.4533 3.4533 3.5579 3.5579 4.6295 4.6295 7.0304 7.0304 7.2217 7.2217 7.6678 7.6678 8.1215 8.1215 8.3158 8.3158 8.3325 8.3325 10.6171 10.6171 10.7476 10.7476 12.0003 12.0003 12.0677 12.0677 12.1677 12.1677 12.6129 12.6129 k = 0.3545 0.3545 0.2781 ( 9740 PWs) bands (ev): -46.8648 -46.8648 -46.8442 -46.8442 -23.7879 -23.7879 -23.5833 -23.5833 -23.1831 -23.1831 -22.9681 -22.9681 -22.8526 -22.8526 -22.5885 -22.5885 -17.4386 -17.4386 -8.8904 -8.8904 -4.2697 -4.2697 -2.4564 -2.4564 -2.1864 -2.1864 0.2821 0.2821 0.4421 0.4421 3.4977 3.4977 3.6110 3.6110 4.6398 4.6398 7.0720 7.0720 7.2787 7.2787 7.6943 7.6943 8.0719 8.0719 8.3053 8.3053 8.3359 8.3359 10.6191 10.6191 10.7929 10.7929 11.9792 11.9792 12.0477 12.0477 12.1625 12.1625 12.5716 12.5716 k = 0.3455 0.3455 0.2781 ( 9734 PWs) bands (ev): -46.8660 -46.8660 -46.8430 -46.8430 -23.7826 -23.7826 -23.5834 -23.5834 -23.1810 -23.1810 -22.9682 -22.9682 -22.8536 -22.8536 -22.5921 -22.5921 -17.4409 -17.4409 -8.9146 -8.9146 -4.2652 -4.2652 -2.4491 -2.4491 -2.1897 -2.1897 0.2581 0.2581 0.4523 0.4523 3.5444 3.5444 3.6658 3.6658 4.6513 4.6513 7.1159 7.1159 7.3380 7.3380 7.7183 7.7183 8.0193 8.0193 8.2962 8.2962 8.3455 8.3455 10.6169 10.6169 10.8406 10.8406 11.9569 11.9569 12.0258 12.0258 12.1578 12.1578 12.5279 12.5279 k = 0.3364 0.3364 0.2781 ( 9730 PWs) bands (ev): -46.8674 -46.8674 -46.8418 -46.8418 -23.7772 -23.7772 -23.5834 -23.5834 -23.1789 -23.1789 -22.9688 -22.9688 -22.8542 -22.8542 -22.5956 -22.5956 -17.4432 -17.4432 -8.9397 -8.9397 -4.2605 -4.2605 -2.4412 -2.4412 -2.1932 -2.1932 0.2343 0.2343 0.4616 0.4616 3.5934 3.5934 3.7223 3.7223 4.6642 4.6642 7.1621 7.1621 7.3994 7.3994 7.7389 7.7389 7.9650 7.9650 8.2882 8.2882 8.3614 8.3614 10.6105 10.6105 10.8905 10.8905 11.9337 11.9337 12.0023 12.0023 12.1532 12.1532 12.4825 12.4825 k = 0.3273 0.3273 0.2781 ( 9722 PWs) bands (ev): -46.8687 -46.8687 -46.8405 -46.8405 -23.7718 -23.7718 -23.5835 -23.5835 -23.1766 -23.1766 -22.9698 -22.9698 -22.8544 -22.8544 -22.5991 -22.5991 -17.4456 -17.4456 -8.9656 -8.9656 -4.2555 -4.2555 -2.4328 -2.4328 -2.1967 -2.1967 0.2110 0.2110 0.4699 0.4699 3.6444 3.6444 3.7801 3.7801 4.6785 4.6785 7.2105 7.2105 7.4625 7.4625 7.7554 7.7554 7.9103 7.9103 8.2807 8.2807 8.3841 8.3841 10.5998 10.5998 10.9424 10.9424 11.9094 11.9094 11.9774 11.9774 12.1486 12.1486 12.4358 12.4358 k = 0.3182 0.3182 0.2781 ( 9724 PWs) bands (ev): -46.8701 -46.8701 -46.8392 -46.8392 -23.7664 -23.7664 -23.5837 -23.5837 -23.1743 -23.1743 -22.9713 -22.9713 -22.8540 -22.8540 -22.6026 -22.6026 -17.4480 -17.4480 -8.9922 -8.9922 -4.2504 -4.2504 -2.4238 -2.4238 -2.2003 -2.2003 0.1883 0.1883 0.4770 0.4770 3.6973 3.6973 3.8392 3.8392 4.6943 4.6943 7.2613 7.2613 7.5269 7.5269 7.7671 7.7671 7.8559 7.8559 8.2733 8.2733 8.4137 8.4137 10.5848 10.5848 10.9962 10.9962 11.8843 11.8843 11.9513 11.9513 12.1436 12.1436 12.3883 12.3883 k = 0.3091 0.3091 0.2781 ( 9728 PWs) bands (ev): -46.8716 -46.8716 -46.8378 -46.8378 -23.7611 -23.7611 -23.5838 -23.5838 -23.1718 -23.1718 -22.9733 -22.9733 -22.8532 -22.8532 -22.6060 -22.6060 -17.4506 -17.4506 -9.0195 -9.0195 -4.2450 -4.2450 -2.4143 -2.4143 -2.2038 -2.2038 0.1664 0.1664 0.4827 0.4827 3.7521 3.7521 3.8993 3.8993 4.7116 4.7116 7.3142 7.3142 7.5923 7.5923 7.7716 7.7716 7.8049 7.8049 8.2659 8.2659 8.4500 8.4500 10.5658 10.5658 11.0516 11.0516 11.8582 11.8582 11.9243 11.9243 12.1382 12.1382 12.3406 12.3406 k = 0.3000 0.3000 0.2781 ( 9724 PWs) bands (ev): -46.8730 -46.8730 -46.8365 -46.8365 -23.7558 -23.7558 -23.5839 -23.5839 -23.1693 -23.1693 -22.9758 -22.9758 -22.8518 -22.8518 -22.6092 -22.6092 -17.4532 -17.4532 -9.0473 -9.0473 -4.2394 -4.2394 -2.4044 -2.4044 -2.2072 -2.2072 0.1452 0.1452 0.4869 0.4869 3.8085 3.8085 3.9602 3.9602 4.7306 4.7306 7.3693 7.3693 7.6573 7.6573 7.7427 7.7427 7.7851 7.7851 8.2585 8.2585 8.4925 8.4925 10.5429 10.5429 11.1084 11.1084 11.8313 11.8313 11.8964 11.8964 12.1321 12.1321 12.2930 12.2930 k = 0.2909 0.2909 0.2781 ( 9720 PWs) bands (ev): -46.8745 -46.8745 -46.8350 -46.8350 -23.7506 -23.7506 -23.5841 -23.5841 -23.1667 -23.1667 -22.9788 -22.9788 -22.8498 -22.8498 -22.6123 -22.6123 -17.4559 -17.4559 -9.0755 -9.0755 -4.2337 -4.2337 -2.3940 -2.3940 -2.2104 -2.2104 0.1250 0.1250 0.4895 0.4895 3.8666 3.8666 4.0219 4.0219 4.7513 4.7513 7.4264 7.4264 7.6845 7.6845 7.7295 7.7295 7.7851 7.7851 8.2510 8.2510 8.5404 8.5404 10.5162 10.5162 11.1664 11.1664 11.8035 11.8035 11.8678 11.8678 12.1254 12.1254 12.2457 12.2457 k = 0.2818 0.2818 0.2781 ( 9708 PWs) bands (ev): -46.8760 -46.8760 -46.8336 -46.8336 -23.7456 -23.7456 -23.5842 -23.5842 -23.1641 -23.1641 -22.9822 -22.9822 -22.8474 -22.8474 -22.6153 -22.6153 -17.4586 -17.4586 -9.1041 -9.1041 -4.2278 -4.2278 -2.3834 -2.3834 -2.2133 -2.2133 0.1057 0.1057 0.4903 0.4903 3.9260 3.9260 4.0841 4.0841 4.7737 4.7737 7.4853 7.4853 7.6362 7.6362 7.7696 7.7696 7.8060 7.8060 8.2435 8.2435 8.5926 8.5926 10.4861 10.4861 11.2252 11.2252 11.7750 11.7750 11.8385 11.8385 12.1177 12.1177 12.1989 12.1989 k = 0.2727 0.2727 0.2781 ( 9708 PWs) bands (ev): -46.8776 -46.8776 -46.8322 -46.8322 -23.7408 -23.7408 -23.5843 -23.5843 -23.1614 -23.1614 -22.9860 -22.9860 -22.8446 -22.8446 -22.6181 -22.6181 -17.4613 -17.4613 -9.1329 -9.1329 -4.2217 -4.2217 -2.3725 -2.3725 -2.2157 -2.2157 0.0874 0.0874 0.4893 0.4893 3.9866 3.9866 4.1466 4.1466 4.7979 4.7979 7.5452 7.5452 7.5864 7.5864 7.7699 7.7699 7.8680 7.8680 8.2360 8.2360 8.6482 8.6482 10.4529 10.4529 11.2844 11.2844 11.7457 11.7457 11.8087 11.8087 12.1092 12.1092 12.1528 12.1528 k = 0.2636 0.2636 0.2781 ( 9702 PWs) bands (ev): -46.8791 -46.8791 -46.8307 -46.8307 -23.7363 -23.7363 -23.5844 -23.5844 -23.1587 -23.1587 -22.9901 -22.9901 -22.8414 -22.8414 -22.6207 -22.6207 -17.4641 -17.4641 -9.1619 -9.1619 -4.2156 -4.2156 -2.3617 -2.3617 -2.2176 -2.2176 0.0702 0.0702 0.4864 0.4864 4.0484 4.0484 4.2094 4.2094 4.8238 4.8238 7.5358 7.5358 7.6071 7.6071 7.7655 7.7655 7.9346 7.9346 8.2286 8.2286 8.7061 8.7061 10.4170 10.4170 11.3438 11.3438 11.7158 11.7158 11.7785 11.7785 12.0992 12.0992 12.1077 12.1077 k = 0.2545 0.2545 0.2781 ( 9696 PWs) bands (ev): -46.8807 -46.8807 -46.8293 -46.8293 -23.7320 -23.7320 -23.5845 -23.5845 -23.1560 -23.1560 -22.9944 -22.9944 -22.8378 -22.8378 -22.6230 -22.6230 -17.4668 -17.4668 -9.1909 -9.1909 -4.2094 -4.2094 -2.3511 -2.3511 -2.2185 -2.2185 0.0541 0.0541 0.4816 0.4816 4.1111 4.1111 4.2721 4.2721 4.8514 4.8514 7.4880 7.4880 7.6639 7.6639 7.7646 7.7646 8.0013 8.0013 8.2215 8.2215 8.7651 8.7651 10.3786 10.3786 11.4027 11.4027 11.6855 11.6855 11.7479 11.7479 12.0621 12.0621 12.0893 12.0893 k = 0.2455 0.2455 0.2781 ( 9704 PWs) bands (ev): -46.8822 -46.8822 -46.8278 -46.8278 -23.7280 -23.7280 -23.5846 -23.5846 -23.1533 -23.1533 -22.9989 -22.9989 -22.8340 -22.8340 -22.6252 -22.6252 -17.4696 -17.4696 -9.2199 -9.2199 -4.2031 -4.2031 -2.3411 -2.3411 -2.2182 -2.2182 0.0391 0.0391 0.4749 0.4749 4.1745 4.1745 4.3348 4.3348 4.8807 4.8807 7.4415 7.4415 7.7011 7.7011 7.7843 7.7843 8.0669 8.0669 8.2151 8.2151 8.8242 8.8242 10.3382 10.3382 11.4607 11.4607 11.6550 11.6550 11.7171 11.7171 12.0177 12.0177 12.0775 12.0775 k = 0.2364 0.2364 0.2781 ( 9704 PWs) bands (ev): -46.8838 -46.8838 -46.8263 -46.8263 -23.7243 -23.7243 -23.5845 -23.5845 -23.1507 -23.1507 -23.0035 -23.0035 -22.8299 -22.8299 -22.6270 -22.6270 -17.4724 -17.4724 -9.2488 -9.2488 -4.1968 -4.1968 -2.3320 -2.3320 -2.2163 -2.2163 0.0252 0.0252 0.4661 0.4661 4.2385 4.2385 4.3971 4.3971 4.9116 4.9116 7.3966 7.3966 7.7066 7.7066 7.8369 7.8369 8.1293 8.1293 8.2112 8.2112 8.8822 8.8822 10.2961 10.2961 11.5170 11.5170 11.6247 11.6247 11.6861 11.6861 11.9735 11.9735 12.0647 12.0647 k = 0.2273 0.2273 0.2781 ( 9702 PWs) bands (ev): -46.8853 -46.8853 -46.8249 -46.8249 -23.7209 -23.7209 -23.5845 -23.5845 -23.1481 -23.1481 -23.0081 -23.0081 -22.8258 -22.8258 -22.6286 -22.6286 -17.4752 -17.4752 -9.2775 -9.2775 -4.1905 -4.1905 -2.3243 -2.3243 -2.2124 -2.2124 0.0124 0.0124 0.4555 0.4555 4.3029 4.3029 4.4589 4.4589 4.9440 4.9440 7.3534 7.3534 7.6998 7.6998 7.9033 7.9033 8.1744 8.1744 8.2237 8.2237 8.9379 8.9379 10.2528 10.2528 11.5703 11.5703 11.5955 11.5955 11.6556 11.6556 11.9293 11.9293 12.0507 12.0507 k = 0.2182 0.2182 0.2781 ( 9702 PWs) bands (ev): -46.8868 -46.8868 -46.8234 -46.8234 -23.7179 -23.7179 -23.5843 -23.5843 -23.1457 -23.1457 -23.0127 -23.0127 -22.8216 -22.8216 -22.6298 -22.6298 -17.4780 -17.4780 -9.3058 -9.3058 -4.1842 -4.1842 -2.3182 -2.3182 -2.2062 -2.2062 0.0007 0.0007 0.4430 0.4430 4.3674 4.3674 4.5200 4.5200 4.9779 4.9779 7.3120 7.3120 7.6898 7.6898 7.9747 7.9747 8.1810 8.1810 8.2737 8.2737 8.9900 8.9900 10.2087 10.2087 11.5672 11.5672 11.6116 11.6116 11.6344 11.6344 11.8850 11.8850 12.0357 12.0357 k = 0.2091 0.2091 0.2781 ( 9710 PWs) bands (ev): -46.8884 -46.8884 -46.8220 -46.8220 -23.7153 -23.7153 -23.5841 -23.5841 -23.1433 -23.1433 -23.0172 -23.0172 -22.8173 -22.8173 -22.6307 -22.6307 -17.4807 -17.4807 -9.3338 -9.3338 -4.1780 -4.1780 -2.3139 -2.3139 -2.1976 -2.1976 -0.0100 -0.0100 0.4288 0.4288 4.4320 4.4320 4.5804 4.5804 5.0129 5.0129 7.2724 7.2724 7.6791 7.6791 8.0489 8.0489 8.1766 8.1766 8.3334 8.3334 9.0373 9.0373 10.1643 10.1643 11.5416 11.5416 11.5896 11.5896 11.6721 11.6721 11.8404 11.8404 12.0197 12.0197 k = 0.2000 0.2000 0.2781 ( 9710 PWs) bands (ev): -46.8898 -46.8898 -46.8206 -46.8206 -23.7130 -23.7130 -23.5838 -23.5838 -23.1411 -23.1411 -23.0216 -23.0216 -22.8131 -22.8131 -22.6314 -22.6314 -17.4834 -17.4834 -9.3613 -9.3613 -4.1718 -4.1718 -2.3112 -2.3112 -2.1867 -2.1867 -0.0197 -0.0197 0.4128 0.4128 4.4963 4.4963 4.6397 4.6397 5.0491 5.0491 7.2347 7.2347 7.6687 7.6687 8.1249 8.1249 8.1706 8.1706 8.3935 8.3935 9.0784 9.0784 10.1198 10.1198 11.5192 11.5192 11.5593 11.5593 11.7131 11.7131 11.7954 11.7954 12.0027 12.0027 k = 0.1909 0.1909 0.2781 ( 9710 PWs) bands (ev): -46.8913 -46.8913 -46.8192 -46.8192 -23.7111 -23.7111 -23.5834 -23.5834 -23.1391 -23.1391 -23.0257 -23.0257 -22.8091 -22.8091 -22.6316 -22.6316 -17.4860 -17.4860 -9.3882 -9.3882 -4.1658 -4.1658 -2.3098 -2.3098 -2.1739 -2.1739 -0.0284 -0.0284 0.3953 0.3953 4.5602 4.5602 4.6979 4.6979 5.0861 5.0861 7.1990 7.1990 7.6591 7.6591 8.1635 8.1635 8.2033 8.2033 8.4525 8.4525 9.1122 9.1122 10.0757 10.0757 11.5005 11.5005 11.5291 11.5291 11.7411 11.7411 11.7569 11.7569 11.9850 11.9850 k = 0.1818 0.1818 0.2781 ( 9710 PWs) bands (ev): -46.8927 -46.8927 -46.8178 -46.8178 -23.7096 -23.7096 -23.5829 -23.5829 -23.1373 -23.1373 -23.0296 -23.0296 -22.8051 -22.8051 -22.6315 -22.6315 -17.4886 -17.4886 -9.4144 -9.4144 -4.1599 -4.1599 -2.3094 -2.3094 -2.1596 -2.1596 -0.0362 -0.0362 0.3763 0.3763 4.6234 4.6234 4.7548 4.7548 5.1237 5.1237 7.1651 7.1651 7.6508 7.6508 8.1572 8.1572 8.2823 8.2823 8.5100 8.5100 9.1377 9.1377 10.0325 10.0325 11.4842 11.4842 11.5014 11.5014 11.7006 11.7006 11.7786 11.7786 11.9665 11.9665 k = 0.1727 0.1727 0.2781 ( 9710 PWs) bands (ev): -46.8941 -46.8941 -46.8165 -46.8165 -23.7084 -23.7084 -23.5824 -23.5824 -23.1358 -23.1358 -23.0331 -23.0331 -22.8014 -22.8014 -22.6311 -22.6311 -17.4912 -17.4912 -9.4400 -9.4400 -4.1542 -4.1542 -2.3097 -2.3097 -2.1441 -2.1441 -0.0431 -0.0431 0.3560 0.3560 4.6857 4.6857 4.8101 4.8101 5.1618 5.1618 7.1332 7.1332 7.6441 7.6441 8.1508 8.1508 8.3624 8.3624 8.5659 8.5659 9.1539 9.1539 9.9904 9.9904 11.4620 11.4620 11.4854 11.4854 11.6531 11.6531 11.7979 11.7979 11.9475 11.9475 k = 0.1636 0.1636 0.2781 ( 9712 PWs) bands (ev): -46.8955 -46.8955 -46.8152 -46.8152 -23.7075 -23.7075 -23.5818 -23.5818 -23.1344 -23.1344 -23.0364 -23.0364 -22.7979 -22.7979 -22.6304 -22.6304 -17.4936 -17.4936 -9.4647 -9.4647 -4.1487 -4.1487 -2.3104 -2.3104 -2.1277 -2.1277 -0.0491 -0.0491 0.3347 0.3347 4.7468 4.7468 4.8638 4.8638 5.2001 5.2001 7.1032 7.1032 7.6396 7.6396 8.1446 8.1446 8.4431 8.4431 8.6203 8.6203 9.1604 9.1604 9.9500 9.9500 11.4338 11.4338 11.4811 11.4811 11.6047 11.6047 11.8080 11.8080 11.9282 11.9282 k = 0.1545 0.1545 0.2781 ( 9708 PWs) bands (ev): -46.8968 -46.8968 -46.8140 -46.8140 -23.7070 -23.7070 -23.5811 -23.5811 -23.1334 -23.1334 -23.0392 -23.0392 -22.7946 -22.7946 -22.6293 -22.6293 -17.4960 -17.4960 -9.4885 -9.4885 -4.1434 -4.1434 -2.3113 -2.3113 -2.1106 -2.1106 -0.0544 -0.0544 0.3124 0.3124 4.8066 4.8066 4.9157 4.9157 5.2382 5.2382 7.0752 7.0752 7.6374 7.6374 8.1386 8.1386 8.5235 8.5235 8.6734 8.6734 9.1570 9.1570 9.9116 9.9116 11.4050 11.4050 11.4822 11.4822 11.5566 11.5566 11.8078 11.8078 11.9087 11.9087 k = 0.1455 0.1455 0.2781 ( 9708 PWs) bands (ev): -46.8980 -46.8980 -46.8128 -46.8128 -23.7067 -23.7067 -23.5804 -23.5804 -23.1326 -23.1326 -23.0417 -23.0417 -22.7916 -22.7916 -22.6279 -22.6279 -17.4983 -17.4983 -9.5114 -9.5114 -4.1383 -4.1383 -2.3124 -2.3124 -2.0932 -2.0932 -0.0590 -0.0590 0.2894 0.2894 4.8648 4.8648 4.9656 4.9656 5.2759 5.2759 7.0490 7.0490 7.6380 7.6380 8.1329 8.1329 8.6023 8.6023 8.7261 8.7261 9.1440 9.1440 9.8755 9.8755 11.3764 11.3764 11.4793 11.4793 11.5169 11.5169 11.7972 11.7972 11.8892 11.8892 k = 0.1364 0.1364 0.2781 ( 9698 PWs) bands (ev): -46.8992 -46.8992 -46.8117 -46.8117 -23.7066 -23.7066 -23.5796 -23.5796 -23.1321 -23.1321 -23.0438 -23.0438 -22.7888 -22.7888 -22.6263 -22.6263 -17.5005 -17.5005 -9.5332 -9.5332 -4.1334 -4.1334 -2.3135 -2.3135 -2.0756 -2.0756 -0.0628 -0.0628 0.2659 0.2659 4.9211 4.9211 5.0133 5.0133 5.3128 5.3128 7.0248 7.0248 7.6417 7.6417 8.1275 8.1275 8.6768 8.6768 8.7806 8.7806 9.1219 9.1219 9.8422 9.8422 11.3486 11.3486 11.4436 11.4436 11.5136 11.5136 11.7763 11.7763 11.8700 11.8700 k = 0.1273 0.1273 0.2781 ( 9682 PWs) bands (ev): -46.9004 -46.9004 -46.8106 -46.8106 -23.7068 -23.7068 -23.5789 -23.5789 -23.1318 -23.1318 -23.0456 -23.0456 -22.7864 -22.7864 -22.6245 -22.6245 -17.5026 -17.5026 -9.5540 -9.5540 -4.1289 -4.1289 -2.3146 -2.3146 -2.0579 -2.0579 -0.0661 -0.0661 0.2421 0.2421 4.9754 4.9754 5.0587 5.0587 5.3488 5.3488 7.0024 7.0024 7.6488 7.6488 8.1225 8.1225 8.7425 8.7425 8.8404 8.8404 9.0920 9.0920 9.8120 9.8120 11.3214 11.3214 11.3945 11.3945 11.5265 11.5265 11.7459 11.7459 11.8511 11.8511 k = 0.1182 0.1182 0.2781 ( 9686 PWs) bands (ev): -46.9015 -46.9015 -46.8096 -46.8096 -23.7072 -23.7072 -23.5781 -23.5781 -23.1318 -23.1318 -23.0469 -23.0469 -22.7842 -22.7842 -22.6225 -22.6225 -17.5045 -17.5045 -9.5736 -9.5736 -4.1246 -4.1246 -2.3156 -2.3156 -2.0404 -2.0404 -0.0687 -0.0687 0.2183 0.2183 5.0272 5.0272 5.1017 5.1017 5.3834 5.3834 6.9819 6.9819 7.6594 7.6594 8.1178 8.1178 8.7959 8.7959 8.9065 8.9065 9.0571 9.0571 9.7853 9.7853 11.2949 11.2949 11.3440 11.3440 11.5433 11.5433 11.7070 11.7070 11.8328 11.8328 k = 0.1091 0.1091 0.2781 ( 9688 PWs) bands (ev): -46.9025 -46.9025 -46.8086 -46.8086 -23.7077 -23.7077 -23.5773 -23.5773 -23.1320 -23.1320 -23.0480 -23.0480 -22.7823 -22.7823 -22.6203 -22.6203 -17.5064 -17.5064 -9.5920 -9.5920 -4.1206 -4.1206 -2.3165 -2.3165 -2.0232 -2.0232 -0.0709 -0.0709 0.1947 0.1947 5.0765 5.0765 5.1420 5.1420 5.4164 5.4164 6.9631 6.9631 7.6740 7.6740 8.1134 8.1134 8.8376 8.8376 8.9623 8.9623 9.0336 9.0336 9.7624 9.7624 11.2675 11.2675 11.2954 11.2954 11.5614 11.5614 11.6609 11.6609 11.8153 11.8153 k = 0.1000 0.1000 0.2781 ( 9684 PWs) bands (ev): -46.9034 -46.9034 -46.8077 -46.8077 -23.7083 -23.7083 -23.5766 -23.5766 -23.1324 -23.1324 -23.0487 -23.0487 -22.7807 -22.7807 -22.6181 -22.6181 -17.5081 -17.5081 -9.6092 -9.6092 -4.1170 -4.1170 -2.3173 -2.3173 -2.0065 -2.0065 -0.0725 -0.0725 0.1716 0.1716 5.1229 5.1229 5.1797 5.1797 5.4476 5.4476 6.9461 6.9461 7.6925 7.6925 8.1095 8.1095 8.8667 8.8667 8.9493 8.9493 9.0814 9.0814 9.7437 9.7437 11.2320 11.2320 11.2569 11.2569 11.5788 11.5788 11.6100 11.6100 11.7986 11.7986 k = 0.0909 0.0909 0.2781 ( 9684 PWs) bands (ev): -46.9043 -46.9043 -46.8069 -46.8069 -23.7089 -23.7089 -23.5758 -23.5758 -23.1329 -23.1329 -23.0493 -23.0493 -22.7793 -22.7793 -22.6158 -22.6158 -17.5097 -17.5097 -9.6250 -9.6250 -4.1136 -4.1136 -2.3179 -2.3179 -1.9904 -1.9904 -0.0737 -0.0737 0.1491 0.1491 5.1662 5.1662 5.2145 5.2145 5.4767 5.4767 6.9307 6.9307 7.7152 7.7152 8.1059 8.1059 8.8623 8.8623 8.9322 8.9322 9.1569 9.1569 9.7293 9.7293 11.1862 11.1862 11.2314 11.2314 11.5499 11.5499 11.6005 11.6005 11.7830 11.7830 k = 0.0818 0.0818 0.2781 ( 9680 PWs) bands (ev): -46.9051 -46.9051 -46.8061 -46.8061 -23.7096 -23.7096 -23.5751 -23.5751 -23.1334 -23.1334 -23.0496 -23.0496 -22.7781 -22.7781 -22.6136 -22.6136 -17.5112 -17.5112 -9.6395 -9.6395 -4.1105 -4.1105 -2.3185 -2.3185 -1.9752 -1.9752 -0.0744 -0.0744 0.1276 0.1276 5.2062 5.2062 5.2463 5.2463 5.5034 5.5034 6.9170 6.9170 7.7421 7.7421 8.1029 8.1029 8.8150 8.8150 8.9461 8.9461 9.2346 9.2346 9.7193 9.7193 11.1393 11.1393 11.2103 11.2103 11.4906 11.4906 11.6174 11.6174 11.7686 11.7686 k = 0.0727 0.0727 0.2781 ( 9674 PWs) bands (ev): -46.9058 -46.9058 -46.8054 -46.8054 -23.7103 -23.7103 -23.5745 -23.5745 -23.1341 -23.1341 -23.0498 -23.0498 -22.7771 -22.7771 -22.6115 -22.6115 -17.5125 -17.5125 -9.6525 -9.6525 -4.1078 -4.1078 -2.3189 -2.3189 -1.9610 -1.9610 -0.0747 -0.0747 0.1073 0.1073 5.2426 5.2426 5.2751 5.2751 5.5277 5.5277 6.9050 6.9050 7.7731 7.7731 8.1003 8.1003 8.7551 8.7551 8.9645 8.9645 9.3106 9.3106 9.7140 9.7140 11.0942 11.0942 11.1915 11.1915 11.4290 11.4290 11.6335 11.6335 11.7555 11.7555 k = 0.0636 0.0636 0.2781 ( 9676 PWs) bands (ev): -46.9064 -46.9064 -46.8048 -46.8048 -23.7110 -23.7110 -23.5739 -23.5739 -23.1347 -23.1347 -23.0498 -23.0498 -22.7762 -22.7762 -22.6095 -22.6095 -17.5137 -17.5137 -9.6641 -9.6641 -4.1054 -4.1054 -2.3192 -2.3192 -1.9479 -1.9479 -0.0747 -0.0747 0.0885 0.0885 5.2753 5.2753 5.3007 5.3007 5.5493 5.5493 6.8944 6.8944 7.8079 7.8079 8.0983 8.0983 8.6911 8.6911 8.9808 8.9808 9.3828 9.3828 9.7132 9.7132 11.0518 11.0518 11.1748 11.1748 11.3672 11.3672 11.6480 11.6480 11.7439 11.7439 k = 0.0545 0.0545 0.2781 ( 9692 PWs) bands (ev): -46.9070 -46.9070 -46.8043 -46.8043 -23.7117 -23.7117 -23.5734 -23.5734 -23.1353 -23.1353 -23.0498 -23.0498 -22.7755 -22.7755 -22.6077 -22.6077 -17.5148 -17.5148 -9.6743 -9.6743 -4.1033 -4.1033 -2.3195 -2.3195 -1.9362 -1.9362 -0.0744 -0.0744 0.0713 0.0713 5.3041 5.3041 5.3231 5.3231 5.5682 5.5682 6.8854 6.8854 7.8462 7.8462 8.0970 8.0970 8.6253 8.6253 8.9941 8.9941 9.4493 9.4493 9.7171 9.7171 11.0130 11.0130 11.1602 11.1602 11.3068 11.3068 11.6606 11.6606 11.7340 11.7340 k = 0.0455 0.0455 0.2781 ( 9700 PWs) bands (ev): -46.9075 -46.9075 -46.8038 -46.8038 -23.7123 -23.7123 -23.5730 -23.5730 -23.1359 -23.1359 -23.0497 -23.0497 -22.7750 -22.7750 -22.6061 -22.6061 -17.5156 -17.5156 -9.6829 -9.6829 -4.1016 -4.1016 -2.3197 -2.3197 -1.9260 -1.9260 -0.0738 -0.0738 0.0561 0.0561 5.3287 5.3287 5.3422 5.3422 5.5842 5.5842 6.8779 6.8779 7.8873 7.8873 8.0968 8.0968 8.5590 8.5590 9.0045 9.0045 9.5075 9.5075 9.7257 9.7257 10.9785 10.9785 11.1477 11.1477 11.2499 11.2499 11.6711 11.6711 11.7259 11.7259 k = 0.0364 0.0364 0.2781 ( 9700 PWs) bands (ev): -46.9079 -46.9079 -46.8034 -46.8034 -23.7128 -23.7128 -23.5726 -23.5726 -23.1364 -23.1364 -23.0496 -23.0496 -22.7745 -22.7745 -22.6047 -22.6047 -17.5164 -17.5164 -9.6900 -9.6900 -4.1001 -4.1001 -2.3198 -2.3198 -1.9174 -1.9174 -0.0730 -0.0730 0.0431 0.0431 5.3491 5.3491 5.3578 5.3578 5.5974 5.5974 6.8717 6.8717 7.9299 7.9299 8.0983 8.0983 8.4936 8.4936 9.0124 9.0124 9.5550 9.5550 9.7391 9.7391 10.9490 10.9490 11.1373 11.1373 11.1984 11.1984 11.6790 11.6790 11.7200 11.7200 k = 0.0273 0.0273 0.2781 ( 9700 PWs) bands (ev): -46.9082 -46.9082 -46.8031 -46.8031 -23.7132 -23.7132 -23.5724 -23.5724 -23.1368 -23.1368 -23.0495 -23.0495 -22.7742 -22.7742 -22.6036 -22.6036 -17.5169 -17.5169 -9.6955 -9.6955 -4.0990 -4.0990 -2.3199 -2.3199 -1.9106 -1.9106 -0.0721 -0.0721 0.0325 0.0325 5.3650 5.3650 5.3701 5.3701 5.6077 5.6077 6.8670 6.8670 7.9713 7.9713 8.1028 8.1028 8.4306 8.4306 9.0180 9.0180 9.5899 9.5899 9.7559 9.7559 10.9252 10.9252 11.1292 11.1292 11.1548 11.1548 11.6840 11.6840 11.7165 11.7165 k = 0.0182 0.0182 0.2781 ( 9696 PWs) bands (ev): -46.9084 -46.9084 -46.8029 -46.8029 -23.7135 -23.7135 -23.5721 -23.5721 -23.1371 -23.1371 -23.0494 -23.0494 -22.7740 -22.7740 -22.6028 -22.6028 -17.5173 -17.5173 -9.6995 -9.6995 -4.0982 -4.0982 -2.3200 -2.3200 -1.9056 -1.9056 -0.0713 -0.0713 0.0247 0.0247 5.3764 5.3764 5.3790 5.3790 5.6150 5.6150 6.8636 6.8636 8.0063 8.0063 8.1130 8.1130 8.3730 8.3730 9.0217 9.0217 9.6126 9.6126 9.7731 9.7731 10.9077 10.9077 11.1213 11.1213 11.1234 11.1234 11.6865 11.6865 11.7152 11.7152 k = 0.0091 0.0091 0.2781 ( 9700 PWs) bands (ev): -46.9085 -46.9085 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1372 -23.1372 -23.0494 -23.0494 -22.7739 -22.7739 -22.6023 -22.6023 -17.5176 -17.5176 -9.7019 -9.7019 -4.0977 -4.0977 -2.3200 -2.3200 -1.9026 -1.9026 -0.0707 -0.0707 0.0198 0.0198 5.3831 5.3831 5.3845 5.3845 5.6194 5.6194 6.8616 6.8616 8.0281 8.0281 8.1295 8.1295 8.3272 8.3272 9.0238 9.0238 9.6250 9.6250 9.7858 9.7858 10.8970 10.8970 11.1001 11.1001 11.1199 11.1199 11.6873 11.6873 11.7151 11.7151 k = 0.0000 0.0000 0.2781 ( 9712 PWs) bands (ev): -46.9086 -46.9086 -46.8028 -46.8028 -23.7137 -23.7137 -23.5720 -23.5720 -23.1373 -23.1373 -23.0493 -23.0493 -22.7738 -22.7738 -22.6021 -22.6021 -17.5177 -17.5177 -9.7027 -9.7027 -4.0976 -4.0976 -2.3200 -2.3200 -1.9016 -1.9016 -0.0705 -0.0705 0.0182 0.0182 5.3852 5.3852 5.3865 5.3865 5.6209 5.6209 6.8610 6.8610 8.0350 8.0350 8.1396 8.1396 8.3079 8.3079 9.0245 9.0245 9.6289 9.6289 9.7905 9.7905 10.8933 10.8933 11.0929 11.0929 11.1187 11.1187 11.6875 11.6875 11.7152 11.7152 k = 0.0000 0.5000-0.0000 ( 9706 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1836 -9.1836 -4.2752 -4.2752 -2.5622 -2.5622 -1.9590 -1.9590 0.1551 0.1551 0.4473 0.4473 3.6551 3.6551 4.8770 4.8770 5.0354 5.0354 6.3899 6.3899 7.0590 7.0590 8.6343 8.6343 8.7868 8.7868 8.9102 8.9102 9.3016 9.3016 10.7621 10.7621 10.8341 10.8341 11.2395 11.2395 11.4003 11.4003 11.6229 11.6229 12.1911 12.1911 k = 0.0000 0.5000 0.0126 ( 9710 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1836 -9.1836 -4.2751 -4.2751 -2.5621 -2.5621 -1.9589 -1.9589 0.1526 0.1526 0.4498 0.4498 3.6551 3.6551 4.8756 4.8756 5.0353 5.0353 6.3927 6.3927 7.0605 7.0605 8.6310 8.6310 8.7899 8.7899 8.9060 8.9060 9.2976 9.2976 10.7626 10.7626 10.8369 10.8369 11.2414 11.2414 11.4020 11.4020 11.6249 11.6249 12.1910 12.1910 k = 0.0000 0.5000 0.0253 ( 9730 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1836 -9.1836 -4.2750 -4.2750 -2.5618 -2.5618 -1.9588 -1.9588 0.1451 0.1451 0.4571 0.4571 3.6553 3.6553 4.8714 4.8714 5.0353 5.0353 6.4012 6.4012 7.0647 7.0647 8.6218 8.6218 8.7979 8.7979 8.8940 8.8940 9.2860 9.2860 10.7639 10.7639 10.8454 10.8454 11.2468 11.2468 11.4070 11.4070 11.6312 11.6312 12.1908 12.1908 k = 0.0000 0.5000 0.0379 ( 9720 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1837 -9.1837 -4.2749 -4.2749 -2.5612 -2.5612 -1.9586 -1.9586 0.1336 0.1336 0.4684 0.4684 3.6556 3.6556 4.8645 4.8645 5.0352 5.0352 6.4151 6.4151 7.0717 7.0717 8.6085 8.6085 8.8081 8.8081 8.8758 8.8758 9.2671 9.2671 10.7661 10.7661 10.8589 10.8589 11.2554 11.2554 11.4153 11.4153 11.6417 11.6417 12.1904 12.1904 k = 0.0000 0.5000 0.0506 ( 9708 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1837 -9.1837 -4.2747 -4.2747 -2.5605 -2.5605 -1.9584 -1.9584 0.1189 0.1189 0.4827 0.4827 3.6560 3.6560 4.8553 4.8553 5.0351 5.0351 6.4343 6.4343 7.0815 7.0815 8.5926 8.5926 8.8123 8.8123 8.8583 8.8583 9.2416 9.2416 10.7691 10.7691 10.8771 10.8771 11.2662 11.2662 11.4269 11.4269 11.6566 11.6566 12.1899 12.1899 k = 0.0000 0.5000 0.0632 ( 9710 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1838 -9.1838 -4.2744 -4.2744 -2.5596 -2.5596 -1.9581 -1.9581 0.1020 0.1020 0.4991 0.4991 3.6565 3.6565 4.8439 4.8439 5.0349 5.0349 6.4584 6.4584 7.0939 7.0939 8.5750 8.5750 8.7928 8.7928 8.8588 8.8588 9.2103 9.2103 10.7729 10.7729 10.8990 10.8990 11.2783 11.2783 11.4418 11.4418 11.6757 11.6757 12.1893 12.1893 k = 0.0000 0.5000 0.0759 ( 9710 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1839 -9.1839 -4.2741 -4.2741 -2.5585 -2.5585 -1.9577 -1.9577 0.0837 0.0837 0.5168 0.5168 3.6571 3.6571 4.8308 4.8308 5.0347 5.0347 6.4870 6.4870 7.1089 7.1089 8.5565 8.5565 8.7555 8.7555 8.8715 8.8715 9.1742 9.1742 10.7774 10.7774 10.9240 10.9240 11.2910 11.2910 11.4601 11.4601 11.6988 11.6988 12.1885 12.1885 k = 0.0000 0.5000 0.0885 ( 9726 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1840 -9.1840 -4.2737 -4.2737 -2.5573 -2.5573 -1.9573 -1.9573 0.0647 0.0647 0.5352 0.5352 3.6577 3.6577 4.8163 4.8163 5.0345 5.0345 6.5198 6.5198 7.1263 7.1263 8.5373 8.5373 8.7107 8.7107 8.8862 8.8862 9.1346 9.1346 10.7824 10.7824 10.9511 10.9511 11.3034 11.3034 11.4817 11.4817 11.7254 11.7254 12.1876 12.1876 k = 0.0000 0.5000 0.1011 ( 9714 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1841 -9.1841 -4.2733 -4.2733 -2.5559 -2.5559 -1.9569 -1.9569 0.0454 0.0454 0.5538 0.5538 3.6585 3.6585 4.8008 4.8008 5.0343 5.0343 6.5563 6.5563 7.1460 7.1460 8.5169 8.5169 8.6619 8.6619 8.9000 8.9000 9.0932 9.0932 10.7881 10.7881 10.9795 10.9795 11.3150 11.3150 11.5067 11.5067 11.7548 11.7548 12.1867 12.1867 k = 0.0000 0.5000 0.1138 ( 9708 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1843 -9.1843 -4.2729 -4.2729 -2.5545 -2.5545 -1.9564 -1.9564 0.0262 0.0262 0.5722 0.5722 3.6593 3.6593 4.7847 4.7847 5.0340 5.0340 6.5960 6.5960 7.1678 7.1678 8.4945 8.4945 8.6117 8.6117 8.9097 8.9097 9.0530 9.0530 10.7941 10.7941 11.0086 11.0086 11.3255 11.3255 11.5350 11.5350 11.7860 11.7860 12.1856 12.1856 k = 0.0000 0.5000 0.1264 ( 9708 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1844 -9.1844 -4.2725 -4.2725 -2.5530 -2.5530 -1.9559 -1.9559 0.0075 0.0075 0.5902 0.5902 3.6601 3.6601 4.7683 4.7683 5.0338 5.0338 6.6386 6.6386 7.1914 7.1914 8.4670 8.4670 8.5643 8.5643 8.9093 8.9093 9.0205 9.0205 10.8004 10.8004 11.0375 11.0375 11.3347 11.3347 11.5667 11.5667 11.8179 11.8179 12.1845 12.1845 k = 0.0000 0.5000 0.1391 ( 9702 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1845 -9.1845 -4.2721 -4.2721 -2.5515 -2.5515 -1.9554 -1.9554 -0.0106 -0.0106 0.6074 0.6074 3.6609 3.6609 4.7520 4.7520 5.0335 5.0335 6.6834 6.6834 7.2166 7.2166 8.4298 8.4298 8.5253 8.5253 8.8898 8.8898 9.0053 9.0053 10.8069 10.8069 11.0658 11.0658 11.3427 11.3427 11.6018 11.6018 11.8494 11.8494 12.1833 12.1833 k = 0.0000 0.5000 0.1517 ( 9702 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1847 -9.1847 -4.2716 -4.2716 -2.5499 -2.5499 -1.9548 -1.9548 -0.0276 -0.0276 0.6236 0.6236 3.6617 3.6617 4.7360 4.7360 5.0332 5.0332 6.7300 6.7300 7.2430 7.2430 8.3815 8.3815 8.4974 8.4974 8.8531 8.8531 9.0059 9.0059 10.8135 10.8135 11.0928 11.0928 11.3496 11.3496 11.6401 11.6401 11.8795 11.8795 12.1822 12.1822 k = 0.0000 0.5000 0.1644 ( 9702 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1848 -9.1848 -4.2712 -4.2712 -2.5484 -2.5484 -1.9543 -1.9543 -0.0436 -0.0436 0.6387 0.6387 3.6625 3.6625 4.7208 4.7208 5.0330 5.0330 6.7778 6.7778 7.2701 7.2701 8.3261 8.3261 8.4774 8.4774 8.8090 8.8090 9.0135 9.0135 10.8199 10.8199 11.1182 11.1182 11.3554 11.3554 11.6818 11.6818 11.9075 11.9075 12.1810 12.1810 k = 0.0000 0.5000 0.1770 ( 9688 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1850 -9.1850 -4.2708 -4.2708 -2.5469 -2.5469 -1.9538 -1.9538 -0.0583 -0.0583 0.6526 0.6526 3.6633 3.6633 4.7065 4.7065 5.0327 5.0327 6.8261 6.8261 7.2975 7.2975 8.2680 8.2680 8.4618 8.4618 8.7630 8.7630 9.0231 9.0231 10.8262 10.8262 11.1416 11.1416 11.3602 11.3602 11.7267 11.7267 11.9327 11.9327 12.1798 12.1798 k = 0.0000 0.5000 0.1896 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1851 -9.1851 -4.2704 -4.2704 -2.5456 -2.5456 -1.9534 -1.9534 -0.0715 -0.0715 0.6651 0.6651 3.6640 3.6640 4.6933 4.6933 5.0325 5.0325 6.8741 6.8741 7.3246 7.3246 8.2098 8.2098 8.4492 8.4492 8.7177 8.7177 9.0328 9.0328 10.8321 10.8321 11.1627 11.1627 11.3643 11.3643 11.7746 11.7746 11.9549 11.9549 12.1787 12.1787 k = 0.0000 0.5000 0.2023 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4672 -17.4672 -9.1852 -9.1852 -4.2700 -4.2700 -2.5443 -2.5443 -1.9530 -1.9530 -0.0832 -0.0832 0.6762 0.6762 3.6647 3.6647 4.6816 4.6816 5.0323 5.0323 6.9210 6.9210 7.3506 7.3506 8.1534 8.1534 8.4387 8.4387 8.6748 8.6748 9.0419 9.0419 10.8375 10.8375 11.1813 11.1813 11.3677 11.3677 11.8253 11.8253 11.9739 11.9739 12.1777 12.1777 k = 0.0000 0.5000 0.2149 ( 9698 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1853 -9.1853 -4.2697 -4.2697 -2.5432 -2.5432 -1.9526 -1.9526 -0.0933 -0.0933 0.6857 0.6857 3.6653 3.6653 4.6713 4.6713 5.0321 5.0321 6.9655 6.9655 7.3747 7.3747 8.1006 8.1006 8.4301 8.4301 8.6355 8.6355 9.0499 9.0499 10.8423 10.8423 11.1972 11.1972 11.3704 11.3704 11.8786 11.8786 11.9897 11.9897 12.1768 12.1768 k = 0.0000 0.5000 0.2276 ( 9690 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1854 -9.1854 -4.2695 -4.2695 -2.5423 -2.5423 -1.9523 -1.9523 -0.1017 -0.1017 0.6935 0.6935 3.6657 3.6657 4.6628 4.6628 5.0320 5.0320 7.0062 7.0062 7.3960 7.3960 8.0531 8.0531 8.4233 8.4233 8.6011 8.6011 9.0567 9.0567 10.8464 10.8464 11.2104 11.2104 11.3725 11.3725 11.9337 11.9337 12.0029 12.0029 12.1760 12.1760 k = 0.0000 0.5000 0.2402 ( 9690 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1854 -9.1854 -4.2692 -4.2692 -2.5415 -2.5415 -1.9520 -1.9520 -0.1082 -0.1082 0.6997 0.6997 3.6661 3.6661 4.6560 4.6560 5.0318 5.0318 7.0412 7.0412 7.4137 7.4137 8.0129 8.0129 8.4181 8.4181 8.5728 8.5728 9.0621 9.0621 10.8497 10.8497 11.2206 11.2206 11.3741 11.3741 11.9875 11.9875 12.0155 12.0155 12.1753 12.1753 k = 0.0000 0.5000 0.2529 ( 9690 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1855 -9.1855 -4.2691 -4.2691 -2.5410 -2.5410 -1.9519 -1.9519 -0.1130 -0.1130 0.7041 0.7041 3.6664 3.6664 4.6511 4.6511 5.0317 5.0317 7.0684 7.0684 7.4269 7.4269 7.9820 7.9820 8.4145 8.4145 8.5515 8.5515 9.0660 9.0660 10.8521 10.8521 11.2280 11.2280 11.3752 11.3752 12.0141 12.0141 12.0516 12.0516 12.1748 12.1748 k = 0.0000 0.5000 0.2655 ( 9688 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1855 -9.1855 -4.2690 -4.2690 -2.5406 -2.5406 -1.9517 -1.9517 -0.1158 -0.1158 0.7068 0.7068 3.6666 3.6666 4.6481 4.6481 5.0317 5.0317 7.0859 7.0859 7.4351 7.4351 7.9625 7.9625 8.4124 8.4124 8.5384 8.5384 9.0684 9.0684 10.8535 10.8535 11.2325 11.2325 11.3759 11.3759 12.0198 12.0198 12.0985 12.0985 12.1743 12.1743 k = 0.0000 0.5000 0.2781 ( 9692 PWs) bands (ev): -46.8553 -46.8553 -46.8548 -46.8548 -23.6505 -23.6505 -23.6235 -23.6235 -23.0946 -23.0946 -23.0615 -23.0615 -22.7579 -22.7579 -22.7469 -22.7469 -17.4671 -17.4671 -9.1855 -9.1855 -4.2690 -4.2690 -2.5405 -2.5405 -1.9517 -1.9517 -0.1168 -0.1168 0.7076 0.7076 3.6667 3.6667 4.6471 4.6471 5.0317 5.0317 7.0919 7.0919 7.4379 7.4379 7.9558 7.9558 8.4117 8.4117 8.5339 8.5339 9.0692 9.0692 10.8540 10.8540 11.2339 11.2339 11.3761 11.3761 12.0214 12.0214 12.1208 12.1208 12.1740 12.1740 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6816 -8.6816 -4.3093 -4.3093 -2.5106 -2.5106 -2.1736 -2.1736 0.2520 0.2520 0.6217 0.6217 3.1264 3.1264 3.1372 3.1372 4.6842 4.6842 7.0109 7.0109 7.2013 7.2013 7.2278 7.2278 7.5234 7.5234 7.6200 7.6200 9.1464 9.1464 10.5264 10.5264 10.5618 10.5618 12.1400 12.1400 12.2839 12.2839 12.2876 12.2876 12.5775 12.5775 k = 0.5000 0.5000 0.0126 ( 9784 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6816 -8.6816 -4.3093 -4.3093 -2.5106 -2.5106 -2.1735 -2.1735 0.2523 0.2523 0.6214 0.6214 3.1264 3.1264 3.1371 3.1371 4.6836 4.6836 7.0120 7.0120 7.1940 7.1940 7.2219 7.2219 7.5326 7.5326 7.6272 7.6272 9.1449 9.1449 10.5259 10.5259 10.5612 10.5612 12.1399 12.1399 12.2839 12.2839 12.2851 12.2851 12.5843 12.5843 k = 0.5000 0.5000 0.0253 ( 9760 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6817 -8.6817 -4.3092 -4.3092 -2.5105 -2.5105 -2.1733 -2.1733 0.2530 0.2530 0.6204 0.6204 3.1261 3.1261 3.1368 3.1368 4.6818 4.6818 7.0151 7.0151 7.1745 7.1745 7.2056 7.2056 7.5577 7.5577 7.6475 7.6475 9.1402 9.1402 10.5243 10.5243 10.5596 10.5596 12.1399 12.1399 12.2783 12.2783 12.2839 12.2839 12.6043 12.6043 k = 0.5000 0.5000 0.0379 ( 9760 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6817 -8.6817 -4.3091 -4.3091 -2.5104 -2.5104 -2.1728 -2.1728 0.2541 0.2541 0.6188 0.6188 3.1258 3.1258 3.1363 3.1363 4.6789 4.6789 7.0194 7.0194 7.1481 7.1481 7.1816 7.1816 7.5942 7.5942 7.6781 7.6781 9.1325 9.1325 10.5217 10.5217 10.5568 10.5568 12.1399 12.1399 12.2686 12.2686 12.2839 12.2839 12.6359 12.6359 k = 0.5000 0.5000 0.0506 ( 9776 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6818 -8.6818 -4.3090 -4.3090 -2.5103 -2.5103 -2.1723 -2.1723 0.2557 0.2557 0.6165 0.6165 3.1253 3.1253 3.1357 3.1357 4.6750 4.6750 7.0230 7.0230 7.1208 7.1208 7.1528 7.1528 7.6380 7.6380 7.7160 7.7160 9.1218 9.1218 10.5181 10.5181 10.5530 10.5530 12.1398 12.1398 12.2575 12.2575 12.2838 12.2838 12.6774 12.6774 k = 0.5000 0.5000 0.0632 ( 9760 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6819 -8.6819 -4.3088 -4.3088 -2.5102 -2.5102 -2.1716 -2.1716 0.2577 0.2577 0.6137 0.6137 3.1246 3.1246 3.1349 3.1349 4.6700 4.6700 7.0200 7.0200 7.1007 7.1007 7.1214 7.1214 7.6863 7.6863 7.7589 7.7589 9.1082 9.1082 10.5135 10.5135 10.5481 10.5481 12.1397 12.1397 12.2461 12.2461 12.2838 12.2838 12.7277 12.7277 k = 0.5000 0.5000 0.0759 ( 9772 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6820 -8.6820 -4.3086 -4.3086 -2.5100 -2.5100 -2.1707 -2.1707 0.2601 0.2601 0.6103 0.6103 3.1239 3.1239 3.1340 3.1340 4.6642 4.6642 7.0035 7.0035 7.0889 7.0889 7.0963 7.0963 7.7374 7.7374 7.8050 7.8050 9.0920 9.0920 10.5079 10.5079 10.5422 10.5422 12.1396 12.1396 12.2351 12.2351 12.2837 12.2837 12.7859 12.7859 k = 0.5000 0.5000 0.0885 ( 9772 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6821 -8.6821 -4.3084 -4.3084 -2.5098 -2.5098 -2.1698 -2.1698 0.2629 0.2629 0.6064 0.6064 3.1230 3.1230 3.1329 3.1329 4.6576 4.6576 6.9765 6.9765 7.0565 7.0565 7.1053 7.1053 7.7900 7.7900 7.8532 7.8532 9.0732 9.0732 10.5014 10.5014 10.5352 10.5352 12.1395 12.1395 12.2249 12.2249 12.2836 12.2836 12.8515 12.8515 k = 0.5000 0.5000 0.1011 ( 9756 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6822 -8.6822 -4.3081 -4.3081 -2.5096 -2.5096 -2.1687 -2.1687 0.2661 0.2661 0.6021 0.6021 3.1221 3.1221 3.1318 3.1318 4.6504 4.6504 6.9459 6.9459 7.0248 7.0248 7.1213 7.1213 7.8433 7.8433 7.9024 7.9024 9.0522 9.0522 10.4940 10.4940 10.5274 10.5274 12.1394 12.1394 12.2156 12.2156 12.2835 12.2835 12.9240 12.9240 k = 0.5000 0.5000 0.1138 ( 9728 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6823 -8.6823 -4.3078 -4.3078 -2.5093 -2.5093 -2.1676 -2.1676 0.2695 0.2695 0.5973 0.5973 3.1211 3.1211 3.1305 3.1305 4.6428 4.6428 6.9150 6.9150 6.9943 6.9943 7.1412 7.1412 7.8967 7.8967 7.9519 7.9519 9.0292 9.0292 10.4858 10.4858 10.5186 10.5186 12.1392 12.1392 12.2073 12.2073 12.2834 12.2834 13.0027 13.0027 k = 0.5000 0.5000 0.1264 ( 9728 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6824 -8.6824 -4.3076 -4.3076 -2.5091 -2.5091 -2.1664 -2.1664 0.2732 0.2732 0.5923 0.5923 3.1201 3.1201 3.1293 3.1293 4.6349 4.6349 6.8849 6.8849 6.9653 6.9653 7.1635 7.1635 7.9493 7.9493 8.0011 8.0011 9.0046 9.0046 10.4770 10.4770 10.5092 10.5092 12.1391 12.1391 12.2000 12.2000 12.2833 12.2833 13.0760 13.0760 k = 0.5000 0.5000 0.1391 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6826 -8.6826 -4.3073 -4.3073 -2.5089 -2.5089 -2.1652 -2.1652 0.2771 0.2771 0.5871 0.5871 3.1190 3.1190 3.1279 3.1279 4.6268 4.6268 6.8565 6.8565 6.9380 6.9380 7.1876 7.1876 8.0007 8.0007 8.0493 8.0493 8.9788 8.9788 10.4676 10.4676 10.4991 10.4991 12.1389 12.1389 12.1935 12.1935 12.2832 12.2832 13.0594 13.0594 k = 0.5000 0.5000 0.1517 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6827 -8.6827 -4.3070 -4.3070 -2.5086 -2.5086 -2.1640 -2.1640 0.2811 0.2811 0.5817 0.5817 3.1179 3.1179 3.1266 3.1266 4.6187 4.6187 6.8300 6.8300 6.9128 6.9128 7.2128 7.2128 8.0502 8.0502 8.0959 8.0959 8.9522 8.9522 10.4578 10.4578 10.4885 10.4885 12.1387 12.1387 12.1880 12.1880 12.2831 12.2831 13.0319 13.0319 k = 0.5000 0.5000 0.1644 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6828 -8.6828 -4.3067 -4.3067 -2.5084 -2.5084 -2.1628 -2.1628 0.2851 0.2851 0.5763 0.5763 3.1169 3.1169 3.1253 3.1253 4.6109 4.6109 6.8057 6.8057 6.8896 6.8896 7.2384 7.2384 8.0972 8.0972 8.1405 8.1405 8.9254 8.9254 10.4478 10.4478 10.4777 10.4777 12.1385 12.1385 12.1832 12.1832 12.2830 12.2830 13.0044 13.0044 k = 0.5000 0.5000 0.1770 ( 9724 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6830 -8.6830 -4.3064 -4.3064 -2.5082 -2.5082 -2.1617 -2.1617 0.2892 0.2892 0.5710 0.5710 3.1159 3.1159 3.1241 3.1241 4.6033 4.6033 6.7837 6.7837 6.8687 6.8687 7.2640 7.2640 8.1412 8.1412 8.1824 8.1824 8.8990 8.8990 10.4378 10.4378 10.4668 10.4668 12.1383 12.1383 12.1791 12.1791 12.2829 12.2829 12.9779 12.9779 k = 0.5000 0.5000 0.1896 ( 9748 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6831 -8.6831 -4.3062 -4.3062 -2.5079 -2.5079 -2.1607 -2.1607 0.2931 0.2931 0.5658 0.5658 3.1149 3.1149 3.1230 3.1230 4.5963 4.5963 6.7641 6.7641 6.8501 6.8501 7.2889 7.2889 8.1815 8.1815 8.2211 8.2211 8.8736 8.8736 10.4281 10.4281 10.4562 10.4562 12.1381 12.1381 12.1757 12.1757 12.2828 12.2828 12.9529 12.9529 k = 0.5000 0.5000 0.2023 ( 9748 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6832 -8.6832 -4.3059 -4.3059 -2.5077 -2.5077 -2.1597 -2.1597 0.2968 0.2968 0.5610 0.5610 3.1141 3.1141 3.1219 3.1219 4.5899 4.5899 6.7470 6.7470 6.8338 6.8338 7.3125 7.3125 8.2176 8.2176 8.2560 8.2560 8.8498 8.8498 10.4188 10.4188 10.4461 10.4461 12.1379 12.1379 12.1728 12.1728 12.2827 12.2827 12.9301 12.9301 k = 0.5000 0.5000 0.2149 ( 9740 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6833 -8.6833 -4.3057 -4.3057 -2.5076 -2.5076 -2.1588 -2.1588 0.3002 0.3002 0.5567 0.5567 3.1133 3.1133 3.1210 3.1210 4.5843 4.5843 6.7324 6.7324 6.8200 6.8200 7.3341 7.3341 8.2490 8.2490 8.2866 8.2866 8.8284 8.8284 10.4104 10.4104 10.4368 10.4368 12.1377 12.1377 12.1705 12.1705 12.2826 12.2826 12.9099 12.9099 k = 0.5000 0.5000 0.2276 ( 9748 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6834 -8.6834 -4.3056 -4.3056 -2.5074 -2.5074 -2.1581 -2.1581 0.3032 0.3032 0.5529 0.5529 3.1127 3.1127 3.1202 3.1202 4.5796 4.5796 6.7204 6.7204 6.8086 6.8086 7.3529 7.3529 8.2751 8.2751 8.3124 8.3124 8.8099 8.8099 10.4030 10.4030 10.4287 10.4287 12.1375 12.1375 12.1687 12.1687 12.2826 12.2826 12.8929 12.8929 k = 0.5000 0.5000 0.2402 ( 9732 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6834 -8.6834 -4.3054 -4.3054 -2.5073 -2.5073 -2.1575 -2.1575 0.3056 0.3056 0.5498 0.5498 3.1122 3.1122 3.1195 3.1195 4.5758 4.5758 6.7111 6.7111 6.7998 6.7998 7.3684 7.3684 8.2957 8.2957 8.3330 8.3330 8.7950 8.7950 10.3969 10.3969 10.4220 10.4220 12.1374 12.1374 12.1673 12.1673 12.2825 12.2825 12.8792 12.8792 k = 0.5000 0.5000 0.2529 ( 9732 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6835 -8.6835 -4.3053 -4.3053 -2.5072 -2.5072 -2.1571 -2.1571 0.3074 0.3074 0.5475 0.5475 3.1118 3.1118 3.1191 3.1191 4.5730 4.5730 6.7044 6.7044 6.7934 6.7934 7.3800 7.3800 8.3105 8.3105 8.3480 8.3480 8.7840 8.7840 10.3924 10.3924 10.4170 10.4170 12.1373 12.1373 12.1663 12.1663 12.2825 12.2825 12.8692 12.8692 k = 0.5000 0.5000 0.2655 ( 9712 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6835 -8.6835 -4.3053 -4.3053 -2.5072 -2.5072 -2.1569 -2.1569 0.3085 0.3085 0.5461 0.5461 3.1116 3.1116 3.1188 3.1188 4.5713 4.5713 6.7004 6.7004 6.7896 6.7896 7.3871 7.3871 8.3194 8.3194 8.3571 8.3571 8.7774 8.7774 10.3896 10.3896 10.4140 10.4140 12.1372 12.1372 12.1657 12.1657 12.2825 12.2825 12.8632 12.8632 k = 0.5000 0.5000 0.2781 ( 9720 PWs) bands (ev): -46.8541 -46.8541 -46.8541 -46.8541 -23.8373 -23.8373 -23.5838 -23.5838 -23.1989 -23.1989 -22.9786 -22.9786 -22.8320 -22.8320 -22.5533 -22.5533 -17.4200 -17.4200 -8.6835 -8.6835 -4.3052 -4.3052 -2.5072 -2.5072 -2.1568 -2.1568 0.3089 0.3089 0.5457 0.5457 3.1115 3.1115 3.1187 3.1187 4.5708 4.5708 6.6991 6.6991 6.7883 6.7883 7.3895 7.3895 8.3224 8.3224 8.3601 8.3601 8.7751 8.7751 10.3887 10.3887 10.4129 10.4129 12.1372 12.1372 12.1656 12.1656 12.2825 12.2825 12.8612 12.8612 Writing output data file BaTi2As2O.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 514.62s CPU 520.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 514.61s CPU 520.19s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.16s WALL ( 341 calls) cegterg : 490.67s CPU 495.28s WALL ( 734 calls) Called by sum_band: Called by *egterg: h_psi : 289.12s CPU 292.48s WALL ( 13851 calls) s_psi : 11.84s CPU 11.83s WALL ( 13851 calls) g_psi : 1.18s CPU 1.16s WALL ( 12776 calls) cdiaghg : 126.62s CPU 128.27s WALL ( 13117 calls) cegterg:over : 27.90s CPU 28.05s WALL ( 12776 calls) cegterg:upda : 27.62s CPU 27.48s WALL ( 12776 calls) cegterg:last : 14.03s CPU 14.09s WALL ( 2113 calls) cdiaghg:chol : 7.25s CPU 7.42s WALL ( 13117 calls) cdiaghg:inve : 4.76s CPU 5.11s WALL ( 13117 calls) cdiaghg:para : 8.62s CPU 8.45s WALL ( 26234 calls) Called by h_psi: h_psi:vloc : 255.23s CPU 258.09s WALL ( 13851 calls) h_psi:vnl : 32.79s CPU 33.22s WALL ( 13851 calls) add_vuspsi : 16.64s CPU 16.56s WALL ( 13851 calls) General routines calbec : 16.10s CPU 16.62s WALL ( 13851 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 242.50s CPU 245.20s WALL ( 1577320 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.37s CPU 0.55s WALL ( 682 calls) Parallel routines fft_scatter : 79.78s CPU 81.19s WALL ( 1577343 calls) PWSCF : 9m 6.87s CPU 9m48.75s WALL This run was terminated on: 19:44:13 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=