Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 24 7 785 344 61 Max 42 25 8 790 353 64 Sum 1489 877 277 28317 12521 2233 bravais-lattice index = 14 lattice parameter (alat) = 7.6421 a.u. unit-cell volume = 289.0376 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.642052 celldm(2)= 1.000000 celldm(3)= 0.647626 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 0.647626 ) 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 1.544101 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 8 Sym. Ops., with inversion, found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 455 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0021978 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0021978 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0021978 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0021978 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0021978 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0021978 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0021978 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0021978 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0021978 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0021978 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0021978 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0021978 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021978 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0021978 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0021978 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0021978 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0021978 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0021978 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0021978 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0021978 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0021978 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0021978 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0021978 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0021978 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0021978 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0021978 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0021978 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0021978 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0021978 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0021978 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0021978 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0021978 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0021978 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0021978 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0021978 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0021978 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0021978 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0021978 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0021978 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0021978 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0021978 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0021978 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0021978 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0021978 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0021978 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0021978 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0021978 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0021978 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0021978 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0021978 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0021978 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0021978 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0021978 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0021978 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0021978 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0021978 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0021978 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0021978 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0021978 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0021978 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0021978 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0021978 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0021978 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0021978 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0021978 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0021978 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0021978 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0021978 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0021978 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0021978 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0021978 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0021978 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0021978 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0021978 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0021978 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0021978 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0021978 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0021978 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0021978 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0021978 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0021978 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0021978 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0021978 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0021978 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0021978 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0021978 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021978 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0021978 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0021978 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0021978 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0021978 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0021978 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0021978 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0021978 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0021978 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0021978 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0021978 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021978 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0021978 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0021978 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0021978 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0021978 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0021978 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0021978 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0021978 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0021978 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0021978 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0021978 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021978 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0021978 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0021978 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0021978 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0021978 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0021978 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0021978 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0021978 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0021978 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0021978 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0021978 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021978 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0021978 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0021978 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0021978 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0021978 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0021978 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0021978 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0021978 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0021978 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0021978 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0021978 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 138) = ( 0.0000000 0.0000000 0.0128675), wk = 0.0021978 k( 139) = ( 0.0000000 0.0000000 0.0257350), wk = 0.0021978 k( 140) = ( 0.0000000 0.0000000 0.0386025), wk = 0.0021978 k( 141) = ( 0.0000000 0.0000000 0.0514700), wk = 0.0021978 k( 142) = ( 0.0000000 0.0000000 0.0643375), wk = 0.0021978 k( 143) = ( 0.0000000 0.0000000 0.0772050), wk = 0.0021978 k( 144) = ( 0.0000000 0.0000000 0.0900725), wk = 0.0021978 k( 145) = ( 0.0000000 0.0000000 0.1029401), wk = 0.0021978 k( 146) = ( 0.0000000 0.0000000 0.1158076), wk = 0.0021978 k( 147) = ( 0.0000000 0.0000000 0.1286751), wk = 0.0021978 k( 148) = ( 0.0000000 0.0000000 0.1415426), wk = 0.0021978 k( 149) = ( 0.0000000 0.0000000 0.1544101), wk = 0.0021978 k( 150) = ( 0.0000000 0.0000000 0.1672776), wk = 0.0021978 k( 151) = ( 0.0000000 0.0000000 0.1801451), wk = 0.0021978 k( 152) = ( 0.0000000 0.0000000 0.1930126), wk = 0.0021978 k( 153) = ( 0.0000000 0.0000000 0.2058801), wk = 0.0021978 k( 154) = ( 0.0000000 0.0000000 0.2187476), wk = 0.0021978 k( 155) = ( 0.0000000 0.0000000 0.2316151), wk = 0.0021978 k( 156) = ( 0.0000000 0.0000000 0.2444826), wk = 0.0021978 k( 157) = ( 0.0000000 0.0000000 0.2573501), wk = 0.0021978 k( 158) = ( 0.0000000 0.0000000 0.2702176), wk = 0.0021978 k( 159) = ( 0.0000000 0.0000000 0.2830851), wk = 0.0021978 k( 160) = ( 0.0000000 0.0000000 0.2959527), wk = 0.0021978 k( 161) = ( 0.0000000 0.0000000 0.3088202), wk = 0.0021978 k( 162) = ( 0.0000000 0.0000000 0.3216877), wk = 0.0021978 k( 163) = ( 0.0000000 0.0000000 0.3345552), wk = 0.0021978 k( 164) = ( 0.0000000 0.0000000 0.3474227), wk = 0.0021978 k( 165) = ( 0.0000000 0.0000000 0.3602902), wk = 0.0021978 k( 166) = ( 0.0000000 0.0000000 0.3731577), wk = 0.0021978 k( 167) = ( 0.0000000 0.0000000 0.3860252), wk = 0.0021978 k( 168) = ( 0.0000000 0.0000000 0.3988927), wk = 0.0021978 k( 169) = ( 0.0000000 0.0000000 0.4117602), wk = 0.0021978 k( 170) = ( 0.0000000 0.0000000 0.4246277), wk = 0.0021978 k( 171) = ( 0.0000000 0.0000000 0.4374952), wk = 0.0021978 k( 172) = ( 0.0000000 0.0000000 0.4503627), wk = 0.0021978 k( 173) = ( 0.0000000 0.0000000 0.4632302), wk = 0.0021978 k( 174) = ( 0.0000000 0.0000000 0.4760977), wk = 0.0021978 k( 175) = ( 0.0000000 0.0000000 0.4889653), wk = 0.0021978 k( 176) = ( 0.0000000 0.0000000 0.5018328), wk = 0.0021978 k( 177) = ( 0.0000000 0.0000000 0.5147003), wk = 0.0021978 k( 178) = ( 0.0000000 0.0000000 0.5275678), wk = 0.0021978 k( 179) = ( 0.0000000 0.0000000 0.5404353), wk = 0.0021978 k( 180) = ( 0.0000000 0.0000000 0.5533028), wk = 0.0021978 k( 181) = ( 0.0000000 0.0000000 0.5661703), wk = 0.0021978 k( 182) = ( 0.0000000 0.0000000 0.5790378), wk = 0.0021978 k( 183) = ( 0.0000000 0.0000000 0.5919053), wk = 0.0021978 k( 184) = ( 0.0000000 0.0000000 0.6047728), wk = 0.0021978 k( 185) = ( 0.0000000 0.0000000 0.6176403), wk = 0.0021978 k( 186) = ( 0.0000000 0.0000000 0.6305078), wk = 0.0021978 k( 187) = ( 0.0000000 0.0000000 0.6433753), wk = 0.0021978 k( 188) = ( 0.0000000 0.0000000 0.6562428), wk = 0.0021978 k( 189) = ( 0.0000000 0.0000000 0.6691103), wk = 0.0021978 k( 190) = ( 0.0000000 0.0000000 0.6819779), wk = 0.0021978 k( 191) = ( 0.0000000 0.0000000 0.6948454), wk = 0.0021978 k( 192) = ( 0.0000000 0.0000000 0.7077129), wk = 0.0021978 k( 193) = ( 0.0000000 0.0000000 0.7205804), wk = 0.0021978 k( 194) = ( 0.0000000 0.0000000 0.7334479), wk = 0.0021978 k( 195) = ( 0.0000000 0.0000000 0.7463154), wk = 0.0021978 k( 196) = ( 0.0000000 0.0000000 0.7591829), wk = 0.0021978 k( 197) = ( 0.0000000 0.0000000 0.7720504), wk = 0.0021978 k( 198) = ( 0.0000000 0.0000000 0.7720504), wk = 0.0021978 k( 199) = ( 0.0000000 0.0128205 0.7720504), wk = 0.0021978 k( 200) = ( 0.0000000 0.0256410 0.7720504), wk = 0.0021978 k( 201) = ( 0.0000000 0.0384615 0.7720504), wk = 0.0021978 k( 202) = ( 0.0000000 0.0512821 0.7720504), wk = 0.0021978 k( 203) = ( 0.0000000 0.0641026 0.7720504), wk = 0.0021978 k( 204) = ( 0.0000000 0.0769231 0.7720504), wk = 0.0021978 k( 205) = ( 0.0000000 0.0897436 0.7720504), wk = 0.0021978 k( 206) = ( 0.0000000 0.1025641 0.7720504), wk = 0.0021978 k( 207) = ( 0.0000000 0.1153846 0.7720504), wk = 0.0021978 k( 208) = ( 0.0000000 0.1282051 0.7720504), wk = 0.0021978 k( 209) = ( 0.0000000 0.1410256 0.7720504), wk = 0.0021978 k( 210) = ( 0.0000000 0.1538461 0.7720504), wk = 0.0021978 k( 211) = ( 0.0000000 0.1666667 0.7720504), wk = 0.0021978 k( 212) = ( 0.0000000 0.1794872 0.7720504), wk = 0.0021978 k( 213) = ( 0.0000000 0.1923077 0.7720504), wk = 0.0021978 k( 214) = ( 0.0000000 0.2051282 0.7720504), wk = 0.0021978 k( 215) = ( 0.0000000 0.2179487 0.7720504), wk = 0.0021978 k( 216) = ( 0.0000000 0.2307692 0.7720504), wk = 0.0021978 k( 217) = ( 0.0000000 0.2435897 0.7720504), wk = 0.0021978 k( 218) = ( 0.0000000 0.2564103 0.7720504), wk = 0.0021978 k( 219) = ( 0.0000000 0.2692308 0.7720504), wk = 0.0021978 k( 220) = ( 0.0000000 0.2820513 0.7720504), wk = 0.0021978 k( 221) = ( 0.0000000 0.2948718 0.7720504), wk = 0.0021978 k( 222) = ( 0.0000000 0.3076923 0.7720504), wk = 0.0021978 k( 223) = ( 0.0000000 0.3205128 0.7720504), wk = 0.0021978 k( 224) = ( 0.0000000 0.3333333 0.7720504), wk = 0.0021978 k( 225) = ( 0.0000000 0.3461538 0.7720504), wk = 0.0021978 k( 226) = ( 0.0000000 0.3589744 0.7720504), wk = 0.0021978 k( 227) = ( 0.0000000 0.3717949 0.7720504), wk = 0.0021978 k( 228) = ( 0.0000000 0.3846154 0.7720504), wk = 0.0021978 k( 229) = ( 0.0000000 0.3974359 0.7720504), wk = 0.0021978 k( 230) = ( 0.0000000 0.4102564 0.7720504), wk = 0.0021978 k( 231) = ( 0.0000000 0.4230769 0.7720504), wk = 0.0021978 k( 232) = ( 0.0000000 0.4358974 0.7720504), wk = 0.0021978 k( 233) = ( 0.0000000 0.4487179 0.7720504), wk = 0.0021978 k( 234) = ( 0.0000000 0.4615385 0.7720504), wk = 0.0021978 k( 235) = ( 0.0000000 0.4743590 0.7720504), wk = 0.0021978 k( 236) = ( 0.0000000 0.4871795 0.7720504), wk = 0.0021978 k( 237) = ( 0.0000000 0.5000000 0.7720504), wk = 0.0021978 k( 238) = ( 0.0000000 0.5000000 0.7720504), wk = 0.0021978 k( 239) = ( 0.0128205 0.5000000 0.7720504), wk = 0.0021978 k( 240) = ( 0.0256410 0.5000000 0.7720504), wk = 0.0021978 k( 241) = ( 0.0384615 0.5000000 0.7720504), wk = 0.0021978 k( 242) = ( 0.0512821 0.5000000 0.7720504), wk = 0.0021978 k( 243) = ( 0.0641026 0.5000000 0.7720504), wk = 0.0021978 k( 244) = ( 0.0769231 0.5000000 0.7720504), wk = 0.0021978 k( 245) = ( 0.0897436 0.5000000 0.7720504), wk = 0.0021978 k( 246) = ( 0.1025641 0.5000000 0.7720504), wk = 0.0021978 k( 247) = ( 0.1153846 0.5000000 0.7720504), wk = 0.0021978 k( 248) = ( 0.1282051 0.5000000 0.7720504), wk = 0.0021978 k( 249) = ( 0.1410256 0.5000000 0.7720504), wk = 0.0021978 k( 250) = ( 0.1538461 0.5000000 0.7720504), wk = 0.0021978 k( 251) = ( 0.1666667 0.5000000 0.7720504), wk = 0.0021978 k( 252) = ( 0.1794872 0.5000000 0.7720504), wk = 0.0021978 k( 253) = ( 0.1923077 0.5000000 0.7720504), wk = 0.0021978 k( 254) = ( 0.2051282 0.5000000 0.7720504), wk = 0.0021978 k( 255) = ( 0.2179487 0.5000000 0.7720504), wk = 0.0021978 k( 256) = ( 0.2307692 0.5000000 0.7720504), wk = 0.0021978 k( 257) = ( 0.2435897 0.5000000 0.7720504), wk = 0.0021978 k( 258) = ( 0.2564103 0.5000000 0.7720504), wk = 0.0021978 k( 259) = ( 0.2692308 0.5000000 0.7720504), wk = 0.0021978 k( 260) = ( 0.2820513 0.5000000 0.7720504), wk = 0.0021978 k( 261) = ( 0.2948718 0.5000000 0.7720504), wk = 0.0021978 k( 262) = ( 0.3076923 0.5000000 0.7720504), wk = 0.0021978 k( 263) = ( 0.3205128 0.5000000 0.7720504), wk = 0.0021978 k( 264) = ( 0.3333333 0.5000000 0.7720504), wk = 0.0021978 k( 265) = ( 0.3461538 0.5000000 0.7720504), wk = 0.0021978 k( 266) = ( 0.3589744 0.5000000 0.7720504), wk = 0.0021978 k( 267) = ( 0.3717949 0.5000000 0.7720504), wk = 0.0021978 k( 268) = ( 0.3846154 0.5000000 0.7720504), wk = 0.0021978 k( 269) = ( 0.3974359 0.5000000 0.7720504), wk = 0.0021978 k( 270) = ( 0.4102564 0.5000000 0.7720504), wk = 0.0021978 k( 271) = ( 0.4230769 0.5000000 0.7720504), wk = 0.0021978 k( 272) = ( 0.4358974 0.5000000 0.7720504), wk = 0.0021978 k( 273) = ( 0.4487179 0.5000000 0.7720504), wk = 0.0021978 k( 274) = ( 0.4615385 0.5000000 0.7720504), wk = 0.0021978 k( 275) = ( 0.4743590 0.5000000 0.7720504), wk = 0.0021978 k( 276) = ( 0.4871795 0.5000000 0.7720504), wk = 0.0021978 k( 277) = ( 0.5000000 0.5000000 0.7720504), wk = 0.0021978 k( 278) = ( 0.5000000 0.5000000 0.7720504), wk = 0.0021978 k( 279) = ( 0.4909091 0.4909091 0.7720504), wk = 0.0021978 k( 280) = ( 0.4818182 0.4818182 0.7720504), wk = 0.0021978 k( 281) = ( 0.4727273 0.4727273 0.7720504), wk = 0.0021978 k( 282) = ( 0.4636364 0.4636364 0.7720504), wk = 0.0021978 k( 283) = ( 0.4545455 0.4545454 0.7720504), wk = 0.0021978 k( 284) = ( 0.4454546 0.4454545 0.7720504), wk = 0.0021978 k( 285) = ( 0.4363636 0.4363636 0.7720504), wk = 0.0021978 k( 286) = ( 0.4272727 0.4272727 0.7720504), wk = 0.0021978 k( 287) = ( 0.4181818 0.4181818 0.7720504), wk = 0.0021978 k( 288) = ( 0.4090909 0.4090909 0.7720504), wk = 0.0021978 k( 289) = ( 0.4000000 0.4000000 0.7720504), wk = 0.0021978 k( 290) = ( 0.3909091 0.3909091 0.7720504), wk = 0.0021978 k( 291) = ( 0.3818182 0.3818182 0.7720504), wk = 0.0021978 k( 292) = ( 0.3727273 0.3727273 0.7720504), wk = 0.0021978 k( 293) = ( 0.3636364 0.3636364 0.7720504), wk = 0.0021978 k( 294) = ( 0.3545454 0.3545454 0.7720504), wk = 0.0021978 k( 295) = ( 0.3454546 0.3454545 0.7720504), wk = 0.0021978 k( 296) = ( 0.3363636 0.3363636 0.7720504), wk = 0.0021978 k( 297) = ( 0.3272727 0.3272727 0.7720504), wk = 0.0021978 k( 298) = ( 0.3181818 0.3181818 0.7720504), wk = 0.0021978 k( 299) = ( 0.3090909 0.3090909 0.7720504), wk = 0.0021978 k( 300) = ( 0.3000000 0.3000000 0.7720504), wk = 0.0021978 k( 301) = ( 0.2909091 0.2909091 0.7720504), wk = 0.0021978 k( 302) = ( 0.2818182 0.2818182 0.7720504), wk = 0.0021978 k( 303) = ( 0.2727273 0.2727273 0.7720504), wk = 0.0021978 k( 304) = ( 0.2636364 0.2636364 0.7720504), wk = 0.0021978 k( 305) = ( 0.2545455 0.2545455 0.7720504), wk = 0.0021978 k( 306) = ( 0.2454545 0.2454545 0.7720504), wk = 0.0021978 k( 307) = ( 0.2363636 0.2363636 0.7720504), wk = 0.0021978 k( 308) = ( 0.2272727 0.2272727 0.7720504), wk = 0.0021978 k( 309) = ( 0.2181818 0.2181818 0.7720504), wk = 0.0021978 k( 310) = ( 0.2090909 0.2090909 0.7720504), wk = 0.0021978 k( 311) = ( 0.2000000 0.2000000 0.7720504), wk = 0.0021978 k( 312) = ( 0.1909091 0.1909091 0.7720504), wk = 0.0021978 k( 313) = ( 0.1818182 0.1818182 0.7720504), wk = 0.0021978 k( 314) = ( 0.1727273 0.1727273 0.7720504), wk = 0.0021978 k( 315) = ( 0.1636364 0.1636364 0.7720504), wk = 0.0021978 k( 316) = ( 0.1545455 0.1545454 0.7720504), wk = 0.0021978 k( 317) = ( 0.1454545 0.1454545 0.7720504), wk = 0.0021978 k( 318) = ( 0.1363636 0.1363636 0.7720504), wk = 0.0021978 k( 319) = ( 0.1272727 0.1272727 0.7720504), wk = 0.0021978 k( 320) = ( 0.1181818 0.1181818 0.7720504), wk = 0.0021978 k( 321) = ( 0.1090909 0.1090909 0.7720504), wk = 0.0021978 k( 322) = ( 0.1000000 0.1000000 0.7720504), wk = 0.0021978 k( 323) = ( 0.0909091 0.0909091 0.7720504), wk = 0.0021978 k( 324) = ( 0.0818182 0.0818182 0.7720504), wk = 0.0021978 k( 325) = ( 0.0727273 0.0727273 0.7720504), wk = 0.0021978 k( 326) = ( 0.0636364 0.0636364 0.7720504), wk = 0.0021978 k( 327) = ( 0.0545455 0.0545454 0.7720504), wk = 0.0021978 k( 328) = ( 0.0454546 0.0454545 0.7720504), wk = 0.0021978 k( 329) = ( 0.0363636 0.0363636 0.7720504), wk = 0.0021978 k( 330) = ( 0.0272727 0.0272727 0.7720504), wk = 0.0021978 k( 331) = ( 0.0181818 0.0181818 0.7720504), wk = 0.0021978 k( 332) = ( 0.0090909 0.0090909 0.7720504), wk = 0.0021978 k( 333) = ( 0.0000000 0.0000000 0.7720504), wk = 0.0021978 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 335) = ( 0.0000000 0.5000000 0.0128675), wk = 0.0021978 k( 336) = ( 0.0000000 0.5000000 0.0257350), wk = 0.0021978 k( 337) = ( 0.0000000 0.5000000 0.0386025), wk = 0.0021978 k( 338) = ( 0.0000000 0.5000000 0.0514700), wk = 0.0021978 k( 339) = ( 0.0000000 0.5000000 0.0643375), wk = 0.0021978 k( 340) = ( 0.0000000 0.5000000 0.0772050), wk = 0.0021978 k( 341) = ( 0.0000000 0.5000000 0.0900725), wk = 0.0021978 k( 342) = ( 0.0000000 0.5000000 0.1029401), wk = 0.0021978 k( 343) = ( 0.0000000 0.5000000 0.1158076), wk = 0.0021978 k( 344) = ( 0.0000000 0.5000000 0.1286751), wk = 0.0021978 k( 345) = ( 0.0000000 0.5000000 0.1415426), wk = 0.0021978 k( 346) = ( 0.0000000 0.5000000 0.1544101), wk = 0.0021978 k( 347) = ( 0.0000000 0.5000000 0.1672776), wk = 0.0021978 k( 348) = ( 0.0000000 0.5000000 0.1801451), wk = 0.0021978 k( 349) = ( 0.0000000 0.5000000 0.1930126), wk = 0.0021978 k( 350) = ( 0.0000000 0.5000000 0.2058801), wk = 0.0021978 k( 351) = ( 0.0000000 0.5000000 0.2187476), wk = 0.0021978 k( 352) = ( 0.0000000 0.5000000 0.2316151), wk = 0.0021978 k( 353) = ( 0.0000000 0.5000000 0.2444826), wk = 0.0021978 k( 354) = ( 0.0000000 0.5000000 0.2573501), wk = 0.0021978 k( 355) = ( 0.0000000 0.5000000 0.2702176), wk = 0.0021978 k( 356) = ( 0.0000000 0.5000000 0.2830851), wk = 0.0021978 k( 357) = ( 0.0000000 0.5000000 0.2959527), wk = 0.0021978 k( 358) = ( 0.0000000 0.5000000 0.3088202), wk = 0.0021978 k( 359) = ( 0.0000000 0.5000000 0.3216877), wk = 0.0021978 k( 360) = ( 0.0000000 0.5000000 0.3345552), wk = 0.0021978 k( 361) = ( 0.0000000 0.5000000 0.3474227), wk = 0.0021978 k( 362) = ( 0.0000000 0.5000000 0.3602902), wk = 0.0021978 k( 363) = ( 0.0000000 0.5000000 0.3731577), wk = 0.0021978 k( 364) = ( 0.0000000 0.5000000 0.3860252), wk = 0.0021978 k( 365) = ( 0.0000000 0.5000000 0.3988927), wk = 0.0021978 k( 366) = ( 0.0000000 0.5000000 0.4117602), wk = 0.0021978 k( 367) = ( 0.0000000 0.5000000 0.4246277), wk = 0.0021978 k( 368) = ( 0.0000000 0.5000000 0.4374952), wk = 0.0021978 k( 369) = ( 0.0000000 0.5000000 0.4503627), wk = 0.0021978 k( 370) = ( 0.0000000 0.5000000 0.4632302), wk = 0.0021978 k( 371) = ( 0.0000000 0.5000000 0.4760977), wk = 0.0021978 k( 372) = ( 0.0000000 0.5000000 0.4889653), wk = 0.0021978 k( 373) = ( 0.0000000 0.5000000 0.5018328), wk = 0.0021978 k( 374) = ( 0.0000000 0.5000000 0.5147003), wk = 0.0021978 k( 375) = ( 0.0000000 0.5000000 0.5275678), wk = 0.0021978 k( 376) = ( 0.0000000 0.5000000 0.5404353), wk = 0.0021978 k( 377) = ( 0.0000000 0.5000000 0.5533028), wk = 0.0021978 k( 378) = ( 0.0000000 0.5000000 0.5661703), wk = 0.0021978 k( 379) = ( 0.0000000 0.5000000 0.5790378), wk = 0.0021978 k( 380) = ( 0.0000000 0.5000000 0.5919053), wk = 0.0021978 k( 381) = ( 0.0000000 0.5000000 0.6047728), wk = 0.0021978 k( 382) = ( 0.0000000 0.5000000 0.6176403), wk = 0.0021978 k( 383) = ( 0.0000000 0.5000000 0.6305078), wk = 0.0021978 k( 384) = ( 0.0000000 0.5000000 0.6433753), wk = 0.0021978 k( 385) = ( 0.0000000 0.5000000 0.6562428), wk = 0.0021978 k( 386) = ( 0.0000000 0.5000000 0.6691103), wk = 0.0021978 k( 387) = ( 0.0000000 0.5000000 0.6819779), wk = 0.0021978 k( 388) = ( 0.0000000 0.5000000 0.6948454), wk = 0.0021978 k( 389) = ( 0.0000000 0.5000000 0.7077129), wk = 0.0021978 k( 390) = ( 0.0000000 0.5000000 0.7205804), wk = 0.0021978 k( 391) = ( 0.0000000 0.5000000 0.7334479), wk = 0.0021978 k( 392) = ( 0.0000000 0.5000000 0.7463154), wk = 0.0021978 k( 393) = ( 0.0000000 0.5000000 0.7591829), wk = 0.0021978 k( 394) = ( 0.0000000 0.5000000 0.7720504), wk = 0.0021978 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 396) = ( 0.5000000 0.5000000 0.0128675), wk = 0.0021978 k( 397) = ( 0.5000000 0.5000000 0.0257350), wk = 0.0021978 k( 398) = ( 0.5000000 0.5000000 0.0386025), wk = 0.0021978 k( 399) = ( 0.5000000 0.5000000 0.0514700), wk = 0.0021978 k( 400) = ( 0.5000000 0.5000000 0.0643375), wk = 0.0021978 k( 401) = ( 0.5000000 0.5000000 0.0772050), wk = 0.0021978 k( 402) = ( 0.5000000 0.5000000 0.0900725), wk = 0.0021978 k( 403) = ( 0.5000000 0.5000000 0.1029401), wk = 0.0021978 k( 404) = ( 0.5000000 0.5000000 0.1158076), wk = 0.0021978 k( 405) = ( 0.5000000 0.5000000 0.1286751), wk = 0.0021978 k( 406) = ( 0.5000000 0.5000000 0.1415426), wk = 0.0021978 k( 407) = ( 0.5000000 0.5000000 0.1544101), wk = 0.0021978 k( 408) = ( 0.5000000 0.5000000 0.1672776), wk = 0.0021978 k( 409) = ( 0.5000000 0.5000000 0.1801451), wk = 0.0021978 k( 410) = ( 0.5000000 0.5000000 0.1930126), wk = 0.0021978 k( 411) = ( 0.5000000 0.5000000 0.2058801), wk = 0.0021978 k( 412) = ( 0.5000000 0.5000000 0.2187476), wk = 0.0021978 k( 413) = ( 0.5000000 0.5000000 0.2316151), wk = 0.0021978 k( 414) = ( 0.5000000 0.5000000 0.2444826), wk = 0.0021978 k( 415) = ( 0.5000000 0.5000000 0.2573501), wk = 0.0021978 k( 416) = ( 0.5000000 0.5000000 0.2702176), wk = 0.0021978 k( 417) = ( 0.5000000 0.5000000 0.2830851), wk = 0.0021978 k( 418) = ( 0.5000000 0.5000000 0.2959527), wk = 0.0021978 k( 419) = ( 0.5000000 0.5000000 0.3088202), wk = 0.0021978 k( 420) = ( 0.5000000 0.5000000 0.3216877), wk = 0.0021978 k( 421) = ( 0.5000000 0.5000000 0.3345552), wk = 0.0021978 k( 422) = ( 0.5000000 0.5000000 0.3474227), wk = 0.0021978 k( 423) = ( 0.5000000 0.5000000 0.3602902), wk = 0.0021978 k( 424) = ( 0.5000000 0.5000000 0.3731577), wk = 0.0021978 k( 425) = ( 0.5000000 0.5000000 0.3860252), wk = 0.0021978 k( 426) = ( 0.5000000 0.5000000 0.3988927), wk = 0.0021978 k( 427) = ( 0.5000000 0.5000000 0.4117602), wk = 0.0021978 k( 428) = ( 0.5000000 0.5000000 0.4246277), wk = 0.0021978 k( 429) = ( 0.5000000 0.5000000 0.4374952), wk = 0.0021978 k( 430) = ( 0.5000000 0.5000000 0.4503627), wk = 0.0021978 k( 431) = ( 0.5000000 0.5000000 0.4632302), wk = 0.0021978 k( 432) = ( 0.5000000 0.5000000 0.4760977), wk = 0.0021978 k( 433) = ( 0.5000000 0.5000000 0.4889653), wk = 0.0021978 k( 434) = ( 0.5000000 0.5000000 0.5018328), wk = 0.0021978 k( 435) = ( 0.5000000 0.5000000 0.5147003), wk = 0.0021978 k( 436) = ( 0.5000000 0.5000000 0.5275678), wk = 0.0021978 k( 437) = ( 0.5000000 0.5000000 0.5404353), wk = 0.0021978 k( 438) = ( 0.5000000 0.5000000 0.5533028), wk = 0.0021978 k( 439) = ( 0.5000000 0.5000000 0.5661703), wk = 0.0021978 k( 440) = ( 0.5000000 0.5000000 0.5790378), wk = 0.0021978 k( 441) = ( 0.5000000 0.5000000 0.5919053), wk = 0.0021978 k( 442) = ( 0.5000000 0.5000000 0.6047728), wk = 0.0021978 k( 443) = ( 0.5000000 0.5000000 0.6176403), wk = 0.0021978 k( 444) = ( 0.5000000 0.5000000 0.6305078), wk = 0.0021978 k( 445) = ( 0.5000000 0.5000000 0.6433753), wk = 0.0021978 k( 446) = ( 0.5000000 0.5000000 0.6562428), wk = 0.0021978 k( 447) = ( 0.5000000 0.5000000 0.6691103), wk = 0.0021978 k( 448) = ( 0.5000000 0.5000000 0.6819779), wk = 0.0021978 k( 449) = ( 0.5000000 0.5000000 0.6948454), wk = 0.0021978 k( 450) = ( 0.5000000 0.5000000 0.7077129), wk = 0.0021978 k( 451) = ( 0.5000000 0.5000000 0.7205804), wk = 0.0021978 k( 452) = ( 0.5000000 0.5000000 0.7334479), wk = 0.0021978 k( 453) = ( 0.5000000 0.5000000 0.7463154), wk = 0.0021978 k( 454) = ( 0.5000000 0.5000000 0.7591829), wk = 0.0021978 k( 455) = ( 0.5000000 0.5000000 0.7720504), wk = 0.0021978 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0021978 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0021978 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0021978 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0021978 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0021978 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0021978 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0021978 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0021978 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0021978 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0021978 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0021978 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0021978 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021978 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0021978 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0021978 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0021978 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0021978 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0021978 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0021978 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0021978 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0021978 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0021978 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0021978 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0021978 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0021978 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021978 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0021978 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0021978 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0021978 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0021978 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0021978 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0021978 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0021978 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0021978 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0021978 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0021978 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0021978 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0021978 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0021978 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0021978 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0021978 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0021978 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0021978 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0021978 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0021978 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0021978 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0021978 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0021978 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0021978 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0021978 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0021978 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0021978 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0021978 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0021978 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0021978 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0021978 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0021978 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0021978 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0021978 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0021978 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0021978 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0021978 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0021978 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0021978 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0021978 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0021978 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0021978 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0021978 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0021978 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0021978 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0021978 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0021978 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0021978 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0021978 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0021978 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0021978 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0021978 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0021978 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0021978 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0021978 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0021978 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0021978 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0021978 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0021978 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0021978 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0021978 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0021978 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0021978 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0021978 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0021978 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0021978 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0021978 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0021978 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0021978 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0021978 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0021978 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0021978 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021978 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0021978 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0021978 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0021978 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0021978 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0021978 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0021978 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0021978 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0021978 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0021978 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0021978 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0021978 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0021978 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0021978 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0021978 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0021978 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0021978 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0021978 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0021978 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0021978 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0021978 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0021978 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0021978 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0021978 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0021978 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0021978 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0021978 k( 130) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0021978 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0021978 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0021978 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0021978 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0021978 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0021978 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 138) = ( 0.0000000 0.0000000 0.0083333), wk = 0.0021978 k( 139) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0021978 k( 140) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021978 k( 141) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0021978 k( 142) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0021978 k( 143) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021978 k( 144) = ( 0.0000000 0.0000000 0.0583333), wk = 0.0021978 k( 145) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0021978 k( 146) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021978 k( 147) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021978 k( 148) = ( 0.0000000 0.0000000 0.0916667), wk = 0.0021978 k( 149) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021978 k( 150) = ( 0.0000000 0.0000000 0.1083333), wk = 0.0021978 k( 151) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0021978 k( 152) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021978 k( 153) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0021978 k( 154) = ( 0.0000000 0.0000000 0.1416667), wk = 0.0021978 k( 155) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021978 k( 156) = ( 0.0000000 0.0000000 0.1583333), wk = 0.0021978 k( 157) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021978 k( 158) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021978 k( 159) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0021978 k( 160) = ( 0.0000000 0.0000000 0.1916667), wk = 0.0021978 k( 161) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021978 k( 162) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0021978 k( 163) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0021978 k( 164) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021978 k( 165) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0021978 k( 166) = ( 0.0000000 0.0000000 0.2416667), wk = 0.0021978 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021978 k( 168) = ( 0.0000000 0.0000000 0.2583333), wk = 0.0021978 k( 169) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0021978 k( 170) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021978 k( 171) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0021978 k( 172) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0021978 k( 173) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021978 k( 174) = ( 0.0000000 0.0000000 0.3083333), wk = 0.0021978 k( 175) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0021978 k( 176) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021978 k( 177) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021978 k( 178) = ( 0.0000000 0.0000000 0.3416667), wk = 0.0021978 k( 179) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021978 k( 180) = ( 0.0000000 0.0000000 0.3583333), wk = 0.0021978 k( 181) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0021978 k( 182) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021978 k( 183) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0021978 k( 184) = ( 0.0000000 0.0000000 0.3916667), wk = 0.0021978 k( 185) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021978 k( 186) = ( 0.0000000 0.0000000 0.4083333), wk = 0.0021978 k( 187) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021978 k( 188) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021978 k( 189) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0021978 k( 190) = ( 0.0000000 0.0000000 0.4416667), wk = 0.0021978 k( 191) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021978 k( 192) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0021978 k( 193) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0021978 k( 194) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021978 k( 195) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0021978 k( 196) = ( 0.0000000 0.0000000 0.4916667), wk = 0.0021978 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021978 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021978 k( 199) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0021978 k( 200) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0021978 k( 201) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0021978 k( 202) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0021978 k( 203) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0021978 k( 204) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0021978 k( 205) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0021978 k( 206) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0021978 k( 207) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0021978 k( 208) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0021978 k( 209) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0021978 k( 210) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0021978 k( 211) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021978 k( 212) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0021978 k( 213) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0021978 k( 214) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0021978 k( 215) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0021978 k( 216) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0021978 k( 217) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0021978 k( 218) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0021978 k( 219) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0021978 k( 220) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0021978 k( 221) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0021978 k( 222) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0021978 k( 223) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0021978 k( 224) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021978 k( 225) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0021978 k( 226) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0021978 k( 227) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0021978 k( 228) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0021978 k( 229) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0021978 k( 230) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0021978 k( 231) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0021978 k( 232) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0021978 k( 233) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0021978 k( 234) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0021978 k( 235) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0021978 k( 236) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0021978 k( 237) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021978 k( 238) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021978 k( 239) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0021978 k( 240) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0021978 k( 241) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0021978 k( 242) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0021978 k( 243) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0021978 k( 244) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0021978 k( 245) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0021978 k( 246) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0021978 k( 247) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0021978 k( 248) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0021978 k( 249) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0021978 k( 250) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0021978 k( 251) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021978 k( 252) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0021978 k( 253) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0021978 k( 254) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0021978 k( 255) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0021978 k( 256) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0021978 k( 257) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0021978 k( 258) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0021978 k( 259) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0021978 k( 260) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0021978 k( 261) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0021978 k( 262) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0021978 k( 263) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0021978 k( 264) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021978 k( 265) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0021978 k( 266) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0021978 k( 267) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0021978 k( 268) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0021978 k( 269) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0021978 k( 270) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0021978 k( 271) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0021978 k( 272) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0021978 k( 273) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0021978 k( 274) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0021978 k( 275) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0021978 k( 276) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0021978 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 279) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0021978 k( 280) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0021978 k( 281) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0021978 k( 282) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0021978 k( 283) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0021978 k( 284) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0021978 k( 285) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0021978 k( 286) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0021978 k( 287) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0021978 k( 288) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0021978 k( 289) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0021978 k( 290) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0021978 k( 291) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0021978 k( 292) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0021978 k( 293) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0021978 k( 294) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0021978 k( 295) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0021978 k( 296) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0021978 k( 297) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0021978 k( 298) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0021978 k( 299) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0021978 k( 300) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0021978 k( 301) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0021978 k( 302) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0021978 k( 303) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0021978 k( 304) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0021978 k( 305) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0021978 k( 306) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0021978 k( 307) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0021978 k( 308) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0021978 k( 309) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0021978 k( 310) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0021978 k( 311) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021978 k( 312) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0021978 k( 313) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0021978 k( 314) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0021978 k( 315) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0021978 k( 316) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0021978 k( 317) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0021978 k( 318) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0021978 k( 319) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0021978 k( 320) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0021978 k( 321) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0021978 k( 322) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0021978 k( 323) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0021978 k( 324) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0021978 k( 325) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0021978 k( 326) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0021978 k( 327) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0021978 k( 328) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0021978 k( 329) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0021978 k( 330) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0021978 k( 331) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0021978 k( 332) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0021978 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021978 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021978 k( 335) = ( 0.0000000 0.5000000 0.0083333), wk = 0.0021978 k( 336) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0021978 k( 337) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021978 k( 338) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0021978 k( 339) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0021978 k( 340) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021978 k( 341) = ( 0.0000000 0.5000000 0.0583333), wk = 0.0021978 k( 342) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0021978 k( 343) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021978 k( 344) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0021978 k( 345) = ( 0.0000000 0.5000000 0.0916667), wk = 0.0021978 k( 346) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021978 k( 347) = ( 0.0000000 0.5000000 0.1083333), wk = 0.0021978 k( 348) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0021978 k( 349) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021978 k( 350) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0021978 k( 351) = ( 0.0000000 0.5000000 0.1416667), wk = 0.0021978 k( 352) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021978 k( 353) = ( 0.0000000 0.5000000 0.1583333), wk = 0.0021978 k( 354) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021978 k( 355) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021978 k( 356) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0021978 k( 357) = ( 0.0000000 0.5000000 0.1916667), wk = 0.0021978 k( 358) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021978 k( 359) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0021978 k( 360) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0021978 k( 361) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021978 k( 362) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0021978 k( 363) = ( 0.0000000 0.5000000 0.2416667), wk = 0.0021978 k( 364) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021978 k( 365) = ( 0.0000000 0.5000000 0.2583333), wk = 0.0021978 k( 366) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0021978 k( 367) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021978 k( 368) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0021978 k( 369) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0021978 k( 370) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021978 k( 371) = ( 0.0000000 0.5000000 0.3083333), wk = 0.0021978 k( 372) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0021978 k( 373) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021978 k( 374) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021978 k( 375) = ( 0.0000000 0.5000000 0.3416667), wk = 0.0021978 k( 376) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021978 k( 377) = ( 0.0000000 0.5000000 0.3583333), wk = 0.0021978 k( 378) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0021978 k( 379) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021978 k( 380) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0021978 k( 381) = ( 0.0000000 0.5000000 0.3916667), wk = 0.0021978 k( 382) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021978 k( 383) = ( 0.0000000 0.5000000 0.4083333), wk = 0.0021978 k( 384) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0021978 k( 385) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021978 k( 386) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0021978 k( 387) = ( 0.0000000 0.5000000 0.4416667), wk = 0.0021978 k( 388) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021978 k( 389) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0021978 k( 390) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0021978 k( 391) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021978 k( 392) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0021978 k( 393) = ( 0.0000000 0.5000000 0.4916667), wk = 0.0021978 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021978 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021978 k( 396) = ( 0.5000000 0.5000000 0.0083333), wk = 0.0021978 k( 397) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0021978 k( 398) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0021978 k( 399) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0021978 k( 400) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0021978 k( 401) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0021978 k( 402) = ( 0.5000000 0.5000000 0.0583333), wk = 0.0021978 k( 403) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0021978 k( 404) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0021978 k( 405) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0021978 k( 406) = ( 0.5000000 0.5000000 0.0916667), wk = 0.0021978 k( 407) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0021978 k( 408) = ( 0.5000000 0.5000000 0.1083333), wk = 0.0021978 k( 409) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0021978 k( 410) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0021978 k( 411) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0021978 k( 412) = ( 0.5000000 0.5000000 0.1416667), wk = 0.0021978 k( 413) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0021978 k( 414) = ( 0.5000000 0.5000000 0.1583333), wk = 0.0021978 k( 415) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0021978 k( 416) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0021978 k( 417) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0021978 k( 418) = ( 0.5000000 0.5000000 0.1916667), wk = 0.0021978 k( 419) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0021978 k( 420) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0021978 k( 421) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0021978 k( 422) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0021978 k( 423) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0021978 k( 424) = ( 0.5000000 0.5000000 0.2416667), wk = 0.0021978 k( 425) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021978 k( 426) = ( 0.5000000 0.5000000 0.2583333), wk = 0.0021978 k( 427) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0021978 k( 428) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0021978 k( 429) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0021978 k( 430) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0021978 k( 431) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0021978 k( 432) = ( 0.5000000 0.5000000 0.3083333), wk = 0.0021978 k( 433) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0021978 k( 434) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0021978 k( 435) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0021978 k( 436) = ( 0.5000000 0.5000000 0.3416667), wk = 0.0021978 k( 437) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0021978 k( 438) = ( 0.5000000 0.5000000 0.3583333), wk = 0.0021978 k( 439) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0021978 k( 440) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0021978 k( 441) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0021978 k( 442) = ( 0.5000000 0.5000000 0.3916667), wk = 0.0021978 k( 443) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0021978 k( 444) = ( 0.5000000 0.5000000 0.4083333), wk = 0.0021978 k( 445) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0021978 k( 446) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0021978 k( 447) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0021978 k( 448) = ( 0.5000000 0.5000000 0.4416667), wk = 0.0021978 k( 449) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0021978 k( 450) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0021978 k( 451) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0021978 k( 452) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0021978 k( 453) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0021978 k( 454) = ( 0.5000000 0.5000000 0.4916667), wk = 0.0021978 k( 455) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 Dense grid: 28317 G-vectors FFT dimensions: ( 45, 45, 30) Smooth grid: 12521 G-vectors FFT dimensions: ( 36, 36, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 100, 40) NL pseudopotentials 0.09 Mb ( 50, 124) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 787) G-vector shells 0.00 Mb ( 366) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 100, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 124, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.5 secs Computing kpt #: 25 total cpu time spent up to now is 6.7 secs Computing kpt #: 26 total cpu time spent up to now is 6.9 secs Computing kpt #: 27 total cpu time spent up to now is 7.1 secs Computing kpt #: 28 total cpu time spent up to now is 7.3 secs Computing kpt #: 29 total cpu time spent up to now is 7.5 secs Computing kpt #: 30 total cpu time spent up to now is 7.7 secs Computing kpt #: 31 total cpu time spent up to now is 7.9 secs Computing kpt #: 32 total cpu time spent up to now is 8.1 secs Computing kpt #: 33 total cpu time spent up to now is 8.3 secs Computing kpt #: 34 total cpu time spent up to now is 8.5 secs Computing kpt #: 35 total cpu time spent up to now is 8.7 secs Computing kpt #: 36 total cpu time spent up to now is 8.9 secs Computing kpt #: 37 total cpu time spent up to now is 9.2 secs Computing kpt #: 38 total cpu time spent up to now is 9.4 secs Computing kpt #: 39 total cpu time spent up to now is 9.6 secs Computing kpt #: 40 total cpu time spent up to now is 9.8 secs Computing kpt #: 41 total cpu time spent up to now is 10.0 secs Computing kpt #: 42 total cpu time spent up to now is 10.2 secs Computing kpt #: 43 total cpu time spent up to now is 10.5 secs Computing kpt #: 44 total cpu time spent up to now is 10.7 secs Computing kpt #: 45 total cpu time spent up to now is 10.9 secs Computing kpt #: 46 total cpu time spent up to now is 11.1 secs Computing kpt #: 47 total cpu time spent up to now is 11.4 secs Computing kpt #: 48 total cpu time spent up to now is 11.6 secs Computing kpt #: 49 total cpu time spent up to now is 11.8 secs Computing kpt #: 50 total cpu time spent up to now is 12.0 secs Computing kpt #: 51 total cpu time spent up to now is 12.2 secs Computing kpt #: 52 total cpu time spent up to now is 12.4 secs Computing kpt #: 53 total cpu time spent up to now is 12.6 secs Computing kpt #: 54 total cpu time spent up to now is 12.8 secs Computing kpt #: 55 total cpu time spent up to now is 13.1 secs Computing kpt #: 56 total cpu time spent up to now is 13.3 secs Computing kpt #: 57 total cpu time spent up to now is 13.5 secs Computing kpt #: 58 total cpu time spent up to now is 13.7 secs Computing kpt #: 59 total cpu time spent up to now is 13.9 secs Computing kpt #: 60 total cpu time spent up to now is 14.1 secs Computing kpt #: 61 total cpu time spent up to now is 14.3 secs Computing kpt #: 62 total cpu time spent up to now is 14.5 secs Computing kpt #: 63 total cpu time spent up to now is 14.7 secs Computing kpt #: 64 total cpu time spent up to now is 15.0 secs Computing kpt #: 65 total cpu time spent up to now is 15.2 secs Computing kpt #: 66 total cpu time spent up to now is 15.4 secs Computing kpt #: 67 total cpu time spent up to now is 15.6 secs Computing kpt #: 68 total cpu time spent up to now is 15.8 secs Computing kpt #: 69 total cpu time spent up to now is 16.0 secs Computing kpt #: 70 total cpu time spent up to now is 16.2 secs Computing kpt #: 71 total cpu time spent up to now is 16.4 secs Computing kpt #: 72 total cpu time spent up to now is 16.6 secs Computing kpt #: 73 total cpu time spent up to now is 16.8 secs Computing kpt #: 74 total cpu time spent up to now is 17.0 secs Computing kpt #: 75 total cpu time spent up to now is 17.1 secs Computing kpt #: 76 total cpu time spent up to now is 17.3 secs Computing kpt #: 77 total cpu time spent up to now is 17.5 secs Computing kpt #: 78 total cpu time spent up to now is 17.7 secs Computing kpt #: 79 total cpu time spent up to now is 17.9 secs Computing kpt #: 80 total cpu time spent up to now is 18.1 secs Computing kpt #: 81 total cpu time spent up to now is 18.3 secs Computing kpt #: 82 total cpu time spent up to now is 18.4 secs Computing kpt #: 83 total cpu time spent up to now is 18.6 secs Computing kpt #: 84 total cpu time spent up to now is 18.8 secs Computing kpt #: 85 total cpu time spent up to now is 19.0 secs Computing kpt #: 86 total cpu time spent up to now is 19.2 secs Computing kpt #: 87 total cpu time spent up to now is 19.4 secs Computing kpt #: 88 total cpu time spent up to now is 19.6 secs Computing kpt #: 89 total cpu time spent up to now is 19.8 secs Computing kpt #: 90 total cpu time spent up to now is 20.0 secs Computing kpt #: 91 total cpu time spent up to now is 20.2 secs Computing kpt #: 92 total cpu time spent up to now is 20.4 secs Computing kpt #: 93 total cpu time spent up to now is 20.6 secs Computing kpt #: 94 total cpu time spent up to now is 20.8 secs Computing kpt #: 95 total cpu time spent up to now is 21.0 secs Computing kpt #: 96 total cpu time spent up to now is 21.2 secs Computing kpt #: 97 total cpu time spent up to now is 21.4 secs Computing kpt #: 98 total cpu time spent up to now is 21.6 secs Computing kpt #: 99 total cpu time spent up to now is 21.8 secs Computing kpt #: 100 total cpu time spent up to now is 22.0 secs Computing kpt #: 101 total cpu time spent up to now is 22.2 secs Computing kpt #: 102 total cpu time spent up to now is 22.4 secs Computing kpt #: 103 total cpu time spent up to now is 22.6 secs Computing kpt #: 104 total cpu time spent up to now is 22.8 secs Computing kpt #: 105 total cpu time spent up to now is 23.0 secs Computing kpt #: 106 total cpu time spent up to now is 23.1 secs Computing kpt #: 107 total cpu time spent up to now is 23.3 secs Computing kpt #: 108 total cpu time spent up to now is 23.5 secs Computing kpt #: 109 total cpu time spent up to now is 23.7 secs Computing kpt #: 110 total cpu time spent up to now is 23.9 secs Computing kpt #: 111 total cpu time spent up to now is 24.1 secs Computing kpt #: 112 total cpu time spent up to now is 24.3 secs Computing kpt #: 113 total cpu time spent up to now is 24.5 secs Computing kpt #: 114 total cpu time spent up to now is 24.7 secs Computing kpt #: 115 total cpu time spent up to now is 24.9 secs Computing kpt #: 116 total cpu time spent up to now is 25.0 secs Computing kpt #: 117 total cpu time spent up to now is 25.2 secs Computing kpt #: 118 total cpu time spent up to now is 25.4 secs Computing kpt #: 119 total cpu time spent up to now is 25.6 secs Computing kpt #: 120 total cpu time spent up to now is 25.8 secs Computing kpt #: 121 total cpu time spent up to now is 26.0 secs Computing kpt #: 122 total cpu time spent up to now is 26.2 secs Computing kpt #: 123 total cpu time spent up to now is 26.4 secs Computing kpt #: 124 total cpu time spent up to now is 26.5 secs Computing kpt #: 125 total cpu time spent up to now is 26.7 secs Computing kpt #: 126 total cpu time spent up to now is 26.9 secs Computing kpt #: 127 total cpu time spent up to now is 27.1 secs Computing kpt #: 128 total cpu time spent up to now is 27.3 secs Computing kpt #: 129 total cpu time spent up to now is 27.5 secs Computing kpt #: 130 total cpu time spent up to now is 27.6 secs Computing kpt #: 131 total cpu time spent up to now is 27.8 secs Computing kpt #: 132 total cpu time spent up to now is 28.0 secs Computing kpt #: 133 total cpu time spent up to now is 28.2 secs Computing kpt #: 134 total cpu time spent up to now is 28.4 secs Computing kpt #: 135 total cpu time spent up to now is 28.5 secs Computing kpt #: 136 total cpu time spent up to now is 28.7 secs Computing kpt #: 137 total cpu time spent up to now is 28.9 secs Computing kpt #: 138 total cpu time spent up to now is 29.1 secs Computing kpt #: 139 total cpu time spent up to now is 29.2 secs Computing kpt #: 140 total cpu time spent up to now is 29.4 secs Computing kpt #: 141 total cpu time spent up to now is 29.6 secs Computing kpt #: 142 total cpu time spent up to now is 29.8 secs Computing kpt #: 143 total cpu time spent up to now is 30.0 secs Computing kpt #: 144 total cpu time spent up to now is 30.2 secs Computing kpt #: 145 total cpu time spent up to now is 30.4 secs Computing kpt #: 146 total cpu time spent up to now is 30.5 secs Computing kpt #: 147 total cpu time spent up to now is 30.7 secs Computing kpt #: 148 total cpu time spent up to now is 30.9 secs Computing kpt #: 149 total cpu time spent up to now is 31.1 secs Computing kpt #: 150 total cpu time spent up to now is 31.3 secs Computing kpt #: 151 total cpu time spent up to now is 31.5 secs Computing kpt #: 152 total cpu time spent up to now is 31.7 secs Computing kpt #: 153 total cpu time spent up to now is 32.0 secs Computing kpt #: 154 total cpu time spent up to now is 32.2 secs Computing kpt #: 155 total cpu time spent up to now is 32.4 secs Computing kpt #: 156 total cpu time spent up to now is 32.7 secs Computing kpt #: 157 total cpu time spent up to now is 32.9 secs Computing kpt #: 158 total cpu time spent up to now is 33.2 secs Computing kpt #: 159 total cpu time spent up to now is 33.4 secs Computing kpt #: 160 total cpu time spent up to now is 33.7 secs Computing kpt #: 161 total cpu time spent up to now is 34.0 secs Computing kpt #: 162 total cpu time spent up to now is 34.2 secs Computing kpt #: 163 total cpu time spent up to now is 34.5 secs Computing kpt #: 164 total cpu time spent up to now is 34.8 secs Computing kpt #: 165 total cpu time spent up to now is 35.0 secs Computing kpt #: 166 total cpu time spent up to now is 35.3 secs Computing kpt #: 167 total cpu time spent up to now is 35.6 secs Computing kpt #: 168 total cpu time spent up to now is 35.9 secs Computing kpt #: 169 total cpu time spent up to now is 36.1 secs Computing kpt #: 170 total cpu time spent up to now is 36.4 secs Computing kpt #: 171 total cpu time spent up to now is 36.7 secs Computing kpt #: 172 total cpu time spent up to now is 37.0 secs Computing kpt #: 173 total cpu time spent up to now is 37.3 secs Computing kpt #: 174 total cpu time spent up to now is 37.6 secs Computing kpt #: 175 total cpu time spent up to now is 37.9 secs Computing kpt #: 176 total cpu time spent up to now is 38.2 secs Computing kpt #: 177 total cpu time spent up to now is 38.5 secs Computing kpt #: 178 total cpu time spent up to now is 38.8 secs Computing kpt #: 179 total cpu time spent up to now is 39.2 secs Computing kpt #: 180 total cpu time spent up to now is 39.6 secs Computing kpt #: 181 total cpu time spent up to now is 40.0 secs Computing kpt #: 182 total cpu time spent up to now is 40.7 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.5 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.1 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.8 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.7 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.5 secs Computing kpt #: 190 total cpu time spent up to now is 47.1 secs Computing kpt #: 191 total cpu time spent up to now is 47.5 secs Computing kpt #: 192 total cpu time spent up to now is 48.0 secs Computing kpt #: 193 total cpu time spent up to now is 48.4 secs Computing kpt #: 194 total cpu time spent up to now is 48.8 secs Computing kpt #: 195 total cpu time spent up to now is 49.2 secs Computing kpt #: 196 total cpu time spent up to now is 49.5 secs Computing kpt #: 197 total cpu time spent up to now is 49.9 secs Computing kpt #: 198 total cpu time spent up to now is 50.2 secs Computing kpt #: 199 total cpu time spent up to now is 50.6 secs Computing kpt #: 200 total cpu time spent up to now is 50.9 secs Computing kpt #: 201 total cpu time spent up to now is 51.2 secs Computing kpt #: 202 total cpu time spent up to now is 51.4 secs Computing kpt #: 203 total cpu time spent up to now is 51.7 secs Computing kpt #: 204 total cpu time spent up to now is 51.9 secs Computing kpt #: 205 total cpu time spent up to now is 52.2 secs Computing kpt #: 206 total cpu time spent up to now is 52.4 secs Computing kpt #: 207 total cpu time spent up to now is 52.6 secs Computing kpt #: 208 total cpu time spent up to now is 52.9 secs Computing kpt #: 209 total cpu time spent up to now is 53.1 secs Computing kpt #: 210 total cpu time spent up to now is 53.3 secs Computing kpt #: 211 total cpu time spent up to now is 53.5 secs Computing kpt #: 212 total cpu time spent up to now is 53.8 secs Computing kpt #: 213 total cpu time spent up to now is 54.0 secs Computing kpt #: 214 total cpu time spent up to now is 54.2 secs Computing kpt #: 215 total cpu time spent up to now is 54.4 secs Computing kpt #: 216 total cpu time spent up to now is 54.6 secs Computing kpt #: 217 total cpu time spent up to now is 54.8 secs Computing kpt #: 218 total cpu time spent up to now is 55.0 secs Computing kpt #: 219 total cpu time spent up to now is 55.2 secs Computing kpt #: 220 total cpu time spent up to now is 55.4 secs Computing kpt #: 221 total cpu time spent up to now is 55.6 secs Computing kpt #: 222 total cpu time spent up to now is 55.8 secs Computing kpt #: 223 total cpu time spent up to now is 56.0 secs Computing kpt #: 224 total cpu time spent up to now is 56.2 secs Computing kpt #: 225 total cpu time spent up to now is 56.4 secs Computing kpt #: 226 total cpu time spent up to now is 56.6 secs Computing kpt #: 227 total cpu time spent up to now is 56.8 secs Computing kpt #: 228 total cpu time spent up to now is 57.0 secs Computing kpt #: 229 total cpu time spent up to now is 57.2 secs Computing kpt #: 230 total cpu time spent up to now is 57.4 secs Computing kpt #: 231 total cpu time spent up to now is 57.6 secs Computing kpt #: 232 total cpu time spent up to now is 57.8 secs Computing kpt #: 233 total cpu time spent up to now is 58.0 secs Computing kpt #: 234 total cpu time spent up to now is 58.3 secs Computing kpt #: 235 total cpu time spent up to now is 58.5 secs Computing kpt #: 236 total cpu time spent up to now is 58.7 secs Computing kpt #: 237 total cpu time spent up to now is 58.9 secs Computing kpt #: 238 total cpu time spent up to now is 59.1 secs Computing kpt #: 239 total cpu time spent up to now is 59.3 secs Computing kpt #: 240 total cpu time spent up to now is 59.5 secs Computing kpt #: 241 total cpu time spent up to now is 59.7 secs Computing kpt #: 242 total cpu time spent up to now is 59.9 secs Computing kpt #: 243 total cpu time spent up to now is 60.2 secs Computing kpt #: 244 total cpu time spent up to now is 60.4 secs Computing kpt #: 245 total cpu time spent up to now is 60.6 secs Computing kpt #: 246 total cpu time spent up to now is 60.9 secs Computing kpt #: 247 total cpu time spent up to now is 61.1 secs Computing kpt #: 248 total cpu time spent up to now is 61.3 secs Computing kpt #: 249 total cpu time spent up to now is 61.5 secs Computing kpt #: 250 total cpu time spent up to now is 61.8 secs Computing kpt #: 251 total cpu time spent up to now is 62.0 secs Computing kpt #: 252 total cpu time spent up to now is 62.2 secs Computing kpt #: 253 total cpu time spent up to now is 62.5 secs Computing kpt #: 254 total cpu time spent up to now is 62.7 secs Computing kpt #: 255 total cpu time spent up to now is 62.9 secs Computing kpt #: 256 total cpu time spent up to now is 63.1 secs Computing kpt #: 257 total cpu time spent up to now is 63.4 secs Computing kpt #: 258 total cpu time spent up to now is 63.6 secs Computing kpt #: 259 total cpu time spent up to now is 63.8 secs Computing kpt #: 260 total cpu time spent up to now is 64.1 secs Computing kpt #: 261 total cpu time spent up to now is 64.3 secs Computing kpt #: 262 total cpu time spent up to now is 64.6 secs Computing kpt #: 263 total cpu time spent up to now is 64.8 secs Computing kpt #: 264 total cpu time spent up to now is 65.1 secs Computing kpt #: 265 total cpu time spent up to now is 65.3 secs Computing kpt #: 266 total cpu time spent up to now is 65.6 secs Computing kpt #: 267 total cpu time spent up to now is 65.8 secs Computing kpt #: 268 total cpu time spent up to now is 66.1 secs Computing kpt #: 269 total cpu time spent up to now is 66.4 secs Computing kpt #: 270 total cpu time spent up to now is 66.6 secs Computing kpt #: 271 total cpu time spent up to now is 66.9 secs Computing kpt #: 272 total cpu time spent up to now is 67.2 secs Computing kpt #: 273 total cpu time spent up to now is 67.4 secs Computing kpt #: 274 total cpu time spent up to now is 67.6 secs Computing kpt #: 275 total cpu time spent up to now is 67.9 secs Computing kpt #: 276 total cpu time spent up to now is 68.1 secs Computing kpt #: 277 total cpu time spent up to now is 68.3 secs Computing kpt #: 278 total cpu time spent up to now is 68.5 secs Computing kpt #: 279 total cpu time spent up to now is 68.8 secs Computing kpt #: 280 total cpu time spent up to now is 69.0 secs Computing kpt #: 281 total cpu time spent up to now is 69.2 secs Computing kpt #: 282 total cpu time spent up to now is 69.5 secs Computing kpt #: 283 total cpu time spent up to now is 69.7 secs Computing kpt #: 284 total cpu time spent up to now is 69.9 secs Computing kpt #: 285 total cpu time spent up to now is 70.2 secs Computing kpt #: 286 total cpu time spent up to now is 70.5 secs Computing kpt #: 287 total cpu time spent up to now is 70.7 secs Computing kpt #: 288 total cpu time spent up to now is 71.0 secs Computing kpt #: 289 total cpu time spent up to now is 71.3 secs Computing kpt #: 290 total cpu time spent up to now is 71.6 secs Computing kpt #: 291 total cpu time spent up to now is 71.9 secs Computing kpt #: 292 total cpu time spent up to now is 72.2 secs Computing kpt #: 293 total cpu time spent up to now is 72.4 secs Computing kpt #: 294 total cpu time spent up to now is 72.7 secs Computing kpt #: 295 total cpu time spent up to now is 73.0 secs Computing kpt #: 296 total cpu time spent up to now is 73.3 secs Computing kpt #: 297 total cpu time spent up to now is 73.6 secs Computing kpt #: 298 total cpu time spent up to now is 73.9 secs Computing kpt #: 299 total cpu time spent up to now is 74.2 secs Computing kpt #: 300 total cpu time spent up to now is 74.5 secs Computing kpt #: 301 total cpu time spent up to now is 74.8 secs Computing kpt #: 302 total cpu time spent up to now is 75.0 secs Computing kpt #: 303 total cpu time spent up to now is 75.3 secs Computing kpt #: 304 total cpu time spent up to now is 75.7 secs Computing kpt #: 305 total cpu time spent up to now is 76.0 secs Computing kpt #: 306 total cpu time spent up to now is 76.3 secs Computing kpt #: 307 total cpu time spent up to now is 76.6 secs Computing kpt #: 308 total cpu time spent up to now is 76.9 secs Computing kpt #: 309 total cpu time spent up to now is 77.2 secs Computing kpt #: 310 total cpu time spent up to now is 77.5 secs Computing kpt #: 311 total cpu time spent up to now is 77.8 secs Computing kpt #: 312 total cpu time spent up to now is 78.1 secs Computing kpt #: 313 total cpu time spent up to now is 78.4 secs Computing kpt #: 314 total cpu time spent up to now is 78.7 secs Computing kpt #: 315 total cpu time spent up to now is 79.0 secs Computing kpt #: 316 total cpu time spent up to now is 79.4 secs Computing kpt #: 317 total cpu time spent up to now is 79.7 secs Computing kpt #: 318 total cpu time spent up to now is 80.0 secs Computing kpt #: 319 total cpu time spent up to now is 80.3 secs Computing kpt #: 320 total cpu time spent up to now is 80.7 secs Computing kpt #: 321 total cpu time spent up to now is 81.0 secs Computing kpt #: 322 total cpu time spent up to now is 81.4 secs Computing kpt #: 323 total cpu time spent up to now is 81.8 secs Computing kpt #: 324 total cpu time spent up to now is 82.2 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.1 secs Computing kpt #: 326 total cpu time spent up to now is 83.6 secs Computing kpt #: 327 total cpu time spent up to now is 84.1 secs Computing kpt #: 328 total cpu time spent up to now is 84.6 secs Computing kpt #: 329 total cpu time spent up to now is 85.0 secs Computing kpt #: 330 total cpu time spent up to now is 85.4 secs Computing kpt #: 331 total cpu time spent up to now is 85.8 secs Computing kpt #: 332 total cpu time spent up to now is 86.2 secs Computing kpt #: 333 total cpu time spent up to now is 86.5 secs Computing kpt #: 334 total cpu time spent up to now is 86.7 secs Computing kpt #: 335 total cpu time spent up to now is 86.9 secs Computing kpt #: 336 total cpu time spent up to now is 87.1 secs Computing kpt #: 337 total cpu time spent up to now is 87.4 secs Computing kpt #: 338 total cpu time spent up to now is 87.6 secs Computing kpt #: 339 total cpu time spent up to now is 87.8 secs Computing kpt #: 340 total cpu time spent up to now is 88.0 secs Computing kpt #: 341 total cpu time spent up to now is 88.2 secs Computing kpt #: 342 total cpu time spent up to now is 88.4 secs Computing kpt #: 343 total cpu time spent up to now is 88.6 secs Computing kpt #: 344 total cpu time spent up to now is 88.9 secs Computing kpt #: 345 total cpu time spent up to now is 89.1 secs Computing kpt #: 346 total cpu time spent up to now is 89.3 secs Computing kpt #: 347 total cpu time spent up to now is 89.5 secs Computing kpt #: 348 total cpu time spent up to now is 89.8 secs Computing kpt #: 349 total cpu time spent up to now is 90.0 secs Computing kpt #: 350 total cpu time spent up to now is 90.2 secs Computing kpt #: 351 total cpu time spent up to now is 90.5 secs Computing kpt #: 352 total cpu time spent up to now is 90.7 secs Computing kpt #: 353 total cpu time spent up to now is 90.9 secs Computing kpt #: 354 total cpu time spent up to now is 91.2 secs Computing kpt #: 355 total cpu time spent up to now is 91.5 secs Computing kpt #: 356 total cpu time spent up to now is 91.7 secs Computing kpt #: 357 total cpu time spent up to now is 92.1 secs Computing kpt #: 358 total cpu time spent up to now is 92.3 secs Computing kpt #: 359 total cpu time spent up to now is 92.6 secs Computing kpt #: 360 total cpu time spent up to now is 92.9 secs Computing kpt #: 361 total cpu time spent up to now is 93.2 secs Computing kpt #: 362 total cpu time spent up to now is 93.5 secs Computing kpt #: 363 total cpu time spent up to now is 93.7 secs Computing kpt #: 364 total cpu time spent up to now is 94.0 secs Computing kpt #: 365 total cpu time spent up to now is 94.2 secs Computing kpt #: 366 total cpu time spent up to now is 94.4 secs Computing kpt #: 367 total cpu time spent up to now is 94.7 secs Computing kpt #: 368 total cpu time spent up to now is 94.9 secs Computing kpt #: 369 total cpu time spent up to now is 95.1 secs Computing kpt #: 370 total cpu time spent up to now is 95.4 secs Computing kpt #: 371 total cpu time spent up to now is 95.6 secs Computing kpt #: 372 total cpu time spent up to now is 95.8 secs Computing kpt #: 373 total cpu time spent up to now is 96.1 secs Computing kpt #: 374 total cpu time spent up to now is 96.3 secs Computing kpt #: 375 total cpu time spent up to now is 96.5 secs Computing kpt #: 376 total cpu time spent up to now is 96.7 secs Computing kpt #: 377 total cpu time spent up to now is 97.0 secs Computing kpt #: 378 total cpu time spent up to now is 97.2 secs Computing kpt #: 379 total cpu time spent up to now is 97.4 secs Computing kpt #: 380 total cpu time spent up to now is 97.6 secs Computing kpt #: 381 total cpu time spent up to now is 97.8 secs Computing kpt #: 382 total cpu time spent up to now is 98.1 secs Computing kpt #: 383 total cpu time spent up to now is 98.3 secs Computing kpt #: 384 total cpu time spent up to now is 98.5 secs Computing kpt #: 385 total cpu time spent up to now is 98.7 secs Computing kpt #: 386 total cpu time spent up to now is 98.9 secs Computing kpt #: 387 total cpu time spent up to now is 99.1 secs Computing kpt #: 388 total cpu time spent up to now is 99.4 secs Computing kpt #: 389 total cpu time spent up to now is 99.6 secs Computing kpt #: 390 total cpu time spent up to now is 99.8 secs Computing kpt #: 391 total cpu time spent up to now is 100.0 secs Computing kpt #: 392 total cpu time spent up to now is 100.2 secs Computing kpt #: 393 total cpu time spent up to now is 100.4 secs Computing kpt #: 394 total cpu time spent up to now is 100.6 secs Computing kpt #: 395 total cpu time spent up to now is 100.8 secs Computing kpt #: 396 total cpu time spent up to now is 101.0 secs Computing kpt #: 397 total cpu time spent up to now is 101.2 secs Computing kpt #: 398 total cpu time spent up to now is 101.4 secs Computing kpt #: 399 total cpu time spent up to now is 101.5 secs Computing kpt #: 400 total cpu time spent up to now is 101.7 secs Computing kpt #: 401 total cpu time spent up to now is 101.9 secs Computing kpt #: 402 total cpu time spent up to now is 102.1 secs Computing kpt #: 403 total cpu time spent up to now is 102.3 secs Computing kpt #: 404 total cpu time spent up to now is 102.5 secs Computing kpt #: 405 total cpu time spent up to now is 102.7 secs Computing kpt #: 406 total cpu time spent up to now is 102.9 secs Computing kpt #: 407 total cpu time spent up to now is 103.1 secs Computing kpt #: 408 total cpu time spent up to now is 103.3 secs Computing kpt #: 409 total cpu time spent up to now is 103.5 secs Computing kpt #: 410 total cpu time spent up to now is 103.7 secs Computing kpt #: 411 total cpu time spent up to now is 104.0 secs Computing kpt #: 412 total cpu time spent up to now is 104.2 secs Computing kpt #: 413 total cpu time spent up to now is 104.4 secs Computing kpt #: 414 total cpu time spent up to now is 104.6 secs Computing kpt #: 415 total cpu time spent up to now is 104.8 secs Computing kpt #: 416 total cpu time spent up to now is 105.1 secs Computing kpt #: 417 total cpu time spent up to now is 105.3 secs Computing kpt #: 418 total cpu time spent up to now is 105.5 secs Computing kpt #: 419 total cpu time spent up to now is 105.8 secs Computing kpt #: 420 total cpu time spent up to now is 106.0 secs Computing kpt #: 421 total cpu time spent up to now is 106.2 secs Computing kpt #: 422 total cpu time spent up to now is 106.5 secs Computing kpt #: 423 total cpu time spent up to now is 106.7 secs Computing kpt #: 424 total cpu time spent up to now is 106.9 secs Computing kpt #: 425 total cpu time spent up to now is 107.1 secs Computing kpt #: 426 total cpu time spent up to now is 107.4 secs Computing kpt #: 427 total cpu time spent up to now is 107.6 secs Computing kpt #: 428 total cpu time spent up to now is 107.8 secs Computing kpt #: 429 total cpu time spent up to now is 108.1 secs Computing kpt #: 430 total cpu time spent up to now is 108.3 secs Computing kpt #: 431 total cpu time spent up to now is 108.5 secs Computing kpt #: 432 total cpu time spent up to now is 108.8 secs Computing kpt #: 433 total cpu time spent up to now is 109.0 secs Computing kpt #: 434 total cpu time spent up to now is 109.2 secs Computing kpt #: 435 total cpu time spent up to now is 109.5 secs Computing kpt #: 436 total cpu time spent up to now is 109.7 secs Computing kpt #: 437 total cpu time spent up to now is 110.0 secs Computing kpt #: 438 total cpu time spent up to now is 110.2 secs Computing kpt #: 439 total cpu time spent up to now is 110.5 secs Computing kpt #: 440 total cpu time spent up to now is 110.7 secs Computing kpt #: 441 total cpu time spent up to now is 110.9 secs Computing kpt #: 442 total cpu time spent up to now is 111.2 secs Computing kpt #: 443 total cpu time spent up to now is 111.4 secs Computing kpt #: 444 total cpu time spent up to now is 111.7 secs Computing kpt #: 445 total cpu time spent up to now is 111.9 secs Computing kpt #: 446 total cpu time spent up to now is 112.2 secs Computing kpt #: 447 total cpu time spent up to now is 112.5 secs Computing kpt #: 448 total cpu time spent up to now is 112.7 secs Computing kpt #: 449 total cpu time spent up to now is 113.0 secs Computing kpt #: 450 total cpu time spent up to now is 113.2 secs Computing kpt #: 451 total cpu time spent up to now is 113.5 secs Computing kpt #: 452 total cpu time spent up to now is 113.7 secs Computing kpt #: 453 total cpu time spent up to now is 113.9 secs Computing kpt #: 454 total cpu time spent up to now is 114.2 secs Computing kpt #: 455 total cpu time spent up to now is 114.4 secs ethr = 3.13E-08, avg # of iterations = 22.2 total cpu time spent up to now is 114.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -11.4708 -11.4708 -7.4048 -7.4048 -7.4000 -7.4000 -6.9741 -6.9741 0.4722 0.4722 4.9691 4.9691 5.1166 5.1166 5.1201 5.1201 6.1075 6.1075 6.5421 6.5421 8.5605 8.5605 8.5606 8.5606 9.4618 9.4618 11.0631 11.0631 11.0899 11.0899 12.0055 12.0055 18.8733 18.8733 19.0712 19.0712 21.0158 21.0158 21.0272 21.0272 k = 0.0000 0.0128-0.0000 ( 1559 PWs) bands (ev): -11.4699 -11.4699 -7.4116 -7.4116 -7.4013 -7.4013 -6.9677 -6.9677 0.4735 0.4735 4.9662 4.9662 5.1112 5.1112 5.1255 5.1255 6.1082 6.1082 6.5479 6.5479 8.5588 8.5588 8.5610 8.5610 9.4620 9.4620 11.0608 11.0608 11.0880 11.0880 12.0040 12.0040 18.8751 18.8751 19.0738 19.0738 21.0161 21.0161 21.0276 21.0276 k = 0.0000 0.0256-0.0000 ( 1563 PWs) bands (ev): -11.4670 -11.4670 -7.4354 -7.4354 -7.4002 -7.4002 -6.9501 -6.9501 0.4772 0.4772 4.9591 4.9591 5.0910 5.0910 5.1446 5.1446 6.1104 6.1104 6.5651 6.5651 8.5536 8.5536 8.5624 8.5624 9.4625 9.4625 11.0529 11.0529 11.0833 11.0833 11.9997 11.9997 18.8804 18.8804 19.0816 19.0816 21.0171 21.0171 21.0290 21.0290 k = 0.0000 0.0385-0.0000 ( 1563 PWs) bands (ev): -11.4621 -11.4621 -7.4722 -7.4722 -7.3976 -7.3976 -6.9245 -6.9245 0.4834 0.4834 4.9508 4.9508 5.0583 5.0583 5.1729 5.1729 6.1140 6.1140 6.5925 6.5925 8.5450 8.5450 8.5647 8.5647 9.4632 9.4632 11.0368 11.0368 11.0785 11.0785 11.9926 11.9926 18.8892 18.8892 19.0946 19.0946 21.0183 21.0183 21.0317 21.0317 k = 0.0000 0.0513-0.0000 ( 1567 PWs) bands (ev): -11.4554 -11.4554 -7.5182 -7.5182 -7.3939 -7.3939 -6.8939 -6.8939 0.4920 0.4920 4.9437 4.9437 5.0144 5.0144 5.2081 5.2081 6.1191 6.1191 6.6288 6.6288 8.5332 8.5332 8.5679 8.5679 9.4642 9.4642 11.0118 11.0118 11.0743 11.0743 11.9825 11.9825 18.9016 18.9016 19.1126 19.1126 21.0196 21.0196 21.0362 21.0362 k = 0.0000 0.0641-0.0000 ( 1571 PWs) bands (ev): -11.4467 -11.4467 -7.5711 -7.5711 -7.3892 -7.3892 -6.8610 -6.8610 0.5031 0.5031 4.9393 4.9393 4.9611 4.9611 5.2486 5.2486 6.1256 6.1256 6.6725 6.6725 8.5182 8.5182 8.5721 8.5721 9.4653 9.4653 10.9785 10.9785 11.0704 11.0704 11.9697 11.9697 18.9174 18.9174 19.1355 19.1355 21.0212 21.0212 21.0424 21.0424 k = 0.0000 0.0769-0.0000 ( 1573 PWs) bands (ev): -11.4361 -11.4361 -7.6290 -7.6290 -7.3835 -7.3835 -6.8274 -6.8274 0.5167 0.5167 4.8998 4.8998 4.9383 4.9383 5.2936 5.2936 6.1336 6.1336 6.7218 6.7218 8.5001 8.5001 8.5772 8.5772 9.4664 9.4664 10.9376 10.9376 11.0664 11.0664 11.9540 11.9540 18.9368 18.9368 19.1631 19.1631 21.0235 21.0235 21.0504 21.0504 k = 0.0000 0.0897-0.0000 ( 1581 PWs) bands (ev): -11.4235 -11.4235 -7.6908 -7.6908 -7.3767 -7.3767 -6.7942 -6.7942 0.5326 0.5326 4.8319 4.8319 4.9412 4.9412 5.3425 5.3425 6.1430 6.1430 6.7755 6.7755 8.4791 8.4791 8.5832 8.5832 9.4675 9.4675 10.8896 10.8896 11.0619 11.0619 11.9356 11.9356 18.9596 18.9596 19.1952 19.1952 21.0269 21.0269 21.0599 21.0599 k = 0.0000 0.1026-0.0000 ( 1583 PWs) bands (ev): -11.4091 -11.4091 -7.7557 -7.7557 -7.3689 -7.3689 -6.7620 -6.7620 0.5508 0.5508 4.7588 4.7588 4.9483 4.9483 5.3950 5.3950 6.1538 6.1538 6.8323 6.8323 8.4553 8.4553 8.5901 8.5901 9.4683 9.4683 10.8348 10.8348 11.0569 11.0569 11.9144 11.9144 18.9859 18.9859 19.2315 19.2315 21.0318 21.0318 21.0709 21.0709 k = 0.0000 0.1154-0.0000 ( 1583 PWs) bands (ev): -11.3927 -11.3927 -7.8231 -7.8231 -7.3601 -7.3601 -6.7314 -6.7314 0.5714 0.5714 4.6813 4.6813 4.9599 4.9599 5.4507 5.4507 6.1661 6.1661 6.8910 6.8910 8.4290 8.4290 8.5978 8.5978 9.4688 9.4688 10.7734 10.7734 11.0515 11.0515 11.8907 11.8907 19.0155 19.0155 19.2718 19.2718 21.0384 21.0384 21.0834 21.0834 k = 0.0000 0.1282-0.0000 ( 1583 PWs) bands (ev): -11.3744 -11.3744 -7.8927 -7.8927 -7.3503 -7.3503 -6.7026 -6.7026 0.5943 0.5943 4.6002 4.6002 4.9760 4.9760 5.5094 5.5094 6.1797 6.1797 6.9509 6.9509 8.4003 8.4003 8.6065 8.6065 9.4689 9.4689 10.7059 10.7059 11.0456 11.0456 11.8644 11.8644 19.0484 19.0484 19.3157 19.3157 21.0472 21.0472 21.0972 21.0972 k = 0.0000 0.1410-0.0000 ( 1579 PWs) bands (ev): -11.3543 -11.3543 -7.9641 -7.9641 -7.3395 -7.3395 -6.6760 -6.6760 0.6194 0.6194 4.5164 4.5164 4.9967 4.9967 5.5709 5.5709 6.1948 6.1948 7.0112 7.0112 8.3693 8.3693 8.6160 8.6160 9.4685 9.4685 10.6326 10.6326 11.0391 11.0391 11.8356 11.8356 19.0847 19.0847 19.3630 19.3630 21.0584 21.0584 21.1123 21.1123 k = 0.0000 0.1538-0.0000 ( 1573 PWs) bands (ev): -11.3322 -11.3322 -8.0369 -8.0369 -7.3278 -7.3278 -6.6516 -6.6516 0.6467 0.6467 4.4303 4.4303 5.0221 5.0221 5.6349 5.6349 6.2113 6.2113 7.0713 7.0713 8.3363 8.3363 8.6263 8.6263 9.4675 9.4675 10.5538 10.5538 11.0322 11.0322 11.8045 11.8045 19.1242 19.1242 19.4134 19.4134 21.0723 21.0723 21.1285 21.1285 k = 0.0000 0.1667-0.0000 ( 1573 PWs) bands (ev): -11.3083 -11.3083 -8.1111 -8.1111 -7.3151 -7.3151 -6.6296 -6.6296 0.6762 0.6762 4.3425 4.3425 5.0523 5.0523 5.7013 5.7013 6.2292 6.2292 7.1306 7.1306 8.3014 8.3014 8.6375 8.6375 9.4657 9.4657 10.4699 10.4699 11.0247 11.0247 11.7712 11.7712 19.1668 19.1668 19.4666 19.4666 21.0889 21.0889 21.1459 21.1459 k = 0.0000 0.1795-0.0000 ( 1573 PWs) bands (ev): -11.2825 -11.2825 -8.1865 -8.1865 -7.3015 -7.3015 -6.6100 -6.6100 0.7078 0.7078 4.2532 4.2532 5.0873 5.0873 5.7699 5.7699 6.2484 6.2484 7.1886 7.1886 8.2647 8.2647 8.6495 8.6495 9.4632 9.4632 10.3812 10.3812 11.0169 11.0169 11.7358 11.7358 19.2125 19.2125 19.5223 19.5223 21.1083 21.1083 21.1643 21.1643 k = 0.0000 0.1923-0.0000 ( 1573 PWs) bands (ev): -11.2548 -11.2548 -8.2627 -8.2627 -7.2871 -7.2871 -6.5929 -6.5929 0.7414 0.7414 4.1629 4.1629 5.1270 5.1270 5.8406 5.8406 6.2690 6.2690 7.2450 7.2450 8.2264 8.2264 8.6622 8.6622 9.4598 9.4598 10.2880 10.2880 11.0086 11.0086 11.6985 11.6985 19.2612 19.2612 19.5802 19.5802 21.1307 21.1307 21.1837 21.1837 k = 0.0000 0.2051-0.0000 ( 1575 PWs) bands (ev): -11.2253 -11.2253 -8.3397 -8.3397 -7.2717 -7.2717 -6.5781 -6.5781 0.7771 0.7771 4.0718 4.0718 5.1714 5.1714 5.9130 5.9130 6.2909 6.2909 7.2993 7.2993 8.1867 8.1867 8.6757 8.6757 9.4555 9.4555 10.1907 10.1907 11.0000 11.0000 11.6596 11.6596 19.3128 19.3128 19.6400 19.6400 21.1559 21.1559 21.2039 21.2039 k = 0.0000 0.2179-0.0000 ( 1577 PWs) bands (ev): -11.1940 -11.1940 -8.4174 -8.4174 -7.2556 -7.2556 -6.5659 -6.5659 0.8147 0.8147 3.9801 3.9801 5.2204 5.2204 5.9871 5.9871 6.3142 6.3142 7.3512 7.3512 8.1456 8.1456 8.6900 8.6900 9.4503 9.4503 10.0895 10.0895 10.9910 10.9910 11.6192 11.6192 19.3672 19.3672 19.7014 19.7014 21.1838 21.1838 21.2249 21.2249 k = 0.0000 0.2308-0.0000 ( 1583 PWs) bands (ev): -11.1608 -11.1608 -8.4956 -8.4956 -7.2386 -7.2386 -6.5561 -6.5561 0.8543 0.8543 3.8881 3.8881 5.2741 5.2741 6.0626 6.0626 6.3388 6.3388 7.4003 7.4003 8.1033 8.1033 8.7049 8.7049 9.4442 9.4442 9.9850 9.9850 10.9818 10.9818 11.5774 11.5774 19.4242 19.4242 19.7642 19.7642 21.2143 21.2143 21.2466 21.2466 k = 0.0000 0.2436-0.0000 ( 1579 PWs) bands (ev): -11.1258 -11.1258 -8.5742 -8.5742 -7.2209 -7.2209 -6.5486 -6.5486 0.8958 0.8958 3.7959 3.7959 5.3324 5.3324 6.1395 6.1395 6.3646 6.3646 7.4465 7.4465 8.0599 8.0599 8.7206 8.7206 9.4371 9.4371 9.8773 9.8773 10.9723 10.9723 11.5347 11.5347 19.4838 19.4838 19.8281 19.8281 21.2468 21.2468 21.2691 21.2691 k = 0.0000 0.2564-0.0000 ( 1577 PWs) bands (ev): -11.0891 -11.0891 -8.6530 -8.6530 -7.2024 -7.2024 -6.5434 -6.5434 0.9392 0.9392 3.7037 3.7037 5.3951 5.3951 6.2174 6.2174 6.3918 6.3918 7.4892 7.4892 8.0156 8.0156 8.7369 8.7369 9.4289 9.4289 9.7668 9.7668 10.9627 10.9627 11.4913 11.4913 19.5457 19.5457 19.8928 19.8928 21.2803 21.2803 21.2932 21.2932 k = 0.0000 0.2692-0.0000 ( 1573 PWs) bands (ev): -11.0505 -11.0505 -8.7320 -8.7320 -7.1832 -7.1832 -6.5406 -6.5406 0.9844 0.9844 3.6117 3.6117 5.4621 5.4621 6.2962 6.2962 6.4202 6.4202 7.5284 7.5284 7.9704 7.9704 8.7538 8.7538 9.4197 9.4197 9.6539 9.6539 10.9529 10.9529 11.4473 11.4473 19.6099 19.6099 19.9580 19.9580 21.3098 21.3098 21.3232 21.3232 k = 0.0000 0.2821-0.0000 ( 1575 PWs) bands (ev): -11.0102 -11.0102 -8.8110 -8.8110 -7.1634 -7.1634 -6.5399 -6.5399 1.0314 1.0314 3.5199 3.5199 5.5334 5.5334 6.3756 6.3756 6.4500 6.4500 7.5635 7.5635 7.9245 7.9245 8.7713 8.7713 9.4092 9.4092 9.5390 9.5390 10.9432 10.9432 11.4032 11.4032 19.6760 19.6760 20.0233 20.0233 21.3342 21.3342 21.3597 21.3597 k = 0.0000 0.2949-0.0000 ( 1575 PWs) bands (ev): -10.9682 -10.9682 -8.8900 -8.8900 -7.1429 -7.1429 -6.5413 -6.5413 1.0802 1.0802 3.4285 3.4285 5.6087 5.6087 6.4548 6.4548 6.4818 6.4818 7.5943 7.5943 7.8779 7.8779 8.7894 8.7894 9.3946 9.3946 9.4256 9.4256 10.9334 10.9334 11.3591 11.3591 19.7439 19.7439 20.0886 20.0886 21.3573 21.3573 21.3983 21.3983 k = 0.0000 0.3077-0.0000 ( 1575 PWs) bands (ev): -10.9245 -10.9245 -8.9688 -8.9688 -7.1219 -7.1219 -6.5447 -6.5447 1.1307 1.1307 3.3376 3.3376 5.6880 5.6880 6.5107 6.5107 6.5384 6.5384 7.6206 7.6206 7.8308 7.8308 8.8080 8.8080 9.3008 9.3008 9.3888 9.3888 10.9238 10.9238 11.3155 11.3155 19.8134 19.8134 20.1534 20.1534 21.3801 21.3801 21.4374 21.4374 k = 0.0000 0.3205-0.0000 ( 1573 PWs) bands (ev): -10.8790 -10.8790 -9.0473 -9.0473 -7.1003 -7.1003 -6.5501 -6.5501 1.1829 1.1829 3.2473 3.2473 5.7711 5.7711 6.5448 6.5448 6.6182 6.6182 7.6418 7.6418 7.7834 7.7834 8.8270 8.8270 9.1818 9.1818 9.3752 9.3752 10.9145 10.9145 11.2725 11.2725 19.8840 19.8840 20.2173 20.2173 21.4025 21.4025 21.4763 21.4763 k = 0.0000 0.3333-0.0000 ( 1575 PWs) bands (ev): -10.8319 -10.8319 -9.1256 -9.1256 -7.0783 -7.0783 -6.5574 -6.5574 1.2368 1.2368 3.1576 3.1576 5.8577 5.8577 6.5792 6.5792 6.6987 6.6987 7.6575 7.6575 7.7358 7.7358 8.8466 8.8466 9.0613 9.0613 9.3613 9.3613 10.9054 10.9054 11.2306 11.2306 19.9556 19.9556 20.2798 20.2798 21.4244 21.4244 21.5143 21.5143 k = 0.0000 0.3462-0.0000 ( 1578 PWs) bands (ev): -10.7831 -10.7831 -9.2034 -9.2034 -7.0558 -7.0558 -6.5664 -6.5664 1.2924 1.2924 3.0687 3.0687 5.9477 5.9477 6.6146 6.6146 6.7790 6.7790 7.6653 7.6653 7.6903 7.6903 8.8665 8.8665 8.9403 8.9403 9.3466 9.3466 10.8968 10.8968 11.1900 11.1900 20.0276 20.0276 20.3406 20.3406 21.4457 21.4457 21.5507 21.5507 k = 0.0000 0.3590-0.0000 ( 1576 PWs) bands (ev): -10.7327 -10.7327 -9.2807 -9.2807 -7.0329 -7.0329 -6.5770 -6.5770 1.3497 1.3497 2.9807 2.9807 6.0409 6.0409 6.6510 6.6510 6.8590 6.8590 7.6358 7.6358 7.6760 7.6760 8.8193 8.8193 8.8868 8.8868 9.3312 9.3312 10.8888 10.8888 11.1510 11.1510 20.0997 20.0997 20.3990 20.3990 21.4664 21.4664 21.5847 21.5847 k = 0.0000 0.3718-0.0000 ( 1584 PWs) bands (ev): -10.6807 -10.6807 -9.3575 -9.3575 -7.0098 -7.0098 -6.5892 -6.5892 1.4086 1.4086 2.8935 2.8935 6.1370 6.1370 6.6885 6.6885 6.9385 6.9385 7.5883 7.5883 7.6729 7.6729 8.6987 8.6987 8.9075 8.9075 9.3150 9.3150 10.8814 10.8814 11.1138 11.1138 20.1714 20.1714 20.4545 20.4545 21.4865 21.4865 21.6154 21.6154 k = 0.0000 0.3846-0.0000 ( 1588 PWs) bands (ev): -10.6271 -10.6271 -9.4336 -9.4336 -6.9863 -6.9863 -6.6029 -6.6029 1.4691 1.4691 2.8072 2.8072 6.2358 6.2358 6.7269 6.7269 7.0171 7.0171 7.5400 7.5400 7.6639 7.6639 8.5792 8.5792 8.9284 8.9284 9.2981 9.2981 10.8749 10.8749 11.0788 11.0788 20.2420 20.2420 20.5064 20.5064 21.5058 21.5058 21.6423 21.6423 k = 0.0000 0.3974-0.0000 ( 1588 PWs) bands (ev): -10.5719 -10.5719 -9.5090 -9.5090 -6.9627 -6.9627 -6.6179 -6.6179 1.5311 1.5311 2.7220 2.7220 6.3370 6.3370 6.7663 6.7663 7.0948 7.0948 7.4915 7.4915 7.6475 7.6475 8.4615 8.4615 8.9496 8.9496 9.2806 9.2806 10.8694 10.8694 11.0460 11.0460 20.3108 20.3108 20.5541 20.5541 21.5244 21.5244 21.6644 21.6644 k = 0.0000 0.4103-0.0000 ( 1590 PWs) bands (ev): -10.5153 -10.5153 -9.5836 -9.5836 -6.9389 -6.9389 -6.6341 -6.6341 1.5948 1.5948 2.6379 2.6379 6.4403 6.4403 6.8066 6.8066 7.1715 7.1715 7.4430 7.4430 7.6230 7.6230 8.3465 8.3465 8.9710 8.9710 9.2624 9.2624 10.8650 10.8650 11.0158 11.0158 20.3772 20.3772 20.5968 20.5968 21.5423 21.5423 21.6813 21.6813 k = 0.0000 0.4231-0.0000 ( 1594 PWs) bands (ev): -10.4572 -10.4572 -9.6574 -9.6574 -6.9150 -6.9150 -6.6516 -6.6516 1.6600 1.6600 2.5548 2.5548 6.5451 6.5451 6.8478 6.8478 7.2469 7.2469 7.3948 7.3948 7.5896 7.5896 8.2351 8.2351 8.9925 8.9925 9.2436 9.2436 10.8619 10.8619 10.9883 10.9883 20.4402 20.4402 20.6336 20.6336 21.5597 21.5597 21.6925 21.6925 k = 0.0000 0.4359-0.0000 ( 1590 PWs) bands (ev): -10.3976 -10.3976 -9.7303 -9.7303 -6.8912 -6.8912 -6.6700 -6.6700 1.7267 1.7267 2.4730 2.4730 6.6511 6.6511 6.8899 6.8899 7.3193 7.3193 7.3487 7.3487 7.5463 7.5463 8.1286 8.1286 9.0141 9.0141 9.2244 9.2244 10.8603 10.8603 10.9634 10.9634 20.4988 20.4988 20.6639 20.6639 21.5767 21.5767 21.6980 21.6980 k = 0.0000 0.4487-0.0000 ( 1590 PWs) bands (ev): -10.3366 -10.3366 -9.8022 -9.8022 -6.8674 -6.8674 -6.6894 -6.6894 1.7950 1.7950 2.3923 2.3923 6.7576 6.7576 6.9328 6.9328 7.2976 7.2976 7.3958 7.3958 7.4924 7.4924 8.0279 8.0279 9.0358 9.0358 9.2046 9.2046 10.8604 10.8604 10.9414 10.9414 20.5520 20.5520 20.6868 20.6868 21.5935 21.5935 21.6980 21.6980 k = 0.0000 0.4615-0.0000 ( 1590 PWs) bands (ev): -10.2742 -10.2742 -9.8731 -9.8731 -6.8438 -6.8438 -6.7096 -6.7096 1.8647 1.8647 2.3129 2.3129 6.8639 6.8639 6.9765 6.9765 7.2504 7.2504 7.4264 7.4264 7.4691 7.4691 7.9338 7.9338 9.0574 9.0574 9.1845 9.1845 10.8624 10.8624 10.9222 10.9222 20.5989 20.5989 20.7015 20.7015 21.6100 21.6100 21.6931 21.6931 k = 0.0000 0.4744-0.0000 ( 1592 PWs) bands (ev): -10.2104 -10.2104 -9.9429 -9.9429 -6.8204 -6.8204 -6.7307 -6.7307 1.9359 1.9359 2.2348 2.2348 6.9686 6.9686 7.0214 7.0214 7.2033 7.2033 7.3511 7.3511 7.5408 7.5408 7.8464 7.8464 9.0790 9.0790 9.1639 9.1639 10.8663 10.8663 10.9058 10.9058 20.6383 20.6383 20.7075 20.7075 21.6264 21.6264 21.6842 21.6842 k = 0.0000 0.4872-0.0000 ( 1588 PWs) bands (ev): -10.1454 -10.1454 -10.0116 -10.0116 -6.7973 -6.7973 -6.7523 -6.7523 2.0085 2.0085 2.1580 2.1580 7.0605 7.0605 7.0774 7.0774 7.1566 7.1566 7.2658 7.2658 7.6135 7.6135 7.7648 7.7648 9.1005 9.1005 9.1431 9.1431 10.8725 10.8725 10.8921 10.8921 20.6694 20.6694 20.7042 20.7042 21.6425 21.6425 21.6721 21.6721 k = 0.0000 0.5000-0.0000 ( 1588 PWs) bands (ev): -10.0791 -10.0791 -10.0791 -10.0791 -6.7745 -6.7745 -6.7745 -6.7745 2.0826 2.0826 2.0826 2.0826 7.1098 7.1098 7.1098 7.1098 7.1729 7.1729 7.1730 7.1730 7.6877 7.6877 7.6877 7.6877 9.1219 9.1219 9.1219 9.1219 10.8811 10.8811 10.8811 10.8811 20.6915 20.6915 20.6915 20.6915 21.6580 21.6580 21.6580 21.6580 k = 0.0000 0.5000-0.0000 ( 1588 PWs) bands (ev): -10.0791 -10.0791 -10.0791 -10.0791 -6.7745 -6.7745 -6.7745 -6.7745 2.0826 2.0826 2.0826 2.0826 7.1098 7.1098 7.1098 7.1098 7.1729 7.1729 7.1730 7.1730 7.6877 7.6877 7.6877 7.6877 9.1219 9.1219 9.1219 9.1219 10.8811 10.8811 10.8811 10.8811 20.6915 20.6915 20.6915 20.6915 21.6580 21.6580 21.6580 21.6580 k = 0.0128 0.5000-0.0000 ( 1592 PWs) bands (ev): -10.0784 -10.0784 -10.0784 -10.0784 -6.7761 -6.7761 -6.7761 -6.7761 2.0848 2.0848 2.0848 2.0848 7.1103 7.1103 7.1103 7.1103 7.1707 7.1707 7.1707 7.1707 7.6896 7.6896 7.6896 7.6896 9.1210 9.1210 9.1210 9.1210 10.8797 10.8797 10.8797 10.8797 20.6905 20.6905 20.6906 20.6906 21.6596 21.6596 21.6596 21.6596 k = 0.0256 0.5000-0.0000 ( 1590 PWs) bands (ev): -10.0762 -10.0762 -10.0762 -10.0762 -6.7809 -6.7809 -6.7808 -6.7808 2.0913 2.0913 2.0913 2.0913 7.1119 7.1119 7.1119 7.1119 7.1641 7.1641 7.1641 7.1641 7.6952 7.6952 7.6952 7.6952 9.1184 9.1184 9.1184 9.1184 10.8755 10.8755 10.8755 10.8755 20.6878 20.6878 20.6878 20.6878 21.6644 21.6644 21.6645 21.6645 k = 0.0385 0.5000-0.0000 ( 1590 PWs) bands (ev): -10.0726 -10.0726 -10.0726 -10.0726 -6.7887 -6.7887 -6.7887 -6.7887 2.1022 2.1022 2.1023 2.1023 7.1143 7.1143 7.1143 7.1143 7.1535 7.1535 7.1535 7.1535 7.7043 7.7043 7.7043 7.7043 9.1141 9.1141 9.1141 9.1141 10.8686 10.8686 10.8686 10.8686 20.6832 20.6832 20.6832 20.6832 21.6726 21.6726 21.6726 21.6726 k = 0.0513 0.5000-0.0000 ( 1592 PWs) bands (ev): -10.0676 -10.0676 -10.0676 -10.0676 -6.7996 -6.7996 -6.7996 -6.7996 2.1174 2.1174 2.1175 2.1175 7.1166 7.1166 7.1166 7.1166 7.1400 7.1400 7.1401 7.1401 7.7167 7.7167 7.7168 7.7168 9.1081 9.1081 9.1081 9.1081 10.8589 10.8589 10.8589 10.8589 20.6769 20.6769 20.6769 20.6769 21.6839 21.6839 21.6839 21.6839 k = 0.0641 0.5000-0.0000 ( 1584 PWs) bands (ev): -10.0612 -10.0612 -10.0612 -10.0612 -6.8136 -6.8136 -6.8136 -6.8136 2.1369 2.1369 2.1369 2.1369 7.1119 7.1119 7.1119 7.1119 7.1311 7.1311 7.1312 7.1312 7.7321 7.7321 7.7321 7.7321 9.1005 9.1005 9.1005 9.1005 10.8466 10.8466 10.8466 10.8466 20.6690 20.6690 20.6690 20.6690 21.6984 21.6984 21.6985 21.6985 k = 0.0769 0.5000-0.0000 ( 1584 PWs) bands (ev): -10.0534 -10.0534 -10.0534 -10.0534 -6.8304 -6.8304 -6.8304 -6.8304 2.1604 2.1604 2.1605 2.1605 7.0930 7.0930 7.0931 7.0931 7.1341 7.1341 7.1341 7.1341 7.7501 7.7501 7.7502 7.7502 9.0911 9.0911 9.0911 9.0911 10.8315 10.8315 10.8315 10.8315 20.6596 20.6596 20.6596 20.6596 21.7161 21.7161 21.7162 21.7162 k = 0.0897 0.5000-0.0000 ( 1592 PWs) bands (ev): -10.0442 -10.0442 -10.0442 -10.0442 -6.8502 -6.8502 -6.8502 -6.8502 2.1880 2.1880 2.1880 2.1880 7.0685 7.0685 7.0685 7.0685 7.1408 7.1408 7.1409 7.1409 7.7705 7.7705 7.7706 7.7706 9.0801 9.0801 9.0801 9.0801 10.8138 10.8138 10.8138 10.8138 20.6488 20.6488 20.6489 20.6489 21.7369 21.7369 21.7370 21.7370 k = 0.1026 0.5000-0.0000 ( 1596 PWs) bands (ev): -10.0336 -10.0336 -10.0336 -10.0336 -6.8726 -6.8726 -6.8726 -6.8726 2.2195 2.2195 2.2195 2.2195 7.0406 7.0406 7.0406 7.0406 7.1492 7.1492 7.1493 7.1493 7.7931 7.7931 7.7931 7.7931 9.0676 9.0676 9.0676 9.0676 10.7934 10.7934 10.7934 10.7934 20.6369 20.6369 20.6369 20.6369 21.7608 21.7608 21.7608 21.7608 k = 0.1154 0.5000-0.0000 ( 1592 PWs) bands (ev): -10.0217 -10.0217 -10.0217 -10.0217 -6.8977 -6.8977 -6.8977 -6.8977 2.2547 2.2547 2.2548 2.2548 7.0100 7.0100 7.0100 7.0100 7.1589 7.1589 7.1589 7.1589 7.8176 7.8176 7.8176 7.8176 9.0535 9.0535 9.0535 9.0535 10.7705 10.7705 10.7705 10.7705 20.6240 20.6240 20.6241 20.6241 21.7875 21.7875 21.7876 21.7876 k = 0.1282 0.5000-0.0000 ( 1592 PWs) bands (ev): -10.0085 -10.0085 -10.0084 -10.0084 -6.9253 -6.9253 -6.9252 -6.9252 2.2936 2.2936 2.2936 2.2936 6.9769 6.9769 6.9769 6.9769 7.1698 7.1698 7.1698 7.1698 7.8439 7.8439 7.8439 7.8439 9.0379 9.0379 9.0380 9.0380 10.7451 10.7451 10.7451 10.7451 20.6103 20.6103 20.6104 20.6104 21.8171 21.8171 21.8172 21.8172 k = 0.1410 0.5000-0.0000 ( 1592 PWs) bands (ev): -9.9939 -9.9939 -9.9939 -9.9939 -6.9551 -6.9551 -6.9551 -6.9551 2.3358 2.3358 2.3359 2.3359 6.9415 6.9415 6.9415 6.9415 7.1817 7.1817 7.1817 7.1817 7.8719 7.8719 7.8720 7.8720 9.0209 9.0209 9.0209 9.0209 10.7172 10.7172 10.7172 10.7172 20.5960 20.5960 20.5961 20.5961 21.8494 21.8494 21.8494 21.8494 k = 0.1538 0.5000-0.0000 ( 1596 PWs) bands (ev): -9.9782 -9.9782 -9.9782 -9.9782 -6.9872 -6.9872 -6.9872 -6.9872 2.3813 2.3813 2.3814 2.3814 6.9040 6.9040 6.9040 6.9040 7.1948 7.1948 7.1948 7.1948 7.9016 7.9016 7.9016 7.9016 9.0025 9.0025 9.0025 9.0025 10.6869 10.6869 10.6869 10.6869 20.5814 20.5814 20.5814 20.5814 21.8841 21.8841 21.8842 21.8842 k = 0.1667 0.5000-0.0000 ( 1596 PWs) bands (ev): -9.9612 -9.9612 -9.9612 -9.9612 -7.0213 -7.0213 -7.0213 -7.0213 2.4299 2.4299 2.4299 2.4299 6.8645 6.8645 6.8646 6.8646 7.2088 7.2088 7.2089 7.2089 7.9328 7.9328 7.9328 7.9328 8.9827 8.9827 8.9828 8.9828 10.6544 10.6544 10.6544 10.6544 20.5665 20.5665 20.5666 20.5666 21.9212 21.9212 21.9212 21.9212 k = 0.1795 0.5000-0.0000 ( 1592 PWs) bands (ev): -9.9431 -9.9431 -9.9431 -9.9431 -7.0572 -7.0572 -7.0572 -7.0572 2.4813 2.4813 2.4813 2.4813 6.8232 6.8232 6.8232 6.8232 7.2239 7.2239 7.2240 7.2240 7.9656 7.9656 7.9656 7.9656 8.9617 8.9617 8.9618 8.9618 10.6195 10.6195 10.6195 10.6195 20.5517 20.5517 20.5517 20.5517 21.9603 21.9603 21.9604 21.9604 k = 0.1923 0.5000-0.0000 ( 1592 PWs) bands (ev): -9.9239 -9.9239 -9.9238 -9.9238 -7.0948 -7.0948 -7.0948 -7.0948 2.5352 2.5352 2.5353 2.5353 6.7801 6.7801 6.7801 6.7801 7.2400 7.2400 7.2400 7.2400 7.9998 7.9998 7.9998 7.9998 8.9396 8.9396 8.9396 8.9396 10.5825 10.5825 10.5826 10.5826 20.5370 20.5370 20.5370 20.5370 22.0013 22.0013 22.0014 22.0014 k = 0.2051 0.5000-0.0000 ( 1594 PWs) bands (ev): -9.9036 -9.9036 -9.9036 -9.9036 -7.1338 -7.1338 -7.1338 -7.1338 2.5916 2.5916 2.5916 2.5916 6.7354 6.7354 6.7354 6.7354 7.2570 7.2570 7.2570 7.2570 8.0354 8.0354 8.0355 8.0355 8.9163 8.9163 8.9163 8.9163 10.5435 10.5435 10.5435 10.5435 20.5226 20.5226 20.5226 20.5226 22.0439 22.0439 22.0440 22.0440 k = 0.2179 0.5000-0.0000 ( 1590 PWs) bands (ev): -9.8823 -9.8823 -9.8823 -9.8823 -7.1742 -7.1742 -7.1741 -7.1741 2.6501 2.6501 2.6501 2.6501 6.6892 6.6892 6.6892 6.6892 7.2749 7.2749 7.2749 7.2749 8.0725 8.0725 8.0725 8.0725 8.8920 8.8920 8.8920 8.8920 10.5024 10.5024 10.5024 10.5024 20.5086 20.5086 20.5087 20.5087 22.0879 22.0879 22.0879 22.0879 k = 0.2308 0.5000-0.0000 ( 1588 PWs) bands (ev): -9.8601 -9.8601 -9.8601 -9.8601 -7.2155 -7.2155 -7.2155 -7.2155 2.7105 2.7105 2.7105 2.7105 6.6416 6.6416 6.6416 6.6416 7.2936 7.2936 7.2937 7.2937 8.1110 8.1110 8.1110 8.1110 8.8667 8.8667 8.8667 8.8667 10.4595 10.4595 10.4595 10.4595 20.4953 20.4953 20.4953 20.4953 22.1329 22.1329 22.1329 22.1329 k = 0.2436 0.5000-0.0000 ( 1592 PWs) bands (ev): -9.8371 -9.8371 -9.8371 -9.8371 -7.2578 -7.2578 -7.2578 -7.2578 2.7724 2.7724 2.7725 2.7725 6.5928 6.5928 6.5928 6.5928 7.3132 7.3132 7.3132 7.3132 8.1509 8.1509 8.1509 8.1509 8.8406 8.8406 8.8406 8.8406 10.4147 10.4147 10.4147 10.4147 20.4825 20.4825 20.4826 20.4826 22.1786 22.1786 22.1787 22.1787 k = 0.2564 0.5000-0.0000 ( 1592 PWs) bands (ev): -9.8134 -9.8134 -9.8134 -9.8134 -7.3007 -7.3007 -7.3007 -7.3007 2.8358 2.8358 2.8358 2.8358 6.5429 6.5429 6.5429 6.5429 7.3334 7.3334 7.3334 7.3334 8.1920 8.1920 8.1921 8.1921 8.8138 8.8138 8.8138 8.8138 10.3683 10.3683 10.3683 10.3683 20.4706 20.4706 20.4706 20.4706 22.2249 22.2249 22.2249 22.2249 k = 0.2692 0.5000-0.0000 ( 1590 PWs) bands (ev): -9.7890 -9.7890 -9.7890 -9.7890 -7.3440 -7.3440 -7.3440 -7.3440 2.9001 2.9001 2.9001 2.9001 6.4921 6.4921 6.4921 6.4921 7.3543 7.3543 7.3544 7.3544 8.2345 8.2345 8.2345 8.2345 8.7863 8.7863 8.7864 8.7864 10.3203 10.3203 10.3203 10.3203 20.4594 20.4594 20.4595 20.4595 22.2712 22.2712 22.2713 22.2713 k = 0.2821 0.5000-0.0000 ( 1590 PWs) bands (ev): -9.7641 -9.7641 -9.7641 -9.7641 -7.3875 -7.3875 -7.3875 -7.3875 2.9652 2.9652 2.9652 2.9652 6.4405 6.4405 6.4405 6.4405 7.3758 7.3758 7.3759 7.3759 8.2783 8.2783 8.2783 8.2783 8.7584 8.7584 8.7584 8.7584 10.2708 10.2708 10.2708 10.2708 20.4491 20.4491 20.4492 20.4492 22.3175 22.3175 22.3175 22.3175 k = 0.2949 0.5000-0.0000 ( 1590 PWs) bands (ev): -9.7388 -9.7388 -9.7388 -9.7388 -7.4309 -7.4309 -7.4309 -7.4309 3.0307 3.0307 3.0307 3.0307 6.3884 6.3884 6.3884 6.3884 7.3979 7.3979 7.3979 7.3979 8.3232 8.3232 8.3232 8.3232 8.7300 8.7300 8.7301 8.7301 10.2200 10.2200 10.2200 10.2200 20.4397 20.4397 20.4397 20.4397 22.3632 22.3632 22.3633 22.3633 k = 0.3077 0.5000-0.0000 ( 1582 PWs) bands (ev): -9.7132 -9.7132 -9.7132 -9.7132 -7.4741 -7.4741 -7.4741 -7.4741 3.0963 3.0963 3.0963 3.0963 6.3361 6.3361 6.3361 6.3361 7.4203 7.4203 7.4203 7.4203 8.3693 8.3693 8.3693 8.3693 8.7015 8.7015 8.7015 8.7015 10.1680 10.1680 10.1680 10.1680 20.4311 20.4311 20.4312 20.4312 22.4083 22.4083 22.4083 22.4083 k = 0.3205 0.5000-0.0000 ( 1582 PWs) bands (ev): -9.6876 -9.6876 -9.6876 -9.6876 -7.5167 -7.5167 -7.5166 -7.5166 3.1615 3.1615 3.1615 3.1615 6.2837 6.2837 6.2837 6.2837 7.4430 7.4430 7.4430 7.4430 8.4164 8.4164 8.4164 8.4164 8.6728 8.6728 8.6729 8.6729 10.1149 10.1149 10.1149 10.1149 20.4234 20.4234 20.4235 20.4235 22.4521 22.4521 22.4522 22.4522 k = 0.3333 0.5000-0.0000 ( 1576 PWs) bands (ev): -9.6621 -9.6621 -9.6620 -9.6620 -7.5584 -7.5584 -7.5584 -7.5584 3.2260 3.2260 3.2261 3.2261 6.2316 6.2316 6.2316 6.2316 7.4658 7.4658 7.4659 7.4659 8.4645 8.4645 8.4645 8.4645 8.6443 8.6443 8.6443 8.6443 10.0610 10.0610 10.0610 10.0610 20.4166 20.4166 20.4166 20.4166 22.4946 22.4946 22.4947 22.4947 k = 0.3462 0.5000-0.0000 ( 1572 PWs) bands (ev): -9.6368 -9.6368 -9.6368 -9.6368 -7.5990 -7.5990 -7.5990 -7.5990 3.2894 3.2894 3.2894 3.2894 6.1801 6.1801 6.1801 6.1801 7.4887 7.4887 7.4888 7.4888 8.5134 8.5134 8.5134 8.5134 8.6162 8.6162 8.6162 8.6162 10.0063 10.0063 10.0063 10.0063 20.4105 20.4105 20.4106 20.4106 22.5354 22.5354 22.5354 22.5354 k = 0.3590 0.5000-0.0000 ( 1574 PWs) bands (ev): -9.6120 -9.6120 -9.6120 -9.6120 -7.6382 -7.6382 -7.6382 -7.6382 3.3512 3.3512 3.3512 3.3512 6.1296 6.1296 6.1296 6.1296 7.5115 7.5115 7.5115 7.5115 8.5618 8.5618 8.5619 8.5619 8.5896 8.5896 8.5896 8.5896 9.9510 9.9510 9.9510 9.9510 20.4053 20.4053 20.4054 20.4054 22.5741 22.5741 22.5741 22.5741 k = 0.3718 0.5000-0.0000 ( 1574 PWs) bands (ev): -9.5880 -9.5880 -9.5880 -9.5880 -7.6757 -7.6757 -7.6756 -7.6756 3.4108 3.4108 3.4108 3.4108 6.0805 6.0805 6.0806 6.0806 7.5338 7.5338 7.5339 7.5339 8.5598 8.5598 8.5598 8.5598 8.6148 8.6148 8.6148 8.6148 9.8955 9.8955 9.8955 9.8955 20.4008 20.4008 20.4008 20.4008 22.6104 22.6104 22.6105 22.6105 k = 0.3846 0.5000-0.0000 ( 1570 PWs) bands (ev): -9.5650 -9.5650 -9.5650 -9.5650 -7.7110 -7.7110 -7.7110 -7.7110 3.4677 3.4677 3.4677 3.4677 6.0334 6.0334 6.0334 6.0334 7.5556 7.5556 7.5557 7.5557 8.5340 8.5340 8.5340 8.5340 8.6651 8.6651 8.6651 8.6651 9.8398 9.8398 9.8399 9.8399 20.3969 20.3969 20.3970 20.3970 22.6443 22.6443 22.6443 22.6443 k = 0.3974 0.5000-0.0000 ( 1566 PWs) bands (ev): -9.5433 -9.5433 -9.5433 -9.5433 -7.7440 -7.7440 -7.7440 -7.7440 3.5213 3.5213 3.5213 3.5213 5.9887 5.9887 5.9887 5.9887 7.5766 7.5766 7.5766 7.5766 8.5091 8.5091 8.5092 8.5092 8.7158 8.7158 8.7158 8.7158 9.7845 9.7845 9.7845 9.7845 20.3937 20.3937 20.3937 20.3937 22.6752 22.6752 22.6753 22.6753 k = 0.4103 0.5000-0.0000 ( 1566 PWs) bands (ev): -9.5231 -9.5231 -9.5231 -9.5231 -7.7742 -7.7742 -7.7742 -7.7742 3.5710 3.5710 3.5710 3.5710 5.9470 5.9470 5.9471 5.9471 7.5964 7.5964 7.5964 7.5964 8.4857 8.4857 8.4857 8.4857 8.7663 8.7663 8.7663 8.7663 9.7299 9.7299 9.7299 9.7299 20.3910 20.3910 20.3911 20.3911 22.7032 22.7032 22.7032 22.7032 k = 0.4231 0.5000-0.0000 ( 1566 PWs) bands (ev): -9.5048 -9.5048 -9.5048 -9.5048 -7.8013 -7.8013 -7.8013 -7.8013 3.6161 3.6161 3.6161 3.6161 5.9090 5.9090 5.9091 5.9091 7.6147 7.6147 7.6147 7.6147 8.4642 8.4642 8.4642 8.4642 8.8160 8.8160 8.8160 8.8160 9.6765 9.6765 9.6765 9.6765 20.3888 20.3888 20.3889 20.3889 22.7278 22.7278 22.7278 22.7278 k = 0.4359 0.5000-0.0000 ( 1568 PWs) bands (ev): -9.4887 -9.4887 -9.4887 -9.4887 -7.8250 -7.8250 -7.8250 -7.8250 3.6558 3.6558 3.6558 3.6558 5.8754 5.8754 5.8754 5.8754 7.6312 7.6312 7.6312 7.6312 8.4450 8.4450 8.4450 8.4450 8.8641 8.8641 8.8641 8.8641 9.6253 9.6253 9.6253 9.6253 20.3871 20.3871 20.3871 20.3871 22.7490 22.7490 22.7490 22.7490 k = 0.4487 0.5000-0.0000 ( 1568 PWs) bands (ev): -9.4750 -9.4750 -9.4750 -9.4750 -7.8449 -7.8449 -7.8449 -7.8449 3.6895 3.6895 3.6896 3.6896 5.8466 5.8466 5.8467 5.8467 7.6454 7.6454 7.6454 7.6454 8.4285 8.4285 8.4285 8.4285 8.9094 8.9094 8.9094 8.9094 9.5774 9.5774 9.5774 9.5774 20.3857 20.3857 20.3858 20.3858 22.7665 22.7665 22.7665 22.7665 k = 0.4615 0.5000-0.0000 ( 1564 PWs) bands (ev): -9.4641 -9.4641 -9.4640 -9.4640 -7.8607 -7.8607 -7.8607 -7.8607 3.7166 3.7166 3.7166 3.7166 5.8235 5.8235 5.8235 5.8235 7.6570 7.6570 7.6570 7.6570 8.4151 8.4151 8.4152 8.4152 8.9500 8.9500 8.9500 8.9500 9.5347 9.5347 9.5347 9.5347 20.3847 20.3847 20.3848 20.3848 22.7803 22.7803 22.7803 22.7803 k = 0.4744 0.5000-0.0000 ( 1560 PWs) bands (ev): -9.4561 -9.4561 -9.4560 -9.4560 -7.8722 -7.8722 -7.8722 -7.8722 3.7364 3.7364 3.7364 3.7364 5.8066 5.8066 5.8066 5.8066 7.6656 7.6656 7.6656 7.6656 8.4053 8.4053 8.4053 8.4053 8.9834 8.9834 8.9834 8.9834 9.4998 9.4998 9.4999 9.4999 20.3840 20.3840 20.3841 20.3841 22.7902 22.7902 22.7903 22.7903 k = 0.4872 0.5000-0.0000 ( 1560 PWs) bands (ev): -9.4512 -9.4512 -9.4512 -9.4512 -7.8791 -7.8791 -7.8791 -7.8791 3.7485 3.7485 3.7485 3.7485 5.7962 5.7962 5.7962 5.7962 7.6709 7.6709 7.6709 7.6709 8.3992 8.3992 8.3993 8.3993 9.0058 9.0058 9.0059 9.0059 9.4765 9.4765 9.4765 9.4765 20.3836 20.3836 20.3837 20.3837 22.7962 22.7962 22.7962 22.7962 k = 0.5000 0.5000-0.0000 ( 1560 PWs) bands (ev): -9.4496 -9.4496 -9.4495 -9.4495 -7.8815 -7.8815 -7.8815 -7.8815 3.7525 3.7525 3.7526 3.7526 5.7927 5.7927 5.7927 5.7927 7.6727 7.6727 7.6727 7.6727 8.3972 8.3972 8.3972 8.3972 9.0138 9.0138 9.0139 9.0139 9.4682 9.4682 9.4682 9.4682 20.3835 20.3835 20.3835 20.3835 22.7982 22.7982 22.7982 22.7982 k = 0.5000 0.5000-0.0000 ( 1560 PWs) bands (ev): -9.4496 -9.4496 -9.4495 -9.4495 -7.8815 -7.8815 -7.8815 -7.8815 3.7525 3.7525 3.7526 3.7526 5.7927 5.7927 5.7927 5.7927 7.6727 7.6727 7.6727 7.6727 8.3972 8.3972 8.3972 8.3972 9.0138 9.0138 9.0139 9.0139 9.4682 9.4682 9.4682 9.4682 20.3835 20.3835 20.3835 20.3835 22.7982 22.7982 22.7982 22.7982 k = 0.4909 0.4909-0.0000 ( 1560 PWs) bands (ev): -9.4538 -9.4538 -9.4486 -9.4486 -7.8811 -7.8811 -7.8771 -7.8771 3.7444 3.7444 3.7525 3.7525 5.7913 5.7913 5.8011 5.8011 7.6686 7.6686 7.6732 7.6732 8.3973 8.3973 8.4012 8.4012 8.9980 8.9980 9.0138 9.0138 9.4701 9.4701 9.4828 9.4828 20.3819 20.3819 20.3854 20.3854 22.7948 22.7948 22.7976 22.7976 k = 0.4818 0.4818-0.0000 ( 1560 PWs) bands (ev): -9.4663 -9.4663 -9.4458 -9.4458 -7.8800 -7.8800 -7.8643 -7.8643 3.7206 3.7206 3.7523 3.7523 5.7873 5.7873 5.8258 5.8258 7.6565 7.6565 7.6748 7.6748 8.3977 8.3977 8.4128 8.4128 8.9554 8.9554 9.0135 9.0135 9.4759 9.4759 9.5217 9.5217 20.3773 20.3773 20.3908 20.3908 22.7845 22.7845 22.7959 22.7959 k = 0.4727 0.4727-0.0000 ( 1566 PWs) bands (ev): -9.4866 -9.4866 -9.4412 -9.4412 -7.8782 -7.8782 -7.8434 -7.8434 3.6821 3.6821 3.7521 3.7521 5.7805 5.7805 5.8656 5.8656 7.6372 7.6372 7.6775 7.6775 8.3983 8.3983 8.4313 8.4313 8.8951 8.8951 9.0131 9.0131 9.4854 9.4854 9.5757 9.5757 20.3696 20.3696 20.3998 20.3998 22.7675 22.7675 22.7929 22.7929 k = 0.4636 0.4636-0.0000 ( 1566 PWs) bands (ev): -9.5141 -9.5141 -9.4347 -9.4347 -7.8757 -7.8757 -7.8151 -7.8151 3.6306 3.6306 3.7518 3.7518 5.7711 5.7711 5.9189 5.9189 7.6118 7.6118 7.6812 7.6812 8.3992 8.3992 8.4557 8.4557 8.8241 8.8241 9.0126 9.0126 9.4987 9.4987 9.6381 9.6381 20.3589 20.3589 20.4122 20.4122 22.7439 22.7439 22.7886 22.7886 k = 0.4545 0.4545-0.0000 ( 1566 PWs) bands (ev): -9.5479 -9.5479 -9.4263 -9.4263 -7.8725 -7.8725 -7.7803 -7.7803 3.5680 3.5680 3.7515 3.7515 5.7593 5.7593 5.9838 5.9838 7.5813 7.5813 7.6860 7.6860 8.4004 8.4004 8.4848 8.4848 8.7465 8.7465 9.0120 9.0120 9.5155 9.5155 9.7048 9.7048 20.3454 20.3454 20.4279 20.4279 22.7139 22.7139 22.7829 22.7829 k = 0.4455 0.4455-0.0000 ( 1564 PWs) bands (ev): -9.5873 -9.5873 -9.4161 -9.4161 -7.8686 -7.8686 -7.7399 -7.7399 3.4963 3.4963 3.7513 3.7513 5.7450 5.7450 6.0583 6.0583 7.5468 7.5468 7.6918 7.6918 8.4018 8.4018 8.5177 8.5177 8.6645 8.6645 9.0112 9.0112 9.5359 9.5359 9.7735 9.7735 20.3292 20.3292 20.4466 20.4466 22.6778 22.6778 22.7757 22.7757 k = 0.4364 0.4364-0.0000 ( 1572 PWs) bands (ev): -9.6313 -9.6313 -9.4041 -9.4041 -7.8640 -7.8640 -7.6947 -7.6947 3.4170 3.4170 3.7511 3.7511 5.7285 5.7285 6.1406 6.1406 7.5091 7.5091 7.6987 7.6987 8.4034 8.4034 8.5533 8.5533 8.5794 8.5794 9.0103 9.0103 9.5595 9.5595 9.8431 9.8431 20.3105 20.3105 20.4681 20.4681 22.6359 22.6359 22.7669 22.7669 k = 0.4273 0.4273-0.0000 ( 1572 PWs) bands (ev): -9.6792 -9.6792 -9.3902 -9.3902 -7.8587 -7.8587 -7.6457 -7.6457 3.3318 3.3318 3.7511 3.7511 5.7098 5.7098 6.2292 6.2292 7.4691 7.4691 7.7065 7.7065 8.4051 8.4051 8.4921 8.4921 8.5912 8.5912 9.0095 9.0095 9.5863 9.5863 9.9128 9.9128 20.2894 20.2894 20.4921 20.4921 22.5885 22.5885 22.7564 22.7564 k = 0.4182 0.4182-0.0000 ( 1576 PWs) bands (ev): -9.7301 -9.7301 -9.3745 -9.3745 -7.8528 -7.8528 -7.5935 -7.5935 3.2421 3.2421 3.7514 3.7514 5.6891 5.6891 6.3225 6.3225 7.4272 7.4272 7.7154 7.7154 8.3988 8.3988 8.4112 8.4112 8.6303 8.6303 9.0087 9.0087 9.6160 9.6160 9.9822 9.9822 20.2660 20.2660 20.5181 20.5181 22.5361 22.5361 22.7440 22.7440 k = 0.4091 0.4091-0.0000 ( 1568 PWs) bands (ev): -9.7836 -9.7836 -9.3570 -9.3570 -7.8462 -7.8462 -7.5390 -7.5390 3.1488 3.1488 3.7519 3.7519 5.6667 5.6667 6.4195 6.4195 7.3840 7.3840 7.7254 7.7254 8.3115 8.3115 8.4103 8.4103 8.6704 8.6704 9.0080 9.0080 9.6485 9.6485 10.0512 10.0512 20.2408 20.2408 20.5458 20.5458 22.4790 22.4790 22.7295 22.7295 k = 0.4000 0.4000-0.0000 ( 1568 PWs) bands (ev): -9.8390 -9.8390 -9.3377 -9.3377 -7.8389 -7.8389 -7.4827 -7.4827 3.0529 3.0529 3.7529 3.7529 5.6426 5.6426 6.5190 6.5190 7.3399 7.3399 7.7363 7.7363 8.2198 8.2198 8.4127 8.4127 8.7110 8.7110 9.0075 9.0075 9.6835 9.6835 10.1193 10.1193 20.2137 20.2137 20.5745 20.5745 22.4178 22.4178 22.7128 22.7128 k = 0.3909 0.3909-0.0000 ( 1568 PWs) bands (ev): -9.8959 -9.8959 -9.3167 -9.3167 -7.8311 -7.8311 -7.4252 -7.4252 2.9551 2.9551 3.7544 3.7544 5.6171 5.6171 6.6200 6.6200 7.2951 7.2951 7.7482 7.7482 8.1272 8.1272 8.4155 8.4155 8.7519 8.7519 9.0074 9.0074 9.7208 9.7208 10.1867 10.1867 20.1851 20.1851 20.6037 20.6037 22.3530 22.3530 22.6937 22.6937 k = 0.3818 0.3818-0.0000 ( 1572 PWs) bands (ev): -9.9537 -9.9537 -9.2938 -9.2938 -7.8227 -7.8227 -7.3671 -7.3671 2.8562 2.8562 3.7566 3.7566 5.5903 5.5903 6.7217 6.7217 7.2500 7.2500 7.7609 7.7609 8.0338 8.0338 8.4184 8.4184 8.7926 8.7926 9.0078 9.0078 9.7601 9.7601 10.2531 10.2531 20.1552 20.1552 20.6326 20.6326 22.2849 22.2849 22.6722 22.6722 k = 0.3727 0.3727-0.0000 ( 1576 PWs) bands (ev): -10.0123 -10.0123 -9.2692 -9.2692 -7.8137 -7.8137 -7.3087 -7.3087 2.7566 2.7566 3.7595 3.7595 5.5624 5.5624 6.8232 6.8232 7.2047 7.2047 7.7745 7.7745 7.9400 7.9400 8.4216 8.4216 8.8331 8.8331 9.0091 9.0091 9.8014 9.8014 10.3186 10.3186 20.1240 20.1240 20.6606 20.6606 22.2143 22.2143 22.6481 22.6481 k = 0.3636 0.3636-0.0000 ( 1576 PWs) bands (ev): -10.0713 -10.0713 -9.2429 -9.2429 -7.8041 -7.8041 -7.2505 -7.2505 2.6569 2.6569 3.7633 3.7633 5.5337 5.5337 6.9237 6.9237 7.1595 7.1595 7.7883 7.7883 7.8466 7.8466 8.4250 8.4250 8.8731 8.8731 9.0116 9.0116 9.8442 9.8442 10.3833 10.3833 20.0919 20.0919 20.6867 20.6867 22.1418 22.1418 22.6213 22.6213 k = 0.3545 0.3545-0.0000 ( 1580 PWs) bands (ev): -10.1303 -10.1303 -9.2148 -9.2148 -7.7941 -7.7941 -7.1928 -7.1928 2.5573 2.5573 3.7680 3.7680 5.5041 5.5041 7.0222 7.0222 7.1145 7.1145 7.7490 7.7490 7.8069 7.8069 8.4285 8.4285 8.9123 8.9123 9.0156 9.0156 9.8884 9.8884 10.4469 10.4469 20.0590 20.0590 20.7101 20.7101 22.0679 22.0679 22.5918 22.5918 k = 0.3455 0.3455-0.0000 ( 1580 PWs) bands (ev): -10.1893 -10.1893 -9.1851 -9.1851 -7.7835 -7.7835 -7.1360 -7.1360 2.4583 2.4583 3.7739 3.7739 5.4741 5.4741 7.0687 7.0687 7.1191 7.1191 7.6552 7.6552 7.8224 7.8224 8.4323 8.4323 8.9506 8.9506 9.0217 9.0217 9.9337 9.9337 10.5097 10.5097 20.0255 20.0255 20.7297 20.7297 21.9934 21.9934 22.5594 22.5594 k = 0.3364 0.3364-0.0000 ( 1580 PWs) bands (ev): -10.2480 -10.2480 -9.1537 -9.1537 -7.7725 -7.7725 -7.0805 -7.0805 2.3601 2.3601 3.7810 3.7810 5.4436 5.4436 7.0247 7.0247 7.2110 7.2110 7.5607 7.5607 7.8396 7.8396 8.4361 8.4361 8.9877 8.9877 9.0307 9.0307 9.9799 9.9799 10.5715 10.5715 19.9915 19.9915 20.7444 20.7444 21.9189 21.9189 22.5244 22.5244 k = 0.3273 0.3273-0.0000 ( 1578 PWs) bands (ev): -10.3062 -10.3062 -9.1206 -9.1206 -7.7611 -7.7611 -7.0264 -7.0264 2.2631 2.2631 3.7894 3.7894 5.4128 5.4128 6.9808 6.9808 7.2985 7.2985 7.4664 7.4664 7.8577 7.8577 8.4402 8.4402 9.0225 9.0225 9.0443 9.0443 10.0268 10.0268 10.6325 10.6325 19.9571 19.9571 20.7533 20.7533 21.8452 21.8452 22.4866 22.4866 k = 0.3182 0.3182-0.0000 ( 1582 PWs) bands (ev): -10.3638 -10.3638 -9.0859 -9.0859 -7.7493 -7.7493 -6.9740 -6.9740 2.1675 2.1675 3.7993 3.7993 5.3820 5.3820 6.9374 6.9374 7.3693 7.3693 7.3833 7.3833 7.8766 7.8766 8.4443 8.4443 9.0506 9.0506 9.0673 9.0673 10.0742 10.0742 10.6926 10.6926 19.9224 19.9224 20.7552 20.7552 21.7730 21.7730 22.4461 22.4461 k = 0.3091 0.3091-0.0000 ( 1584 PWs) bands (ev): -10.4206 -10.4206 -9.0496 -9.0496 -7.7371 -7.7371 -6.9237 -6.9237 2.0734 2.0734 3.8108 3.8108 5.3512 5.3512 6.8946 6.8946 7.2780 7.2780 7.4560 7.4560 7.8963 7.8963 8.4486 8.4486 9.0739 9.0739 9.0987 9.0987 10.1219 10.1219 10.7518 10.7518 19.8875 19.8875 20.7494 20.7494 21.7030 21.7030 22.4031 22.4031 k = 0.3000 0.3000-0.0000 ( 1584 PWs) bands (ev): -10.4766 -10.4766 -9.0118 -9.0118 -7.7246 -7.7246 -6.8756 -6.8756 1.9811 1.9811 3.8241 3.8241 5.3205 5.3205 6.8526 6.8526 7.1848 7.1848 7.5232 7.5232 7.9167 7.9167 8.4530 8.4530 9.1006 9.1006 9.1310 9.1310 10.1697 10.1697 10.8103 10.8103 19.8525 19.8525 20.7351 20.7351 21.6357 21.6357 22.3578 22.3578 k = 0.2909 0.2909-0.0000 ( 1580 PWs) bands (ev): -10.5316 -10.5316 -8.9724 -8.9724 -7.7118 -7.7118 -6.8300 -6.8300 1.8908 1.8908 3.8391 3.8391 5.2902 5.2902 6.8113 6.8113 7.0922 7.0922 7.5816 7.5816 7.9378 7.9378 8.4574 8.4574 9.1328 9.1328 9.1628 9.1628 10.2173 10.2173 10.8679 10.8679 19.8174 19.8174 20.7120 20.7120 21.5716 21.5716 22.3102 22.3102 k = 0.2818 0.2818-0.0000 ( 1572 PWs) bands (ev): -10.5855 -10.5855 -8.9315 -8.9315 -7.6987 -7.6987 -6.7870 -6.7870 1.8026 1.8026 3.8561 3.8561 5.2603 5.2603 6.7708 6.7708 7.0004 7.0004 7.6303 7.6303 7.9596 7.9596 8.4619 8.4619 9.1709 9.1709 9.1943 9.1943 10.2647 10.2647 10.9247 10.9247 19.7822 19.7822 20.6800 20.6800 21.5110 21.5110 22.2607 22.2607 k = 0.2727 0.2727-0.0000 ( 1568 PWs) bands (ev): -10.6383 -10.6383 -8.8892 -8.8892 -7.6854 -7.6854 -6.7469 -6.7469 1.7167 1.7167 3.8752 3.8752 5.2310 5.2310 6.7313 6.7313 6.9095 6.9095 7.6688 7.6688 7.9820 7.9820 8.4665 8.4665 9.2111 9.2111 9.2294 9.2294 10.3116 10.3116 10.9808 10.9808 19.7470 19.7470 20.6396 20.6396 21.4537 21.4537 22.2094 22.2094 k = 0.2636 0.2636-0.0000 ( 1572 PWs) bands (ev): -10.6899 -10.6899 -8.8454 -8.8454 -7.6720 -7.6720 -6.7099 -6.7099 1.6333 1.6333 3.8964 3.8964 5.2024 5.2024 6.6926 6.6926 6.8197 6.8197 7.6968 7.6968 8.0049 8.0049 8.4711 8.4711 9.2432 9.2432 9.2782 9.2782 10.3578 10.3578 11.0360 11.0360 19.7116 19.7116 20.5915 20.5915 21.3997 21.3997 22.1565 22.1565 k = 0.2545 0.2545-0.0000 ( 1568 PWs) bands (ev): -10.7401 -10.7401 -8.8003 -8.8003 -7.6584 -7.6584 -6.6760 -6.6760 1.5524 1.5524 3.9199 3.9199 5.1745 5.1745 6.6549 6.6549 6.7310 6.7310 7.7145 7.7145 8.0283 8.0283 8.4758 8.4758 9.2701 9.2701 9.3378 9.3378 10.4033 10.4033 11.0904 11.0904 19.6760 19.6760 20.5366 20.5366 21.3487 21.3487 22.1023 22.1023 k = 0.2455 0.2455-0.0000 ( 1568 PWs) bands (ev): -10.7891 -10.7891 -8.7538 -8.7538 -7.6448 -7.6448 -6.6455 -6.6455 1.4741 1.4741 3.9456 3.9456 5.1475 5.1475 6.6177 6.6177 6.6441 6.6441 7.7223 7.7223 8.0521 8.0521 8.4804 8.4804 9.2945 9.2945 9.4046 9.4046 10.4479 10.4479 11.1440 11.1440 19.6403 19.6403 20.4761 20.4761 21.3006 21.3006 22.0472 22.0472 k = 0.2364 0.2364-0.0000 ( 1570 PWs) bands (ev): -10.8366 -10.8366 -8.7060 -8.7060 -7.6311 -7.6311 -6.6185 -6.6185 1.3986 1.3986 3.9738 3.9738 5.1214 5.1214 6.5564 6.5564 6.5837 6.5837 7.7206 7.7206 8.0764 8.0764 8.4851 8.4851 9.3170 9.3170 9.4772 9.4772 10.4914 10.4914 11.1967 11.1967 19.6043 19.6043 20.4111 20.4111 21.2550 21.2550 21.9912 21.9912 k = 0.2273 0.2273-0.0000 ( 1572 PWs) bands (ev): -10.8827 -10.8827 -8.6570 -8.6570 -7.6174 -7.6174 -6.5951 -6.5951 1.3260 1.3260 4.0043 4.0043 5.0964 5.0964 6.4722 6.4722 6.5487 6.5487 7.7104 7.7104 8.1009 8.1009 8.4897 8.4897 9.3377 9.3377 9.5546 9.5546 10.5338 10.5338 11.2485 11.2485 19.5681 19.5681 20.3426 20.3426 21.2120 21.2120 21.9347 21.9347 k = 0.2182 0.2182-0.0000 ( 1572 PWs) bands (ev): -10.9272 -10.9272 -8.6069 -8.6069 -7.6038 -7.6038 -6.5753 -6.5753 1.2563 1.2563 4.0374 4.0374 5.0726 5.0726 6.3892 6.3892 6.5153 6.5153 7.6923 7.6923 8.1258 8.1258 8.4943 8.4943 9.3568 9.3568 9.6359 9.6359 10.5749 10.5749 11.2994 11.2994 19.5315 19.5315 20.2717 20.2717 21.1716 21.1716 21.8780 21.8780 k = 0.2091 0.2091-0.0000 ( 1572 PWs) bands (ev): -10.9702 -10.9702 -8.5556 -8.5556 -7.5903 -7.5903 -6.5593 -6.5593 1.1895 1.1895 4.0729 4.0729 5.0500 5.0500 6.3079 6.3079 6.4830 6.4830 7.6672 7.6672 8.1509 8.1509 8.4989 8.4989 9.3742 9.3742 9.7200 9.7200 10.6148 10.6148 11.3492 11.3492 19.4946 19.4946 20.1990 20.1990 21.1340 21.1340 21.8214 21.8214 k = 0.2000 0.2000-0.0000 ( 1568 PWs) bands (ev): -11.0116 -11.0116 -8.5032 -8.5032 -7.5769 -7.5769 -6.5471 -6.5471 1.1258 1.1258 4.1109 4.1109 5.0288 5.0288 6.2282 6.2282 6.4520 6.4520 7.6357 7.6357 8.1761 8.1761 8.5034 8.5034 9.3900 9.3900 9.8061 9.8061 10.6532 10.6532 11.3980 11.3980 19.4575 19.4575 20.1254 20.1254 21.0993 21.0993 21.7651 21.7651 k = 0.1909 0.1909-0.0000 ( 1572 PWs) bands (ev): -11.0514 -11.0514 -8.4498 -8.4498 -7.5637 -7.5637 -6.5388 -6.5388 1.0652 1.0652 4.1514 4.1514 5.0089 5.0089 6.1505 6.1505 6.4222 6.4222 7.5985 7.5985 8.2014 8.2014 8.5078 8.5078 9.4041 9.4041 9.8933 9.8933 10.6901 10.6901 11.4457 11.4457 19.4200 19.4200 20.0512 20.0512 21.0680 21.0680 21.7093 21.7093 k = 0.1818 0.1818-0.0000 ( 1570 PWs) bands (ev): -11.0896 -11.0896 -8.3956 -8.3956 -7.5507 -7.5507 -6.5342 -6.5342 1.0076 1.0076 4.1944 4.1944 4.9905 4.9905 6.0747 6.0747 6.3936 6.3936 7.5563 7.5563 8.2267 8.2267 8.5121 8.5121 9.4166 9.4166 9.9811 9.9811 10.7256 10.7256 11.4921 11.4921 19.3824 19.3824 19.9773 19.9773 21.0400 21.0400 21.6543 21.6543 k = 0.1727 0.1727-0.0000 ( 1570 PWs) bands (ev): -11.1260 -11.1260 -8.3404 -8.3404 -7.5380 -7.5380 -6.5335 -6.5335 0.9531 0.9531 4.2397 4.2397 4.9736 4.9736 6.0009 6.0009 6.3663 6.3663 7.5095 7.5095 8.2519 8.2519 8.5164 8.5164 9.4277 9.4277 10.0685 10.0685 10.7594 10.7594 11.5371 11.5371 19.3446 19.3446 19.9038 19.9038 21.0157 21.0157 21.6004 21.6004 k = 0.1636 0.1636-0.0000 ( 1570 PWs) bands (ev): -11.1607 -11.1607 -8.2846 -8.2846 -7.5256 -7.5256 -6.5366 -6.5366 0.9018 0.9018 4.2873 4.2873 4.9583 4.9583 5.9292 5.9292 6.3402 6.3402 7.4588 7.4588 8.2769 8.2769 8.5205 8.5205 9.4372 9.4372 10.1551 10.1551 10.7917 10.7917 11.5808 11.5808 19.3070 19.3070 19.8314 19.8314 20.9952 20.9952 21.5477 21.5477 k = 0.1545 0.1545-0.0000 ( 1568 PWs) bands (ev): -11.1937 -11.1937 -8.2280 -8.2280 -7.5136 -7.5136 -6.5435 -6.5435 0.8535 0.8535 4.3371 4.3371 4.9447 4.9447 5.8598 5.8598 6.3155 6.3155 7.4047 7.4047 8.3016 8.3016 8.5244 8.5244 9.4453 9.4453 10.2403 10.2403 10.8223 10.8223 11.6229 11.6229 19.2696 19.2696 19.7602 19.7602 20.9785 20.9785 21.4965 21.4965 k = 0.1455 0.1455-0.0000 ( 1576 PWs) bands (ev): -11.2250 -11.2250 -8.1708 -8.1708 -7.5020 -7.5020 -6.5539 -6.5539 0.8083 0.8083 4.3889 4.3889 4.9328 4.9328 5.7926 5.7926 6.2921 6.2921 7.3475 7.3475 8.3259 8.3259 8.5282 8.5282 9.4519 9.4519 10.3236 10.3236 10.8512 10.8512 11.6633 11.6633 19.2326 19.2326 19.6907 19.6907 20.9656 20.9656 21.4470 21.4470 k = 0.1364 0.1364-0.0000 ( 1576 PWs) bands (ev): -11.2544 -11.2544 -8.1132 -8.1132 -7.4909 -7.4909 -6.5679 -6.5679 0.7662 0.7662 4.4425 4.4425 4.9227 4.9227 5.7278 5.7278 6.2700 6.2700 7.2878 7.2878 8.3497 8.3497 8.5319 8.5319 9.4573 9.4573 10.4045 10.4045 10.8784 10.8784 11.7020 11.7020 19.1963 19.1963 19.6233 19.6233 20.9563 20.9563 21.3995 21.3995 k = 0.1273 0.1273-0.0000 ( 1576 PWs) bands (ev): -11.2820 -11.2820 -8.0553 -8.0553 -7.4802 -7.4802 -6.5854 -6.5854 0.7271 0.7271 4.4978 4.4978 4.9145 4.9145 5.6654 5.6654 6.2493 6.2493 7.2260 7.2260 8.3729 8.3729 8.5353 8.5353 9.4616 9.4616 10.4826 10.4826 10.9039 10.9039 11.7388 11.7388 19.1609 19.1609 19.5583 19.5583 20.9506 20.9506 21.3540 21.3540 k = 0.1182 0.1182-0.0000 ( 1574 PWs) bands (ev): -11.3078 -11.3078 -7.9972 -7.9972 -7.4701 -7.4701 -6.6061 -6.6061 0.6909 0.6909 4.5543 4.5543 4.9081 4.9081 5.6055 5.6055 6.2299 6.2299 7.1626 7.1626 8.3954 8.3954 8.5386 8.5386 9.4648 9.4648 10.5573 10.5573 10.9277 10.9277 11.7737 11.7737 19.1265 19.1265 19.4961 19.4961 20.9481 20.9481 21.3108 21.3108 k = 0.1091 0.1091-0.0000 ( 1578 PWs) bands (ev): -11.3317 -11.3317 -7.9390 -7.9390 -7.4606 -7.4606 -6.6298 -6.6298 0.6577 0.6577 4.6119 4.6119 4.9037 4.9037 5.5481 5.5481 6.2119 6.2119 7.0982 7.0982 8.4171 8.4171 8.5417 8.5417 9.4670 9.4670 10.6284 10.6284 10.9498 10.9498 11.8065 11.8065 19.0935 19.0935 19.4370 19.4370 20.9485 20.9485 21.2701 21.2701 k = 0.1000 0.1000-0.0000 ( 1577 PWs) bands (ev): -11.3538 -11.3538 -7.8809 -7.8809 -7.4517 -7.4517 -6.6565 -6.6565 0.6274 0.6274 4.6700 4.6700 4.9012 4.9012 5.4933 5.4933 6.1953 6.1953 7.0332 7.0332 8.4377 8.4377 8.5446 8.5446 9.4683 9.4683 10.6954 10.6954 10.9702 10.9702 11.8371 11.8371 19.0619 19.0619 19.3813 19.3813 20.9515 20.9515 21.2321 21.2321 k = 0.0909 0.0909-0.0000 ( 1583 PWs) bands (ev): -11.3740 -11.3740 -7.8232 -7.8232 -7.4435 -7.4435 -6.6857 -6.6857 0.6000 0.6000 4.7282 4.7282 4.9007 4.9007 5.4412 5.4412 6.1802 6.1802 6.9683 6.9683 8.4572 8.4572 8.5473 8.5473 9.4689 9.4689 10.7579 10.7579 10.9888 10.9888 11.8654 11.8654 19.0322 19.0322 19.3294 19.3294 20.9566 20.9566 21.1968 21.1968 k = 0.0818 0.0818-0.0000 ( 1583 PWs) bands (ev): -11.3924 -11.3924 -7.7660 -7.7660 -7.4359 -7.4359 -6.7173 -6.7173 0.5753 0.5753 4.7859 4.7859 4.9022 4.9022 5.3919 5.3919 6.1664 6.1664 6.9044 6.9044 8.4754 8.4754 8.5497 8.5497 9.4689 9.4689 10.8155 10.8155 11.0058 11.0058 11.8913 11.8913 19.0043 19.0043 19.2817 19.2817 20.9634 20.9634 21.1644 21.1644 k = 0.0727 0.0727-0.0000 ( 1585 PWs) bands (ev): -11.4088 -11.4088 -7.7098 -7.7098 -7.4290 -7.4290 -6.7507 -6.7507 0.5534 0.5534 4.8424 4.8424 4.9057 4.9057 5.3454 5.3454 6.1541 6.1541 6.8420 6.8420 8.4923 8.4923 8.5519 8.5519 9.4684 9.4684 10.8680 10.8680 11.0210 11.0210 11.9148 11.9148 18.9786 18.9786 19.2383 19.2383 20.9714 20.9714 21.1352 21.1352 k = 0.0636 0.0636-0.0000 ( 1577 PWs) bands (ev): -11.4233 -11.4233 -7.6550 -7.6550 -7.4229 -7.4229 -6.7857 -6.7857 0.5341 0.5341 4.8967 4.8967 4.9112 4.9112 5.3019 5.3019 6.1432 6.1432 6.7823 6.7823 8.5075 8.5075 8.5539 8.5539 9.4676 9.4676 10.9150 10.9150 11.0347 11.0347 11.9357 11.9357 18.9553 18.9553 19.1996 19.1996 20.9801 20.9801 21.1091 21.1091 k = 0.0545 0.0545-0.0000 ( 1577 PWs) bands (ev): -11.4359 -11.4359 -7.6020 -7.6020 -7.4175 -7.4175 -6.8214 -6.8214 0.5176 0.5176 4.9183 4.9183 4.9482 4.9482 5.2615 5.2615 6.1337 6.1337 6.7262 6.7262 8.5211 8.5211 8.5556 8.5556 9.4665 9.4665 10.9562 10.9562 11.0467 11.0467 11.9540 11.9540 18.9344 18.9344 19.1658 19.1658 20.9890 20.9890 21.0863 21.0863 k = 0.0455 0.0455-0.0000 ( 1573 PWs) bands (ev): -11.4465 -11.4465 -7.5518 -7.5518 -7.4129 -7.4129 -6.8572 -6.8572 0.5036 0.5036 4.9272 4.9272 4.9952 4.9952 5.2245 5.2245 6.1257 6.1257 6.6750 6.6750 8.5329 8.5329 8.5571 8.5571 9.4653 9.4653 10.9910 10.9910 11.0572 11.0572 11.9696 11.9696 18.9163 18.9163 19.1370 19.1370 20.9974 20.9974 21.0669 21.0669 k = 0.0364 0.0364-0.0000 ( 1567 PWs) bands (ev): -11.4553 -11.4553 -7.5055 -7.5055 -7.4091 -7.4091 -6.8918 -6.8918 0.4923 0.4923 4.9374 4.9374 5.0366 5.0366 5.1913 5.1913 6.1191 6.1191 6.6302 6.6302 8.5427 8.5427 8.5583 8.5583 9.4642 9.4642 11.0192 11.0192 11.0665 11.0665 11.9825 11.9825 18.9011 18.9011 19.1133 19.1133 21.0050 21.0050 21.0511 21.0511 k = 0.0273 0.0273-0.0000 ( 1567 PWs) bands (ev): -11.4621 -11.4621 -7.4647 -7.4647 -7.4062 -7.4062 -6.9235 -6.9235 0.4835 0.4835 4.9482 4.9482 5.0709 5.0709 5.1625 5.1625 6.1140 6.1140 6.5931 6.5931 8.5504 8.5504 8.5592 8.5592 9.4632 9.4632 11.0402 11.0402 11.0749 11.0749 11.9925 11.9925 18.8891 18.8891 19.0949 19.0949 21.0111 21.0111 21.0390 21.0390 k = 0.0182 0.0182-0.0000 ( 1563 PWs) bands (ev): -11.4669 -11.4669 -7.4320 -7.4320 -7.4039 -7.4039 -6.9498 -6.9498 0.4772 0.4772 4.9584 4.9584 5.0967 5.0967 5.1395 5.1395 6.1104 6.1104 6.5653 6.5653 8.5560 8.5560 8.5600 8.5600 9.4625 9.4625 11.0538 11.0538 11.0823 11.0823 11.9997 11.9997 18.8804 18.8804 19.0817 19.0817 21.0149 21.0149 21.0311 21.0311 k = 0.0091 0.0091-0.0000 ( 1559 PWs) bands (ev): -11.4699 -11.4699 -7.4108 -7.4108 -7.4021 -7.4021 -6.9677 -6.9677 0.4735 0.4735 4.9662 4.9662 5.1126 5.1126 5.1242 5.1242 6.1082 6.1082 6.5480 6.5480 8.5594 8.5594 8.5604 8.5604 9.4620 9.4620 11.0609 11.0609 11.0879 11.0879 12.0040 12.0040 18.8751 18.8751 19.0738 19.0738 21.0160 21.0160 21.0278 21.0278 k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -11.4708 -11.4708 -7.4048 -7.4048 -7.4000 -7.4000 -6.9741 -6.9741 0.4722 0.4722 4.9691 4.9691 5.1166 5.1166 5.1201 5.1201 6.1075 6.1075 6.5421 6.5421 8.5605 8.5605 8.5606 8.5606 9.4618 9.4618 11.0631 11.0631 11.0899 11.0899 12.0055 12.0055 18.8733 18.8733 19.0712 19.0712 21.0158 21.0158 21.0272 21.0272 k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -11.4708 -11.4708 -7.4048 -7.4048 -7.4000 -7.4000 -6.9741 -6.9741 0.4722 0.4722 4.9691 4.9691 5.1166 5.1166 5.1201 5.1201 6.1075 6.1075 6.5421 6.5421 8.5605 8.5605 8.5606 8.5606 9.4618 9.4618 11.0631 11.0631 11.0899 11.0899 12.0055 12.0055 18.8733 18.8733 19.0712 19.0712 21.0158 21.0158 21.0272 21.0272 k = 0.0000 0.0000 0.0129 ( 1567 PWs) bands (ev): -11.4698 -11.4698 -7.4043 -7.4043 -7.3995 -7.3995 -6.9740 -6.9740 0.4726 0.4726 4.9702 4.9702 5.1174 5.1174 5.1209 5.1209 6.1044 6.1044 6.5408 6.5408 8.5569 8.5569 8.5570 8.5570 9.4582 9.4582 11.0623 11.0623 11.0892 11.0892 12.0044 12.0044 18.8791 18.8791 19.0748 19.0748 21.0203 21.0203 21.0318 21.0318 k = 0.0000 0.0000 0.0257 ( 1567 PWs) bands (ev): -11.4668 -11.4668 -7.4027 -7.4027 -7.3979 -7.3979 -6.9737 -6.9737 0.4738 0.4738 4.9735 4.9735 5.1198 5.1198 5.1233 5.1233 6.0954 6.0954 6.5367 6.5367 8.5463 8.5463 8.5463 8.5463 9.4475 9.4475 11.0599 11.0599 11.0868 11.0868 12.0014 12.0014 18.8967 18.8967 19.0858 19.0858 21.0341 21.0341 21.0457 21.0457 k = 0.0000 0.0000 0.0386 ( 1567 PWs) bands (ev): -11.4618 -11.4618 -7.4001 -7.4001 -7.3953 -7.3953 -6.9733 -6.9733 0.4758 0.4758 4.9790 4.9790 5.1238 5.1238 5.1274 5.1274 6.0805 6.0805 6.5300 6.5300 8.5286 8.5286 8.5287 8.5287 9.4298 9.4298 11.0560 11.0560 11.0829 11.0829 11.9962 11.9962 18.9258 18.9258 19.1040 19.1040 21.0571 21.0571 21.0686 21.0686 k = 0.0000 0.0000 0.0515 ( 1571 PWs) bands (ev): -11.4548 -11.4548 -7.3964 -7.3964 -7.3916 -7.3916 -6.9728 -6.9728 0.4786 0.4786 4.9866 4.9866 5.1295 5.1295 5.1330 5.1330 6.0598 6.0598 6.5206 6.5206 8.5041 8.5041 8.5041 8.5041 9.4052 9.4052 11.0505 11.0505 11.0774 11.0774 11.9890 11.9890 18.9665 18.9665 19.1291 19.1291 21.0890 21.0890 21.1006 21.1006 k = 0.0000 0.0000 0.0643 ( 1567 PWs) bands (ev): -11.4458 -11.4458 -7.3917 -7.3917 -7.3869 -7.3869 -6.9721 -6.9721 0.4821 0.4821 4.9964 4.9964 5.1367 5.1367 5.1403 5.1403 6.0335 6.0335 6.5084 6.5084 8.4728 8.4728 8.4729 8.4729 9.3740 9.3740 11.0435 11.0435 11.0702 11.0702 11.9797 11.9797 19.0183 19.0183 19.1612 19.1612 21.1297 21.1297 21.1414 21.1414 k = 0.0000 0.0000 0.0772 ( 1567 PWs) bands (ev): -11.4348 -11.4348 -7.3859 -7.3859 -7.3812 -7.3812 -6.9713 -6.9713 0.4864 0.4864 5.0084 5.0084 5.1455 5.1455 5.1492 5.1492 6.0019 6.0019 6.4933 6.4933 8.4350 8.4350 8.4351 8.4351 9.3363 9.3363 11.0348 11.0348 11.0615 11.0615 11.9684 11.9684 19.0811 19.0811 19.1997 19.1997 21.1791 21.1791 21.1908 21.1908 k = 0.0000 0.0000 0.0901 ( 1567 PWs) bands (ev): -11.4218 -11.4218 -7.3792 -7.3792 -7.3745 -7.3745 -6.9704 -6.9704 0.4915 0.4915 5.0226 5.0226 5.1560 5.1560 5.1597 5.1597 5.9653 5.9653 6.4755 6.4755 8.3909 8.3909 8.3910 8.3910 9.2926 9.2926 11.0245 11.0245 11.0511 11.0511 11.9550 11.9550 19.1546 19.1546 19.2444 19.2444 21.2368 21.2368 21.2486 21.2486 k = 0.0000 0.0000 0.1029 ( 1571 PWs) bands (ev): -11.4069 -11.4069 -7.3714 -7.3714 -7.3667 -7.3667 -6.9695 -6.9695 0.4973 0.4973 5.0389 5.0389 5.1680 5.1680 5.1717 5.1717 5.9241 5.9241 6.4547 6.4547 8.3407 8.3407 8.3409 8.3409 9.2430 9.2430 11.0125 11.0125 11.0391 11.0391 11.9394 11.9394 19.2383 19.2383 19.2949 19.2949 21.3026 21.3026 21.3145 21.3145 k = 0.0000 0.0000 0.1158 ( 1571 PWs) bands (ev): -11.3899 -11.3899 -7.3626 -7.3626 -7.3579 -7.3579 -6.9686 -6.9686 0.5038 0.5038 5.0574 5.0574 5.1816 5.1816 5.1854 5.1854 5.8785 5.8785 6.4309 6.4309 8.2848 8.2848 8.2850 8.2850 9.1881 9.1881 10.9990 10.9990 11.0254 11.0254 11.9218 11.9218 19.3319 19.3319 19.3508 19.3508 21.3762 21.3762 21.3882 21.3882 k = 0.0000 0.0000 0.1287 ( 1567 PWs) bands (ev): -11.3710 -11.3710 -7.3529 -7.3529 -7.3482 -7.3482 -6.9677 -6.9677 0.5109 0.5109 5.0780 5.0780 5.1967 5.1967 5.2006 5.2006 5.8290 5.8290 6.4041 6.4041 8.2235 8.2235 8.2238 8.2238 9.1282 9.1282 10.9837 10.9837 11.0101 11.0101 11.9020 11.9020 19.4117 19.4117 19.4350 19.4350 21.4573 21.4573 21.4694 21.4694 k = 0.0000 0.0000 0.1415 ( 1567 PWs) bands (ev): -11.3502 -11.3502 -7.3422 -7.3422 -7.3375 -7.3375 -6.9670 -6.9670 0.5187 0.5187 5.1008 5.1008 5.2134 5.2134 5.2174 5.2174 5.7761 5.7761 6.3741 6.3741 8.1571 8.1571 8.1574 8.1574 9.0638 9.0638 10.9668 10.9668 10.9930 10.9930 11.8801 11.8801 19.4769 19.4769 19.5470 19.5470 21.5454 21.5454 21.5576 21.5576 k = 0.0000 0.0000 0.1544 ( 1567 PWs) bands (ev): -11.3274 -11.3274 -7.3305 -7.3305 -7.3259 -7.3259 -6.9663 -6.9663 0.5271 0.5271 5.1257 5.1257 5.2317 5.2317 5.2358 5.2358 5.7201 5.7201 6.3410 6.3410 8.0859 8.0859 8.0863 8.0863 8.9953 8.9953 10.9481 10.9481 10.9743 10.9743 11.8560 11.8560 19.5461 19.5461 19.6675 19.6675 21.6401 21.6401 21.6526 21.6526 k = 0.0000 0.0000 0.1673 ( 1567 PWs) bands (ev): -11.3026 -11.3026 -7.3179 -7.3179 -7.3133 -7.3133 -6.9659 -6.9659 0.5361 0.5361 5.1528 5.1528 5.2514 5.2514 5.2557 5.2557 5.6616 5.6616 6.3045 6.3045 8.0103 8.0103 8.0108 8.0108 8.9231 8.9231 10.9278 10.9278 10.9538 10.9538 11.8298 11.8298 19.6185 19.6185 19.7959 19.7959 21.7412 21.7412 21.7538 21.7538 k = 0.0000 0.0000 0.1801 ( 1575 PWs) bands (ev): -11.2760 -11.2760 -7.3044 -7.3044 -7.2999 -7.2999 -6.9657 -6.9657 0.5457 0.5457 5.1819 5.1819 5.2727 5.2727 5.2770 5.2770 5.6010 5.6010 6.2646 6.2646 7.9307 7.9307 7.9313 7.9313 8.8478 8.8478 10.9058 10.9058 10.9317 10.9317 11.8013 11.8013 19.6938 19.6938 19.9317 19.9317 21.8481 21.8481 21.8608 21.8608 k = 0.0000 0.0000 0.1930 ( 1567 PWs) bands (ev): -11.2474 -11.2474 -7.2901 -7.2901 -7.2856 -7.2856 -6.9659 -6.9659 0.5558 0.5558 5.2132 5.2132 5.2954 5.2954 5.2999 5.2999 5.5388 5.5388 6.2212 6.2212 7.8475 7.8475 7.8481 7.8481 8.7697 8.7697 10.8820 10.8820 10.9078 10.9078 11.7707 11.7707 19.7712 19.7712 20.0744 20.0744 21.9604 21.9604 21.9734 21.9734 k = 0.0000 0.0000 0.2059 ( 1575 PWs) bands (ev): -11.2169 -11.2169 -7.2749 -7.2749 -7.2704 -7.2704 -6.9664 -6.9664 0.5664 0.5664 5.2466 5.2466 5.3195 5.3195 5.3243 5.3243 5.4754 5.4754 6.1743 6.1743 7.7608 7.7608 7.7616 7.7616 8.6893 8.6893 10.8565 10.8565 10.8822 10.8822 11.7378 11.7378 19.8500 19.8500 20.2232 20.2232 22.0778 22.0778 22.0909 22.0909 k = 0.0000 0.0000 0.2187 ( 1595 PWs) bands (ev): -11.1846 -11.1846 -7.2589 -7.2589 -7.2545 -7.2545 -6.9675 -6.9675 0.5774 0.5774 5.2821 5.2821 5.3445 5.3445 5.3501 5.3501 5.4119 5.4119 6.1237 6.1237 7.6713 7.6713 7.6721 7.6721 8.6070 8.6070 10.8293 10.8293 10.8548 10.8548 11.7027 11.7027 19.9298 19.9298 20.3776 20.3776 22.1997 22.1997 22.2129 22.2129 k = 0.0000 0.0000 0.2316 ( 1595 PWs) bands (ev): -11.1504 -11.1504 -7.2421 -7.2421 -7.2377 -7.2377 -6.9691 -6.9691 0.5888 0.5888 5.3196 5.3196 5.3438 5.3438 5.3753 5.3753 5.3774 5.3774 6.0694 6.0694 7.5791 7.5791 7.5800 7.5800 8.5232 8.5232 10.8005 10.8005 10.8257 10.8257 11.6654 11.6654 20.0098 20.0098 20.5370 20.5370 22.3257 22.3257 22.3391 22.3391 k = 0.0000 0.0000 0.2445 ( 1595 PWs) bands (ev): -11.1143 -11.1143 -7.2245 -7.2245 -7.2202 -7.2202 -6.9714 -6.9714 0.6007 0.6007 5.2815 5.2815 5.3592 5.3592 5.4019 5.4019 5.4060 5.4060 6.0114 6.0114 7.4847 7.4847 7.4857 7.4857 8.4384 8.4384 10.7699 10.7699 10.7950 10.7950 11.6258 11.6258 20.0894 20.0894 20.7007 20.7007 22.4553 22.4553 22.4689 22.4689 k = 0.0000 0.0000 0.2574 ( 1595 PWs) bands (ev): -11.0765 -11.0765 -7.2062 -7.2062 -7.2020 -7.2020 -6.9744 -6.9744 0.6129 0.6129 5.2181 5.2181 5.4008 5.4008 5.4315 5.4315 5.4361 5.4361 5.9495 5.9495 7.3884 7.3884 7.3895 7.3895 8.3528 8.3528 10.7377 10.7377 10.7626 10.7626 11.5840 11.5840 20.1679 20.1679 20.8681 20.8681 22.5737 22.5737 22.5882 22.5882 k = 0.0000 0.0000 0.2702 ( 1595 PWs) bands (ev): -11.0368 -11.0368 -7.1873 -7.1873 -7.1831 -7.1831 -6.9782 -6.9782 0.6254 0.6254 5.1557 5.1557 5.4444 5.4444 5.4626 5.4626 5.4674 5.4674 5.8838 5.8838 7.2905 7.2905 7.2917 7.2917 8.2669 8.2669 10.7039 10.7039 10.7286 10.7286 11.5399 11.5399 20.2447 20.2447 21.0384 21.0384 22.5616 22.5616 22.7239 22.7239 k = 0.0000 0.0000 0.2831 ( 1595 PWs) bands (ev): -10.9953 -10.9953 -7.1677 -7.1677 -7.1635 -7.1635 -6.9829 -6.9829 0.6383 0.6383 5.0947 5.0947 5.4901 5.4901 5.4949 5.4949 5.5000 5.5000 5.8144 5.8144 7.1913 7.1913 7.1927 7.1927 8.1808 8.1808 10.6685 10.6685 10.6930 10.6930 11.4935 11.4935 20.3191 20.3191 21.2110 21.2110 22.5550 22.5550 22.8620 22.8620 k = 0.0000 0.0000 0.2960 ( 1595 PWs) bands (ev): -10.9521 -10.9521 -7.1475 -7.1475 -7.1434 -7.1434 -6.9887 -6.9887 0.6515 0.6515 5.0354 5.0354 5.5286 5.5286 5.5337 5.5337 5.5378 5.5378 5.7413 5.7413 7.0913 7.0913 7.0928 7.0928 8.0948 8.0948 10.6315 10.6315 10.6557 10.6557 11.4449 11.4449 20.3906 20.3906 21.3850 21.3850 22.5554 22.5554 23.0019 23.0019 k = 0.0000 0.0000 0.3088 ( 1595 PWs) bands (ev): -10.9071 -10.9071 -7.1268 -7.1268 -7.1227 -7.1227 -6.9956 -6.9956 0.6651 0.6651 4.9784 4.9784 5.5633 5.5633 5.5685 5.5685 5.5870 5.5870 5.6649 5.6649 6.9906 6.9906 6.9924 6.9924 8.0092 8.0092 10.5929 10.5929 10.6169 10.6169 11.3940 11.3940 20.4586 20.4586 21.5597 21.5597 22.5633 22.5633 23.1433 23.1433 k = 0.0000 0.0000 0.3217 ( 1579 PWs) bands (ev): -10.8605 -10.8605 -7.1055 -7.1055 -7.1015 -7.1015 -7.0037 -7.0037 0.6789 0.6789 4.9239 4.9239 5.5799 5.5799 5.5992 5.5992 5.6074 5.6074 5.6401 5.6401 6.8897 6.8897 6.8917 6.8917 7.9241 7.9241 10.5528 10.5528 10.5766 10.5766 11.3409 11.3409 20.5228 20.5228 21.7344 21.7344 22.5791 22.5791 23.2859 23.2859 k = 0.0000 0.0000 0.3346 ( 1579 PWs) bands (ev): -10.8121 -10.8121 -7.0838 -7.0838 -7.0799 -7.0799 -7.0131 -7.0131 0.6931 0.6931 4.8722 4.8722 5.4981 5.4981 5.6359 5.6359 5.6427 5.6427 5.6930 5.6930 6.7889 6.7889 6.7911 6.7911 7.8397 7.8397 10.5113 10.5113 10.5348 10.5348 11.2855 11.2855 20.5828 20.5828 21.9078 21.9078 22.6028 22.6028 23.4289 23.4289 k = 0.0000 0.0000 0.3474 ( 1579 PWs) bands (ev): -10.7621 -10.7621 -7.0618 -7.0618 -7.0578 -7.0578 -7.0239 -7.0239 0.7076 0.7076 4.8236 4.8236 5.4108 5.4108 5.6734 5.6734 5.6804 5.6804 5.7483 5.7483 6.6886 6.6886 6.6911 6.6911 7.7560 7.7560 10.4683 10.4683 10.4915 10.4915 11.2279 11.2279 20.6386 20.6386 22.0791 22.0791 22.6345 22.6345 23.5720 23.5720 k = 0.0000 0.0000 0.3603 ( 1579 PWs) bands (ev): -10.7105 -10.7105 -7.0405 -7.0405 -7.0354 -7.0354 -7.0352 -7.0352 0.7226 0.7226 4.7784 4.7784 5.3201 5.3201 5.7114 5.7114 5.7189 5.7189 5.8056 5.8056 6.5891 6.5891 6.5920 6.5920 7.6731 7.6731 10.4240 10.4240 10.4469 10.4469 11.1681 11.1681 20.6902 20.6902 22.2472 22.2472 22.6741 22.6741 23.7149 23.7149 k = 0.0000 0.0000 0.3732 ( 1579 PWs) bands (ev): -10.6573 -10.6573 -7.0506 -7.0506 -7.0163 -7.0163 -7.0127 -7.0127 0.7380 0.7380 4.7369 4.7369 5.2263 5.2263 5.7496 5.7496 5.7575 5.7575 5.8648 5.8648 6.4912 6.4912 6.4945 6.4945 7.5910 7.5910 10.3783 10.3783 10.4010 10.4010 11.1061 11.1061 20.7378 20.7378 22.4111 22.4111 22.7213 22.7213 23.8570 23.8570 k = 0.0000 0.0000 0.3860 ( 1575 PWs) bands (ev): -10.6026 -10.6026 -7.0663 -7.0663 -6.9933 -6.9933 -6.9898 -6.9898 0.7539 0.7539 4.6991 4.6991 5.1296 5.1296 5.7870 5.7870 5.7957 5.7957 5.9258 5.9258 6.3956 6.3956 6.3996 6.3996 7.5098 7.5098 10.3314 10.3314 10.3537 10.3537 11.0419 11.0419 20.7816 20.7816 22.5699 22.5699 22.7758 22.7758 23.9980 23.9980 k = 0.0000 0.0000 0.3989 ( 1579 PWs) bands (ev): -10.5463 -10.5463 -7.0838 -7.0838 -6.9701 -6.9701 -6.9667 -6.9667 0.7704 0.7704 4.6653 4.6653 5.0303 5.0303 5.8224 5.8224 5.8321 5.8321 5.9886 5.9886 6.3039 6.3039 6.3087 6.3087 7.4295 7.4295 10.2833 10.2833 10.3053 10.3053 10.9756 10.9756 20.8223 20.8223 22.7215 22.7215 22.8370 22.8370 24.1374 24.1374 k = 0.0000 0.0000 0.4118 ( 1583 PWs) bands (ev): -10.4886 -10.4886 -7.1032 -7.1032 -6.9468 -6.9468 -6.9434 -6.9434 0.7876 0.7876 4.6356 4.6356 4.9287 4.9287 5.8525 5.8525 5.8635 5.8635 6.0531 6.0531 6.2195 6.2195 6.2254 6.2254 7.3499 7.3499 10.2341 10.2341 10.2558 10.2558 10.9073 10.9073 20.8602 20.8602 22.8650 22.8650 22.9044 22.9044 24.2747 24.2747 k = 0.0000 0.0000 0.4246 ( 1575 PWs) bands (ev): -10.4294 -10.4294 -7.1246 -7.1246 -6.9234 -6.9234 -6.9201 -6.9201 0.8056 0.8056 4.6102 4.6102 4.8250 4.8250 5.8698 5.8698 5.8821 5.8821 6.1184 6.1184 6.1513 6.1513 6.1572 6.1572 7.2712 7.2712 10.1839 10.1839 10.2052 10.2052 10.8369 10.8369 20.8960 20.8960 22.9773 22.9773 22.9990 22.9990 24.4097 24.4097 k = 0.0000 0.0000 0.4375 ( 1575 PWs) bands (ev): -10.3688 -10.3688 -7.1481 -7.1481 -6.9000 -6.9000 -6.8968 -6.8968 0.8244 0.8244 4.5890 4.5890 4.7195 4.7195 5.8602 5.8602 5.8719 5.8719 6.1113 6.1113 6.1185 6.1185 6.1885 6.1885 7.1931 7.1931 10.1327 10.1327 10.1537 10.1537 10.7645 10.7645 20.9302 20.9302 23.0551 23.0551 23.1218 23.1218 24.5417 24.5417 k = 0.0000 0.0000 0.4504 ( 1583 PWs) bands (ev): -10.3069 -10.3069 -7.1737 -7.1737 -6.8767 -6.8767 -6.8736 -6.8736 0.8443 0.8443 4.5722 4.5722 4.6123 4.6123 5.8159 5.8159 5.8247 5.8247 6.1131 6.1131 6.1171 6.1171 6.2580 6.2580 7.1157 7.1157 10.0806 10.0806 10.1011 10.1011 10.6902 10.6902 20.9634 20.9634 23.1371 23.1371 23.2321 23.2321 24.6705 24.6705 k = 0.0000 0.0000 0.4632 ( 1583 PWs) bands (ev): -10.2437 -10.2437 -7.2015 -7.2015 -6.8535 -6.8535 -6.8505 -6.8505 0.8654 0.8654 4.5038 4.5038 4.5598 4.5598 5.7491 5.7491 5.7553 5.7553 6.1396 6.1396 6.1408 6.1408 6.3294 6.3294 7.0389 7.0389 10.0278 10.0278 10.0480 10.0480 10.6140 10.6140 20.9963 20.9963 23.2227 23.2227 23.3284 23.3284 24.7955 24.7955 k = 0.0000 0.0000 0.4761 ( 1599 PWs) bands (ev): -10.1792 -10.1792 -7.2315 -7.2315 -6.8306 -6.8306 -6.8276 -6.8276 0.8878 0.8878 4.3942 4.3942 4.5517 4.5517 5.6731 5.6731 5.6776 5.6776 6.1766 6.1766 6.1772 6.1772 6.4024 6.4024 6.9627 6.9627 9.9744 9.9744 9.9941 9.9941 10.5360 10.5360 21.0291 21.0291 23.3115 23.3115 23.4094 23.4094 24.9164 24.9164 k = 0.0000 0.0000 0.4890 ( 1599 PWs) bands (ev): -10.1135 -10.1135 -7.2638 -7.2638 -6.8079 -6.8079 -6.8050 -6.8050 0.9116 0.9116 4.2837 4.2837 4.5479 4.5479 5.5943 5.5943 5.5977 5.5977 6.2181 6.2181 6.2200 6.2200 6.4771 6.4771 6.8869 6.8869 9.9204 9.9204 9.9397 9.9397 10.4563 10.4563 21.0625 21.0625 23.4028 23.4028 23.4742 23.4742 25.0328 25.0328 k = 0.0000 0.0000 0.5018 ( 1583 PWs) bands (ev): -10.0467 -10.0467 -7.2983 -7.2983 -6.7855 -6.7855 -6.7827 -6.7827 0.9370 0.9370 4.1727 4.1727 4.5485 4.5485 5.5153 5.5153 5.5180 5.5180 6.2627 6.2627 6.2654 6.2654 6.5533 6.5533 6.8116 6.8116 9.8661 9.8661 9.8850 9.8850 10.3749 10.3749 21.0970 21.0970 23.4964 23.4964 23.5225 23.5225 25.1446 25.1446 k = 0.0000 0.0000 0.5147 ( 1583 PWs) bands (ev): -9.9787 -9.9787 -7.3352 -7.3352 -6.7635 -6.7635 -6.7609 -6.7609 0.9642 0.9642 4.0613 4.0613 4.5532 4.5532 5.4376 5.4376 5.4397 5.4397 6.3092 6.3092 6.3125 6.3125 6.6309 6.6309 6.7369 6.7369 9.8116 9.8116 9.8299 9.8299 10.2918 10.2918 21.1327 21.1327 23.5536 23.5536 23.5916 23.5916 25.2510 25.2510 k = 0.0000 0.0000 0.5276 ( 1583 PWs) bands (ev): -9.9098 -9.9098 -7.3745 -7.3745 -6.7420 -6.7420 -6.7395 -6.7395 0.9933 0.9933 3.9497 3.9497 4.5621 4.5621 5.3618 5.3618 5.3635 5.3635 6.3567 6.3567 6.3604 6.3604 6.6615 6.6615 6.7109 6.7109 9.7569 9.7569 9.7748 9.7748 10.2073 10.2073 21.1699 21.1699 23.5680 23.5680 23.6882 23.6882 25.3519 25.3519 k = 0.0000 0.0000 0.5404 ( 1583 PWs) bands (ev): -9.8398 -9.8398 -7.4160 -7.4160 -6.7211 -6.7211 -6.7187 -6.7187 1.0244 1.0244 3.8382 3.8382 4.5750 4.5750 5.2884 5.2884 5.2899 5.2899 6.4048 6.4048 6.4088 6.4088 6.5877 6.5877 6.7911 6.7911 9.7024 9.7024 9.7197 9.7197 10.1213 10.1213 21.2089 21.2089 23.5667 23.5667 23.7858 23.7858 25.4470 25.4471 k = 0.0000 0.0000 0.5533 ( 1587 PWs) bands (ev): -9.7690 -9.7690 -7.4600 -7.4600 -6.7009 -6.7009 -6.6986 -6.6986 1.0577 1.0577 3.7269 3.7269 4.5917 4.5917 5.2178 5.2178 5.2191 5.2191 6.4531 6.4531 6.4574 6.4574 6.5139 6.5139 6.8731 6.8731 9.6481 9.6481 9.6648 9.6648 10.0339 10.0339 21.2500 21.2500 23.5506 23.5506 23.8842 23.8842 25.5363 25.5364 k = 0.0000 0.0000 0.5662 ( 1583 PWs) bands (ev): -9.6973 -9.6973 -7.5061 -7.5061 -6.6813 -6.6813 -6.6791 -6.6791 1.0933 1.0933 3.6161 3.6161 4.6123 4.6123 5.1503 5.1503 5.1513 5.1513 6.4403 6.4403 6.5015 6.5015 6.5061 6.5061 6.9564 6.9564 9.5943 9.5943 9.6104 9.6104 9.9452 9.9452 21.2933 21.2933 23.5215 23.5215 23.9831 23.9831 25.6195 25.6195 k = 0.0000 0.0000 0.5790 ( 1591 PWs) bands (ev): -9.6249 -9.6249 -7.5546 -7.5546 -6.6625 -6.6625 -6.6604 -6.6604 1.1313 1.1313 3.5060 3.5060 4.6365 4.6365 5.0859 5.0859 5.0868 5.0868 6.3671 6.3671 6.5495 6.5495 6.5542 6.5542 7.0410 7.0410 9.5411 9.5411 9.5567 9.5567 9.8553 9.8553 21.3389 21.3389 23.4808 23.4808 24.0822 24.0822 25.6965 25.6965 k = 0.0000 0.0000 0.5919 ( 1575 PWs) bands (ev): -9.5517 -9.5517 -7.6053 -7.6053 -6.6445 -6.6445 -6.6425 -6.6425 1.1719 1.1719 3.3967 3.3967 4.6641 4.6641 5.0250 5.0250 5.0258 5.0258 6.2942 6.2942 6.5970 6.5970 6.6018 6.6018 7.1269 7.1269 9.4889 9.4889 9.5038 9.5038 9.7644 9.7644 21.3870 21.3870 23.4303 23.4303 24.1814 24.1814 25.7673 25.7674 k = 0.0000 0.0000 0.6048 ( 1575 PWs) bands (ev): -9.4779 -9.4779 -7.6581 -7.6581 -6.6274 -6.6274 -6.6256 -6.6256 1.2150 1.2150 3.2884 3.2884 4.6951 4.6951 4.9677 4.9677 4.9683 4.9683 6.2217 6.2217 6.6436 6.6436 6.6485 6.6485 7.2140 7.2140 9.4379 9.4379 9.4521 9.4521 9.6724 9.6724 21.4376 21.4376 23.3713 23.3713 24.2804 24.2804 25.8320 25.8325 k = 0.0000 0.0000 0.6176 ( 1575 PWs) bands (ev): -9.4036 -9.4036 -7.7130 -7.7130 -6.6113 -6.6113 -6.6096 -6.6096 1.2610 1.2610 3.1812 3.1812 4.7293 4.7293 4.9141 4.9141 4.9146 4.9146 6.1496 6.1496 6.6891 6.6891 6.6939 6.6939 7.3021 7.3021 9.3884 9.3884 9.4019 9.4019 9.5795 9.5795 21.4909 21.4909 23.3055 23.3055 24.3791 24.3791 25.8906 25.8908 k = 0.0000 0.0000 0.6305 ( 1574 PWs) bands (ev): -9.3288 -9.3288 -7.7700 -7.7700 -6.5962 -6.5962 -6.5946 -6.5946 1.3096 1.3096 3.0754 3.0754 4.7666 4.7666 4.8643 4.8643 4.8647 4.8647 6.0778 6.0778 6.7331 6.7331 6.7379 6.7379 7.3914 7.3914 9.3408 9.3408 9.3534 9.3534 9.4857 9.4857 21.5467 21.5467 23.2341 23.2341 24.4773 24.4773 25.9435 25.9440 k = 0.0000 0.0000 0.6434 ( 1574 PWs) bands (ev): -9.2537 -9.2537 -7.8289 -7.8289 -6.5822 -6.5822 -6.5808 -6.5808 1.3612 1.3612 2.9710 2.9710 4.8065 4.8065 4.8187 4.8187 4.8188 4.8188 6.0066 6.0066 6.7753 6.7753 6.7799 6.7799 7.4816 7.4816 9.2953 9.2953 9.3070 9.3070 9.3912 9.3912 21.6051 21.6051 23.1583 23.1583 24.5747 24.5747 25.9903 25.9911 k = 0.0000 0.0000 0.6562 ( 1574 PWs) bands (ev): -9.1783 -9.1783 -7.8896 -7.8896 -6.5694 -6.5694 -6.5681 -6.5681 1.4156 1.4156 2.8683 2.8683 4.7766 4.7766 4.7770 4.7770 4.8496 4.8496 5.9359 5.9359 6.8154 6.8154 6.8198 6.8198 7.5728 7.5728 9.2523 9.2523 9.2631 9.2631 9.2961 9.2961 21.6662 21.6662 23.0790 23.0790 24.6714 24.6714 26.0223 26.0240 k = 0.0000 0.0000 0.6691 ( 1574 PWs) bands (ev): -9.1027 -9.1027 -7.9521 -7.9521 -6.5577 -6.5577 -6.5566 -6.5566 1.4729 1.4729 2.7673 2.7673 4.7390 4.7390 4.7393 4.7393 4.8951 4.8951 5.8657 5.8657 6.8529 6.8529 6.8571 6.8571 7.6649 7.6649 9.2003 9.2003 9.2123 9.2123 9.2223 9.2223 21.7298 21.7298 22.9972 22.9972 24.7670 24.7670 25.9852 25.9853 k = 0.0000 0.0000 0.6820 ( 1574 PWs) bands (ev): -9.0269 -9.0269 -8.0163 -8.0163 -6.5473 -6.5473 -6.5463 -6.5463 1.5332 1.5332 2.6682 2.6682 4.7056 4.7056 4.7059 4.7059 4.9430 4.9430 5.7963 5.7963 6.8874 6.8874 6.8913 6.8913 7.7578 7.7578 9.1042 9.1042 9.1756 9.1756 9.1845 9.1845 21.7959 21.7959 22.9136 22.9136 24.8613 24.8613 25.9364 25.9364 k = 0.0000 0.0000 0.6948 ( 1582 PWs) bands (ev): -8.9512 -8.9512 -8.0820 -8.0820 -6.5382 -6.5382 -6.5373 -6.5373 1.5964 1.5964 2.5711 2.5711 4.6765 4.6765 4.6767 4.6767 4.9932 4.9932 5.7275 5.7275 6.9186 6.9186 6.9221 6.9221 7.8515 7.8515 9.0076 9.0076 9.1427 9.1427 9.1506 9.1506 21.8645 21.8645 22.8287 22.8287 24.9543 24.9543 25.8826 25.8827 k = 0.0000 0.0000 0.7077 ( 1582 PWs) bands (ev): -8.8756 -8.8756 -8.1492 -8.1492 -6.5304 -6.5304 -6.5297 -6.5297 1.6626 1.6626 2.4760 2.4760 4.6518 4.6518 4.6520 4.6520 5.0455 5.0455 5.6595 5.6595 6.9459 6.9459 6.9490 6.9490 7.9459 7.9459 8.9108 8.9108 9.1141 9.1141 9.1208 9.1208 21.9355 21.9355 22.7433 22.7433 25.0457 25.0457 25.8242 25.8242 k = 0.0000 0.0000 0.7206 ( 1574 PWs) bands (ev): -8.8002 -8.8002 -8.2177 -8.2177 -6.5240 -6.5240 -6.5234 -6.5234 1.7316 1.7316 2.3833 2.3833 4.6315 4.6315 4.6316 4.6316 5.0999 5.0999 5.5925 5.5925 6.9691 6.9691 6.9716 6.9716 8.0409 8.0409 8.8138 8.8138 9.0901 9.0901 9.0955 9.0955 22.0088 22.0088 22.6578 22.6578 25.1354 25.1354 25.7614 25.7614 k = 0.0000 0.0000 0.7334 ( 1574 PWs) bands (ev): -8.7251 -8.7251 -8.2875 -8.2875 -6.5189 -6.5189 -6.5185 -6.5185 1.8036 1.8036 2.2928 2.2928 4.6157 4.6157 4.6158 4.6158 5.1562 5.1562 5.5264 5.5264 6.9876 6.9876 6.9895 6.9895 8.1364 8.1364 8.7167 8.7167 9.0712 9.0712 9.0753 9.0753 22.0842 22.0842 22.5726 22.5726 25.2231 25.2231 25.6945 25.6945 k = 0.0000 0.0000 0.7463 ( 1586 PWs) bands (ev): -8.6505 -8.6505 -8.3583 -8.3583 -6.5153 -6.5153 -6.5150 -6.5150 1.8783 1.8783 2.2047 2.2047 4.6043 4.6043 4.6044 4.6044 5.2142 5.2142 5.4614 5.4614 7.0012 7.0012 7.0025 7.0025 8.2324 8.2324 8.6195 8.6195 9.0576 9.0576 9.0604 9.0604 22.1616 22.1616 22.4879 22.4879 25.3086 25.3086 25.6237 25.6237 k = 0.0000 0.0000 0.7592 ( 1586 PWs) bands (ev): -8.5764 -8.5764 -8.4302 -8.4302 -6.5131 -6.5131 -6.5129 -6.5129 1.9559 1.9559 2.1192 2.1192 4.5975 4.5975 4.5976 4.5976 5.2738 5.2738 5.3975 5.3975 7.0096 7.0096 7.0102 7.0102 8.3288 8.3288 8.5224 8.5224 9.0496 9.0496 9.0510 9.0510 22.2409 22.2409 22.4043 22.4043 25.3917 25.3917 25.5495 25.5495 k = 0.0000 0.0000 0.7721 ( 1586 PWs) bands (ev): -8.5029 -8.5029 -8.5029 -8.5029 -6.5123 -6.5123 -6.5123 -6.5123 2.0362 2.0362 2.0362 2.0362 4.5953 4.5953 4.5953 4.5953 5.3350 5.3350 5.3350 5.3350 7.0126 7.0126 7.0126 7.0126 8.4255 8.4255 8.4255 8.4255 9.0474 9.0474 9.0475 9.0475 22.3218 22.3218 22.3218 22.3218 25.4720 25.4720 25.4721 25.4721 k = 0.0000 0.0000 0.7721 ( 1586 PWs) bands (ev): -8.5029 -8.5029 -8.5029 -8.5029 -6.5123 -6.5123 -6.5123 -6.5123 2.0362 2.0362 2.0362 2.0362 4.5953 4.5953 4.5953 4.5953 5.3350 5.3350 5.3350 5.3350 7.0126 7.0126 7.0126 7.0126 8.4255 8.4255 8.4255 8.4255 9.0474 9.0474 9.0475 9.0475 22.3218 22.3218 22.3218 22.3218 25.4720 25.4720 25.4721 25.4721 k = 0.0000 0.0128 0.7721 ( 1584 PWs) bands (ev): -8.5025 -8.5025 -8.5024 -8.5024 -6.5128 -6.5128 -6.5127 -6.5127 2.0360 2.0360 2.0360 2.0360 4.5953 4.5953 4.5956 4.5956 5.3300 5.3300 5.3302 5.3302 7.0164 7.0164 7.0173 7.0173 8.4268 8.4268 8.4274 8.4274 9.0480 9.0480 9.0483 9.0483 22.3212 22.3212 22.3218 22.3218 25.4600 25.4600 25.4615 25.4615 k = 0.0000 0.0256 0.7721 ( 1584 PWs) bands (ev): -8.5012 -8.5012 -8.5010 -8.5010 -6.5143 -6.5143 -6.5142 -6.5142 2.0354 2.0354 2.0354 2.0354 4.5956 4.5956 4.5962 4.5962 5.3156 5.3156 5.3160 5.3160 7.0286 7.0286 7.0302 7.0302 8.4315 8.4315 8.4326 8.4326 9.0500 9.0500 9.0506 9.0506 22.3199 22.3199 22.3211 22.3211 25.4271 25.4271 25.4299 25.4299 k = 0.0000 0.0385 0.7721 ( 1580 PWs) bands (ev): -8.4990 -8.4990 -8.4987 -8.4987 -6.5168 -6.5168 -6.5167 -6.5167 2.0344 2.0344 2.0345 2.0345 4.5961 4.5961 4.5969 4.5969 5.2923 5.2923 5.2929 5.2929 7.0484 7.0484 7.0508 7.0508 8.4393 8.4393 8.4410 8.4410 9.0536 9.0536 9.0545 9.0545 22.3178 22.3178 22.3197 22.3197 25.3771 25.3772 25.3812 25.3812 k = 0.0000 0.0513 0.7721 ( 1580 PWs) bands (ev): -8.4959 -8.4959 -8.4955 -8.4955 -6.5204 -6.5204 -6.5202 -6.5202 2.0331 2.0331 2.0332 2.0332 4.5966 4.5966 4.5977 4.5977 5.2611 5.2611 5.2619 5.2619 7.0750 7.0750 7.0783 7.0783 8.4502 8.4502 8.4524 8.4524 9.0589 9.0589 9.0600 9.0600 22.3150 22.3150 22.3175 22.3175 25.3145 25.3145 25.3197 25.3197 k = 0.0000 0.0641 0.7721 ( 1584 PWs) bands (ev): -8.4919 -8.4919 -8.4915 -8.4915 -6.5249 -6.5249 -6.5247 -6.5247 2.0315 2.0315 2.0316 2.0316 4.5970 4.5970 4.5983 4.5983 5.2231 5.2231 5.2243 5.2243 7.1074 7.1074 7.1114 7.1114 8.4638 8.4638 8.4666 8.4666 9.0661 9.0661 9.0675 9.0675 22.3114 22.3114 22.3145 22.3145 25.2428 25.2428 25.2491 25.2491 k = 0.0000 0.0769 0.7721 ( 1588 PWs) bands (ev): -8.4871 -8.4871 -8.4865 -8.4865 -6.5304 -6.5304 -6.5301 -6.5301 2.0297 2.0297 2.0298 2.0298 4.5969 4.5969 4.5984 4.5984 5.1798 5.1798 5.1814 5.1814 7.1445 7.1445 7.1492 7.1492 8.4801 8.4801 8.4834 8.4834 9.0754 9.0754 9.0771 9.0771 22.3068 22.3068 22.3105 22.3105 25.1646 25.1646 25.1720 25.1720 k = 0.0000 0.0897 0.7721 ( 1588 PWs) bands (ev): -8.4814 -8.4814 -8.4808 -8.4808 -6.5368 -6.5368 -6.5365 -6.5365 2.0276 2.0276 2.0278 2.0278 4.5958 4.5958 4.5973 4.5973 5.1326 5.1326 5.1347 5.1347 7.1849 7.1849 7.1904 7.1904 8.4988 8.4988 8.5025 8.5025 9.0871 9.0871 9.0891 9.0891 22.3011 22.3011 22.3054 22.3054 25.0819 25.0819 25.0902 25.0902 k = 0.0000 0.1026 0.7721 ( 1588 PWs) bands (ev): -8.4749 -8.4749 -8.4742 -8.4742 -6.5441 -6.5441 -6.5438 -6.5438 2.0255 2.0255 2.0258 2.0258 4.5929 4.5929 4.5943 4.5943 5.0833 5.0833 5.0861 5.0861 7.2277 7.2277 7.2338 7.2338 8.5195 8.5195 8.5238 8.5238 9.1015 9.1015 9.1038 9.1038 22.2943 22.2943 22.2992 22.2992 24.9958 24.9958 25.0051 25.0051 k = 0.0000 0.1154 0.7721 ( 1588 PWs) bands (ev): -8.4676 -8.4676 -8.4668 -8.4668 -6.5523 -6.5523 -6.5520 -6.5520 2.0234 2.0234 2.0237 2.0237 4.5870 4.5870 4.5883 4.5883 5.0339 5.0339 5.0374 5.0374 7.2718 7.2718 7.2785 7.2785 8.5421 8.5421 8.5468 8.5468 9.1189 9.1189 9.1214 9.1214 22.2862 22.2862 22.2916 22.2916 24.9074 24.9074 24.9176 24.9176 k = 0.0000 0.1282 0.7721 ( 1588 PWs) bands (ev): -8.4595 -8.4595 -8.4586 -8.4586 -6.5615 -6.5615 -6.5611 -6.5611 2.0214 2.0214 2.0217 2.0217 4.5768 4.5768 4.5778 4.5778 4.9865 4.9865 4.9909 4.9909 7.3161 7.3161 7.3234 7.3234 8.5663 8.5663 8.5715 8.5715 9.1394 9.1394 9.1423 9.1423 22.2767 22.2767 22.2826 22.2826 24.8174 24.8174 24.8286 24.8286 k = 0.0000 0.1410 0.7721 ( 1588 PWs) bands (ev): -8.4506 -8.4506 -8.4497 -8.4497 -6.5714 -6.5714 -6.5710 -6.5710 2.0195 2.0195 2.0198 2.0198 4.5602 4.5602 4.5607 4.5607 4.9439 4.9439 4.9493 4.9493 7.3597 7.3597 7.3676 7.3676 8.5921 8.5921 8.5977 8.5977 9.1633 9.1633 9.1664 9.1664 22.2656 22.2656 22.2720 22.2720 24.7264 24.7264 24.7385 24.7385 k = 0.0000 0.1538 0.7721 ( 1584 PWs) bands (ev): -8.4411 -8.4411 -8.4400 -8.4400 -6.5821 -6.5821 -6.5817 -6.5817 2.0178 2.0178 2.0182 2.0182 4.5352 4.5352 4.5354 4.5354 4.9085 4.9085 4.9149 4.9149 7.4019 7.4019 7.4103 7.4103 8.6194 8.6194 8.6254 8.6254 9.1906 9.1906 9.1940 9.1940 22.2528 22.2528 22.2597 22.2597 24.6349 24.6349 24.6479 24.6479 k = 0.0000 0.1667 0.7721 ( 1584 PWs) bands (ev): -8.4308 -8.4308 -8.4297 -8.4297 -6.5936 -6.5936 -6.5932 -6.5932 2.0165 2.0165 2.0169 2.0169 4.5005 4.5005 4.5007 4.5007 4.8820 4.8820 4.8893 4.8893 7.4419 7.4419 7.4508 7.4508 8.6482 8.6482 8.6545 8.6545 9.2212 9.2212 9.2249 9.2249 22.2382 22.2382 22.2455 22.2455 24.5432 24.5432 24.5571 24.5571 k = 0.0000 0.1795 0.7721 ( 1584 PWs) bands (ev): -8.4199 -8.4199 -8.4187 -8.4187 -6.6058 -6.6058 -6.6054 -6.6054 2.0157 2.0157 2.0161 2.0161 4.4566 4.4566 4.4569 4.4569 4.8647 4.8647 4.8726 4.8726 7.4790 7.4790 7.4884 7.4884 8.6787 8.6787 8.6853 8.6853 9.2550 9.2550 9.2589 9.2589 22.2218 22.2218 22.2294 22.2294 24.4518 24.4518 24.4666 24.4666 k = 0.0000 0.1923 0.7721 ( 1584 PWs) bands (ev): -8.4085 -8.4085 -8.4072 -8.4072 -6.6186 -6.6186 -6.6182 -6.6182 2.0153 2.0153 2.0158 2.0158 4.4049 4.4049 4.4052 4.4052 4.8552 4.8552 4.8636 4.8636 7.5128 7.5128 7.5225 7.5225 8.7111 8.7111 8.7179 8.7179 9.2918 9.2918 9.2959 9.2959 22.2034 22.2034 22.2114 22.2114 24.3610 24.3610 24.3766 24.3766 k = 0.0000 0.2051 0.7721 ( 1584 PWs) bands (ev): -8.3964 -8.3964 -8.3951 -8.3951 -6.6321 -6.6321 -6.6316 -6.6316 2.0156 2.0156 2.0161 2.0161 4.3475 4.3475 4.3477 4.3477 4.8521 4.8521 4.8608 4.8608 7.5428 7.5428 7.5528 7.5528 8.7454 8.7454 8.7524 8.7524 9.3311 9.3311 9.3354 9.3354 22.1830 22.1830 22.1913 22.1913 24.2710 24.2710 24.2875 24.2875 k = 0.0000 0.2179 0.7721 ( 1580 PWs) bands (ev): -8.3839 -8.3839 -8.3825 -8.3825 -6.6461 -6.6461 -6.6456 -6.6456 2.0165 2.0165 2.0171 2.0171 4.2861 4.2861 4.2862 4.2862 4.8535 4.8535 4.8626 4.8626 7.5689 7.5689 7.5791 7.5791 8.7819 8.7819 8.7890 8.7890 9.3725 9.3725 9.3771 9.3771 22.1607 22.1607 22.1693 22.1693 24.1822 24.1822 24.1994 24.1994 k = 0.0000 0.2308 0.7721 ( 1576 PWs) bands (ev): -8.3710 -8.3710 -8.3694 -8.3694 -6.6605 -6.6605 -6.6601 -6.6601 2.0182 2.0182 2.0189 2.0189 4.2220 4.2220 4.2224 4.2224 4.8584 4.8584 4.8676 4.8676 7.5907 7.5907 7.6011 7.6011 8.8206 8.8206 8.8276 8.8276 9.4156 9.4156 9.4204 9.4204 22.1366 22.1366 22.1454 22.1454 24.0947 24.0947 24.1128 24.1128 k = 0.0000 0.2436 0.7721 ( 1576 PWs) bands (ev): -8.3577 -8.3577 -8.3560 -8.3560 -6.6753 -6.6753 -6.6749 -6.6749 2.0207 2.0207 2.0214 2.0214 4.1566 4.1566 4.1573 4.1573 4.8657 4.8657 4.8751 4.8751 7.6084 7.6084 7.6189 7.6189 8.8613 8.8613 8.8683 8.8683 9.4599 9.4599 9.4649 9.4649 22.1106 22.1106 22.1196 22.1196 24.0090 24.0090 24.0278 24.0278 k = 0.0000 0.2564 0.7721 ( 1580 PWs) bands (ev): -8.3441 -8.3441 -8.3424 -8.3424 -6.6905 -6.6905 -6.6901 -6.6901 2.0240 2.0240 2.0248 2.0248 4.0906 4.0906 4.0916 4.0916 4.8748 4.8748 4.8843 4.8843 7.6221 7.6221 7.6326 7.6326 8.9041 8.9041 8.9109 8.9109 9.5049 9.5049 9.5101 9.5101 22.0830 22.0830 22.0921 22.0921 23.9251 23.9251 23.9447 23.9447 k = 0.0000 0.2692 0.7721 ( 1584 PWs) bands (ev): -8.3303 -8.3303 -8.3284 -8.3284 -6.7059 -6.7059 -6.7055 -6.7055 2.0282 2.0282 2.0291 2.0291 4.0246 4.0246 4.0259 4.0259 4.8851 4.8851 4.8948 4.8948 7.6320 7.6320 7.6425 7.6425 8.9485 8.9485 8.9552 8.9552 9.5501 9.5501 9.5555 9.5555 22.0540 22.0540 22.0632 22.0632 23.8434 23.8434 23.8637 23.8637 k = 0.0000 0.2821 0.7721 ( 1576 PWs) bands (ev): -8.3163 -8.3163 -8.3144 -8.3144 -6.7214 -6.7214 -6.7210 -6.7210 2.0333 2.0333 2.0343 2.0343 3.9593 3.9593 3.9609 3.9609 4.8963 4.8963 4.9062 4.9062 7.6385 7.6385 7.6488 7.6488 8.9944 8.9944 9.0008 9.0008 9.5952 9.5952 9.6008 9.6008 22.0239 22.0239 22.0331 22.0331 23.7640 23.7640 23.7850 23.7850 k = 0.0000 0.2949 0.7721 ( 1572 PWs) bands (ev): -8.3023 -8.3023 -8.3003 -8.3003 -6.7369 -6.7369 -6.7366 -6.7366 2.0392 2.0392 2.0404 2.0404 3.8950 3.8950 3.8969 3.8969 4.9082 4.9082 4.9181 4.9181 7.6418 7.6418 7.6521 7.6521 9.0413 9.0413 9.0474 9.0474 9.6395 9.6395 9.6453 9.6453 21.9928 21.9928 22.0021 22.0021 23.6873 23.6873 23.7090 23.7090 k = 0.0000 0.3077 0.7721 ( 1566 PWs) bands (ev): -8.2883 -8.2883 -8.2862 -8.2862 -6.7524 -6.7524 -6.7521 -6.7521 2.0461 2.0461 2.0473 2.0473 3.8321 3.8321 3.8344 3.8344 4.9203 4.9203 4.9304 4.9304 7.6425 7.6425 7.6526 7.6526 9.0887 9.0887 9.0945 9.0945 9.6827 9.6827 9.6888 9.6888 21.9613 21.9613 21.9705 21.9705 23.6135 23.6135 23.6358 23.6358 k = 0.0000 0.3205 0.7721 ( 1562 PWs) bands (ev): -8.2744 -8.2744 -8.2723 -8.2723 -6.7678 -6.7678 -6.7674 -6.7674 2.0538 2.0538 2.0551 2.0551 3.7710 3.7710 3.7735 3.7735 4.9327 4.9327 4.9428 4.9428 7.6409 7.6409 7.6509 7.6509 9.1362 9.1362 9.1416 9.1416 9.7245 9.7245 9.7308 9.7308 21.9295 21.9295 21.9387 21.9387 23.5427 23.5427 23.5658 23.5658 k = 0.0000 0.3333 0.7721 ( 1558 PWs) bands (ev): -8.2608 -8.2608 -8.2586 -8.2586 -6.7828 -6.7828 -6.7825 -6.7825 2.0622 2.0622 2.0637 2.0637 3.7119 3.7119 3.7147 3.7147 4.9449 4.9449 4.9552 4.9552 7.6374 7.6374 7.6472 7.6472 9.1832 9.1832 9.1882 9.1882 9.7646 9.7646 9.7710 9.7710 21.8978 21.8978 21.9069 21.9069 23.4754 23.4754 23.4991 23.4991 k = 0.0000 0.3462 0.7721 ( 1558 PWs) bands (ev): -8.2475 -8.2475 -8.2452 -8.2452 -6.7975 -6.7975 -6.7972 -6.7972 2.0713 2.0713 2.0729 2.0729 3.6551 3.6551 3.6582 3.6582 4.9570 4.9570 4.9674 4.9674 7.6325 7.6325 7.6421 7.6421 9.2293 9.2293 9.2339 9.2339 9.8025 9.8025 9.8091 9.8091 21.8667 21.8667 21.8757 21.8757 23.4117 23.4117 23.4359 23.4359 k = 0.0000 0.3590 0.7721 ( 1556 PWs) bands (ev): -8.2347 -8.2347 -8.2323 -8.2323 -6.8116 -6.8116 -6.8113 -6.8113 2.0809 2.0809 2.0827 2.0827 3.6010 3.6010 3.6044 3.6044 4.9687 4.9687 4.9792 4.9792 7.6266 7.6266 7.6360 7.6360 9.2740 9.2740 9.2783 9.2783 9.8380 9.8380 9.8449 9.8449 21.8364 21.8364 21.8453 21.8453 23.3519 23.3519 23.3767 23.3767 k = 0.0000 0.3718 0.7721 ( 1556 PWs) bands (ev): -8.2225 -8.2225 -8.2200 -8.2200 -6.8251 -6.8251 -6.8249 -6.8249 2.0910 2.0910 2.0929 2.0929 3.5499 3.5499 3.5536 3.5536 4.9799 4.9799 4.9905 4.9905 7.6199 7.6199 7.6292 7.6292 9.3168 9.3168 9.3207 9.3207 9.8709 9.8709 9.8781 9.8781 21.8074 21.8074 21.8162 21.8162 23.2962 23.2962 23.3215 23.3215 k = 0.0000 0.3846 0.7721 ( 1556 PWs) bands (ev): -8.2109 -8.2109 -8.2084 -8.2084 -6.8378 -6.8378 -6.8376 -6.8376 2.1012 2.1012 2.1033 2.1033 3.5021 3.5021 3.5060 3.5060 4.9905 4.9905 5.0012 5.0012 7.6128 7.6128 7.6220 7.6220 9.3573 9.3573 9.3607 9.3607 9.9011 9.9011 9.9084 9.9084 21.7801 21.7801 21.7886 21.7886 23.2450 23.2450 23.2707 23.2707 k = 0.0000 0.3974 0.7721 ( 1556 PWs) bands (ev): -8.2002 -8.2002 -8.1975 -8.1975 -6.8496 -6.8496 -6.8494 -6.8494 2.1115 2.1115 2.1138 2.1138 3.4579 3.4579 3.4621 3.4621 5.0004 5.0004 5.0111 5.0111 7.6057 7.6057 7.6147 7.6147 9.3949 9.3949 9.3980 9.3980 9.9283 9.9283 9.9359 9.9359 21.7546 21.7546 21.7630 21.7630 23.1983 23.1983 23.2245 23.2245 k = 0.0000 0.4103 0.7721 ( 1556 PWs) bands (ev): -8.1904 -8.1904 -8.1877 -8.1877 -6.8604 -6.8604 -6.8602 -6.8602 2.1215 2.1215 2.1240 2.1240 3.4176 3.4176 3.4221 3.4221 5.0093 5.0093 5.0201 5.0201 7.5988 7.5988 7.6077 7.6077 9.4293 9.4293 9.4321 9.4321 9.9524 9.9524 9.9602 9.9602 21.7313 21.7313 21.7396 21.7396 23.1565 23.1565 23.1832 23.1832 k = 0.0000 0.4231 0.7721 ( 1556 PWs) bands (ev): -8.1816 -8.1816 -8.1788 -8.1788 -6.8700 -6.8700 -6.8699 -6.8699 2.1311 2.1311 2.1337 2.1337 3.3817 3.3817 3.3865 3.3865 5.0173 5.0173 5.0281 5.0281 7.5923 7.5923 7.6010 7.6010 9.4601 9.4601 9.4625 9.4625 9.9734 9.9734 9.9814 9.9814 21.7106 21.7106 21.7188 21.7188 23.1199 23.1199 23.1468 23.1468 k = 0.0000 0.4359 0.7721 ( 1552 PWs) bands (ev): -8.1739 -8.1739 -8.1711 -8.1711 -6.8784 -6.8784 -6.8783 -6.8783 2.1398 2.1398 2.1426 2.1426 3.3505 3.3505 3.3555 3.3555 5.0242 5.0242 5.0351 5.0351 7.5865 7.5865 7.5951 7.5951 9.4869 9.4869 9.4889 9.4889 9.9911 9.9911 9.9994 9.9994 21.6927 21.6927 21.7007 21.7007 23.0885 23.0885 23.1158 23.1158 k = 0.0000 0.4487 0.7721 ( 1548 PWs) bands (ev): -8.1675 -8.1675 -8.1647 -8.1647 -6.8854 -6.8854 -6.8853 -6.8853 2.1475 2.1475 2.1505 2.1505 3.3244 3.3244 3.3295 3.3295 5.0300 5.0300 5.0409 5.0409 7.5814 7.5814 7.5900 7.5900 9.5092 9.5092 9.5111 9.5111 10.0057 10.0057 10.0141 10.0141 21.6777 21.6777 21.6856 21.6856 23.0625 23.0625 23.0901 23.0901 k = 0.0000 0.4615 0.7721 ( 1548 PWs) bands (ev): -8.1625 -8.1625 -8.1596 -8.1596 -6.8909 -6.8909 -6.8909 -6.8909 2.1538 2.1538 2.1569 2.1569 3.3036 3.3036 3.3089 3.3089 5.0346 5.0346 5.0455 5.0455 7.5774 7.5774 7.5859 7.5859 9.5270 9.5270 9.5286 9.5286 10.0170 10.0170 10.0256 10.0256 21.6659 21.6659 21.6737 21.6737 23.0422 23.0422 23.0699 23.0699 k = 0.0000 0.4744 0.7721 ( 1544 PWs) bands (ev): -8.1588 -8.1588 -8.1559 -8.1559 -6.8949 -6.8949 -6.8949 -6.8949 2.1586 2.1586 2.1618 2.1618 3.2886 3.2886 3.2940 3.2940 5.0379 5.0379 5.0489 5.0489 7.5744 7.5744 7.5828 7.5828 9.5398 9.5398 9.5413 9.5413 10.0251 10.0251 10.0337 10.0337 21.6573 21.6573 21.6650 21.6650 23.0276 23.0276 23.0555 23.0555 k = 0.0000 0.4872 0.7721 ( 1544 PWs) bands (ev): -8.1566 -8.1566 -8.1537 -8.1537 -6.8973 -6.8973 -6.8973 -6.8973 2.1615 2.1615 2.1647 2.1647 3.2794 3.2794 3.2849 3.2849 5.0399 5.0399 5.0509 5.0509 7.5726 7.5726 7.5810 7.5810 9.5476 9.5476 9.5490 9.5490 10.0299 10.0299 10.0386 10.0386 21.6521 21.6521 21.6598 21.6598 23.0188 23.0188 23.0468 23.0468 k = 0.0000 0.5000 0.7721 ( 1536 PWs) bands (ev): -8.1558 -8.1558 -8.1529 -8.1529 -6.8981 -6.8981 -6.8981 -6.8981 2.1625 2.1625 2.1657 2.1657 3.2764 3.2764 3.2819 3.2819 5.0406 5.0406 5.0516 5.0516 7.5720 7.5720 7.5804 7.5804 9.5502 9.5502 9.5516 9.5516 10.0315 10.0315 10.0403 10.0403 21.6504 21.6504 21.6581 21.6581 23.0158 23.0158 23.0439 23.0439 k = 0.0000 0.5000 0.7721 ( 1536 PWs) bands (ev): -8.1558 -8.1558 -8.1529 -8.1529 -6.8981 -6.8981 -6.8981 -6.8981 2.1625 2.1625 2.1657 2.1657 3.2764 3.2764 3.2819 3.2819 5.0406 5.0406 5.0516 5.0516 7.5720 7.5720 7.5804 7.5804 9.5502 9.5502 9.5516 9.5516 10.0315 10.0315 10.0403 10.0403 21.6504 21.6504 21.6581 21.6581 23.0158 23.0158 23.0439 23.0439 k = 0.0128 0.5000 0.7721 ( 1548 PWs) bands (ev): -8.1557 -8.1557 -8.1527 -8.1527 -6.8980 -6.8980 -6.8980 -6.8980 2.1559 2.1559 2.1592 2.1592 3.2817 3.2817 3.2872 3.2872 5.0397 5.0397 5.0507 5.0507 7.5753 7.5753 7.5837 7.5837 9.5496 9.5496 9.5509 9.5509 10.0321 10.0321 10.0409 10.0409 21.6460 21.6460 21.6536 21.6536 23.0176 23.0176 23.0454 23.0454 k = 0.0256 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.1552 -8.1552 -8.1523 -8.1523 -6.8976 -6.8976 -6.8976 -6.8976 2.1368 2.1368 2.1402 2.1402 3.2973 3.2973 3.3027 3.3027 5.0373 5.0373 5.0483 5.0483 7.5853 7.5853 7.5937 7.5937 9.5477 9.5477 9.5491 9.5491 10.0340 10.0340 10.0428 10.0428 21.6329 21.6329 21.6402 21.6402 23.0227 23.0227 23.0501 23.0501 k = 0.0385 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.1544 -8.1544 -8.1514 -8.1514 -6.8970 -6.8970 -6.8969 -6.8969 2.1064 2.1064 2.1098 2.1098 3.3217 3.3217 3.3269 3.3269 5.0337 5.0337 5.0449 5.0449 7.6017 7.6017 7.6102 7.6102 9.5447 9.5447 9.5462 9.5462 10.0372 10.0372 10.0460 10.0460 21.6116 21.6116 21.6184 21.6184 23.0311 23.0311 23.0577 23.0577 k = 0.0513 0.5000 0.7721 ( 1556 PWs) bands (ev): -8.1532 -8.1532 -8.1503 -8.1503 -6.8960 -6.8960 -6.8960 -6.8960 2.0664 2.0664 2.0698 2.0698 3.3527 3.3527 3.3576 3.3576 5.0297 5.0297 5.0409 5.0409 7.6241 7.6241 7.6326 7.6326 9.5407 9.5407 9.5423 9.5423 10.0415 10.0415 10.0503 10.0503 21.5825 21.5825 21.5888 21.5888 23.0423 23.0423 23.0679 23.0679 k = 0.0641 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.1518 -8.1518 -8.1489 -8.1489 -6.8949 -6.8949 -6.8948 -6.8948 2.0187 2.0187 2.0222 2.0222 3.3880 3.3880 3.3926 3.3926 5.0260 5.0260 5.0374 5.0374 7.6518 7.6518 7.6604 7.6604 9.5358 9.5358 9.5375 9.5375 10.0469 10.0469 10.0557 10.0557 21.5465 21.5465 21.5522 21.5522 23.0562 23.0562 23.0806 23.0806 k = 0.0769 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.1500 -8.1500 -8.1472 -8.1472 -6.8934 -6.8934 -6.8934 -6.8934 1.9650 1.9650 1.9686 1.9686 3.4253 3.4253 3.4295 3.4295 5.0238 5.0238 5.0353 5.0353 7.6843 7.6843 7.6930 7.6930 9.5302 9.5302 9.5322 9.5322 10.0533 10.0533 10.0621 10.0621 21.5046 21.5046 21.5096 21.5096 23.0723 23.0723 23.0954 23.0954 k = 0.0897 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.1480 -8.1480 -8.1452 -8.1452 -6.8918 -6.8918 -6.8918 -6.8918 1.9069 1.9069 1.9105 1.9105 3.4624 3.4624 3.4662 3.4662 5.0242 5.0242 5.0360 5.0360 7.7207 7.7207 7.7295 7.7295 9.5242 9.5242 9.5264 9.5264 10.0607 10.0607 10.0695 10.0695 21.4574 21.4574 21.4618 21.4618 23.0903 23.0903 23.1121 23.1121 k = 0.1026 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.1456 -8.1456 -8.1428 -8.1428 -6.8899 -6.8899 -6.8899 -6.8899 1.8456 1.8456 1.8492 1.8492 3.4973 3.4973 3.5007 3.5007 5.0287 5.0287 5.0406 5.0406 7.7602 7.7602 7.7692 7.7692 9.5182 9.5182 9.5206 9.5206 10.0689 10.0689 10.0778 10.0778 21.4060 21.4060 21.4097 21.4097 23.1100 23.1100 23.1304 23.1304 k = 0.1154 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.1430 -8.1430 -8.1403 -8.1403 -6.8878 -6.8878 -6.8878 -6.8878 1.7821 1.7821 1.7858 1.7858 3.5283 3.5283 3.5313 3.5313 5.0383 5.0383 5.0505 5.0505 7.8019 7.8019 7.8111 7.8111 9.5123 9.5123 9.5150 9.5150 10.0779 10.0779 10.0868 10.0868 21.3511 21.3511 21.3543 21.3543 23.1312 23.1312 23.1503 23.1503 k = 0.1282 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.1402 -8.1402 -8.1375 -8.1375 -6.8855 -6.8855 -6.8855 -6.8855 1.7173 1.7173 1.7210 1.7210 3.5539 3.5539 3.5565 3.5565 5.0542 5.0542 5.0667 5.0667 7.8449 7.8449 7.8542 7.8542 9.5070 9.5070 9.5101 9.5101 10.0876 10.0876 10.0965 10.0965 21.2937 21.2937 21.2962 21.2962 23.1538 23.1538 23.1715 23.1715 k = 0.1410 0.5000 0.7721 ( 1576 PWs) bands (ev): -8.1371 -8.1371 -8.1344 -8.1344 -6.8830 -6.8830 -6.8830 -6.8830 1.6518 1.6518 1.6555 1.6555 3.5732 3.5732 3.5754 3.5754 5.0774 5.0774 5.0901 5.0901 7.8880 7.8880 7.8976 7.8976 9.5028 9.5028 9.5063 9.5063 10.0978 10.0978 10.1067 10.1067 21.2343 21.2343 21.2363 21.2363 23.1775 23.1775 23.1940 23.1940 k = 0.1538 0.5000 0.7721 ( 1576 PWs) bands (ev): -8.1338 -8.1338 -8.1312 -8.1312 -6.8803 -6.8803 -6.8803 -6.8803 1.5862 1.5862 1.5898 1.5898 3.5856 3.5856 3.5874 3.5874 5.1083 5.1083 5.1212 5.1212 7.9304 7.9304 7.9404 7.9404 9.5000 9.5000 9.5040 9.5040 10.1085 10.1085 10.1174 10.1174 21.1736 21.1736 21.1753 21.1753 23.2024 23.2024 23.2178 23.2178 k = 0.1667 0.5000 0.7721 ( 1572 PWs) bands (ev): -8.1303 -8.1303 -8.1277 -8.1277 -6.8775 -6.8775 -6.8775 -6.8775 1.5209 1.5209 1.5244 1.5244 3.5908 3.5908 3.5923 3.5923 5.1472 5.1472 5.1603 5.1603 7.9710 7.9710 7.9814 7.9814 9.4993 9.4993 9.5037 9.5037 10.1196 10.1196 10.1286 10.1286 21.1124 21.1124 21.1136 21.1136 23.2285 23.2285 23.2428 23.2428 k = 0.1795 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.1266 -8.1266 -8.1241 -8.1241 -6.8745 -6.8745 -6.8745 -6.8745 1.4562 1.4562 1.4597 1.4597 3.5890 3.5890 3.5903 3.5903 5.1940 5.1940 5.2072 5.2072 8.0089 8.0089 8.0196 8.0196 9.5011 9.5011 9.5060 9.5060 10.1310 10.1310 10.1400 10.1400 21.0511 21.0511 21.0520 21.0520 23.2556 23.2556 23.2689 23.2689 k = 0.1923 0.5000 0.7721 ( 1572 PWs) bands (ev): -8.1227 -8.1227 -8.1203 -8.1203 -6.8714 -6.8714 -6.8714 -6.8714 1.3925 1.3925 1.3960 1.3960 3.5808 3.5808 3.5819 3.5819 5.2480 5.2480 5.2614 5.2614 8.0430 8.0430 8.0541 8.0541 9.5058 9.5058 9.5112 9.5112 10.1426 10.1426 10.1516 10.1516 20.9901 20.9901 20.9907 20.9907 23.2838 23.2838 23.2962 23.2962 k = 0.2051 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.1187 -8.1187 -8.1164 -8.1164 -6.8683 -6.8683 -6.8682 -6.8682 1.3301 1.3301 1.3335 1.3335 3.5670 3.5670 3.5679 3.5679 5.3088 5.3088 5.3222 5.3222 8.0724 8.0724 8.0840 8.0840 9.5140 9.5140 9.5200 9.5200 10.1544 10.1544 10.1634 10.1634 20.9299 20.9299 20.9303 20.9303 23.3130 23.3130 23.3246 23.3246 k = 0.2179 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.1147 -8.1147 -8.1124 -8.1124 -6.8650 -6.8650 -6.8650 -6.8650 1.2692 1.2692 1.2725 1.2725 3.5483 3.5483 3.5490 3.5490 5.3754 5.3754 5.3889 5.3889 8.0964 8.0964 8.1084 8.1084 9.5261 9.5261 9.5326 9.5326 10.1661 10.1661 10.1752 10.1752 20.8709 20.8709 20.8711 20.8711 23.3433 23.3433 23.3541 23.3541 k = 0.2308 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.1105 -8.1105 -8.1083 -8.1083 -6.8617 -6.8617 -6.8616 -6.8616 1.2099 1.2099 1.2131 1.2131 3.5256 3.5256 3.5263 3.5263 5.4472 5.4472 5.4607 5.4607 8.1144 8.1144 8.1267 8.1267 9.5423 9.5423 9.5492 9.5492 10.1779 10.1779 10.1870 10.1870 20.8134 20.8134 20.8135 20.8135 23.3745 23.3745 23.3845 23.3845 k = 0.2436 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.1063 -8.1063 -8.1041 -8.1041 -6.8583 -6.8583 -6.8583 -6.8583 1.1525 1.1525 1.1556 1.1556 3.4999 3.4999 3.5005 3.5005 5.5233 5.5233 5.5369 5.5369 8.1258 8.1258 8.1385 8.1385 9.5627 9.5627 9.5701 9.5701 10.1895 10.1895 10.1986 10.1986 20.7577 20.7577 20.7579 20.7579 23.4066 23.4066 23.4160 23.4160 k = 0.2564 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.1021 -8.1021 -8.1000 -8.1000 -6.8549 -6.8549 -6.8549 -6.8549 1.0971 1.0971 1.1001 1.1001 3.4719 3.4719 3.4724 3.4724 5.6030 5.6030 5.6166 5.6166 8.1304 8.1304 8.1434 8.1434 9.5872 9.5872 9.5949 9.5949 10.2008 10.2008 10.2100 10.2100 20.7040 20.7040 20.7043 20.7043 23.4395 23.4395 23.4482 23.4482 k = 0.2692 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.0978 -8.0978 -8.0958 -8.0958 -6.8516 -6.8516 -6.8515 -6.8515 1.0438 1.0438 1.0467 1.0467 3.4422 3.4422 3.4427 3.4427 5.6857 5.6857 5.6992 5.6992 8.1282 8.1282 8.1414 8.1414 9.6156 9.6156 9.6236 9.6236 10.2119 10.2119 10.2211 10.2211 20.6527 20.6527 20.6531 20.6531 23.4731 23.4731 23.4813 23.4813 k = 0.2821 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.0936 -8.0936 -8.0917 -8.0917 -6.8482 -6.8482 -6.8482 -6.8482 0.9928 0.9928 0.9956 0.9956 3.4117 3.4117 3.4121 3.4121 5.7707 5.7707 5.7842 5.7842 8.1192 8.1192 8.1326 8.1326 9.6473 9.6473 9.6556 9.6556 10.2225 10.2225 10.2317 10.2317 20.6039 20.6039 20.6044 20.6044 23.5073 23.5073 23.5149 23.5149 k = 0.2949 0.5000 0.7721 ( 1556 PWs) bands (ev): -8.0894 -8.0894 -8.0876 -8.0876 -6.8449 -6.8449 -6.8449 -6.8449 0.9442 0.9442 0.9468 0.9468 3.3807 3.3807 3.3811 3.3811 5.8575 5.8575 5.8710 5.8710 8.1037 8.1037 8.1173 8.1173 9.6820 9.6820 9.6905 9.6905 10.2325 10.2325 10.2418 10.2418 20.5578 20.5578 20.5584 20.5584 23.5420 23.5420 23.5489 23.5489 k = 0.3077 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.0854 -8.0854 -8.0836 -8.0836 -6.8417 -6.8417 -6.8417 -6.8417 0.8980 0.8980 0.9005 0.9005 3.3498 3.3498 3.3502 3.3502 5.9456 5.9456 5.9591 5.9591 8.0821 8.0821 8.0957 8.0957 9.7191 9.7191 9.7277 9.7277 10.2419 10.2419 10.2512 10.2512 20.5146 20.5146 20.5152 20.5152 23.5768 23.5768 23.5832 23.5832 k = 0.3205 0.5000 0.7721 ( 1556 PWs) bands (ev): -8.0814 -8.0814 -8.0798 -8.0798 -6.8386 -6.8386 -6.8386 -6.8386 0.8545 0.8545 0.8568 0.8568 3.3195 3.3195 3.3198 3.3198 6.0348 6.0348 6.0483 6.0483 8.0546 8.0546 8.0682 8.0682 9.7577 9.7577 9.7665 9.7665 10.2505 10.2505 10.2598 10.2598 20.4742 20.4742 20.4748 20.4748 23.6115 23.6115 23.6174 23.6174 k = 0.3333 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.0775 -8.0775 -8.0760 -8.0760 -6.8356 -6.8356 -6.8356 -6.8356 0.8136 0.8136 0.8158 0.8158 3.2900 3.2900 3.2903 3.2903 6.1246 6.1246 6.1380 6.1380 8.0217 8.0217 8.0354 8.0354 9.7974 9.7974 9.8063 9.8063 10.2583 10.2583 10.2676 10.2676 20.4369 20.4369 20.4375 20.4375 23.6459 23.6459 23.6513 23.6513 k = 0.3462 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.0739 -8.0739 -8.0725 -8.0725 -6.8327 -6.8327 -6.8327 -6.8327 0.7754 0.7754 0.7774 0.7774 3.2616 3.2616 3.2619 3.2619 6.2146 6.2146 6.2281 6.2281 7.9838 7.9838 7.9975 7.9975 9.8376 9.8376 9.8465 9.8465 10.2650 10.2650 10.2743 10.2743 20.4025 20.4025 20.4031 20.4031 23.6796 23.6796 23.6844 23.6844 k = 0.3590 0.5000 0.7721 ( 1548 PWs) bands (ev): -8.0704 -8.0704 -8.0691 -8.0691 -6.8300 -6.8300 -6.8299 -6.8299 0.7400 0.7400 0.7419 0.7419 3.2347 3.2347 3.2350 3.2350 6.3047 6.3047 6.3182 6.3182 7.9414 7.9414 7.9551 7.9551 9.8776 9.8776 9.8865 9.8865 10.2706 10.2706 10.2799 10.2799 20.3712 20.3712 20.3718 20.3718 23.7121 23.7121 23.7164 23.7164 k = 0.3718 0.5000 0.7721 ( 1548 PWs) bands (ev): -8.0671 -8.0671 -8.0659 -8.0659 -6.8274 -6.8274 -6.8274 -6.8274 0.7076 0.7076 0.7093 0.7093 3.2095 3.2095 3.2098 3.2098 6.3946 6.3946 6.4080 6.4080 7.8947 7.8947 7.9083 7.9083 9.9169 9.9169 9.9259 9.9259 10.2749 10.2749 10.2842 10.2842 20.3429 20.3429 20.3435 20.3435 23.7429 23.7429 23.7466 23.7466 k = 0.3846 0.5000 0.7721 ( 1548 PWs) bands (ev): -8.0641 -8.0641 -8.0630 -8.0630 -6.8251 -6.8251 -6.8250 -6.8250 0.6780 0.6780 0.6796 0.6796 3.1862 3.1862 3.1864 3.1864 6.4840 6.4840 6.4974 6.4974 7.8441 7.8441 7.8577 7.8577 9.9552 9.9552 9.9641 9.9641 10.2779 10.2779 10.2871 10.2871 20.3177 20.3177 20.3182 20.3182 23.7714 23.7714 23.7745 23.7745 k = 0.3974 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.0613 -8.0613 -8.0603 -8.0603 -6.8229 -6.8229 -6.8229 -6.8229 0.6514 0.6514 0.6528 0.6528 3.1649 3.1649 3.1651 3.1651 6.5727 6.5727 6.5861 6.5861 7.7899 7.7899 7.8035 7.8035 9.9920 9.9920 10.0009 10.0009 10.2793 10.2793 10.2885 10.2885 20.2953 20.2953 20.2958 20.2958 23.7966 23.7966 23.7991 23.7991 k = 0.4103 0.5000 0.7721 ( 1552 PWs) bands (ev): -8.0588 -8.0588 -8.0579 -8.0579 -6.8210 -6.8210 -6.8209 -6.8209 0.6279 0.6279 0.6291 0.6291 3.1458 3.1458 3.1459 3.1459 6.6605 6.6605 6.6739 6.6739 7.7324 7.7324 7.7459 7.7459 10.0269 10.0269 10.0358 10.0358 10.2792 10.2792 10.2883 10.2883 20.2759 20.2759 20.2764 20.2764 23.8177 23.8177 23.8194 23.8194 k = 0.4231 0.5000 0.7721 ( 1556 PWs) bands (ev): -8.0565 -8.0565 -8.0558 -8.0558 -6.8192 -6.8192 -6.8192 -6.8192 0.6074 0.6074 0.6085 0.6085 3.1290 3.1290 3.1291 3.1291 6.7473 6.7473 6.7606 6.7606 7.6719 7.6719 7.6854 7.6854 10.0597 10.0597 10.0686 10.0686 10.2773 10.2773 10.2863 10.2863 20.2592 20.2592 20.2597 20.2597 23.8334 23.8334 23.8343 23.8343 k = 0.4359 0.5000 0.7721 ( 1556 PWs) bands (ev): -8.0546 -8.0546 -8.0540 -8.0540 -6.8178 -6.8178 -6.8177 -6.8177 0.5901 0.5901 0.5909 0.5909 3.1146 3.1146 3.1147 3.1147 6.8326 6.8326 6.8459 6.8459 7.6086 7.6086 7.6220 7.6220 10.0902 10.0902 10.0989 10.0989 10.2737 10.2737 10.2826 10.2826 20.2454 20.2454 20.2457 20.2457 23.8426 23.8426 23.8429 23.8429 k = 0.4487 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.0530 -8.0530 -8.0525 -8.0525 -6.8166 -6.8166 -6.8165 -6.8165 0.5758 0.5758 0.5765 0.5765 3.1027 3.1027 3.1028 3.1028 6.9163 6.9163 6.9296 6.9296 7.5430 7.5430 7.5563 7.5563 10.1180 10.1180 10.1265 10.1265 10.2684 10.2684 10.2770 10.2770 20.2341 20.2341 20.2344 20.2344 23.8451 23.8451 23.8453 23.8453 k = 0.4615 0.5000 0.7721 ( 1560 PWs) bands (ev): -8.0517 -8.0517 -8.0514 -8.0514 -6.8156 -6.8156 -6.8156 -6.8156 0.5647 0.5647 0.5653 0.5653 3.0934 3.0934 3.0935 3.0935 6.9979 6.9979 7.0110 7.0110 7.4756 7.4756 7.4887 7.4887 10.1427 10.1427 10.1508 10.1508 10.2616 10.2616 10.2698 10.2698 20.2255 20.2255 20.2257 20.2257 23.8426 23.8426 23.8431 23.8431 k = 0.4744 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.0508 -8.0508 -8.0506 -8.0506 -6.8149 -6.8149 -6.8149 -6.8149 0.5569 0.5569 0.5572 0.5572 3.0868 3.0868 3.0868 3.0868 7.0763 7.0763 7.0889 7.0889 7.4076 7.4076 7.4202 7.4202 10.1639 10.1639 10.1710 10.1710 10.2540 10.2540 10.2612 10.2612 20.2194 20.2194 20.2195 20.2195 23.8382 23.8382 23.8386 23.8386 k = 0.4872 0.5000 0.7721 ( 1564 PWs) bands (ev): -8.0502 -8.0502 -8.0501 -8.0501 -6.8145 -6.8145 -6.8145 -6.8145 0.5521 0.5521 0.5523 0.5523 3.0828 3.0828 3.0828 3.0828 7.1480 7.1480 7.1586 7.1586 7.3438 7.3438 7.3545 7.3545 10.1802 10.1802 10.1850 10.1850 10.2477 10.2477 10.2525 10.2525 20.2158 20.2158 20.2159 20.2159 23.8344 23.8344 23.8347 23.8347 k = 0.5000 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.0500 -8.0500 -8.0500 -8.0500 -6.8144 -6.8144 -6.8144 -6.8144 0.5506 0.5506 0.5506 0.5506 3.0814 3.0814 3.0814 3.0814 7.1917 7.1917 7.1918 7.1918 7.3127 7.3127 7.3127 7.3127 10.1885 10.1885 10.1885 10.1885 10.2467 10.2467 10.2467 10.2467 20.2146 20.2146 20.2146 20.2146 23.8331 23.8331 23.8331 23.8331 k = 0.5000 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.0500 -8.0500 -8.0500 -8.0500 -6.8144 -6.8144 -6.8144 -6.8144 0.5506 0.5506 0.5506 0.5506 3.0814 3.0814 3.0814 3.0814 7.1917 7.1917 7.1918 7.1918 7.3127 7.3127 7.3127 7.3127 10.1885 10.1885 10.1885 10.1885 10.2467 10.2467 10.2467 10.2467 20.2146 20.2146 20.2146 20.2146 23.8331 23.8331 23.8331 23.8331 k = 0.4909 0.4909 0.7721 ( 1564 PWs) bands (ev): -8.0504 -8.0504 -8.0499 -8.0499 -6.8149 -6.8149 -6.8141 -6.8141 0.5511 0.5511 0.5534 0.5534 3.0823 3.0823 3.0832 3.0832 7.1252 7.1252 7.1923 7.1923 7.3107 7.3107 7.3767 7.3767 10.1781 10.1781 10.1877 10.1877 10.2444 10.2444 10.2552 10.2552 20.2155 20.2155 20.2161 20.2161 23.8345 23.8345 23.8348 23.8348 k = 0.4818 0.4818 0.7721 ( 1566 PWs) bands (ev): -8.0516 -8.0516 -8.0498 -8.0498 -6.8164 -6.8164 -6.8134 -6.8134 0.5526 0.5526 0.5615 0.5615 3.0850 3.0850 3.0887 3.0887 7.0193 7.0193 7.1917 7.1917 7.3072 7.3072 7.4748 7.4748 10.1566 10.1566 10.1828 10.1828 10.2396 10.2396 10.2710 10.2710 20.2183 20.2183 20.2206 20.2206 23.8387 23.8387 23.8397 23.8397 k = 0.4727 0.4727 0.7721 ( 1558 PWs) bands (ev): -8.0535 -8.0535 -8.0496 -8.0496 -6.8189 -6.8189 -6.8123 -6.8123 0.5552 0.5552 0.5750 0.5750 3.0894 3.0894 3.0978 3.0978 6.9064 6.9064 7.1907 7.1907 7.3013 7.3013 7.5746 7.5746 10.1303 10.1303 10.1746 10.1746 10.2317 10.2317 10.2878 10.2878 20.2231 20.2231 20.2283 20.2283 23.8457 23.8457 23.8479 23.8479 k = 0.4636 0.4636 0.7721 ( 1558 PWs) bands (ev): -8.0563 -8.0563 -8.0494 -8.0494 -6.8223 -6.8223 -6.8106 -6.8106 0.5587 0.5587 0.5939 0.5939 3.0955 3.0955 3.1104 3.1104 6.7902 6.7902 7.1893 7.1893 7.2930 7.2930 7.6725 7.6725 10.1013 10.1013 10.1632 10.1632 10.2206 10.2206 10.3036 10.3036 20.2298 20.2298 20.2390 20.2390 23.8552 23.8552 23.8594 23.8594 k = 0.4545 0.4545 0.7721 ( 1558 PWs) bands (ev): -8.0598 -8.0598 -8.0492 -8.0492 -6.8266 -6.8266 -6.8085 -6.8085 0.5634 0.5634 0.6181 0.6181 3.1035 3.1035 3.1265 3.1265 6.6717 6.6717 7.1875 7.1875 7.2823 7.2823 7.7674 7.7674 10.0704 10.0704 10.1487 10.1487 10.2064 10.2064 10.3175 10.3175 20.2385 20.2385 20.2528 20.2528 23.8672 23.8672 23.8740 23.8740 k = 0.4455 0.4455 0.7721 ( 1554 PWs) bands (ev): -8.0640 -8.0640 -8.0491 -8.0491 -6.8317 -6.8317 -6.8060 -6.8060 0.5691 0.5691 0.6475 0.6475 3.1131 3.1131 3.1461 3.1461 6.5515 6.5515 7.1853 7.1853 7.2693 7.2693 7.8588 7.8588 10.0379 10.0379 10.1312 10.1312 10.1892 10.1892 10.3293 10.3293 20.2493 20.2493 20.2700 20.2700 23.8813 23.8813 23.8920 23.8920 k = 0.4364 0.4364 0.7721 ( 1554 PWs) bands (ev): -8.0690 -8.0690 -8.0490 -8.0490 -6.8373 -6.8373 -6.8030 -6.8030 0.5759 0.5759 0.6820 0.6820 3.1245 3.1245 3.1690 3.1690 6.4298 6.4298 7.1827 7.1827 7.2539 7.2539 7.9465 7.9465 10.0041 10.0041 10.1107 10.1107 10.1691 10.1691 10.3386 10.3386 20.2621 20.2621 20.2905 20.2905 23.8971 23.8971 23.9130 23.9130 k = 0.4273 0.4273 0.7721 ( 1554 PWs) bands (ev): -8.0746 -8.0746 -8.0491 -8.0491 -6.8436 -6.8436 -6.7995 -6.7995 0.5839 0.5839 0.7216 0.7216 3.1377 3.1377 3.1951 3.1951 6.3070 6.3070 7.1798 7.1798 7.2360 7.2360 8.0301 8.0301 9.9691 9.9691 10.0875 10.0875 10.1461 10.1461 10.3454 10.3454 20.2772 20.2772 20.3145 20.3145 23.9143 23.9143 23.9372 23.9372 k = 0.4182 0.4182 0.7721 ( 1546 PWs) bands (ev): -8.0810 -8.0810 -8.0495 -8.0495 -6.8501 -6.8501 -6.7957 -6.7957 0.5931 0.5931 0.7661 0.7661 3.1525 3.1525 3.2243 3.2243 6.1832 6.1832 7.1765 7.1765 7.2158 7.2158 8.1094 8.1094 9.9331 9.9331 10.0618 10.0618 10.1204 10.1204 10.3496 10.3496 20.2945 20.2945 20.3422 20.3422 23.9303 23.9303 23.9486 23.9486 k = 0.4091 0.4091 0.7721 ( 1542 PWs) bands (ev): -8.0880 -8.0880 -8.0501 -8.0501 -6.8569 -6.8569 -6.7914 -6.7914 0.6036 0.6036 0.8153 0.8153 3.1690 3.1690 3.2566 3.2566 6.0588 6.0588 7.1728 7.1728 7.1933 7.1933 8.1842 8.1842 9.8962 9.8962 10.0335 10.0335 10.0920 10.0920 10.3510 10.3510 20.3142 20.3142 20.3735 20.3735 23.9264 23.9264 23.9558 23.9558 k = 0.4000 0.4000 0.7721 ( 1538 PWs) bands (ev): -8.0957 -8.0957 -8.0512 -8.0512 -6.8638 -6.8638 -6.7867 -6.7867 0.6153 0.6153 0.8692 0.8692 3.1872 3.1872 3.2916 3.2916 5.9339 5.9339 7.1666 7.1666 7.1706 7.1706 8.2543 8.2543 9.8585 9.8585 10.0031 10.0031 10.0610 10.0610 10.3496 10.3496 20.3362 20.3362 20.4087 20.4087 23.9120 23.9120 23.9745 23.9745 k = 0.3909 0.3909 0.7721 ( 1542 PWs) bands (ev): -8.1040 -8.1040 -8.0527 -8.0527 -6.8706 -6.8706 -6.7816 -6.7816 0.6284 0.6284 0.9275 0.9275 3.2071 3.2071 3.3294 3.3294 5.8087 5.8087 7.1404 7.1404 7.1651 7.1651 8.3194 8.3194 9.8202 9.8202 9.9705 9.9705 10.0276 10.0276 10.3454 10.3454 20.3607 20.3607 20.4478 20.4478 23.8982 23.8982 23.9937 23.9937 k = 0.3818 0.3818 0.7721 ( 1542 PWs) bands (ev): -8.1129 -8.1129 -8.0548 -8.0548 -6.8770 -6.8770 -6.7762 -6.7762 0.6429 0.6429 0.9902 0.9902 3.2285 3.2285 3.3697 3.3697 5.6835 5.6835 7.1106 7.1106 7.1606 7.1606 8.3795 8.3795 9.7813 9.7813 9.9362 9.9362 9.9920 9.9920 10.3382 10.3382 20.3877 20.3877 20.4910 20.4910 23.8860 23.8860 24.0123 24.0123 k = 0.3727 0.3727 0.7721 ( 1550 PWs) bands (ev): -8.1223 -8.1223 -8.0576 -8.0576 -6.8830 -6.8830 -6.7704 -6.7704 0.6588 0.6588 1.0570 1.0570 3.2516 3.2516 3.4123 3.4123 5.5585 5.5585 7.0783 7.0783 7.1558 7.1558 8.4344 8.4344 9.7419 9.7419 9.9002 9.9002 9.9541 9.9541 10.3280 10.3280 20.4172 20.4172 20.5383 20.5383 23.8760 23.8760 24.0296 24.0296 k = 0.3636 0.3636 0.7721 ( 1550 PWs) bands (ev): -8.1322 -8.1322 -8.0611 -8.0611 -6.8884 -6.8884 -6.7642 -6.7642 0.6761 0.6761 1.1277 1.1277 3.2762 3.2762 3.4572 3.4572 5.4338 5.4338 7.0436 7.0436 7.1509 7.1509 8.4839 8.4839 9.7023 9.7023 9.8629 9.8629 9.9143 9.9143 10.3150 10.3150 20.4493 20.4493 20.5899 20.5899 23.8685 23.8685 24.0451 24.0451 k = 0.3545 0.3545 0.7721 ( 1554 PWs) bands (ev): -8.1426 -8.1426 -8.0654 -8.0654 -6.8929 -6.8929 -6.7578 -6.7578 0.6950 0.6950 1.2022 1.2022 3.3024 3.3024 3.5040 3.5040 5.3098 5.3098 7.0065 7.0065 7.1458 7.1458 8.5280 8.5280 9.6623 9.6623 9.8245 9.8245 9.8726 9.8726 10.2989 10.2989 20.4839 20.4839 20.6458 20.6458 23.8638 23.8638 24.0581 24.0581 k = 0.3455 0.3455 0.7721 ( 1558 PWs) bands (ev): -8.1534 -8.1534 -8.0706 -8.0706 -6.8965 -6.8965 -6.7510 -6.7510 0.7154 0.7154 1.2802 1.2802 3.3301 3.3301 3.5527 3.5527 5.1866 5.1866 6.9669 6.9669 7.1405 7.1405 8.5666 8.5666 9.6222 9.6222 9.7852 9.7852 9.8292 9.8292 10.2800 10.2800 20.5211 20.5211 20.7060 20.7060 23.8624 23.8624 24.0681 24.0681 k = 0.3364 0.3364 0.7721 ( 1558 PWs) bands (ev): -8.1647 -8.1647 -8.0768 -8.0768 -6.8990 -6.8990 -6.7439 -6.7439 0.7373 0.7373 1.3615 1.3615 3.3592 3.3592 3.6030 3.6030 5.0645 5.0645 6.9249 6.9249 7.1350 7.1350 8.5996 8.5996 9.5819 9.5819 9.7454 9.7454 9.7843 9.7843 10.2581 10.2581 20.5609 20.5609 20.7706 20.7706 23.8644 23.8644 24.0746 24.0746 k = 0.3273 0.3273 0.7721 ( 1556 PWs) bands (ev): -8.1763 -8.1763 -8.0840 -8.0840 -6.9003 -6.9003 -6.7366 -6.7366 0.7608 0.7608 1.4459 1.4459 3.3898 3.3898 3.6547 3.6547 4.9437 4.9437 6.8805 6.8805 7.1294 7.1294 8.6268 8.6268 9.5416 9.5416 9.7052 9.7052 9.7380 9.7380 10.2335 10.2335 20.6032 20.6032 20.8395 20.8395 23.8701 23.8701 24.0771 24.0771 k = 0.3182 0.3182 0.7721 ( 1556 PWs) bands (ev): -8.1882 -8.1882 -8.0921 -8.0921 -6.9003 -6.9003 -6.7290 -6.7290 0.7859 0.7859 1.5330 1.5330 3.4217 3.4217 3.7077 3.7077 4.8245 4.8245 6.8338 6.8338 7.1238 7.1238 8.6484 8.6484 9.5013 9.5013 9.6648 9.6648 9.6905 9.6905 10.2061 10.2061 20.6479 20.6479 20.9127 20.9127 23.8796 23.8796 24.0752 24.0752 k = 0.3091 0.3091 0.7721 ( 1560 PWs) bands (ev): -8.2004 -8.2004 -8.1014 -8.1014 -6.8988 -6.8988 -6.7212 -6.7212 0.8126 0.8126 1.6227 1.6227 3.4550 3.4550 3.7616 3.7616 4.7072 4.7072 6.7847 6.7847 7.1180 7.1180 8.6642 8.6642 9.4611 9.4611 9.6246 9.6246 9.6421 9.6421 10.1760 10.1760 20.6951 20.6951 20.9901 20.9901 23.8931 23.8931 24.0686 24.0686 k = 0.3000 0.3000 0.7721 ( 1560 PWs) bands (ev): -8.2128 -8.2128 -8.1116 -8.1116 -6.8960 -6.8960 -6.7132 -6.7132 0.8408 0.8408 1.7145 1.7145 3.4895 3.4895 3.8164 3.8164 4.5920 4.5920 6.7335 6.7335 7.1122 7.1122 8.6743 8.6743 9.4211 9.4211 9.5844 9.5844 9.5930 9.5930 10.1434 10.1434 20.7445 20.7445 21.0715 21.0715 23.9106 23.9106 24.0572 24.0572 k = 0.2909 0.2909 0.7721 ( 1564 PWs) bands (ev): -8.2254 -8.2254 -8.1228 -8.1228 -6.8917 -6.8917 -6.7051 -6.7051 0.8707 0.8707 1.8081 1.8081 3.5253 3.5253 3.8718 3.8718 4.4795 4.4795 6.6800 6.6800 7.1064 7.1064 8.6786 8.6786 9.3812 9.3812 9.5410 9.5410 9.5470 9.5470 10.1084 10.1084 20.7962 20.7962 21.1569 21.1569 23.9323 23.9323 24.0410 24.0410 k = 0.2818 0.2818 0.7721 ( 1564 PWs) bands (ev): -8.2382 -8.2382 -8.1350 -8.1350 -6.8859 -6.8859 -6.6967 -6.6967 0.9022 0.9022 1.9030 1.9030 3.5622 3.5622 3.9275 3.9275 4.3699 4.3699 6.6244 6.6244 7.1006 7.1006 8.6773 8.6773 9.3416 9.3416 9.4911 9.4911 9.5078 9.5078 10.0712 10.0712 20.8499 20.8499 21.2460 21.2460 23.9581 23.9581 24.0200 24.0200 k = 0.2727 0.2727 0.7721 ( 1568 PWs) bands (ev): -8.2510 -8.2510 -8.1481 -8.1481 -6.8787 -6.8787 -6.6883 -6.6883 0.9352 0.9352 1.9987 1.9987 3.6002 3.6002 3.9834 3.9834 4.2639 4.2639 6.5667 6.5667 7.0949 7.0949 8.6704 8.6704 9.3022 9.3022 9.4400 9.4400 9.4703 9.4703 10.0318 10.0318 20.9056 20.9056 21.3384 21.3384 23.9862 23.9862 23.9965 23.9965 k = 0.2636 0.2636 0.7721 ( 1568 PWs) bands (ev): -8.2639 -8.2639 -8.1620 -8.1620 -6.8700 -6.8700 -6.6798 -6.6798 0.9698 0.9698 2.0944 2.0944 3.6392 3.6392 4.0392 4.0392 4.1622 4.1622 6.5072 6.5072 7.0892 7.0892 8.6579 8.6579 9.2631 9.2631 9.3887 9.3887 9.4341 9.4341 9.9905 9.9905 20.9631 20.9631 21.4339 21.4339 23.9645 23.9645 24.0231 24.0231 k = 0.2545 0.2545 0.7721 ( 1570 PWs) bands (ev): -8.2769 -8.2769 -8.1766 -8.1766 -6.8601 -6.8601 -6.6712 -6.6712 1.0059 1.0059 2.1893 2.1893 3.6792 3.6792 4.0655 4.0655 4.0948 4.0948 6.4460 6.4460 7.0836 7.0836 8.6400 8.6400 9.2244 9.2244 9.3373 9.3373 9.3993 9.3993 9.9475 9.9475 21.0223 21.0223 21.5319 21.5319 23.9319 23.9319 24.0615 24.0615 k = 0.2455 0.2455 0.7721 ( 1570 PWs) bands (ev): -8.2898 -8.2898 -8.1919 -8.1919 -6.8489 -6.8489 -6.6626 -6.6626 1.0434 1.0434 2.2822 2.2822 3.7200 3.7200 3.9752 3.9752 4.1498 4.1498 6.3832 6.3832 7.0781 7.0781 8.6168 8.6168 9.1860 9.1860 9.2860 9.2860 9.3659 9.3659 9.9030 9.9030 21.0829 21.0829 21.6321 21.6321 23.8968 23.8968 24.1040 24.1040 k = 0.2364 0.2364 0.7721 ( 1570 PWs) bands (ev): -8.3027 -8.3027 -8.2077 -8.2077 -6.8365 -6.8365 -6.6540 -6.6540 1.0823 1.0823 2.3714 2.3714 3.7615 3.7615 3.8928 3.8928 4.2040 4.2040 6.3190 6.3190 7.0728 7.0728 8.5883 8.5883 9.1479 9.1479 9.2349 9.2349 9.3342 9.3342 9.8572 9.8572 21.1448 21.1448 21.7336 21.7336 23.8601 23.8601 24.1507 24.1507 k = 0.2273 0.2273 0.7721 ( 1574 PWs) bands (ev): -8.3154 -8.3154 -8.2239 -8.2239 -6.8231 -6.8231 -6.6454 -6.6454 1.1226 1.1226 2.4547 2.4547 3.8035 3.8035 3.8206 3.8206 4.2572 4.2572 6.2536 6.2536 7.0676 7.0676 8.5547 8.5547 9.1102 9.1102 9.1843 9.1843 9.3041 9.3041 9.8105 9.8105 21.2077 21.2077 21.8356 21.8356 23.8233 23.8233 24.2013 24.2013 k = 0.2182 0.2182 0.7721 ( 1576 PWs) bands (ev): -8.3280 -8.3280 -8.2404 -8.2404 -6.8088 -6.8088 -6.6368 -6.6368 1.1641 1.1641 2.5293 2.5293 3.7610 3.7610 3.8465 3.8465 4.3091 4.3091 6.1872 6.1872 7.0626 7.0626 8.5162 8.5162 9.0728 9.0728 9.1342 9.1342 9.2759 9.2759 9.7630 9.7630 21.2714 21.2714 21.9371 21.9371 23.7878 23.7878 24.2557 24.2557 k = 0.2091 0.2091 0.7721 ( 1576 PWs) bands (ev): -8.3404 -8.3404 -8.2571 -8.2571 -6.7936 -6.7936 -6.6283 -6.6283 1.2068 1.2068 2.5913 2.5913 3.7183 3.7183 3.8897 3.8897 4.3595 4.3595 6.1202 6.1202 7.0578 7.0578 8.4730 8.4730 9.0357 9.0357 9.0848 9.0848 9.2495 9.2495 9.7150 9.7150 21.3358 21.3358 22.0366 22.0366 23.7553 23.7553 24.3139 24.3139 k = 0.2000 0.2000 0.7721 ( 1576 PWs) bands (ev): -8.3526 -8.3526 -8.2740 -8.2740 -6.7778 -6.7778 -6.6199 -6.6199 1.2505 1.2505 2.6369 2.6369 3.6961 3.6961 3.9331 3.9331 4.4081 4.4081 6.0529 6.0529 7.0533 7.0533 8.4251 8.4251 8.9989 8.9989 9.0362 9.0362 9.2250 9.2250 9.6668 9.6668 21.4005 21.4005 22.1325 22.1325 23.7281 23.7281 24.3756 24.3756 k = 0.1909 0.1909 0.7721 ( 1572 PWs) bands (ev): -8.3645 -8.3645 -8.2908 -8.2908 -6.7614 -6.7614 -6.6117 -6.6117 1.2953 1.2953 2.6630 2.6630 3.6975 3.6975 3.9768 3.9768 4.4546 4.4546 5.9856 5.9856 7.0490 7.0490 8.3729 8.3729 8.9624 8.9624 8.9888 8.9888 9.2023 9.2023 9.6188 9.6188 21.4653 21.4653 22.2227 22.2227 23.7086 23.7086 24.4408 24.4408 k = 0.1818 0.1818 0.7721 ( 1568 PWs) bands (ev): -8.3761 -8.3761 -8.3074 -8.3074 -6.7446 -6.7446 -6.6036 -6.6036 1.3408 1.3408 2.6686 2.6686 3.7234 3.7234 4.0205 4.0205 4.4987 4.4987 5.9187 5.9187 7.0449 7.0449 8.3165 8.3165 8.9259 8.9259 8.9426 8.9426 9.1816 9.1816 9.5712 9.5712 21.5299 21.5299 22.3046 22.3046 23.6995 23.6995 24.5093 24.5093 k = 0.1727 0.1727 0.7721 ( 1572 PWs) bands (ev): -8.3874 -8.3874 -8.3239 -8.3239 -6.7275 -6.7275 -6.5957 -6.5957 1.3871 1.3871 2.6556 2.6556 3.7717 3.7717 4.0640 4.0640 4.5400 4.5400 5.8527 5.8527 7.0410 7.0410 8.2560 8.2560 8.8891 8.8891 8.8984 8.8984 9.1627 9.1627 9.5244 9.5244 21.5939 21.5939 22.3756 22.3756 23.7039 23.7039 24.5808 24.5808 k = 0.1636 0.1636 0.7721 ( 1568 PWs) bands (ev): -8.3984 -8.3984 -8.3401 -8.3401 -6.7102 -6.7102 -6.5880 -6.5880 1.4338 1.4338 2.6280 2.6280 3.8385 3.8385 4.1073 4.1073 4.5781 4.5781 5.7881 5.7881 7.0375 7.0375 8.1919 8.1919 8.8500 8.8500 8.8582 8.8582 9.1457 9.1457 9.4786 9.4786 21.6573 21.6573 22.4333 22.4333 23.7244 23.7244 24.6554 24.6554 k = 0.1545 0.1545 0.7721 ( 1572 PWs) bands (ev): -8.4089 -8.4089 -8.3558 -8.3558 -6.6930 -6.6930 -6.5806 -6.5806 1.4809 1.4809 2.5901 2.5901 3.9193 3.9193 4.1500 4.1500 4.6127 4.6127 5.7255 5.7255 7.0342 7.0342 8.1242 8.1242 8.8090 8.8090 8.8217 8.8217 9.1304 9.1304 9.4342 9.4342 21.7194 21.7194 22.4762 22.4762 23.7628 23.7628 24.7326 24.7326 k = 0.1455 0.1455 0.7721 ( 1568 PWs) bands (ev): -8.4190 -8.4190 -8.3711 -8.3711 -6.6759 -6.6759 -6.5734 -6.5734 1.5281 1.5281 2.5456 2.5456 4.0103 4.0103 4.1921 4.1921 4.6433 4.6433 5.6656 5.6656 7.0312 7.0312 8.0534 8.0534 8.7687 8.7687 8.7865 8.7865 9.1169 9.1169 9.3914 9.3914 21.7801 21.7801 22.5039 22.5039 23.8193 23.8193 24.8124 24.8124 k = 0.1364 0.1364 0.7721 ( 1572 PWs) bands (ev): -8.4286 -8.4286 -8.3858 -8.3858 -6.6590 -6.6590 -6.5665 -6.5665 1.5752 1.5752 2.4975 2.4975 4.1084 4.1084 4.2334 4.2334 4.6693 4.6693 5.6090 5.6090 7.0284 7.0284 7.9797 7.9797 8.7299 8.7299 8.7519 8.7519 9.1049 9.1049 9.3506 9.3506 21.8390 21.8390 22.5177 22.5177 23.8930 23.8930 24.8945 24.8945 k = 0.1273 0.1273 0.7721 ( 1574 PWs) bands (ev): -8.4377 -8.4377 -8.3999 -8.3999 -6.6426 -6.6426 -6.5599 -6.5599 1.6220 1.6220 2.4479 2.4479 4.2112 4.2112 4.2736 4.2736 4.6903 4.6903 5.5567 5.5567 7.0259 7.0259 7.9033 7.9033 8.6930 8.6930 8.7180 8.7180 9.0945 9.0945 9.3118 9.3118 21.8958 21.8958 22.5197 22.5197 23.9817 23.9817 24.9788 24.9788 k = 0.1182 0.1182 0.7721 ( 1574 PWs) bands (ev): -8.4463 -8.4463 -8.4133 -8.4133 -6.6266 -6.6266 -6.5537 -6.5537 1.6681 1.6681 2.3983 2.3983 4.3111 4.3111 4.3183 4.3183 4.7057 4.7057 5.5093 5.5093 7.0237 7.0237 7.8249 7.8249 8.6579 8.6579 8.6847 8.6847 9.0854 9.0854 9.2754 9.2754 21.9502 21.9502 22.5127 22.5127 24.0827 24.0827 25.0651 25.0651 k = 0.1091 0.1091 0.7721 ( 1574 PWs) bands (ev): -8.4544 -8.4544 -8.4259 -8.4259 -6.6113 -6.6113 -6.5479 -6.5479 1.7132 1.7132 2.3499 2.3499 4.3496 4.3496 4.4244 4.4244 4.7150 4.7150 5.4677 5.4677 7.0217 7.0217 7.7448 7.7448 8.6250 8.6250 8.6524 8.6524 9.0777 9.0777 9.2415 9.2415 22.0019 22.0019 22.4991 22.4991 24.1934 24.1934 25.1531 25.1531 k = 0.1000 0.1000 0.7721 ( 1578 PWs) bands (ev): -8.4620 -8.4620 -8.4377 -8.4377 -6.5967 -6.5967 -6.5424 -6.5424 1.7571 1.7571 2.3035 2.3035 4.3853 4.3853 4.5319 4.5319 4.7183 4.7183 5.4324 5.4324 7.0200 7.0200 7.6636 7.6636 8.5943 8.5943 8.6210 8.6210 9.0712 9.0712 9.2103 9.2103 22.0505 22.0505 22.4811 22.4811 24.3114 24.3114 25.2426 25.2426 k = 0.0909 0.0909 0.7721 ( 1578 PWs) bands (ev): -8.4689 -8.4689 -8.4487 -8.4487 -6.5830 -6.5830 -6.5373 -6.5373 1.7993 1.7993 2.2598 2.2598 4.4189 4.4189 4.6386 4.6386 4.7155 4.7155 5.4036 5.4036 7.0185 7.0185 7.5818 7.5818 8.5658 8.5658 8.5911 8.5911 9.0658 9.0658 9.1817 9.1817 22.0957 22.0957 22.4607 22.4607 24.4346 24.4346 25.3336 25.3336 k = 0.0818 0.0818 0.7721 ( 1582 PWs) bands (ev): -8.4752 -8.4752 -8.4587 -8.4587 -6.5703 -6.5703 -6.5327 -6.5327 1.8394 1.8394 2.2191 2.2191 4.4502 4.4502 4.7071 4.7071 4.7435 4.7435 5.3811 5.3811 7.0172 7.0172 7.5003 7.5003 8.5398 8.5398 8.5626 8.5626 9.0613 9.0613 9.1559 9.1559 22.1374 22.1374 22.4392 22.4392 24.5612 24.5612 25.4256 25.4256 k = 0.0727 0.0727 0.7721 ( 1586 PWs) bands (ev): -8.4810 -8.4810 -8.4678 -8.4678 -6.5586 -6.5586 -6.5285 -6.5285 1.8770 1.8770 2.1820 2.1820 4.4790 4.4790 4.6946 4.6946 4.8449 4.8449 5.3645 5.3645 7.0161 7.0161 7.4199 7.4199 8.5162 8.5162 8.5361 8.5361 9.0577 9.0577 9.1329 9.1329 22.1752 22.1752 22.4178 22.4178 24.6896 24.6896 25.5193 25.5245 k = 0.0636 0.0636 0.7721 ( 1586 PWs) bands (ev): -8.4860 -8.4860 -8.4759 -8.4759 -6.5481 -6.5481 -6.5248 -6.5248 1.9116 1.9116 2.1486 2.1486 4.5052 4.5052 4.6789 4.6789 4.9420 4.9420 5.3528 5.3528 7.0152 7.0152 7.3418 7.3418 8.4952 8.4952 8.5118 8.5118 9.0548 9.0548 9.1127 9.1127 22.2090 22.2090 22.3974 22.3974 24.8183 24.8183 25.5140 25.5141 k = 0.0545 0.0545 0.7721 ( 1582 PWs) bands (ev): -8.4905 -8.4905 -8.4829 -8.4829 -6.5388 -6.5388 -6.5215 -6.5215 1.9429 1.9429 2.1193 2.1193 4.5283 4.5283 4.6617 4.6617 5.0331 5.0331 5.3450 5.3450 7.0144 7.0144 7.2675 7.2675 8.4769 8.4769 8.4900 8.4900 9.0525 9.0525 9.0953 9.0953 22.2386 22.2386 22.3786 22.3786 24.9456 24.9456 25.5026 25.5026 k = 0.0455 0.0455 0.7721 ( 1582 PWs) bands (ev): -8.4943 -8.4943 -8.4890 -8.4890 -6.5308 -6.5308 -6.5187 -6.5187 1.9703 1.9703 2.0942 2.0942 4.5483 4.5483 4.6443 4.6443 5.1163 5.1163 5.3401 5.3401 7.0138 7.0138 7.1985 7.1985 8.4612 8.4612 8.4710 8.4710 9.0508 9.0508 9.0806 9.0806 22.2638 22.2638 22.3620 22.3620 25.0695 25.0695 25.4930 25.4930 k = 0.0364 0.0364 0.7721 ( 1578 PWs) bands (ev): -8.4974 -8.4974 -8.4939 -8.4939 -6.5242 -6.5242 -6.5164 -6.5164 1.9934 1.9934 2.0735 2.0735 4.5650 4.5650 4.6282 4.6282 5.1896 5.1896 5.3374 5.3374 7.0134 7.0134 7.1370 7.1370 8.4484 8.4484 8.4550 8.4550 9.0495 9.0495 9.0686 9.0686 22.2846 22.2846 22.3479 22.3479 25.1874 25.1874 25.4852 25.4852 k = 0.0273 0.0273 0.7721 ( 1578 PWs) bands (ev): -8.4998 -8.4998 -8.4978 -8.4978 -6.5190 -6.5190 -6.5146 -6.5146 2.0118 2.0118 2.0572 2.0572 4.5781 4.5781 4.6145 4.6145 5.2505 5.2505 5.3359 5.3359 7.0130 7.0130 7.0853 7.0853 8.4383 8.4383 8.4423 8.4423 9.0485 9.0485 9.0593 9.0593 22.3009 22.3009 22.3367 22.3367 25.2950 25.2950 25.4794 25.4794 k = 0.0182 0.0182 0.7721 ( 1582 PWs) bands (ev): -8.5015 -8.5015 -8.5006 -8.5006 -6.5153 -6.5153 -6.5133 -6.5133 2.0253 2.0253 2.0456 2.0456 4.5876 4.5876 4.6040 4.6040 5.2965 5.2965 5.3353 5.3353 7.0128 7.0128 7.0459 7.0459 8.4311 8.4311 8.4331 8.4331 9.0479 9.0479 9.0527 9.0527 22.3125 22.3125 22.3285 22.3285 25.3856 25.3856 25.4753 25.4753 k = 0.0091 0.0091 0.7721 ( 1586 PWs) bands (ev): -8.5026 -8.5026 -8.5023 -8.5023 -6.5130 -6.5130 -6.5125 -6.5125 2.0334 2.0334 2.0386 2.0386 4.5933 4.5933 4.5975 4.5975 5.3252 5.3252 5.3350 5.3350 7.0126 7.0126 7.0211 7.0211 8.4268 8.4268 8.4275 8.4275 9.0475 9.0475 9.0488 9.0488 22.3195 22.3195 22.3235 22.3235 25.4488 25.4488 25.4729 25.4729 k = 0.0000 0.0000 0.7721 ( 1586 PWs) bands (ev): -8.5029 -8.5029 -8.5029 -8.5029 -6.5123 -6.5123 -6.5123 -6.5123 2.0362 2.0362 2.0362 2.0362 4.5953 4.5953 4.5953 4.5953 5.3350 5.3350 5.3350 5.3350 7.0126 7.0126 7.0126 7.0126 8.4255 8.4255 8.4255 8.4255 9.0474 9.0474 9.0475 9.0475 22.3218 22.3218 22.3218 22.3218 25.4720 25.4720 25.4721 25.4721 k = 0.0000 0.5000-0.0000 ( 1588 PWs) bands (ev): -10.0791 -10.0791 -10.0791 -10.0791 -6.7745 -6.7745 -6.7745 -6.7745 2.0826 2.0826 2.0826 2.0826 7.1098 7.1098 7.1098 7.1098 7.1729 7.1729 7.1730 7.1730 7.6877 7.6877 7.6877 7.6877 9.1219 9.1219 9.1219 9.1219 10.8811 10.8811 10.8811 10.8811 20.6915 20.6915 20.6915 20.6915 21.6580 21.6580 21.6580 21.6580 k = 0.0000 0.5000 0.0129 ( 1580 PWs) bands (ev): -10.0782 -10.0782 -10.0782 -10.0782 -6.7743 -6.7743 -6.7742 -6.7742 2.0833 2.0833 2.0834 2.0834 7.0530 7.0530 7.0604 7.0604 7.2176 7.2176 7.2228 7.2228 7.6886 7.6886 7.6906 7.6906 9.1200 9.1200 9.1202 9.1202 10.8804 10.8804 10.8805 10.8805 20.6956 20.6956 20.6958 20.6958 21.6620 21.6620 21.6621 21.6621 k = 0.0000 0.5000 0.0257 ( 1588 PWs) bands (ev): -10.0756 -10.0756 -10.0756 -10.0756 -6.7736 -6.7736 -6.7734 -6.7734 2.0857 2.0857 2.0860 2.0860 6.9719 6.9719 6.9804 6.9804 7.2805 7.2805 7.2846 7.2846 7.6936 7.6936 7.6978 7.6978 9.1143 9.1143 9.1147 9.1147 10.8785 10.8785 10.8787 10.8787 20.7080 20.7080 20.7084 20.7084 21.6742 21.6742 21.6743 21.6743 k = 0.0000 0.5000 0.0386 ( 1592 PWs) bands (ev): -10.0712 -10.0712 -10.0712 -10.0712 -6.7724 -6.7724 -6.7721 -6.7721 2.0897 2.0897 2.0901 2.0901 6.8848 6.8848 6.8939 6.8939 7.3371 7.3371 7.3393 7.3393 7.7037 7.7037 7.7101 7.7101 9.1052 9.1052 9.1058 9.1058 10.8755 10.8755 10.8757 10.8757 20.7287 20.7287 20.7292 20.7292 21.6944 21.6944 21.6945 21.6945 k = 0.0000 0.5000 0.0515 ( 1592 PWs) bands (ev): -10.0651 -10.0651 -10.0651 -10.0651 -6.7707 -6.7707 -6.7703 -6.7703 2.0954 2.0954 2.0959 2.0959 6.7932 6.7932 6.8027 6.8027 7.3838 7.3838 7.3838 7.3838 7.7202 7.7202 7.7290 7.7290 9.0928 9.0928 9.0935 9.0935 10.8712 10.8712 10.8716 10.8716 20.7573 20.7573 20.7581 20.7581 21.7226 21.7226 21.7227 21.7227 k = 0.0000 0.5000 0.0643 ( 1592 PWs) bands (ev): -10.0572 -10.0572 -10.0572 -10.0572 -6.7685 -6.7685 -6.7680 -6.7680 2.1027 2.1027 2.1033 2.1033 6.6979 6.6979 6.7078 6.7078 7.4167 7.4167 7.4188 7.4188 7.7441 7.7441 7.7552 7.7552 9.0772 9.0772 9.0782 9.0782 10.8657 10.8657 10.8662 10.8662 20.7939 20.7939 20.7948 20.7948 21.7587 21.7587 21.7588 21.7588 k = 0.0000 0.5000 0.0772 ( 1592 PWs) bands (ev): -10.0477 -10.0477 -10.0476 -10.0476 -6.7658 -6.7658 -6.7653 -6.7653 2.1115 2.1115 2.1123 2.1123 6.5993 6.5993 6.6093 6.6093 7.4378 7.4378 7.4416 7.4416 7.7757 7.7757 7.7884 7.7884 9.0589 9.0589 9.0601 9.0601 10.8591 10.8591 10.8596 10.8596 20.8380 20.8380 20.8390 20.8390 21.8025 21.8025 21.8027 21.8027 k = 0.0000 0.5000 0.0901 ( 1596 PWs) bands (ev): -10.0363 -10.0363 -10.0363 -10.0363 -6.7627 -6.7627 -6.7621 -6.7621 2.1220 2.1220 2.1229 2.1229 6.4976 6.4976 6.5078 6.5078 7.4482 7.4482 7.4531 7.4531 7.8132 7.8132 7.8270 7.8270 9.0383 9.0383 9.0397 9.0397 10.8513 10.8513 10.8519 10.8519 20.8892 20.8892 20.8905 20.8905 21.8538 21.8538 21.8540 21.8540 k = 0.0000 0.5000 0.1029 ( 1594 PWs) bands (ev): -10.0233 -10.0233 -10.0232 -10.0232 -6.7591 -6.7591 -6.7584 -6.7584 2.1341 2.1341 2.1350 2.1350 6.3931 6.3931 6.4035 6.4035 7.4499 7.4499 7.4553 7.4553 7.8547 7.8547 7.8689 7.8689 9.0158 9.0158 9.0174 9.0174 10.8422 10.8422 10.8429 10.8429 20.9472 20.9472 20.9486 20.9486 21.9125 21.9125 21.9127 21.9127 k = 0.0000 0.5000 0.1158 ( 1594 PWs) bands (ev): -10.0086 -10.0086 -10.0085 -10.0085 -6.7551 -6.7551 -6.7544 -6.7544 2.1477 2.1477 2.1488 2.1488 6.2862 6.2862 6.2966 6.2966 7.4442 7.4442 7.4500 7.4500 7.8979 7.8979 7.9122 7.9122 8.9919 8.9919 8.9938 8.9938 10.8321 10.8321 10.8329 10.8329 21.0115 21.0115 21.0130 21.0130 21.9783 21.9783 21.9786 21.9786 k = 0.0000 0.5000 0.1287 ( 1594 PWs) bands (ev): -9.9921 -9.9921 -9.9920 -9.9920 -6.7508 -6.7508 -6.7499 -6.7499 2.1629 2.1629 2.1641 2.1641 6.1769 6.1769 6.1873 6.1873 7.4323 7.4323 7.4382 7.4382 7.9413 7.9413 7.9555 7.9555 8.9673 8.9673 8.9695 8.9695 10.8208 10.8208 10.8217 10.8217 21.0814 21.0814 21.0831 21.0831 22.0510 22.0510 22.0514 22.0514 k = 0.0000 0.5000 0.1415 ( 1598 PWs) bands (ev): -9.9740 -9.9740 -9.9739 -9.9739 -6.7461 -6.7461 -6.7451 -6.7451 2.1795 2.1795 2.1809 2.1809 6.0656 6.0656 6.0760 6.0760 7.4149 7.4149 7.4208 7.4208 7.9838 7.9838 7.9976 7.9976 8.9425 8.9425 8.9450 8.9450 10.8083 10.8083 10.8093 10.8093 21.1563 21.1563 21.1581 21.1581 22.1303 22.1303 22.1308 22.1308 k = 0.0000 0.5000 0.1544 ( 1600 PWs) bands (ev): -9.9543 -9.9543 -9.9541 -9.9541 -6.7410 -6.7410 -6.7400 -6.7400 2.1977 2.1977 2.1992 2.1992 5.9525 5.9525 5.9629 5.9629 7.3923 7.3923 7.3982 7.3982 8.0246 8.0246 8.0381 8.0381 8.9182 8.9182 8.9210 8.9210 10.7948 10.7948 10.7959 10.7959 21.2354 21.2354 21.2375 21.2375 22.2161 22.2161 22.2167 22.2167 k = 0.0000 0.5000 0.1673 ( 1600 PWs) bands (ev): -9.9328 -9.9328 -9.9327 -9.9327 -6.7357 -6.7357 -6.7346 -6.7346 2.2174 2.2174 2.2189 2.2189 5.8377 5.8377 5.8481 5.8481 7.3647 7.3647 7.3706 7.3706 8.0631 8.0631 8.0762 8.0762 8.8951 8.8951 8.8981 8.8981 10.7802 10.7802 10.7814 10.7814 21.3181 21.3181 21.3203 21.3203 22.3080 22.3080 22.3088 22.3088 k = 0.0000 0.5000 0.1801 ( 1592 PWs) bands (ev): -9.9098 -9.9098 -9.9096 -9.9096 -6.7301 -6.7301 -6.7289 -6.7289 2.2385 2.2385 2.2401 2.2401 5.7216 5.7216 5.7319 5.7319 7.3322 7.3322 7.3380 7.3380 8.0992 8.0992 8.1118 8.1118 8.8736 8.8736 8.8770 8.8770 10.7647 10.7647 10.7659 10.7659 21.4035 21.4035 21.4058 21.4058 22.4059 22.4059 22.4069 22.4069 k = 0.0000 0.5000 0.1930 ( 1584 PWs) bands (ev): -9.8851 -9.8851 -9.8850 -9.8850 -6.7242 -6.7242 -6.7230 -6.7230 2.2610 2.2610 2.2628 2.2628 5.6044 5.6044 5.6146 5.6146 7.2946 7.2946 7.3004 7.3004 8.1324 8.1324 8.1445 8.1445 8.8545 8.8545 8.8582 8.8582 10.7481 10.7481 10.7494 10.7494 21.4906 21.4906 21.4930 21.4930 22.5094 22.5094 22.5106 22.5106 k = 0.0000 0.5000 0.2059 ( 1584 PWs) bands (ev): -9.8589 -9.8589 -9.8587 -9.8587 -6.7182 -6.7182 -6.7169 -6.7169 2.2848 2.2848 2.2867 2.2867 5.4862 5.4862 5.4963 5.4963 7.2522 7.2522 7.2579 7.2579 8.1626 8.1626 8.1741 8.1741 8.8380 8.8380 8.8421 8.8421 10.7306 10.7306 10.7320 10.7320 21.5784 21.5784 21.5810 21.5810 22.6181 22.6181 22.6196 22.6196 k = 0.0000 0.5000 0.2187 ( 1592 PWs) bands (ev): -9.8311 -9.8311 -9.8309 -9.8309 -6.7121 -6.7121 -6.7107 -6.7107 2.3100 2.3100 2.3120 2.3120 5.3674 5.3674 5.3774 5.3774 7.2048 7.2048 7.2106 7.2106 8.1895 8.1895 8.2005 8.2005 8.8247 8.8247 8.8292 8.8292 10.7122 10.7122 10.7137 10.7137 21.6659 21.6659 21.6687 21.6687 22.7318 22.7318 22.7336 22.7336 k = 0.0000 0.5000 0.2316 ( 1592 PWs) bands (ev): -9.8018 -9.8018 -9.8016 -9.8016 -6.7059 -6.7059 -6.7045 -6.7045 2.3365 2.3365 2.3386 2.3386 5.2481 5.2481 5.2579 5.2579 7.1527 7.1527 7.1585 7.1585 8.2133 8.2133 8.2236 8.2236 8.8149 8.8149 8.8197 8.8197 10.6930 10.6930 10.6946 10.6946 21.7521 21.7521 21.7551 21.7551 22.8500 22.8500 22.8522 22.8522 k = 0.0000 0.5000 0.2445 ( 1590 PWs) bands (ev): -9.7710 -9.7710 -9.7707 -9.7707 -6.6997 -6.6997 -6.6982 -6.6982 2.3641 2.3641 2.3664 2.3664 5.1286 5.1286 5.1383 5.1383 7.0961 7.0961 7.1018 7.1018 8.2336 8.2336 8.2434 8.2434 8.8087 8.8087 8.8139 8.8139 10.6731 10.6731 10.6748 10.6748 21.8361 21.8361 21.8392 21.8392 22.9721 22.9721 22.9747 22.9747 k = 0.0000 0.5000 0.2574 ( 1586 PWs) bands (ev): -9.7387 -9.7387 -9.7384 -9.7384 -6.6935 -6.6935 -6.6919 -6.6919 2.3930 2.3930 2.3954 2.3954 5.0090 5.0090 5.0186 5.0186 7.0352 7.0352 7.0409 7.0409 8.2507 8.2507 8.2599 8.2599 8.8062 8.8062 8.8118 8.8118 10.6525 10.6525 10.6543 10.6543 21.9167 21.9167 21.9200 21.9200 23.0970 23.0970 23.1002 23.1002 k = 0.0000 0.5000 0.2702 ( 1574 PWs) bands (ev): -9.7049 -9.7049 -9.7047 -9.7047 -6.6874 -6.6874 -6.6858 -6.6858 2.4230 2.4230 2.4255 2.4255 4.8898 4.8898 4.8992 4.8992 6.9703 6.9703 6.9760 6.9760 8.2645 8.2645 8.2731 8.2731 8.8074 8.8074 8.8132 8.8132 10.6314 10.6314 10.6333 10.6333 21.9931 21.9931 21.9966 21.9966 23.2230 23.2230 23.2269 23.2269 k = 0.0000 0.5000 0.2831 ( 1574 PWs) bands (ev): -9.6698 -9.6698 -9.6695 -9.6695 -6.6814 -6.6814 -6.6797 -6.6797 2.4540 2.4540 2.4567 2.4567 4.7709 4.7709 4.7802 4.7802 6.9018 6.9018 6.9074 6.9074 8.2751 8.2751 8.2832 8.2832 8.8119 8.8119 8.8180 8.8180 10.6097 10.6097 10.6117 10.6117 22.0644 22.0644 22.0681 22.0681 23.3470 23.3470 23.3515 23.3515 k = 0.0000 0.5000 0.2960 ( 1570 PWs) bands (ev): -9.6333 -9.6333 -9.6330 -9.6330 -6.6756 -6.6756 -6.6739 -6.6739 2.4860 2.4860 2.4888 2.4888 4.6527 4.6527 4.6619 4.6619 6.8301 6.8301 6.8357 6.8357 8.2827 8.2827 8.2903 8.2903 8.8196 8.8196 8.8259 8.8259 10.5876 10.5876 10.5897 10.5897 22.1298 22.1298 22.1339 22.1339 23.4616 23.4616 23.4659 23.4659 k = 0.0000 0.5000 0.3088 ( 1570 PWs) bands (ev): -9.5955 -9.5955 -9.5951 -9.5951 -6.6702 -6.6702 -6.6684 -6.6684 2.5189 2.5189 2.5218 2.5218 4.5354 4.5354 4.5444 4.5444 6.7556 6.7556 6.7612 6.7612 8.2874 8.2874 8.2946 8.2946 8.8301 8.8301 8.8366 8.8366 10.5652 10.5652 10.5675 10.5675 22.1887 22.1887 22.1931 22.1931 23.5498 23.5498 23.5511 23.5511 k = 0.0000 0.5000 0.3217 ( 1570 PWs) bands (ev): -9.5564 -9.5564 -9.5560 -9.5560 -6.6650 -6.6650 -6.6632 -6.6632 2.5526 2.5526 2.5556 2.5556 4.4192 4.4192 4.4281 4.4281 6.6787 6.6787 6.6843 6.6843 8.2894 8.2894 8.2962 8.2962 8.8432 8.8432 8.8498 8.8498 10.5426 10.5426 10.5449 10.5449 22.2406 22.2406 22.2454 22.2454 23.5833 23.5833 23.5887 23.5887 k = 0.0000 0.5000 0.3346 ( 1566 PWs) bands (ev): -9.5161 -9.5161 -9.5156 -9.5156 -6.6602 -6.6602 -6.6584 -6.6584 2.5871 2.5871 2.5902 2.5902 4.3043 4.3043 4.3130 4.3130 6.5999 6.5999 6.6056 6.6056 8.2888 8.2888 8.2953 8.2953 8.8584 8.8584 8.8650 8.8650 10.5198 10.5198 10.5223 10.5223 22.2852 22.2852 22.2904 22.2904 23.5701 23.5701 23.5813 23.5813 k = 0.0000 0.5000 0.3474 ( 1566 PWs) bands (ev): -9.4745 -9.4745 -9.4741 -9.4741 -6.6559 -6.6559 -6.6541 -6.6541 2.6221 2.6221 2.6254 2.6254 4.1909 4.1909 4.1994 4.1994 6.5197 6.5197 6.5253 6.5253 8.2858 8.2858 8.2921 8.2921 8.8755 8.8755 8.8821 8.8821 10.4970 10.4970 10.4997 10.4997 22.3220 22.3220 22.3277 22.3277 23.5351 23.5351 23.5496 23.5496 k = 0.0000 0.5000 0.3603 ( 1574 PWs) bands (ev): -9.4319 -9.4319 -9.4314 -9.4314 -6.6522 -6.6522 -6.6503 -6.6503 2.6577 2.6577 2.6611 2.6611 4.0792 4.0792 4.0875 4.0875 6.4384 6.4384 6.4441 6.4441 8.2804 8.2804 8.2865 8.2865 8.8942 8.8942 8.9007 8.9007 10.4743 10.4743 10.4770 10.4770 22.3510 22.3510 22.3572 22.3572 23.4913 23.4913 23.5077 23.5077 k = 0.0000 0.5000 0.3732 ( 1574 PWs) bands (ev): -9.3882 -9.3882 -9.3876 -9.3876 -6.6490 -6.6490 -6.6471 -6.6471 2.6937 2.6937 2.6972 2.6972 3.9694 3.9694 3.9775 3.9775 6.3564 6.3564 6.3622 6.3622 8.2728 8.2728 8.2787 8.2787 8.9143 8.9143 8.9207 8.9207 10.4518 10.4518 10.4546 10.4546 22.3721 22.3721 22.3789 22.3789 23.4446 23.4446 23.4624 23.4624 k = 0.0000 0.5000 0.3860 ( 1574 PWs) bands (ev): -9.3435 -9.3435 -9.3429 -9.3429 -6.6465 -6.6465 -6.6446 -6.6446 2.7299 2.7299 2.7336 2.7336 3.8616 3.8616 3.8696 3.8696 6.2743 6.2743 6.2801 6.2801 8.2629 8.2629 8.2687 8.2687 8.9356 8.9356 8.9419 8.9419 10.4295 10.4295 10.4325 10.4325 22.3852 22.3852 22.3926 22.3926 23.3978 23.3978 23.4166 23.4166 k = 0.0000 0.5000 0.3989 ( 1574 PWs) bands (ev): -9.2978 -9.2978 -9.2972 -9.2972 -6.6448 -6.6448 -6.6429 -6.6429 2.7663 2.7663 2.7701 2.7701 3.7562 3.7562 3.7639 3.7639 6.1924 6.1924 6.1982 6.1982 8.2508 8.2508 8.2565 8.2565 8.9579 8.9579 8.9640 8.9640 10.4075 10.4075 10.4107 10.4107 22.3905 22.3905 22.3985 22.3985 23.3528 23.3528 23.3725 23.3725 k = 0.0000 0.5000 0.4118 ( 1582 PWs) bands (ev): -9.2512 -9.2512 -9.2506 -9.2506 -6.6438 -6.6438 -6.6419 -6.6419 2.8027 2.8027 2.8065 2.8065 3.6531 3.6531 3.6607 3.6607 6.1110 6.1110 6.1169 6.1169 8.2365 8.2365 8.2422 8.2422 8.9811 8.9811 8.9870 8.9870 10.3859 10.3859 10.3892 10.3892 22.3883 22.3883 22.3967 22.3967 23.3106 23.3106 23.3310 23.3310 k = 0.0000 0.5000 0.4246 ( 1582 PWs) bands (ev): -9.2039 -9.2039 -9.2032 -9.2032 -6.6438 -6.6438 -6.6418 -6.6418 2.8388 2.8388 2.8428 2.8428 3.5527 3.5527 3.5601 3.5601 6.0306 6.0306 6.0366 6.0366 8.2201 8.2201 8.2258 8.2258 9.0050 9.0050 9.0107 9.0107 10.3649 10.3649 10.3683 10.3683 22.3789 22.3789 22.3878 22.3878 23.2719 23.2719 23.2930 23.2930 k = 0.0000 0.5000 0.4375 ( 1582 PWs) bands (ev): -9.1558 -9.1558 -9.1550 -9.1550 -6.6446 -6.6446 -6.6427 -6.6427 2.8746 2.8746 2.8787 2.8787 3.4552 3.4552 3.4623 3.4623 5.9516 5.9516 5.9577 5.9577 8.2016 8.2016 8.2073 8.2073 9.0296 9.0296 9.0350 9.0350 10.3443 10.3443 10.3479 10.3479 22.3629 22.3629 22.3722 22.3722 23.2371 23.2371 23.2587 23.2587 k = 0.0000 0.5000 0.4504 ( 1582 PWs) bands (ev): -9.1071 -9.1071 -9.1063 -9.1063 -6.6464 -6.6464 -6.6445 -6.6445 2.9097 2.9097 2.9139 2.9139 3.3606 3.3606 3.3676 3.3676 5.8742 5.8742 5.8805 5.8805 8.1811 8.1811 8.1868 8.1868 9.0547 9.0547 9.0599 9.0599 10.3244 10.3244 10.3281 10.3281 22.3410 22.3410 22.3504 22.3504 23.2063 23.2063 23.2284 23.2284 k = 0.0000 0.5000 0.4632 ( 1582 PWs) bands (ev): -9.0579 -9.0579 -9.0570 -9.0570 -6.6492 -6.6492 -6.6473 -6.6473 2.9438 2.9438 2.9482 2.9482 3.2694 3.2694 3.2761 3.2761 5.7989 5.7989 5.8054 5.8054 8.1587 8.1587 8.1644 8.1644 9.0802 9.0802 9.0852 9.0852 10.3050 10.3050 10.3089 10.3089 22.3138 22.3138 22.3235 22.3235 23.1793 23.1793 23.2018 23.2018 k = 0.0000 0.5000 0.4761 ( 1582 PWs) bands (ev): -9.0082 -9.0082 -9.0072 -9.0072 -6.6531 -6.6531 -6.6513 -6.6513 2.9762 2.9762 2.9807 2.9807 3.1822 3.1822 3.1886 3.1886 5.7261 5.7261 5.7326 5.7326 8.1343 8.1343 8.1401 8.1401 9.1061 9.1061 9.1109 9.1109 10.2863 10.2863 10.2903 10.2903 22.2824 22.2824 22.2921 22.2921 23.1559 23.1559 23.1787 23.1787 k = 0.0000 0.5000 0.4890 ( 1576 PWs) bands (ev): -8.9581 -8.9581 -8.9571 -8.9571 -6.6581 -6.6581 -6.6563 -6.6563 3.0038 3.0038 3.0088 3.0088 3.1019 3.1019 3.1079 3.1079 5.6559 5.6559 5.6627 5.6627 8.1083 8.1083 8.1141 8.1141 9.1323 9.1323 9.1368 9.1368 10.2682 10.2682 10.2724 10.2724 22.2476 22.2476 22.2573 22.2573 23.1357 23.1357 23.1587 23.1587 k = 0.0000 0.5000 0.5018 ( 1576 PWs) bands (ev): -8.9079 -8.9079 -8.9068 -8.9068 -6.6642 -6.6642 -6.6624 -6.6624 2.9942 2.9942 3.0004 3.0004 3.0611 3.0611 3.0656 3.0656 5.5888 5.5888 5.5958 5.5958 8.0807 8.0807 8.0866 8.0866 9.1587 9.1587 9.1629 9.1629 10.2508 10.2508 10.2551 10.2551 22.2102 22.2102 22.2198 22.2198 23.1183 23.1183 23.1414 23.1414 k = 0.0000 0.5000 0.5147 ( 1576 PWs) bands (ev): -8.8575 -8.8575 -8.8564 -8.8564 -6.6714 -6.6714 -6.6697 -6.6697 2.9264 2.9264 2.9326 2.9326 3.0803 3.0803 3.0848 3.0848 5.5251 5.5251 5.5322 5.5322 8.0516 8.0516 8.0576 8.0576 9.1851 9.1851 9.1890 9.1890 10.2339 10.2339 10.2385 10.2385 22.1711 22.1711 22.1805 22.1805 23.1032 23.1032 23.1265 23.1265 k = 0.0000 0.5000 0.5276 ( 1568 PWs) bands (ev): -8.8072 -8.8072 -8.8060 -8.8060 -6.6798 -6.6798 -6.6781 -6.6781 2.8537 2.8537 2.8596 2.8596 3.1064 3.1064 3.1110 3.1110 5.4651 5.4651 5.4724 5.4724 8.0213 8.0213 8.0275 8.0275 9.2115 9.2115 9.2152 9.2152 10.2178 10.2178 10.2225 10.2225 22.1308 22.1308 22.1401 22.1401 23.0902 23.0902 23.1137 23.1137 k = 0.0000 0.5000 0.5404 ( 1568 PWs) bands (ev): -8.7571 -8.7571 -8.7558 -8.7558 -6.6893 -6.6893 -6.6877 -6.6877 2.7833 2.7833 2.7890 2.7890 3.1319 3.1319 3.1367 3.1367 5.4089 5.4089 5.4164 5.4164 7.9900 7.9900 7.9963 7.9963 9.2378 9.2378 9.2412 9.2412 10.2022 10.2022 10.2071 10.2071 22.0902 22.0902 22.0992 22.0992 23.0789 23.0789 23.1026 23.1026 k = 0.0000 0.5000 0.5533 ( 1560 PWs) bands (ev): -8.7073 -8.7073 -8.7059 -8.7059 -6.6998 -6.6998 -6.6983 -6.6983 2.7162 2.7162 2.7217 2.7217 3.1557 3.1557 3.1606 3.1606 5.3568 5.3568 5.3646 5.3646 7.9580 7.9580 7.9643 7.9643 9.2640 9.2640 9.2670 9.2670 10.1872 10.1872 10.1923 10.1923 22.0496 22.0496 22.0585 22.0585 23.0691 23.0691 23.0930 23.0930 k = 0.0000 0.5000 0.5662 ( 1558 PWs) bands (ev): -8.6580 -8.6580 -8.6565 -8.6565 -6.7114 -6.7114 -6.7100 -6.7100 2.6528 2.6528 2.6580 2.6580 3.1775 3.1775 3.1825 3.1825 5.3091 5.3091 5.3171 5.3171 7.9254 7.9254 7.9319 7.9319 9.2898 9.2898 9.2926 9.2926 10.1727 10.1727 10.1780 10.1780 22.0096 22.0096 22.0183 22.0183 23.0606 23.0606 23.0848 23.0848 k = 0.0000 0.5000 0.5790 ( 1558 PWs) bands (ev): -8.6094 -8.6094 -8.6079 -8.6079 -6.7240 -6.7240 -6.7226 -6.7226 2.5931 2.5931 2.5981 2.5981 3.1971 3.1971 3.2021 3.2021 5.2657 5.2657 5.2740 5.2740 7.8925 7.8925 7.8991 7.8991 9.3152 9.3152 9.3177 9.3177 10.1588 10.1588 10.1643 10.1643 21.9705 21.9705 21.9791 21.9791 23.0532 23.0532 23.0776 23.0776 k = 0.0000 0.5000 0.5919 ( 1556 PWs) bands (ev): -8.5618 -8.5618 -8.5601 -8.5601 -6.7374 -6.7374 -6.7361 -6.7361 2.5372 2.5372 2.5420 2.5420 3.2143 3.2143 3.2194 3.2194 5.2268 5.2268 5.2353 5.2353 7.8596 7.8596 7.8664 7.8664 9.3401 9.3401 9.3423 9.3423 10.1453 10.1453 10.1511 10.1511 21.9327 21.9327 21.9412 21.9412 23.0467 23.0467 23.0715 23.0715 k = 0.0000 0.5000 0.6048 ( 1554 PWs) bands (ev): -8.5153 -8.5153 -8.5135 -8.5135 -6.7515 -6.7515 -6.7504 -6.7504 2.4852 2.4852 2.4898 2.4898 3.2291 3.2291 3.2342 3.2342 5.1924 5.1924 5.2012 5.2012 7.8271 7.8271 7.8341 7.8341 9.3644 9.3644 9.3663 9.3663 10.1324 10.1324 10.1384 10.1384 21.8966 21.8966 21.9049 21.9049 23.0412 23.0412 23.0662 23.0662 k = 0.0000 0.5000 0.6176 ( 1554 PWs) bands (ev): -8.4702 -8.4702 -8.4683 -8.4683 -6.7663 -6.7663 -6.7653 -6.7653 2.4370 2.4370 2.4415 2.4415 3.2415 3.2415 3.2467 3.2467 5.1623 5.1623 5.1714 5.1714 7.7952 7.7952 7.8023 7.8023 9.3879 9.3879 9.3895 9.3895 10.1200 10.1200 10.1262 10.1262 21.8623 21.8623 21.8705 21.8705 23.0364 23.0364 23.0617 23.0617 k = 0.0000 0.5000 0.6305 ( 1554 PWs) bands (ev): -8.4267 -8.4267 -8.4247 -8.4247 -6.7815 -6.7815 -6.7806 -6.7806 2.3929 2.3929 2.3972 2.3972 3.2517 3.2517 3.2569 3.2569 5.1365 5.1365 5.1458 5.1458 7.7643 7.7643 7.7715 7.7715 9.4105 9.4105 9.4117 9.4117 10.1080 10.1080 10.1146 10.1146 21.8300 21.8300 21.8381 21.8381 23.0323 23.0323 23.0579 23.0579 k = 0.0000 0.5000 0.6434 ( 1554 PWs) bands (ev): -8.3852 -8.3852 -8.3831 -8.3831 -6.7969 -6.7969 -6.7961 -6.7961 2.3526 2.3526 2.3567 2.3567 3.2597 3.2597 3.2650 3.2650 5.1146 5.1146 5.1242 5.1242 7.7346 7.7346 7.7420 7.7420 9.4320 9.4320 9.4330 9.4330 10.0967 10.0967 10.1034 10.1034 21.8000 21.8000 21.8080 21.8080 23.0288 23.0288 23.0547 23.0547 k = 0.0000 0.5000 0.6562 ( 1554 PWs) bands (ev): -8.3460 -8.3460 -8.3438 -8.3438 -6.8122 -6.8122 -6.8115 -6.8115 2.3162 2.3162 2.3202 2.3202 3.2658 3.2658 3.2711 3.2711 5.0965 5.0965 5.1062 5.1062 7.7065 7.7065 7.7141 7.7141 9.4524 9.4524 9.4530 9.4530 10.0859 10.0859 10.0929 10.0929 21.7724 21.7724 21.7804 21.7804 23.0258 23.0258 23.0521 23.0521 k = 0.0000 0.5000 0.6691 ( 1554 PWs) bands (ev): -8.3094 -8.3094 -8.3071 -8.3071 -6.8273 -6.8273 -6.8267 -6.8267 2.2838 2.2838 2.2876 2.2876 3.2702 3.2702 3.2756 3.2756 5.0817 5.0817 5.0917 5.0917 7.6803 7.6803 7.6880 7.6880 9.4714 9.4714 9.4717 9.4717 10.0757 10.0757 10.0830 10.0830 21.7474 21.7474 21.7553 21.7553 23.0234 23.0234 23.0500 23.0500 k = 0.0000 0.5000 0.6820 ( 1558 PWs) bands (ev): -8.2759 -8.2759 -8.2734 -8.2734 -6.8417 -6.8417 -6.8412 -6.8412 2.2552 2.2552 2.2589 2.2589 3.2732 3.2732 3.2787 3.2787 5.0698 5.0698 5.0801 5.0801 7.6563 7.6563 7.6642 7.6642 9.4888 9.4888 9.4888 9.4888 10.0663 10.0663 10.0739 10.0739 21.7251 21.7251 21.7329 21.7329 23.0214 23.0214 23.0483 23.0483 k = 0.0000 0.5000 0.6948 ( 1550 PWs) bands (ev): -8.2457 -8.2457 -8.2431 -8.2431 -6.8552 -6.8552 -6.8548 -6.8548 2.2305 2.2305 2.2341 2.2341 3.2751 3.2751 3.2806 3.2806 5.0606 5.0606 5.0710 5.0710 7.6349 7.6349 7.6429 7.6429 9.5043 9.5043 9.5046 9.5046 10.0578 10.0578 10.0656 10.0656 21.7055 21.7055 21.7133 21.7133 23.0197 23.0197 23.0469 23.0469 k = 0.0000 0.5000 0.7077 ( 1548 PWs) bands (ev): -8.2192 -8.2192 -8.2166 -8.2166 -6.8673 -6.8673 -6.8671 -6.8671 2.2097 2.2097 2.2132 2.2132 3.2761 3.2761 3.2816 3.2816 5.0536 5.0536 5.0642 5.0642 7.6162 7.6162 7.6244 7.6244 9.5178 9.5178 9.5183 9.5183 10.0502 10.0502 10.0583 10.0583 21.6888 21.6888 21.6966 21.6966 23.0184 23.0184 23.0459 23.0459 k = 0.0000 0.5000 0.7206 ( 1548 PWs) bands (ev): -8.1970 -8.1970 -8.1942 -8.1942 -6.8779 -6.8779 -6.8777 -6.8777 2.1926 2.1926 2.1961 2.1961 3.2766 3.2766 3.2821 3.2821 5.0484 5.0484 5.0592 5.0592 7.6006 7.6006 7.6088 7.6088 9.5291 9.5291 9.5300 9.5300 10.0437 10.0437 10.0520 10.0520 21.6751 21.6751 21.6828 21.6828 23.0175 23.0175 23.0451 23.0451 k = 0.0000 0.5000 0.7334 ( 1548 PWs) bands (ev): -8.1792 -8.1792 -8.1764 -8.1764 -6.8865 -6.8865 -6.8864 -6.8864 2.1794 2.1794 2.1828 2.1828 3.2766 3.2766 3.2821 3.2821 5.0448 5.0448 5.0556 5.0556 7.5882 7.5882 7.5965 7.5965 9.5382 9.5382 9.5393 9.5393 10.0385 10.0385 10.0470 10.0470 21.6643 21.6643 21.6720 21.6720 23.0167 23.0167 23.0445 23.0445 k = 0.0000 0.5000 0.7463 ( 1548 PWs) bands (ev): -8.1663 -8.1663 -8.1634 -8.1634 -6.8929 -6.8929 -6.8929 -6.8929 2.1700 2.1700 2.1733 2.1733 3.2765 3.2765 3.2821 3.2821 5.0424 5.0424 5.0533 5.0533 7.5792 7.5792 7.5876 7.5876 9.5448 9.5448 9.5460 9.5460 10.0346 10.0346 10.0433 10.0433 21.6566 21.6566 21.6643 21.6643 23.0162 23.0162 23.0441 23.0441 k = 0.0000 0.5000 0.7592 ( 1544 PWs) bands (ev): -8.1585 -8.1585 -8.1555 -8.1555 -6.8968 -6.8968 -6.8968 -6.8968 2.1644 2.1644 2.1676 2.1676 3.2764 3.2764 3.2820 3.2820 5.0410 5.0410 5.0520 5.0520 7.5738 7.5738 7.5822 7.5822 9.5489 9.5489 9.5502 9.5502 10.0323 10.0323 10.0410 10.0410 21.6520 21.6520 21.6596 21.6596 23.0159 23.0159 23.0439 23.0439 k = 0.0000 0.5000 0.7721 ( 1536 PWs) bands (ev): -8.1558 -8.1558 -8.1529 -8.1529 -6.8981 -6.8981 -6.8981 -6.8981 2.1625 2.1625 2.1657 2.1657 3.2764 3.2764 3.2819 3.2819 5.0406 5.0406 5.0516 5.0516 7.5720 7.5720 7.5804 7.5804 9.5502 9.5502 9.5516 9.5516 10.0315 10.0315 10.0403 10.0403 21.6504 21.6504 21.6581 21.6581 23.0158 23.0158 23.0439 23.0439 k = 0.5000 0.5000-0.0000 ( 1560 PWs) bands (ev): -9.4496 -9.4496 -9.4495 -9.4495 -7.8815 -7.8815 -7.8815 -7.8815 3.7525 3.7525 3.7526 3.7526 5.7927 5.7927 5.7927 5.7927 7.6727 7.6727 7.6727 7.6727 8.3972 8.3972 8.3972 8.3972 9.0138 9.0138 9.0139 9.0139 9.4682 9.4682 9.4682 9.4682 20.3835 20.3835 20.3835 20.3835 22.7982 22.7982 22.7982 22.7982 k = 0.5000 0.5000 0.0129 ( 1560 PWs) bands (ev): -9.4488 -9.4488 -9.4488 -9.4488 -7.8809 -7.8809 -7.8809 -7.8809 3.7509 3.7509 3.7510 3.7510 5.7928 5.7928 5.7928 5.7928 7.6712 7.6712 7.6712 7.6712 8.3847 8.3847 8.3847 8.3847 9.0241 9.0241 9.0241 9.0241 9.4687 9.4687 9.4687 9.4687 20.3870 20.3870 20.3871 20.3871 22.8015 22.8015 22.8016 22.8016 k = 0.5000 0.5000 0.0257 ( 1560 PWs) bands (ev): -9.4465 -9.4465 -9.4464 -9.4464 -7.8790 -7.8790 -7.8790 -7.8790 3.7461 3.7461 3.7462 3.7462 5.7930 5.7930 5.7930 5.7930 7.6667 7.6667 7.6668 7.6668 8.3495 8.3495 8.3496 8.3496 9.0526 9.0526 9.0526 9.0526 9.4701 9.4701 9.4701 9.4701 20.3977 20.3977 20.3978 20.3978 22.8115 22.8115 22.8116 22.8116 k = 0.5000 0.5000 0.0386 ( 1560 PWs) bands (ev): -9.4427 -9.4427 -9.4426 -9.4426 -7.8760 -7.8760 -7.8760 -7.8760 3.7381 3.7381 3.7381 3.7381 5.7933 5.7933 5.7934 5.7934 7.6594 7.6594 7.6594 7.6594 8.2967 8.2967 8.2967 8.2967 9.0944 9.0944 9.0944 9.0944 9.4725 9.4725 9.4725 9.4725 20.4153 20.4153 20.4154 20.4154 22.8282 22.8282 22.8282 22.8282 k = 0.5000 0.5000 0.0515 ( 1568 PWs) bands (ev): -9.4373 -9.4373 -9.4373 -9.4373 -7.8717 -7.8717 -7.8717 -7.8717 3.7268 3.7268 3.7269 3.7269 5.7938 5.7938 5.7938 5.7938 7.6493 7.6493 7.6493 7.6493 8.2312 8.2312 8.2313 8.2313 9.1445 9.1445 9.1445 9.1445 9.4759 9.4759 9.4759 9.4759 20.4397 20.4397 20.4397 20.4397 22.8512 22.8512 22.8513 22.8513 k = 0.5000 0.5000 0.0643 ( 1568 PWs) bands (ev): -9.4304 -9.4304 -9.4304 -9.4304 -7.8663 -7.8663 -7.8662 -7.8662 3.7123 3.7123 3.7123 3.7123 5.7942 5.7942 5.7942 5.7942 7.6365 7.6365 7.6366 7.6366 8.1571 8.1571 8.1571 8.1571 9.1992 9.1992 9.1992 9.1992 9.4802 9.4802 9.4802 9.4802 20.4705 20.4705 20.4706 20.4706 22.8806 22.8806 22.8807 22.8807 k = 0.5000 0.5000 0.0772 ( 1560 PWs) bands (ev): -9.4220 -9.4220 -9.4220 -9.4220 -7.8596 -7.8596 -7.8596 -7.8596 3.6945 3.6945 3.6945 3.6945 5.7944 5.7944 5.7945 5.7945 7.6214 7.6214 7.6214 7.6214 8.0768 8.0768 8.0768 8.0768 9.2562 9.2562 9.2562 9.2562 9.4855 9.4855 9.4855 9.4855 20.5075 20.5075 20.5075 20.5075 22.9161 22.9161 22.9162 22.9162 k = 0.5000 0.5000 0.0901 ( 1564 PWs) bands (ev): -9.4121 -9.4121 -9.4121 -9.4121 -7.8517 -7.8517 -7.8517 -7.8517 3.6733 3.6733 3.6733 3.6733 5.7945 5.7945 5.7945 5.7945 7.6040 7.6040 7.6040 7.6040 7.9921 7.9921 7.9921 7.9921 9.3137 9.3137 9.3137 9.3137 9.4917 9.4917 9.4917 9.4917 20.5500 20.5500 20.5501 20.5501 22.9574 22.9574 22.9575 22.9575 k = 0.5000 0.5000 0.1029 ( 1572 PWs) bands (ev): -9.4008 -9.4008 -9.4007 -9.4007 -7.8427 -7.8427 -7.8427 -7.8427 3.6488 3.6488 3.6488 3.6488 5.7941 5.7941 5.7941 5.7941 7.5846 7.5846 7.5846 7.5846 7.9044 7.9044 7.9044 7.9044 9.3709 9.3709 9.3709 9.3709 9.4989 9.4989 9.4989 9.4989 20.5976 20.5976 20.5977 20.5977 23.0043 23.0043 23.0043 23.0043 k = 0.5000 0.5000 0.1158 ( 1572 PWs) bands (ev): -9.3879 -9.3879 -9.3879 -9.3879 -7.8325 -7.8325 -7.8325 -7.8325 3.6208 3.6208 3.6208 3.6208 5.7930 5.7930 5.7931 5.7931 7.5635 7.5635 7.5635 7.5635 7.8146 7.8146 7.8147 7.8147 9.4270 9.4270 9.4270 9.4270 9.5070 9.5070 9.5071 9.5071 20.6497 20.6497 20.6498 20.6498 23.0562 23.0562 23.0563 23.0563 k = 0.5000 0.5000 0.1287 ( 1572 PWs) bands (ev): -9.3736 -9.3736 -9.3736 -9.3736 -7.8211 -7.8211 -7.8211 -7.8211 3.5894 3.5894 3.5894 3.5894 5.7911 5.7911 5.7911 5.7911 7.5410 7.5410 7.5410 7.5410 7.7237 7.7237 7.7237 7.7237 9.4812 9.4812 9.4812 9.4812 9.5166 9.5166 9.5166 9.5166 20.7055 20.7055 20.7056 20.7056 23.1129 23.1129 23.1129 23.1129 k = 0.5000 0.5000 0.1415 ( 1572 PWs) bands (ev): -9.3579 -9.3579 -9.3578 -9.3578 -7.8087 -7.8087 -7.8086 -7.8086 3.5545 3.5545 3.5545 3.5545 5.7879 5.7879 5.7880 5.7880 7.5172 7.5172 7.5172 7.5172 7.6325 7.6325 7.6325 7.6325 9.5223 9.5223 9.5223 9.5223 9.5383 9.5383 9.5383 9.5383 20.7644 20.7644 20.7644 20.7644 23.1737 23.1737 23.1738 23.1738 k = 0.5000 0.5000 0.1544 ( 1572 PWs) bands (ev): -9.3407 -9.3407 -9.3407 -9.3407 -7.7951 -7.7951 -7.7951 -7.7951 3.5161 3.5161 3.5162 3.5162 5.7832 5.7832 5.7832 5.7832 7.4918 7.4918 7.4918 7.4918 7.5425 7.5425 7.5425 7.5425 9.5351 9.5351 9.5351 9.5351 9.5874 9.5874 9.5874 9.5874 20.8253 20.8253 20.8254 20.8254 23.2382 23.2382 23.2383 23.2383 k = 0.5000 0.5000 0.1673 ( 1572 PWs) bands (ev): -9.3222 -9.3222 -9.3222 -9.3222 -7.7804 -7.7804 -7.7804 -7.7804 3.4742 3.4742 3.4742 3.4742 5.7764 5.7764 5.7764 5.7764 7.4458 7.4458 7.4458 7.4458 7.4736 7.4736 7.4736 7.4736 9.5468 9.5468 9.5468 9.5468 9.6363 9.6363 9.6363 9.6363 20.8874 20.8874 20.8875 20.8875 23.3058 23.3058 23.3058 23.3058 k = 0.5000 0.5000 0.1801 ( 1584 PWs) bands (ev): -9.3023 -9.3023 -9.3023 -9.3023 -7.7647 -7.7647 -7.7647 -7.7647 3.4288 3.4288 3.4288 3.4288 5.7669 5.7669 5.7669 5.7669 7.3606 7.3606 7.3606 7.3606 7.4456 7.4456 7.4456 7.4456 9.5591 9.5591 9.5592 9.5592 9.6832 9.6832 9.6832 9.6832 20.9497 20.9497 20.9498 20.9498 23.3756 23.3756 23.3757 23.3757 k = 0.5000 0.5000 0.1930 ( 1584 PWs) bands (ev): -9.2811 -9.2811 -9.2811 -9.2811 -7.7479 -7.7479 -7.7479 -7.7479 3.3799 3.3799 3.3799 3.3799 5.7542 5.7542 5.7542 5.7542 7.2755 7.2755 7.2755 7.2755 7.4203 7.4203 7.4204 7.4204 9.5722 9.5722 9.5722 9.5722 9.7281 9.7281 9.7281 9.7281 21.0112 21.0112 21.0113 21.0113 23.4470 23.4470 23.4471 23.4471 k = 0.5000 0.5000 0.2059 ( 1584 PWs) bands (ev): -9.2586 -9.2586 -9.2586 -9.2586 -7.7302 -7.7302 -7.7302 -7.7302 3.3275 3.3275 3.3275 3.3275 5.7375 5.7375 5.7376 5.7376 7.1938 7.1938 7.1938 7.1938 7.3958 7.3958 7.3959 7.3959 9.5860 9.5860 9.5860 9.5860 9.7708 9.7708 9.7708 9.7708 21.0708 21.0708 21.0709 21.0709 23.5191 23.5191 23.5192 23.5192 k = 0.5000 0.5000 0.2187 ( 1576 PWs) bands (ev): -9.2348 -9.2348 -9.2348 -9.2348 -7.7114 -7.7114 -7.7114 -7.7114 3.2717 3.2717 3.2717 3.2717 5.7161 5.7161 5.7161 5.7161 7.1167 7.1167 7.1167 7.1167 7.3721 7.3721 7.3721 7.3721 9.6005 9.6005 9.6005 9.6005 9.8114 9.8114 9.8114 9.8114 21.1276 21.1276 21.1277 21.1277 23.5910 23.5910 23.5911 23.5911 k = 0.5000 0.5000 0.2316 ( 1576 PWs) bands (ev): -9.2098 -9.2098 -9.2098 -9.2098 -7.6918 -7.6918 -7.6917 -7.6917 3.2126 3.2126 3.2126 3.2126 5.6891 5.6891 5.6891 5.6891 7.0451 7.0451 7.0451 7.0451 7.3493 7.3493 7.3493 7.3493 9.6156 9.6156 9.6157 9.6157 9.8497 9.8497 9.8497 9.8497 21.1802 21.1802 21.1803 21.1803 23.6617 23.6617 23.6617 23.6617 k = 0.5000 0.5000 0.2445 ( 1568 PWs) bands (ev): -9.1837 -9.1837 -9.1836 -9.1836 -7.6712 -7.6712 -7.6712 -7.6712 3.1502 3.1502 3.1503 3.1503 5.6558 5.6558 5.6558 5.6558 6.9802 6.9802 6.9802 6.9802 7.3275 7.3275 7.3276 7.3276 9.6315 9.6315 9.6315 9.6315 9.8860 9.8860 9.8860 9.8860 21.2279 21.2279 21.2279 21.2279 23.7300 23.7300 23.7300 23.7300 k = 0.5000 0.5000 0.2574 ( 1568 PWs) bands (ev): -9.1564 -9.1564 -9.1563 -9.1563 -7.6498 -7.6498 -7.6497 -7.6497 3.0848 3.0848 3.0848 3.0848 5.6155 5.6155 5.6155 5.6155 6.9226 6.9226 6.9226 6.9226 7.3070 7.3070 7.3071 7.3071 9.6479 9.6479 9.6479 9.6479 9.9201 9.9201 9.9201 9.9201 21.2696 21.2696 21.2696 21.2696 23.7948 23.7948 23.7948 23.7948 k = 0.5000 0.5000 0.2702 ( 1568 PWs) bands (ev): -9.1280 -9.1280 -9.1279 -9.1279 -7.6275 -7.6275 -7.6275 -7.6275 3.0164 3.0164 3.0164 3.0164 5.5679 5.5679 5.5679 5.5679 6.8729 6.8729 6.8729 6.8729 7.2879 7.2879 7.2880 7.2880 9.6649 9.6649 9.6649 9.6649 9.9521 9.9521 9.9521 9.9521 21.3046 21.3046 21.3047 21.3047 23.8550 23.8550 23.8551 23.8551 k = 0.5000 0.5000 0.2831 ( 1576 PWs) bands (ev): -9.0985 -9.0985 -9.0985 -9.0985 -7.6045 -7.6045 -7.6044 -7.6044 2.9452 2.9452 2.9452 2.9452 5.5129 5.5129 5.5130 5.5130 6.8314 6.8314 6.8314 6.8314 7.2704 7.2704 7.2704 7.2704 9.6824 9.6824 9.6824 9.6824 9.9820 9.9820 9.9820 9.9820 21.3323 21.3323 21.3324 21.3324 23.9096 23.9096 23.9096 23.9096 k = 0.5000 0.5000 0.2960 ( 1576 PWs) bands (ev): -9.0681 -9.0681 -9.0680 -9.0680 -7.5807 -7.5807 -7.5807 -7.5807 2.8713 2.8713 2.8714 2.8714 5.4508 5.4508 5.4508 5.4508 6.7980 6.7980 6.7980 6.7980 7.2544 7.2544 7.2544 7.2544 9.7004 9.7004 9.7005 9.7005 10.0100 10.0100 10.0100 10.0100 21.3525 21.3525 21.3525 21.3525 23.9575 23.9575 23.9575 23.9575 k = 0.5000 0.5000 0.3088 ( 1584 PWs) bands (ev): -9.0367 -9.0367 -9.0367 -9.0367 -7.5562 -7.5562 -7.5562 -7.5562 2.7951 2.7951 2.7951 2.7951 5.3819 5.3819 5.3819 5.3819 6.7723 6.7723 6.7723 6.7723 7.2400 7.2400 7.2400 7.2400 9.7189 9.7189 9.7189 9.7189 10.0359 10.0359 10.0359 10.0359 21.3647 21.3647 21.3647 21.3647 23.9980 23.9980 23.9980 23.9980 k = 0.5000 0.5000 0.3217 ( 1584 PWs) bands (ev): -9.0045 -9.0045 -9.0045 -9.0045 -7.5311 -7.5311 -7.5311 -7.5311 2.7166 2.7166 2.7166 2.7166 5.3072 5.3072 5.3072 5.3072 6.7538 6.7538 6.7538 6.7538 7.2273 7.2273 7.2273 7.2273 9.7378 9.7378 9.7378 9.7378 10.0599 10.0599 10.0599 10.0599 21.3691 21.3691 21.3691 21.3691 24.0304 24.0304 24.0305 24.0305 k = 0.5000 0.5000 0.3346 ( 1584 PWs) bands (ev): -8.9715 -8.9715 -8.9714 -8.9714 -7.5055 -7.5055 -7.5054 -7.5054 2.6362 2.6362 2.6362 2.6362 5.2273 5.2273 5.2273 5.2273 6.7417 6.7417 6.7418 6.7418 7.2163 7.2163 7.2163 7.2163 9.7571 9.7571 9.7571 9.7571 10.0821 10.0821 10.0821 10.0821 21.3658 21.3658 21.3658 21.3658 24.0547 24.0547 24.0547 24.0547 k = 0.5000 0.5000 0.3474 ( 1580 PWs) bands (ev): -8.9377 -8.9377 -8.9376 -8.9376 -7.4793 -7.4793 -7.4792 -7.4792 2.5540 2.5540 2.5541 2.5541 5.1432 5.1432 5.1432 5.1432 6.7353 6.7353 6.7354 6.7354 7.2070 7.2070 7.2070 7.2070 9.7766 9.7766 9.7767 9.7767 10.1024 10.1024 10.1024 10.1024 21.3552 21.3552 21.3553 21.3553 24.0707 24.0707 24.0708 24.0708 k = 0.5000 0.5000 0.3603 ( 1580 PWs) bands (ev): -8.9032 -8.9032 -8.9032 -8.9032 -7.4526 -7.4526 -7.4526 -7.4526 2.4704 2.4704 2.4704 2.4704 5.0558 5.0558 5.0558 5.0558 6.7338 6.7338 6.7339 6.7339 7.1994 7.1994 7.1994 7.1994 9.7965 9.7965 9.7965 9.7965 10.1210 10.1210 10.1210 10.1210 21.3378 21.3378 21.3379 21.3379 24.0788 24.0788 24.0789 24.0789 k = 0.5000 0.5000 0.3732 ( 1572 PWs) bands (ev): -8.8682 -8.8682 -8.8681 -8.8681 -7.4256 -7.4256 -7.4255 -7.4255 2.3856 2.3856 2.3856 2.3856 4.9659 4.9659 4.9659 4.9659 6.7366 6.7366 6.7366 6.7366 7.1933 7.1933 7.1933 7.1933 9.8165 9.8165 9.8165 9.8165 10.1378 10.1378 10.1378 10.1378 21.3142 21.3142 21.3143 21.3143 24.0797 24.0797 24.0798 24.0798 k = 0.5000 0.5000 0.3860 ( 1564 PWs) bands (ev): -8.8326 -8.8326 -8.8325 -8.8325 -7.3981 -7.3981 -7.3981 -7.3981 2.2998 2.2998 2.2998 2.2998 4.8743 4.8743 4.8743 4.8743 6.7430 6.7430 6.7430 6.7430 7.1888 7.1888 7.1888 7.1888 9.8367 9.8367 9.8368 9.8368 10.1530 10.1530 10.1530 10.1530 21.2849 21.2849 21.2850 21.2850 24.0741 24.0741 24.0742 24.0742 k = 0.5000 0.5000 0.3989 ( 1564 PWs) bands (ev): -8.7966 -8.7966 -8.7966 -8.7966 -7.3705 -7.3705 -7.3705 -7.3705 2.2133 2.2133 2.2133 2.2133 4.7815 4.7815 4.7815 4.7815 6.7524 6.7524 6.7524 6.7524 7.1858 7.1858 7.1858 7.1858 9.8571 9.8571 9.8571 9.8571 10.1665 10.1665 10.1665 10.1665 21.2507 21.2507 21.2508 21.2508 24.0629 24.0629 24.0629 24.0629 k = 0.5000 0.5000 0.4118 ( 1564 PWs) bands (ev): -8.7603 -8.7603 -8.7602 -8.7602 -7.3426 -7.3426 -7.3426 -7.3426 2.1264 2.1264 2.1265 2.1265 4.6882 4.6882 4.6882 4.6882 6.7644 6.7644 6.7644 6.7644 7.1841 7.1841 7.1841 7.1841 9.8774 9.8774 9.8775 9.8775 10.1785 10.1785 10.1785 10.1785 21.2122 21.2122 21.2123 21.2123 24.0470 24.0470 24.0471 24.0471 k = 0.5000 0.5000 0.4246 ( 1564 PWs) bands (ev): -8.7237 -8.7237 -8.7236 -8.7236 -7.3147 -7.3147 -7.3146 -7.3146 2.0395 2.0395 2.0395 2.0395 4.5948 4.5948 4.5948 4.5948 6.7786 6.7786 6.7786 6.7786 7.1838 7.1838 7.1838 7.1838 9.8978 9.8978 9.8978 9.8978 10.1890 10.1890 10.1890 10.1890 21.1701 21.1701 21.1702 21.1702 24.0275 24.0275 24.0275 24.0275 k = 0.5000 0.5000 0.4375 ( 1588 PWs) bands (ev): -8.6869 -8.6869 -8.6869 -8.6869 -7.2866 -7.2866 -7.2866 -7.2866 1.9526 1.9526 1.9526 1.9526 4.5019 4.5019 4.5019 4.5019 6.7945 6.7945 6.7945 6.7945 7.1846 7.1846 7.1846 7.1846 9.9181 9.9181 9.9181 9.9181 10.1979 10.1979 10.1979 10.1979 21.1250 21.1250 21.1251 21.1251 24.0051 24.0051 24.0051 24.0051 k = 0.5000 0.5000 0.4504 ( 1588 PWs) bands (ev): -8.6501 -8.6501 -8.6501 -8.6501 -7.2586 -7.2586 -7.2586 -7.2586 1.8662 1.8662 1.8662 1.8662 4.4099 4.4099 4.4099 4.4099 6.8119 6.8119 6.8119 6.8119 7.1865 7.1865 7.1866 7.1866 9.9383 9.9383 9.9383 9.9383 10.2056 10.2056 10.2056 10.2056 21.0776 21.0776 21.0777 21.0777 23.9808 23.9808 23.9809 23.9809 k = 0.5000 0.5000 0.4632 ( 1588 PWs) bands (ev): -8.6133 -8.6133 -8.6133 -8.6133 -7.2308 -7.2308 -7.2307 -7.2307 1.7805 1.7805 1.7805 1.7805 4.3191 4.3191 4.3191 4.3191 6.8305 6.8305 6.8306 6.8306 7.1895 7.1895 7.1895 7.1895 9.9583 9.9583 9.9583 9.9583 10.2120 10.2120 10.2120 10.2120 21.0284 21.0284 21.0285 21.0285 23.9554 23.9554 23.9555 23.9555 k = 0.5000 0.5000 0.4761 ( 1580 PWs) bands (ev): -8.5767 -8.5767 -8.5767 -8.5767 -7.2031 -7.2031 -7.2030 -7.2030 1.6957 1.6957 1.6958 1.6958 4.2298 4.2298 4.2298 4.2298 6.8501 6.8501 6.8502 6.8502 7.1934 7.1934 7.1934 7.1934 9.9781 9.9781 9.9781 9.9781 10.2172 10.2172 10.2172 10.2172 20.9780 20.9780 20.9781 20.9781 23.9295 23.9295 23.9296 23.9296 k = 0.5000 0.5000 0.4890 ( 1580 PWs) bands (ev): -8.5404 -8.5404 -8.5403 -8.5403 -7.1756 -7.1756 -7.1756 -7.1756 1.6122 1.6122 1.6122 1.6122 4.1424 4.1424 4.1424 4.1424 6.8705 6.8705 6.8705 6.8705 7.1980 7.1980 7.1980 7.1980 9.9976 9.9976 9.9976 9.9976 10.2212 10.2212 10.2212 10.2212 20.9268 20.9268 20.9269 20.9269 23.9037 23.9037 23.9038 23.9038 k = 0.5000 0.5000 0.5018 ( 1580 PWs) bands (ev): -8.5044 -8.5044 -8.5044 -8.5044 -7.1486 -7.1486 -7.1486 -7.1486 1.5302 1.5302 1.5302 1.5302 4.0571 4.0571 4.0571 4.0571 6.8913 6.8913 6.8914 6.8914 7.2034 7.2034 7.2034 7.2034 10.0167 10.0167 10.0168 10.0168 10.2241 10.2241 10.2241 10.2241 20.8753 20.8753 20.8754 20.8754 23.8786 23.8786 23.8786 23.8786 k = 0.5000 0.5000 0.5147 ( 1580 PWs) bands (ev): -8.4689 -8.4689 -8.4689 -8.4689 -7.1220 -7.1220 -7.1220 -7.1220 1.4499 1.4499 1.4499 1.4499 3.9741 3.9741 3.9741 3.9741 6.9125 6.9125 6.9125 6.9125 7.2093 7.2093 7.2093 7.2093 10.0355 10.0355 10.0355 10.0355 10.2261 10.2261 10.2261 10.2261 20.8239 20.8239 20.8240 20.8240 23.8545 23.8545 23.8546 23.8546 k = 0.5000 0.5000 0.5276 ( 1572 PWs) bands (ev): -8.4341 -8.4341 -8.4340 -8.4340 -7.0959 -7.0959 -7.0959 -7.0959 1.3717 1.3717 1.3717 1.3717 3.8937 3.8937 3.8937 3.8937 6.9339 6.9339 6.9339 6.9339 7.2157 7.2157 7.2157 7.2157 10.0537 10.0537 10.0538 10.0538 10.2271 10.2271 10.2271 10.2271 20.7730 20.7730 20.7730 20.7730 23.8320 23.8320 23.8320 23.8320 k = 0.5000 0.5000 0.5404 ( 1576 PWs) bands (ev): -8.3999 -8.3999 -8.3999 -8.3999 -7.0705 -7.0705 -7.0705 -7.0705 1.2957 1.2957 1.2957 1.2957 3.8162 3.8162 3.8162 3.8162 6.9552 6.9552 6.9553 6.9553 7.2225 7.2225 7.2225 7.2225 10.0714 10.0714 10.0715 10.0715 10.2273 10.2273 10.2273 10.2273 20.7229 20.7229 20.7229 20.7229 23.8113 23.8113 23.8113 23.8113 k = 0.5000 0.5000 0.5533 ( 1576 PWs) bands (ev): -8.3667 -8.3667 -8.3666 -8.3666 -7.0458 -7.0458 -7.0458 -7.0458 1.2222 1.2222 1.2222 1.2222 3.7416 3.7416 3.7416 3.7416 6.9764 6.9764 6.9765 6.9765 7.2295 7.2295 7.2295 7.2295 10.0886 10.0886 10.0886 10.0886 10.2268 10.2268 10.2268 10.2268 20.6739 20.6739 20.6739 20.6739 23.7926 23.7926 23.7926 23.7926 k = 0.5000 0.5000 0.5662 ( 1576 PWs) bands (ev): -8.3344 -8.3344 -8.3344 -8.3344 -7.0219 -7.0219 -7.0219 -7.0219 1.1514 1.1514 1.1514 1.1514 3.6703 3.6703 3.6703 3.6703 6.9973 6.9973 6.9974 6.9974 7.2367 7.2367 7.2367 7.2367 10.1051 10.1051 10.1051 10.1051 10.2256 10.2256 10.2256 10.2256 20.6264 20.6264 20.6264 20.6264 23.7762 23.7762 23.7763 23.7763 k = 0.5000 0.5000 0.5790 ( 1568 PWs) bands (ev): -8.3033 -8.3033 -8.3032 -8.3032 -6.9989 -6.9989 -6.9989 -6.9989 1.0836 1.0836 1.0837 1.0837 3.6024 3.6024 3.6024 3.6024 7.0178 7.0178 7.0178 7.0178 7.2440 7.2440 7.2440 7.2440 10.1209 10.1209 10.1209 10.1209 10.2240 10.2240 10.2240 10.2240 20.5805 20.5805 20.5806 20.5806 23.7624 23.7624 23.7624 23.7624 k = 0.5000 0.5000 0.5919 ( 1564 PWs) bands (ev): -8.2734 -8.2734 -8.2733 -8.2733 -6.9769 -6.9769 -6.9768 -6.9768 1.0191 1.0191 1.0191 1.0191 3.5380 3.5380 3.5380 3.5380 7.0376 7.0376 7.0377 7.0377 7.2513 7.2513 7.2513 7.2513 10.1359 10.1359 10.1359 10.1359 10.2218 10.2218 10.2218 10.2218 20.5366 20.5366 20.5366 20.5366 23.7512 23.7512 23.7512 23.7512 k = 0.5000 0.5000 0.6048 ( 1564 PWs) bands (ev): -8.2449 -8.2449 -8.2448 -8.2448 -6.9559 -6.9559 -6.9559 -6.9559 0.9579 0.9579 0.9579 0.9579 3.4774 3.4774 3.4774 3.4774 7.0568 7.0568 7.0568 7.0568 7.2585 7.2585 7.2585 7.2585 10.1501 10.1501 10.1501 10.1501 10.2193 10.2193 10.2193 10.2193 20.4948 20.4948 20.4949 20.4949 23.7428 23.7428 23.7428 23.7428 k = 0.5000 0.5000 0.6176 ( 1564 PWs) bands (ev): -8.2179 -8.2179 -8.2178 -8.2178 -6.9362 -6.9362 -6.9361 -6.9361 0.9003 0.9003 0.9003 0.9003 3.4206 3.4206 3.4206 3.4206 7.0750 7.0750 7.0751 7.0751 7.2655 7.2655 7.2655 7.2655 10.1633 10.1633 10.1634 10.1634 10.2166 10.2166 10.2167 10.2167 20.4554 20.4554 20.4554 20.4554 23.7372 23.7372 23.7372 23.7372 k = 0.5000 0.5000 0.6305 ( 1564 PWs) bands (ev): -8.1925 -8.1925 -8.1925 -8.1925 -6.9176 -6.9176 -6.9176 -6.9176 0.8465 0.8465 0.8466 0.8466 3.3678 3.3678 3.3678 3.3678 7.0924 7.0924 7.0924 7.0924 7.2722 7.2722 7.2722 7.2722 10.1755 10.1755 10.1756 10.1756 10.2139 10.2139 10.2139 10.2139 20.4185 20.4185 20.4185 20.4185 23.7345 23.7345 23.7345 23.7345 k = 0.5000 0.5000 0.6434 ( 1564 PWs) bands (ev): -8.1689 -8.1689 -8.1689 -8.1689 -6.9004 -6.9004 -6.9004 -6.9004 0.7968 0.7968 0.7968 0.7968 3.3191 3.3191 3.3191 3.3191 7.1086 7.1086 7.1086 7.1086 7.2787 7.2787 7.2787 7.2787 10.1865 10.1865 10.1865 10.1865 10.2115 10.2115 10.2115 10.2115 20.3843 20.3843 20.3843 20.3843 23.7346 23.7346 23.7347 23.7347 k = 0.5000 0.5000 0.6562 ( 1564 PWs) bands (ev): -8.1471 -8.1471 -8.1471 -8.1471 -6.8846 -6.8846 -6.8846 -6.8846 0.7512 0.7512 0.7512 0.7512 3.2747 3.2747 3.2747 3.2747 7.1236 7.1236 7.1237 7.1237 7.2847 7.2847 7.2847 7.2847 10.1951 10.1951 10.1951 10.1951 10.2103 10.2103 10.2103 10.2103 20.3529 20.3529 20.3529 20.3529 23.7377 23.7377 23.7377 23.7377 k = 0.5000 0.5000 0.6691 ( 1564 PWs) bands (ev): -8.1274 -8.1274 -8.1273 -8.1273 -6.8702 -6.8702 -6.8702 -6.8702 0.7100 0.7100 0.7100 0.7100 3.2347 3.2347 3.2347 3.2347 7.1374 7.1374 7.1374 7.1374 7.2902 7.2902 7.2902 7.2902 10.1988 10.1988 10.1988 10.1988 10.2131 10.2131 10.2132 10.2132 20.3244 20.3244 20.3245 20.3245 23.7435 23.7435 23.7435 23.7435 k = 0.5000 0.5000 0.6820 ( 1556 PWs) bands (ev): -8.1096 -8.1096 -8.1096 -8.1096 -6.8574 -6.8574 -6.8574 -6.8574 0.6732 0.6732 0.6732 0.6732 3.1992 3.1992 3.1992 3.1992 7.1498 7.1498 7.1498 7.1498 7.2953 7.2953 7.2953 7.2953 10.1981 10.1981 10.1981 10.1981 10.2196 10.2196 10.2196 10.2196 20.2991 20.2991 20.2991 20.2991 23.7520 23.7520 23.7520 23.7520 k = 0.5000 0.5000 0.6948 ( 1556 PWs) bands (ev): -8.0941 -8.0941 -8.0940 -8.0940 -6.8461 -6.8461 -6.8461 -6.8461 0.6410 0.6410 0.6411 0.6411 3.1682 3.1682 3.1682 3.1682 7.1607 7.1607 7.1607 7.1607 7.2998 7.2998 7.2998 7.2998 10.1961 10.1961 10.1961 10.1961 10.2263 10.2263 10.2263 10.2263 20.2770 20.2770 20.2770 20.2770 23.7629 23.7629 23.7630 23.7630 k = 0.5000 0.5000 0.7077 ( 1556 PWs) bands (ev): -8.0808 -8.0808 -8.0807 -8.0807 -6.8365 -6.8365 -6.8365 -6.8365 0.6136 0.6136 0.6137 0.6137 3.1418 3.1418 3.1418 3.1418 7.1701 7.1701 7.1701 7.1701 7.3036 7.3036 7.3036 7.3036 10.1941 10.1941 10.1941 10.1941 10.2324 10.2324 10.2324 10.2324 20.2581 20.2581 20.2581 20.2581 23.7759 23.7759 23.7759 23.7759 k = 0.5000 0.5000 0.7206 ( 1564 PWs) bands (ev): -8.0698 -8.0698 -8.0697 -8.0697 -6.8286 -6.8286 -6.8286 -6.8286 0.5911 0.5911 0.5911 0.5911 3.1201 3.1201 3.1201 3.1201 7.1778 7.1778 7.1778 7.1778 7.3069 7.3069 7.3069 7.3069 10.1922 10.1922 10.1922 10.1922 10.2374 10.2374 10.2375 10.2375 20.2425 20.2425 20.2425 20.2425 23.7903 23.7903 23.7904 23.7904 k = 0.5000 0.5000 0.7334 ( 1564 PWs) bands (ev): -8.0612 -8.0612 -8.0611 -8.0611 -6.8224 -6.8224 -6.8224 -6.8224 0.5734 0.5734 0.5734 0.5734 3.1032 3.1032 3.1032 3.1032 7.1839 7.1839 7.1839 7.1839 7.3094 7.3094 7.3094 7.3094 10.1906 10.1906 10.1907 10.1907 10.2415 10.2415 10.2415 10.2415 20.2303 20.2303 20.2303 20.2303 23.8053 23.8053 23.8053 23.8053 k = 0.5000 0.5000 0.7463 ( 1564 PWs) bands (ev): -8.0550 -8.0550 -8.0549 -8.0549 -6.8180 -6.8180 -6.8179 -6.8179 0.5608 0.5608 0.5608 0.5608 3.0911 3.0911 3.0911 3.0911 7.1883 7.1883 7.1883 7.1883 7.3112 7.3112 7.3112 7.3112 10.1895 10.1895 10.1895 10.1895 10.2443 10.2443 10.2444 10.2444 20.2216 20.2216 20.2216 20.2216 23.8190 23.8190 23.8190 23.8190 k = 0.5000 0.5000 0.7592 ( 1568 PWs) bands (ev): -8.0513 -8.0513 -8.0512 -8.0512 -6.8153 -6.8153 -6.8152 -6.8152 0.5532 0.5532 0.5532 0.5532 3.0838 3.0838 3.0838 3.0838 7.1908 7.1908 7.1909 7.1909 7.3123 7.3123 7.3123 7.3123 10.1888 10.1888 10.1888 10.1888 10.2461 10.2461 10.2461 10.2461 20.2163 20.2163 20.2164 20.2164 23.8292 23.8292 23.8292 23.8292 k = 0.5000 0.5000 0.7721 ( 1568 PWs) bands (ev): -8.0500 -8.0500 -8.0500 -8.0500 -6.8144 -6.8144 -6.8144 -6.8144 0.5506 0.5506 0.5506 0.5506 3.0814 3.0814 3.0814 3.0814 7.1917 7.1917 7.1918 7.1918 7.3127 7.3127 7.3127 7.3127 10.1885 10.1885 10.1885 10.1885 10.2467 10.2467 10.2467 10.2467 20.2146 20.2146 20.2146 20.2146 23.8331 23.8331 23.8331 23.8331 Writing output data file SiO2.save init_run : 0.62s CPU 0.75s WALL ( 1 calls) electrons : 109.86s CPU 112.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 109.86s CPU 112.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 455 calls) cegterg : 102.88s CPU 104.88s WALL ( 628 calls) Called by sum_band: Called by *egterg: h_psi : 43.43s CPU 44.90s WALL ( 11178 calls) s_psi : 3.24s CPU 3.02s WALL ( 11178 calls) g_psi : 0.11s CPU 0.11s WALL ( 10095 calls) cdiaghg : 53.50s CPU 54.46s WALL ( 10550 calls) cegterg:over : 3.01s CPU 3.11s WALL ( 10095 calls) cegterg:upda : 2.09s CPU 2.00s WALL ( 10095 calls) cegterg:last : 1.14s CPU 1.15s WALL ( 1586 calls) cdiaghg:chol : 2.80s CPU 2.74s WALL ( 10550 calls) cdiaghg:inve : 1.76s CPU 1.67s WALL ( 10550 calls) cdiaghg:para : 3.03s CPU 3.11s WALL ( 21100 calls) Called by h_psi: h_psi:vloc : 36.37s CPU 37.71s WALL ( 11178 calls) h_psi:vnl : 6.98s CPU 7.12s WALL ( 11178 calls) add_vuspsi : 3.65s CPU 3.68s WALL ( 11178 calls) General routines calbec : 3.30s CPU 3.41s WALL ( 11178 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.30s CPU 35.61s WALL ( 847020 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 910 calls) Parallel routines fft_scatter : 17.24s CPU 17.91s WALL ( 847043 calls) PWSCF : 2m 1.71s CPU 2m16.63s WALL This run was terminated on: 20:59:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=