Program PWSCF v.5.1.1 starts on 6Nov2015 at 3:56:27 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Li4CO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 39 11 1293 1293 199 Max 40 40 12 1300 1300 202 Sum 1893 1893 553 62213 62213 9627 bravais-lattice index = 14 lattice parameter (alat) = 7.6171 a.u. unit-cell volume = 441.9438 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.617089 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for O read from file: /home/autes/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 PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) 24 Sym. Ops. (no 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 = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 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 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033003 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033003 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033003 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033003 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033003 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033003 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033003 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033003 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033003 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033003 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033003 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033003 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033003 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033003 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033003 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033003 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033003 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033003 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033003 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033003 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033003 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033003 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033003 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033003 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033003 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033003 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033003 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033003 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033003 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033003 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033003 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033003 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033003 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033003 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033003 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033003 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033003 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0033003 k( 83) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0033003 k( 84) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0033003 k( 85) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0033003 k( 86) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0033003 k( 87) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0033003 k( 88) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033003 k( 89) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0033003 k( 90) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0033003 k( 91) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0033003 k( 92) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0033003 k( 93) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0033003 k( 94) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0033003 k( 95) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033003 k( 96) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0033003 k( 97) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0033003 k( 98) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0033003 k( 99) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0033003 k( 100) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0033003 k( 101) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0033003 k( 102) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033003 k( 103) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0033003 k( 104) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0033003 k( 105) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033003 k( 106) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0033003 k( 107) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0033003 k( 108) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0033003 k( 109) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 110) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0033003 k( 111) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0033003 k( 112) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0033003 k( 113) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0033003 k( 114) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0033003 k( 115) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0033003 k( 116) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033003 k( 117) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0033003 k( 118) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0033003 k( 119) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0033003 k( 120) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0033003 k( 121) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0033003 k( 122) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0033003 k( 123) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 124) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0033003 k( 125) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0033003 k( 126) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0033003 k( 127) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0033003 k( 128) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0033003 k( 129) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0033003 k( 130) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 131) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0033003 k( 132) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0033003 k( 133) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0033003 k( 134) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0033003 k( 135) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0033003 k( 136) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 139) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033003 k( 140) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033003 k( 141) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033003 k( 142) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033003 k( 143) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033003 k( 144) = ( 0.0441177 0.0441176 0.0441176), wk = 0.0033003 k( 145) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033003 k( 146) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033003 k( 147) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033003 k( 148) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033003 k( 149) = ( 0.0808824 0.0808823 0.0808823), wk = 0.0033003 k( 150) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033003 k( 151) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033003 k( 152) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033003 k( 153) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033003 k( 154) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033003 k( 155) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033003 k( 156) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033003 k( 157) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033003 k( 158) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033003 k( 159) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033003 k( 160) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033003 k( 161) = ( 0.1691177 0.1691176 0.1691176), wk = 0.0033003 k( 162) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033003 k( 163) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033003 k( 164) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033003 k( 165) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033003 k( 166) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033003 k( 167) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033003 k( 168) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033003 k( 169) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033003 k( 170) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033003 k( 171) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033003 k( 172) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033003 k( 173) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033003 k( 174) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033003 k( 175) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033003 k( 176) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033003 k( 177) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033003 k( 178) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0033003 k( 179) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033003 k( 180) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033003 k( 181) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033003 k( 182) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033003 k( 183) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033003 k( 184) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033003 k( 185) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033003 k( 186) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033003 k( 187) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033003 k( 188) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033003 k( 189) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033003 k( 190) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033003 k( 191) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033003 k( 192) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033003 k( 193) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033003 k( 194) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033003 k( 195) = ( 0.4191177 0.4191176 0.4191176), wk = 0.0033003 k( 196) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033003 k( 197) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033003 k( 198) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033003 k( 199) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033003 k( 200) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033003 k( 201) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033003 k( 202) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033003 k( 203) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033003 k( 204) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033003 k( 205) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033003 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 208) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0033003 k( 209) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0033003 k( 210) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0033003 k( 211) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0033003 k( 212) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0033003 k( 213) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0033003 k( 214) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0033003 k( 215) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0033003 k( 216) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0033003 k( 217) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0033003 k( 218) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0033003 k( 219) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0033003 k( 220) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0033003 k( 221) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0033003 k( 222) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0033003 k( 223) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0033003 k( 224) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0033003 k( 225) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0033003 k( 226) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0033003 k( 227) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0033003 k( 228) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0033003 k( 229) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0033003 k( 230) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0033003 k( 231) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0033003 k( 232) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0033003 k( 233) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0033003 k( 234) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0033003 k( 235) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033003 k( 236) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0033003 k( 237) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0033003 k( 238) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0033003 k( 239) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0033003 k( 240) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0033003 k( 241) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0033003 k( 242) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0033003 k( 243) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0033003 k( 244) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0033003 k( 245) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0033003 k( 246) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0033003 k( 247) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0033003 k( 248) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0033003 k( 249) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0033003 k( 250) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0033003 k( 251) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0033003 k( 252) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0033003 k( 253) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0033003 k( 254) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0033003 k( 255) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0033003 k( 256) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0033003 k( 257) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0033003 k( 258) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0033003 k( 259) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0033003 k( 260) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0033003 k( 261) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0033003 k( 262) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033003 k( 264) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033003 k( 265) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033003 k( 266) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033003 k( 267) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033003 k( 268) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033003 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033003 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033003 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033003 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033003 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033003 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033003 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033003 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033003 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033003 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033003 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033003 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033003 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033003 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033003 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033003 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033003 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033003 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033003 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033003 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033003 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033003 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033003 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033003 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033003 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033003 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033003 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033003 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033003 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033003 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033003 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033003 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033003 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033003 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033003 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033003 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033003 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033003 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033003 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033003 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033003 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033003 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033003 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033003 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033003 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033003 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033003 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033003 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033003 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033003 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033003 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033003 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033003 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033003 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033003 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033003 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033003 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033003 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033003 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033003 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0033003 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0033003 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033003 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033003 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033003 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033003 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033003 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033003 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033003 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033003 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033003 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033003 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 82) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0033003 k( 83) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0033003 k( 84) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0033003 k( 85) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0033003 k( 86) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0033003 k( 87) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0033003 k( 88) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0033003 k( 89) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0033003 k( 90) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0033003 k( 91) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0033003 k( 92) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0033003 k( 93) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0033003 k( 94) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0033003 k( 95) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0033003 k( 96) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0033003 k( 97) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0033003 k( 98) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0033003 k( 99) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0033003 k( 100) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0033003 k( 101) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0033003 k( 102) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033003 k( 103) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0033003 k( 104) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0033003 k( 105) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0033003 k( 106) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0033003 k( 107) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0033003 k( 108) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0033003 k( 109) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033003 k( 110) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0033003 k( 111) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0033003 k( 112) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0033003 k( 113) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0033003 k( 114) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0033003 k( 115) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0033003 k( 116) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0033003 k( 117) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0033003 k( 118) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0033003 k( 119) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0033003 k( 120) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0033003 k( 121) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033003 k( 122) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0033003 k( 123) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033003 k( 124) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0033003 k( 125) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0033003 k( 126) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0033003 k( 127) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0033003 k( 128) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0033003 k( 129) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0033003 k( 130) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033003 k( 131) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0033003 k( 132) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0033003 k( 133) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0033003 k( 134) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0033003 k( 135) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0033003 k( 136) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 139) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033003 k( 140) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033003 k( 141) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033003 k( 142) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033003 k( 143) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033003 k( 144) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0033003 k( 145) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033003 k( 146) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033003 k( 147) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033003 k( 148) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033003 k( 149) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0033003 k( 150) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033003 k( 151) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033003 k( 152) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033003 k( 153) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033003 k( 154) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033003 k( 155) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033003 k( 156) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033003 k( 157) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033003 k( 158) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033003 k( 159) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033003 k( 160) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033003 k( 161) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0033003 k( 162) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033003 k( 163) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033003 k( 164) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033003 k( 165) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033003 k( 166) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033003 k( 167) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033003 k( 168) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033003 k( 169) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033003 k( 170) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033003 k( 171) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033003 k( 172) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033003 k( 173) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033003 k( 174) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033003 k( 175) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033003 k( 176) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033003 k( 177) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033003 k( 178) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0033003 k( 179) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033003 k( 180) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033003 k( 181) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033003 k( 182) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033003 k( 183) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033003 k( 184) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033003 k( 185) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033003 k( 186) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033003 k( 187) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033003 k( 188) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033003 k( 189) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033003 k( 190) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033003 k( 191) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033003 k( 192) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033003 k( 193) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033003 k( 194) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033003 k( 195) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0033003 k( 196) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033003 k( 197) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033003 k( 198) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033003 k( 199) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033003 k( 200) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033003 k( 201) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033003 k( 202) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033003 k( 203) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033003 k( 204) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033003 k( 205) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033003 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 k( 208) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0033003 k( 209) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0033003 k( 210) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0033003 k( 211) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0033003 k( 212) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0033003 k( 213) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0033003 k( 214) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0033003 k( 215) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0033003 k( 216) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0033003 k( 217) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0033003 k( 218) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0033003 k( 219) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0033003 k( 220) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0033003 k( 221) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0033003 k( 222) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0033003 k( 223) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0033003 k( 224) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0033003 k( 225) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0033003 k( 226) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0033003 k( 227) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0033003 k( 228) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0033003 k( 229) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0033003 k( 230) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0033003 k( 231) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0033003 k( 232) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0033003 k( 233) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0033003 k( 234) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0033003 k( 235) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033003 k( 236) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0033003 k( 237) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0033003 k( 238) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0033003 k( 239) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0033003 k( 240) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0033003 k( 241) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0033003 k( 242) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0033003 k( 243) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0033003 k( 244) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0033003 k( 245) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0033003 k( 246) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0033003 k( 247) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0033003 k( 248) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0033003 k( 249) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0033003 k( 250) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0033003 k( 251) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0033003 k( 252) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0033003 k( 253) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0033003 k( 254) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0033003 k( 255) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0033003 k( 256) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0033003 k( 257) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0033003 k( 258) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0033003 k( 259) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0033003 k( 260) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0033003 k( 261) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0033003 k( 262) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0033003 k( 263) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033003 k( 264) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033003 k( 265) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033003 k( 266) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033003 k( 267) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033003 k( 268) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033003 k( 269) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033003 k( 270) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033003 k( 271) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033003 k( 272) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033003 k( 273) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033003 k( 274) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033003 k( 275) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033003 k( 276) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033003 k( 277) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033003 k( 278) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033003 k( 279) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033003 k( 280) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033003 k( 281) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033003 k( 282) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033003 k( 283) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033003 k( 284) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033003 k( 285) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033003 k( 286) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033003 k( 287) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033003 k( 288) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033003 k( 289) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033003 k( 290) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033003 k( 291) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033003 k( 292) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033003 k( 293) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033003 k( 294) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033003 k( 295) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033003 k( 296) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033003 k( 297) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033003 k( 298) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033003 k( 299) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033003 k( 300) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033003 k( 301) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033003 k( 302) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033003 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033003 Dense grid: 62213 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 328, 48) NL pseudopotentials 0.32 Mb ( 164, 126) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1295) G-vector shells 0.00 Mb ( 329) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 328, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li4CO4.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 50.8 secs Computing kpt #: 5 total cpu time spent up to now is 53.7 secs Computing kpt #: 6 total cpu time spent up to now is 60.2 secs Computing kpt #: 7 total cpu time spent up to now is 62.8 secs Computing kpt #: 8 total cpu time spent up to now is 65.7 secs Computing kpt #: 9 total cpu time spent up to now is 68.4 secs Computing kpt #: 10 total cpu time spent up to now is 71.1 secs Computing kpt #: 11 total cpu time spent up to now is 73.8 secs Computing kpt #: 12 total cpu time spent up to now is 77.6 secs Computing kpt #: 13 total cpu time spent up to now is 80.6 secs Computing kpt #: 14 total cpu time spent up to now is 83.5 secs Computing kpt #: 15 total cpu time spent up to now is 86.2 secs Computing kpt #: 16 total cpu time spent up to now is 88.9 secs Computing kpt #: 17 total cpu time spent up to now is 91.8 secs Computing kpt #: 18 total cpu time spent up to now is 94.5 secs Computing kpt #: 19 total cpu time spent up to now is 97.1 secs Computing kpt #: 20 total cpu time spent up to now is 99.8 secs Computing kpt #: 21 total cpu time spent up to now is 102.6 secs Computing kpt #: 22 total cpu time spent up to now is 105.3 secs Computing kpt #: 23 total cpu time spent up to now is 108.1 secs Computing kpt #: 24 total cpu time spent up to now is 111.0 secs Computing kpt #: 25 total cpu time spent up to now is 114.1 secs Computing kpt #: 26 total cpu time spent up to now is 117.5 secs Computing kpt #: 27 total cpu time spent up to now is 120.9 secs Computing kpt #: 28 total cpu time spent up to now is 124.0 secs Computing kpt #: 29 total cpu time spent up to now is 127.1 secs Computing kpt #: 30 total cpu time spent up to now is 130.0 secs Computing kpt #: 31 total cpu time spent up to now is 133.0 secs Computing kpt #: 32 total cpu time spent up to now is 136.1 secs Computing kpt #: 33 total cpu time spent up to now is 139.3 secs Computing kpt #: 34 total cpu time spent up to now is 142.3 secs Computing kpt #: 35 total cpu time spent up to now is 145.5 secs Computing kpt #: 36 total cpu time spent up to now is 149.0 secs Computing kpt #: 37 total cpu time spent up to now is 152.0 secs Computing kpt #: 38 total cpu time spent up to now is 155.2 secs Computing kpt #: 39 total cpu time spent up to now is 158.2 secs Computing kpt #: 40 total cpu time spent up to now is 161.2 secs Computing kpt #: 41 total cpu time spent up to now is 164.2 secs Computing kpt #: 42 total cpu time spent up to now is 167.3 secs Computing kpt #: 43 total cpu time spent up to now is 170.3 secs Computing kpt #: 44 total cpu time spent up to now is 173.3 secs Computing kpt #: 45 total cpu time spent up to now is 176.4 secs Computing kpt #: 46 total cpu time spent up to now is 179.5 secs Computing kpt #: 47 total cpu time spent up to now is 182.6 secs Computing kpt #: 48 total cpu time spent up to now is 185.6 secs Computing kpt #: 49 total cpu time spent up to now is 189.0 secs Computing kpt #: 50 total cpu time spent up to now is 192.9 secs Computing kpt #: 51 total cpu time spent up to now is 196.4 secs Computing kpt #: 52 total cpu time spent up to now is 199.5 secs Computing kpt #: 53 total cpu time spent up to now is 202.5 secs Computing kpt #: 54 total cpu time spent up to now is 205.5 secs Computing kpt #: 55 total cpu time spent up to now is 208.5 secs Computing kpt #: 56 total cpu time spent up to now is 211.6 secs Computing kpt #: 57 total cpu time spent up to now is 214.7 secs Computing kpt #: 58 total cpu time spent up to now is 217.7 secs Computing kpt #: 59 total cpu time spent up to now is 220.8 secs Computing kpt #: 60 total cpu time spent up to now is 223.9 secs Computing kpt #: 61 total cpu time spent up to now is 226.9 secs Computing kpt #: 62 total cpu time spent up to now is 229.9 secs Computing kpt #: 63 total cpu time spent up to now is 233.0 secs Computing kpt #: 64 total cpu time spent up to now is 237.0 secs Computing kpt #: 65 total cpu time spent up to now is 240.1 secs Computing kpt #: 66 total cpu time spent up to now is 243.6 secs Computing kpt #: 67 total cpu time spent up to now is 246.6 secs Computing kpt #: 68 total cpu time spent up to now is 249.7 secs Computing kpt #: 69 total cpu time spent up to now is 252.5 secs Computing kpt #: 70 total cpu time spent up to now is 255.5 secs Computing kpt #: 71 total cpu time spent up to now is 258.4 secs Computing kpt #: 72 total cpu time spent up to now is 261.3 secs Computing kpt #: 73 total cpu time spent up to now is 264.4 secs Computing kpt #: 74 total cpu time spent up to now is 267.2 secs Computing kpt #: 75 total cpu time spent up to now is 270.2 secs Computing kpt #: 76 total cpu time spent up to now is 273.0 secs Computing kpt #: 77 total cpu time spent up to now is 275.8 secs Computing kpt #: 78 total cpu time spent up to now is 278.6 secs Computing kpt #: 79 total cpu time spent up to now is 281.3 secs Computing kpt #: 80 total cpu time spent up to now is 283.9 secs Computing kpt #: 81 total cpu time spent up to now is 286.5 secs Computing kpt #: 82 total cpu time spent up to now is 289.3 secs Computing kpt #: 83 total cpu time spent up to now is 292.3 secs Computing kpt #: 84 total cpu time spent up to now is 296.1 secs Computing kpt #: 85 total cpu time spent up to now is 299.2 secs Computing kpt #: 86 total cpu time spent up to now is 301.9 secs Computing kpt #: 87 total cpu time spent up to now is 304.7 secs Computing kpt #: 88 total cpu time spent up to now is 307.4 secs Computing kpt #: 89 total cpu time spent up to now is 310.2 secs Computing kpt #: 90 total cpu time spent up to now is 313.0 secs Computing kpt #: 91 total cpu time spent up to now is 315.8 secs Computing kpt #: 92 total cpu time spent up to now is 318.6 secs Computing kpt #: 93 total cpu time spent up to now is 321.4 secs Computing kpt #: 94 total cpu time spent up to now is 324.1 secs Computing kpt #: 95 total cpu time spent up to now is 327.3 secs Computing kpt #: 96 total cpu time spent up to now is 330.0 secs Computing kpt #: 97 total cpu time spent up to now is 332.7 secs Computing kpt #: 98 total cpu time spent up to now is 335.8 secs Computing kpt #: 99 total cpu time spent up to now is 338.6 secs Computing kpt #: 100 total cpu time spent up to now is 341.4 secs Computing kpt #: 101 total cpu time spent up to now is 344.0 secs Computing kpt #: 102 total cpu time spent up to now is 346.6 secs Computing kpt #: 103 total cpu time spent up to now is 349.3 secs Computing kpt #: 104 total cpu time spent up to now is 352.1 secs Computing kpt #: 105 total cpu time spent up to now is 354.8 secs Computing kpt #: 106 total cpu time spent up to now is 357.5 secs Computing kpt #: 107 total cpu time spent up to now is 360.0 secs Computing kpt #: 108 total cpu time spent up to now is 362.6 secs Computing kpt #: 109 total cpu time spent up to now is 365.3 secs Computing kpt #: 110 total cpu time spent up to now is 367.8 secs Computing kpt #: 111 total cpu time spent up to now is 370.5 secs Computing kpt #: 112 total cpu time spent up to now is 373.1 secs Computing kpt #: 113 total cpu time spent up to now is 375.8 secs Computing kpt #: 114 total cpu time spent up to now is 378.4 secs Computing kpt #: 115 total cpu time spent up to now is 381.1 secs Computing kpt #: 116 total cpu time spent up to now is 383.9 secs Computing kpt #: 117 total cpu time spent up to now is 386.6 secs Computing kpt #: 118 total cpu time spent up to now is 389.3 secs Computing kpt #: 119 total cpu time spent up to now is 392.0 secs Computing kpt #: 120 total cpu time spent up to now is 394.7 secs Computing kpt #: 121 total cpu time spent up to now is 397.4 secs Computing kpt #: 122 total cpu time spent up to now is 400.1 secs Computing kpt #: 123 total cpu time spent up to now is 402.9 secs Computing kpt #: 124 total cpu time spent up to now is 405.5 secs Computing kpt #: 125 total cpu time spent up to now is 408.2 secs Computing kpt #: 126 total cpu time spent up to now is 411.1 secs Computing kpt #: 127 total cpu time spent up to now is 413.8 secs Computing kpt #: 128 total cpu time spent up to now is 416.9 secs Computing kpt #: 129 total cpu time spent up to now is 419.9 secs Computing kpt #: 130 total cpu time spent up to now is 423.1 secs Computing kpt #: 131 total cpu time spent up to now is 426.0 secs Computing kpt #: 132 total cpu time spent up to now is 429.0 secs Computing kpt #: 133 total cpu time spent up to now is 432.0 secs Computing kpt #: 134 total cpu time spent up to now is 435.1 secs Computing kpt #: 135 total cpu time spent up to now is 438.1 secs Computing kpt #: 136 total cpu time spent up to now is 441.1 secs Computing kpt #: 137 total cpu time spent up to now is 444.1 secs Computing kpt #: 138 total cpu time spent up to now is 447.0 secs Computing kpt #: 139 total cpu time spent up to now is 450.0 secs Computing kpt #: 140 total cpu time spent up to now is 453.1 secs Computing kpt #: 141 total cpu time spent up to now is 456.0 secs Computing kpt #: 142 total cpu time spent up to now is 458.9 secs Computing kpt #: 143 total cpu time spent up to now is 461.8 secs Computing kpt #: 144 total cpu time spent up to now is 464.4 secs Computing kpt #: 145 total cpu time spent up to now is 467.1 secs Computing kpt #: 146 total cpu time spent up to now is 469.8 secs Computing kpt #: 147 total cpu time spent up to now is 472.5 secs Computing kpt #: 148 total cpu time spent up to now is 475.2 secs Computing kpt #: 149 total cpu time spent up to now is 478.0 secs Computing kpt #: 150 total cpu time spent up to now is 480.7 secs Computing kpt #: 151 total cpu time spent up to now is 483.4 secs Computing kpt #: 152 total cpu time spent up to now is 486.2 secs Computing kpt #: 153 total cpu time spent up to now is 488.8 secs Computing kpt #: 154 total cpu time spent up to now is 491.5 secs Computing kpt #: 155 total cpu time spent up to now is 494.1 secs Computing kpt #: 156 total cpu time spent up to now is 496.8 secs Computing kpt #: 157 total cpu time spent up to now is 499.4 secs Computing kpt #: 158 total cpu time spent up to now is 502.0 secs Computing kpt #: 159 total cpu time spent up to now is 504.6 secs Computing kpt #: 160 total cpu time spent up to now is 507.1 secs Computing kpt #: 161 total cpu time spent up to now is 509.6 secs Computing kpt #: 162 total cpu time spent up to now is 512.1 secs Computing kpt #: 163 total cpu time spent up to now is 514.6 secs Computing kpt #: 164 total cpu time spent up to now is 517.0 secs Computing kpt #: 165 total cpu time spent up to now is 519.6 secs Computing kpt #: 166 total cpu time spent up to now is 522.2 secs Computing kpt #: 167 total cpu time spent up to now is 524.6 secs Computing kpt #: 168 total cpu time spent up to now is 527.0 secs Computing kpt #: 169 total cpu time spent up to now is 529.5 secs Computing kpt #: 170 total cpu time spent up to now is 532.6 secs Computing kpt #: 171 total cpu time spent up to now is 535.2 secs Computing kpt #: 172 total cpu time spent up to now is 537.7 secs Computing kpt #: 173 total cpu time spent up to now is 540.2 secs Computing kpt #: 174 total cpu time spent up to now is 542.7 secs Computing kpt #: 175 total cpu time spent up to now is 545.5 secs Computing kpt #: 176 total cpu time spent up to now is 548.0 secs Computing kpt #: 177 total cpu time spent up to now is 552.6 secs Computing kpt #: 178 total cpu time spent up to now is 555.1 secs Computing kpt #: 179 total cpu time spent up to now is 557.6 secs Computing kpt #: 180 total cpu time spent up to now is 560.0 secs Computing kpt #: 181 total cpu time spent up to now is 562.5 secs Computing kpt #: 182 total cpu time spent up to now is 564.7 secs Computing kpt #: 183 total cpu time spent up to now is 566.9 secs Computing kpt #: 184 total cpu time spent up to now is 569.2 secs Computing kpt #: 185 total cpu time spent up to now is 571.4 secs Computing kpt #: 186 total cpu time spent up to now is 573.6 secs Computing kpt #: 187 total cpu time spent up to now is 575.8 secs Computing kpt #: 188 total cpu time spent up to now is 577.9 secs Computing kpt #: 189 total cpu time spent up to now is 580.0 secs Computing kpt #: 190 total cpu time spent up to now is 582.2 secs Computing kpt #: 191 total cpu time spent up to now is 584.4 secs Computing kpt #: 192 total cpu time spent up to now is 586.6 secs Computing kpt #: 193 total cpu time spent up to now is 588.7 secs Computing kpt #: 194 total cpu time spent up to now is 591.0 secs Computing kpt #: 195 total cpu time spent up to now is 593.2 secs Computing kpt #: 196 total cpu time spent up to now is 596.2 secs Computing kpt #: 197 total cpu time spent up to now is 598.5 secs Computing kpt #: 198 total cpu time spent up to now is 600.6 secs Computing kpt #: 199 total cpu time spent up to now is 602.8 secs Computing kpt #: 200 total cpu time spent up to now is 605.0 secs Computing kpt #: 201 total cpu time spent up to now is 607.1 secs Computing kpt #: 202 total cpu time spent up to now is 609.2 secs Computing kpt #: 203 total cpu time spent up to now is 611.3 secs Computing kpt #: 204 total cpu time spent up to now is 613.5 secs Computing kpt #: 205 total cpu time spent up to now is 616.2 secs Computing kpt #: 206 total cpu time spent up to now is 618.3 secs Computing kpt #: 207 total cpu time spent up to now is 620.4 secs Computing kpt #: 208 total cpu time spent up to now is 622.5 secs Computing kpt #: 209 total cpu time spent up to now is 624.6 secs Computing kpt #: 210 total cpu time spent up to now is 626.7 secs Computing kpt #: 211 total cpu time spent up to now is 628.8 secs Computing kpt #: 212 total cpu time spent up to now is 630.9 secs Computing kpt #: 213 total cpu time spent up to now is 633.1 secs Computing kpt #: 214 total cpu time spent up to now is 635.3 secs Computing kpt #: 215 total cpu time spent up to now is 637.4 secs Computing kpt #: 216 total cpu time spent up to now is 639.5 secs Computing kpt #: 217 total cpu time spent up to now is 641.7 secs Computing kpt #: 218 total cpu time spent up to now is 644.0 secs Computing kpt #: 219 total cpu time spent up to now is 646.2 secs Computing kpt #: 220 total cpu time spent up to now is 648.6 secs Computing kpt #: 221 total cpu time spent up to now is 650.8 secs Computing kpt #: 222 total cpu time spent up to now is 653.1 secs Computing kpt #: 223 total cpu time spent up to now is 655.3 secs Computing kpt #: 224 total cpu time spent up to now is 657.5 secs Computing kpt #: 225 total cpu time spent up to now is 659.7 secs Computing kpt #: 226 total cpu time spent up to now is 661.9 secs Computing kpt #: 227 total cpu time spent up to now is 664.2 secs Computing kpt #: 228 total cpu time spent up to now is 666.5 secs Computing kpt #: 229 total cpu time spent up to now is 668.7 secs Computing kpt #: 230 total cpu time spent up to now is 671.0 secs Computing kpt #: 231 total cpu time spent up to now is 673.4 secs Computing kpt #: 232 total cpu time spent up to now is 675.8 secs Computing kpt #: 233 total cpu time spent up to now is 678.3 secs Computing kpt #: 234 total cpu time spent up to now is 680.8 secs Computing kpt #: 235 total cpu time spent up to now is 683.4 secs Computing kpt #: 236 total cpu time spent up to now is 686.0 secs Computing kpt #: 237 total cpu time spent up to now is 688.9 secs Computing kpt #: 238 total cpu time spent up to now is 691.8 secs Computing kpt #: 239 total cpu time spent up to now is 694.7 secs Computing kpt #: 240 total cpu time spent up to now is 697.7 secs Computing kpt #: 241 total cpu time spent up to now is 701.2 secs Computing kpt #: 242 total cpu time spent up to now is 704.1 secs Computing kpt #: 243 total cpu time spent up to now is 706.9 secs Computing kpt #: 244 total cpu time spent up to now is 710.0 secs Computing kpt #: 245 total cpu time spent up to now is 712.7 secs Computing kpt #: 246 total cpu time spent up to now is 715.5 secs Computing kpt #: 247 total cpu time spent up to now is 718.2 secs Computing kpt #: 248 total cpu time spent up to now is 720.9 secs Computing kpt #: 249 total cpu time spent up to now is 723.7 secs Computing kpt #: 250 total cpu time spent up to now is 726.4 secs Computing kpt #: 251 total cpu time spent up to now is 729.2 secs Computing kpt #: 252 total cpu time spent up to now is 732.0 secs Computing kpt #: 253 total cpu time spent up to now is 734.8 secs Computing kpt #: 254 total cpu time spent up to now is 737.6 secs Computing kpt #: 255 total cpu time spent up to now is 740.5 secs Computing kpt #: 256 total cpu time spent up to now is 743.3 secs Computing kpt #: 257 total cpu time spent up to now is 746.1 secs Computing kpt #: 258 total cpu time spent up to now is 749.1 secs Computing kpt #: 259 total cpu time spent up to now is 752.1 secs Computing kpt #: 260 total cpu time spent up to now is 755.1 secs Computing kpt #: 261 total cpu time spent up to now is 758.2 secs Computing kpt #: 262 total cpu time spent up to now is 761.2 secs Computing kpt #: 263 total cpu time spent up to now is 764.3 secs Computing kpt #: 264 total cpu time spent up to now is 767.0 secs Computing kpt #: 265 total cpu time spent up to now is 769.7 secs Computing kpt #: 266 total cpu time spent up to now is 772.5 secs Computing kpt #: 267 total cpu time spent up to now is 775.2 secs Computing kpt #: 268 total cpu time spent up to now is 777.9 secs Computing kpt #: 269 total cpu time spent up to now is 780.5 secs Computing kpt #: 270 total cpu time spent up to now is 783.2 secs Computing kpt #: 271 total cpu time spent up to now is 785.8 secs Computing kpt #: 272 total cpu time spent up to now is 788.4 secs Computing kpt #: 273 total cpu time spent up to now is 790.8 secs Computing kpt #: 274 total cpu time spent up to now is 793.2 secs Computing kpt #: 275 total cpu time spent up to now is 795.7 secs Computing kpt #: 276 total cpu time spent up to now is 798.1 secs Computing kpt #: 277 total cpu time spent up to now is 800.4 secs Computing kpt #: 278 total cpu time spent up to now is 802.8 secs Computing kpt #: 279 total cpu time spent up to now is 805.1 secs Computing kpt #: 280 total cpu time spent up to now is 807.4 secs Computing kpt #: 281 total cpu time spent up to now is 809.6 secs Computing kpt #: 282 total cpu time spent up to now is 811.8 secs Computing kpt #: 283 total cpu time spent up to now is 814.0 secs Computing kpt #: 284 total cpu time spent up to now is 816.1 secs Computing kpt #: 285 total cpu time spent up to now is 818.4 secs Computing kpt #: 286 total cpu time spent up to now is 820.6 secs Computing kpt #: 287 total cpu time spent up to now is 822.7 secs Computing kpt #: 288 total cpu time spent up to now is 824.8 secs Computing kpt #: 289 total cpu time spent up to now is 826.9 secs Computing kpt #: 290 total cpu time spent up to now is 829.0 secs Computing kpt #: 291 total cpu time spent up to now is 831.2 secs Computing kpt #: 292 total cpu time spent up to now is 833.4 secs Computing kpt #: 293 total cpu time spent up to now is 835.5 secs Computing kpt #: 294 total cpu time spent up to now is 837.6 secs Computing kpt #: 295 total cpu time spent up to now is 839.7 secs Computing kpt #: 296 total cpu time spent up to now is 841.8 secs Computing kpt #: 297 total cpu time spent up to now is 844.2 secs Computing kpt #: 298 total cpu time spent up to now is 846.3 secs Computing kpt #: 299 total cpu time spent up to now is 848.4 secs Computing kpt #: 300 total cpu time spent up to now is 850.6 secs Computing kpt #: 301 total cpu time spent up to now is 852.6 secs Computing kpt #: 302 total cpu time spent up to now is 854.8 secs Computing kpt #: 303 total cpu time spent up to now is 857.2 secs ethr = 2.50E-11, avg # of iterations = 36.3 total cpu time spent up to now is 857.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7809 PWs) bands (ev): -38.6522 -38.6522 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4066 -16.4066 -12.2853 -12.2853 -12.2847 -12.2847 -12.2847 -12.2847 -3.9509 -3.9509 -0.7022 -0.7022 -0.7022 -0.7022 -0.6961 -0.6961 0.8271 0.8271 0.8271 0.8271 4.2916 4.2916 4.3079 4.3079 4.3079 4.3079 4.4231 4.4231 4.4582 4.4582 4.4582 4.4582 10.2114 10.2114 14.7892 14.7892 15.3387 15.3387 15.3413 15.3413 k = 0.0000 0.0128-0.0000 ( 7809 PWs) bands (ev): -38.6521 -38.6521 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4065 -16.4065 -12.2857 -12.2857 -12.2850 -12.2850 -12.2848 -12.2848 -3.9499 -3.9499 -0.7028 -0.7028 -0.7024 -0.7024 -0.6964 -0.6964 0.8279 0.8279 0.8285 0.8285 4.2902 4.2902 4.3064 4.3064 4.3068 4.3068 4.4239 4.4239 4.4578 4.4578 4.4598 4.4598 10.2131 10.2131 14.7861 14.7861 15.3396 15.3396 15.3416 15.3416 k = 0.0000 0.0256-0.0000 ( 7809 PWs) bands (ev): -38.6520 -38.6520 -38.5481 -38.5481 -38.5480 -38.5480 -38.5480 -38.5480 -16.4059 -16.4059 -12.2875 -12.2875 -12.2852 -12.2852 -12.2848 -12.2848 -3.9472 -3.9472 -0.7046 -0.7046 -0.7028 -0.7028 -0.6973 -0.6973 0.8303 0.8303 0.8327 0.8327 4.2862 4.2862 4.3019 4.3019 4.3034 4.3034 4.4253 4.4253 4.4574 4.4574 4.4646 4.4646 10.2183 10.2183 14.7772 14.7772 15.3409 15.3409 15.3427 15.3427 k = 0.0000 0.0385-0.0000 ( 7821 PWs) bands (ev): -38.6519 -38.6519 -38.5483 -38.5483 -38.5480 -38.5480 -38.5480 -38.5480 -16.4050 -16.4050 -12.2906 -12.2906 -12.2854 -12.2854 -12.2850 -12.2850 -3.9427 -3.9427 -0.7080 -0.7080 -0.7035 -0.7035 -0.6984 -0.6984 0.8342 0.8342 0.8398 0.8398 4.2799 4.2799 4.2946 4.2946 4.2981 4.2981 4.4242 4.4242 4.4595 4.4595 4.4721 4.4721 10.2270 10.2270 14.7630 14.7630 15.3427 15.3427 15.3444 15.3444 k = 0.0000 0.0513-0.0000 ( 7821 PWs) bands (ev): -38.6517 -38.6517 -38.5485 -38.5485 -38.5480 -38.5480 -38.5480 -38.5480 -16.4038 -16.4038 -12.2950 -12.2950 -12.2856 -12.2856 -12.2852 -12.2852 -3.9363 -3.9363 -0.7129 -0.7129 -0.7046 -0.7046 -0.6998 -0.6998 0.8397 0.8397 0.8496 0.8496 4.2713 4.2713 4.2851 4.2851 4.2914 4.2914 4.4182 4.4182 4.4662 4.4662 4.4819 4.4819 10.2392 10.2392 14.7445 14.7445 15.3451 15.3451 15.3469 15.3469 k = 0.0000 0.0641-0.0000 ( 7821 PWs) bands (ev): -38.6514 -38.6514 -38.5487 -38.5487 -38.5480 -38.5480 -38.5480 -38.5480 -16.4022 -16.4022 -12.3005 -12.3005 -12.2859 -12.2859 -12.2855 -12.2855 -3.9283 -3.9283 -0.7194 -0.7194 -0.7059 -0.7059 -0.7013 -0.7013 0.8468 0.8468 0.8623 0.8623 4.2601 4.2601 4.2741 4.2741 4.2836 4.2836 4.4074 4.4074 4.4767 4.4767 4.4937 4.4937 10.2546 10.2546 14.7224 14.7224 15.3482 15.3482 15.3500 15.3500 k = 0.0000 0.0769-0.0000 ( 7817 PWs) bands (ev): -38.6511 -38.6511 -38.5490 -38.5490 -38.5480 -38.5480 -38.5480 -38.5480 -16.4003 -16.4003 -12.3072 -12.3072 -12.2862 -12.2862 -12.2858 -12.2858 -3.9185 -3.9185 -0.7274 -0.7274 -0.7074 -0.7074 -0.7029 -0.7029 0.8555 0.8555 0.8777 0.8777 4.2456 4.2456 4.2628 4.2628 4.2750 4.2750 4.3928 4.3928 4.4898 4.4898 4.5071 4.5071 10.2734 10.2734 14.6978 14.6978 15.3520 15.3520 15.3537 15.3537 k = 0.0000 0.0897-0.0000 ( 7833 PWs) bands (ev): -38.6507 -38.6507 -38.5494 -38.5494 -38.5480 -38.5480 -38.5480 -38.5480 -16.3980 -16.3980 -12.3150 -12.3150 -12.2866 -12.2866 -12.2862 -12.2862 -3.9071 -3.9071 -0.7368 -0.7368 -0.7092 -0.7092 -0.7048 -0.7048 0.8656 0.8656 0.8959 0.8959 4.2277 4.2277 4.2518 4.2518 4.2658 4.2658 4.3749 4.3749 4.5047 4.5047 4.5219 4.5219 10.2952 10.2952 14.6713 14.6713 15.3564 15.3564 15.3581 15.3581 k = 0.0000 0.1026-0.0000 ( 7829 PWs) bands (ev): -38.6502 -38.6502 -38.5498 -38.5498 -38.5480 -38.5480 -38.5480 -38.5480 -16.3955 -16.3955 -12.3239 -12.3239 -12.2870 -12.2870 -12.2866 -12.2866 -3.8942 -3.8942 -0.7476 -0.7476 -0.7113 -0.7113 -0.7069 -0.7069 0.8773 0.8773 0.9169 0.9169 4.2065 4.2065 4.2409 4.2409 4.2562 4.2562 4.3540 4.3540 4.5210 4.5210 4.5379 4.5379 10.3202 10.3202 14.6434 14.6434 15.3613 15.3613 15.3631 15.3631 k = 0.0000 0.1154-0.0000 ( 7837 PWs) bands (ev): -38.6497 -38.6497 -38.5503 -38.5503 -38.5479 -38.5479 -38.5479 -38.5479 -16.3926 -16.3926 -12.3338 -12.3338 -12.2875 -12.2875 -12.2871 -12.2871 -3.8798 -3.8798 -0.7597 -0.7597 -0.7135 -0.7135 -0.7092 -0.7092 0.8904 0.8904 0.9406 0.9406 4.1824 4.1824 4.2300 4.2300 4.2464 4.2464 4.3303 4.3303 4.5383 4.5383 4.5548 4.5548 10.3480 10.3480 14.6147 14.6147 15.3669 15.3669 15.3687 15.3687 k = 0.0000 0.1282-0.0000 ( 7841 PWs) bands (ev): -38.6492 -38.6492 -38.5509 -38.5509 -38.5479 -38.5479 -38.5479 -38.5479 -16.3895 -16.3895 -12.3446 -12.3446 -12.2880 -12.2880 -12.2876 -12.2876 -3.8639 -3.8639 -0.7729 -0.7729 -0.7160 -0.7160 -0.7117 -0.7117 0.9050 0.9050 0.9670 0.9670 4.1558 4.1558 4.2191 4.2191 4.2364 4.2364 4.3038 4.3038 4.5566 4.5566 4.5727 4.5727 10.3786 10.3786 14.5856 14.5856 15.3730 15.3730 15.3748 15.3748 k = 0.0000 0.1410-0.0000 ( 7821 PWs) bands (ev): -38.6485 -38.6485 -38.5514 -38.5514 -38.5479 -38.5479 -38.5479 -38.5479 -16.3861 -16.3861 -12.3562 -12.3562 -12.2886 -12.2886 -12.2881 -12.2881 -3.8468 -3.8468 -0.7874 -0.7874 -0.7187 -0.7187 -0.7144 -0.7144 0.9210 0.9210 0.9961 0.9961 4.1267 4.1267 4.2080 4.2080 4.2262 4.2262 4.2749 4.2749 4.5757 4.5757 4.5913 4.5913 10.4118 10.4118 14.5564 14.5564 15.3797 15.3797 15.3814 15.3814 k = 0.0000 0.1538-0.0000 ( 7813 PWs) bands (ev): -38.6479 -38.6479 -38.5520 -38.5520 -38.5479 -38.5479 -38.5479 -38.5479 -16.3824 -16.3824 -12.3686 -12.3686 -12.2892 -12.2892 -12.2887 -12.2887 -3.8285 -3.8285 -0.8029 -0.8029 -0.7215 -0.7215 -0.7172 -0.7172 0.9384 0.9384 1.0279 1.0279 4.0953 4.0953 4.1965 4.1965 4.2160 4.2160 4.2438 4.2438 4.5955 4.5955 4.6106 4.6106 10.4474 10.4474 14.5273 14.5273 15.3867 15.3867 15.3885 15.3885 k = 0.0000 0.1667-0.0000 ( 7841 PWs) bands (ev): -38.6472 -38.6472 -38.5527 -38.5527 -38.5479 -38.5479 -38.5479 -38.5479 -16.3785 -16.3785 -12.3817 -12.3817 -12.2898 -12.2898 -12.2894 -12.2894 -3.8091 -3.8091 -0.8193 -0.8193 -0.7245 -0.7245 -0.7202 -0.7202 0.9570 0.9570 1.0622 1.0622 4.0619 4.0619 4.1833 4.1833 4.2056 4.2056 4.2117 4.2117 4.6158 4.6158 4.6304 4.6304 10.4852 10.4852 14.4986 14.4986 15.3943 15.3943 15.3960 15.3960 k = 0.0000 0.1795-0.0000 ( 7829 PWs) bands (ev): -38.6464 -38.6464 -38.5534 -38.5534 -38.5478 -38.5478 -38.5478 -38.5478 -16.3744 -16.3744 -12.3954 -12.3954 -12.2905 -12.2905 -12.2900 -12.2900 -3.7887 -3.7887 -0.8367 -0.8367 -0.7275 -0.7275 -0.7233 -0.7233 0.9770 0.9770 1.0992 1.0992 4.0266 4.0266 4.1619 4.1619 4.1854 4.1854 4.1954 4.1954 4.6366 4.6366 4.6508 4.6508 10.5251 10.5251 14.4705 14.4705 15.4022 15.4022 15.4040 15.4040 k = 0.0000 0.1923-0.0000 ( 7829 PWs) bands (ev): -38.6456 -38.6456 -38.5542 -38.5542 -38.5478 -38.5478 -38.5478 -38.5478 -16.3702 -16.3702 -12.4097 -12.4097 -12.2911 -12.2911 -12.2907 -12.2907 -3.7674 -3.7674 -0.8548 -0.8548 -0.7307 -0.7307 -0.7265 -0.7265 0.9982 0.9982 1.1386 1.1386 3.9895 3.9895 4.1269 4.1269 4.1703 4.1703 4.1851 4.1851 4.6578 4.6578 4.6715 4.6715 10.5667 10.5667 14.4432 14.4432 15.4104 15.4104 15.4122 15.4122 k = 0.0000 0.2051-0.0000 ( 7821 PWs) bands (ev): -38.6448 -38.6448 -38.5550 -38.5550 -38.5478 -38.5478 -38.5478 -38.5478 -16.3658 -16.3658 -12.4243 -12.4243 -12.2919 -12.2919 -12.2914 -12.2914 -3.7455 -3.7455 -0.8737 -0.8737 -0.7340 -0.7340 -0.7297 -0.7297 1.0205 1.0205 1.1806 1.1806 3.9508 3.9508 4.0863 4.0863 4.1586 4.1586 4.1749 4.1749 4.6792 4.6792 4.6926 4.6926 10.6099 10.6099 14.4168 14.4168 15.4190 15.4190 15.4208 15.4208 k = 0.0000 0.2179-0.0000 ( 7829 PWs) bands (ev): -38.6439 -38.6439 -38.5558 -38.5558 -38.5478 -38.5478 -38.5478 -38.5478 -16.3612 -16.3612 -12.4393 -12.4393 -12.2926 -12.2926 -12.2922 -12.2922 -3.7229 -3.7229 -0.8931 -0.8931 -0.7373 -0.7373 -0.7330 -0.7330 1.0439 1.0439 1.2250 1.2250 3.9107 3.9107 4.0426 4.0426 4.1477 4.1477 4.1648 4.1648 4.7009 4.7009 4.7138 4.7138 10.6544 10.6544 14.3916 14.3916 15.4278 15.4278 15.4295 15.4295 k = 0.0000 0.2308-0.0000 ( 7825 PWs) bands (ev): -38.6430 -38.6430 -38.5567 -38.5567 -38.5477 -38.5477 -38.5477 -38.5477 -16.3566 -16.3566 -12.4545 -12.4545 -12.2933 -12.2933 -12.2929 -12.2929 -3.6998 -3.6998 -0.9131 -0.9131 -0.7406 -0.7406 -0.7364 -0.7364 1.0683 1.0683 1.2717 1.2717 3.8695 3.8695 3.9965 3.9965 4.1372 4.1372 4.1548 4.1548 4.7226 4.7226 4.7352 4.7352 10.7000 10.7000 14.3678 14.3678 15.4367 15.4367 15.4385 15.4385 k = 0.0000 0.2436-0.0000 ( 7821 PWs) bands (ev): -38.6421 -38.6421 -38.5575 -38.5575 -38.5477 -38.5477 -38.5477 -38.5477 -16.3519 -16.3519 -12.4698 -12.4698 -12.2941 -12.2941 -12.2937 -12.2937 -3.6765 -3.6765 -0.9333 -0.9333 -0.7440 -0.7440 -0.7397 -0.7397 1.0936 1.0936 1.3208 1.3208 3.8272 3.8272 3.9480 3.9480 4.1270 4.1270 4.1449 4.1449 4.7443 4.7443 4.7565 4.7565 10.7463 10.7463 14.3454 14.3454 15.4458 15.4458 15.4476 15.4476 k = 0.0000 0.2564-0.0000 ( 7821 PWs) bands (ev): -38.6411 -38.6411 -38.5584 -38.5584 -38.5477 -38.5477 -38.5477 -38.5477 -16.3471 -16.3471 -12.4851 -12.4851 -12.2948 -12.2948 -12.2944 -12.2944 -3.6529 -3.6529 -0.9539 -0.9539 -0.7473 -0.7473 -0.7430 -0.7430 1.1197 1.1197 1.3721 1.3721 3.7842 3.7842 3.8974 3.8974 4.1171 4.1171 4.1352 4.1352 4.7658 4.7658 4.7777 4.7777 10.7932 10.7932 14.3246 14.3246 15.4550 15.4550 15.4568 15.4568 k = 0.0000 0.2692-0.0000 ( 7829 PWs) bands (ev): -38.6402 -38.6402 -38.5594 -38.5594 -38.5477 -38.5477 -38.5477 -38.5477 -16.3424 -16.3424 -12.5004 -12.5004 -12.2956 -12.2956 -12.2951 -12.2951 -3.6293 -3.6293 -0.9745 -0.9745 -0.7506 -0.7506 -0.7463 -0.7463 1.1465 1.1465 1.4255 1.4255 3.7407 3.7407 3.8447 3.8447 4.1074 4.1074 4.1257 4.1257 4.7871 4.7871 4.7987 4.7987 10.8403 10.8403 14.3056 14.3056 15.4642 15.4642 15.4659 15.4659 k = 0.0000 0.2821-0.0000 ( 7829 PWs) bands (ev): -38.6392 -38.6392 -38.5603 -38.5603 -38.5476 -38.5476 -38.5476 -38.5476 -16.3376 -16.3376 -12.5155 -12.5155 -12.2963 -12.2963 -12.2959 -12.2959 -3.6058 -3.6058 -0.9952 -0.9952 -0.7538 -0.7538 -0.7496 -0.7496 1.1739 1.1739 1.4810 1.4810 3.6968 3.6968 3.7900 3.7900 4.0980 4.0980 4.1165 4.1165 4.8081 4.8081 4.8194 4.8194 10.8874 10.8874 14.2886 14.2886 15.4733 15.4733 15.4750 15.4750 k = 0.0000 0.2949-0.0000 ( 7817 PWs) bands (ev): -38.6382 -38.6382 -38.5612 -38.5612 -38.5476 -38.5476 -38.5476 -38.5476 -16.3329 -16.3329 -12.5303 -12.5303 -12.2970 -12.2970 -12.2966 -12.2966 -3.5825 -3.5825 -1.0157 -1.0157 -0.7570 -0.7570 -0.7527 -0.7527 1.2016 1.2016 1.5385 1.5385 3.6528 3.6528 3.7333 3.7333 4.0889 4.0889 4.1076 4.1076 4.8286 4.8286 4.8396 4.8396 10.9341 10.9341 14.2737 14.2737 15.4823 15.4823 15.4840 15.4840 k = 0.0000 0.3077-0.0000 ( 7820 PWs) bands (ev): -38.6372 -38.6372 -38.5622 -38.5622 -38.5476 -38.5476 -38.5476 -38.5476 -16.3283 -16.3283 -12.5448 -12.5448 -12.2977 -12.2977 -12.2973 -12.2973 -3.5597 -3.5597 -1.0359 -1.0359 -0.7601 -0.7601 -0.7558 -0.7558 1.2297 1.2297 1.5979 1.5979 3.6091 3.6091 3.6749 3.6749 4.0802 4.0802 4.0990 4.0990 4.8485 4.8485 4.8593 4.8593 10.9801 10.9801 14.2609 14.2609 15.4912 15.4912 15.4922 15.4922 k = 0.0000 0.3205-0.0000 ( 7804 PWs) bands (ev): -38.6362 -38.6362 -38.5631 -38.5631 -38.5476 -38.5476 -38.5476 -38.5476 -16.3238 -16.3238 -12.5588 -12.5588 -12.2984 -12.2984 -12.2980 -12.2980 -3.5373 -3.5373 -1.0558 -1.0558 -0.7630 -0.7630 -0.7587 -0.7587 1.2578 1.2578 1.6591 1.6591 3.5657 3.5657 3.6147 3.6147 4.0719 4.0719 4.0907 4.0907 4.8678 4.8678 4.8783 4.8783 11.0251 11.0251 14.2505 14.2505 15.4657 15.4657 15.4998 15.4998 k = 0.0000 0.3333-0.0000 ( 7796 PWs) bands (ev): -38.6352 -38.6352 -38.5641 -38.5641 -38.5475 -38.5475 -38.5475 -38.5475 -16.3195 -16.3195 -12.5723 -12.5723 -12.2991 -12.2991 -12.2987 -12.2987 -3.5157 -3.5157 -1.0751 -1.0751 -0.7658 -0.7658 -0.7615 -0.7615 1.2858 1.2858 1.7220 1.7220 3.5231 3.5231 3.5530 3.5530 4.0639 4.0639 4.0829 4.0829 4.8862 4.8862 4.8965 4.8965 11.0688 11.0688 14.2424 14.2424 15.4250 15.4250 15.5082 15.5082 k = 0.0000 0.3462-0.0000 ( 7804 PWs) bands (ev): -38.6343 -38.6343 -38.5650 -38.5650 -38.5475 -38.5475 -38.5475 -38.5475 -16.3153 -16.3153 -12.5851 -12.5851 -12.2997 -12.2997 -12.2993 -12.2993 -3.4950 -3.4950 -1.0937 -1.0937 -0.7685 -0.7685 -0.7642 -0.7642 1.3135 1.3135 1.7865 1.7865 3.4812 3.4812 3.4899 3.4899 4.0564 4.0564 4.0755 4.0755 4.9038 4.9038 4.9139 4.9139 11.1108 11.1108 14.2367 14.2367 15.3827 15.3827 15.5162 15.5162 k = 0.0000 0.3590-0.0000 ( 7800 PWs) bands (ev): -38.6333 -38.6333 -38.5659 -38.5659 -38.5475 -38.5475 -38.5475 -38.5475 -16.3114 -16.3114 -12.5973 -12.5973 -12.3003 -12.3003 -12.2999 -12.2999 -3.4752 -3.4752 -1.1114 -1.1114 -0.7710 -0.7710 -0.7667 -0.7667 1.3407 1.3407 1.8524 1.8524 3.4243 3.4243 3.4419 3.4419 4.0494 4.0494 4.0685 4.0685 4.9204 4.9204 4.9302 4.9302 11.1509 11.1509 14.2335 14.2335 15.3392 15.3392 15.5238 15.5238 k = 0.0000 0.3718-0.0000 ( 7804 PWs) bands (ev): -38.6325 -38.6325 -38.5667 -38.5667 -38.5475 -38.5475 -38.5475 -38.5475 -16.3076 -16.3076 -12.6086 -12.6086 -12.3009 -12.3009 -12.3005 -12.3005 -3.4565 -3.4565 -1.1282 -1.1282 -0.7734 -0.7734 -0.7691 -0.7691 1.3670 1.3670 1.9197 1.9197 3.3583 3.3583 3.4033 3.4033 4.0429 4.0429 4.0620 4.0620 4.9359 4.9359 4.9455 4.9455 11.1888 11.1888 14.2326 14.2326 15.2953 15.2953 15.5310 15.5310 k = 0.0000 0.3846-0.0000 ( 7812 PWs) bands (ev): -38.6316 -38.6316 -38.5675 -38.5675 -38.5475 -38.5475 -38.5475 -38.5475 -16.3042 -16.3042 -12.6191 -12.6191 -12.3014 -12.3014 -12.3010 -12.3010 -3.4391 -3.4391 -1.1439 -1.1439 -0.7755 -0.7755 -0.7712 -0.7712 1.3922 1.3922 1.9882 1.9882 3.2908 3.2908 3.3668 3.3668 4.0369 4.0369 4.0561 4.0561 4.9502 4.9502 4.9597 4.9597 11.2240 11.2240 14.2339 14.2339 15.2515 15.2515 15.5376 15.5376 k = 0.0000 0.3974-0.0000 ( 7808 PWs) bands (ev): -38.6308 -38.6308 -38.5683 -38.5683 -38.5475 -38.5475 -38.5475 -38.5475 -16.3010 -16.3010 -12.6287 -12.6287 -12.3019 -12.3019 -12.3015 -12.3015 -3.4232 -3.4232 -1.1584 -1.1584 -0.7775 -0.7775 -0.7732 -0.7732 1.4160 1.4160 2.0578 2.0578 3.2223 3.2223 3.3328 3.3328 4.0314 4.0314 4.0507 4.0507 4.9632 4.9632 4.9726 4.9726 11.2565 11.2565 14.2373 14.2373 15.2087 15.2087 15.5437 15.5437 k = 0.0000 0.4103-0.0000 ( 7816 PWs) bands (ev): -38.6301 -38.6301 -38.5690 -38.5690 -38.5474 -38.5474 -38.5474 -38.5474 -16.2981 -16.2981 -12.6373 -12.6373 -12.3023 -12.3023 -12.3019 -12.3019 -3.4087 -3.4087 -1.1715 -1.1715 -0.7792 -0.7792 -0.7749 -0.7749 1.4380 1.4380 2.1283 2.1283 3.1527 3.1527 3.3016 3.3016 4.0266 4.0266 4.0458 4.0458 4.9749 4.9749 4.9842 4.9842 11.2858 11.2858 14.2423 14.2423 15.1676 15.1676 15.5492 15.5492 k = 0.0000 0.4231-0.0000 ( 7808 PWs) bands (ev): -38.6294 -38.6294 -38.5696 -38.5696 -38.5474 -38.5474 -38.5474 -38.5474 -16.2956 -16.2956 -12.6449 -12.6449 -12.3027 -12.3027 -12.3023 -12.3023 -3.3960 -3.3960 -1.1831 -1.1831 -0.7807 -0.7807 -0.7764 -0.7764 1.4580 1.4580 2.1996 2.1996 3.0822 3.0822 3.2736 3.2736 4.0223 4.0223 4.0416 4.0416 4.9852 4.9852 4.9944 4.9944 11.3117 11.3117 14.2487 14.2487 15.1290 15.1290 15.5541 15.5541 k = 0.0000 0.4359-0.0000 ( 7808 PWs) bands (ev): -38.6289 -38.6289 -38.5702 -38.5702 -38.5474 -38.5474 -38.5474 -38.5474 -16.2934 -16.2934 -12.6514 -12.6514 -12.3030 -12.3030 -12.3026 -12.3026 -3.3849 -3.3849 -1.1932 -1.1932 -0.7821 -0.7821 -0.7777 -0.7777 1.4757 1.4757 2.2715 2.2715 3.0110 3.0110 3.2491 3.2491 4.0187 4.0187 4.0380 4.0380 4.9940 4.9940 5.0031 5.0031 11.3341 11.3341 14.2559 14.2559 15.0938 15.0938 15.5582 15.5582 k = 0.0000 0.4487-0.0000 ( 7808 PWs) bands (ev): -38.6284 -38.6284 -38.5706 -38.5706 -38.5474 -38.5474 -38.5474 -38.5474 -16.2917 -16.2917 -12.6568 -12.6568 -12.3033 -12.3033 -12.3028 -12.3028 -3.3758 -3.3758 -1.2015 -1.2015 -0.7831 -0.7831 -0.7788 -0.7788 1.4906 1.4906 2.3439 2.3439 2.9393 2.9393 3.2285 3.2285 4.0157 4.0157 4.0350 4.0350 5.0013 5.0013 5.0103 5.0103 11.3526 11.3526 14.2632 14.2632 15.0632 15.0632 15.5617 15.5617 k = 0.0000 0.4615-0.0000 ( 7820 PWs) bands (ev): -38.6280 -38.6280 -38.5710 -38.5710 -38.5474 -38.5474 -38.5474 -38.5474 -16.2902 -16.2902 -12.6610 -12.6610 -12.3035 -12.3035 -12.3031 -12.3031 -3.3686 -3.3686 -1.2081 -1.2081 -0.7840 -0.7840 -0.7797 -0.7797 1.5026 1.5026 2.4162 2.4162 2.8674 2.8674 3.2121 3.2121 4.0133 4.0133 4.0327 4.0327 5.0070 5.0070 5.0159 5.0159 11.3672 11.3672 14.2699 14.2699 15.0379 15.0379 15.5644 15.5644 k = 0.0000 0.4744-0.0000 ( 7812 PWs) bands (ev): -38.6277 -38.6277 -38.5713 -38.5713 -38.5474 -38.5474 -38.5474 -38.5474 -16.2892 -16.2892 -12.6640 -12.6640 -12.3036 -12.3036 -12.3032 -12.3032 -3.3634 -3.3634 -1.2128 -1.2128 -0.7846 -0.7846 -0.7803 -0.7803 1.5114 1.5114 2.4879 2.4879 2.7961 2.7961 3.2001 3.2001 4.0116 4.0116 4.0310 4.0310 5.0111 5.0111 5.0200 5.0200 11.3777 11.3777 14.2754 14.2754 15.0190 15.0190 15.5664 15.5664 k = 0.0000 0.4872-0.0000 ( 7828 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2886 -16.2886 -12.6658 -12.6658 -12.3037 -12.3037 -12.3033 -12.3033 -3.3603 -3.3603 -1.2157 -1.2157 -0.7850 -0.7850 -0.7806 -0.7806 1.5167 1.5167 2.5563 2.5563 2.7279 2.7279 3.1929 3.1929 4.0106 4.0106 4.0300 4.0300 5.0136 5.0136 5.0225 5.0225 11.3841 11.3841 14.2790 14.2790 15.0074 15.0074 15.5675 15.5675 k = 0.0000 0.5000-0.0000 ( 7856 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2884 -16.2884 -12.6664 -12.6664 -12.3038 -12.3038 -12.3033 -12.3033 -3.3592 -3.3592 -1.2167 -1.2167 -0.7851 -0.7851 -0.7808 -0.7808 1.5185 1.5185 2.5987 2.5987 2.6856 2.6856 3.1905 3.1905 4.0103 4.0103 4.0296 4.0296 5.0144 5.0144 5.0233 5.0233 11.3862 11.3862 14.2803 14.2803 15.0034 15.0034 15.5679 15.5679 k = 0.0000 0.5000-0.0000 ( 7856 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2884 -16.2884 -12.6664 -12.6664 -12.3038 -12.3038 -12.3033 -12.3033 -3.3592 -3.3592 -1.2167 -1.2167 -0.7851 -0.7851 -0.7808 -0.7808 1.5185 1.5185 2.5987 2.5987 2.6856 2.6856 3.1905 3.1905 4.0103 4.0103 4.0296 4.0296 5.0144 5.0144 5.0233 5.0233 11.3862 11.3862 14.2803 14.2803 15.0034 15.0034 15.5679 15.5679 k = 0.0128 0.5000-0.0000 ( 7818 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2882 -16.2882 -12.6664 -12.6664 -12.3042 -12.3042 -12.3035 -12.3035 -3.3586 -3.3586 -1.2170 -1.2167 -0.7855 -0.7854 -0.7813 -0.7810 1.5195 1.5196 2.5988 2.5988 2.6854 2.6855 3.1917 3.1917 4.0102 4.0104 4.0296 4.0298 5.0143 5.0143 5.0231 5.0234 11.3852 11.3855 14.2809 14.2811 15.0028 15.0028 15.5614 15.5629 k = 0.0256 0.5000-0.0000 ( 7810 PWs) bands (ev): -38.6274 -38.6274 -38.5715 -38.5715 -38.5475 -38.5475 -38.5474 -38.5474 -16.2877 -16.2877 -12.6663 -12.6663 -12.3058 -12.3058 -12.3039 -12.3039 -3.3567 -3.3566 -1.2177 -1.2171 -0.7869 -0.7866 -0.7826 -0.7820 1.5227 1.5228 2.5992 2.5992 2.6849 2.6851 3.1954 3.1955 4.0102 4.0107 4.0295 4.0301 5.0134 5.0135 5.0235 5.0241 11.3825 11.3831 14.2829 14.2834 15.0009 15.0010 15.5425 15.5455 k = 0.0385 0.5000-0.0000 ( 7810 PWs) bands (ev): -38.6273 -38.6273 -38.5714 -38.5714 -38.5476 -38.5476 -38.5475 -38.5475 -16.2869 -16.2869 -12.6661 -12.6661 -12.3085 -12.3085 -12.3044 -12.3044 -3.3535 -3.3534 -1.2188 -1.2178 -0.7894 -0.7888 -0.7844 -0.7837 1.5281 1.5282 2.5999 2.5999 2.6840 2.6843 3.2016 3.2018 4.0102 4.0109 4.0296 4.0304 5.0107 5.0109 5.0254 5.0263 11.3781 11.3791 14.2864 14.2872 14.9977 14.9978 15.5152 15.5193 k = 0.0513 0.5000-0.0000 ( 7808 PWs) bands (ev): -38.6271 -38.6271 -38.5713 -38.5713 -38.5477 -38.5477 -38.5475 -38.5475 -16.2857 -16.2857 -12.6659 -12.6659 -12.3123 -12.3123 -12.3050 -12.3050 -3.3490 -3.3489 -1.2203 -1.2190 -0.7930 -0.7919 -0.7866 -0.7858 1.5355 1.5357 2.6007 2.6007 2.6829 2.6832 3.2103 3.2107 4.0102 4.0111 4.0298 4.0308 5.0061 5.0064 5.0290 5.0301 11.3719 11.3732 14.2913 14.2924 14.9929 14.9931 15.4831 15.4880 k = 0.0641 0.5000-0.0000 ( 7804 PWs) bands (ev): -38.6270 -38.6270 -38.5712 -38.5712 -38.5479 -38.5479 -38.5476 -38.5476 -16.2842 -16.2842 -12.6656 -12.6656 -12.3172 -12.3172 -12.3059 -12.3059 -3.3434 -3.3433 -1.2221 -1.2205 -0.7977 -0.7962 -0.7892 -0.7884 1.5451 1.5453 2.6016 2.6016 2.6815 2.6818 3.2215 3.2220 4.0102 4.0113 4.0300 4.0313 4.9999 5.0003 5.0342 5.0355 11.3640 11.3656 14.2976 14.2990 14.9861 14.9865 15.4496 15.4550 k = 0.0769 0.5000-0.0000 ( 7804 PWs) bands (ev): -38.6267 -38.6267 -38.5711 -38.5711 -38.5481 -38.5481 -38.5477 -38.5477 -16.2823 -16.2823 -12.6652 -12.6652 -12.3230 -12.3230 -12.3069 -12.3069 -3.3365 -3.3364 -1.2244 -1.2225 -0.8034 -0.8013 -0.7921 -0.7914 1.5568 1.5570 2.6024 2.6025 2.6798 2.6802 3.2352 3.2359 4.0100 4.0112 4.0304 4.0319 4.9922 4.9927 5.0408 5.0423 11.3542 11.3561 14.3054 14.3070 14.9771 14.9777 15.4174 15.4229 k = 0.0897 0.5000-0.0000 ( 7808 PWs) bands (ev): -38.6265 -38.6265 -38.5710 -38.5710 -38.5483 -38.5483 -38.5478 -38.5478 -16.2802 -16.2802 -12.6648 -12.6648 -12.3299 -12.3299 -12.3081 -12.3080 -3.3286 -3.3285 -1.2271 -1.2249 -0.8098 -0.8073 -0.7955 -0.7948 1.5705 1.5707 2.6031 2.6034 2.6779 2.6784 3.2512 3.2522 4.0096 4.0109 4.0309 4.0326 4.9830 4.9836 5.0487 5.0504 11.3426 11.3448 14.3145 14.3164 14.9657 14.9666 15.3881 15.3937 k = 0.1026 0.5000-0.0000 ( 7800 PWs) bands (ev): -38.6262 -38.6262 -38.5709 -38.5709 -38.5486 -38.5486 -38.5479 -38.5479 -16.2778 -16.2778 -12.6643 -12.6643 -12.3377 -12.3377 -12.3094 -12.3094 -3.3196 -3.3194 -1.2302 -1.2278 -0.8168 -0.8140 -0.7993 -0.7985 1.5862 1.5864 2.6037 2.6040 2.6759 2.6764 3.2696 3.2708 4.0090 4.0104 4.0314 4.0334 4.9726 4.9733 5.0580 5.0599 11.3291 11.3315 14.3250 14.3271 14.9518 14.9531 15.3632 15.3686 k = 0.1154 0.5000-0.0000 ( 7810 PWs) bands (ev): -38.6258 -38.6258 -38.5707 -38.5707 -38.5489 -38.5489 -38.5480 -38.5480 -16.2750 -16.2750 -12.6637 -12.6637 -12.3463 -12.3463 -12.3109 -12.3109 -3.3095 -3.3094 -1.2339 -1.2312 -0.8244 -0.8213 -0.8034 -0.8027 1.6039 1.6041 2.6039 2.6044 2.6738 2.6743 3.2901 3.2917 4.0083 4.0097 4.0319 4.0341 4.9609 4.9617 5.0686 5.0706 11.3136 11.3163 14.3369 14.3393 14.9356 14.9373 15.3434 15.3484 k = 0.1282 0.5000-0.0000 ( 7814 PWs) bands (ev): -38.6255 -38.6255 -38.5705 -38.5705 -38.5492 -38.5492 -38.5482 -38.5482 -16.2720 -16.2720 -12.6631 -12.6631 -12.3558 -12.3558 -12.3126 -12.3125 -3.2986 -3.2985 -1.2380 -1.2350 -0.8324 -0.8290 -0.8080 -0.8072 1.6234 1.6237 2.6038 2.6045 2.6716 2.6721 3.3125 3.3145 4.0076 4.0089 4.0323 4.0348 4.9480 4.9490 5.0805 5.0826 11.2962 11.2991 14.3501 14.3527 14.9176 14.9198 15.3286 15.3333 k = 0.1410 0.5000-0.0000 ( 7810 PWs) bands (ev): -38.6250 -38.6250 -38.5703 -38.5703 -38.5496 -38.5496 -38.5484 -38.5484 -16.2688 -16.2688 -12.6625 -12.6624 -12.3660 -12.3660 -12.3144 -12.3143 -3.2868 -3.2867 -1.2426 -1.2394 -0.8406 -0.8369 -0.8129 -0.8121 1.6449 1.6452 2.6034 2.6043 2.6693 2.6699 3.3365 3.3390 4.0070 4.0081 4.0326 4.0353 4.9340 4.9352 5.0936 5.0958 11.2767 11.2798 14.3647 14.3676 14.8985 14.9011 15.3188 15.3232 k = 0.1538 0.5000-0.0000 ( 7802 PWs) bands (ev): -38.6246 -38.6246 -38.5701 -38.5701 -38.5500 -38.5500 -38.5485 -38.5485 -16.2653 -16.2653 -12.6617 -12.6617 -12.3769 -12.3769 -12.3163 -12.3162 -3.2743 -3.2741 -1.2477 -1.2444 -0.8490 -0.8450 -0.8181 -0.8173 1.6681 1.6684 2.6026 2.6037 2.6671 2.6677 3.3618 3.3647 4.0066 4.0076 4.0326 4.0356 4.9191 4.9203 5.1079 5.1103 11.2553 11.2586 14.3806 14.3837 14.8792 14.8822 15.3135 15.3174 k = 0.1667 0.5000-0.0000 ( 7806 PWs) bands (ev): -38.6241 -38.6241 -38.5698 -38.5698 -38.5505 -38.5505 -38.5487 -38.5487 -16.2616 -16.2616 -12.6610 -12.6609 -12.3884 -12.3884 -12.3183 -12.3183 -3.2611 -3.2609 -1.2533 -1.2499 -0.8573 -0.8532 -0.8236 -0.8227 1.6930 1.6933 2.6015 2.6029 2.6649 2.6655 3.3879 3.3913 4.0069 4.0075 4.0323 4.0357 4.9031 4.9045 5.1234 5.1258 11.2318 11.2353 14.3979 14.4011 14.8606 14.8639 15.3120 15.3156 k = 0.1795 0.5000-0.0000 ( 7802 PWs) bands (ev): -38.6236 -38.6236 -38.5696 -38.5696 -38.5509 -38.5509 -38.5489 -38.5489 -16.2577 -16.2577 -12.6601 -12.6601 -12.4005 -12.4005 -12.3205 -12.3204 -3.2472 -3.2470 -1.2595 -1.2559 -0.8655 -0.8612 -0.8293 -0.8285 1.7196 1.7198 2.6002 2.6017 2.6628 2.6634 3.4142 3.4182 4.0080 4.0082 4.0317 4.0353 4.8863 4.8879 5.1399 5.1423 11.2065 11.2100 14.4164 14.4199 14.8434 14.8470 15.3138 15.3171 k = 0.1923 0.5000-0.0000 ( 7796 PWs) bands (ev): -38.6231 -38.6231 -38.5693 -38.5693 -38.5514 -38.5514 -38.5491 -38.5491 -16.2537 -16.2537 -12.6593 -12.6592 -12.4130 -12.4130 -12.3227 -12.3227 -3.2330 -3.2327 -1.2662 -1.2625 -0.8734 -0.8691 -0.8352 -0.8344 1.7477 1.7479 2.5986 2.6003 2.6608 2.6613 3.4402 3.4448 4.0101 4.0103 4.0308 4.0348 4.8687 4.8704 5.1574 5.1598 11.1792 11.1829 14.4363 14.4399 14.8282 14.8319 15.3183 15.3214 k = 0.2051 0.5000-0.0000 ( 7802 PWs) bands (ev): -38.6226 -38.6226 -38.5690 -38.5690 -38.5519 -38.5519 -38.5494 -38.5494 -16.2495 -16.2495 -12.6583 -12.6583 -12.4259 -12.4259 -12.3251 -12.3250 -3.2183 -3.2181 -1.2733 -1.2696 -0.8810 -0.8766 -0.8414 -0.8405 1.7772 1.7774 2.5968 2.5987 2.6589 2.6594 3.4651 3.4703 4.0130 4.0138 4.0301 4.0344 4.8504 4.8523 5.1756 5.1781 11.1502 11.1539 14.4575 14.4613 14.8155 14.8194 15.3252 15.3280 k = 0.2179 0.5000-0.0000 ( 7804 PWs) bands (ev): -38.6220 -38.6220 -38.5687 -38.5687 -38.5524 -38.5524 -38.5496 -38.5496 -16.2452 -16.2452 -12.6574 -12.6573 -12.4391 -12.4391 -12.3275 -12.3274 -3.2033 -3.2031 -1.2810 -1.2773 -0.8883 -0.8838 -0.8476 -0.8468 1.8081 1.8083 2.5948 2.5970 2.6571 2.6576 3.4882 3.4940 4.0164 4.0171 4.0314 4.0354 4.8315 4.8335 5.1947 5.1971 11.1196 11.1233 14.4801 14.4840 14.8058 14.8097 15.3341 15.3367 k = 0.2308 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6214 -38.6214 -38.5684 -38.5684 -38.5529 -38.5529 -38.5499 -38.5499 -16.2407 -16.2407 -12.6564 -12.6564 -12.4525 -12.4525 -12.3299 -12.3299 -3.1882 -3.1879 -1.2890 -1.2853 -0.8950 -0.8906 -0.8540 -0.8531 1.8402 1.8403 2.5928 2.5952 2.6555 2.6559 3.5089 3.5152 4.0172 4.0180 4.0382 4.0404 4.8121 4.8142 5.2143 5.2167 11.0875 11.0912 14.5040 14.5081 14.7992 14.8031 15.3445 15.3470 k = 0.2436 0.5000-0.0000 ( 7796 PWs) bands (ev): -38.6208 -38.6208 -38.5681 -38.5681 -38.5535 -38.5535 -38.5502 -38.5502 -16.2363 -16.2363 -12.6554 -12.6553 -12.4660 -12.4660 -12.3324 -12.3324 -3.1729 -3.1727 -1.2974 -1.2938 -0.9012 -0.8969 -0.8603 -0.8595 1.8734 1.8735 2.5908 2.5933 2.6540 2.6544 3.5265 3.5333 4.0145 4.0166 4.0504 4.0512 4.7922 4.7944 5.2343 5.2367 11.0541 11.0578 14.5294 14.5335 14.7960 14.7998 15.3564 15.3588 k = 0.2564 0.5000-0.0000 ( 7794 PWs) bands (ev): -38.6202 -38.6202 -38.5677 -38.5677 -38.5541 -38.5541 -38.5504 -38.5504 -16.2317 -16.2317 -12.6544 -12.6543 -12.4795 -12.4795 -12.3350 -12.3349 -3.1577 -3.1575 -1.3061 -1.3026 -0.9070 -0.9028 -0.8668 -0.8659 1.9076 1.9076 2.5888 2.5914 2.6526 2.6529 3.5407 3.5478 4.0104 4.0132 4.0669 4.0670 4.7720 4.7743 5.2546 5.2570 11.0196 11.0233 14.5561 14.5603 14.7961 14.7999 15.3694 15.3717 k = 0.2692 0.5000-0.0000 ( 7778 PWs) bands (ev): -38.6195 -38.6195 -38.5674 -38.5674 -38.5546 -38.5546 -38.5507 -38.5507 -16.2272 -16.2272 -12.6533 -12.6533 -12.4930 -12.4930 -12.3375 -12.3374 -3.1426 -3.1423 -1.3150 -1.3116 -0.9122 -0.9081 -0.8731 -0.8723 1.9425 1.9425 2.5869 2.5897 2.6513 2.6516 3.5512 3.5586 4.0053 4.0085 4.0868 4.0874 4.7515 4.7540 5.2750 5.2774 10.9843 10.9879 14.5842 14.5886 14.7997 14.8033 15.3834 15.3856 k = 0.2821 0.5000-0.0000 ( 7778 PWs) bands (ev): -38.6189 -38.6189 -38.5670 -38.5670 -38.5552 -38.5552 -38.5510 -38.5510 -16.2227 -16.2227 -12.6523 -12.6522 -12.5064 -12.5064 -12.3400 -12.3400 -3.1277 -3.1274 -1.3240 -1.3207 -0.9168 -0.9129 -0.8794 -0.8786 1.9780 1.9781 2.5851 2.5879 2.6500 2.6502 3.5582 3.5656 3.9995 4.0030 4.1104 4.1113 4.7309 4.7335 5.2954 5.2977 10.9485 10.9520 14.6139 14.6183 14.8067 14.8101 15.3981 15.4002 k = 0.2949 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6183 -38.6183 -38.5667 -38.5667 -38.5558 -38.5558 -38.5513 -38.5513 -16.2183 -16.2183 -12.6512 -12.6512 -12.5195 -12.5195 -12.3425 -12.3425 -3.1131 -3.1128 -1.3331 -1.3300 -0.9210 -0.9173 -0.8856 -0.8848 2.0140 2.0142 2.5835 2.5864 2.6487 2.6489 3.5619 3.5692 3.9931 3.9968 4.1370 4.1381 4.7102 4.7129 5.3157 5.3179 10.9123 10.9157 14.6450 14.6494 14.8171 14.8202 15.4133 15.4154 k = 0.3077 0.5000-0.0000 ( 7780 PWs) bands (ev): -38.6176 -38.6176 -38.5663 -38.5663 -38.5564 -38.5564 -38.5517 -38.5517 -16.2139 -16.2139 -12.6502 -12.6501 -12.5323 -12.5323 -12.3450 -12.3449 -3.0989 -3.0986 -1.3422 -1.3392 -0.9247 -0.9212 -0.8917 -0.8909 2.0503 2.0506 2.5820 2.5849 2.6474 2.6474 3.5626 3.5698 3.9862 3.9900 4.1661 4.1672 4.6897 4.6924 5.3356 5.3377 10.8762 10.8795 14.6776 14.6821 14.8306 14.8336 15.4206 15.4221 k = 0.3205 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6170 -38.6170 -38.5659 -38.5659 -38.5570 -38.5570 -38.5520 -38.5520 -16.2096 -16.2096 -12.6491 -12.6491 -12.5448 -12.5448 -12.3474 -12.3474 -3.0851 -3.0849 -1.3511 -1.3483 -0.9279 -0.9246 -0.8976 -0.8967 2.0868 2.0871 2.5808 2.5837 2.6459 2.6459 3.5610 3.5680 3.9788 3.9827 4.1968 4.1979 4.6693 4.6721 5.3550 5.3570 10.8404 10.8435 14.7117 14.7162 14.8473 14.8499 15.4163 15.4178 k = 0.3333 0.5000-0.0000 ( 7808 PWs) bands (ev): -38.6164 -38.6164 -38.5656 -38.5656 -38.5576 -38.5575 -38.5523 -38.5523 -16.2055 -16.2055 -12.6481 -12.6481 -12.5567 -12.5567 -12.3498 -12.3497 -3.0719 -3.0717 -1.3598 -1.3572 -0.9307 -0.9276 -0.9032 -0.9024 2.1231 2.1235 2.5797 2.5825 2.6440 2.6442 3.5575 3.5641 3.9712 3.9751 4.2285 4.2295 4.6493 4.6521 5.3737 5.3757 10.8052 10.8082 14.7474 14.7519 14.8668 14.8692 15.4126 15.4142 k = 0.3462 0.5000-0.0000 ( 7796 PWs) bands (ev): -38.6158 -38.6158 -38.5652 -38.5652 -38.5581 -38.5581 -38.5527 -38.5527 -16.2015 -16.2015 -12.6471 -12.6471 -12.5681 -12.5681 -12.3520 -12.3520 -3.0594 -3.0592 -1.3682 -1.3658 -0.9331 -0.9303 -0.9086 -0.9078 2.1592 2.1597 2.5788 2.5816 2.6419 2.6421 3.5525 3.5588 3.9634 3.9673 4.2605 4.2614 4.6298 4.6325 5.3917 5.3935 10.7710 10.7738 14.7845 14.7890 14.8891 14.8912 15.4095 15.4111 k = 0.3590 0.5000-0.0000 ( 7792 PWs) bands (ev): -38.6152 -38.6152 -38.5648 -38.5648 -38.5586 -38.5586 -38.5530 -38.5530 -16.1978 -16.1978 -12.6462 -12.6461 -12.5789 -12.5789 -12.3542 -12.3541 -3.0476 -3.0474 -1.3762 -1.3740 -0.9351 -0.9326 -0.9136 -0.9129 2.1947 2.1953 2.5781 2.5808 2.6393 2.6397 3.5466 3.5525 3.9555 3.9593 4.2922 4.2930 4.6109 4.6136 5.4088 5.4105 10.7381 10.7407 14.8230 14.8275 14.9139 14.9157 15.4070 15.4087 k = 0.3718 0.5000-0.0000 ( 7792 PWs) bands (ev): -38.6147 -38.6147 -38.5644 -38.5644 -38.5591 -38.5591 -38.5533 -38.5533 -16.1943 -16.1943 -12.6453 -12.6452 -12.5890 -12.5890 -12.3562 -12.3561 -3.0366 -3.0364 -1.3837 -1.3818 -0.9369 -0.9346 -0.9184 -0.9176 2.2295 2.2302 2.5775 2.5802 2.6362 2.6367 3.5401 3.5455 3.9477 3.9514 4.3230 4.3237 4.5928 4.5955 5.4248 5.4264 10.7068 10.7091 14.8628 14.8672 14.9410 14.9424 15.4051 15.4068 k = 0.3846 0.5000-0.0000 ( 7790 PWs) bands (ev): -38.6142 -38.6142 -38.5640 -38.5640 -38.5596 -38.5596 -38.5537 -38.5537 -16.1910 -16.1910 -12.6444 -12.6444 -12.5983 -12.5983 -12.3581 -12.3580 -3.0264 -3.0262 -1.3908 -1.3890 -0.9383 -0.9364 -0.9228 -0.9220 2.2633 2.2641 2.5771 2.5797 2.6325 2.6331 3.5333 3.5382 3.9402 3.9437 4.3524 4.3529 4.5757 4.5783 5.4397 5.4411 10.6774 10.6795 14.9037 14.9081 14.9700 14.9710 15.4039 15.4056 k = 0.3974 0.5000-0.0000 ( 7790 PWs) bands (ev): -38.6137 -38.6137 -38.5637 -38.5637 -38.5601 -38.5601 -38.5540 -38.5540 -16.1880 -16.1880 -12.6436 -12.6436 -12.6069 -12.6069 -12.3598 -12.3597 -3.0171 -3.0170 -1.3973 -1.3957 -0.9395 -0.9379 -0.9268 -0.9260 2.2959 2.2967 2.5768 2.5793 2.6280 2.6287 3.5265 3.5309 3.9330 3.9363 4.3799 4.3803 4.5598 4.5622 5.4533 5.4546 10.6502 10.6521 14.9455 14.9498 15.0006 15.0013 15.4033 15.4051 k = 0.4103 0.5000-0.0000 ( 7782 PWs) bands (ev): -38.6133 -38.6133 -38.5633 -38.5633 -38.5605 -38.5605 -38.5543 -38.5543 -16.1853 -16.1853 -12.6429 -12.6429 -12.6145 -12.6145 -12.3613 -12.3613 -3.0088 -3.0087 -1.4031 -1.4017 -0.9406 -0.9392 -0.9303 -0.9296 2.3271 2.3279 2.5766 2.5789 2.6228 2.6236 3.5200 3.5239 3.9264 3.9294 4.4051 4.4054 4.5452 4.5474 5.4655 5.4667 10.6255 10.6272 14.9878 14.9919 15.0323 15.0327 15.4036 15.4054 k = 0.4231 0.5000-0.0000 ( 7792 PWs) bands (ev): -38.6129 -38.6129 -38.5630 -38.5630 -38.5608 -38.5608 -38.5546 -38.5546 -16.1829 -16.1829 -12.6423 -12.6423 -12.6213 -12.6213 -12.3627 -12.3627 -3.0015 -3.0014 -1.4082 -1.4070 -0.9414 -0.9403 -0.9334 -0.9327 2.3564 2.3573 2.5765 2.5786 2.6168 2.6177 3.5140 3.5174 3.9203 3.9231 4.4276 4.4279 4.5321 4.5342 5.4763 5.4773 10.6035 10.6050 15.0299 15.0339 15.0646 15.0646 15.4048 15.4067 k = 0.4359 0.5000-0.0000 ( 7796 PWs) bands (ev): -38.6125 -38.6125 -38.5627 -38.5627 -38.5612 -38.5612 -38.5549 -38.5549 -16.1808 -16.1808 -12.6417 -12.6417 -12.6270 -12.6270 -12.3639 -12.3639 -2.9953 -2.9952 -1.4126 -1.4116 -0.9421 -0.9414 -0.9360 -0.9353 2.3836 2.3845 2.5763 2.5782 2.6100 2.6111 3.5086 3.5115 3.9151 3.9174 4.4472 4.4474 4.5208 4.5226 5.4856 5.4864 10.5845 10.5857 15.0709 15.0747 15.0963 15.0965 15.4073 15.4091 k = 0.4487 0.5000-0.0000 ( 7802 PWs) bands (ev): -38.6123 -38.6123 -38.5625 -38.5625 -38.5614 -38.5614 -38.5551 -38.5551 -16.1791 -16.1791 -12.6413 -12.6413 -12.6318 -12.6318 -12.3649 -12.3649 -2.9901 -2.9900 -1.4162 -1.4155 -0.9428 -0.9423 -0.9380 -0.9373 2.4083 2.4091 2.5759 2.5776 2.6029 2.6040 3.5041 3.5064 3.9106 3.9126 4.4636 4.4636 4.5114 4.5129 5.4933 5.4940 10.5687 10.5697 15.1096 15.1130 15.1265 15.1270 15.4113 15.4130 k = 0.4615 0.5000-0.0000 ( 7804 PWs) bands (ev): -38.6120 -38.6120 -38.5622 -38.5622 -38.5616 -38.5616 -38.5553 -38.5553 -16.1778 -16.1778 -12.6409 -12.6409 -12.6356 -12.6356 -12.3657 -12.3656 -2.9861 -2.9860 -1.4191 -1.4185 -0.9434 -0.9431 -0.9395 -0.9388 2.4298 2.4305 2.5751 2.5766 2.5959 2.5970 3.5005 3.5023 3.9072 3.9086 4.4764 4.4764 4.5041 4.5053 5.4993 5.4999 10.5562 10.5570 15.1439 15.1468 15.1539 15.1544 15.4170 15.4186 k = 0.4744 0.5000-0.0000 ( 7808 PWs) bands (ev): -38.6119 -38.6119 -38.5621 -38.5621 -38.5618 -38.5618 -38.5555 -38.5555 -16.1768 -16.1768 -12.6407 -12.6406 -12.6383 -12.6383 -12.3662 -12.3662 -2.9832 -2.9831 -1.4211 -1.4207 -0.9439 -0.9438 -0.9404 -0.9399 2.4470 2.4476 2.5737 2.5748 2.5903 2.5912 3.4980 3.4992 3.9047 3.9057 4.4851 4.4852 4.4993 4.5002 5.5037 5.5041 10.5473 10.5478 15.1715 15.1736 15.1762 15.1768 15.4242 15.4255 k = 0.4872 0.5000-0.0000 ( 7804 PWs) bands (ev): -38.6118 -38.6118 -38.5620 -38.5620 -38.5619 -38.5619 -38.5556 -38.5556 -16.1762 -16.1762 -12.6405 -12.6405 -12.6398 -12.6398 -12.3666 -12.3666 -2.9814 -2.9814 -1.4223 -1.4221 -0.9443 -0.9443 -0.9408 -0.9405 2.4587 2.4590 2.5719 2.5724 2.5871 2.5876 3.4966 3.4972 3.9033 3.9038 4.4892 4.4892 4.4977 4.4982 5.5064 5.5066 10.5419 10.5422 15.1897 15.1906 15.1911 15.1917 15.4312 15.4318 k = 0.5000 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6117 -38.6117 -38.5619 -38.5619 -38.5619 -38.5619 -38.5556 -38.5556 -16.1760 -16.1760 -12.6406 -12.6406 -12.6403 -12.6403 -12.3667 -12.3667 -2.9808 -2.9808 -1.4226 -1.4226 -0.9445 -0.9445 -0.9408 -0.9408 2.4629 2.4629 2.5710 2.5710 2.5863 2.5863 3.4963 3.4963 3.9030 3.9030 4.4899 4.4899 4.4980 4.4980 5.5073 5.5073 10.5402 10.5402 15.1962 15.1962 15.1968 15.1968 15.4344 15.4344 k = 0.5000 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6117 -38.6117 -38.5619 -38.5619 -38.5619 -38.5619 -38.5556 -38.5556 -16.1760 -16.1760 -12.6406 -12.6406 -12.6403 -12.6403 -12.3667 -12.3667 -2.9808 -2.9808 -1.4226 -1.4226 -0.9445 -0.9445 -0.9408 -0.9408 2.4629 2.4629 2.5710 2.5710 2.5863 2.5863 3.4963 3.4963 3.9030 3.9030 4.4899 4.4899 4.4980 4.4980 5.5073 5.5073 10.5402 10.5402 15.1962 15.1962 15.1968 15.1968 15.4344 15.4344 k = 0.4911 0.4911-0.0000 ( 7796 PWs) bands (ev): -38.6118 -38.6118 -38.5619 -38.5619 -38.5619 -38.5619 -38.5556 -38.5556 -16.1762 -16.1762 -12.6404 -12.6404 -12.6400 -12.6400 -12.3666 -12.3666 -2.9814 -2.9814 -1.4223 -1.4221 -0.9443 -0.9443 -0.9408 -0.9405 2.4588 2.4591 2.5715 2.5718 2.5875 2.5880 3.4966 3.4971 3.9033 3.9038 4.4895 4.4895 4.4975 4.4979 5.5064 5.5066 10.5418 10.5421 15.1849 15.1856 15.1970 15.1970 15.4305 15.4310 k = 0.4821 0.4821-0.0000 ( 7808 PWs) bands (ev): -38.6119 -38.6119 -38.5620 -38.5620 -38.5619 -38.5619 -38.5555 -38.5555 -16.1768 -16.1768 -12.6397 -12.6397 -12.6393 -12.6393 -12.3662 -12.3662 -2.9831 -2.9830 -1.4211 -1.4207 -0.9439 -0.9438 -0.9404 -0.9399 2.4480 2.4485 2.5691 2.5696 2.5943 2.5955 3.4980 3.4991 3.9046 3.9056 4.4883 4.4884 4.4962 4.4971 5.5038 5.5042 10.5470 10.5475 15.1549 15.1561 15.1983 15.1985 15.4154 15.4158 k = 0.4732 0.4732-0.0000 ( 7808 PWs) bands (ev): -38.6120 -38.6120 -38.5621 -38.5621 -38.5618 -38.5618 -38.5553 -38.5553 -16.1777 -16.1777 -12.6386 -12.6386 -12.6380 -12.6380 -12.3657 -12.3657 -2.9859 -2.9859 -1.4191 -1.4186 -0.9431 -0.9431 -0.9398 -0.9390 2.4326 2.4331 2.5615 2.5621 2.6074 2.6090 3.5004 3.5022 3.9070 3.9085 4.4861 4.4863 4.4945 4.4958 5.4996 5.5001 10.5557 10.5564 15.1137 15.1153 15.2006 15.2009 15.3877 15.3878 k = 0.4643 0.4643-0.0000 ( 7800 PWs) bands (ev): -38.6123 -38.6123 -38.5621 -38.5621 -38.5618 -38.5618 -38.5551 -38.5551 -16.1790 -16.1790 -12.6371 -12.6371 -12.6362 -12.6362 -12.3649 -12.3649 -2.9899 -2.9898 -1.4163 -1.4156 -0.9421 -0.9421 -0.9388 -0.9378 2.4140 2.4145 2.5498 2.5506 2.6240 2.6260 3.5040 3.5063 3.9104 3.9123 4.4827 4.4830 4.4926 4.4944 5.4937 5.4944 10.5676 10.5686 15.0668 15.0687 15.2037 15.2041 15.3522 15.3525 k = 0.4554 0.4554-0.0000 ( 7796 PWs) bands (ev): -38.6125 -38.6125 -38.5622 -38.5622 -38.5616 -38.5616 -38.5549 -38.5549 -16.1807 -16.1807 -12.6352 -12.6352 -12.6339 -12.6338 -12.3640 -12.3640 -2.9951 -2.9950 -1.4127 -1.4117 -0.9408 -0.9407 -0.9374 -0.9363 2.3932 2.3936 2.5345 2.5354 2.6427 2.6451 3.5086 3.5115 3.9147 3.9171 4.4784 4.4787 4.4906 4.4927 5.4862 5.4870 10.5826 10.5839 15.0171 15.0194 15.2075 15.2080 15.3133 15.3139 k = 0.4464 0.4464-0.0000 ( 7796 PWs) bands (ev): -38.6129 -38.6129 -38.5623 -38.5623 -38.5615 -38.5615 -38.5546 -38.5546 -16.1828 -16.1828 -12.6328 -12.6328 -12.6310 -12.6310 -12.3628 -12.3628 -3.0014 -3.0012 -1.4082 -1.4071 -0.9393 -0.9391 -0.9357 -0.9344 2.3706 2.3709 2.5159 2.5170 2.6631 2.6658 3.5143 3.5178 3.9198 3.9227 4.4732 4.4734 4.4884 4.4909 5.4771 5.4782 10.6005 10.6020 14.9666 14.9691 15.2119 15.2124 15.2734 15.2741 k = 0.4375 0.4375-0.0000 ( 7792 PWs) bands (ev): -38.6133 -38.6133 -38.5624 -38.5624 -38.5614 -38.5614 -38.5543 -38.5543 -16.1851 -16.1851 -12.6301 -12.6301 -12.6276 -12.6276 -12.3615 -12.3614 -3.0088 -3.0087 -1.4028 -1.4015 -0.9375 -0.9371 -0.9336 -0.9322 2.3462 2.3464 2.4943 2.4955 2.6849 2.6878 3.5209 3.5249 3.9257 3.9290 4.4673 4.4675 4.4860 4.4889 5.4666 5.4678 10.6210 10.6226 14.9162 14.9189 15.2167 15.2173 15.2335 15.2344 k = 0.4286 0.4286-0.0000 ( 7814 PWs) bands (ev): -38.6138 -38.6138 -38.5625 -38.5625 -38.5612 -38.5612 -38.5540 -38.5540 -16.1879 -16.1879 -12.6269 -12.6269 -12.6238 -12.6238 -12.3600 -12.3599 -3.0175 -3.0173 -1.3966 -1.3952 -0.9354 -0.9349 -0.9311 -0.9297 2.3202 2.3203 2.4697 2.4711 2.7079 2.7111 3.5284 3.5330 3.9323 3.9359 4.4609 4.4611 4.4834 4.4866 5.4546 5.4559 10.6436 10.6455 14.8665 14.8695 15.1943 15.1949 15.2221 15.2225 k = 0.4196 0.4196-0.0000 ( 7814 PWs) bands (ev): -38.6143 -38.6143 -38.5625 -38.5625 -38.5611 -38.5611 -38.5536 -38.5536 -16.1910 -16.1910 -12.6233 -12.6233 -12.6195 -12.6194 -12.3583 -12.3582 -3.0273 -3.0271 -1.3895 -1.3879 -0.9331 -0.9323 -0.9282 -0.9268 2.2925 2.2926 2.4425 2.4440 2.7322 2.7357 3.5367 3.5420 3.9395 3.9435 4.4544 4.4544 4.4805 4.4840 5.4412 5.4427 10.6681 10.6702 14.8181 14.8213 15.1561 15.1569 15.2273 15.2277 k = 0.4107 0.4107-0.0000 ( 7814 PWs) bands (ev): -38.6149 -38.6149 -38.5626 -38.5626 -38.5609 -38.5609 -38.5533 -38.5533 -16.1944 -16.1944 -12.6193 -12.6193 -12.6146 -12.6146 -12.3564 -12.3564 -3.0383 -3.0381 -1.3815 -1.3798 -0.9305 -0.9295 -0.9250 -0.9236 2.2632 2.2632 2.4127 2.4143 2.7577 2.7616 3.5459 3.5517 3.9471 3.9514 4.4478 4.4478 4.4773 4.4811 5.4265 5.4281 10.6939 10.6962 14.7713 14.7747 15.1193 15.1201 15.2324 15.2328 k = 0.4018 0.4018-0.0000 ( 7804 PWs) bands (ev): -38.6155 -38.6155 -38.5625 -38.5625 -38.5606 -38.5606 -38.5529 -38.5529 -16.1981 -16.1981 -12.6149 -12.6148 -12.6094 -12.6094 -12.3545 -12.3544 -3.0505 -3.0503 -1.3727 -1.3708 -0.9275 -0.9263 -0.9215 -0.9201 2.2322 2.2323 2.3805 2.3822 2.7847 2.7888 3.5558 3.5622 3.9552 3.9598 4.4414 4.4415 4.4738 4.4778 5.4105 5.4122 10.7208 10.7233 14.7264 14.7299 15.0841 15.0849 15.2373 15.2377 k = 0.3929 0.3929-0.0000 ( 7804 PWs) bands (ev): -38.6162 -38.6162 -38.5625 -38.5625 -38.5604 -38.5604 -38.5526 -38.5526 -16.2021 -16.2021 -12.6100 -12.6100 -12.6037 -12.6036 -12.3524 -12.3523 -3.0639 -3.0637 -1.3629 -1.3609 -0.9242 -0.9229 -0.9177 -0.9162 2.1995 2.1997 2.3461 2.3479 2.8129 2.8173 3.5663 3.5733 3.9636 3.9685 4.4353 4.4356 4.4700 4.4742 5.3933 5.3952 10.7482 10.7508 14.6836 14.6873 15.0507 15.0514 15.2418 15.2421 k = 0.3839 0.3839-0.0000 ( 7802 PWs) bands (ev): -38.6170 -38.6170 -38.5624 -38.5624 -38.5602 -38.5602 -38.5523 -38.5523 -16.2064 -16.2064 -12.6047 -12.6047 -12.5975 -12.5975 -12.3501 -12.3501 -3.0785 -3.0783 -1.3523 -1.3501 -0.9206 -0.9190 -0.9136 -0.9121 2.1652 2.1654 2.3098 2.3115 2.8425 2.8472 3.5775 3.5851 3.9723 3.9774 4.4299 4.4302 4.4658 4.4703 5.3751 5.3771 10.7756 10.7784 14.6431 14.6470 15.0192 15.0199 15.2458 15.2461 k = 0.3750 0.3750-0.0000 ( 7798 PWs) bands (ev): -38.6178 -38.6178 -38.5623 -38.5623 -38.5599 -38.5599 -38.5519 -38.5519 -16.2110 -16.2110 -12.5991 -12.5990 -12.5910 -12.5909 -12.3478 -12.3478 -3.0943 -3.0941 -1.3408 -1.3385 -0.9166 -0.9149 -0.9091 -0.9077 2.1293 2.1296 2.2715 2.2733 2.8736 2.8785 3.5892 3.5973 3.9811 3.9864 4.4252 4.4256 4.4613 4.4661 5.3558 5.3579 10.8026 10.8056 14.6052 14.6092 14.9898 14.9905 15.2492 15.2494 k = 0.3661 0.3661-0.0000 ( 7794 PWs) bands (ev): -38.6186 -38.6186 -38.5622 -38.5622 -38.5596 -38.5596 -38.5516 -38.5516 -16.2158 -16.2158 -12.5930 -12.5930 -12.5840 -12.5840 -12.3454 -12.3454 -3.1112 -3.1111 -1.3284 -1.3260 -0.9122 -0.9104 -0.9045 -0.9030 2.0919 2.0922 2.2316 2.2334 2.9060 2.9113 3.6014 3.6101 3.9901 3.9956 4.4213 4.4218 4.4564 4.4615 5.3356 5.3378 10.8287 10.8318 14.5699 14.5740 14.9627 14.9634 15.2520 15.2521 k = 0.3571 0.3571-0.0000 ( 7792 PWs) bands (ev): -38.6195 -38.6195 -38.5620 -38.5620 -38.5593 -38.5593 -38.5513 -38.5513 -16.2209 -16.2209 -12.5865 -12.5865 -12.5767 -12.5767 -12.3430 -12.3429 -3.1293 -3.1291 -1.3151 -1.3126 -0.9075 -0.9055 -0.8995 -0.8980 2.0530 2.0534 2.1902 2.1920 2.9399 2.9454 3.6140 3.6233 3.9992 4.0048 4.4185 4.4190 4.4513 4.4566 5.3145 5.3168 10.8534 10.8566 14.5374 14.5416 14.9380 14.9387 15.2541 15.2541 k = 0.3482 0.3482-0.0000 ( 7798 PWs) bands (ev): -38.6205 -38.6205 -38.5618 -38.5618 -38.5590 -38.5590 -38.5510 -38.5510 -16.2261 -16.2261 -12.5797 -12.5796 -12.5690 -12.5690 -12.3405 -12.3404 -3.1485 -3.1483 -1.3010 -1.2984 -0.9025 -0.9004 -0.8943 -0.8927 2.0128 2.0132 2.1475 2.1492 2.9751 2.9809 3.6271 3.6368 4.0083 4.0141 4.4166 4.4171 4.4458 4.4514 5.2926 5.2950 10.8763 10.8796 14.5078 14.5120 14.9158 14.9166 15.2555 15.2556 k = 0.3393 0.3393-0.0000 ( 7810 PWs) bands (ev): -38.6215 -38.6215 -38.5616 -38.5616 -38.5587 -38.5587 -38.5507 -38.5507 -16.2316 -16.2316 -12.5725 -12.5724 -12.5610 -12.5610 -12.3379 -12.3379 -3.1688 -3.1686 -1.2861 -1.2834 -0.8971 -0.8949 -0.8889 -0.8873 1.9714 1.9718 2.1035 2.1053 3.0118 3.0178 3.6405 3.6508 4.0174 4.0233 4.4158 4.4163 4.4400 4.4460 5.2700 5.2725 10.8970 10.9004 14.4812 14.4854 14.8964 14.8972 15.2564 15.2565 k = 0.3304 0.3304-0.0000 ( 7814 PWs) bands (ev): -38.6225 -38.6225 -38.5613 -38.5613 -38.5583 -38.5583 -38.5504 -38.5504 -16.2373 -16.2373 -12.5649 -12.5648 -12.5527 -12.5526 -12.3354 -12.3353 -3.1901 -3.1900 -1.2704 -1.2677 -0.8913 -0.8891 -0.8833 -0.8816 1.9288 1.9293 2.0585 2.0603 3.0498 3.0561 3.6543 3.6650 4.0264 4.0325 4.4161 4.4164 4.4340 4.4404 5.2467 5.2493 10.9151 10.9185 14.4576 14.4617 14.8799 14.8807 15.2567 15.2569 k = 0.3214 0.3214-0.0000 ( 7816 PWs) bands (ev): -38.6235 -38.6235 -38.5610 -38.5610 -38.5580 -38.5580 -38.5502 -38.5502 -16.2432 -16.2432 -12.5570 -12.5569 -12.5441 -12.5440 -12.3328 -12.3327 -3.2124 -3.2123 -1.2540 -1.2512 -0.8852 -0.8830 -0.8775 -0.8756 1.8853 1.8858 2.0127 2.0144 3.0890 3.0956 3.6685 3.6796 4.0355 4.0416 4.4173 4.4175 4.4278 4.4348 5.2229 5.2255 10.9303 10.9337 14.4370 14.4410 14.8664 14.8673 15.2567 15.2570 k = 0.3125 0.3125-0.0000 ( 7812 PWs) bands (ev): -38.6246 -38.6246 -38.5607 -38.5607 -38.5576 -38.5576 -38.5499 -38.5499 -16.2492 -16.2492 -12.5487 -12.5487 -12.5352 -12.5352 -12.3302 -12.3302 -3.2357 -3.2355 -1.2368 -1.2339 -0.8788 -0.8766 -0.8715 -0.8695 1.8411 1.8415 1.9661 1.9678 3.1296 3.1364 3.6831 3.6946 4.0444 4.0506 4.4181 4.4191 4.4221 4.4301 5.1985 5.2012 10.9422 10.9456 14.4193 14.4232 14.8560 14.8570 15.2564 15.2567 k = 0.3036 0.3036-0.0000 ( 7808 PWs) bands (ev): -38.6257 -38.6257 -38.5603 -38.5603 -38.5573 -38.5573 -38.5497 -38.5497 -16.2553 -16.2553 -12.5402 -12.5401 -12.5261 -12.5261 -12.3277 -12.3276 -3.2598 -3.2596 -1.2190 -1.2161 -0.8722 -0.8700 -0.8653 -0.8632 1.7962 1.7966 1.9189 1.9206 3.1713 3.1784 3.6980 3.7099 4.0533 4.0595 4.4142 4.4165 4.4237 4.4286 5.1737 5.1765 10.9506 10.9540 14.4045 14.4082 14.8490 14.8501 15.2559 15.2562 k = 0.2946 0.2946-0.0000 ( 7797 PWs) bands (ev): -38.6268 -38.6268 -38.5599 -38.5599 -38.5569 -38.5569 -38.5495 -38.5495 -16.2615 -16.2615 -12.5313 -12.5313 -12.5168 -12.5167 -12.3252 -12.3251 -3.2847 -3.2845 -1.2005 -1.1976 -0.8653 -0.8632 -0.8590 -0.8567 1.7508 1.7513 1.8713 1.8729 3.2140 3.2214 3.7133 3.7256 4.0620 4.0683 4.4075 4.4115 4.4279 4.4311 5.1486 5.1514 10.9554 10.9588 14.3924 14.3960 14.8454 14.8465 15.2553 15.2557 k = 0.2857 0.2857-0.0000 ( 7789 PWs) bands (ev): -38.6279 -38.6279 -38.5595 -38.5595 -38.5565 -38.5565 -38.5493 -38.5493 -16.2679 -16.2679 -12.5222 -12.5221 -12.5073 -12.5072 -12.3227 -12.3226 -3.3103 -3.3102 -1.1815 -1.1785 -0.8581 -0.8562 -0.8526 -0.8500 1.7052 1.7057 1.8234 1.8250 3.2578 3.2655 3.7291 3.7417 4.0707 4.0770 4.4005 4.4053 4.4329 4.4355 5.1231 5.1259 10.9565 10.9597 14.3829 14.3863 14.8453 14.8465 15.2547 15.2551 k = 0.2768 0.2768-0.0000 ( 7783 PWs) bands (ev): -38.6290 -38.6290 -38.5591 -38.5591 -38.5561 -38.5561 -38.5491 -38.5491 -16.2743 -16.2743 -12.5128 -12.5128 -12.4976 -12.4976 -12.3203 -12.3202 -3.3366 -3.3364 -1.1620 -1.1590 -0.8508 -0.8491 -0.8460 -0.8432 1.6595 1.6599 1.7754 1.7769 3.3024 3.3104 3.7453 3.7582 4.0792 4.0856 4.3936 4.3987 4.4386 4.4410 5.0973 5.1002 10.9537 10.9569 14.3759 14.3790 14.8487 14.8499 15.2542 15.2547 k = 0.2679 0.2679-0.0000 ( 7781 PWs) bands (ev): -38.6301 -38.6301 -38.5586 -38.5586 -38.5557 -38.5557 -38.5489 -38.5489 -16.2807 -16.2807 -12.5032 -12.5032 -12.4879 -12.4878 -12.3179 -12.3178 -3.3634 -3.3633 -1.1421 -1.1390 -0.8433 -0.8420 -0.8394 -0.8361 1.6138 1.6143 1.7273 1.7287 3.3479 3.3562 3.7620 3.7753 4.0876 4.0939 4.3866 4.3919 4.4448 4.4470 5.0714 5.0742 10.9472 10.9502 14.3711 14.3740 14.8556 14.8569 15.2538 15.2544 k = 0.2589 0.2589-0.0000 ( 7781 PWs) bands (ev): -38.6313 -38.6313 -38.5581 -38.5581 -38.5553 -38.5553 -38.5488 -38.5488 -16.2872 -16.2872 -12.4935 -12.4934 -12.4780 -12.4779 -12.3156 -12.3155 -3.3907 -3.3906 -1.1217 -1.1187 -0.8357 -0.8348 -0.8326 -0.8289 1.5684 1.5688 1.6793 1.6807 3.3939 3.4026 3.7792 3.7929 4.0959 4.1022 4.3796 4.3851 4.4515 4.4536 5.0452 5.0481 10.9370 10.9398 14.3685 14.3711 14.8659 14.8674 15.2537 15.2543 k = 0.2500 0.2500-0.0000 ( 7781 PWs) bands (ev): -38.6324 -38.6324 -38.5577 -38.5577 -38.5550 -38.5550 -38.5486 -38.5486 -16.2936 -16.2936 -12.4836 -12.4835 -12.4681 -12.4680 -12.3133 -12.3132 -3.4183 -3.4183 -1.1011 -1.0981 -0.8281 -0.8277 -0.8258 -0.8216 1.5234 1.5238 1.6316 1.6329 3.4405 3.4495 3.7971 3.8111 4.1041 4.1103 4.3727 4.3783 4.4584 4.4604 5.0190 5.0218 10.9231 10.9259 14.3677 14.3701 14.8796 14.8811 15.2539 15.2545 k = 0.2411 0.2411-0.0000 ( 7781 PWs) bands (ev): -38.6336 -38.6336 -38.5572 -38.5572 -38.5546 -38.5546 -38.5485 -38.5485 -16.3001 -16.3001 -12.4735 -12.4735 -12.4581 -12.4580 -12.3112 -12.3111 -3.4463 -3.4462 -1.0803 -1.0773 -0.8206 -0.8206 -0.8188 -0.8142 1.4789 1.4794 1.5843 1.5855 3.4874 3.4968 3.8156 3.8299 4.1121 4.1183 4.3659 4.3716 4.4655 4.4674 4.9926 4.9955 10.9059 10.9084 14.3688 14.3709 14.8964 14.8980 15.2545 15.2550 k = 0.2321 0.2321-0.0000 ( 7791 PWs) bands (ev): -38.6347 -38.6347 -38.5567 -38.5567 -38.5542 -38.5542 -38.5484 -38.5484 -16.3065 -16.3065 -12.4634 -12.4633 -12.4481 -12.4481 -12.3091 -12.3090 -3.4744 -3.4743 -1.0593 -1.0563 -0.8135 -0.8133 -0.8116 -0.8067 1.4352 1.4356 1.5374 1.5386 3.5345 3.5442 3.8348 3.8494 4.1200 4.1261 4.3593 4.3651 4.4727 4.4745 4.9663 4.9691 10.8854 10.8878 14.3716 14.3735 14.9162 14.9178 15.2553 15.2559 k = 0.2232 0.2232-0.0000 ( 7789 PWs) bands (ev): -38.6358 -38.6358 -38.5562 -38.5562 -38.5538 -38.5538 -38.5483 -38.5483 -16.3129 -16.3129 -12.4531 -12.4531 -12.4382 -12.4381 -12.3071 -12.3070 -3.5026 -3.5025 -1.0382 -1.0352 -0.8066 -0.8063 -0.8041 -0.7992 1.3923 1.3927 1.4912 1.4923 3.5815 3.5917 3.8548 3.8698 4.1278 4.1338 4.3530 4.3587 4.4797 4.4814 4.9399 4.9427 10.8620 10.8642 14.3761 14.3776 14.9385 14.9401 15.2566 15.2572 k = 0.2143 0.2143-0.0000 ( 7789 PWs) bands (ev): -38.6369 -38.6369 -38.5557 -38.5557 -38.5534 -38.5534 -38.5482 -38.5482 -16.3192 -16.3192 -12.4429 -12.4429 -12.4283 -12.4282 -12.3052 -12.3051 -3.5308 -3.5307 -1.0171 -1.0142 -0.7997 -0.7995 -0.7965 -0.7918 1.3505 1.3508 1.4457 1.4467 3.6283 3.6390 3.8756 3.8910 4.1355 4.1414 4.3469 4.3526 4.4865 4.4881 4.9137 4.9164 10.8359 10.8380 14.3820 14.3834 14.9631 14.9647 15.2583 15.2589 k = 0.2054 0.2054-0.0000 ( 7801 PWs) bands (ev): -38.6380 -38.6380 -38.5552 -38.5552 -38.5530 -38.5530 -38.5482 -38.5482 -16.3254 -16.3254 -12.4327 -12.4326 -12.4185 -12.4185 -12.3034 -12.3033 -3.5588 -3.5588 -0.9961 -0.9932 -0.7929 -0.7928 -0.7891 -0.7844 1.3097 1.3100 1.4010 1.4020 3.6747 3.6858 3.8974 3.9131 4.1430 4.1488 4.3411 4.3468 4.4929 4.4945 4.8875 4.8902 10.8075 10.8093 14.3895 14.3906 14.9896 14.9912 15.2604 15.2610 k = 0.1964 0.1964-0.0000 ( 7801 PWs) bands (ev): -38.6391 -38.6391 -38.5547 -38.5547 -38.5527 -38.5527 -38.5481 -38.5481 -16.3315 -16.3315 -12.4225 -12.4224 -12.4088 -12.4088 -12.3016 -12.3016 -3.5866 -3.5866 -0.9753 -0.9725 -0.7862 -0.7862 -0.7817 -0.7772 1.2701 1.2705 1.3574 1.3583 3.7203 3.7319 3.9202 3.9363 4.1505 4.1562 4.3357 4.3413 4.4989 4.5004 4.8615 4.8641 10.7769 10.7786 14.3984 14.3993 15.0176 15.0192 15.2628 15.2635 k = 0.1875 0.1875-0.0000 ( 7805 PWs) bands (ev): -38.6401 -38.6401 -38.5542 -38.5542 -38.5523 -38.5523 -38.5480 -38.5480 -16.3374 -16.3374 -12.4124 -12.4124 -12.3993 -12.3993 -12.3000 -12.2999 -3.6141 -3.6140 -0.9547 -0.9519 -0.7797 -0.7797 -0.7746 -0.7702 1.2319 1.2323 1.3148 1.3156 3.7649 3.7769 3.9442 3.9606 4.1579 4.1634 4.3306 4.3361 4.5044 4.5058 4.8356 4.8383 10.7447 10.7462 14.4087 14.4095 15.0467 15.0482 15.2657 15.2664 k = 0.1786 0.1786-0.0000 ( 7811 PWs) bands (ev): -38.6412 -38.6412 -38.5537 -38.5537 -38.5520 -38.5520 -38.5480 -38.5480 -16.3432 -16.3432 -12.4024 -12.4024 -12.3900 -12.3900 -12.2985 -12.2984 -3.6411 -3.6411 -0.9344 -0.9317 -0.7733 -0.7733 -0.7676 -0.7634 1.1952 1.1955 1.2734 1.2742 3.8081 3.8204 3.9697 3.9862 4.1652 4.1705 4.3260 4.3314 4.5092 4.5106 4.8100 4.8126 10.7110 10.7123 14.4205 14.4211 15.0764 15.0779 15.2689 15.2696 k = 0.1696 0.1696-0.0000 ( 7811 PWs) bands (ev): -38.6421 -38.6421 -38.5532 -38.5532 -38.5516 -38.5516 -38.5480 -38.5480 -16.3489 -16.3489 -12.3926 -12.3926 -12.3809 -12.3809 -12.2970 -12.2970 -3.6676 -3.6675 -0.9145 -0.9120 -0.7671 -0.7670 -0.7610 -0.7569 1.1599 1.1602 1.2333 1.2340 3.8497 3.8620 3.9967 4.0132 4.1725 4.1775 4.3217 4.3270 4.5134 4.5147 4.7847 4.7872 10.6762 10.6774 14.4336 14.4342 15.1063 15.1077 15.2725 15.2732 k = 0.1607 0.1607-0.0000 ( 7821 PWs) bands (ev): -38.6431 -38.6431 -38.5527 -38.5527 -38.5513 -38.5513 -38.5480 -38.5480 -16.3543 -16.3543 -12.3830 -12.3830 -12.3721 -12.3720 -12.2957 -12.2956 -3.6934 -3.6933 -0.8952 -0.8927 -0.7610 -0.7609 -0.7546 -0.7507 1.1262 1.1265 1.1946 1.1952 3.8893 3.9014 4.0256 4.0417 4.1797 4.1845 4.3180 4.3231 4.5167 4.5179 4.7597 4.7621 10.6407 10.6418 14.4482 14.4486 15.1360 15.1374 15.2764 15.2771 k = 0.1518 0.1518-0.0000 ( 7823 PWs) bands (ev): -38.6440 -38.6440 -38.5523 -38.5523 -38.5509 -38.5509 -38.5479 -38.5479 -16.3596 -16.3596 -12.3736 -12.3736 -12.3635 -12.3635 -12.2944 -12.2944 -3.7184 -3.7184 -0.8763 -0.8739 -0.7552 -0.7550 -0.7485 -0.7448 1.0941 1.0944 1.1574 1.1580 3.9268 3.9382 4.0562 4.0715 4.1870 4.1915 4.3146 4.3196 4.5192 4.5204 4.7351 4.7374 10.6048 10.6057 14.4641 14.4644 15.1651 15.1664 15.2805 15.2813 k = 0.1429 0.1429-0.0000 ( 7819 PWs) bands (ev): -38.6449 -38.6449 -38.5518 -38.5518 -38.5506 -38.5506 -38.5479 -38.5479 -16.3646 -16.3646 -12.3645 -12.3645 -12.3553 -12.3552 -12.2933 -12.2932 -3.7426 -3.7426 -0.8581 -0.8558 -0.7495 -0.7494 -0.7427 -0.7392 1.0638 1.0640 1.1217 1.1223 3.9620 3.9724 4.0884 4.1026 4.1943 4.1985 4.3118 4.3165 4.5207 4.5219 4.7109 4.7131 10.5688 10.5696 14.4813 14.4815 15.1931 15.1944 15.2849 15.2857 k = 0.1339 0.1339-0.0000 ( 7831 PWs) bands (ev): -38.6457 -38.6457 -38.5514 -38.5514 -38.5503 -38.5503 -38.5479 -38.5479 -16.3694 -16.3694 -12.3558 -12.3558 -12.3473 -12.3473 -12.2922 -12.2921 -3.7659 -3.7659 -0.8406 -0.8384 -0.7441 -0.7439 -0.7373 -0.7340 1.0352 1.0354 1.0878 1.0883 3.9952 4.0042 4.1217 4.1346 4.2018 4.2055 4.3093 4.3138 4.5213 4.5224 4.6871 4.6893 10.5331 10.5337 14.4997 14.4999 15.2197 15.2209 15.2895 15.2903 k = 0.1250 0.1250-0.0000 ( 7823 PWs) bands (ev): -38.6465 -38.6465 -38.5510 -38.5510 -38.5500 -38.5500 -38.5479 -38.5479 -16.3740 -16.3740 -12.3474 -12.3474 -12.3398 -12.3397 -12.2912 -12.2911 -3.7882 -3.7881 -0.8238 -0.8217 -0.7389 -0.7388 -0.7323 -0.7291 1.0083 1.0086 1.0556 1.0561 4.0263 4.0340 4.1553 4.1670 4.2095 4.2127 4.3073 4.3115 4.5209 4.5220 4.6639 4.6660 10.4979 10.4984 14.5194 14.5195 15.2444 15.2455 15.2942 15.2950 k = 0.1161 0.1161-0.0000 ( 7825 PWs) bands (ev): -38.6473 -38.6473 -38.5506 -38.5506 -38.5498 -38.5498 -38.5479 -38.5479 -16.3783 -16.3783 -12.3394 -12.3393 -12.3326 -12.3326 -12.2903 -12.2902 -3.8093 -3.8093 -0.8079 -0.8059 -0.7340 -0.7338 -0.7276 -0.7246 0.9833 0.9836 1.0253 1.0257 4.0558 4.0621 4.1879 4.1988 4.2182 4.2204 4.3056 4.3096 4.5195 4.5206 4.6413 4.6433 10.4635 10.4639 14.5402 14.5403 15.2668 15.2678 15.2990 15.2999 k = 0.1071 0.1071-0.0000 ( 7821 PWs) bands (ev): -38.6480 -38.6480 -38.5503 -38.5503 -38.5495 -38.5495 -38.5479 -38.5479 -16.3824 -16.3824 -12.3318 -12.3318 -12.3259 -12.3259 -12.2894 -12.2894 -3.8292 -3.8292 -0.7929 -0.7911 -0.7294 -0.7292 -0.7233 -0.7205 0.9602 0.9604 0.9969 0.9973 4.0838 4.0889 4.2147 4.2236 4.2321 4.2346 4.3044 4.3081 4.5170 4.5181 4.6193 4.6212 10.4303 10.4307 14.5621 14.5621 15.2867 15.2875 15.3039 15.3048 k = 0.0982 0.0982-0.0000 ( 7819 PWs) bands (ev): -38.6486 -38.6486 -38.5499 -38.5499 -38.5493 -38.5493 -38.5479 -38.5479 -16.3861 -16.3861 -12.3247 -12.3247 -12.3196 -12.3196 -12.2887 -12.2886 -3.8478 -3.8478 -0.7788 -0.7771 -0.7251 -0.7249 -0.7193 -0.7168 0.9388 0.9390 0.9705 0.9708 4.1106 4.1146 4.2279 4.2330 4.2585 4.2633 4.3034 4.3069 4.5135 4.5145 4.5980 4.5999 10.3986 10.3989 14.5848 14.5848 15.3035 15.3038 15.3089 15.3102 k = 0.0893 0.0893-0.0000 ( 7825 PWs) bands (ev): -38.6492 -38.6492 -38.5496 -38.5496 -38.5491 -38.5491 -38.5479 -38.5479 -16.3896 -16.3896 -12.3181 -12.3181 -12.3138 -12.3137 -12.2880 -12.2880 -3.8651 -3.8651 -0.7658 -0.7642 -0.7211 -0.7210 -0.7157 -0.7134 0.9194 0.9196 0.9461 0.9464 4.1362 4.1393 4.2369 4.2408 4.2875 4.2922 4.3028 4.3061 4.5089 4.5099 4.5776 4.5794 10.3686 10.3688 14.6083 14.6083 15.3128 15.3130 15.3182 15.3196 k = 0.0804 0.0804-0.0000 ( 7833 PWs) bands (ev): -38.6498 -38.6498 -38.5493 -38.5493 -38.5489 -38.5489 -38.5480 -38.5480 -16.3928 -16.3928 -12.3120 -12.3120 -12.3084 -12.3084 -12.2874 -12.2874 -3.8809 -3.8809 -0.7538 -0.7524 -0.7175 -0.7173 -0.7124 -0.7104 0.9018 0.9020 0.9239 0.9242 4.1606 4.1630 4.2454 4.2485 4.3024 4.3047 4.3159 4.3195 4.5032 4.5043 4.5581 4.5598 10.3406 10.3407 14.6322 14.6323 15.3175 15.3179 15.3288 15.3298 k = 0.0714 0.0714-0.0000 ( 7835 PWs) bands (ev): -38.6503 -38.6503 -38.5490 -38.5490 -38.5487 -38.5487 -38.5480 -38.5480 -16.3957 -16.3957 -12.3065 -12.3065 -12.3036 -12.3036 -12.2869 -12.2868 -3.8953 -3.8953 -0.7429 -0.7417 -0.7142 -0.7141 -0.7095 -0.7077 0.8860 0.8862 0.9039 0.9041 4.1840 4.1858 4.2537 4.2564 4.3022 4.3045 4.3413 4.3446 4.4966 4.4976 4.5398 4.5413 10.3148 10.3149 14.6565 14.6565 15.3218 15.3223 15.3365 15.3373 k = 0.0625 0.0625-0.0000 ( 7829 PWs) bands (ev): -38.6507 -38.6507 -38.5488 -38.5488 -38.5485 -38.5485 -38.5480 -38.5480 -16.3982 -16.3982 -12.3015 -12.3015 -12.2993 -12.2993 -12.2864 -12.2864 -3.9081 -3.9081 -0.7333 -0.7322 -0.7114 -0.7112 -0.7068 -0.7053 0.8722 0.8723 0.8861 0.8862 4.2061 4.2074 4.2621 4.2643 4.3022 4.3043 4.3644 4.3671 4.4890 4.4900 4.5227 4.5242 10.2915 10.2915 14.6806 14.6806 15.3258 15.3262 15.3414 15.3421 k = 0.0536 0.0536-0.0000 ( 7823 PWs) bands (ev): -38.6511 -38.6511 -38.5486 -38.5486 -38.5484 -38.5484 -38.5480 -38.5480 -16.4004 -16.4004 -12.2972 -12.2972 -12.2955 -12.2955 -12.2860 -12.2860 -3.9193 -3.9193 -0.7248 -0.7240 -0.7089 -0.7087 -0.7044 -0.7032 0.8602 0.8603 0.8705 0.8707 4.2268 4.2277 4.2704 4.2722 4.3024 4.3042 4.3845 4.3868 4.4806 4.4816 4.5072 4.5085 10.2708 10.2709 14.7041 14.7041 15.3294 15.3298 15.3439 15.3444 k = 0.0446 0.0446-0.0000 ( 7821 PWs) bands (ev): -38.6514 -38.6514 -38.5484 -38.5484 -38.5483 -38.5483 -38.5480 -38.5480 -16.4023 -16.4023 -12.2935 -12.2935 -12.2923 -12.2923 -12.2857 -12.2857 -3.9289 -3.9289 -0.7176 -0.7170 -0.7069 -0.7067 -0.7023 -0.7014 0.8500 0.8502 0.8573 0.8574 4.2458 4.2463 4.2786 4.2799 4.3029 4.3042 4.4014 4.4032 4.4720 4.4729 4.4935 4.4947 10.2530 10.2530 14.7263 14.7264 15.3326 15.3329 15.3446 15.3450 k = 0.0357 0.0357-0.0000 ( 7829 PWs) bands (ev): -38.6517 -38.6517 -38.5483 -38.5483 -38.5482 -38.5482 -38.5480 -38.5480 -16.4039 -16.4039 -12.2905 -12.2905 -12.2896 -12.2896 -12.2854 -12.2854 -3.9367 -3.9367 -0.7118 -0.7114 -0.7052 -0.7050 -0.7004 -0.6998 0.8418 0.8419 0.8465 0.8466 4.2625 4.2627 4.2865 4.2874 4.3035 4.3045 4.4143 4.4156 4.4641 4.4648 4.4818 4.4827 10.2382 10.2382 14.7467 14.7467 15.3352 15.3355 15.3440 15.3444 k = 0.0268 0.0268-0.0000 ( 7821 PWs) bands (ev): -38.6519 -38.6519 -38.5482 -38.5482 -38.5481 -38.5481 -38.5480 -38.5480 -16.4051 -16.4051 -12.2881 -12.2881 -12.2875 -12.2875 -12.2852 -12.2852 -3.9429 -3.9429 -0.7074 -0.7072 -0.7039 -0.7037 -0.6987 -0.6984 0.8353 0.8354 0.8380 0.8381 4.2761 4.2761 4.2940 4.2944 4.3046 4.3052 4.4223 4.4231 4.4586 4.4590 4.4721 4.4728 10.2265 10.2265 14.7641 14.7641 15.3373 15.3375 15.3430 15.3432 k = 0.0179 0.0179-0.0000 ( 7809 PWs) bands (ev): -38.6520 -38.6520 -38.5481 -38.5481 -38.5481 -38.5481 -38.5480 -38.5480 -16.4060 -16.4060 -12.2865 -12.2865 -12.2860 -12.2860 -12.2850 -12.2850 -3.9473 -3.9473 -0.7044 -0.7043 -0.7030 -0.7029 -0.6973 -0.6972 0.8308 0.8308 0.8319 0.8320 4.2853 4.2854 4.3008 4.3009 4.3060 4.3062 4.4247 4.4250 4.4570 4.4570 4.4646 4.4651 10.2181 10.2181 14.7776 14.7776 15.3388 15.3389 15.3419 15.3421 k = 0.0089 0.0089-0.0000 ( 7809 PWs) bands (ev): -38.6521 -38.6521 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4065 -16.4065 -12.2856 -12.2856 -12.2851 -12.2850 -12.2848 -12.2848 -3.9500 -3.9500 -0.7027 -0.7027 -0.7024 -0.7024 -0.6964 -0.6964 0.8280 0.8280 0.8283 0.8283 4.2902 4.2902 4.3060 4.3060 4.3073 4.3074 4.4239 4.4239 4.4576 4.4577 4.4598 4.4600 10.2131 10.2131 14.7862 14.7862 15.3392 15.3392 15.3413 15.3414 k = 0.0000 0.0000 0.0000 ( 7809 PWs) bands (ev): -38.6522 -38.6522 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4066 -16.4066 -12.2853 -12.2853 -12.2847 -12.2847 -12.2847 -12.2847 -3.9509 -3.9509 -0.7022 -0.7022 -0.7022 -0.7022 -0.6961 -0.6961 0.8271 0.8271 0.8271 0.8271 4.2916 4.2916 4.3079 4.3079 4.3079 4.3079 4.4231 4.4231 4.4582 4.4582 4.4582 4.4582 10.2114 10.2114 14.7892 14.7892 15.3387 15.3387 15.3413 15.3413 k = 0.0000 0.0000 0.0000 ( 7809 PWs) bands (ev): -38.6522 -38.6522 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4066 -16.4066 -12.2853 -12.2853 -12.2847 -12.2847 -12.2847 -12.2847 -3.9509 -3.9509 -0.7022 -0.7022 -0.7022 -0.7022 -0.6961 -0.6961 0.8271 0.8271 0.8271 0.8271 4.2916 4.2916 4.3079 4.3079 4.3079 4.3079 4.4231 4.4231 4.4582 4.4582 4.4582 4.4582 10.2114 10.2114 14.7892 14.7892 15.3387 15.3387 15.3413 15.3413 k = 0.0074 0.0074 0.0074 ( 7809 PWs) bands (ev): -38.6521 -38.6521 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -38.5480 -16.4065 -16.4065 -12.2856 -12.2856 -12.2850 -12.2850 -12.2849 -12.2849 -3.9499 -3.9499 -0.7027 -0.7027 -0.7025 -0.7024 -0.6964 -0.6964 0.8282 0.8282 0.8282 0.8282 4.2902 4.2902 4.3058 4.3058 4.3075 4.3075 4.4239 4.4239 4.4576 4.4576 4.4599 4.4601 10.2131 10.2131 14.7862 14.7862 15.3392 15.3392 15.3411 15.3413 k = 0.0147 0.0147 0.0147 ( 7809 PWs) bands (ev): -38.6520 -38.6520 -38.5481 -38.5481 -38.5480 -38.5480 -38.5480 -38.5480 -16.4059 -16.4059 -12.2863 -12.2863 -12.2857 -12.2857 -12.2856 -12.2856 -3.9472 -3.9472 -0.7043 -0.7043 -0.7031 -0.7029 -0.6973 -0.6973 0.8314 0.8314 0.8314 0.8315 4.2852 4.2852 4.2996 4.2996 4.3074 4.3074 4.4247 4.4247 4.4569 4.4569 4.4648 4.4653 10.2182 10.2182 14.7775 14.7775 15.3389 15.3389 15.3407 15.3410 k = 0.0221 0.0221 0.0221 ( 7818 PWs) bands (ev): -38.6519 -38.6519 -38.5481 -38.5481 -38.5481 -38.5481 -38.5481 -38.5481 -16.4051 -16.4051 -12.2875 -12.2875 -12.2868 -12.2868 -12.2866 -12.2866 -3.9427 -3.9427 -0.7072 -0.7072 -0.7041 -0.7038 -0.6987 -0.6987 0.8368 0.8368 0.8368 0.8370 4.2764 4.2764 4.2902 4.2902 4.3086 4.3086 4.4219 4.4219 4.4590 4.4590 4.4723 4.4730 10.2268 10.2268 14.7638 14.7638 15.3381 15.3381 15.3399 15.3404 k = 0.0294 0.0294 0.0294 ( 7830 PWs) bands (ev): -38.6517 -38.6517 -38.5482 -38.5482 -38.5481 -38.5481 -38.5481 -38.5481 -16.4038 -16.4038 -12.2892 -12.2892 -12.2884 -12.2884 -12.2881 -12.2881 -3.9365 -3.9365 -0.7114 -0.7114 -0.7055 -0.7052 -0.7003 -0.7003 0.8444 0.8444 0.8444 0.8446 4.2646 4.2646 4.2783 4.2784 4.3114 4.3114 4.4132 4.4132 4.4652 4.4652 4.4817 4.4825 10.2386 10.2386 14.7464 14.7464 15.3365 15.3365 15.3384 15.3391 k = 0.0368 0.0368 0.0368 ( 7827 PWs) bands (ev): -38.6514 -38.6514 -38.5483 -38.5483 -38.5482 -38.5482 -38.5482 -38.5482 -16.4022 -16.4022 -12.2915 -12.2915 -12.2903 -12.2903 -12.2900 -12.2900 -3.9285 -3.9285 -0.7170 -0.7170 -0.7073 -0.7069 -0.7023 -0.7023 0.8541 0.8541 0.8542 0.8544 4.2509 4.2509 4.2646 4.2648 4.3154 4.3154 4.3992 4.3992 4.4743 4.4743 4.4921 4.4931 10.2536 10.2536 14.7262 14.7262 15.3337 15.3337 15.3359 15.3367 k = 0.0441 0.0441 0.0441 ( 7833 PWs) bands (ev): -38.6511 -38.6511 -38.5485 -38.5485 -38.5483 -38.5483 -38.5483 -38.5483 -16.4003 -16.4003 -12.2942 -12.2942 -12.2926 -12.2926 -12.2923 -12.2923 -3.9187 -3.9187 -0.7239 -0.7239 -0.7095 -0.7090 -0.7046 -0.7046 0.8660 0.8660 0.8661 0.8664 4.2358 4.2358 4.2497 4.2499 4.3205 4.3205 4.3810 4.3810 4.4849 4.4849 4.5032 4.5044 10.2716 10.2716 14.7044 14.7044 15.3295 15.3295 15.3319 15.3329 k = 0.0515 0.0515 0.0515 ( 7827 PWs) bands (ev): -38.6507 -38.6507 -38.5486 -38.5486 -38.5484 -38.5484 -38.5484 -38.5484 -16.3980 -16.3980 -12.2975 -12.2975 -12.2954 -12.2954 -12.2950 -12.2950 -3.9073 -3.9073 -0.7320 -0.7320 -0.7122 -0.7116 -0.7073 -0.7073 0.8799 0.8799 0.8801 0.8804 4.2199 4.2199 4.2339 4.2342 4.3266 4.3266 4.3591 4.3591 4.4961 4.4961 4.5146 4.5159 10.2923 10.2923 14.6818 14.6818 15.3233 15.3233 15.3260 15.3271 k = 0.0588 0.0588 0.0588 ( 7833 PWs) bands (ev): -38.6503 -38.6503 -38.5488 -38.5488 -38.5485 -38.5485 -38.5485 -38.5485 -16.3954 -16.3954 -12.3013 -12.3013 -12.2985 -12.2985 -12.2981 -12.2981 -3.8942 -3.8942 -0.7413 -0.7413 -0.7153 -0.7146 -0.7104 -0.7104 0.8960 0.8960 0.8963 0.8966 4.2034 4.2034 4.2175 4.2180 4.3326 4.3326 4.3350 4.3350 4.5075 4.5075 4.5261 4.5275 10.3157 10.3157 14.6590 14.6590 15.3149 15.3149 15.3178 15.3191 k = 0.0662 0.0662 0.0662 ( 7833 PWs) bands (ev): -38.6497 -38.6497 -38.5490 -38.5490 -38.5486 -38.5486 -38.5486 -38.5486 -16.3925 -16.3925 -12.3055 -12.3055 -12.3019 -12.3019 -12.3016 -12.3015 -3.8795 -3.8795 -0.7516 -0.7516 -0.7188 -0.7181 -0.7139 -0.7139 0.9141 0.9141 0.9146 0.9149 4.1866 4.1866 4.2008 4.2014 4.3054 4.3054 4.3419 4.3419 4.5190 4.5190 4.5375 4.5391 10.3414 10.3414 14.6367 14.6367 15.3039 15.3039 15.3070 15.3085 k = 0.0735 0.0735 0.0735 ( 7821 PWs) bands (ev): -38.6492 -38.6492 -38.5492 -38.5492 -38.5487 -38.5487 -38.5487 -38.5487 -16.3892 -16.3892 -12.3102 -12.3102 -12.3058 -12.3058 -12.3054 -12.3054 -3.8632 -3.8632 -0.7630 -0.7630 -0.7228 -0.7220 -0.7178 -0.7178 0.9344 0.9344 0.9349 0.9353 4.1697 4.1697 4.1840 4.1847 4.2742 4.2742 4.3509 4.3509 4.5303 4.5303 4.5487 4.5504 10.3690 10.3690 14.6153 14.6153 15.2901 15.2901 15.2935 15.2951 k = 0.0809 0.0809 0.0809 ( 7818 PWs) bands (ev): -38.6486 -38.6486 -38.5495 -38.5495 -38.5488 -38.5488 -38.5488 -38.5488 -16.3856 -16.3856 -12.3153 -12.3153 -12.3100 -12.3100 -12.3097 -12.3096 -3.8455 -3.8455 -0.7754 -0.7754 -0.7273 -0.7265 -0.7223 -0.7223 0.9566 0.9566 0.9572 0.9577 4.1527 4.1527 4.1671 4.1679 4.2403 4.2403 4.3609 4.3609 4.5413 4.5413 4.5597 4.5614 10.3984 10.3984 14.5952 14.5952 15.2734 15.2734 15.2770 15.2788 k = 0.0882 0.0882 0.0882 ( 7824 PWs) bands (ev): -38.6479 -38.6479 -38.5497 -38.5497 -38.5490 -38.5490 -38.5490 -38.5490 -16.3817 -16.3817 -12.3208 -12.3208 -12.3146 -12.3146 -12.3143 -12.3142 -3.8263 -3.8263 -0.7886 -0.7886 -0.7323 -0.7314 -0.7272 -0.7272 0.9808 0.9808 0.9816 0.9821 4.1357 4.1357 4.1504 4.1513 4.2041 4.2041 4.3717 4.3717 4.5521 4.5521 4.5703 4.5722 10.4292 10.4292 14.5768 14.5768 15.2539 15.2539 15.2577 15.2595 k = 0.0956 0.0956 0.0956 ( 7842 PWs) bands (ev): -38.6472 -38.6472 -38.5500 -38.5500 -38.5492 -38.5492 -38.5492 -38.5492 -16.3775 -16.3775 -12.3267 -12.3267 -12.3196 -12.3196 -12.3192 -12.3191 -3.8058 -3.8058 -0.8026 -0.8026 -0.7378 -0.7369 -0.7327 -0.7327 1.0070 1.0070 1.0079 1.0085 4.1186 4.1186 4.1338 4.1349 4.1658 4.1658 4.3834 4.3834 4.5625 4.5625 4.5806 4.5826 10.4610 10.4610 14.5603 14.5603 15.2314 15.2314 15.2354 15.2372 k = 0.1029 0.1029 0.1029 ( 7848 PWs) bands (ev): -38.6464 -38.6464 -38.5504 -38.5504 -38.5494 -38.5494 -38.5494 -38.5494 -16.3730 -16.3730 -12.3329 -12.3329 -12.3248 -12.3248 -12.3245 -12.3244 -3.7840 -3.7840 -0.8173 -0.8173 -0.7439 -0.7429 -0.7387 -0.7387 1.0351 1.0351 1.0362 1.0369 4.1004 4.1004 4.1177 4.1188 4.1269 4.1269 4.3960 4.3960 4.5726 4.5726 4.5907 4.5927 10.4935 10.4935 14.5461 14.5461 15.2062 15.2062 15.2103 15.2122 k = 0.1103 0.1103 0.1103 ( 7841 PWs) bands (ev): -38.6456 -38.6456 -38.5507 -38.5507 -38.5496 -38.5496 -38.5496 -38.5496 -16.3683 -16.3683 -12.3396 -12.3396 -12.3304 -12.3304 -12.3300 -12.3300 -3.7611 -3.7611 -0.8327 -0.8327 -0.7505 -0.7494 -0.7452 -0.7452 1.0651 1.0651 1.0663 1.0671 4.0736 4.0736 4.0950 4.0950 4.1019 4.1032 4.4094 4.4094 4.5824 4.5824 4.6003 4.6025 10.5261 10.5261 14.5344 14.5344 15.1784 15.1784 15.1826 15.1845 k = 0.1176 0.1176 0.1176 ( 7841 PWs) bands (ev): -38.6448 -38.6448 -38.5510 -38.5510 -38.5498 -38.5498 -38.5498 -38.5498 -16.3632 -16.3632 -12.3465 -12.3465 -12.3363 -12.3363 -12.3359 -12.3359 -3.7370 -3.7370 -0.8486 -0.8486 -0.7576 -0.7565 -0.7523 -0.7523 1.0969 1.0969 1.0983 1.0991 4.0327 4.0327 4.0761 4.0761 4.0867 4.0880 4.4236 4.4236 4.5919 4.5919 4.6097 4.6120 10.5587 10.5587 14.5254 14.5254 15.1481 15.1481 15.1524 15.1543 k = 0.1250 0.1250 0.1250 ( 7835 PWs) bands (ev): -38.6439 -38.6439 -38.5514 -38.5514 -38.5500 -38.5500 -38.5500 -38.5500 -16.3579 -16.3579 -12.3538 -12.3538 -12.3425 -12.3425 -12.3421 -12.3420 -3.7119 -3.7119 -0.8650 -0.8650 -0.7653 -0.7642 -0.7599 -0.7599 1.1305 1.1305 1.1320 1.1329 3.9874 3.9874 4.0607 4.0607 4.0720 4.0735 4.4385 4.4385 4.6011 4.6011 4.6188 4.6211 10.5908 10.5908 14.5193 14.5193 15.1155 15.1155 15.1198 15.1217 k = 0.1324 0.1324 0.1324 ( 7817 PWs) bands (ev): -38.6429 -38.6429 -38.5517 -38.5517 -38.5502 -38.5502 -38.5502 -38.5502 -16.3523 -16.3523 -12.3613 -12.3613 -12.3489 -12.3489 -12.3485 -12.3485 -3.6859 -3.6859 -0.8818 -0.8818 -0.7736 -0.7724 -0.7681 -0.7681 1.1657 1.1657 1.1674 1.1684 3.9402 3.9402 4.0464 4.0464 4.0580 4.0596 4.4543 4.4543 4.6100 4.6100 4.6275 4.6300 10.6219 10.6219 14.5162 14.5162 15.0807 15.0807 15.0851 15.0870 k = 0.1397 0.1397 0.1397 ( 7817 PWs) bands (ev): -38.6419 -38.6419 -38.5521 -38.5521 -38.5504 -38.5504 -38.5504 -38.5504 -16.3465 -16.3465 -12.3691 -12.3691 -12.3556 -12.3556 -12.3553 -12.3552 -3.6591 -3.6591 -0.8988 -0.8988 -0.7824 -0.7812 -0.7769 -0.7769 1.2026 1.2026 1.2045 1.2056 3.8917 3.8917 4.0331 4.0331 4.0448 4.0464 4.4708 4.4708 4.6187 4.6187 4.6361 4.6387 10.6517 10.6517 14.5163 14.5163 15.0438 15.0438 15.0482 15.0501 k = 0.1471 0.1471 0.1471 ( 7817 PWs) bands (ev): -38.6409 -38.6409 -38.5525 -38.5525 -38.5507 -38.5507 -38.5507 -38.5507 -16.3404 -16.3404 -12.3771 -12.3771 -12.3626 -12.3626 -12.3622 -12.3621 -3.6317 -3.6317 -0.9161 -0.9161 -0.7918 -0.7906 -0.7862 -0.7862 1.2411 1.2411 1.2432 1.2443 3.8423 3.8423 4.0207 4.0207 4.0323 4.0340 4.4879 4.4879 4.6272 4.6272 4.6444 4.6471 10.6800 10.6800 14.5196 14.5196 15.0050 15.0050 15.0094 15.0114 k = 0.1544 0.1544 0.1544 ( 7805 PWs) bands (ev): -38.6399 -38.6399 -38.5529 -38.5529 -38.5509 -38.5509 -38.5509 -38.5509 -16.3341 -16.3341 -12.3853 -12.3853 -12.3697 -12.3697 -12.3694 -12.3693 -3.6036 -3.6036 -0.9335 -0.9335 -0.8018 -0.8005 -0.7961 -0.7961 1.2810 1.2810 1.2833 1.2845 3.7921 3.7921 4.0092 4.0092 4.0207 4.0225 4.5058 4.5058 4.6355 4.6355 4.6526 4.6554 10.7062 10.7062 14.5261 14.5261 14.9645 14.9645 14.9689 14.9708 k = 0.1618 0.1618 0.1618 ( 7805 PWs) bands (ev): -38.6388 -38.6388 -38.5533 -38.5533 -38.5512 -38.5512 -38.5512 -38.5512 -16.3277 -16.3277 -12.3936 -12.3936 -12.3771 -12.3771 -12.3767 -12.3767 -3.5751 -3.5751 -0.9509 -0.9509 -0.8123 -0.8110 -0.8066 -0.8066 1.3224 1.3224 1.3248 1.3261 3.7415 3.7415 3.9986 3.9986 4.0100 4.0119 4.5243 4.5243 4.6438 4.6438 4.6607 4.6635 10.7302 10.7302 14.5358 14.5358 14.9222 14.9222 14.9266 14.9285 k = 0.1691 0.1691 0.1691 ( 7787 PWs) bands (ev): -38.6377 -38.6377 -38.5537 -38.5537 -38.5514 -38.5514 -38.5514 -38.5514 -16.3210 -16.3210 -12.4022 -12.4022 -12.3847 -12.3847 -12.3843 -12.3842 -3.5462 -3.5462 -0.9683 -0.9683 -0.8234 -0.8221 -0.8177 -0.8177 1.3650 1.3650 1.3677 1.3691 3.6906 3.6906 3.9890 3.9890 4.0002 4.0022 4.5434 4.5434 4.6519 4.6519 4.6686 4.6716 10.7517 10.7517 14.5485 14.5485 14.8783 14.8783 14.8827 14.8846 k = 0.1765 0.1765 0.1765 ( 7805 PWs) bands (ev): -38.6366 -38.6366 -38.5542 -38.5542 -38.5517 -38.5517 -38.5517 -38.5517 -16.3142 -16.3142 -12.4108 -12.4108 -12.3924 -12.3924 -12.3920 -12.3920 -3.5171 -3.5171 -0.9856 -0.9856 -0.8350 -0.8337 -0.8293 -0.8293 1.4089 1.4089 1.4118 1.4133 3.6397 3.6397 3.9804 3.9804 3.9914 3.9934 4.5630 4.5630 4.6600 4.6600 4.6766 4.6796 10.7705 10.7705 14.5639 14.5639 14.8329 14.8329 14.8372 14.8391 k = 0.1838 0.1838 0.1838 ( 7802 PWs) bands (ev): -38.6354 -38.6354 -38.5546 -38.5546 -38.5520 -38.5520 -38.5520 -38.5520 -16.3072 -16.3072 -12.4196 -12.4196 -12.4003 -12.4003 -12.3999 -12.3998 -3.4880 -3.4880 -1.0027 -1.0027 -0.8471 -0.8458 -0.8414 -0.8414 1.4539 1.4539 1.4570 1.4586 3.5890 3.5890 3.9727 3.9727 3.9836 3.9856 4.5832 4.5832 4.6682 4.6682 4.6846 4.6877 10.7864 10.7864 14.5816 14.5816 14.7861 14.7861 14.7904 14.7923 k = 0.1912 0.1912 0.1912 ( 7799 PWs) bands (ev): -38.6343 -38.6343 -38.5550 -38.5550 -38.5523 -38.5523 -38.5523 -38.5523 -16.3000 -16.3000 -12.4284 -12.4284 -12.4083 -12.4083 -12.4080 -12.4079 -3.4589 -3.4589 -1.0195 -1.0195 -0.8598 -0.8585 -0.8540 -0.8540 1.4999 1.4999 1.5033 1.5049 3.5386 3.5386 3.9662 3.9662 3.9769 3.9789 4.6039 4.6039 4.6764 4.6764 4.6926 4.6958 10.7993 10.7993 14.6012 14.6012 14.7379 14.7379 14.7421 14.7440 k = 0.1985 0.1985 0.1985 ( 7799 PWs) bands (ev): -38.6331 -38.6331 -38.5555 -38.5555 -38.5525 -38.5525 -38.5525 -38.5525 -16.2928 -16.2928 -12.4373 -12.4373 -12.4164 -12.4164 -12.4161 -12.4160 -3.4299 -3.4299 -1.0360 -1.0360 -0.8729 -0.8716 -0.8671 -0.8671 1.5469 1.5469 1.5505 1.5522 3.4889 3.4889 3.9606 3.9606 3.9711 3.9731 4.6251 4.6251 4.6849 4.6849 4.7008 4.7041 10.8092 10.8092 14.6222 14.6222 14.6884 14.6884 14.6926 14.6945 k = 0.2059 0.2059 0.2059 ( 7799 PWs) bands (ev): -38.6319 -38.6319 -38.5559 -38.5559 -38.5528 -38.5528 -38.5528 -38.5528 -16.2854 -16.2854 -12.4462 -12.4462 -12.4247 -12.4247 -12.4243 -12.4242 -3.4012 -3.4012 -1.0520 -1.0520 -0.8865 -0.8852 -0.8807 -0.8807 1.5946 1.5946 1.5985 1.6003 3.4399 3.4399 3.9561 3.9561 3.9664 3.9684 4.6466 4.6466 4.6936 4.6936 4.7092 4.7126 10.8161 10.8161 14.6375 14.6375 14.6418 14.6437 14.6438 14.6438 k = 0.2132 0.2132 0.2132 ( 7811 PWs) bands (ev): -38.6307 -38.6307 -38.5563 -38.5563 -38.5531 -38.5531 -38.5531 -38.5531 -16.2779 -16.2779 -12.4551 -12.4551 -12.4330 -12.4330 -12.4326 -12.4326 -3.3730 -3.3730 -1.0677 -1.0677 -0.9005 -0.8992 -0.8947 -0.8947 1.6430 1.6430 1.6472 1.6490 3.3920 3.3920 3.9526 3.9526 3.9626 3.9647 4.6684 4.6684 4.7026 4.7026 4.7178 4.7213 10.8200 10.8200 14.5858 14.5858 14.5898 14.5918 14.6648 14.6648 k = 0.2206 0.2206 0.2206 ( 7793 PWs) bands (ev): -38.6295 -38.6295 -38.5567 -38.5567 -38.5534 -38.5534 -38.5534 -38.5534 -16.2703 -16.2703 -12.4640 -12.4640 -12.4414 -12.4414 -12.4410 -12.4409 -3.3453 -3.3453 -1.0828 -1.0828 -0.9149 -0.9136 -0.9091 -0.9091 1.6920 1.6920 1.6965 1.6984 3.3452 3.3452 3.9501 3.9501 3.9599 3.9620 4.6903 4.6903 4.7122 4.7122 4.7268 4.7304 10.8209 10.8209 14.5328 14.5328 14.5368 14.5388 14.6845 14.6845 k = 0.2279 0.2279 0.2279 ( 7793 PWs) bands (ev): -38.6283 -38.6283 -38.5572 -38.5572 -38.5537 -38.5537 -38.5537 -38.5537 -16.2627 -16.2627 -12.4728 -12.4728 -12.4498 -12.4498 -12.4494 -12.4493 -3.3182 -3.3182 -1.0975 -1.0975 -0.9296 -0.9283 -0.9238 -0.9238 1.7415 1.7415 1.7462 1.7482 3.2999 3.2999 3.9486 3.9486 3.9582 3.9603 4.7114 4.7114 4.7233 4.7233 4.7361 4.7398 10.8191 10.8191 14.4788 14.4788 14.4827 14.4847 14.7016 14.7016 k = 0.2353 0.2353 0.2353 ( 7799 PWs) bands (ev): -38.6271 -38.6271 -38.5576 -38.5576 -38.5540 -38.5540 -38.5540 -38.5540 -16.2550 -16.2550 -12.4816 -12.4816 -12.4582 -12.4582 -12.4579 -12.4578 -3.2919 -3.2919 -1.1115 -1.1115 -0.9447 -0.9434 -0.9389 -0.9389 1.7913 1.7913 1.7963 1.7984 3.2561 3.2561 3.9481 3.9481 3.9574 3.9595 4.7278 4.7278 4.7398 4.7398 4.7459 4.7497 10.8147 10.8147 14.4238 14.4238 14.4276 14.4296 14.7148 14.7148 k = 0.2426 0.2426 0.2426 ( 7787 PWs) bands (ev): -38.6259 -38.6259 -38.5580 -38.5580 -38.5543 -38.5543 -38.5543 -38.5543 -16.2473 -16.2473 -12.4902 -12.4902 -12.4667 -12.4667 -12.4663 -12.4662 -3.2665 -3.2665 -1.1250 -1.1250 -0.9600 -0.9588 -0.9543 -0.9543 1.8412 1.8412 1.8466 1.8488 3.2140 3.2140 3.9485 3.9485 3.9576 3.9596 4.7398 4.7398 4.7562 4.7601 4.7615 4.7615 10.8078 10.8078 14.3679 14.3679 14.3716 14.3735 14.7226 14.7226 k = 0.2500 0.2500 0.2500 ( 7796 PWs) bands (ev): -38.6248 -38.6248 -38.5584 -38.5584 -38.5546 -38.5546 -38.5546 -38.5546 -16.2396 -16.2396 -12.4988 -12.4988 -12.4751 -12.4751 -12.4748 -12.4747 -3.2421 -3.2421 -1.1379 -1.1379 -0.9757 -0.9744 -0.9700 -0.9700 1.8913 1.8913 1.8970 1.8992 3.1738 3.1738 3.9497 3.9497 3.9586 3.9605 4.7513 4.7513 4.7671 4.7711 4.7843 4.7843 10.7987 10.7987 14.3111 14.3111 14.3147 14.3167 14.7238 14.7238 k = 0.2574 0.2574 0.2574 ( 7796 PWs) bands (ev): -38.6236 -38.6236 -38.5587 -38.5587 -38.5550 -38.5550 -38.5550 -38.5550 -16.2319 -16.2319 -12.5072 -12.5072 -12.4835 -12.4835 -12.4832 -12.4831 -3.2187 -3.2187 -1.1503 -1.1503 -0.9915 -0.9902 -0.9858 -0.9858 1.9413 1.9413 1.9474 1.9496 3.1356 3.1356 3.9518 3.9518 3.9604 3.9623 4.7632 4.7632 4.7786 4.7827 4.8075 4.8075 10.7875 10.7875 14.2535 14.2535 14.2570 14.2590 14.7170 14.7170 k = 0.2647 0.2647 0.2647 ( 7793 PWs) bands (ev): -38.6225 -38.6225 -38.5591 -38.5591 -38.5553 -38.5553 -38.5553 -38.5553 -16.2242 -16.2242 -12.5155 -12.5155 -12.4919 -12.4919 -12.4915 -12.4914 -3.1964 -3.1964 -1.1620 -1.1620 -1.0074 -1.0062 -1.0018 -1.0018 1.9911 1.9911 1.9976 1.9999 3.0995 3.0995 3.9547 3.9547 3.9630 3.9649 4.7757 4.7757 4.7908 4.7949 4.8308 4.8308 10.7745 10.7745 14.1952 14.1952 14.1986 14.2006 14.7010 14.7010 k = 0.2721 0.2721 0.2721 ( 7799 PWs) bands (ev): -38.6213 -38.6213 -38.5595 -38.5595 -38.5556 -38.5556 -38.5556 -38.5556 -16.2165 -16.2165 -12.5236 -12.5236 -12.5001 -12.5001 -12.4998 -12.4997 -3.1753 -3.1753 -1.1731 -1.1731 -1.0235 -1.0223 -1.0179 -1.0179 2.0406 2.0406 2.0474 2.0498 3.0658 3.0658 3.9582 3.9582 3.9663 3.9681 4.7889 4.7889 4.8037 4.8079 4.8543 4.8543 10.7599 10.7599 14.1363 14.1363 14.1396 14.1416 14.6752 14.6752 k = 0.2794 0.2794 0.2794 ( 7805 PWs) bands (ev): -38.6202 -38.6202 -38.5598 -38.5598 -38.5559 -38.5559 -38.5559 -38.5559 -16.2089 -16.2089 -12.5315 -12.5315 -12.5084 -12.5084 -12.5080 -12.5079 -3.1555 -3.1555 -1.1837 -1.1837 -1.0397 -1.0385 -1.0341 -1.0341 2.0896 2.0896 2.0969 2.0993 3.0344 3.0344 3.9624 3.9624 3.9702 3.9719 4.8028 4.8028 4.8174 4.8217 4.8777 4.8777 10.7440 10.7440 14.0769 14.0769 14.0801 14.0821 14.6393 14.6393 k = 0.2868 0.2868 0.2868 ( 7799 PWs) bands (ev): -38.6191 -38.6191 -38.5601 -38.5601 -38.5562 -38.5562 -38.5562 -38.5562 -16.2013 -16.2013 -12.5393 -12.5393 -12.5165 -12.5165 -12.5161 -12.5160 -3.1369 -3.1369 -1.1937 -1.1937 -1.0558 -1.0547 -1.0503 -1.0503 2.1381 2.1381 2.1458 2.1482 3.0055 3.0055 3.9672 3.9672 3.9747 3.9763 4.8176 4.8176 4.8319 4.8363 4.9010 4.9010 10.7269 10.7269 14.0170 14.0170 14.0201 14.0221 14.5935 14.5935 k = 0.2941 0.2941 0.2941 ( 7799 PWs) bands (ev): -38.6181 -38.6181 -38.5604 -38.5604 -38.5565 -38.5565 -38.5565 -38.5565 -16.1939 -16.1939 -12.5468 -12.5468 -12.5245 -12.5245 -12.5241 -12.5240 -3.1196 -3.1196 -1.2033 -1.2033 -1.0720 -1.0709 -1.0665 -1.0665 2.1859 2.1859 2.1940 2.1964 2.9791 2.9791 3.9724 3.9724 3.9797 3.9812 4.8332 4.8332 4.8473 4.8517 4.9242 4.9242 10.7089 10.7089 13.9568 13.9568 13.9599 13.9618 14.5386 14.5386 k = 0.3015 0.3015 0.3015 ( 7787 PWs) bands (ev): -38.6171 -38.6171 -38.5606 -38.5606 -38.5568 -38.5568 -38.5568 -38.5568 -16.1865 -16.1865 -12.5541 -12.5541 -12.5323 -12.5323 -12.5320 -12.5319 -3.1037 -3.1037 -1.2123 -1.2123 -1.0880 -1.0870 -1.0826 -1.0826 2.2328 2.2328 2.2414 2.2438 2.9553 2.9553 3.9781 3.9781 3.9851 3.9864 4.8496 4.8496 4.8636 4.8680 4.9472 4.9472 10.6901 10.6901 13.8964 13.8964 13.8994 13.9013 14.4754 14.4754 k = 0.3088 0.3088 0.3088 ( 7787 PWs) bands (ev): -38.6161 -38.6161 -38.5609 -38.5609 -38.5570 -38.5570 -38.5570 -38.5570 -16.1793 -16.1793 -12.5611 -12.5611 -12.5400 -12.5400 -12.5397 -12.5396 -3.0891 -3.0891 -1.2210 -1.2210 -1.1040 -1.1029 -1.0986 -1.0986 2.2788 2.2788 2.2879 2.2903 2.9340 2.9340 3.9841 3.9841 3.9907 3.9920 4.8669 4.8669 4.8807 4.8852 4.9700 4.9700 10.6709 10.6709 13.8360 13.8360 13.8388 13.8407 14.4052 14.4052 k = 0.3162 0.3162 0.3162 ( 7790 PWs) bands (ev): -38.6151 -38.6151 -38.5611 -38.5611 -38.5573 -38.5573 -38.5573 -38.5573 -16.1722 -16.1722 -12.5680 -12.5680 -12.5476 -12.5476 -12.5472 -12.5472 -3.0757 -3.0757 -1.2292 -1.2292 -1.1198 -1.1188 -1.1144 -1.1144 2.3238 2.3238 2.3334 2.3358 2.9154 2.9154 3.9903 3.9903 3.9967 3.9978 4.8851 4.8851 4.8987 4.9032 4.9925 4.9925 10.6513 10.6513 13.7756 13.7756 13.7783 13.7801 14.3293 14.3293 k = 0.3235 0.3235 0.3235 ( 7790 PWs) bands (ev): -38.6142 -38.6142 -38.5613 -38.5613 -38.5576 -38.5576 -38.5576 -38.5576 -16.1653 -16.1653 -12.5745 -12.5745 -12.5550 -12.5550 -12.5546 -12.5545 -3.0637 -3.0637 -1.2371 -1.2371 -1.1354 -1.1344 -1.1301 -1.1301 2.3676 2.3676 2.3777 2.3801 2.8993 2.8993 3.9968 3.9968 4.0028 4.0039 4.9041 4.9041 4.9175 4.9220 5.0146 5.0146 10.6315 10.6315 13.7154 13.7154 13.7180 13.7198 14.2487 14.2487 k = 0.3309 0.3309 0.3309 ( 7784 PWs) bands (ev): -38.6133 -38.6133 -38.5614 -38.5614 -38.5579 -38.5579 -38.5579 -38.5579 -16.1585 -16.1585 -12.5808 -12.5808 -12.5621 -12.5621 -12.5618 -12.5617 -3.0528 -3.0528 -1.2447 -1.2447 -1.1507 -1.1497 -1.1454 -1.1454 2.4101 2.4101 2.4207 2.4231 2.8858 2.8858 4.0033 4.0033 4.0091 4.0100 4.9239 4.9239 4.9371 4.9417 5.0363 5.0363 10.6118 10.6118 13.6555 13.6555 13.6581 13.6598 14.1647 14.1647 k = 0.3382 0.3382 0.3382 ( 7802 PWs) bands (ev): -38.6125 -38.6125 -38.5616 -38.5616 -38.5581 -38.5581 -38.5581 -38.5581 -16.1519 -16.1519 -12.5869 -12.5869 -12.5691 -12.5691 -12.5688 -12.5687 -3.0432 -3.0432 -1.2520 -1.2520 -1.1657 -1.1648 -1.1605 -1.1605 2.4513 2.4513 2.4625 2.4648 2.8747 2.8747 4.0099 4.0099 4.0154 4.0162 4.9445 4.9445 4.9575 4.9620 5.0576 5.0576 10.5922 10.5922 13.5962 13.5962 13.5987 13.6003 14.0783 14.0783 k = 0.3456 0.3456 0.3456 ( 7796 PWs) bands (ev): -38.6117 -38.6117 -38.5617 -38.5617 -38.5584 -38.5584 -38.5584 -38.5584 -16.1455 -16.1455 -12.5927 -12.5927 -12.5759 -12.5759 -12.5756 -12.5755 -3.0347 -3.0347 -1.2591 -1.2591 -1.1804 -1.1795 -1.1752 -1.1752 2.4910 2.4910 2.5028 2.5050 2.8660 2.8660 4.0165 4.0165 4.0216 4.0224 4.9657 4.9657 4.9786 4.9831 5.0784 5.0784 10.5729 10.5729 13.5376 13.5376 13.5399 13.5416 13.9905 13.9905 k = 0.3529 0.3529 0.3529 ( 7799 PWs) bands (ev): -38.6110 -38.6110 -38.5618 -38.5618 -38.5586 -38.5586 -38.5586 -38.5586 -16.1393 -16.1393 -12.5982 -12.5982 -12.5824 -12.5824 -12.5821 -12.5820 -3.0273 -3.0273 -1.2660 -1.2660 -1.1947 -1.1938 -1.1896 -1.1896 2.5292 2.5292 2.5416 2.5438 2.8596 2.8596 4.0231 4.0231 4.0278 4.0285 4.9875 4.9875 5.0003 5.0047 5.0987 5.0987 10.5540 10.5540 13.4798 13.4798 13.4821 13.4837 13.9020 13.9020 k = 0.3603 0.3603 0.3603 ( 7796 PWs) bands (ev): -38.6103 -38.6103 -38.5619 -38.5619 -38.5589 -38.5589 -38.5589 -38.5589 -16.1334 -16.1334 -12.6034 -12.6034 -12.5887 -12.5887 -12.5884 -12.5883 -3.0208 -3.0208 -1.2726 -1.2726 -1.2085 -1.2077 -1.2035 -1.2035 2.5659 2.5659 2.5788 2.5809 2.8553 2.8553 4.0295 4.0295 4.0339 4.0344 5.0098 5.0098 5.0225 5.0268 5.1183 5.1183 10.5357 10.5357 13.4231 13.4231 13.4253 13.4268 13.8137 13.8137 k = 0.3676 0.3676 0.3676 ( 7805 PWs) bands (ev): -38.6097 -38.6097 -38.5619 -38.5619 -38.5591 -38.5591 -38.5591 -38.5591 -16.1276 -16.1276 -12.6083 -12.6083 -12.5948 -12.5948 -12.5944 -12.5944 -3.0153 -3.0153 -1.2791 -1.2791 -1.2219 -1.2212 -1.2169 -1.2169 2.6008 2.6008 2.6144 2.6164 2.8530 2.8530 4.0357 4.0357 4.0399 4.0403 5.0324 5.0324 5.0450 5.0493 5.1373 5.1373 10.5180 10.5180 13.3677 13.3677 13.3698 13.3712 13.7262 13.7262 k = 0.3750 0.3750 0.3750 ( 7808 PWs) bands (ev): -38.6091 -38.6091 -38.5619 -38.5619 -38.5593 -38.5593 -38.5593 -38.5593 -16.1221 -16.1221 -12.6130 -12.6130 -12.6006 -12.6006 -12.6002 -12.6002 -3.0107 -3.0107 -1.2854 -1.2854 -1.2348 -1.2341 -1.2298 -1.2298 2.6340 2.6340 2.6482 2.6502 2.8525 2.8525 4.0418 4.0418 4.0456 4.0459 5.0552 5.0552 5.0678 5.0719 5.1555 5.1555 10.5010 10.5010 13.3137 13.3137 13.3158 13.3171 13.6401 13.6401 k = 0.3824 0.3824 0.3824 ( 7811 PWs) bands (ev): -38.6085 -38.6085 -38.5620 -38.5620 -38.5596 -38.5596 -38.5596 -38.5596 -16.1169 -16.1169 -12.6174 -12.6174 -12.6061 -12.6061 -12.6057 -12.6057 -3.0068 -3.0068 -1.2915 -1.2915 -1.2472 -1.2465 -1.2422 -1.2422 2.6655 2.6655 2.6803 2.6822 2.8537 2.8537 4.0476 4.0476 4.0511 4.0513 5.0781 5.0781 5.0906 5.0946 5.1731 5.1731 10.4849 10.4849 13.2613 13.2613 13.2634 13.2646 13.5560 13.5560 k = 0.3897 0.3897 0.3897 ( 7823 PWs) bands (ev): -38.6080 -38.6080 -38.5619 -38.5619 -38.5598 -38.5598 -38.5598 -38.5598 -16.1119 -16.1119 -12.6215 -12.6215 -12.6113 -12.6113 -12.6110 -12.6109 -3.0036 -3.0036 -1.2974 -1.2974 -1.2589 -1.2583 -1.2540 -1.2540 2.6951 2.6951 2.7106 2.7124 2.8563 2.8563 4.0532 4.0532 4.0563 4.0565 5.1008 5.1008 5.1134 5.1172 5.1898 5.1898 10.4696 10.4696 13.2109 13.2109 13.2128 13.2140 13.4743 13.4743 k = 0.3971 0.3971 0.3971 ( 7811 PWs) bands (ev): -38.6075 -38.6075 -38.5619 -38.5619 -38.5599 -38.5599 -38.5599 -38.5599 -16.1072 -16.1072 -12.6253 -12.6253 -12.6162 -12.6162 -12.6159 -12.6158 -3.0011 -3.0011 -1.3031 -1.3031 -1.2701 -1.2695 -1.2652 -1.2652 2.7228 2.7228 2.7391 2.7408 2.8601 2.8601 4.0585 4.0585 4.0612 4.0614 5.1233 5.1233 5.1358 5.1395 5.2057 5.2057 10.4553 10.4553 13.1624 13.1624 13.1643 13.1654 13.3956 13.3956 k = 0.4044 0.4044 0.4044 ( 7805 PWs) bands (ev): -38.6071 -38.6071 -38.5619 -38.5619 -38.5601 -38.5601 -38.5601 -38.5601 -16.1028 -16.1028 -12.6288 -12.6288 -12.6209 -12.6209 -12.6205 -12.6205 -2.9991 -2.9991 -1.3086 -1.3086 -1.2807 -1.2801 -1.2757 -1.2757 2.7487 2.7487 2.7657 2.7672 2.8650 2.8650 4.0634 4.0634 4.0659 4.0660 5.1452 5.1452 5.1579 5.1614 5.2208 5.2208 10.4419 10.4419 13.1162 13.1162 13.1181 13.1191 13.3203 13.3203 k = 0.4118 0.4118 0.4118 ( 7787 PWs) bands (ev): -38.6067 -38.6067 -38.5618 -38.5618 -38.5603 -38.5603 -38.5603 -38.5603 -16.0987 -16.0987 -12.6321 -12.6321 -12.6252 -12.6252 -12.6248 -12.6248 -2.9976 -2.9976 -1.3139 -1.3139 -1.2905 -1.2900 -1.2856 -1.2856 2.7725 2.7725 2.7904 2.7918 2.8708 2.8708 4.0681 4.0681 4.0702 4.0703 5.1665 5.1665 5.1793 5.1826 5.2349 5.2349 10.4295 10.4295 13.0725 13.0725 13.0743 13.0753 13.2488 13.2488 k = 0.4191 0.4191 0.4191 ( 7787 PWs) bands (ev): -38.6063 -38.6063 -38.5618 -38.5618 -38.5604 -38.5604 -38.5604 -38.5604 -16.0949 -16.0949 -12.6351 -12.6351 -12.6292 -12.6292 -12.6288 -12.6288 -2.9965 -2.9965 -1.3189 -1.3189 -1.2997 -1.2992 -1.2948 -1.2948 2.7945 2.7945 2.8131 2.8145 2.8772 2.8772 4.0724 4.0724 4.0742 4.0742 5.1870 5.1870 5.1998 5.2029 5.2481 5.2481 10.4182 10.4182 13.0315 13.0315 13.0332 13.0341 13.1815 13.1815 k = 0.4265 0.4265 0.4265 ( 7784 PWs) bands (ev): -38.6060 -38.6060 -38.5617 -38.5617 -38.5606 -38.5606 -38.5606 -38.5606 -16.0914 -16.0914 -12.6378 -12.6378 -12.6329 -12.6329 -12.6325 -12.6325 -2.9957 -2.9957 -1.3236 -1.3236 -1.3082 -1.3077 -1.3032 -1.3032 2.8144 2.8144 2.8339 2.8352 2.8840 2.8840 4.0763 4.0763 4.0779 4.0779 5.2063 5.2063 5.2194 5.2222 5.2603 5.2603 10.4079 10.4079 12.9932 12.9932 12.9949 12.9958 13.1187 13.1187 k = 0.4338 0.4338 0.4338 ( 7790 PWs) bands (ev): -38.6057 -38.6057 -38.5616 -38.5616 -38.5607 -38.5607 -38.5607 -38.5607 -16.0882 -16.0882 -12.6402 -12.6402 -12.6362 -12.6362 -12.6359 -12.6358 -2.9952 -2.9952 -1.3280 -1.3280 -1.3159 -1.3155 -1.3109 -1.3109 2.8322 2.8322 2.8528 2.8539 2.8911 2.8911 4.0799 4.0799 4.0812 4.0812 5.2244 5.2244 5.2378 5.2404 5.2715 5.2715 10.3986 10.3986 12.9580 12.9580 12.9597 12.9604 13.0609 13.0609 k = 0.4412 0.4412 0.4412 ( 7790 PWs) bands (ev): -38.6055 -38.6055 -38.5616 -38.5616 -38.5608 -38.5608 -38.5608 -38.5608 -16.0853 -16.0853 -12.6424 -12.6424 -12.6392 -12.6392 -12.6389 -12.6388 -2.9949 -2.9949 -1.3321 -1.3321 -1.3228 -1.3225 -1.3178 -1.3178 2.8480 2.8480 2.8697 2.8707 2.8982 2.8982 4.0832 4.0832 4.0842 4.0842 5.2410 5.2410 5.2548 5.2571 5.2818 5.2818 10.3904 10.3904 12.9260 12.9260 12.9277 12.9283 13.0082 13.0082 k = 0.4485 0.4485 0.4485 ( 7790 PWs) bands (ev): -38.6053 -38.6053 -38.5615 -38.5615 -38.5609 -38.5609 -38.5609 -38.5609 -16.0827 -16.0827 -12.6443 -12.6443 -12.6419 -12.6419 -12.6415 -12.6415 -2.9948 -2.9948 -1.3358 -1.3358 -1.3290 -1.3287 -1.3238 -1.3238 2.8618 2.8618 2.8847 2.8855 2.9052 2.9052 4.0860 4.0860 4.0868 4.0869 5.2560 5.2560 5.2702 5.2723 5.2910 5.2910 10.3832 10.3832 12.8974 12.8974 12.8990 12.8996 12.9610 12.9610 k = 0.4559 0.4559 0.4559 ( 7778 PWs) bands (ev): -38.6051 -38.6051 -38.5615 -38.5615 -38.5610 -38.5610 -38.5610 -38.5610 -16.0805 -16.0805 -12.6460 -12.6460 -12.6442 -12.6442 -12.6438 -12.6438 -2.9948 -2.9948 -1.3392 -1.3392 -1.3344 -1.3341 -1.3291 -1.3291 2.8735 2.8735 2.8976 2.8984 2.9118 2.9118 4.0885 4.0885 4.0891 4.0891 5.2692 5.2692 5.2840 5.2858 5.2992 5.2992 10.3771 10.3771 12.8722 12.8722 12.8739 12.8744 12.9195 12.9195 k = 0.4632 0.4632 0.4632 ( 7760 PWs) bands (ev): -38.6049 -38.6049 -38.5614 -38.5614 -38.5611 -38.5611 -38.5611 -38.5611 -16.0786 -16.0786 -12.6474 -12.6474 -12.6461 -12.6461 -12.6458 -12.6458 -2.9948 -2.9948 -1.3421 -1.3421 -1.3390 -1.3388 -1.3335 -1.3335 2.8831 2.8831 2.9086 2.9092 2.9179 2.9179 4.0906 4.0906 4.0910 4.0911 5.2804 5.2804 5.2959 5.2974 5.3064 5.3064 10.3719 10.3719 12.8507 12.8507 12.8524 12.8528 12.8840 12.8840 k = 0.4706 0.4706 0.4706 ( 7760 PWs) bands (ev): -38.6048 -38.6048 -38.5614 -38.5614 -38.5612 -38.5612 -38.5612 -38.5612 -16.0771 -16.0771 -12.6486 -12.6486 -12.6477 -12.6477 -12.6474 -12.6474 -2.9949 -2.9949 -1.3446 -1.3446 -1.3427 -1.3426 -1.3370 -1.3370 2.8909 2.8909 2.9176 2.9181 2.9233 2.9233 4.0924 4.0924 4.0926 4.0927 5.2895 5.2895 5.3058 5.3070 5.3125 5.3125 10.3677 10.3677 12.8329 12.8329 12.8346 12.8349 12.8547 12.8547 k = 0.4779 0.4779 0.4779 ( 7766 PWs) bands (ev): -38.6047 -38.6047 -38.5613 -38.5613 -38.5612 -38.5612 -38.5612 -38.5612 -16.0759 -16.0759 -12.6495 -12.6495 -12.6489 -12.6489 -12.6487 -12.6487 -2.9950 -2.9950 -1.3466 -1.3466 -1.3457 -1.3455 -1.3397 -1.3397 2.8968 2.8968 2.9246 2.9250 2.9277 2.9277 4.0937 4.0937 4.0938 4.0939 5.2965 5.2965 5.3137 5.3146 5.3175 5.3175 10.3645 10.3645 12.8190 12.8190 12.8207 12.8209 12.8318 12.8318 k = 0.4853 0.4853 0.4853 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0750 -16.0750 -12.6502 -12.6502 -12.6497 -12.6497 -12.6496 -12.6496 -2.9951 -2.9951 -1.3482 -1.3482 -1.3477 -1.3477 -1.3416 -1.3416 2.9010 2.9010 2.9296 2.9299 2.9310 2.9310 4.0947 4.0947 4.0947 4.0948 5.3014 5.3014 5.3194 5.3201 5.3212 5.3212 10.3622 10.3622 12.8089 12.8089 12.8107 12.8109 12.8154 12.8154 k = 0.4926 0.4926 0.4926 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0745 -16.0745 -12.6507 -12.6507 -12.6502 -12.6502 -12.6501 -12.6501 -2.9952 -2.9952 -1.3491 -1.3491 -1.3490 -1.3490 -1.3427 -1.3427 2.9034 2.9034 2.9327 2.9328 2.9330 2.9330 4.0953 4.0953 4.0953 4.0953 5.3043 5.3043 5.3230 5.3233 5.3235 5.3235 10.3608 10.3608 12.8025 12.8025 12.8047 12.8048 12.8058 12.8058 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0743 -16.0743 -12.6509 -12.6509 -12.6503 -12.6503 -12.6503 -12.6503 -2.9952 -2.9952 -1.3494 -1.3494 -1.3494 -1.3494 -1.3431 -1.3431 2.9043 2.9043 2.9337 2.9337 2.9337 2.9337 4.0954 4.0954 4.0954 4.0954 5.3053 5.3053 5.3243 5.3243 5.3243 5.3243 10.3603 10.3603 12.8002 12.8002 12.8028 12.8028 12.8028 12.8028 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0743 -16.0743 -12.6509 -12.6509 -12.6503 -12.6503 -12.6503 -12.6503 -2.9952 -2.9952 -1.3494 -1.3494 -1.3494 -1.3494 -1.3431 -1.3431 2.9043 2.9043 2.9337 2.9337 2.9337 2.9337 4.0954 4.0954 4.0954 4.0954 5.3053 5.3053 5.3243 5.3243 5.3243 5.3243 10.3603 10.3603 12.8002 12.8002 12.8028 12.8028 12.8028 12.8028 k = 0.4911 0.5000 0.4911 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0745 -16.0745 -12.6507 -12.6507 -12.6502 -12.6502 -12.6501 -12.6501 -2.9952 -2.9952 -1.3491 -1.3491 -1.3490 -1.3489 -1.3427 -1.3427 2.9034 2.9035 2.9326 2.9327 2.9331 2.9332 4.0952 4.0952 4.0953 4.0954 5.3043 5.3043 5.3229 5.3231 5.3236 5.3238 10.3608 10.3608 12.8024 12.8024 12.8049 12.8049 12.8056 12.8057 k = 0.4821 0.5000 0.4821 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5612 -38.5612 -16.0750 -16.0750 -12.6505 -12.6505 -12.6497 -12.6497 -12.6494 -12.6494 -2.9951 -2.9951 -1.3484 -1.3484 -1.3476 -1.3475 -1.3416 -1.3416 2.9009 2.9010 2.9293 2.9295 2.9314 2.9316 4.0944 4.0944 4.0950 4.0951 5.3013 5.3014 5.3190 5.3194 5.3219 5.3221 10.3621 10.3621 12.8076 12.8077 12.8125 12.8129 12.8139 12.8145 k = 0.4732 0.5000 0.4732 ( 7766 PWs) bands (ev): -38.6047 -38.6047 -38.5613 -38.5613 -38.5613 -38.5613 -38.5612 -38.5612 -16.0759 -16.0759 -12.6504 -12.6504 -12.6487 -12.6487 -12.6481 -12.6481 -2.9950 -2.9950 -1.3472 -1.3471 -1.3455 -1.3453 -1.3397 -1.3395 2.8966 2.8968 2.9241 2.9242 2.9286 2.9292 4.0930 4.0931 4.0945 4.0946 5.2957 5.2959 5.3131 5.3137 5.3192 5.3195 10.3644 10.3644 12.8153 12.8154 12.8259 12.8270 12.8280 12.8294 k = 0.4643 0.5000 0.4643 ( 7754 PWs) bands (ev): -38.6048 -38.6048 -38.5613 -38.5613 -38.5613 -38.5613 -38.5611 -38.5611 -16.0771 -16.0771 -12.6503 -12.6503 -12.6473 -12.6472 -12.6463 -12.6463 -2.9949 -2.9949 -1.3457 -1.3455 -1.3426 -1.3423 -1.3366 -1.3363 2.8902 2.8906 2.9170 2.9170 2.9249 2.9259 4.0912 4.0912 4.0938 4.0938 5.2870 5.2874 5.3056 5.3064 5.3159 5.3162 10.3675 10.3676 12.8258 12.8260 12.8443 12.8456 12.8489 12.8505 k = 0.4554 0.5000 0.4554 ( 7770 PWs) bands (ev): -38.6049 -38.6049 -38.5613 -38.5613 -38.5613 -38.5613 -38.5610 -38.5610 -16.0786 -16.0786 -12.6502 -12.6501 -12.6454 -12.6454 -12.6440 -12.6440 -2.9948 -2.9948 -1.3439 -1.3435 -1.3392 -1.3388 -1.3325 -1.3320 2.8814 2.8821 2.9082 2.9085 2.9204 2.9221 4.0888 4.0888 4.0927 4.0928 5.2746 5.2753 5.2971 5.2980 5.3119 5.3123 10.3716 10.3716 12.8393 12.8395 12.8674 12.8687 12.8763 12.8779 k = 0.4464 0.5000 0.4464 ( 7766 PWs) bands (ev): -38.6051 -38.6051 -38.5614 -38.5614 -38.5612 -38.5612 -38.5609 -38.5609 -16.0804 -16.0804 -12.6500 -12.6500 -12.6432 -12.6431 -12.6413 -12.6412 -2.9947 -2.9947 -1.3418 -1.3413 -1.3352 -1.3347 -1.3270 -1.3264 2.8702 2.8710 2.8979 2.8987 2.9152 2.9177 4.0858 4.0859 4.0913 4.0914 5.2588 5.2597 5.2876 5.2886 5.3075 5.3078 10.3766 10.3767 12.8556 12.8559 12.8949 12.8962 12.9100 12.9116 k = 0.4375 0.5000 0.4375 ( 7774 PWs) bands (ev): -38.6053 -38.6053 -38.5614 -38.5614 -38.5612 -38.5612 -38.5607 -38.5607 -16.0826 -16.0826 -12.6498 -12.6498 -12.6405 -12.6405 -12.6380 -12.6379 -2.9946 -2.9946 -1.3395 -1.3388 -1.3306 -1.3301 -1.3204 -1.3197 2.8564 2.8572 2.8865 2.8880 2.9095 2.9129 4.0824 4.0824 4.0895 4.0896 5.2397 5.2409 5.2770 5.2781 5.3026 5.3029 10.3826 10.3827 12.8747 12.8750 12.9265 12.9278 12.9500 12.9516 k = 0.4286 0.5000 0.4286 ( 7794 PWs) bands (ev): -38.6055 -38.6055 -38.5615 -38.5615 -38.5612 -38.5612 -38.5606 -38.5606 -16.0850 -16.0850 -12.6497 -12.6496 -12.6374 -12.6374 -12.6342 -12.6342 -2.9946 -2.9946 -1.3369 -1.3361 -1.3253 -1.3248 -1.3127 -1.3118 2.8400 2.8406 2.8741 2.8764 2.9034 2.9076 4.0784 4.0785 4.0872 4.0873 5.2177 5.2192 5.2653 5.2666 5.2973 5.2974 10.3895 10.3896 12.8965 12.8969 12.9618 12.9631 12.9963 12.9979 k = 0.4196 0.5000 0.4196 ( 7790 PWs) bands (ev): -38.6057 -38.6057 -38.5616 -38.5616 -38.5611 -38.5611 -38.5604 -38.5604 -16.0878 -16.0878 -12.6495 -12.6494 -12.6339 -12.6339 -12.6299 -12.6299 -2.9947 -2.9947 -1.3342 -1.3332 -1.3194 -1.3189 -1.3039 -1.3029 2.8212 2.8216 2.8608 2.8640 2.8970 2.9019 4.0740 4.0740 4.0844 4.0845 5.1931 5.1947 5.2527 5.2542 5.2914 5.2915 10.3974 10.3976 12.9210 12.9215 13.0006 13.0018 13.0488 13.0503 k = 0.4107 0.5000 0.4107 ( 7786 PWs) bands (ev): -38.6059 -38.6059 -38.5617 -38.5617 -38.5611 -38.5611 -38.5602 -38.5602 -16.0909 -16.0909 -12.6493 -12.6492 -12.6301 -12.6300 -12.6252 -12.6252 -2.9950 -2.9950 -1.3313 -1.3302 -1.3128 -1.3123 -1.2941 -1.2931 2.8000 2.8003 2.8467 2.8507 2.8901 2.8959 4.0691 4.0691 4.0809 4.0811 5.1659 5.1677 5.2393 5.2409 5.2850 5.2851 10.4064 10.4067 12.9481 12.9487 13.0425 13.0437 13.1073 13.1088 k = 0.4018 0.5000 0.4018 ( 7786 PWs) bands (ev): -38.6062 -38.6062 -38.5618 -38.5618 -38.5610 -38.5610 -38.5600 -38.5600 -16.0942 -16.0942 -12.6491 -12.6490 -12.6258 -12.6257 -12.6201 -12.6200 -2.9954 -2.9954 -1.3282 -1.3270 -1.3057 -1.3051 -1.2834 -1.2823 2.7767 2.7768 2.8318 2.8366 2.8830 2.8895 4.0636 4.0637 4.0768 4.0770 5.1365 5.1385 5.2251 5.2269 5.2782 5.2783 10.4165 10.4168 12.9777 12.9784 13.0872 13.0884 13.1717 13.1732 k = 0.3929 0.5000 0.3929 ( 7806 PWs) bands (ev): -38.6066 -38.6066 -38.5619 -38.5619 -38.5609 -38.5609 -38.5598 -38.5598 -16.0979 -16.0979 -12.6489 -12.6488 -12.6211 -12.6210 -12.6145 -12.6144 -2.9961 -2.9960 -1.3251 -1.3237 -1.2978 -1.2973 -1.2718 -1.2706 2.7515 2.7515 2.8164 2.8218 2.8756 2.8828 4.0578 4.0578 4.0719 4.0721 5.1049 5.1071 5.2105 5.2123 5.2710 5.2711 10.4277 10.4281 13.0097 13.0104 13.1345 13.1355 13.2418 13.2432 k = 0.3839 0.5000 0.3839 ( 7804 PWs) bands (ev): -38.6069 -38.6069 -38.5620 -38.5620 -38.5608 -38.5608 -38.5595 -38.5595 -16.1018 -16.1018 -12.6488 -12.6487 -12.6160 -12.6159 -12.6084 -12.6084 -2.9970 -2.9970 -1.3218 -1.3203 -1.2894 -1.2888 -1.2594 -1.2580 2.7243 2.7245 2.8005 2.8065 2.8680 2.8758 4.0515 4.0516 4.0661 4.0664 5.0715 5.0739 5.1954 5.1974 5.2634 5.2634 10.4401 10.4405 13.0440 13.0448 13.1839 13.1849 13.3174 13.3187 k = 0.3750 0.5000 0.3750 ( 7808 PWs) bands (ev): -38.6073 -38.6073 -38.5622 -38.5622 -38.5606 -38.5606 -38.5592 -38.5592 -16.1059 -16.1059 -12.6486 -12.6485 -12.6105 -12.6104 -12.6020 -12.6020 -2.9982 -2.9982 -1.3186 -1.3169 -1.2803 -1.2797 -1.2461 -1.2447 2.6956 2.6959 2.7842 2.7908 2.8602 2.8685 4.0448 4.0449 4.0594 4.0597 5.0365 5.0390 5.1801 5.1822 5.2554 5.2555 10.4536 10.4542 13.0806 13.0815 13.2351 13.2361 13.3981 13.3993 k = 0.3661 0.5000 0.3661 ( 7812 PWs) bands (ev): -38.6077 -38.6077 -38.5623 -38.5623 -38.5605 -38.5605 -38.5590 -38.5590 -16.1103 -16.1103 -12.6485 -12.6484 -12.6046 -12.6045 -12.5952 -12.5952 -2.9998 -2.9998 -1.3153 -1.3135 -1.2706 -1.2701 -1.2322 -1.2306 2.6653 2.6657 2.7678 2.7749 2.8522 2.8611 4.0378 4.0379 4.0517 4.0520 4.9999 5.0026 5.1647 5.1669 5.2472 5.2472 10.4685 10.4691 13.1193 13.1202 13.2880 13.2889 13.4838 13.4849 k = 0.3571 0.5000 0.3571 ( 7826 PWs) bands (ev): -38.6081 -38.6081 -38.5625 -38.5625 -38.5603 -38.5603 -38.5587 -38.5587 -16.1150 -16.1150 -12.6484 -12.6483 -12.5983 -12.5983 -12.5880 -12.5880 -3.0018 -3.0018 -1.3120 -1.3100 -1.2604 -1.2598 -1.2175 -1.2158 2.6337 2.6342 2.7513 2.7589 2.8440 2.8535 4.0305 4.0306 4.0430 4.0433 4.9622 4.9649 5.1493 5.1517 5.2387 5.2387 10.4846 10.4854 13.1600 13.1611 13.3421 13.3429 13.5740 13.5750 k = 0.3482 0.5000 0.3482 ( 7818 PWs) bands (ev): -38.6086 -38.6086 -38.5627 -38.5627 -38.5600 -38.5600 -38.5584 -38.5584 -16.1198 -16.1198 -12.6484 -12.6483 -12.5917 -12.5916 -12.5805 -12.5805 -3.0043 -3.0042 -1.3088 -1.3067 -1.2496 -1.2490 -1.2023 -1.2005 2.6008 2.6014 2.7350 2.7430 2.8358 2.8457 4.0229 4.0230 4.0331 4.0334 4.9233 4.9262 5.1341 5.1366 5.2299 5.2300 10.5020 10.5029 13.2027 13.2039 13.3971 13.3979 13.6686 13.6695 k = 0.3393 0.5000 0.3393 ( 7816 PWs) bands (ev): -38.6090 -38.6090 -38.5629 -38.5629 -38.5598 -38.5598 -38.5580 -38.5580 -16.1248 -16.1248 -12.6484 -12.6483 -12.5846 -12.5846 -12.5727 -12.5726 -3.0072 -3.0072 -1.3057 -1.3034 -1.2382 -1.2376 -1.1865 -1.1845 2.5668 2.5675 2.7190 2.7274 2.8276 2.8379 4.0151 4.0151 4.0221 4.0223 4.8837 4.8867 5.1192 5.1218 5.2210 5.2211 10.5208 10.5218 13.2473 13.2485 13.4528 13.4536 13.7671 13.7679 k = 0.3304 0.5000 0.3304 ( 7812 PWs) bands (ev): -38.6095 -38.6095 -38.5631 -38.5631 -38.5595 -38.5595 -38.5577 -38.5577 -16.1300 -16.1300 -12.6484 -12.6483 -12.5773 -12.5772 -12.5645 -12.5645 -3.0107 -3.0106 -1.3027 -1.3002 -1.2263 -1.2257 -1.1702 -1.1682 2.5319 2.5326 2.7034 2.7122 2.8193 2.8301 4.0064 4.0069 4.0102 4.0105 4.8435 4.8465 5.1047 5.1073 5.2120 5.2121 10.5409 10.5421 13.2937 13.2951 13.5089 13.5096 13.8692 13.8699 k = 0.3214 0.5000 0.3214 ( 7808 PWs) bands (ev): -38.6101 -38.6101 -38.5634 -38.5634 -38.5593 -38.5593 -38.5573 -38.5573 -16.1354 -16.1354 -12.6485 -12.6484 -12.5696 -12.5695 -12.5561 -12.5561 -3.0148 -3.0147 -1.2997 -1.2971 -1.2139 -1.2133 -1.1535 -1.1514 2.4960 2.4968 2.6884 2.6975 2.8111 2.8222 3.9945 3.9954 4.0000 4.0006 4.8030 4.8060 5.0907 5.0934 5.2030 5.2031 10.5624 10.5637 13.3419 13.3433 13.5651 13.5657 13.9747 13.9752 k = 0.3125 0.5000 0.3125 ( 7824 PWs) bands (ev): -38.6106 -38.6106 -38.5636 -38.5636 -38.5590 -38.5590 -38.5570 -38.5570 -16.1409 -16.1409 -12.6486 -12.6485 -12.5616 -12.5615 -12.5474 -12.5474 -3.0195 -3.0194 -1.2969 -1.2942 -1.2011 -1.2004 -1.1365 -1.1342 2.4594 2.4602 2.6741 2.6834 2.8030 2.8144 3.9797 3.9804 3.9918 3.9923 4.7623 4.7654 5.0772 5.0800 5.1939 5.1940 10.5852 10.5866 13.3917 13.3932 13.6210 13.6216 14.0830 14.0835 k = 0.3036 0.5000 0.3036 ( 7826 PWs) bands (ev): -38.6112 -38.6112 -38.5639 -38.5639 -38.5586 -38.5586 -38.5566 -38.5566 -16.1465 -16.1465 -12.6488 -12.6487 -12.5532 -12.5532 -12.5385 -12.5385 -3.0248 -3.0247 -1.2942 -1.2914 -1.1878 -1.1871 -1.1193 -1.1169 2.4221 2.4229 2.6607 2.6702 2.7949 2.8066 3.9632 3.9639 3.9839 3.9844 4.7217 4.7248 5.0645 5.0673 5.1848 5.1849 10.6093 10.6109 13.4431 13.4448 13.6765 13.6770 14.1940 14.1943 k = 0.2946 0.5000 0.2946 ( 7822 PWs) bands (ev): -38.6118 -38.6118 -38.5641 -38.5641 -38.5583 -38.5583 -38.5563 -38.5563 -16.1523 -16.1523 -12.6490 -12.6489 -12.5446 -12.5446 -12.5294 -12.5294 -3.0308 -3.0307 -1.2917 -1.2886 -1.1740 -1.1734 -1.1019 -1.0994 2.3843 2.3852 2.6482 2.6579 2.7869 2.7988 3.9451 3.9457 3.9762 3.9767 4.6814 4.6845 5.0524 5.0553 5.1757 5.1759 10.6347 10.6364 13.4961 13.4979 13.7312 13.7317 14.3071 14.3073 k = 0.2857 0.5000 0.2857 ( 7824 PWs) bands (ev): -38.6124 -38.6124 -38.5644 -38.5644 -38.5579 -38.5579 -38.5559 -38.5559 -16.1581 -16.1581 -12.6493 -12.6492 -12.5357 -12.5357 -12.5201 -12.5201 -3.0376 -3.0374 -1.2892 -1.2860 -1.1599 -1.1592 -1.0844 -1.0817 2.3461 2.3470 2.6367 2.6466 2.7791 2.7912 3.9255 3.9261 3.9688 3.9693 4.6416 4.6447 5.0411 5.0440 5.1668 5.1670 10.6613 10.6631 13.5506 13.5524 13.7849 13.7854 14.4219 14.4221 k = 0.2768 0.5000 0.2768 ( 7828 PWs) bands (ev): -38.6131 -38.6131 -38.5647 -38.5647 -38.5575 -38.5575 -38.5555 -38.5555 -16.1640 -16.1640 -12.6497 -12.6496 -12.5266 -12.5266 -12.5107 -12.5107 -3.0450 -3.0448 -1.2869 -1.2836 -1.1454 -1.1447 -1.0669 -1.0641 2.3076 2.3085 2.6263 2.6364 2.7714 2.7837 3.9044 3.9049 3.9618 3.9622 4.6025 4.6056 5.0306 5.0336 5.1580 5.1582 10.6890 10.6910 13.6065 13.6085 13.8373 13.8378 14.5381 14.5381 k = 0.2679 0.5000 0.2679 ( 7824 PWs) bands (ev): -38.6137 -38.6137 -38.5650 -38.5650 -38.5571 -38.5571 -38.5551 -38.5551 -16.1700 -16.1700 -12.6501 -12.6500 -12.5173 -12.5172 -12.5012 -12.5011 -3.0531 -3.0529 -1.2846 -1.2812 -1.1306 -1.1299 -1.0495 -1.0466 2.2689 2.2698 2.6171 2.6273 2.7639 2.7763 3.8817 3.8823 3.9552 3.9556 4.5643 4.5673 5.0210 5.0240 5.1493 5.1496 10.7178 10.7199 13.6638 13.6659 13.8883 13.8887 14.6550 14.6550 k = 0.2589 0.5000 0.2589 ( 7824 PWs) bands (ev): -38.6144 -38.6144 -38.5653 -38.5653 -38.5567 -38.5567 -38.5547 -38.5547 -16.1760 -16.1760 -12.6505 -12.6504 -12.5078 -12.5077 -12.4915 -12.4915 -3.0619 -3.0617 -1.2824 -1.2789 -1.1155 -1.1148 -1.0323 -1.0293 2.2302 2.2311 2.6091 2.6194 2.7566 2.7691 3.8576 3.8581 3.9490 3.9495 4.5271 4.5300 5.0123 5.0153 5.1409 5.1411 10.7475 10.7497 13.7225 13.7247 13.9375 13.9379 14.7720 14.7721 k = 0.2500 0.5000 0.2500 ( 7832 PWs) bands (ev): -38.6150 -38.6150 -38.5656 -38.5656 -38.5563 -38.5563 -38.5543 -38.5543 -16.1820 -16.1820 -12.6510 -12.6509 -12.4981 -12.4980 -12.4818 -12.4818 -3.0715 -3.0713 -1.2802 -1.2766 -1.1002 -1.0994 -1.0153 -1.0122 2.1914 2.1923 2.6023 2.6126 2.7494 2.7620 3.8321 3.8325 3.9435 3.9439 4.4911 4.4939 5.0045 5.0075 5.1326 5.1329 10.7781 10.7805 13.7825 13.7848 13.9847 13.9851 14.8884 14.8886 k = 0.2411 0.5000 0.2411 ( 7820 PWs) bands (ev): -38.6157 -38.6157 -38.5659 -38.5659 -38.5558 -38.5558 -38.5539 -38.5539 -16.1880 -16.1880 -12.6515 -12.6514 -12.4883 -12.4882 -12.4721 -12.4720 -3.0817 -3.0815 -1.2781 -1.2744 -1.0846 -1.0839 -0.9986 -0.9954 2.1529 2.1538 2.5967 2.6070 2.7424 2.7550 3.8053 3.8056 3.9387 3.9391 4.4564 4.4591 4.9977 5.0006 5.1246 5.1249 10.8094 10.8119 13.8437 13.8461 14.0298 14.0302 15.0032 15.0034 k = 0.2321 0.5000 0.2321 ( 7816 PWs) bands (ev): -38.6163 -38.6163 -38.5662 -38.5662 -38.5554 -38.5554 -38.5536 -38.5536 -16.1940 -16.1940 -12.6521 -12.6520 -12.4783 -12.4783 -12.4624 -12.4623 -3.0926 -3.0924 -1.2760 -1.2722 -1.0689 -1.0681 -0.9823 -0.9790 2.1146 2.1154 2.5922 2.6026 2.7356 2.7482 3.7772 3.7774 3.9346 3.9349 4.4230 4.4256 4.9917 4.9946 5.1168 5.1172 10.8414 10.8440 13.9062 13.9087 14.0726 14.0729 15.1146 15.1147 k = 0.2232 0.5000 0.2232 ( 7820 PWs) bands (ev): -38.6170 -38.6170 -38.5665 -38.5665 -38.5549 -38.5549 -38.5532 -38.5532 -16.1999 -16.1999 -12.6527 -12.6526 -12.4684 -12.4683 -12.4527 -12.4526 -3.1041 -3.1039 -1.2738 -1.2700 -1.0531 -1.0523 -0.9664 -0.9631 2.0766 2.0775 2.5889 2.5992 2.7291 2.7416 3.7481 3.7482 3.9312 3.9315 4.3911 4.3935 4.9867 4.9896 5.1093 5.1097 10.8738 10.8765 13.9698 13.9724 14.1128 14.1131 15.2192 15.2192 k = 0.2143 0.5000 0.2143 ( 7798 PWs) bands (ev): -38.6177 -38.6177 -38.5668 -38.5668 -38.5545 -38.5545 -38.5528 -38.5528 -16.2058 -16.2058 -12.6534 -12.6533 -12.4584 -12.4583 -12.4430 -12.4430 -3.1162 -3.1159 -1.2716 -1.2677 -1.0371 -1.0364 -0.9511 -0.9476 2.0391 2.0400 2.5867 2.5969 2.7227 2.7351 3.7179 3.7180 3.9288 3.9290 4.3606 4.3629 4.9825 4.9854 5.1021 5.1025 10.9064 10.9093 14.0346 14.0373 14.1503 14.1507 15.3078 15.3079 k = 0.2054 0.5000 0.2054 ( 7810 PWs) bands (ev): -38.6184 -38.6184 -38.5671 -38.5671 -38.5540 -38.5540 -38.5524 -38.5524 -16.2116 -16.2116 -12.6541 -12.6540 -12.4484 -12.4483 -12.4335 -12.4334 -3.1288 -3.1285 -1.2694 -1.2654 -1.0212 -1.0204 -0.9363 -0.9328 2.0023 2.0031 2.5855 2.5956 2.7165 2.7288 3.6870 3.6871 3.9272 3.9274 4.3315 4.3337 4.9793 4.9821 5.0952 5.0956 10.9393 10.9422 14.1005 14.1033 14.1850 14.1853 15.3573 15.3579 k = 0.1964 0.5000 0.1964 ( 7814 PWs) bands (ev): -38.6190 -38.6190 -38.5674 -38.5674 -38.5536 -38.5536 -38.5520 -38.5520 -16.2173 -16.2173 -12.6548 -12.6547 -12.4384 -12.4384 -12.4241 -12.4240 -3.1418 -3.1416 -1.2671 -1.2631 -1.0053 -1.0045 -0.9222 -0.9186 1.9661 1.9669 2.5852 2.5951 2.7106 2.7226 3.6555 3.6556 3.9265 3.9266 4.3040 4.3060 4.9769 4.9797 5.0886 5.0890 10.9720 10.9751 14.1674 14.1703 14.2167 14.2170 15.3532 15.3552 k = 0.1875 0.5000 0.1875 ( 7810 PWs) bands (ev): -38.6197 -38.6197 -38.5677 -38.5677 -38.5531 -38.5531 -38.5517 -38.5517 -16.2229 -16.2229 -12.6555 -12.6554 -12.4285 -12.4285 -12.4148 -12.4147 -3.1552 -3.1550 -1.2647 -1.2607 -0.9895 -0.9887 -0.9087 -0.9050 1.9306 1.9314 2.5857 2.5954 2.7049 2.7167 3.6236 3.6238 3.9267 3.9268 4.2779 4.2798 4.9754 4.9780 5.0822 5.0827 11.0046 11.0077 14.2353 14.2378 14.2456 14.2457 15.3224 15.3252 k = 0.1786 0.5000 0.1786 ( 7806 PWs) bands (ev): -38.6203 -38.6203 -38.5680 -38.5680 -38.5527 -38.5527 -38.5513 -38.5513 -16.2283 -16.2283 -12.6563 -12.6562 -12.4187 -12.4187 -12.4057 -12.4057 -3.1689 -3.1686 -1.2622 -1.2582 -0.9738 -0.9730 -0.8958 -0.8922 1.8961 1.8969 2.5869 2.5964 2.6996 2.7110 3.5915 3.5918 3.9279 3.9279 4.2532 4.2550 4.9746 4.9772 5.0762 5.0767 11.0368 11.0399 14.2702 14.2708 14.3042 14.3075 15.2834 15.2867 k = 0.1696 0.5000 0.1696 ( 7798 PWs) bands (ev): -38.6209 -38.6209 -38.5683 -38.5683 -38.5522 -38.5522 -38.5510 -38.5510 -16.2337 -16.2337 -12.6570 -12.6569 -12.4091 -12.4091 -12.3969 -12.3968 -3.1828 -3.1825 -1.2595 -1.2556 -0.9583 -0.9575 -0.8838 -0.8801 1.8626 1.8633 2.5886 2.5978 2.6945 2.7056 3.5595 3.5598 3.9300 3.9300 4.2299 4.2316 4.9746 4.9771 5.0705 5.0710 11.0683 11.0716 14.2920 14.2926 14.3740 14.3773 15.2426 15.2460 k = 0.1607 0.5000 0.1607 ( 7798 PWs) bands (ev): -38.6215 -38.6215 -38.5686 -38.5686 -38.5518 -38.5518 -38.5506 -38.5506 -16.2388 -16.2388 -12.6578 -12.6577 -12.3997 -12.3997 -12.3882 -12.3882 -3.1968 -3.1965 -1.2568 -1.2529 -0.9431 -0.9423 -0.8724 -0.8687 1.8301 1.8308 2.5908 2.5997 2.6898 2.7005 3.5277 3.5281 3.9328 3.9329 4.2080 4.2095 4.9753 4.9776 5.0651 5.0656 11.0991 11.1024 14.3102 14.3109 14.4446 14.4480 15.2023 15.2057 k = 0.1518 0.5000 0.1518 ( 7810 PWs) bands (ev): -38.6221 -38.6221 -38.5689 -38.5689 -38.5514 -38.5514 -38.5503 -38.5503 -16.2438 -16.2438 -12.6585 -12.6585 -12.3906 -12.3905 -12.3799 -12.3799 -3.2108 -3.2106 -1.2540 -1.2502 -0.9282 -0.9275 -0.8618 -0.8582 1.7989 1.7995 2.5932 2.6017 2.6856 2.6958 3.4964 3.4968 3.9365 3.9367 4.1874 4.1888 4.9765 4.9788 5.0600 5.0605 11.1290 11.1323 14.3248 14.3256 14.5159 14.5194 15.1641 15.1674 k = 0.1429 0.5000 0.1429 ( 7802 PWs) bands (ev): -38.6227 -38.6227 -38.5692 -38.5692 -38.5510 -38.5510 -38.5500 -38.5500 -16.2485 -16.2485 -12.6593 -12.6592 -12.3816 -12.3816 -12.3719 -12.3718 -3.2247 -3.2245 -1.2512 -1.2474 -0.9137 -0.9130 -0.8519 -0.8483 1.7689 1.7695 2.5958 2.6037 2.6819 2.6914 3.4658 3.4662 3.9410 3.9412 4.1681 4.1694 4.9784 4.9805 5.0553 5.0558 11.1577 11.1610 14.3357 14.3366 14.5879 14.5915 15.1289 15.1320 k = 0.1339 0.5000 0.1339 ( 7810 PWs) bands (ev): -38.6232 -38.6232 -38.5694 -38.5694 -38.5506 -38.5506 -38.5497 -38.5497 -16.2531 -16.2531 -12.6600 -12.6600 -12.3731 -12.3730 -12.3642 -12.3641 -3.2385 -3.2383 -1.2482 -1.2446 -0.8997 -0.8989 -0.8428 -0.8393 1.7402 1.7408 2.5983 2.6055 2.6788 2.6876 3.4360 3.4365 3.9461 3.9463 4.1500 4.1513 4.9806 4.9826 5.0508 5.0513 11.1851 11.1883 14.3429 14.3440 14.6605 14.6642 15.0973 15.1002 k = 0.1250 0.5000 0.1250 ( 7798 PWs) bands (ev): -38.6237 -38.6237 -38.5697 -38.5697 -38.5502 -38.5502 -38.5494 -38.5494 -16.2574 -16.2574 -12.6607 -12.6607 -12.3648 -12.3648 -12.3568 -12.3568 -3.2519 -3.2517 -1.2453 -1.2418 -0.8861 -0.8854 -0.8345 -0.8310 1.7130 1.7136 2.6005 2.6071 2.6764 2.6844 3.4073 3.4078 3.9517 3.9520 4.1332 4.1344 4.9833 4.9852 5.0467 5.0472 11.2110 11.2142 14.3467 14.3479 14.7336 14.7373 15.0698 15.0724 k = 0.1161 0.5000 0.1161 ( 7802 PWs) bands (ev): -38.6242 -38.6242 -38.5699 -38.5699 -38.5498 -38.5498 -38.5492 -38.5492 -16.2615 -16.2615 -12.6614 -12.6614 -12.3570 -12.3569 -12.3499 -12.3498 -3.2650 -3.2648 -1.2423 -1.2389 -0.8732 -0.8724 -0.8268 -0.8235 1.6873 1.6878 2.6025 2.6082 2.6748 2.6818 3.3797 3.3802 3.9578 3.9582 4.1177 4.1187 4.9863 4.9880 5.0428 5.0434 11.2354 11.2385 14.3473 14.3486 14.8070 14.8108 15.0467 15.0490 k = 0.1071 0.5000 0.1071 ( 7802 PWs) bands (ev): -38.6247 -38.6247 -38.5701 -38.5701 -38.5495 -38.5495 -38.5489 -38.5489 -16.2653 -16.2653 -12.6621 -12.6621 -12.3495 -12.3495 -12.3433 -12.3433 -3.2775 -3.2774 -1.2393 -1.2361 -0.8609 -0.8601 -0.8199 -0.8167 1.6632 1.6637 2.6040 2.6087 2.6740 2.6800 3.3536 3.3541 3.9642 3.9646 4.1033 4.1043 4.9896 4.9911 5.0393 5.0399 11.2581 11.2611 14.3451 14.3465 14.8806 14.8844 15.0281 15.0301 k = 0.0982 0.5000 0.0982 ( 7788 PWs) bands (ev): -38.6251 -38.6251 -38.5703 -38.5703 -38.5492 -38.5492 -38.5487 -38.5487 -16.2689 -16.2689 -12.6628 -12.6627 -12.3426 -12.3425 -12.3372 -12.3372 -3.2895 -3.2893 -1.2364 -1.2334 -0.8493 -0.8485 -0.8137 -0.8106 1.6408 1.6412 2.6049 2.6087 2.6739 2.6788 3.3290 3.3295 3.9707 3.9712 4.0901 4.0911 4.9929 4.9943 5.0361 5.0367 11.2790 11.2818 14.3405 14.3421 14.9542 14.9581 15.0137 15.0154 k = 0.0893 0.5000 0.0893 ( 7800 PWs) bands (ev): -38.6255 -38.6255 -38.5705 -38.5705 -38.5489 -38.5489 -38.5485 -38.5485 -16.2722 -16.2722 -12.6633 -12.6633 -12.3361 -12.3360 -12.3315 -12.3315 -3.3008 -3.3006 -1.2335 -1.2307 -0.8384 -0.8377 -0.8081 -0.8052 1.6201 1.6205 2.6053 2.6081 2.6745 2.6784 3.3060 3.3065 3.9773 3.9778 4.0781 4.0791 4.9963 4.9975 5.0332 5.0338 11.2980 11.3007 14.3342 14.3358 15.0033 15.0047 15.0275 15.0315 k = 0.0804 0.5000 0.0804 ( 7800 PWs) bands (ev): -38.6259 -38.6259 -38.5707 -38.5707 -38.5486 -38.5486 -38.5483 -38.5483 -16.2752 -16.2752 -12.6639 -12.6639 -12.3301 -12.3301 -12.3263 -12.3263 -3.3113 -3.3111 -1.2308 -1.2282 -0.8284 -0.8278 -0.8032 -0.8004 1.6011 1.6015 2.6051 2.6072 2.6755 2.6785 3.2848 3.2853 3.9837 3.9843 4.0674 4.0683 4.9997 5.0007 5.0306 5.0312 11.3151 11.3176 14.3268 14.3284 14.9965 14.9976 15.1003 15.1043 k = 0.0714 0.5000 0.0714 ( 7788 PWs) bands (ev): -38.6262 -38.6262 -38.5709 -38.5709 -38.5483 -38.5483 -38.5481 -38.5481 -16.2779 -16.2779 -12.6644 -12.6644 -12.3247 -12.3247 -12.3216 -12.3216 -3.3209 -3.3208 -1.2282 -1.2259 -0.8193 -0.8187 -0.7988 -0.7962 1.5840 1.5844 2.6046 2.6060 2.6769 2.6791 3.2656 3.2660 3.9898 3.9905 4.0578 4.0587 5.0029 5.0037 5.0283 5.0290 11.3303 11.3326 14.3189 14.3205 14.9926 14.9935 15.1721 15.1761 k = 0.0625 0.5000 0.0625 ( 7796 PWs) bands (ev): -38.6265 -38.6265 -38.5710 -38.5710 -38.5481 -38.5481 -38.5479 -38.5479 -16.2804 -16.2804 -12.6649 -12.6648 -12.3198 -12.3198 -12.3175 -12.3174 -3.3296 -3.3295 -1.2258 -1.2237 -0.8112 -0.8105 -0.7950 -0.7927 1.5688 1.5691 2.6038 2.6047 2.6785 2.6801 3.2483 3.2487 3.9955 3.9961 4.0495 4.0504 5.0059 5.0065 5.0264 5.0271 11.3436 11.3457 14.3109 14.3124 14.9913 14.9919 15.2425 15.2464 k = 0.0536 0.5000 0.0536 ( 7816 PWs) bands (ev): -38.6268 -38.6268 -38.5712 -38.5712 -38.5479 -38.5479 -38.5478 -38.5478 -16.2825 -16.2825 -12.6653 -12.6653 -12.3156 -12.3156 -12.3138 -12.3138 -3.3373 -3.3372 -1.2237 -1.2218 -0.8041 -0.8034 -0.7918 -0.7896 1.5556 1.5558 2.6028 2.6033 2.6801 2.6812 3.2332 3.2335 4.0004 4.0011 4.0426 4.0435 5.0086 5.0090 5.0249 5.0256 11.3550 11.3568 14.3033 14.3047 14.9918 14.9922 15.3106 15.3144 k = 0.0446 0.5000 0.0446 ( 7820 PWs) bands (ev): -38.6270 -38.6270 -38.5713 -38.5713 -38.5478 -38.5478 -38.5477 -38.5477 -16.2843 -16.2843 -12.6656 -12.6656 -12.3120 -12.3120 -12.3107 -12.3107 -3.3439 -3.3438 -1.2217 -1.2202 -0.7980 -0.7974 -0.7890 -0.7870 1.5443 1.5445 2.6017 2.6020 2.6816 2.6824 3.2203 3.2205 4.0045 4.0052 4.0371 4.0380 5.0108 5.0110 5.0237 5.0245 11.3645 11.3661 14.2965 14.2978 14.9936 14.9939 15.3753 15.3790 k = 0.0357 0.5000 0.0357 ( 7816 PWs) bands (ev): -38.6272 -38.6272 -38.5714 -38.5714 -38.5476 -38.5476 -38.5476 -38.5476 -16.2858 -16.2858 -12.6659 -12.6659 -12.3090 -12.3090 -12.3081 -12.3081 -3.3493 -3.3493 -1.2201 -1.2188 -0.7931 -0.7925 -0.7866 -0.7849 1.5350 1.5352 2.6008 2.6008 2.6829 2.6834 3.2096 3.2098 4.0074 4.0082 4.0331 4.0340 5.0125 5.0125 5.0230 5.0238 11.3723 11.3736 14.2907 14.2918 14.9961 14.9963 15.4352 15.4386 k = 0.0268 0.5000 0.0268 ( 7816 PWs) bands (ev): -38.6273 -38.6273 -38.5714 -38.5714 -38.5475 -38.5475 -38.5475 -38.5475 -16.2869 -16.2869 -12.6661 -12.6661 -12.3067 -12.3067 -12.3060 -12.3060 -3.3536 -3.3536 -1.2187 -1.2178 -0.7894 -0.7889 -0.7845 -0.7832 1.5278 1.5279 2.5999 2.5999 2.6841 2.6844 3.2012 3.2014 4.0092 4.0099 4.0308 4.0315 5.0135 5.0136 5.0228 5.0235 11.3783 11.3793 14.2861 14.2869 14.9988 14.9990 15.4879 15.4908 k = 0.0179 0.5000 0.0179 ( 7820 PWs) bands (ev): -38.6274 -38.6274 -38.5715 -38.5715 -38.5475 -38.5475 -38.5474 -38.5474 -16.2877 -16.2877 -12.6663 -12.6663 -12.3050 -12.3050 -12.3046 -12.3045 -3.3567 -3.3567 -1.2177 -1.2171 -0.7869 -0.7866 -0.7827 -0.7818 1.5226 1.5227 2.5992 2.5992 2.6849 2.6851 3.1952 3.1954 4.0100 4.0104 4.0298 4.0303 5.0140 5.0142 5.0229 5.0234 11.3826 11.3832 14.2828 14.2833 15.0012 15.0013 15.5303 15.5325 k = 0.0089 0.5000 0.0089 ( 7824 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2882 -16.2882 -12.6664 -12.6664 -12.3041 -12.3041 -12.3036 -12.3036 -3.3586 -3.3586 -1.2170 -1.2167 -0.7855 -0.7854 -0.7813 -0.7810 1.5195 1.5195 2.5988 2.5988 2.6854 2.6855 3.1916 3.1917 4.0102 4.0104 4.0296 4.0298 5.0143 5.0144 5.0231 5.0234 11.3852 11.3855 14.2808 14.2811 15.0028 15.0028 15.5585 15.5596 k = 0.0000 0.5000-0.0000 ( 7856 PWs) bands (ev): -38.6275 -38.6275 -38.5715 -38.5715 -38.5474 -38.5474 -38.5474 -38.5474 -16.2884 -16.2884 -12.6664 -12.6664 -12.3038 -12.3038 -12.3033 -12.3033 -3.3592 -3.3592 -1.2167 -1.2167 -0.7851 -0.7851 -0.7808 -0.7808 1.5185 1.5185 2.5987 2.5987 2.6856 2.6856 3.1905 3.1905 4.0103 4.0103 4.0296 4.0296 5.0144 5.0144 5.0233 5.0233 11.3862 11.3862 14.2803 14.2803 15.0034 15.0034 15.5679 15.5679 k = 0.5000 0.5000-0.0000 ( 7788 PWs) bands (ev): -38.6117 -38.6117 -38.5619 -38.5619 -38.5619 -38.5619 -38.5556 -38.5556 -16.1760 -16.1760 -12.6406 -12.6406 -12.6403 -12.6403 -12.3667 -12.3667 -2.9808 -2.9808 -1.4226 -1.4226 -0.9445 -0.9445 -0.9408 -0.9408 2.4629 2.4629 2.5710 2.5710 2.5863 2.5863 3.4963 3.4963 3.9030 3.9030 4.4899 4.4899 4.4980 4.4980 5.5073 5.5073 10.5402 10.5402 15.1962 15.1962 15.1968 15.1968 15.4344 15.4344 k = 0.5000 0.5000 0.0128 ( 7812 PWs) bands (ev): -38.6117 -38.6117 -38.5619 -38.5619 -38.5619 -38.5619 -38.5556 -38.5556 -16.1759 -16.1759 -12.6406 -12.6406 -12.6403 -12.6403 -12.3671 -12.3671 -2.9808 -2.9808 -1.4223 -1.4223 -0.9452 -0.9452 -0.9416 -0.9416 2.4627 2.4627 2.5718 2.5718 2.5871 2.5871 3.4981 3.4981 3.9033 3.9033 4.4909 4.4909 4.4991 4.4991 5.5071 5.5071 10.5401 10.5401 15.1867 15.1867 15.1875 15.1875 15.3677 15.3677 k = 0.5000 0.5000 0.0256 ( 7812 PWs) bands (ev): -38.6117 -38.6117 -38.5619 -38.5619 -38.5619 -38.5619 -38.5557 -38.5557 -16.1754 -16.1754 -12.6407 -12.6407 -12.6403 -12.6403 -12.3685 -12.3685 -2.9809 -2.9809 -1.4216 -1.4216 -0.9476 -0.9476 -0.9439 -0.9439 2.4619 2.4619 2.5742 2.5742 2.5896 2.5896 3.5037 3.5037 3.9041 3.9041 4.4941 4.4941 4.5023 4.5023 5.5063 5.5063 10.5398 10.5398 15.1598 15.1598 15.1608 15.1608 15.2543 15.2543 k = 0.5000 0.5000 0.0385 ( 7804 PWs) bands (ev): -38.6116 -38.6116 -38.5619 -38.5619 -38.5619 -38.5619 -38.5557 -38.5557 -16.1746 -16.1746 -12.6407 -12.6407 -12.6404 -12.6404 -12.3708 -12.3708 -2.9810 -2.9810 -1.4203 -1.4203 -0.9514 -0.9514 -0.9477 -0.9477 2.4606 2.4606 2.5782 2.5782 2.5936 2.5936 3.5128 3.5128 3.9055 3.9055 4.4993 4.4993 4.5076 4.5076 5.5050 5.5050 10.5393 10.5393 15.1182 15.1182 15.1196 15.1196 15.1344 15.1344 k = 0.5000 0.5000 0.0513 ( 7804 PWs) bands (ev): -38.6116 -38.6116 -38.5619 -38.5619 -38.5619 -38.5619 -38.5557 -38.5557 -16.1736 -16.1736 -12.6409 -12.6409 -12.6405 -12.6405 -12.3740 -12.3740 -2.9812 -2.9812 -1.4187 -1.4187 -0.9567 -0.9567 -0.9530 -0.9530 2.4591 2.4591 2.5836 2.5836 2.5991 2.5991 3.5253 3.5253 3.9074 3.9074 4.5066 4.5066 4.5150 4.5150 5.5031 5.5031 10.5385 10.5385 15.0127 15.0127 15.0659 15.0659 15.0672 15.0672 k = 0.5000 0.5000 0.0641 ( 7796 PWs) bands (ev): -38.6115 -38.6115 -38.5619 -38.5619 -38.5619 -38.5619 -38.5558 -38.5558 -16.1722 -16.1722 -12.6410 -12.6410 -12.6407 -12.6407 -12.3780 -12.3780 -2.9814 -2.9814 -1.4165 -1.4165 -0.9635 -0.9635 -0.9597 -0.9597 2.4576 2.4576 2.5905 2.5905 2.6061 2.6061 3.5409 3.5409 3.9098 3.9098 4.5159 4.5159 4.5245 4.5245 5.5007 5.5007 10.5376 10.5376 14.8920 14.8920 15.0046 15.0046 15.0059 15.0059 k = 0.5000 0.5000 0.0769 ( 7788 PWs) bands (ev): -38.6114 -38.6114 -38.5619 -38.5619 -38.5619 -38.5619 -38.5559 -38.5559 -16.1705 -16.1705 -12.6412 -12.6412 -12.6408 -12.6408 -12.3830 -12.3830 -2.9816 -2.9816 -1.4140 -1.4140 -0.9716 -0.9716 -0.9678 -0.9678 2.4561 2.4561 2.5987 2.5987 2.6145 2.6145 3.5594 3.5594 3.9127 3.9127 4.5273 4.5273 4.5361 4.5361 5.4979 5.4979 10.5363 10.5363 14.7726 14.7726 14.9365 14.9365 14.9378 14.9378 k = 0.5000 0.5000 0.0897 ( 7788 PWs) bands (ev): -38.6112 -38.6112 -38.5619 -38.5619 -38.5619 -38.5619 -38.5560 -38.5560 -16.1686 -16.1686 -12.6414 -12.6414 -12.6410 -12.6410 -12.3887 -12.3887 -2.9819 -2.9819 -1.4111 -1.4111 -0.9810 -0.9810 -0.9772 -0.9772 2.4550 2.4550 2.6082 2.6082 2.6241 2.6241 3.5804 3.5804 3.9162 3.9162 4.5408 4.5408 4.5497 4.5497 5.4945 5.4945 10.5348 10.5348 14.6551 14.6551 14.8631 14.8631 14.8643 14.8643 k = 0.5000 0.5000 0.1026 ( 7812 PWs) bands (ev): -38.6111 -38.6111 -38.5619 -38.5619 -38.5619 -38.5619 -38.5561 -38.5561 -16.1664 -16.1664 -12.6416 -12.6416 -12.6413 -12.6413 -12.3952 -12.3952 -2.9823 -2.9823 -1.4079 -1.4079 -0.9916 -0.9916 -0.9877 -0.9877 2.4545 2.4545 2.6187 2.6187 2.6348 2.6348 3.6037 3.6037 3.9201 3.9201 4.5562 4.5562 4.5654 4.5654 5.4907 5.4907 10.5329 10.5329 14.5396 14.5396 14.7853 14.7853 14.7864 14.7864 k = 0.5000 0.5000 0.1154 ( 7796 PWs) bands (ev): -38.6109 -38.6109 -38.5618 -38.5618 -38.5618 -38.5618 -38.5562 -38.5562 -16.1639 -16.1639 -12.6419 -12.6419 -12.6415 -12.6415 -12.4024 -12.4024 -2.9826 -2.9826 -1.4044 -1.4044 -1.0032 -1.0032 -0.9994 -0.9994 2.4549 2.4549 2.6303 2.6303 2.6465 2.6465 3.6288 3.6288 3.9245 3.9245 4.5736 4.5736 4.5830 4.5830 5.4864 5.4864 10.5307 10.5307 14.4266 14.4266 14.7041 14.7041 14.7051 14.7051 k = 0.5000 0.5000 0.1282 ( 7808 PWs) bands (ev): -38.6108 -38.6108 -38.5618 -38.5618 -38.5618 -38.5618 -38.5564 -38.5564 -16.1612 -16.1612 -12.6421 -12.6421 -12.6418 -12.6418 -12.4103 -12.4103 -2.9830 -2.9830 -1.4008 -1.4008 -1.0159 -1.0159 -1.0120 -1.0120 2.4564 2.4564 2.6426 2.6426 2.6591 2.6591 3.6554 3.6554 3.9293 3.9293 4.5930 4.5930 4.6026 4.6026 5.4816 5.4816 10.5282 10.5282 14.3164 14.3164 14.6201 14.6201 14.6210 14.6210 k = 0.5000 0.5000 0.1410 ( 7808 PWs) bands (ev): -38.6106 -38.6106 -38.5618 -38.5618 -38.5618 -38.5618 -38.5565 -38.5565 -16.1582 -16.1582 -12.6424 -12.6424 -12.6421 -12.6421 -12.4189 -12.4189 -2.9835 -2.9835 -1.3970 -1.3970 -1.0294 -1.0294 -1.0255 -1.0255 2.4591 2.4591 2.6557 2.6557 2.6723 2.6723 3.6831 3.6831 3.9346 3.9346 4.6142 4.6142 4.6240 4.6240 5.4765 5.4765 10.5252 10.5252 14.2091 14.2091 14.5338 14.5338 14.5346 14.5346 k = 0.5000 0.5000 0.1538 ( 7800 PWs) bands (ev): -38.6104 -38.6104 -38.5618 -38.5618 -38.5618 -38.5618 -38.5567 -38.5567 -16.1551 -16.1551 -12.6428 -12.6428 -12.6424 -12.6424 -12.4280 -12.4280 -2.9839 -2.9839 -1.3931 -1.3931 -1.0437 -1.0437 -1.0398 -1.0398 2.4633 2.4633 2.6693 2.6693 2.6862 2.6862 3.7117 3.7117 3.9403 3.9403 4.6372 4.6372 4.6472 4.6472 5.4709 5.4709 10.5218 10.5218 14.1051 14.1051 14.4459 14.4459 14.4466 14.4466 k = 0.5000 0.5000 0.1667 ( 7808 PWs) bands (ev): -38.6101 -38.6101 -38.5618 -38.5618 -38.5618 -38.5618 -38.5569 -38.5569 -16.1517 -16.1517 -12.6431 -12.6431 -12.6428 -12.6428 -12.4377 -12.4377 -2.9844 -2.9844 -1.3891 -1.3891 -1.0586 -1.0586 -1.0546 -1.0546 2.4691 2.4691 2.6833 2.6833 2.7004 2.7004 3.7407 3.7407 3.9463 3.9463 4.6619 4.6619 4.6722 4.6722 5.4650 5.4650 10.5179 10.5179 14.0045 14.0045 14.3568 14.3568 14.3575 14.3575 k = 0.5000 0.5000 0.1795 ( 7788 PWs) bands (ev): -38.6099 -38.6099 -38.5617 -38.5617 -38.5617 -38.5617 -38.5571 -38.5571 -16.1482 -16.1482 -12.6435 -12.6435 -12.6431 -12.6431 -12.4478 -12.4478 -2.9850 -2.9850 -1.3852 -1.3852 -1.0740 -1.0740 -1.0700 -1.0700 2.4766 2.4766 2.6976 2.6976 2.7149 2.7149 3.7700 3.7700 3.9527 3.9527 4.6882 4.6882 4.6987 4.6987 5.4587 5.4587 10.5135 10.5135 13.9075 13.9075 14.2670 14.2670 14.2677 14.2677 k = 0.5000 0.5000 0.1923 ( 7788 PWs) bands (ev): -38.6096 -38.6096 -38.5617 -38.5617 -38.5617 -38.5617 -38.5573 -38.5573 -16.1445 -16.1445 -12.6438 -12.6438 -12.6435 -12.6435 -12.4583 -12.4583 -2.9855 -2.9855 -1.3814 -1.3814 -1.0899 -1.0899 -1.0859 -1.0859 2.4859 2.4859 2.7120 2.7120 2.7295 2.7295 3.7991 3.7991 3.9594 3.9594 4.7160 4.7160 4.7268 4.7268 5.4521 5.4521 10.5086 10.5086 13.8144 13.8144 14.1769 14.1769 14.1776 14.1776 k = 0.5000 0.5000 0.2051 ( 7788 PWs) bands (ev): -38.6094 -38.6094 -38.5617 -38.5617 -38.5617 -38.5617 -38.5575 -38.5575 -16.1407 -16.1407 -12.6442 -12.6442 -12.6439 -12.6439 -12.4692 -12.4692 -2.9861 -2.9861 -1.3776 -1.3776 -1.1060 -1.1060 -1.1019 -1.1019 2.4970 2.4970 2.7265 2.7265 2.7442 2.7442 3.8277 3.8277 3.9664 3.9664 4.7452 4.7452 4.7562 4.7562 5.4453 5.4453 10.5032 10.5032 13.7252 13.7252 14.0870 14.0870 14.0876 14.0876 k = 0.5000 0.5000 0.2179 ( 7800 PWs) bands (ev): -38.6091 -38.6091 -38.5617 -38.5617 -38.5617 -38.5617 -38.5577 -38.5577 -16.1368 -16.1368 -12.6446 -12.6446 -12.6443 -12.6443 -12.4803 -12.4803 -2.9866 -2.9866 -1.3740 -1.3740 -1.1223 -1.1223 -1.1182 -1.1182 2.5101 2.5101 2.7409 2.7409 2.7587 2.7587 3.8557 3.8557 3.9736 3.9736 4.7756 4.7756 4.7868 4.7868 5.4382 5.4382 10.4972 10.4972 13.6401 13.6401 13.9975 13.9975 13.9982 13.9982 k = 0.5000 0.5000 0.2308 ( 7800 PWs) bands (ev): -38.6088 -38.6088 -38.5616 -38.5616 -38.5616 -38.5616 -38.5579 -38.5579 -16.1328 -16.1328 -12.6450 -12.6450 -12.6447 -12.6447 -12.4915 -12.4915 -2.9872 -2.9872 -1.3706 -1.3706 -1.1386 -1.1386 -1.1345 -1.1345 2.5249 2.5249 2.7550 2.7550 2.7731 2.7731 3.8828 3.8828 3.9810 3.9810 4.8070 4.8070 4.8184 4.8184 5.4309 5.4309 10.4908 10.4908 13.5592 13.5592 13.9089 13.9089 13.9097 13.9097 k = 0.5000 0.5000 0.2436 ( 7796 PWs) bands (ev): -38.6085 -38.6085 -38.5616 -38.5616 -38.5616 -38.5616 -38.5581 -38.5581 -16.1287 -16.1287 -12.6454 -12.6454 -12.6451 -12.6451 -12.5029 -12.5029 -2.9878 -2.9878 -1.3674 -1.3674 -1.1549 -1.1549 -1.1508 -1.1508 2.5416 2.5416 2.7689 2.7689 2.7871 2.7871 3.9087 3.9087 3.9886 3.9886 4.8394 4.8394 4.8510 4.8510 5.4235 5.4235 10.4839 10.4839 13.4826 13.4826 13.8215 13.8215 13.8224 13.8224 k = 0.5000 0.5000 0.2564 ( 7796 PWs) bands (ev): -38.6083 -38.6083 -38.5616 -38.5616 -38.5616 -38.5616 -38.5583 -38.5583 -16.1246 -16.1246 -12.6458 -12.6458 -12.6455 -12.6455 -12.5143 -12.5143 -2.9884 -2.9884 -1.3645 -1.3645 -1.1711 -1.1711 -1.1669 -1.1669 2.5600 2.5600 2.7824 2.7824 2.8007 2.8007 3.9333 3.9333 3.9963 3.9963 4.8724 4.8724 4.8841 4.8841 5.4160 5.4160 10.4766 10.4766 13.4104 13.4104 13.7358 13.7358 13.7367 13.7367 k = 0.5000 0.5000 0.2692 ( 7800 PWs) bands (ev): -38.6080 -38.6080 -38.5616 -38.5616 -38.5616 -38.5616 -38.5586 -38.5586 -16.1205 -16.1205 -12.6462 -12.6462 -12.6459 -12.6459 -12.5257 -12.5257 -2.9889 -2.9889 -1.3618 -1.3618 -1.1869 -1.1869 -1.1828 -1.1828 2.5800 2.5800 2.7954 2.7954 2.8138 2.8138 3.9564 3.9564 4.0040 4.0040 4.9059 4.9059 4.9178 4.9178 5.4084 5.4084 10.4689 10.4689 13.3426 13.3426 13.6519 13.6519 13.6529 13.6529 k = 0.5000 0.5000 0.2821 ( 7800 PWs) bands (ev): -38.6077 -38.6077 -38.5615 -38.5615 -38.5615 -38.5615 -38.5588 -38.5588 -16.1165 -16.1165 -12.6466 -12.6466 -12.6463 -12.6463 -12.5370 -12.5370 -2.9895 -2.9895 -1.3594 -1.3594 -1.2025 -1.2025 -1.1983 -1.1983 2.6015 2.6015 2.8080 2.8080 2.8264 2.8264 3.9777 3.9777 4.0117 4.0117 4.9396 4.9396 4.9516 4.9516 5.4007 5.4007 10.4608 10.4608 13.2792 13.2792 13.5703 13.5703 13.5714 13.5714 k = 0.5000 0.5000 0.2949 ( 7796 PWs) bands (ev): -38.6074 -38.6074 -38.5615 -38.5615 -38.5615 -38.5615 -38.5590 -38.5590 -16.1124 -16.1124 -12.6470 -12.6470 -12.6467 -12.6467 -12.5481 -12.5481 -2.9901 -2.9901 -1.3572 -1.3572 -1.2176 -1.2176 -1.2134 -1.2134 2.6242 2.6242 2.8200 2.8200 2.8385 2.8385 3.9973 3.9973 4.0195 4.0195 4.9733 4.9733 4.9855 4.9855 5.3932 5.3932 10.4525 10.4525 13.2203 13.2203 13.4913 13.4913 13.4925 13.4925 k = 0.5000 0.5000 0.3077 ( 7796 PWs) bands (ev): -38.6071 -38.6071 -38.5615 -38.5615 -38.5615 -38.5615 -38.5593 -38.5593 -16.1085 -16.1085 -12.6474 -12.6474 -12.6471 -12.6471 -12.5589 -12.5589 -2.9906 -2.9906 -1.3553 -1.3553 -1.2322 -1.2322 -1.2280 -1.2280 2.6480 2.6480 2.8313 2.8313 2.8499 2.8499 4.0150 4.0150 4.0271 4.0271 5.0068 5.0068 5.0191 5.0191 5.3857 5.3857 10.4441 10.4441 13.1657 13.1657 13.4152 13.4152 13.4164 13.4164 k = 0.5000 0.5000 0.3205 ( 7796 PWs) bands (ev): -38.6069 -38.6069 -38.5615 -38.5615 -38.5615 -38.5615 -38.5595 -38.5595 -16.1046 -16.1046 -12.6478 -12.6478 -12.6474 -12.6474 -12.5694 -12.5694 -2.9912 -2.9912 -1.3537 -1.3537 -1.2462 -1.2462 -1.2419 -1.2419 2.6726 2.6726 2.8421 2.8421 2.8606 2.8606 4.0307 4.0307 4.0346 4.0346 5.0397 5.0397 5.0521 5.0521 5.3783 5.3783 10.4355 10.4355 13.1154 13.1154 13.3423 13.3423 13.3435 13.3435 k = 0.5000 0.5000 0.3333 ( 7812 PWs) bands (ev): -38.6066 -38.6066 -38.5614 -38.5614 -38.5614 -38.5614 -38.5597 -38.5597 -16.1009 -16.1009 -12.6482 -12.6482 -12.6478 -12.6478 -12.5795 -12.5795 -2.9917 -2.9917 -1.3523 -1.3523 -1.2595 -1.2595 -1.2552 -1.2552 2.6978 2.6978 2.8522 2.8522 2.8706 2.8706 4.0418 4.0418 4.0445 4.0445 5.0719 5.0719 5.0844 5.0844 5.3712 5.3712 10.4270 10.4270 13.0693 13.0693 13.2728 13.2728 13.2741 13.2741 k = 0.5000 0.5000 0.3462 ( 7788 PWs) bands (ev): -38.6063 -38.6063 -38.5614 -38.5614 -38.5614 -38.5614 -38.5599 -38.5599 -16.0973 -16.0973 -12.6485 -12.6485 -12.6481 -12.6481 -12.5892 -12.5892 -2.9922 -2.9922 -1.3512 -1.3512 -1.2721 -1.2721 -1.2678 -1.2678 2.7232 2.7232 2.8616 2.8616 2.8799 2.8799 4.0489 4.0489 4.0563 4.0563 5.1031 5.1031 5.1157 5.1157 5.3643 5.3643 10.4186 10.4186 13.0273 13.0273 13.2071 13.2071 13.2085 13.2085 k = 0.5000 0.5000 0.3590 ( 7788 PWs) bands (ev): -38.6061 -38.6061 -38.5614 -38.5614 -38.5614 -38.5614 -38.5601 -38.5601 -16.0940 -16.0940 -12.6488 -12.6488 -12.6485 -12.6485 -12.5983 -12.5983 -2.9926 -2.9926 -1.3503 -1.3503 -1.2839 -1.2839 -1.2796 -1.2796 2.7485 2.7485 2.8703 2.8703 2.8885 2.8885 4.0556 4.0556 4.0663 4.0663 5.1329 5.1329 5.1457 5.1457 5.3577 5.3577 10.4104 10.4104 12.9894 12.9894 13.1455 13.1455 13.1470 13.1470 k = 0.5000 0.5000 0.3718 ( 7796 PWs) bands (ev): -38.6059 -38.6059 -38.5614 -38.5614 -38.5614 -38.5614 -38.5603 -38.5603 -16.0908 -16.0908 -12.6491 -12.6491 -12.6488 -12.6488 -12.6069 -12.6069 -2.9930 -2.9930 -1.3495 -1.3495 -1.2949 -1.2949 -1.2905 -1.2905 2.7733 2.7733 2.8784 2.8784 2.8964 2.8964 4.0620 4.0620 4.0744 4.0744 5.1612 5.1612 5.1741 5.1741 5.3515 5.3515 10.4026 10.4026 12.9553 12.9553 13.0883 13.0883 13.0897 13.0897 k = 0.5000 0.5000 0.3846 ( 7800 PWs) bands (ev): -38.6056 -38.6056 -38.5614 -38.5614 -38.5614 -38.5614 -38.5605 -38.5605 -16.0878 -16.0878 -12.6494 -12.6494 -12.6490 -12.6490 -12.6148 -12.6148 -2.9934 -2.9934 -1.3489 -1.3489 -1.3049 -1.3049 -1.3006 -1.3006 2.7973 2.7973 2.8858 2.8858 2.9035 2.9035 4.0679 4.0679 4.0809 4.0809 5.1877 5.1877 5.2006 5.2006 5.3457 5.3457 10.3952 10.3952 12.9250 12.9250 13.0356 13.0356 13.0371 13.0371 k = 0.5000 0.5000 0.3974 ( 7784 PWs) bands (ev): -38.6054 -38.6054 -38.5613 -38.5613 -38.5613 -38.5613 -38.5606 -38.5606 -16.0851 -16.0851 -12.6497 -12.6497 -12.6493 -12.6493 -12.6220 -12.6220 -2.9938 -2.9938 -1.3485 -1.3485 -1.3141 -1.3141 -1.3096 -1.3096 2.8200 2.8200 2.8927 2.8927 2.9099 2.9099 4.0734 4.0734 4.0859 4.0859 5.2120 5.2120 5.2252 5.2252 5.3404 5.3404 10.3883 10.3883 12.8983 12.8983 12.9877 12.9877 12.9893 12.9893 k = 0.5000 0.5000 0.4103 ( 7776 PWs) bands (ev): -38.6052 -38.6052 -38.5613 -38.5613 -38.5613 -38.5613 -38.5608 -38.5608 -16.0827 -16.0827 -12.6499 -12.6499 -12.6495 -12.6495 -12.6285 -12.6285 -2.9941 -2.9941 -1.3482 -1.3482 -1.3222 -1.3222 -1.3177 -1.3177 2.8409 2.8409 2.8990 2.8990 2.9155 2.9155 4.0783 4.0783 4.0895 4.0895 5.2341 5.2341 5.2474 5.2474 5.3356 5.3356 10.3821 10.3821 12.8751 12.8751 12.9449 12.9449 12.9465 12.9465 k = 0.5000 0.5000 0.4231 ( 7784 PWs) bands (ev): -38.6051 -38.6051 -38.5613 -38.5613 -38.5613 -38.5613 -38.5609 -38.5609 -16.0805 -16.0805 -12.6501 -12.6501 -12.6497 -12.6497 -12.6342 -12.6342 -2.9944 -2.9944 -1.3481 -1.3481 -1.3293 -1.3293 -1.3248 -1.3248 2.8595 2.8595 2.9050 2.9050 2.9203 2.9203 4.0827 4.0827 4.0920 4.0920 5.2536 5.2536 5.2672 5.2672 5.3315 5.3315 10.3765 10.3765 12.8553 12.8553 12.9073 12.9073 12.9089 12.9089 k = 0.5000 0.5000 0.4359 ( 7760 PWs) bands (ev): -38.6049 -38.6049 -38.5613 -38.5613 -38.5613 -38.5613 -38.5610 -38.5610 -16.0787 -16.0787 -12.6503 -12.6503 -12.6499 -12.6499 -12.6391 -12.6391 -2.9947 -2.9947 -1.3481 -1.3481 -1.3354 -1.3354 -1.3307 -1.3307 2.8752 2.8752 2.9110 2.9110 2.9244 2.9244 4.0865 4.0865 4.0937 4.0937 5.2703 5.2703 5.2842 5.2842 5.3281 5.3281 10.3717 10.3717 12.8387 12.8387 12.8752 12.8752 12.8769 12.8769 k = 0.5000 0.5000 0.4487 ( 7760 PWs) bands (ev): -38.6048 -38.6048 -38.5613 -38.5613 -38.5613 -38.5613 -38.5611 -38.5611 -16.0771 -16.0771 -12.6504 -12.6504 -12.6501 -12.6501 -12.6432 -12.6432 -2.9949 -2.9949 -1.3482 -1.3482 -1.3404 -1.3404 -1.3355 -1.3355 2.8873 2.8873 2.9171 2.9171 2.9278 2.9278 4.0897 4.0897 4.0946 4.0946 5.2838 5.2838 5.2985 5.2985 5.3256 5.3256 10.3676 10.3676 12.8253 12.8253 12.8488 12.8488 12.8504 12.8504 k = 0.5000 0.5000 0.4615 ( 7760 PWs) bands (ev): -38.6047 -38.6047 -38.5613 -38.5613 -38.5613 -38.5613 -38.5612 -38.5612 -16.0759 -16.0759 -12.6506 -12.6506 -12.6502 -12.6502 -12.6464 -12.6464 -2.9950 -2.9950 -1.3484 -1.3484 -1.3443 -1.3443 -1.3391 -1.3391 2.8956 2.8956 2.9232 2.9232 2.9304 2.9304 4.0922 4.0922 4.0952 4.0952 5.2941 5.2941 5.3097 5.3097 5.3241 5.3241 10.3645 10.3645 12.8149 12.8149 12.8280 12.8280 12.8296 12.8296 k = 0.5000 0.5000 0.4744 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5612 -38.5612 -16.0750 -16.0750 -12.6507 -12.6507 -12.6502 -12.6502 -12.6486 -12.6486 -2.9951 -2.9951 -1.3488 -1.3488 -1.3471 -1.3471 -1.3415 -1.3415 2.9007 2.9007 2.9287 2.9287 2.9322 2.9322 4.0940 4.0940 4.0954 4.0954 5.3008 5.3008 5.3177 5.3177 5.3237 5.3237 10.3622 10.3622 12.8075 12.8075 12.8133 12.8133 12.8147 12.8147 k = 0.5000 0.5000 0.4872 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0745 -16.0745 -12.6508 -12.6508 -12.6503 -12.6503 -12.6499 -12.6499 -2.9952 -2.9952 -1.3492 -1.3492 -1.3488 -1.3488 -1.3427 -1.3427 2.9034 2.9034 2.9324 2.9324 2.9334 2.9334 4.0951 4.0951 4.0954 4.0954 5.3043 5.3043 5.3226 5.3226 5.3240 5.3240 10.3608 10.3608 12.8024 12.8024 12.8050 12.8050 12.8057 12.8057 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -38.6046 -38.6046 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -38.5613 -16.0743 -16.0743 -12.6509 -12.6509 -12.6503 -12.6503 -12.6503 -12.6503 -2.9952 -2.9952 -1.3494 -1.3494 -1.3494 -1.3494 -1.3431 -1.3431 2.9043 2.9043 2.9337 2.9337 2.9337 2.9337 4.0954 4.0954 4.0954 4.0954 5.3053 5.3053 5.3243 5.3243 5.3243 5.3243 10.3603 10.3603 12.8002 12.8002 12.8028 12.8028 12.8028 12.8028 Writing output data file Li4CO4.save init_run : 1.68s CPU 11.89s WALL ( 1 calls) electrons : 812.00s CPU 822.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.37s CPU 1.28s WALL ( 1 calls) Called by electrons: c_bands : 811.97s CPU 821.97s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.58s WALL ( 1 calls) newd : 0.36s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.15s WALL ( 303 calls) cegterg : 748.04s CPU 754.30s WALL ( 690 calls) Called by sum_band: Called by *egterg: h_psi : 440.07s CPU 448.04s WALL ( 11990 calls) s_psi : 23.00s CPU 23.29s WALL ( 11990 calls) g_psi : 1.12s CPU 1.13s WALL ( 10997 calls) cdiaghg : 194.86s CPU 192.59s WALL ( 11300 calls) cegterg:over : 63.56s CPU 60.09s WALL ( 10997 calls) cegterg:upda : 18.93s CPU 22.55s WALL ( 10997 calls) cegterg:last : 15.40s CPU 16.24s WALL ( 2000 calls) Called by h_psi: h_psi:vloc : 379.72s CPU 385.55s WALL ( 11990 calls) h_psi:vnl : 59.77s CPU 61.24s WALL ( 11990 calls) add_vuspsi : 16.42s CPU 20.67s WALL ( 11990 calls) General routines calbec : 43.30s CPU 40.46s WALL ( 11990 calls) fft : 0.44s CPU 1.24s WALL ( 15 calls) fftw : 364.39s CPU 369.37s WALL ( 1161024 calls) davcio : 0.02s CPU 2.69s WALL ( 606 calls) Parallel routines fft_scatter : 213.81s CPU 213.95s WALL ( 1161039 calls) PWSCF : 14m42.52s CPU 17m18.62s WALL This run was terminated on: 4:13:45 6Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=