Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 6:36 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: ./BaLi2Si.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 96 26 5292 5292 764 Max 97 97 27 5297 5297 767 Sum 3461 3461 959 190539 190539 27573 bravais-lattice index = 14 lattice parameter (alat) = 8.9573 a.u. unit-cell volume = 1349.4557 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.957301 celldm(2)= 1.318565 celldm(3)= 1.424051 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 1.318565 0.000000 ) a(3) = ( 0.000000 0.000000 1.424051 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.758400 -0.000000 ) b(3) = ( 0.000000 0.000000 0.702222 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Ba 10.00 137.32700 Ba( 1.00) Li 3.00 6.94100 Li( 1.00) Si 4.00 28.08550 Si( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7120253 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7120253 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7120253 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7120253 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] 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 [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0441177 -0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.1029412 -0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1617647 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1911765 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.2205882 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.3382353 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3676471 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3970588 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 0.0145846 -0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0291692 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0437538 -0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0583385 -0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0729231 -0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0875077 -0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.1020923 -0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1166769 -0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1312615 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1458462 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1604308 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1750154 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.1896000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2041846 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2187692 -0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2333538 -0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2479385 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.2625231 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.2771077 -0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.2916923 -0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.3062769 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.3208615 -0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.3354462 -0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.3500308 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.3646154 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.3792000 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.3792000 -0.0000000), wk = 0.0028736 k( 64) = ( 0.4852941 0.3792000 -0.0000000), wk = 0.0028736 k( 65) = ( 0.4705882 0.3792000 -0.0000000), wk = 0.0028736 k( 66) = ( 0.4558823 0.3792000 -0.0000000), wk = 0.0028736 k( 67) = ( 0.4411765 0.3792000 -0.0000000), wk = 0.0028736 k( 68) = ( 0.4264706 0.3792000 -0.0000000), wk = 0.0028736 k( 69) = ( 0.4117647 0.3792000 -0.0000000), wk = 0.0028736 k( 70) = ( 0.3970588 0.3792000 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3823529 0.3792000 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3676471 0.3792000 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3529412 0.3792000 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3382353 0.3792000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3235294 0.3792000 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3088235 0.3792000 -0.0000000), wk = 0.0028736 k( 77) = ( 0.2941177 0.3792000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.2794118 0.3792000 -0.0000000), wk = 0.0028736 k( 79) = ( 0.2647059 0.3792000 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2500000 0.3792000 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2352941 0.3792000 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2205882 0.3792000 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2058823 0.3792000 -0.0000000), wk = 0.0028736 k( 84) = ( 0.1911765 0.3792000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.1764706 0.3792000 -0.0000000), wk = 0.0028736 k( 86) = ( 0.1617647 0.3792000 -0.0000000), wk = 0.0028736 k( 87) = ( 0.1470588 0.3792000 -0.0000000), wk = 0.0028736 k( 88) = ( 0.1323529 0.3792000 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1176471 0.3792000 -0.0000000), wk = 0.0028736 k( 90) = ( 0.1029412 0.3792000 -0.0000000), wk = 0.0028736 k( 91) = ( 0.0882353 0.3792000 -0.0000000), wk = 0.0028736 k( 92) = ( 0.0735294 0.3792000 -0.0000000), wk = 0.0028736 k( 93) = ( 0.0588235 0.3792000 -0.0000000), wk = 0.0028736 k( 94) = ( 0.0441177 0.3792000 -0.0000000), wk = 0.0028736 k( 95) = ( 0.0294118 0.3792000 -0.0000000), wk = 0.0028736 k( 96) = ( 0.0147059 0.3792000 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0000000 0.3792000 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0000000 0.3792000 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0000000 0.3646154 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0000000 0.3500308 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.3354462 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.3208615 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.3062769 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.2916923 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.2771077 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.2625231 -0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.2479385 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.2333538 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.2187692 -0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.2041846 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.1896000 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.1750154 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.1604308 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.1458462 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.1312615 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.1166769 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.1020923 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.0875077 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.0729231 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.0583385 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.0437538 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.0291692 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.0145846 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0146296), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0292593), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0438889), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0585185), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0731482), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0877778), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.1024074), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.1170370), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.1316667), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1462963), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1609259), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1755556), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1901852), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.2048148), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.2194444), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.2340741), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2487037), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2633333), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2779630), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2925926), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.3072222), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3218518), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3364815), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3511111), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3511111), wk = 0.0028736 k( 151) = ( 0.0147059 -0.0000000 0.3511111), wk = 0.0028736 k( 152) = ( 0.0294118 -0.0000000 0.3511111), wk = 0.0028736 k( 153) = ( 0.0441177 -0.0000000 0.3511111), wk = 0.0028736 k( 154) = ( 0.0588235 -0.0000000 0.3511111), wk = 0.0028736 k( 155) = ( 0.0735294 -0.0000000 0.3511111), wk = 0.0028736 k( 156) = ( 0.0882353 -0.0000000 0.3511111), wk = 0.0028736 k( 157) = ( 0.1029412 -0.0000000 0.3511111), wk = 0.0028736 k( 158) = ( 0.1176471 -0.0000000 0.3511111), wk = 0.0028736 k( 159) = ( 0.1323529 -0.0000000 0.3511111), wk = 0.0028736 k( 160) = ( 0.1470588 -0.0000000 0.3511111), wk = 0.0028736 k( 161) = ( 0.1617647 -0.0000000 0.3511111), wk = 0.0028736 k( 162) = ( 0.1764706 -0.0000000 0.3511111), wk = 0.0028736 k( 163) = ( 0.1911765 -0.0000000 0.3511111), wk = 0.0028736 k( 164) = ( 0.2058823 -0.0000000 0.3511111), wk = 0.0028736 k( 165) = ( 0.2205882 -0.0000000 0.3511111), wk = 0.0028736 k( 166) = ( 0.2352941 -0.0000000 0.3511111), wk = 0.0028736 k( 167) = ( 0.2500000 -0.0000000 0.3511111), wk = 0.0028736 k( 168) = ( 0.2647059 -0.0000000 0.3511111), wk = 0.0028736 k( 169) = ( 0.2794118 -0.0000000 0.3511111), wk = 0.0028736 k( 170) = ( 0.2941177 -0.0000000 0.3511111), wk = 0.0028736 k( 171) = ( 0.3088235 -0.0000000 0.3511111), wk = 0.0028736 k( 172) = ( 0.3235294 -0.0000000 0.3511111), wk = 0.0028736 k( 173) = ( 0.3382353 -0.0000000 0.3511111), wk = 0.0028736 k( 174) = ( 0.3529412 -0.0000000 0.3511111), wk = 0.0028736 k( 175) = ( 0.3676471 -0.0000000 0.3511111), wk = 0.0028736 k( 176) = ( 0.3823529 -0.0000000 0.3511111), wk = 0.0028736 k( 177) = ( 0.3970588 -0.0000000 0.3511111), wk = 0.0028736 k( 178) = ( 0.4117647 -0.0000000 0.3511111), wk = 0.0028736 k( 179) = ( 0.4264706 -0.0000000 0.3511111), wk = 0.0028736 k( 180) = ( 0.4411765 -0.0000000 0.3511111), wk = 0.0028736 k( 181) = ( 0.4558823 -0.0000000 0.3511111), wk = 0.0028736 k( 182) = ( 0.4705882 -0.0000000 0.3511111), wk = 0.0028736 k( 183) = ( 0.4852941 -0.0000000 0.3511111), wk = 0.0028736 k( 184) = ( 0.5000000 -0.0000000 0.3511111), wk = 0.0028736 k( 185) = ( 0.5000000 -0.0000000 0.3511111), wk = 0.0028736 k( 186) = ( 0.5000000 0.0145846 0.3511111), wk = 0.0028736 k( 187) = ( 0.5000000 0.0291692 0.3511111), wk = 0.0028736 k( 188) = ( 0.5000000 0.0437538 0.3511111), wk = 0.0028736 k( 189) = ( 0.5000000 0.0583385 0.3511111), wk = 0.0028736 k( 190) = ( 0.5000000 0.0729231 0.3511111), wk = 0.0028736 k( 191) = ( 0.5000000 0.0875077 0.3511111), wk = 0.0028736 k( 192) = ( 0.5000000 0.1020923 0.3511111), wk = 0.0028736 k( 193) = ( 0.5000000 0.1166769 0.3511111), wk = 0.0028736 k( 194) = ( 0.5000000 0.1312615 0.3511111), wk = 0.0028736 k( 195) = ( 0.5000000 0.1458462 0.3511111), wk = 0.0028736 k( 196) = ( 0.5000000 0.1604308 0.3511111), wk = 0.0028736 k( 197) = ( 0.5000000 0.1750154 0.3511111), wk = 0.0028736 k( 198) = ( 0.5000000 0.1896000 0.3511111), wk = 0.0028736 k( 199) = ( 0.5000000 0.2041846 0.3511111), wk = 0.0028736 k( 200) = ( 0.5000000 0.2187692 0.3511111), wk = 0.0028736 k( 201) = ( 0.5000000 0.2333538 0.3511111), wk = 0.0028736 k( 202) = ( 0.5000000 0.2479385 0.3511111), wk = 0.0028736 k( 203) = ( 0.5000000 0.2625231 0.3511111), wk = 0.0028736 k( 204) = ( 0.5000000 0.2771077 0.3511111), wk = 0.0028736 k( 205) = ( 0.5000000 0.2916923 0.3511111), wk = 0.0028736 k( 206) = ( 0.5000000 0.3062769 0.3511111), wk = 0.0028736 k( 207) = ( 0.5000000 0.3208615 0.3511111), wk = 0.0028736 k( 208) = ( 0.5000000 0.3354462 0.3511111), wk = 0.0028736 k( 209) = ( 0.5000000 0.3500308 0.3511111), wk = 0.0028736 k( 210) = ( 0.5000000 0.3646154 0.3511111), wk = 0.0028736 k( 211) = ( 0.5000000 0.3792000 0.3511111), wk = 0.0028736 k( 212) = ( 0.5000000 0.3792000 0.3511111), wk = 0.0028736 k( 213) = ( 0.4852941 0.3792000 0.3511111), wk = 0.0028736 k( 214) = ( 0.4705882 0.3792000 0.3511111), wk = 0.0028736 k( 215) = ( 0.4558823 0.3792000 0.3511111), wk = 0.0028736 k( 216) = ( 0.4411765 0.3792000 0.3511111), wk = 0.0028736 k( 217) = ( 0.4264706 0.3792000 0.3511111), wk = 0.0028736 k( 218) = ( 0.4117647 0.3792000 0.3511111), wk = 0.0028736 k( 219) = ( 0.3970588 0.3792000 0.3511111), wk = 0.0028736 k( 220) = ( 0.3823529 0.3792000 0.3511111), wk = 0.0028736 k( 221) = ( 0.3676471 0.3792000 0.3511111), wk = 0.0028736 k( 222) = ( 0.3529412 0.3792000 0.3511111), wk = 0.0028736 k( 223) = ( 0.3382353 0.3792000 0.3511111), wk = 0.0028736 k( 224) = ( 0.3235294 0.3792000 0.3511111), wk = 0.0028736 k( 225) = ( 0.3088235 0.3792000 0.3511111), wk = 0.0028736 k( 226) = ( 0.2941177 0.3792000 0.3511111), wk = 0.0028736 k( 227) = ( 0.2794118 0.3792000 0.3511111), wk = 0.0028736 k( 228) = ( 0.2647059 0.3792000 0.3511111), wk = 0.0028736 k( 229) = ( 0.2500000 0.3792000 0.3511111), wk = 0.0028736 k( 230) = ( 0.2352941 0.3792000 0.3511111), wk = 0.0028736 k( 231) = ( 0.2205882 0.3792000 0.3511111), wk = 0.0028736 k( 232) = ( 0.2058823 0.3792000 0.3511111), wk = 0.0028736 k( 233) = ( 0.1911765 0.3792000 0.3511111), wk = 0.0028736 k( 234) = ( 0.1764706 0.3792000 0.3511111), wk = 0.0028736 k( 235) = ( 0.1617647 0.3792000 0.3511111), wk = 0.0028736 k( 236) = ( 0.1470588 0.3792000 0.3511111), wk = 0.0028736 k( 237) = ( 0.1323529 0.3792000 0.3511111), wk = 0.0028736 k( 238) = ( 0.1176471 0.3792000 0.3511111), wk = 0.0028736 k( 239) = ( 0.1029412 0.3792000 0.3511111), wk = 0.0028736 k( 240) = ( 0.0882353 0.3792000 0.3511111), wk = 0.0028736 k( 241) = ( 0.0735294 0.3792000 0.3511111), wk = 0.0028736 k( 242) = ( 0.0588235 0.3792000 0.3511111), wk = 0.0028736 k( 243) = ( 0.0441177 0.3792000 0.3511111), wk = 0.0028736 k( 244) = ( 0.0294118 0.3792000 0.3511111), wk = 0.0028736 k( 245) = ( 0.0147059 0.3792000 0.3511111), wk = 0.0028736 k( 246) = ( 0.0000000 0.3792000 0.3511111), wk = 0.0028736 k( 247) = ( 0.0000000 0.3792000 0.3511111), wk = 0.0028736 k( 248) = ( 0.0000000 0.3646154 0.3511111), wk = 0.0028736 k( 249) = ( 0.0000000 0.3500308 0.3511111), wk = 0.0028736 k( 250) = ( 0.0000000 0.3354462 0.3511111), wk = 0.0028736 k( 251) = ( 0.0000000 0.3208615 0.3511111), wk = 0.0028736 k( 252) = ( 0.0000000 0.3062769 0.3511111), wk = 0.0028736 k( 253) = ( 0.0000000 0.2916923 0.3511111), wk = 0.0028736 k( 254) = ( 0.0000000 0.2771077 0.3511111), wk = 0.0028736 k( 255) = ( 0.0000000 0.2625231 0.3511111), wk = 0.0028736 k( 256) = ( 0.0000000 0.2479385 0.3511111), wk = 0.0028736 k( 257) = ( 0.0000000 0.2333538 0.3511111), wk = 0.0028736 k( 258) = ( 0.0000000 0.2187692 0.3511111), wk = 0.0028736 k( 259) = ( 0.0000000 0.2041846 0.3511111), wk = 0.0028736 k( 260) = ( 0.0000000 0.1896000 0.3511111), wk = 0.0028736 k( 261) = ( 0.0000000 0.1750154 0.3511111), wk = 0.0028736 k( 262) = ( 0.0000000 0.1604308 0.3511111), wk = 0.0028736 k( 263) = ( 0.0000000 0.1458462 0.3511111), wk = 0.0028736 k( 264) = ( 0.0000000 0.1312615 0.3511111), wk = 0.0028736 k( 265) = ( 0.0000000 0.1166769 0.3511111), wk = 0.0028736 k( 266) = ( 0.0000000 0.1020923 0.3511111), wk = 0.0028736 k( 267) = ( 0.0000000 0.0875077 0.3511111), wk = 0.0028736 k( 268) = ( 0.0000000 0.0729231 0.3511111), wk = 0.0028736 k( 269) = ( 0.0000000 0.0583385 0.3511111), wk = 0.0028736 k( 270) = ( 0.0000000 0.0437538 0.3511111), wk = 0.0028736 k( 271) = ( 0.0000000 0.0291692 0.3511111), wk = 0.0028736 k( 272) = ( 0.0000000 0.0145846 0.3511111), wk = 0.0028736 k( 273) = ( 0.0000000 0.0000000 0.3511111), wk = 0.0028736 k( 274) = ( 0.0000000 0.3792000 -0.0000000), wk = 0.0028736 k( 275) = ( 0.0000000 0.3792000 0.0146296), wk = 0.0028736 k( 276) = ( 0.0000000 0.3792000 0.0292593), wk = 0.0028736 k( 277) = ( 0.0000000 0.3792000 0.0438889), wk = 0.0028736 k( 278) = ( 0.0000000 0.3792000 0.0585185), wk = 0.0028736 k( 279) = ( 0.0000000 0.3792000 0.0731482), wk = 0.0028736 k( 280) = ( 0.0000000 0.3792000 0.0877778), wk = 0.0028736 k( 281) = ( 0.0000000 0.3792000 0.1024074), wk = 0.0028736 k( 282) = ( 0.0000000 0.3792000 0.1170370), wk = 0.0028736 k( 283) = ( 0.0000000 0.3792000 0.1316667), wk = 0.0028736 k( 284) = ( 0.0000000 0.3792000 0.1462963), wk = 0.0028736 k( 285) = ( 0.0000000 0.3792000 0.1609259), wk = 0.0028736 k( 286) = ( 0.0000000 0.3792000 0.1755556), wk = 0.0028736 k( 287) = ( 0.0000000 0.3792000 0.1901852), wk = 0.0028736 k( 288) = ( 0.0000000 0.3792000 0.2048148), wk = 0.0028736 k( 289) = ( 0.0000000 0.3792000 0.2194444), wk = 0.0028736 k( 290) = ( 0.0000000 0.3792000 0.2340741), wk = 0.0028736 k( 291) = ( 0.0000000 0.3792000 0.2487037), wk = 0.0028736 k( 292) = ( 0.0000000 0.3792000 0.2633333), wk = 0.0028736 k( 293) = ( 0.0000000 0.3792000 0.2779630), wk = 0.0028736 k( 294) = ( 0.0000000 0.3792000 0.2925926), wk = 0.0028736 k( 295) = ( 0.0000000 0.3792000 0.3072222), wk = 0.0028736 k( 296) = ( 0.0000000 0.3792000 0.3218518), wk = 0.0028736 k( 297) = ( 0.0000000 0.3792000 0.3364815), wk = 0.0028736 k( 298) = ( 0.0000000 0.3792000 0.3511111), wk = 0.0028736 k( 299) = ( 0.5000000 -0.0000000 0.3511111), wk = 0.0028736 k( 300) = ( 0.5000000 -0.0000000 0.3364815), wk = 0.0028736 k( 301) = ( 0.5000000 -0.0000000 0.3218518), wk = 0.0028736 k( 302) = ( 0.5000000 -0.0000000 0.3072222), wk = 0.0028736 k( 303) = ( 0.5000000 -0.0000000 0.2925926), wk = 0.0028736 k( 304) = ( 0.5000000 -0.0000000 0.2779630), wk = 0.0028736 k( 305) = ( 0.5000000 -0.0000000 0.2633333), wk = 0.0028736 k( 306) = ( 0.5000000 -0.0000000 0.2487037), wk = 0.0028736 k( 307) = ( 0.5000000 -0.0000000 0.2340741), wk = 0.0028736 k( 308) = ( 0.5000000 -0.0000000 0.2194444), wk = 0.0028736 k( 309) = ( 0.5000000 -0.0000000 0.2048148), wk = 0.0028736 k( 310) = ( 0.5000000 -0.0000000 0.1901852), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.1755556), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 0.1609259), wk = 0.0028736 k( 313) = ( 0.5000000 -0.0000000 0.1462963), wk = 0.0028736 k( 314) = ( 0.5000000 -0.0000000 0.1316667), wk = 0.0028736 k( 315) = ( 0.5000000 -0.0000000 0.1170370), wk = 0.0028736 k( 316) = ( 0.5000000 -0.0000000 0.1024074), wk = 0.0028736 k( 317) = ( 0.5000000 -0.0000000 0.0877778), wk = 0.0028736 k( 318) = ( 0.5000000 -0.0000000 0.0731482), wk = 0.0028736 k( 319) = ( 0.5000000 -0.0000000 0.0585185), wk = 0.0028736 k( 320) = ( 0.5000000 -0.0000000 0.0438889), wk = 0.0028736 k( 321) = ( 0.5000000 -0.0000000 0.0292593), wk = 0.0028736 k( 322) = ( 0.5000000 -0.0000000 0.0146296), wk = 0.0028736 k( 323) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 324) = ( 0.5000000 0.3792000 -0.0000000), wk = 0.0028736 k( 325) = ( 0.5000000 0.3792000 0.0146296), wk = 0.0028736 k( 326) = ( 0.5000000 0.3792000 0.0292593), wk = 0.0028736 k( 327) = ( 0.5000000 0.3792000 0.0438889), wk = 0.0028736 k( 328) = ( 0.5000000 0.3792000 0.0585185), wk = 0.0028736 k( 329) = ( 0.5000000 0.3792000 0.0731482), wk = 0.0028736 k( 330) = ( 0.5000000 0.3792000 0.0877778), wk = 0.0028736 k( 331) = ( 0.5000000 0.3792000 0.1024074), wk = 0.0028736 k( 332) = ( 0.5000000 0.3792000 0.1170370), wk = 0.0028736 k( 333) = ( 0.5000000 0.3792000 0.1316667), wk = 0.0028736 k( 334) = ( 0.5000000 0.3792000 0.1462963), wk = 0.0028736 k( 335) = ( 0.5000000 0.3792000 0.1609259), wk = 0.0028736 k( 336) = ( 0.5000000 0.3792000 0.1755556), wk = 0.0028736 k( 337) = ( 0.5000000 0.3792000 0.1901852), wk = 0.0028736 k( 338) = ( 0.5000000 0.3792000 0.2048148), wk = 0.0028736 k( 339) = ( 0.5000000 0.3792000 0.2194444), wk = 0.0028736 k( 340) = ( 0.5000000 0.3792000 0.2340741), wk = 0.0028736 k( 341) = ( 0.5000000 0.3792000 0.2487037), wk = 0.0028736 k( 342) = ( 0.5000000 0.3792000 0.2633333), wk = 0.0028736 k( 343) = ( 0.5000000 0.3792000 0.2779630), wk = 0.0028736 k( 344) = ( 0.5000000 0.3792000 0.2925926), wk = 0.0028736 k( 345) = ( 0.5000000 0.3792000 0.3072222), wk = 0.0028736 k( 346) = ( 0.5000000 0.3792000 0.3218518), wk = 0.0028736 k( 347) = ( 0.5000000 0.3792000 0.3364815), wk = 0.0028736 k( 348) = ( 0.5000000 0.3792000 0.3511111), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0147059 -0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0735294 0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.2205882 0.0000000 0.0000000), wk = 0.0028736 k( 17) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0028736 k( 18) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2794118 0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.3088235 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.3382353 -0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3676471 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.3970588 0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.4264706 0.0000000 0.0000000), wk = 0.0028736 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0028736 k( 32) = ( 0.4558823 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.4852941 0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 0.0192308 0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0384615 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0576923 0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0961538 0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.1346154 -0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1730769 0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.2115385 0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.2307692 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2884615 0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.3269231 0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.3653846 0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.4038462 0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.4807692 0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 64) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0028736 k( 65) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0028736 k( 66) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0028736 k( 67) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0028736 k( 68) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0028736 k( 69) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0028736 k( 70) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0028736 k( 71) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0028736 k( 73) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0028736 k( 76) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0028736 k( 77) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0028736 k( 79) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0028736 k( 80) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028736 k( 81) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0028736 k( 82) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0028736 k( 83) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0028736 k( 84) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0028736 k( 86) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0028736 k( 87) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0028736 k( 88) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0028736 k( 89) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0028736 k( 90) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0028736 k( 91) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0028736 k( 92) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0028736 k( 93) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0028736 k( 94) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0028736 k( 95) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0028736 k( 96) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 99) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0028736 k( 100) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.0961538 0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 151) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0028736 k( 152) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0028736 k( 153) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0028736 k( 154) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0028736 k( 155) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0028736 k( 156) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0028736 k( 157) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0028736 k( 158) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.4852941 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0028736 k( 187) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0028736 k( 188) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0028736 k( 189) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0028736 k( 190) = ( 0.5000000 0.0961538 0.5000000), wk = 0.0028736 k( 191) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0028736 k( 192) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0028736 k( 193) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0028736 k( 194) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0028736 k( 195) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0028736 k( 196) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0028736 k( 197) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0028736 k( 198) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028736 k( 199) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0028736 k( 200) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0028736 k( 201) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0028736 k( 202) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0028736 k( 203) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0028736 k( 206) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0028736 k( 207) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0028736 k( 208) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0028736 k( 209) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0028736 k( 210) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0028736 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 213) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0028736 k( 214) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0028736 k( 215) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0028736 k( 216) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0028736 k( 217) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0028736 k( 218) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0028736 k( 219) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0028736 k( 220) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0028736 k( 221) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0028736 k( 222) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0028736 k( 223) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0028736 k( 224) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0028736 k( 225) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0028736 k( 226) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0028736 k( 227) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0028736 k( 228) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0028736 k( 229) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028736 k( 230) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0028736 k( 231) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0028736 k( 232) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0028736 k( 233) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0028736 k( 234) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0028736 k( 235) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0028736 k( 236) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0028736 k( 237) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0028736 k( 238) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0028736 k( 239) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0028736 k( 240) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0028736 k( 241) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0028736 k( 242) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0028736 k( 243) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0028736 k( 244) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0028736 k( 245) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0028736 k( 246) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 247) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 248) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0028736 k( 249) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0028736 k( 250) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0028736 k( 251) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0028736 k( 252) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0028736 k( 253) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0028736 k( 254) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0028736 k( 255) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0028736 k( 256) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0028736 k( 257) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0028736 k( 259) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0028736 k( 260) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028736 k( 261) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0028736 k( 262) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0028736 k( 263) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0028736 k( 264) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0028736 k( 265) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0028736 k( 266) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0028736 k( 267) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0028736 k( 268) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0028736 k( 269) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0028736 k( 270) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0028736 k( 271) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0028736 k( 272) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0028736 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 275) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0028736 k( 276) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0028736 k( 277) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028736 k( 278) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028736 k( 279) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0028736 k( 280) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028736 k( 281) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0028736 k( 282) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 283) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028736 k( 284) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0028736 k( 285) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0028736 k( 286) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028736 k( 287) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0028736 k( 288) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0028736 k( 289) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028736 k( 290) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 291) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0028736 k( 319) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028736 k( 320) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0028736 k( 321) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0028736 k( 322) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0028736 k( 323) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 324) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 325) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0028736 k( 326) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 190539 G-vectors FFT dimensions: ( 60, 80, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.99 Mb ( 1348, 48) NL pseudopotentials 2.00 Mb ( 674, 194) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5294) G-vector shells 0.02 Mb ( 2639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.95 Mb ( 1348, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.28 Mb ( 194, 2, 48) The potential is recalculated from file : ./BaLi2Si.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.6 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.9 secs Computing kpt #: 9 total cpu time spent up to now is 16.6 secs Computing kpt #: 10 total cpu time spent up to now is 18.8 secs Computing kpt #: 11 total cpu time spent up to now is 20.4 secs Computing kpt #: 12 total cpu time spent up to now is 22.0 secs Computing kpt #: 13 total cpu time spent up to now is 23.7 secs Computing kpt #: 14 total cpu time spent up to now is 25.3 secs Computing kpt #: 15 total cpu time spent up to now is 26.7 secs Computing kpt #: 16 total cpu time spent up to now is 28.1 secs Computing kpt #: 17 total cpu time spent up to now is 29.6 secs Computing kpt #: 18 total cpu time spent up to now is 31.0 secs Computing kpt #: 19 total cpu time spent up to now is 32.4 secs Computing kpt #: 20 total cpu time spent up to now is 33.8 secs Computing kpt #: 21 total cpu time spent up to now is 35.2 secs Computing kpt #: 22 total cpu time spent up to now is 36.6 secs Computing kpt #: 23 total cpu time spent up to now is 37.9 secs Computing kpt #: 24 total cpu time spent up to now is 39.3 secs Computing kpt #: 25 total cpu time spent up to now is 40.7 secs Computing kpt #: 26 total cpu time spent up to now is 42.0 secs Computing kpt #: 27 total cpu time spent up to now is 43.4 secs Computing kpt #: 28 total cpu time spent up to now is 44.8 secs Computing kpt #: 29 total cpu time spent up to now is 46.1 secs Computing kpt #: 30 total cpu time spent up to now is 47.5 secs Computing kpt #: 31 total cpu time spent up to now is 48.8 secs Computing kpt #: 32 total cpu time spent up to now is 50.2 secs Computing kpt #: 33 total cpu time spent up to now is 51.5 secs Computing kpt #: 34 total cpu time spent up to now is 52.8 secs Computing kpt #: 35 total cpu time spent up to now is 54.0 secs Computing kpt #: 36 total cpu time spent up to now is 55.3 secs Computing kpt #: 37 total cpu time spent up to now is 56.6 secs Computing kpt #: 38 total cpu time spent up to now is 57.9 secs Computing kpt #: 39 total cpu time spent up to now is 59.1 secs Computing kpt #: 40 total cpu time spent up to now is 60.4 secs Computing kpt #: 41 total cpu time spent up to now is 61.7 secs Computing kpt #: 42 total cpu time spent up to now is 63.0 secs Computing kpt #: 43 total cpu time spent up to now is 64.3 secs Computing kpt #: 44 total cpu time spent up to now is 65.6 secs Computing kpt #: 45 total cpu time spent up to now is 66.9 secs Computing kpt #: 46 total cpu time spent up to now is 68.3 secs Computing kpt #: 47 total cpu time spent up to now is 69.6 secs Computing kpt #: 48 total cpu time spent up to now is 70.9 secs Computing kpt #: 49 total cpu time spent up to now is 72.3 secs Computing kpt #: 50 total cpu time spent up to now is 73.6 secs Computing kpt #: 51 total cpu time spent up to now is 74.9 secs Computing kpt #: 52 total cpu time spent up to now is 76.3 secs Computing kpt #: 53 total cpu time spent up to now is 77.6 secs Computing kpt #: 54 total cpu time spent up to now is 79.0 secs Computing kpt #: 55 total cpu time spent up to now is 80.4 secs Computing kpt #: 56 total cpu time spent up to now is 81.7 secs Computing kpt #: 57 total cpu time spent up to now is 83.0 secs Computing kpt #: 58 total cpu time spent up to now is 84.4 secs Computing kpt #: 59 total cpu time spent up to now is 85.7 secs Computing kpt #: 60 total cpu time spent up to now is 87.0 secs Computing kpt #: 61 total cpu time spent up to now is 88.3 secs Computing kpt #: 62 total cpu time spent up to now is 89.7 secs Computing kpt #: 63 total cpu time spent up to now is 91.0 secs Computing kpt #: 64 total cpu time spent up to now is 92.3 secs Computing kpt #: 65 total cpu time spent up to now is 93.6 secs Computing kpt #: 66 total cpu time spent up to now is 95.0 secs Computing kpt #: 67 total cpu time spent up to now is 96.3 secs Computing kpt #: 68 total cpu time spent up to now is 97.7 secs Computing kpt #: 69 total cpu time spent up to now is 99.0 secs Computing kpt #: 70 total cpu time spent up to now is 100.4 secs Computing kpt #: 71 total cpu time spent up to now is 101.8 secs Computing kpt #: 72 total cpu time spent up to now is 103.2 secs Computing kpt #: 73 total cpu time spent up to now is 104.6 secs Computing kpt #: 74 total cpu time spent up to now is 106.0 secs Computing kpt #: 75 total cpu time spent up to now is 107.4 secs Computing kpt #: 76 total cpu time spent up to now is 108.8 secs Computing kpt #: 77 total cpu time spent up to now is 110.2 secs Computing kpt #: 78 total cpu time spent up to now is 111.6 secs Computing kpt #: 79 total cpu time spent up to now is 112.9 secs Computing kpt #: 80 total cpu time spent up to now is 114.3 secs Computing kpt #: 81 total cpu time spent up to now is 115.7 secs Computing kpt #: 82 total cpu time spent up to now is 117.1 secs Computing kpt #: 83 total cpu time spent up to now is 118.6 secs Computing kpt #: 84 total cpu time spent up to now is 120.0 secs Computing kpt #: 85 total cpu time spent up to now is 121.6 secs Computing kpt #: 86 total cpu time spent up to now is 123.3 secs Computing kpt #: 87 total cpu time spent up to now is 124.9 secs Computing kpt #: 88 total cpu time spent up to now is 126.5 secs Computing kpt #: 89 total cpu time spent up to now is 128.2 secs Computing kpt #: 90 total cpu time spent up to now is 129.9 secs Computing kpt #: 91 total cpu time spent up to now is 131.5 secs Computing kpt #: 92 total cpu time spent up to now is 133.2 secs Computing kpt #: 93 total cpu time spent up to now is 134.8 secs Computing kpt #: 94 total cpu time spent up to now is 136.5 secs Computing kpt #: 95 total cpu time spent up to now is 138.2 secs Computing kpt #: 96 total cpu time spent up to now is 140.0 secs Computing kpt #: 97 total cpu time spent up to now is 141.7 secs Computing kpt #: 98 total cpu time spent up to now is 143.4 secs Computing kpt #: 99 total cpu time spent up to now is 145.1 secs Computing kpt #: 100 total cpu time spent up to now is 146.8 secs Computing kpt #: 101 total cpu time spent up to now is 148.6 secs Computing kpt #: 102 total cpu time spent up to now is 150.3 secs Computing kpt #: 103 total cpu time spent up to now is 152.1 secs Computing kpt #: 104 total cpu time spent up to now is 153.8 secs Computing kpt #: 105 total cpu time spent up to now is 155.5 secs Computing kpt #: 106 total cpu time spent up to now is 157.2 secs Computing kpt #: 107 total cpu time spent up to now is 158.9 secs Computing kpt #: 108 total cpu time spent up to now is 160.6 secs Computing kpt #: 109 total cpu time spent up to now is 162.3 secs Computing kpt #: 110 total cpu time spent up to now is 164.0 secs Computing kpt #: 111 total cpu time spent up to now is 165.7 secs Computing kpt #: 112 total cpu time spent up to now is 167.4 secs Computing kpt #: 113 total cpu time spent up to now is 169.0 secs Computing kpt #: 114 total cpu time spent up to now is 170.7 secs Computing kpt #: 115 total cpu time spent up to now is 172.3 secs Computing kpt #: 116 total cpu time spent up to now is 173.7 secs Computing kpt #: 117 total cpu time spent up to now is 175.3 secs Computing kpt #: 118 total cpu time spent up to now is 176.7 secs Computing kpt #: 119 total cpu time spent up to now is 178.2 secs Computing kpt #: 120 total cpu time spent up to now is 179.6 secs Computing kpt #: 121 total cpu time spent up to now is 181.0 secs Computing kpt #: 122 total cpu time spent up to now is 182.4 secs Computing kpt #: 123 total cpu time spent up to now is 183.9 secs Computing kpt #: 124 total cpu time spent up to now is 185.3 secs Computing kpt #: 125 total cpu time spent up to now is 186.7 secs Computing kpt #: 126 total cpu time spent up to now is 188.1 secs Computing kpt #: 127 total cpu time spent up to now is 189.5 secs Computing kpt #: 128 total cpu time spent up to now is 191.1 secs Computing kpt #: 129 total cpu time spent up to now is 192.8 secs Computing kpt #: 130 total cpu time spent up to now is 194.4 secs Computing kpt #: 131 total cpu time spent up to now is 196.1 secs Computing kpt #: 132 total cpu time spent up to now is 197.7 secs Computing kpt #: 133 total cpu time spent up to now is 199.4 secs Computing kpt #: 134 total cpu time spent up to now is 201.0 secs Computing kpt #: 135 total cpu time spent up to now is 202.4 secs Computing kpt #: 136 total cpu time spent up to now is 204.0 secs Computing kpt #: 137 total cpu time spent up to now is 205.7 secs Computing kpt #: 138 total cpu time spent up to now is 207.4 secs Computing kpt #: 139 total cpu time spent up to now is 209.1 secs Computing kpt #: 140 total cpu time spent up to now is 210.7 secs Computing kpt #: 141 total cpu time spent up to now is 212.3 secs Computing kpt #: 142 total cpu time spent up to now is 214.0 secs Computing kpt #: 143 total cpu time spent up to now is 215.8 secs Computing kpt #: 144 total cpu time spent up to now is 217.7 secs Computing kpt #: 145 total cpu time spent up to now is 219.5 secs Computing kpt #: 146 total cpu time spent up to now is 221.4 secs Computing kpt #: 147 total cpu time spent up to now is 223.1 secs Computing kpt #: 148 total cpu time spent up to now is 224.9 secs Computing kpt #: 149 total cpu time spent up to now is 226.8 secs Computing kpt #: 150 total cpu time spent up to now is 228.5 secs Computing kpt #: 151 total cpu time spent up to now is 230.1 secs Computing kpt #: 152 total cpu time spent up to now is 231.7 secs Computing kpt #: 153 total cpu time spent up to now is 233.4 secs Computing kpt #: 154 total cpu time spent up to now is 235.2 secs Computing kpt #: 155 total cpu time spent up to now is 237.0 secs Computing kpt #: 156 total cpu time spent up to now is 238.9 secs Computing kpt #: 157 total cpu time spent up to now is 240.6 secs Computing kpt #: 158 total cpu time spent up to now is 242.3 secs Computing kpt #: 159 total cpu time spent up to now is 244.0 secs Computing kpt #: 160 total cpu time spent up to now is 245.6 secs Computing kpt #: 161 total cpu time spent up to now is 247.0 secs Computing kpt #: 162 total cpu time spent up to now is 248.5 secs Computing kpt #: 163 total cpu time spent up to now is 249.9 secs Computing kpt #: 164 total cpu time spent up to now is 251.3 secs Computing kpt #: 165 total cpu time spent up to now is 252.7 secs Computing kpt #: 166 total cpu time spent up to now is 254.0 secs Computing kpt #: 167 total cpu time spent up to now is 255.4 secs Computing kpt #: 168 total cpu time spent up to now is 256.8 secs Computing kpt #: 169 total cpu time spent up to now is 258.1 secs Computing kpt #: 170 total cpu time spent up to now is 259.5 secs Computing kpt #: 171 total cpu time spent up to now is 260.8 secs Computing kpt #: 172 total cpu time spent up to now is 262.2 secs Computing kpt #: 173 total cpu time spent up to now is 263.5 secs Computing kpt #: 174 total cpu time spent up to now is 264.8 secs Computing kpt #: 175 total cpu time spent up to now is 266.2 secs Computing kpt #: 176 total cpu time spent up to now is 267.5 secs Computing kpt #: 177 total cpu time spent up to now is 268.8 secs Computing kpt #: 178 total cpu time spent up to now is 270.1 secs Computing kpt #: 179 total cpu time spent up to now is 271.5 secs Computing kpt #: 180 total cpu time spent up to now is 272.8 secs Computing kpt #: 181 total cpu time spent up to now is 274.0 secs Computing kpt #: 182 total cpu time spent up to now is 275.4 secs Computing kpt #: 183 total cpu time spent up to now is 276.7 secs Computing kpt #: 184 total cpu time spent up to now is 278.0 secs Computing kpt #: 185 total cpu time spent up to now is 279.3 secs Computing kpt #: 186 total cpu time spent up to now is 280.6 secs Computing kpt #: 187 total cpu time spent up to now is 281.9 secs Computing kpt #: 188 total cpu time spent up to now is 283.2 secs Computing kpt #: 189 total cpu time spent up to now is 284.4 secs Computing kpt #: 190 total cpu time spent up to now is 285.7 secs Computing kpt #: 191 total cpu time spent up to now is 287.0 secs Computing kpt #: 192 total cpu time spent up to now is 288.3 secs Computing kpt #: 193 total cpu time spent up to now is 289.6 secs Computing kpt #: 194 total cpu time spent up to now is 291.0 secs Computing kpt #: 195 total cpu time spent up to now is 292.3 secs Computing kpt #: 196 total cpu time spent up to now is 293.7 secs Computing kpt #: 197 total cpu time spent up to now is 295.0 secs Computing kpt #: 198 total cpu time spent up to now is 296.4 secs Computing kpt #: 199 total cpu time spent up to now is 297.7 secs Computing kpt #: 200 total cpu time spent up to now is 299.1 secs Computing kpt #: 201 total cpu time spent up to now is 300.5 secs Computing kpt #: 202 total cpu time spent up to now is 301.8 secs Computing kpt #: 203 total cpu time spent up to now is 303.2 secs Computing kpt #: 204 total cpu time spent up to now is 304.6 secs Computing kpt #: 205 total cpu time spent up to now is 306.0 secs Computing kpt #: 206 total cpu time spent up to now is 307.4 secs Computing kpt #: 207 total cpu time spent up to now is 308.9 secs Computing kpt #: 208 total cpu time spent up to now is 310.6 secs Computing kpt #: 209 total cpu time spent up to now is 312.3 secs Computing kpt #: 210 total cpu time spent up to now is 314.0 secs Computing kpt #: 211 total cpu time spent up to now is 315.7 secs Computing kpt #: 212 total cpu time spent up to now is 317.7 secs Computing kpt #: 213 total cpu time spent up to now is 319.6 secs Computing kpt #: 214 total cpu time spent up to now is 321.3 secs Computing kpt #: 215 total cpu time spent up to now is 323.1 secs Computing kpt #: 216 total cpu time spent up to now is 324.9 secs Computing kpt #: 217 total cpu time spent up to now is 326.8 secs Computing kpt #: 218 total cpu time spent up to now is 328.5 secs Computing kpt #: 219 total cpu time spent up to now is 330.2 secs Computing kpt #: 220 total cpu time spent up to now is 331.9 secs Computing kpt #: 221 total cpu time spent up to now is 333.6 secs Computing kpt #: 222 total cpu time spent up to now is 335.3 secs Computing kpt #: 223 total cpu time spent up to now is 337.0 secs Computing kpt #: 224 total cpu time spent up to now is 338.6 secs Computing kpt #: 225 total cpu time spent up to now is 340.3 secs Computing kpt #: 226 total cpu time spent up to now is 342.0 secs Computing kpt #: 227 total cpu time spent up to now is 343.6 secs Computing kpt #: 228 total cpu time spent up to now is 345.3 secs Computing kpt #: 229 total cpu time spent up to now is 346.9 secs Computing kpt #: 230 total cpu time spent up to now is 348.6 secs Computing kpt #: 231 total cpu time spent up to now is 350.2 secs Computing kpt #: 232 total cpu time spent up to now is 351.7 secs Computing kpt #: 233 total cpu time spent up to now is 353.1 secs Computing kpt #: 234 total cpu time spent up to now is 354.5 secs Computing kpt #: 235 total cpu time spent up to now is 355.9 secs Computing kpt #: 236 total cpu time spent up to now is 357.3 secs Computing kpt #: 237 total cpu time spent up to now is 358.7 secs Computing kpt #: 238 total cpu time spent up to now is 360.2 secs Computing kpt #: 239 total cpu time spent up to now is 361.6 secs Computing kpt #: 240 total cpu time spent up to now is 363.0 secs Computing kpt #: 241 total cpu time spent up to now is 364.6 secs Computing kpt #: 242 total cpu time spent up to now is 366.1 secs Computing kpt #: 243 total cpu time spent up to now is 367.5 secs Computing kpt #: 244 total cpu time spent up to now is 369.1 secs Computing kpt #: 245 total cpu time spent up to now is 370.6 secs Computing kpt #: 246 total cpu time spent up to now is 372.0 secs Computing kpt #: 247 total cpu time spent up to now is 373.6 secs Computing kpt #: 248 total cpu time spent up to now is 375.0 secs Computing kpt #: 249 total cpu time spent up to now is 376.7 secs Computing kpt #: 250 total cpu time spent up to now is 378.3 secs Computing kpt #: 251 total cpu time spent up to now is 379.7 secs Computing kpt #: 252 total cpu time spent up to now is 381.3 secs Computing kpt #: 253 total cpu time spent up to now is 383.0 secs Computing kpt #: 254 total cpu time spent up to now is 384.7 secs Computing kpt #: 255 total cpu time spent up to now is 386.4 secs Computing kpt #: 256 total cpu time spent up to now is 388.2 secs Computing kpt #: 257 total cpu time spent up to now is 389.9 secs Computing kpt #: 258 total cpu time spent up to now is 391.7 secs Computing kpt #: 259 total cpu time spent up to now is 393.4 secs Computing kpt #: 260 total cpu time spent up to now is 395.1 secs Computing kpt #: 261 total cpu time spent up to now is 396.9 secs Computing kpt #: 262 total cpu time spent up to now is 398.7 secs Computing kpt #: 263 total cpu time spent up to now is 400.5 secs Computing kpt #: 264 total cpu time spent up to now is 402.2 secs Computing kpt #: 265 total cpu time spent up to now is 404.0 secs Computing kpt #: 266 total cpu time spent up to now is 405.9 secs Computing kpt #: 267 total cpu time spent up to now is 407.5 secs Computing kpt #: 268 total cpu time spent up to now is 409.4 secs Computing kpt #: 269 total cpu time spent up to now is 411.2 secs Computing kpt #: 270 total cpu time spent up to now is 412.9 secs Computing kpt #: 271 total cpu time spent up to now is 414.7 secs Computing kpt #: 272 total cpu time spent up to now is 416.5 secs Computing kpt #: 273 total cpu time spent up to now is 418.2 secs Computing kpt #: 274 total cpu time spent up to now is 420.0 secs Computing kpt #: 275 total cpu time spent up to now is 421.7 secs Computing kpt #: 276 total cpu time spent up to now is 423.5 secs Computing kpt #: 277 total cpu time spent up to now is 425.3 secs Computing kpt #: 278 total cpu time spent up to now is 426.9 secs Computing kpt #: 279 total cpu time spent up to now is 428.7 secs Computing kpt #: 280 total cpu time spent up to now is 430.5 secs Computing kpt #: 281 total cpu time spent up to now is 432.3 secs Computing kpt #: 282 total cpu time spent up to now is 434.1 secs Computing kpt #: 283 total cpu time spent up to now is 436.0 secs Computing kpt #: 284 total cpu time spent up to now is 437.8 secs Computing kpt #: 285 total cpu time spent up to now is 439.6 secs Computing kpt #: 286 total cpu time spent up to now is 441.4 secs Computing kpt #: 287 total cpu time spent up to now is 443.1 secs Computing kpt #: 288 total cpu time spent up to now is 444.9 secs Computing kpt #: 289 total cpu time spent up to now is 446.6 secs Computing kpt #: 290 total cpu time spent up to now is 448.4 secs Computing kpt #: 291 total cpu time spent up to now is 450.2 secs Computing kpt #: 292 total cpu time spent up to now is 452.3 secs Computing kpt #: 293 total cpu time spent up to now is 454.4 secs Computing kpt #: 294 total cpu time spent up to now is 456.2 secs Computing kpt #: 295 total cpu time spent up to now is 457.6 secs Computing kpt #: 296 total cpu time spent up to now is 459.3 secs Computing kpt #: 297 total cpu time spent up to now is 460.7 secs Computing kpt #: 298 total cpu time spent up to now is 462.1 secs Computing kpt #: 299 total cpu time spent up to now is 463.4 secs Computing kpt #: 300 total cpu time spent up to now is 464.7 secs Computing kpt #: 301 total cpu time spent up to now is 466.0 secs Computing kpt #: 302 total cpu time spent up to now is 467.3 secs Computing kpt #: 303 total cpu time spent up to now is 468.6 secs Computing kpt #: 304 total cpu time spent up to now is 469.9 secs Computing kpt #: 305 total cpu time spent up to now is 471.3 secs Computing kpt #: 306 total cpu time spent up to now is 472.6 secs Computing kpt #: 307 total cpu time spent up to now is 473.9 secs Computing kpt #: 308 total cpu time spent up to now is 475.3 secs Computing kpt #: 309 total cpu time spent up to now is 476.6 secs Computing kpt #: 310 total cpu time spent up to now is 477.9 secs Computing kpt #: 311 total cpu time spent up to now is 479.3 secs Computing kpt #: 312 total cpu time spent up to now is 480.6 secs Computing kpt #: 313 total cpu time spent up to now is 481.9 secs Computing kpt #: 314 total cpu time spent up to now is 483.3 secs Computing kpt #: 315 total cpu time spent up to now is 484.6 secs Computing kpt #: 316 total cpu time spent up to now is 485.9 secs Computing kpt #: 317 total cpu time spent up to now is 487.2 secs Computing kpt #: 318 total cpu time spent up to now is 488.5 secs Computing kpt #: 319 total cpu time spent up to now is 489.8 secs Computing kpt #: 320 total cpu time spent up to now is 491.1 secs Computing kpt #: 321 total cpu time spent up to now is 492.4 secs Computing kpt #: 322 total cpu time spent up to now is 493.7 secs Computing kpt #: 323 total cpu time spent up to now is 494.9 secs Computing kpt #: 324 total cpu time spent up to now is 496.3 secs Computing kpt #: 325 total cpu time spent up to now is 497.6 secs Computing kpt #: 326 total cpu time spent up to now is 498.9 secs Computing kpt #: 327 total cpu time spent up to now is 500.3 secs Computing kpt #: 328 total cpu time spent up to now is 501.6 secs Computing kpt #: 329 total cpu time spent up to now is 502.9 secs Computing kpt #: 330 total cpu time spent up to now is 504.2 secs Computing kpt #: 331 total cpu time spent up to now is 505.6 secs Computing kpt #: 332 total cpu time spent up to now is 506.9 secs Computing kpt #: 333 total cpu time spent up to now is 508.2 secs Computing kpt #: 334 total cpu time spent up to now is 509.6 secs Computing kpt #: 335 total cpu time spent up to now is 510.9 secs Computing kpt #: 336 total cpu time spent up to now is 512.3 secs Computing kpt #: 337 total cpu time spent up to now is 513.6 secs Computing kpt #: 338 total cpu time spent up to now is 515.0 secs Computing kpt #: 339 total cpu time spent up to now is 516.3 secs Computing kpt #: 340 total cpu time spent up to now is 517.7 secs Computing kpt #: 341 total cpu time spent up to now is 519.1 secs Computing kpt #: 342 total cpu time spent up to now is 520.4 secs Computing kpt #: 343 total cpu time spent up to now is 521.9 secs Computing kpt #: 344 total cpu time spent up to now is 523.3 secs Computing kpt #: 345 total cpu time spent up to now is 524.9 secs Computing kpt #: 346 total cpu time spent up to now is 526.6 secs Computing kpt #: 347 total cpu time spent up to now is 528.4 secs Computing kpt #: 348 total cpu time spent up to now is 530.0 secs ethr = 2.50E-08, avg # of iterations = 20.9 total cpu time spent up to now is 530.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 23807 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3730 -9.3730 -9.2287 -9.2287 -7.4636 -7.4636 -7.3141 -7.3141 -7.2665 -7.2665 -7.1063 -7.1063 -1.4004 -1.4004 -0.8441 -0.8441 4.0393 4.0393 4.1312 4.1312 4.5426 4.5426 4.8010 4.8010 4.9672 4.9672 5.1925 5.1925 5.7733 5.7733 6.0073 6.0073 6.6674 6.6674 6.9437 6.9437 k = 0.0147-0.0000-0.0000 ( 23843 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6555 -22.6555 -22.6100 -22.6100 -9.3730 -9.3730 -9.2288 -9.2288 -7.4635 -7.4635 -7.3143 -7.3143 -7.2666 -7.2666 -7.1067 -7.1067 -1.3995 -1.3995 -0.8436 -0.8436 4.0400 4.0400 4.1315 4.1315 4.5429 4.5429 4.7979 4.7979 4.9621 4.9621 5.1942 5.1942 5.7473 5.7473 6.0280 6.0280 6.6636 6.6636 6.9522 6.9522 k = 0.0294-0.0000-0.0000 ( 23841 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6050 -40.6050 -40.6031 -40.6031 -22.6553 -22.6553 -22.6100 -22.6100 -9.3730 -9.3730 -9.2292 -9.2292 -7.4633 -7.4633 -7.3147 -7.3147 -7.2669 -7.2669 -7.1077 -7.1077 -1.3968 -1.3968 -0.8422 -0.8422 4.0421 4.0421 4.1326 4.1326 4.5435 4.5435 4.7883 4.7883 4.9477 4.9477 5.1993 5.1993 5.6867 5.6867 6.0731 6.0731 6.6520 6.6520 6.9772 6.9772 k = 0.0441-0.0000-0.0000 ( 23831 PWs) bands (ev): -40.6314 -40.6314 -40.6292 -40.6292 -40.6051 -40.6051 -40.6032 -40.6032 -22.6551 -22.6551 -22.6100 -22.6100 -9.3729 -9.3729 -9.2300 -9.2300 -7.4628 -7.4628 -7.3154 -7.3154 -7.2674 -7.2674 -7.1093 -7.1093 -1.3923 -1.3923 -0.8398 -0.8398 4.0454 4.0454 4.1344 4.1344 4.5444 4.5444 4.7701 4.7701 4.9266 4.9266 5.2084 5.2084 5.6110 5.6110 6.1226 6.1226 6.6333 6.6333 7.0173 7.0173 k = 0.0588-0.0000-0.0000 ( 23827 PWs) bands (ev): -40.6313 -40.6313 -40.6291 -40.6291 -40.6052 -40.6052 -40.6033 -40.6033 -22.6549 -22.6549 -22.6101 -22.6101 -9.3728 -9.3728 -9.2310 -9.2310 -7.4623 -7.4623 -7.3164 -7.3164 -7.2681 -7.2681 -7.1116 -7.1116 -1.3861 -1.3861 -0.8365 -0.8365 4.0497 4.0497 4.1369 4.1369 4.5458 4.5458 4.7413 4.7413 4.9025 4.9025 5.2217 5.2217 5.5286 5.5286 6.1683 6.1683 6.6081 6.6081 7.0705 7.0705 k = 0.0735-0.0000-0.0000 ( 23821 PWs) bands (ev): -40.6312 -40.6312 -40.6290 -40.6290 -40.6053 -40.6053 -40.6034 -40.6034 -22.6545 -22.6545 -22.6102 -22.6102 -9.3727 -9.3727 -9.2322 -9.2322 -7.4616 -7.4616 -7.3177 -7.3177 -7.2691 -7.2691 -7.1146 -7.1146 -1.3781 -1.3781 -0.8323 -0.8323 4.0549 4.0549 4.1400 4.1400 4.5475 4.5475 4.7004 4.7004 4.8784 4.8784 5.2398 5.2398 5.4431 5.4431 6.2069 6.2069 6.5772 6.5772 7.1340 7.1340 k = 0.0882-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6310 -40.6310 -40.6288 -40.6288 -40.6054 -40.6054 -40.6035 -40.6035 -22.6541 -22.6541 -22.6103 -22.6103 -9.3726 -9.3726 -9.2338 -9.2338 -7.4607 -7.4607 -7.3192 -7.3192 -7.2702 -7.2702 -7.1181 -7.1181 -1.3685 -1.3685 -0.8273 -0.8273 4.0607 4.0607 4.1436 4.1436 4.5493 4.5493 4.6483 4.6483 4.8552 4.8552 5.2629 5.2629 5.3566 5.3566 6.2370 6.2370 6.5415 6.5415 7.1977 7.1977 k = 0.1029-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6308 -40.6308 -40.6287 -40.6287 -40.6056 -40.6056 -40.6037 -40.6037 -22.6536 -22.6536 -22.6104 -22.6104 -9.3724 -9.3724 -9.2356 -9.2356 -7.4597 -7.4597 -7.3209 -7.3209 -7.2716 -7.2716 -7.1222 -7.1222 -1.3572 -1.3572 -0.8216 -0.8216 4.0665 4.0665 4.1477 4.1477 4.5505 4.5505 4.5881 4.5881 4.8323 4.8323 5.2674 5.2674 5.2943 5.2943 6.2586 6.2586 6.5020 6.5020 7.1940 7.1940 k = 0.1176-0.0000-0.0000 ( 23821 PWs) bands (ev): -40.6306 -40.6306 -40.6285 -40.6285 -40.6058 -40.6058 -40.6039 -40.6039 -22.6531 -22.6531 -22.6106 -22.6106 -9.3721 -9.3721 -9.2377 -9.2377 -7.4586 -7.4586 -7.3227 -7.3227 -7.2731 -7.2731 -7.1267 -7.1267 -1.3443 -1.3443 -0.8151 -0.8151 4.0721 4.0721 4.1520 4.1520 4.5169 4.5169 4.5564 4.5564 4.8090 4.8090 5.1836 5.1836 5.3271 5.3271 6.2725 6.2725 6.4597 6.4597 7.1575 7.1575 k = 0.1324-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6304 -40.6304 -40.6282 -40.6282 -40.6061 -40.6061 -40.6042 -40.6042 -22.6524 -22.6524 -22.6107 -22.6107 -9.3719 -9.3719 -9.2400 -9.2400 -7.4574 -7.4574 -7.3247 -7.3247 -7.2748 -7.2748 -7.1318 -7.1318 -1.3298 -1.3298 -0.8080 -0.8080 4.0769 4.0769 4.1563 4.1563 4.4460 4.4460 4.5580 4.5580 4.7846 4.7846 5.1004 5.1004 5.3668 5.3668 6.2796 6.2796 6.4155 6.4155 7.1152 7.1152 k = 0.1471-0.0000-0.0000 ( 23795 PWs) bands (ev): -40.6301 -40.6301 -40.6280 -40.6280 -40.6063 -40.6063 -40.6044 -40.6044 -22.6517 -22.6517 -22.6109 -22.6109 -9.3716 -9.3716 -9.2426 -9.2426 -7.4560 -7.4560 -7.3269 -7.3269 -7.2768 -7.2768 -7.1372 -7.1372 -1.3139 -1.3139 -0.8004 -0.8004 4.0800 4.0800 4.1604 4.1604 4.3719 4.3719 4.5605 4.5605 4.7592 4.7592 5.0203 5.0203 5.4119 5.4119 6.2815 6.2815 6.3704 6.3704 7.0694 7.0694 k = 0.1618-0.0000-0.0000 ( 23809 PWs) bands (ev): -40.6298 -40.6298 -40.6277 -40.6277 -40.6066 -40.6066 -40.6047 -40.6047 -22.6510 -22.6510 -22.6112 -22.6112 -9.3712 -9.3712 -9.2454 -9.2454 -7.4546 -7.4546 -7.3291 -7.3291 -7.2789 -7.2789 -7.1430 -7.1430 -1.2967 -1.2967 -0.7923 -0.7923 4.0805 4.0805 4.1641 4.1641 4.2968 4.2968 4.5631 4.5631 4.7327 4.7327 4.9442 4.9442 5.4620 5.4620 6.2786 6.2786 6.3263 6.3263 7.0208 7.0208 k = 0.1765-0.0000-0.0000 ( 23805 PWs) bands (ev): -40.6295 -40.6295 -40.6274 -40.6274 -40.6069 -40.6069 -40.6050 -40.6050 -22.6502 -22.6502 -22.6114 -22.6114 -9.3708 -9.3708 -9.2484 -9.2484 -7.4531 -7.4531 -7.3314 -7.3314 -7.2811 -7.2811 -7.1492 -7.1492 -1.2781 -1.2781 -0.7839 -0.7839 4.0768 4.0768 4.1656 4.1656 4.2241 4.2241 4.5655 4.5655 4.7055 4.7055 4.8730 4.8730 5.5168 5.5168 6.2635 6.2635 6.2928 6.2928 6.9701 6.9701 k = 0.1912-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6292 -40.6292 -40.6270 -40.6270 -40.6073 -40.6073 -40.6053 -40.6053 -22.6493 -22.6493 -22.6117 -22.6117 -9.3703 -9.3703 -9.2516 -9.2516 -7.4516 -7.4516 -7.3337 -7.3337 -7.2835 -7.2835 -7.1555 -7.1555 -1.2583 -1.2583 -0.7753 -0.7753 4.0666 4.0666 4.1378 4.1378 4.1829 4.1829 4.5674 4.5674 4.6779 4.6779 4.8079 4.8079 5.5760 5.5760 6.2255 6.2255 6.2828 6.2828 6.9177 6.9177 k = 0.2059-0.0000-0.0000 ( 23825 PWs) bands (ev): -40.6288 -40.6288 -40.6267 -40.6267 -40.6076 -40.6076 -40.6057 -40.6057 -22.6484 -22.6484 -22.6120 -22.6120 -9.3698 -9.3698 -9.2550 -9.2550 -7.4500 -7.4500 -7.3360 -7.3360 -7.2860 -7.2860 -7.1621 -7.1621 -1.2374 -1.2374 -0.7666 -0.7666 4.0411 4.0411 4.0786 4.0786 4.1840 4.1840 4.5686 4.5686 4.6504 4.6504 4.7495 4.7495 5.6391 5.6391 6.1826 6.1826 6.2801 6.2801 6.8640 6.8640 k = 0.2206-0.0000-0.0000 ( 23823 PWs) bands (ev): -40.6285 -40.6285 -40.6263 -40.6263 -40.6080 -40.6080 -40.6061 -40.6061 -22.6474 -22.6474 -22.6123 -22.6123 -9.3691 -9.3691 -9.2585 -9.2585 -7.4484 -7.4484 -7.3383 -7.3383 -7.2886 -7.2886 -7.1688 -7.1688 -1.2154 -1.2154 -0.7580 -0.7580 3.9834 3.9834 4.0425 4.0425 4.1898 4.1898 4.5681 4.5681 4.6242 4.6242 4.6984 4.6984 5.7056 5.7056 6.1404 6.1404 6.2807 6.2807 6.8095 6.8095 k = 0.2353-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6281 -40.6281 -40.6259 -40.6259 -40.6084 -40.6084 -40.6065 -40.6065 -22.6464 -22.6464 -22.6127 -22.6127 -9.3685 -9.3685 -9.2622 -9.2622 -7.4468 -7.4468 -7.3406 -7.3406 -7.2912 -7.2912 -7.1755 -7.1755 -1.1926 -1.1926 -0.7495 -0.7495 3.9154 3.9154 4.0107 4.0107 4.1972 4.1972 4.5629 4.5629 4.6022 4.6022 4.6546 4.6546 5.7752 5.7752 6.0998 6.0998 6.2848 6.2848 6.7546 6.7546 k = 0.2500-0.0000-0.0000 ( 23813 PWs) bands (ev): -40.6276 -40.6276 -40.6255 -40.6255 -40.6088 -40.6088 -40.6069 -40.6069 -22.6454 -22.6454 -22.6131 -22.6131 -9.3677 -9.3677 -9.2661 -9.2661 -7.4451 -7.4451 -7.3430 -7.3430 -7.2937 -7.2937 -7.1823 -7.1823 -1.1689 -1.1689 -0.7413 -0.7413 3.8479 3.8479 3.9739 3.9739 4.2058 4.2058 4.5481 4.5481 4.5897 4.5897 4.6176 4.6176 5.8473 5.8473 6.0617 6.0617 6.2929 6.2929 6.6995 6.6995 k = 0.2647-0.0000-0.0000 ( 23817 PWs) bands (ev): -40.6272 -40.6272 -40.6250 -40.6250 -40.6093 -40.6093 -40.6073 -40.6073 -22.6443 -22.6443 -22.6136 -22.6136 -9.3668 -9.3668 -9.2700 -9.2700 -7.4435 -7.4435 -7.3454 -7.3454 -7.2961 -7.2961 -7.1891 -7.1891 -1.1446 -1.1446 -0.7336 -0.7336 3.7829 3.7829 3.9319 3.9319 4.2153 4.2153 4.5259 4.5259 4.5829 4.5829 4.5879 4.5879 5.9210 5.9210 6.0265 6.0265 6.3052 6.3052 6.6446 6.6446 k = 0.2794-0.0000-0.0000 ( 23811 PWs) bands (ev): -40.6267 -40.6267 -40.6246 -40.6246 -40.6097 -40.6097 -40.6078 -40.6078 -22.6432 -22.6432 -22.6140 -22.6140 -9.3658 -9.3658 -9.2741 -9.2741 -7.4418 -7.4418 -7.3479 -7.3479 -7.2984 -7.2984 -7.1959 -7.1959 -1.1197 -1.1197 -0.7265 -0.7265 3.7209 3.7209 3.8857 3.8857 4.2257 4.2257 4.5019 4.5019 4.5583 4.5583 4.5827 4.5827 5.9855 5.9855 6.0047 6.0047 6.3220 6.3220 6.5902 6.5902 k = 0.2941-0.0000-0.0000 ( 23793 PWs) bands (ev): -40.6262 -40.6262 -40.6241 -40.6241 -40.6102 -40.6102 -40.6083 -40.6083 -22.6420 -22.6420 -22.6145 -22.6145 -9.3647 -9.3647 -9.2783 -9.2783 -7.4401 -7.4401 -7.3506 -7.3506 -7.3003 -7.3003 -7.2025 -7.2025 -1.0944 -1.0944 -0.7202 -0.7202 3.6623 3.6623 3.8368 3.8368 4.2369 4.2369 4.4781 4.4781 4.5344 4.5344 4.5800 4.5800 5.9628 5.9628 6.0741 6.0741 6.3432 6.3432 6.5366 6.5366 k = 0.3088-0.0000-0.0000 ( 23791 PWs) bands (ev): -40.6257 -40.6257 -40.6236 -40.6236 -40.6107 -40.6107 -40.6087 -40.6087 -22.6409 -22.6409 -22.6151 -22.6151 -9.3635 -9.3635 -9.2825 -9.2825 -7.4384 -7.4384 -7.3535 -7.3535 -7.3018 -7.3018 -7.2091 -7.2091 -1.0688 -1.0688 -0.7147 -0.7147 3.6075 3.6075 3.7862 3.7862 4.2487 4.2487 4.4555 4.4555 4.5127 4.5127 4.5767 4.5767 5.9373 5.9373 6.1493 6.1493 6.3686 6.3686 6.4842 6.4842 k = 0.3235-0.0000-0.0000 ( 23787 PWs) bands (ev): -40.6252 -40.6252 -40.6231 -40.6231 -40.6112 -40.6112 -40.6093 -40.6093 -22.6397 -22.6397 -22.6157 -22.6157 -9.3621 -9.3621 -9.2867 -9.2867 -7.4367 -7.4367 -7.3566 -7.3566 -7.3029 -7.3029 -7.2155 -7.2155 -1.0430 -1.0430 -0.7103 -0.7103 3.5568 3.5568 3.7353 3.7353 4.2610 4.2610 4.4343 4.4343 4.4925 4.4925 4.5726 4.5726 5.9152 5.9152 6.2232 6.2232 6.3977 6.3977 6.4336 6.4336 k = 0.3382-0.0000-0.0000 ( 23801 PWs) bands (ev): -40.6247 -40.6247 -40.6226 -40.6226 -40.6118 -40.6118 -40.6098 -40.6098 -22.6385 -22.6385 -22.6163 -22.6163 -9.3607 -9.3607 -9.2910 -9.2910 -7.4349 -7.4349 -7.3600 -7.3600 -7.3034 -7.3034 -7.2217 -7.2217 -1.0173 -1.0173 -0.7071 -0.7071 3.5104 3.5104 3.6850 3.6850 4.2739 4.2739 4.4147 4.4147 4.4735 4.4735 4.5674 4.5674 5.8969 5.8969 6.2917 6.2917 6.3878 6.3878 6.4300 6.4300 k = 0.3529-0.0000-0.0000 ( 23819 PWs) bands (ev): -40.6242 -40.6242 -40.6220 -40.6220 -40.6123 -40.6123 -40.6103 -40.6103 -22.6373 -22.6373 -22.6170 -22.6170 -9.3591 -9.3591 -9.2952 -9.2952 -7.4330 -7.4330 -7.3636 -7.3636 -7.3035 -7.3035 -7.2278 -7.2278 -0.9916 -0.9916 -0.7051 -0.7051 3.4685 3.4685 3.6360 3.6360 4.2873 4.2873 4.3969 4.3969 4.4554 4.4554 4.5611 4.5611 5.8825 5.8825 6.3165 6.3165 6.3846 6.3846 6.4648 6.4648 k = 0.3676-0.0000-0.0000 ( 23803 PWs) bands (ev): -40.6236 -40.6236 -40.6215 -40.6215 -40.6129 -40.6129 -40.6109 -40.6109 -22.6361 -22.6361 -22.6177 -22.6177 -9.3573 -9.3573 -9.2995 -9.2995 -7.4311 -7.4311 -7.3675 -7.3675 -7.3029 -7.3029 -7.2337 -7.2337 -0.9663 -0.9663 -0.7046 -0.7046 3.4312 3.4312 3.5889 3.5889 4.3010 4.3010 4.3811 4.3811 4.4380 4.4380 4.5536 4.5536 5.8721 5.8721 6.2779 6.2779 6.4426 6.4426 6.5013 6.5013 k = 0.3824-0.0000-0.0000 ( 23799 PWs) bands (ev): -40.6230 -40.6230 -40.6209 -40.6209 -40.6134 -40.6134 -40.6114 -40.6114 -22.6349 -22.6349 -22.6184 -22.6184 -9.3554 -9.3554 -9.3037 -9.3037 -7.4290 -7.4290 -7.3716 -7.3716 -7.3018 -7.3018 -7.2394 -7.2394 -0.9413 -0.9413 -0.7056 -0.7056 3.3987 3.3987 3.5444 3.5444 4.3148 4.3148 4.3676 4.3676 4.4216 4.4216 4.5449 4.5449 5.8657 5.8657 6.2340 6.2340 6.5027 6.5027 6.5389 6.5389 k = 0.3971-0.0000-0.0000 ( 23785 PWs) bands (ev): -40.6225 -40.6225 -40.6203 -40.6203 -40.6140 -40.6140 -40.6120 -40.6120 -22.6337 -22.6337 -22.6192 -22.6192 -9.3533 -9.3533 -9.3079 -9.3079 -7.4267 -7.4267 -7.3759 -7.3759 -7.3003 -7.3003 -7.2450 -7.2450 -0.9170 -0.9170 -0.7082 -0.7082 3.3711 3.3711 3.5028 3.5028 4.3282 4.3282 4.3568 4.3568 4.4062 4.4062 4.5351 4.5351 5.8633 5.8633 6.1910 6.1910 6.5577 6.5577 6.5768 6.5768 k = 0.4118-0.0000-0.0000 ( 23799 PWs) bands (ev): -40.6219 -40.6219 -40.6198 -40.6198 -40.6146 -40.6146 -40.6126 -40.6126 -22.6325 -22.6325 -22.6200 -22.6200 -9.3511 -9.3511 -9.3119 -9.3119 -7.4243 -7.4243 -7.3802 -7.3802 -7.2982 -7.2982 -7.2504 -7.2504 -0.8934 -0.8934 -0.7125 -0.7125 3.3486 3.3486 3.4645 3.4645 4.3371 4.3371 4.3524 4.3524 4.3923 4.3923 4.5242 4.5242 5.8649 5.8649 6.1497 6.1497 6.6042 6.6042 6.6158 6.6158 k = 0.4265-0.0000-0.0000 ( 23815 PWs) bands (ev): -40.6213 -40.6213 -40.6192 -40.6192 -40.6152 -40.6152 -40.6132 -40.6132 -22.6314 -22.6314 -22.6209 -22.6209 -9.3487 -9.3487 -9.3159 -9.3159 -7.4217 -7.4217 -7.3846 -7.3846 -7.2958 -7.2958 -7.2556 -7.2556 -0.8706 -0.8706 -0.7185 -0.7185 3.3311 3.3311 3.4299 3.4299 4.3348 4.3348 4.3596 4.3596 4.3817 4.3817 4.5122 4.5122 5.8704 5.8704 6.1105 6.1105 6.6411 6.6411 6.6548 6.6548 k = 0.4412-0.0000-0.0000 ( 23821 PWs) bands (ev): -40.6207 -40.6207 -40.6186 -40.6186 -40.6158 -40.6158 -40.6138 -40.6138 -22.6302 -22.6302 -22.6218 -22.6218 -9.3461 -9.3461 -9.3198 -9.3198 -7.4188 -7.4188 -7.3890 -7.3890 -7.2930 -7.2930 -7.2606 -7.2606 -0.8489 -0.8489 -0.7263 -0.7263 3.3188 3.3188 3.3993 3.3993 4.3304 4.3304 4.3599 4.3599 4.3837 4.3837 4.4994 4.4994 5.8797 5.8797 6.0735 6.0735 6.6723 6.6723 6.6884 6.6884 k = 0.4559-0.0000-0.0000 ( 23801 PWs) bands (ev): -40.6201 -40.6201 -40.6180 -40.6180 -40.6164 -40.6164 -40.6144 -40.6144 -22.6290 -22.6290 -22.6227 -22.6227 -9.3434 -9.3434 -9.3236 -9.3236 -7.4158 -7.4158 -7.3933 -7.3933 -7.2898 -7.2898 -7.2654 -7.2654 -0.8284 -0.8284 -0.7359 -0.7359 3.3116 3.3116 3.3727 3.3727 4.3276 4.3276 4.3517 4.3517 4.3966 4.3966 4.4858 4.4858 5.8926 5.8926 6.0391 6.0391 6.6985 6.6985 6.7141 6.7141 k = 0.4706-0.0000-0.0000 ( 23802 PWs) bands (ev): -40.6195 -40.6195 -40.6174 -40.6174 -40.6170 -40.6170 -40.6150 -40.6150 -22.6279 -22.6279 -22.6237 -22.6237 -9.3405 -9.3405 -9.3273 -9.3273 -7.4125 -7.4125 -7.3975 -7.3975 -7.2864 -7.2864 -7.2700 -7.2700 -0.8091 -0.8091 -0.7472 -0.7472 3.3095 3.3095 3.3506 3.3506 4.3268 4.3268 4.3434 4.3434 4.4114 4.4114 4.4716 4.4716 5.9091 5.9091 6.0072 6.0072 6.7193 6.7193 6.7315 6.7315 k = 0.4853-0.0000-0.0000 ( 23812 PWs) bands (ev): -40.6188 -40.6188 -40.6176 -40.6176 -40.6168 -40.6168 -40.6156 -40.6156 -22.6268 -22.6268 -22.6247 -22.6247 -9.3374 -9.3374 -9.3308 -9.3308 -7.4091 -7.4091 -7.4015 -7.4015 -7.2826 -7.2826 -7.2744 -7.2744 -0.7913 -0.7913 -0.7602 -0.7602 3.3124 3.3124 3.3331 3.3331 4.3281 4.3281 4.3365 4.3365 4.4266 4.4266 4.4569 4.4569 5.9289 5.9289 5.9781 5.9781 6.7336 6.7336 6.7403 6.7403 k = 0.5000-0.0000-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2786 -7.2786 -7.2786 -7.2786 -0.7749 -0.7749 -0.7749 -0.7749 3.3203 3.3203 3.3203 3.3203 4.3313 4.3313 4.3313 4.3313 4.4419 4.4419 4.4419 4.4419 5.9520 5.9520 5.9520 5.9520 6.7409 6.7409 6.7409 6.7409 k = 0.5000-0.0000-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2786 -7.2786 -7.2786 -7.2786 -0.7749 -0.7749 -0.7749 -0.7749 3.3203 3.3203 3.3203 3.3203 4.3313 4.3313 4.3313 4.3313 4.4419 4.4419 4.4419 4.4419 5.9520 5.9520 5.9520 5.9520 6.7409 6.7409 6.7409 6.7409 k = 0.5000 0.0146-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2787 -7.2787 -7.2787 -7.2787 -0.7753 -0.7753 -0.7753 -0.7753 3.3218 3.3218 3.3218 3.3218 4.3326 4.3326 4.3326 4.3326 4.4419 4.4419 4.4419 4.4419 5.9516 5.9516 5.9516 5.9516 6.7404 6.7404 6.7404 6.7404 k = 0.5000 0.0292-0.0000 ( 23814 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2787 -7.2787 -7.2787 -7.2787 -0.7763 -0.7763 -0.7763 -0.7763 3.3263 3.3263 3.3263 3.3263 4.3366 4.3366 4.3366 4.3366 4.4422 4.4422 4.4422 4.4422 5.9506 5.9506 5.9506 5.9506 6.7390 6.7390 6.7390 6.7390 k = 0.5000 0.0438-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2788 -7.2788 -7.2788 -7.2788 -0.7780 -0.7780 -0.7780 -0.7780 3.3337 3.3337 3.3337 3.3337 4.3433 4.3433 4.3433 4.3433 4.4426 4.4426 4.4426 4.4426 5.9488 5.9488 5.9488 5.9488 6.7365 6.7365 6.7365 6.7365 k = 0.5000 0.0583-0.0000 ( 23802 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2789 -7.2789 -7.2789 -7.2789 -0.7803 -0.7803 -0.7803 -0.7803 3.3440 3.3440 3.3440 3.3440 4.3523 4.3523 4.3523 4.3523 4.4432 4.4432 4.4432 4.4432 5.9464 5.9464 5.9464 5.9464 6.7329 6.7329 6.7329 6.7329 k = 0.5000 0.0729-0.0000 ( 23810 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3343 -9.3343 -9.3343 -9.3343 -7.4054 -7.4054 -7.4054 -7.4054 -7.2790 -7.2790 -7.2790 -7.2790 -0.7833 -0.7833 -0.7833 -0.7833 3.3571 3.3571 3.3571 3.3571 4.3637 4.3637 4.3637 4.3637 4.4441 4.4441 4.4441 4.4441 5.9434 5.9434 5.9434 5.9434 6.7280 6.7280 6.7280 6.7280 k = 0.5000 0.0875-0.0000 ( 23806 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3343 -9.3343 -9.3343 -9.3343 -7.4054 -7.4054 -7.4054 -7.4054 -7.2792 -7.2792 -7.2792 -7.2792 -0.7867 -0.7867 -0.7867 -0.7867 3.3729 3.3729 3.3729 3.3729 4.3770 4.3770 4.3770 4.3770 4.4455 4.4455 4.4455 4.4455 5.9399 5.9399 5.9399 5.9399 6.7216 6.7216 6.7216 6.7216 k = 0.5000 0.1021-0.0000 ( 23810 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3344 -9.3344 -9.3344 -9.3344 -7.4054 -7.4054 -7.4054 -7.4054 -7.2794 -7.2794 -7.2794 -7.2794 -0.7907 -0.7907 -0.7907 -0.7907 3.3913 3.3913 3.3913 3.3913 4.3918 4.3918 4.3918 4.3918 4.4477 4.4477 4.4477 4.4477 5.9359 5.9359 5.9359 5.9359 6.7135 6.7135 6.7135 6.7135 k = 0.5000 0.1167-0.0000 ( 23800 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3344 -9.3344 -9.3344 -9.3344 -7.4054 -7.4054 -7.4054 -7.4054 -7.2796 -7.2796 -7.2796 -7.2796 -0.7951 -0.7951 -0.7951 -0.7951 3.4121 3.4121 3.4121 3.4121 4.4068 4.4068 4.4068 4.4068 4.4518 4.4518 4.4518 4.4518 5.9315 5.9315 5.9315 5.9315 6.7035 6.7035 6.7035 6.7035 k = 0.5000 0.1313-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3345 -9.3345 -9.3345 -9.3345 -7.4054 -7.4054 -7.4054 -7.4054 -7.2798 -7.2798 -7.2798 -7.2798 -0.7999 -0.7999 -0.7999 -0.7999 3.4352 3.4352 3.4352 3.4352 4.4199 4.4199 4.4199 4.4199 4.4597 4.4597 4.4597 4.4597 5.9267 5.9267 5.9267 5.9267 6.6911 6.6911 6.6911 6.6911 k = 0.5000 0.1458-0.0000 ( 23812 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3346 -9.3346 -9.3346 -9.3346 -7.4054 -7.4054 -7.4054 -7.4054 -7.2800 -7.2800 -7.2800 -7.2800 -0.8050 -0.8050 -0.8050 -0.8050 3.4603 3.4603 3.4603 3.4603 4.4287 4.4287 4.4287 4.4287 4.4736 4.4736 4.4736 4.4736 5.9218 5.9218 5.9218 5.9218 6.6762 6.6762 6.6762 6.6762 k = 0.5000 0.1604-0.0000 ( 23818 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3346 -9.3346 -9.3346 -9.3346 -7.4054 -7.4054 -7.4054 -7.4054 -7.2803 -7.2803 -7.2803 -7.2803 -0.8103 -0.8103 -0.8103 -0.8103 3.4872 3.4872 3.4872 3.4872 4.4335 4.4335 4.4335 4.4335 4.4928 4.4928 4.4928 4.4928 5.9166 5.9166 5.9166 5.9166 6.6584 6.6584 6.6584 6.6584 k = 0.5000 0.1750-0.0000 ( 23830 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3347 -9.3347 -9.3347 -9.3347 -7.4054 -7.4054 -7.4054 -7.4054 -7.2805 -7.2805 -7.2805 -7.2805 -0.8158 -0.8158 -0.8158 -0.8158 3.5155 3.5155 3.5155 3.5155 4.4362 4.4362 4.4362 4.4362 4.5152 4.5152 4.5152 4.5152 5.9114 5.9114 5.9114 5.9114 6.6375 6.6375 6.6375 6.6375 k = 0.5000 0.1896-0.0000 ( 23826 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3348 -9.3348 -9.3348 -9.3348 -7.4054 -7.4054 -7.4054 -7.4054 -7.2808 -7.2808 -7.2808 -7.2808 -0.8213 -0.8213 -0.8213 -0.8213 3.5450 3.5450 3.5450 3.5450 4.4380 4.4380 4.4380 4.4380 4.5394 4.5394 4.5394 4.5394 5.9062 5.9062 5.9062 5.9062 6.6134 6.6134 6.6134 6.6134 k = 0.5000 0.2042-0.0000 ( 23818 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3348 -9.3348 -9.3348 -9.3348 -7.4054 -7.4054 -7.4054 -7.4054 -7.2810 -7.2810 -7.2810 -7.2810 -0.8267 -0.8267 -0.8267 -0.8267 3.5753 3.5753 3.5753 3.5753 4.4393 4.4393 4.4393 4.4393 4.5647 4.5647 4.5647 4.5647 5.9011 5.9011 5.9011 5.9011 6.5859 6.5859 6.5859 6.5859 k = 0.5000 0.2188-0.0000 ( 23806 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3349 -9.3349 -9.3349 -9.3349 -7.4054 -7.4054 -7.4054 -7.4054 -7.2813 -7.2813 -7.2813 -7.2813 -0.8321 -0.8321 -0.8321 -0.8321 3.6060 3.6060 3.6060 3.6060 4.4403 4.4403 4.4403 4.4403 4.5904 4.5904 4.5904 4.5904 5.8962 5.8962 5.8962 5.8962 6.5554 6.5554 6.5554 6.5554 k = 0.5000 0.2334-0.0000 ( 23810 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3350 -9.3350 -9.3350 -9.3350 -7.4055 -7.4055 -7.4055 -7.4055 -7.2815 -7.2815 -7.2815 -7.2815 -0.8373 -0.8373 -0.8373 -0.8373 3.6366 3.6366 3.6366 3.6366 4.4412 4.4412 4.4412 4.4412 4.6162 4.6162 4.6162 4.6162 5.8915 5.8915 5.8915 5.8915 6.5221 6.5221 6.5221 6.5221 k = 0.5000 0.2479-0.0000 ( 23808 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3350 -9.3350 -9.3350 -9.3350 -7.4055 -7.4055 -7.4055 -7.4055 -7.2817 -7.2817 -7.2817 -7.2817 -0.8423 -0.8423 -0.8423 -0.8423 3.6666 3.6666 3.6666 3.6666 4.4420 4.4420 4.4420 4.4420 4.6416 4.6416 4.6416 4.6416 5.8871 5.8871 5.8871 5.8871 6.4868 6.4868 6.4868 6.4868 k = 0.5000 0.2625-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3351 -9.3351 -9.3351 -9.3351 -7.4055 -7.4055 -7.4055 -7.4055 -7.2820 -7.2820 -7.2820 -7.2820 -0.8469 -0.8469 -0.8469 -0.8469 3.6955 3.6955 3.6955 3.6955 4.4426 4.4426 4.4426 4.4426 4.6662 4.6662 4.6662 4.6662 5.8830 5.8830 5.8830 5.8830 6.4503 6.4503 6.4503 6.4503 k = 0.5000 0.2771-0.0000 ( 23806 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3351 -9.3351 -9.3351 -9.3351 -7.4055 -7.4055 -7.4055 -7.4055 -7.2821 -7.2821 -7.2821 -7.2821 -0.8511 -0.8511 -0.8511 -0.8511 3.7228 3.7228 3.7228 3.7228 4.4432 4.4432 4.4432 4.4432 4.6896 4.6896 4.6896 4.6896 5.8794 5.8794 5.8794 5.8794 6.4138 6.4138 6.4138 6.4138 k = 0.5000 0.2917-0.0000 ( 23806 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3352 -9.3352 -9.3352 -9.3352 -7.4055 -7.4055 -7.4055 -7.4055 -7.2823 -7.2823 -7.2823 -7.2823 -0.8549 -0.8549 -0.8549 -0.8549 3.7480 3.7480 3.7480 3.7480 4.4438 4.4438 4.4438 4.4438 4.7114 4.7114 4.7114 4.7114 5.8761 5.8761 5.8761 5.8761 6.3783 6.3783 6.3783 6.3783 k = 0.5000 0.3063-0.0000 ( 23814 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3352 -9.3352 -9.3352 -9.3352 -7.4055 -7.4055 -7.4055 -7.4055 -7.2825 -7.2825 -7.2825 -7.2825 -0.8582 -0.8582 -0.8582 -0.8582 3.7704 3.7704 3.7704 3.7704 4.4442 4.4442 4.4442 4.4442 4.7311 4.7311 4.7311 4.7311 5.8734 5.8734 5.8734 5.8734 6.3452 6.3452 6.3452 6.3452 k = 0.5000 0.3209-0.0000 ( 23810 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2826 -7.2826 -7.2826 -7.2826 -0.8610 -0.8610 -0.8610 -0.8610 3.7895 3.7895 3.7895 3.7895 4.4446 4.4446 4.4446 4.4446 4.7481 4.7481 4.7481 4.7481 5.8711 5.8711 5.8711 5.8711 6.3159 6.3159 6.3159 6.3159 k = 0.5000 0.3354-0.0000 ( 23818 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2827 -7.2827 -7.2827 -7.2827 -0.8632 -0.8632 -0.8632 -0.8632 3.8050 3.8050 3.8050 3.8050 4.4449 4.4449 4.4449 4.4449 4.7620 4.7620 4.7620 4.7620 5.8693 5.8693 5.8693 5.8693 6.2916 6.2916 6.2916 6.2916 k = 0.5000 0.3500-0.0000 ( 23830 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2828 -7.2828 -7.2828 -7.2828 -0.8648 -0.8648 -0.8648 -0.8648 3.8163 3.8163 3.8163 3.8163 4.4451 4.4451 4.4451 4.4451 4.7723 4.7723 4.7723 4.7723 5.8681 5.8681 5.8681 5.8681 6.2733 6.2733 6.2733 6.2733 k = 0.5000 0.3646-0.0000 ( 23846 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2828 -7.2828 -7.2828 -7.2828 -0.8657 -0.8657 -0.8657 -0.8657 3.8232 3.8232 3.8232 3.8232 4.4453 4.4453 4.4453 4.4453 4.7786 4.7786 4.7786 4.7786 5.8673 5.8673 5.8673 5.8673 6.2620 6.2620 6.2620 6.2620 k = 0.5000 0.3792-0.0000 ( 23840 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2828 -7.2828 -7.2828 -7.2828 -0.8661 -0.8661 -0.8661 -0.8661 3.8255 3.8255 3.8255 3.8255 4.4453 4.4453 4.4453 4.4453 4.7807 4.7807 4.7807 4.7807 5.8670 5.8670 5.8670 5.8670 6.2581 6.2581 6.2581 6.2581 k = 0.5000 0.3792-0.0000 ( 23840 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2828 -7.2828 -7.2828 -7.2828 -0.8661 -0.8661 -0.8661 -0.8661 3.8255 3.8255 3.8255 3.8255 4.4453 4.4453 4.4453 4.4453 4.7807 4.7807 4.7807 4.7807 5.8670 5.8670 5.8670 5.8670 6.2581 6.2581 6.2581 6.2581 k = 0.4853 0.3792-0.0000 ( 23832 PWs) bands (ev): -40.6188 -40.6188 -40.6176 -40.6176 -40.6168 -40.6168 -40.6156 -40.6156 -22.6268 -22.6268 -22.6247 -22.6247 -9.3385 -9.3385 -9.3321 -9.3321 -7.4088 -7.4088 -7.4021 -7.4021 -7.2868 -7.2868 -7.2786 -7.2786 -0.8696 -0.8696 -0.8628 -0.8628 3.8052 3.8052 3.8476 3.8476 4.4074 4.4074 4.4831 4.4831 4.7683 4.7683 4.7863 4.7863 5.8670 5.8670 5.8708 5.8708 6.2510 6.2510 6.2728 6.2728 k = 0.4706 0.3792-0.0000 ( 23824 PWs) bands (ev): -40.6195 -40.6195 -40.6174 -40.6174 -40.6170 -40.6170 -40.6150 -40.6150 -22.6279 -22.6279 -22.6236 -22.6236 -9.3414 -9.3414 -9.3286 -9.3286 -7.4120 -7.4120 -7.3985 -7.3985 -7.2905 -7.2905 -7.2742 -7.2742 -0.8735 -0.8735 -0.8600 -0.8600 3.7869 3.7869 3.8712 3.8712 4.3695 4.3695 4.5205 4.5205 4.7489 4.7489 4.7855 4.7855 5.8709 5.8709 5.8781 5.8781 6.2520 6.2520 6.2943 6.2943 k = 0.4559 0.3792-0.0000 ( 23822 PWs) bands (ev): -40.6201 -40.6201 -40.6180 -40.6180 -40.6164 -40.6164 -40.6144 -40.6144 -22.6290 -22.6290 -22.6227 -22.6227 -9.3443 -9.3443 -9.3251 -9.3251 -7.4149 -7.4149 -7.3948 -7.3948 -7.2940 -7.2940 -7.2695 -7.2695 -0.8777 -0.8777 -0.8576 -0.8576 3.7706 3.7706 3.8959 3.8959 4.3319 4.3319 4.5572 4.5572 4.7228 4.7228 4.7794 4.7794 5.8787 5.8787 5.8889 5.8889 6.2611 6.2611 6.3214 6.3214 k = 0.4412 0.3792-0.0000 ( 23832 PWs) bands (ev): -40.6207 -40.6207 -40.6186 -40.6186 -40.6158 -40.6158 -40.6138 -40.6138 -22.6301 -22.6301 -22.6217 -22.6217 -9.3469 -9.3469 -9.3214 -9.3214 -7.4177 -7.4177 -7.3911 -7.3911 -7.2971 -7.2971 -7.2647 -7.2647 -0.8821 -0.8821 -0.8555 -0.8555 3.7565 3.7565 3.9213 3.9213 4.2947 4.2947 4.5924 4.5924 4.6909 4.6909 4.7691 4.7691 5.8906 5.8906 5.9031 5.9031 6.2783 6.2783 6.3527 6.3527 k = 0.4265 0.3792-0.0000 ( 23838 PWs) bands (ev): -40.6213 -40.6213 -40.6192 -40.6192 -40.6152 -40.6152 -40.6132 -40.6132 -22.6313 -22.6313 -22.6208 -22.6208 -9.3494 -9.3494 -9.3177 -9.3177 -7.4203 -7.4203 -7.3873 -7.3873 -7.3000 -7.3000 -7.2596 -7.2596 -0.8868 -0.8868 -0.8539 -0.8539 3.7443 3.7443 3.9466 3.9466 4.2581 4.2581 4.6221 4.6221 4.6579 4.6579 4.7566 4.7566 5.9067 5.9067 5.9207 5.9207 6.3028 6.3028 6.3867 6.3867 k = 0.4118 0.3792-0.0000 ( 23816 PWs) bands (ev): -40.6219 -40.6219 -40.6198 -40.6198 -40.6146 -40.6146 -40.6126 -40.6126 -22.6325 -22.6325 -22.6200 -22.6200 -9.3518 -9.3518 -9.3138 -9.3138 -7.4228 -7.4228 -7.3834 -7.3834 -7.3025 -7.3025 -7.2543 -7.2543 -0.8917 -0.8917 -0.8527 -0.8527 3.7342 3.7342 3.9711 3.9711 4.2222 4.2222 4.6045 4.6045 4.6649 4.6649 4.7445 4.7445 5.9270 5.9270 5.9416 5.9416 6.3342 6.3342 6.4219 6.4219 k = 0.3971 0.3792-0.0000 ( 23824 PWs) bands (ev): -40.6225 -40.6225 -40.6204 -40.6204 -40.6140 -40.6140 -40.6120 -40.6120 -22.6337 -22.6337 -22.6191 -22.6191 -9.3540 -9.3540 -9.3099 -9.3099 -7.4251 -7.4251 -7.3797 -7.3797 -7.3047 -7.3047 -7.2488 -7.2488 -0.8967 -0.8967 -0.8520 -0.8520 3.7259 3.7259 3.9935 3.9935 4.1871 4.1871 4.5607 4.5607 4.6877 4.6877 4.7391 4.7391 5.9517 5.9517 5.9657 5.9657 6.3716 6.3716 6.4566 6.4566 k = 0.3824 0.3792-0.0000 ( 23820 PWs) bands (ev): -40.6230 -40.6230 -40.6209 -40.6209 -40.6134 -40.6134 -40.6114 -40.6114 -22.6348 -22.6348 -22.6184 -22.6184 -9.3560 -9.3560 -9.3059 -9.3059 -7.4272 -7.4272 -7.3759 -7.3759 -7.3065 -7.3065 -7.2431 -7.2431 -0.9019 -0.9019 -0.8517 -0.8517 3.7191 3.7191 4.0124 4.0124 4.1531 4.1531 4.5133 4.5133 4.6953 4.6953 4.7514 4.7514 5.9807 5.9807 5.9931 5.9931 6.4143 6.4143 6.4896 6.4896 k = 0.3676 0.3792-0.0000 ( 23840 PWs) bands (ev): -40.6236 -40.6236 -40.6215 -40.6215 -40.6129 -40.6129 -40.6109 -40.6109 -22.6360 -22.6360 -22.6176 -22.6176 -9.3579 -9.3579 -9.3018 -9.3018 -7.4292 -7.4292 -7.3723 -7.3723 -7.3079 -7.3079 -7.2372 -7.2372 -0.9073 -0.9073 -0.8518 -0.8518 3.7135 3.7135 4.0261 4.0261 4.1205 4.1205 4.4646 4.4646 4.6941 4.6941 4.7763 4.7763 6.0137 6.0137 6.0239 6.0239 6.4613 6.4613 6.5197 6.5197 k = 0.3529 0.3792-0.0000 ( 23852 PWs) bands (ev): -40.6242 -40.6242 -40.6221 -40.6221 -40.6123 -40.6123 -40.6103 -40.6103 -22.6372 -22.6372 -22.6169 -22.6169 -9.3597 -9.3597 -9.2977 -9.2977 -7.4312 -7.4312 -7.3689 -7.3689 -7.3088 -7.3088 -7.2311 -7.2311 -0.9127 -0.9127 -0.8524 -0.8524 3.7086 3.7086 4.0325 4.0325 4.0899 4.0899 4.4161 4.4161 4.6956 4.6956 4.8038 4.8038 6.0501 6.0501 6.0588 6.0588 6.5109 6.5109 6.5470 6.5470 k = 0.3382 0.3792-0.0000 ( 23846 PWs) bands (ev): -40.6247 -40.6247 -40.6226 -40.6226 -40.6117 -40.6117 -40.6098 -40.6098 -22.6384 -22.6384 -22.6162 -22.6162 -9.3613 -9.3613 -9.2936 -9.2936 -7.4331 -7.4331 -7.3655 -7.3655 -7.3093 -7.3093 -7.2248 -7.2248 -0.9181 -0.9181 -0.8534 -0.8534 3.7039 3.7039 4.0287 4.0287 4.0632 4.0632 4.3690 4.3690 4.7043 4.7043 4.8310 4.8310 6.0884 6.0884 6.0991 6.0991 6.5534 6.5534 6.5796 6.5796 k = 0.3235 0.3792-0.0000 ( 23834 PWs) bands (ev): -40.6252 -40.6252 -40.6231 -40.6231 -40.6112 -40.6112 -40.6093 -40.6093 -22.6396 -22.6396 -22.6156 -22.6156 -9.3627 -9.3627 -9.2895 -9.2895 -7.4349 -7.4349 -7.3624 -7.3624 -7.3094 -7.3094 -7.2184 -7.2184 -0.9236 -0.9236 -0.8549 -0.8549 3.6984 3.6984 4.0119 4.0119 4.0427 4.0427 4.3247 4.3247 4.7216 4.7216 4.8570 4.8570 6.1281 6.1281 6.1451 6.1451 6.5736 6.5736 6.6317 6.6317 k = 0.3088 0.3792-0.0000 ( 23846 PWs) bands (ev): -40.6258 -40.6258 -40.6236 -40.6236 -40.6107 -40.6107 -40.6088 -40.6088 -22.6408 -22.6408 -22.6150 -22.6150 -9.3640 -9.3640 -9.2855 -9.2855 -7.4366 -7.4366 -7.3594 -7.3594 -7.3091 -7.3091 -7.2117 -7.2117 -0.9291 -0.9291 -0.8567 -0.8567 3.6912 3.6912 3.9874 3.9874 4.0237 4.0237 4.2844 4.2844 4.7478 4.7478 4.8818 4.8818 6.1700 6.1700 6.1960 6.1960 6.5833 6.5833 6.6907 6.6907 k = 0.2941 0.3792-0.0000 ( 23848 PWs) bands (ev): -40.6263 -40.6263 -40.6241 -40.6241 -40.6102 -40.6102 -40.6083 -40.6083 -22.6420 -22.6420 -22.6145 -22.6145 -9.3653 -9.3653 -9.2814 -9.2814 -7.4384 -7.4384 -7.3566 -7.3566 -7.3085 -7.3085 -7.2050 -7.2050 -0.9345 -0.9345 -0.8589 -0.8589 3.6815 3.6815 3.9611 3.9611 4.0011 4.0011 4.2496 4.2496 4.7825 4.7825 4.9052 4.9052 6.2143 6.2143 6.2512 6.2512 6.5863 6.5863 6.7522 6.7522 k = 0.2794 0.3792-0.0000 ( 23856 PWs) bands (ev): -40.6267 -40.6267 -40.6246 -40.6246 -40.6097 -40.6097 -40.6078 -40.6078 -22.6431 -22.6431 -22.6140 -22.6140 -9.3664 -9.3664 -9.2775 -9.2775 -7.4402 -7.4402 -7.3538 -7.3538 -7.3075 -7.3075 -7.1981 -7.1981 -0.9399 -0.9399 -0.8614 -0.8614 3.6682 3.6682 3.9352 3.9352 3.9741 3.9741 4.2215 4.2215 4.8245 4.8245 4.9271 4.9271 6.2609 6.2609 6.3104 6.3104 6.5836 6.5836 6.8150 6.8150 k = 0.2647 0.3792-0.0000 ( 23852 PWs) bands (ev): -40.6272 -40.6272 -40.6250 -40.6250 -40.6093 -40.6093 -40.6073 -40.6073 -22.6442 -22.6442 -22.6135 -22.6135 -9.3673 -9.3673 -9.2736 -9.2736 -7.4419 -7.4419 -7.3512 -7.3512 -7.3063 -7.3063 -7.1912 -7.1912 -0.9452 -0.9452 -0.8643 -0.8643 3.6507 3.6507 3.9099 3.9099 3.9437 3.9437 4.2009 4.2009 4.8727 4.8727 4.9478 4.9478 6.3098 6.3098 6.3735 6.3735 6.5757 6.5757 6.8782 6.8782 k = 0.2500 0.3792-0.0000 ( 23846 PWs) bands (ev): -40.6277 -40.6277 -40.6255 -40.6255 -40.6088 -40.6088 -40.6069 -40.6069 -22.6453 -22.6453 -22.6130 -22.6130 -9.3682 -9.3682 -9.2698 -9.2698 -7.4437 -7.4437 -7.3487 -7.3487 -7.3049 -7.3049 -7.1843 -7.1843 -0.9503 -0.9503 -0.8674 -0.8674 3.6288 3.6288 3.8855 3.8855 3.9107 3.9107 4.1883 4.1883 4.9254 4.9254 4.9678 4.9678 6.3609 6.3609 6.4402 6.4402 6.5634 6.5634 6.9410 6.9410 k = 0.2353 0.3792-0.0000 ( 23844 PWs) bands (ev): -40.6281 -40.6281 -40.6259 -40.6259 -40.6084 -40.6084 -40.6065 -40.6065 -22.6463 -22.6463 -22.6126 -22.6126 -9.3690 -9.3690 -9.2661 -9.2661 -7.4454 -7.4454 -7.3461 -7.3461 -7.3033 -7.3033 -7.1773 -7.1773 -0.9553 -0.9553 -0.8708 -0.8708 3.6029 3.6029 3.8613 3.8613 3.8769 3.8769 4.1835 4.1835 4.9746 4.9746 4.9942 4.9942 6.4139 6.4139 6.5101 6.5101 6.5478 6.5478 7.0025 7.0025 k = 0.2206 0.3792-0.0000 ( 23856 PWs) bands (ev): -40.6285 -40.6285 -40.6263 -40.6263 -40.6080 -40.6080 -40.6061 -40.6061 -22.6473 -22.6473 -22.6123 -22.6123 -9.3697 -9.3697 -9.2626 -9.2626 -7.4472 -7.4472 -7.3436 -7.3436 -7.3017 -7.3017 -7.1705 -7.1705 -0.9601 -0.9601 -0.8743 -0.8743 3.5738 3.5738 3.8340 3.8340 3.8465 3.8465 4.1858 4.1858 4.9973 4.9973 5.0492 5.0492 6.4686 6.4686 6.5277 6.5277 6.5846 6.5846 7.0616 7.0616 k = 0.2059 0.3792-0.0000 ( 23844 PWs) bands (ev): -40.6289 -40.6289 -40.6267 -40.6267 -40.6076 -40.6076 -40.6057 -40.6057 -22.6483 -22.6483 -22.6119 -22.6119 -9.3704 -9.3704 -9.2592 -9.2592 -7.4489 -7.4489 -7.3412 -7.3412 -7.3001 -7.3001 -7.1637 -7.1637 -0.9648 -0.9648 -0.8779 -0.8779 3.5425 3.5425 3.8003 3.8003 3.8234 3.8234 4.1941 4.1941 5.0132 5.0132 5.1124 5.1124 6.5064 6.5064 6.5250 6.5250 6.6610 6.6610 7.1172 7.1172 k = 0.1912 0.3792-0.0000 ( 23856 PWs) bands (ev): -40.6292 -40.6292 -40.6270 -40.6270 -40.6073 -40.6073 -40.6053 -40.6053 -22.6492 -22.6492 -22.6116 -22.6116 -9.3709 -9.3709 -9.2560 -9.2560 -7.4506 -7.4506 -7.3387 -7.3387 -7.2984 -7.2984 -7.1571 -7.1571 -0.9692 -0.9692 -0.8817 -0.8817 3.5099 3.5099 3.7652 3.7652 3.8036 3.8036 4.2072 4.2072 5.0272 5.0272 5.1782 5.1782 6.4835 6.4835 6.5823 6.5823 6.7404 6.7404 7.1679 7.1679 k = 0.1765 0.3792-0.0000 ( 23868 PWs) bands (ev): -40.6296 -40.6296 -40.6274 -40.6274 -40.6069 -40.6069 -40.6050 -40.6050 -22.6501 -22.6501 -22.6113 -22.6113 -9.3714 -9.3714 -9.2529 -9.2529 -7.4523 -7.4523 -7.3363 -7.3363 -7.2968 -7.2968 -7.1507 -7.1507 -0.9733 -0.9733 -0.8854 -0.8854 3.4771 3.4771 3.7306 3.7306 3.7854 3.7854 4.2241 4.2241 5.0399 5.0399 5.2453 5.2453 6.4594 6.4594 6.6405 6.6405 6.8225 6.8225 7.2125 7.2125 k = 0.1618 0.3792-0.0000 ( 23860 PWs) bands (ev): -40.6299 -40.6299 -40.6277 -40.6277 -40.6066 -40.6066 -40.6047 -40.6047 -22.6509 -22.6509 -22.6111 -22.6111 -9.3719 -9.3719 -9.2500 -9.2500 -7.4539 -7.4539 -7.3339 -7.3339 -7.2953 -7.2953 -7.1446 -7.1446 -0.9772 -0.9772 -0.8891 -0.8891 3.4447 3.4447 3.6973 3.6973 3.7688 3.7688 4.2436 4.2436 5.0514 5.0514 5.3131 5.3131 6.4346 6.4346 6.6992 6.6992 6.9070 6.9070 7.2502 7.2502 k = 0.1471 0.3792-0.0000 ( 23860 PWs) bands (ev): -40.6302 -40.6302 -40.6280 -40.6280 -40.6063 -40.6063 -40.6044 -40.6044 -22.6517 -22.6517 -22.6109 -22.6109 -9.3723 -9.3723 -9.2474 -9.2474 -7.4554 -7.4554 -7.3316 -7.3316 -7.2938 -7.2938 -7.1387 -7.1387 -0.9808 -0.9808 -0.8928 -0.8928 3.4136 3.4136 3.6657 3.6657 3.7536 3.7536 4.2648 4.2648 5.0617 5.0617 5.3808 5.3808 6.4098 6.4098 6.7576 6.7576 6.9939 6.9939 7.2803 7.2803 k = 0.1324 0.3792-0.0000 ( 23858 PWs) bands (ev): -40.6304 -40.6304 -40.6282 -40.6282 -40.6061 -40.6061 -40.6042 -40.6042 -22.6523 -22.6523 -22.6107 -22.6107 -9.3726 -9.3726 -9.2450 -9.2450 -7.4568 -7.4568 -7.3295 -7.3295 -7.2925 -7.2925 -7.1333 -7.1333 -0.9841 -0.9841 -0.8963 -0.8963 3.3842 3.3842 3.6362 3.6362 3.7399 3.7399 4.2869 4.2869 5.0710 5.0710 5.4477 5.4477 6.3851 6.3851 6.8154 6.8154 7.0827 7.0827 7.3030 7.3030 k = 0.1176 0.3792-0.0000 ( 23862 PWs) bands (ev): -40.6306 -40.6306 -40.6284 -40.6284 -40.6058 -40.6058 -40.6039 -40.6039 -22.6530 -22.6530 -22.6105 -22.6105 -9.3729 -9.3729 -9.2428 -9.2428 -7.4581 -7.4581 -7.3274 -7.3274 -7.2913 -7.2913 -7.1283 -7.1283 -0.9871 -0.9871 -0.8996 -0.8996 3.3569 3.3569 3.6090 3.6090 3.7276 3.7276 4.3091 4.3091 5.0792 5.0792 5.5129 5.5129 6.3609 6.3609 6.8716 6.8716 7.1734 7.1734 7.3189 7.3189 k = 0.1029 0.3792-0.0000 ( 23850 PWs) bands (ev): -40.6309 -40.6309 -40.6286 -40.6286 -40.6056 -40.6056 -40.6037 -40.6037 -22.6535 -22.6535 -22.6103 -22.6103 -9.3731 -9.3731 -9.2408 -9.2408 -7.4593 -7.4593 -7.3255 -7.3255 -7.2902 -7.2902 -7.1238 -7.1238 -0.9898 -0.9898 -0.9026 -0.9026 3.3322 3.3322 3.5845 3.5845 3.7168 3.7168 4.3306 4.3306 5.0864 5.0864 5.5755 5.5755 6.3374 6.3374 6.9255 6.9255 7.2653 7.2653 7.3294 7.3294 k = 0.0882 0.3792-0.0000 ( 23830 PWs) bands (ev): -40.6310 -40.6310 -40.6288 -40.6288 -40.6054 -40.6054 -40.6035 -40.6035 -22.6540 -22.6540 -22.6102 -22.6102 -9.3733 -9.3733 -9.2391 -9.2391 -7.4604 -7.4604 -7.3238 -7.3238 -7.2892 -7.2892 -7.1197 -7.1197 -0.9921 -0.9921 -0.9054 -0.9054 3.3103 3.3103 3.5628 3.5628 3.7074 3.7074 4.3508 4.3508 5.0926 5.0926 5.6345 5.6345 6.3148 6.3148 6.9760 6.9760 7.3333 7.3333 7.3606 7.3606 k = 0.0735 0.3792-0.0000 ( 23820 PWs) bands (ev): -40.6312 -40.6312 -40.6290 -40.6290 -40.6053 -40.6053 -40.6034 -40.6034 -22.6544 -22.6544 -22.6101 -22.6101 -9.3735 -9.3735 -9.2376 -9.2376 -7.4613 -7.4613 -7.3223 -7.3223 -7.2884 -7.2884 -7.1163 -7.1163 -0.9941 -0.9941 -0.9078 -0.9078 3.2914 3.2914 3.5442 3.5442 3.6994 3.6994 4.3690 4.3690 5.0979 5.0979 5.6889 5.6889 6.2936 6.2936 7.0219 7.0219 7.3369 7.3369 7.4536 7.4536 k = 0.0588 0.3792-0.0000 ( 23836 PWs) bands (ev): -40.6313 -40.6313 -40.6291 -40.6291 -40.6052 -40.6052 -40.6033 -40.6033 -22.6548 -22.6548 -22.6100 -22.6100 -9.3736 -9.3736 -9.2364 -9.2364 -7.4621 -7.4621 -7.3210 -7.3210 -7.2878 -7.2878 -7.1134 -7.1134 -0.9957 -0.9957 -0.9098 -0.9098 3.2758 3.2758 3.5287 3.5287 3.6929 3.6929 4.3848 4.3848 5.1021 5.1021 5.7371 5.7371 6.2741 6.2741 7.0621 7.0621 7.3377 7.3377 7.5474 7.5474 k = 0.0441 0.3792-0.0000 ( 23822 PWs) bands (ev): -40.6314 -40.6314 -40.6292 -40.6292 -40.6051 -40.6051 -40.6032 -40.6032 -22.6551 -22.6551 -22.6099 -22.6099 -9.3737 -9.3737 -9.2354 -9.2354 -7.4627 -7.4627 -7.3200 -7.3200 -7.2872 -7.2872 -7.1111 -7.1111 -0.9970 -0.9970 -0.9114 -0.9114 3.2635 3.2635 3.5166 3.5166 3.6878 3.6878 4.3975 4.3975 5.1054 5.1054 5.7777 5.7777 6.2569 6.2569 7.0952 7.0952 7.3373 7.3373 7.6397 7.6397 k = 0.0294 0.3792-0.0000 ( 23826 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6050 -40.6050 -40.6031 -40.6031 -22.6553 -22.6553 -22.6099 -22.6099 -9.3738 -9.3738 -9.2348 -9.2348 -7.4632 -7.4632 -7.3193 -7.3193 -7.2869 -7.2869 -7.1095 -7.1095 -0.9979 -0.9979 -0.9126 -0.9126 3.2546 3.2546 3.5078 3.5078 3.6842 3.6842 4.4070 4.4070 5.1077 5.1077 5.8089 5.8089 6.2432 6.2432 7.1200 7.1200 7.3365 7.3365 7.7271 7.7271 k = 0.0147 0.3792-0.0000 ( 23838 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6050 -40.6050 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2343 -9.2343 -7.4634 -7.4634 -7.3188 -7.3188 -7.2866 -7.2866 -7.1085 -7.1085 -0.9984 -0.9984 -0.9133 -0.9133 3.2493 3.2493 3.5026 3.5026 3.6820 3.6820 4.4128 4.4128 5.1091 5.1091 5.8287 5.8287 6.2342 6.2342 7.1353 7.1353 7.3358 7.3358 7.8001 7.8001 k = 0.0000 0.3792-0.0000 ( 23834 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2342 -9.2342 -7.4635 -7.4635 -7.3187 -7.3187 -7.2866 -7.2866 -7.1081 -7.1081 -0.9986 -0.9986 -0.9136 -0.9136 3.2475 3.2475 3.5008 3.5008 3.6813 3.6813 4.4147 4.4147 5.1096 5.1096 5.8355 5.8355 6.2310 6.2310 7.1405 7.1405 7.3355 7.3355 7.8326 7.8326 k = 0.0000 0.3792-0.0000 ( 23834 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2342 -9.2342 -7.4635 -7.4635 -7.3187 -7.3187 -7.2866 -7.2866 -7.1081 -7.1081 -0.9986 -0.9986 -0.9136 -0.9136 3.2475 3.2475 3.5008 3.5008 3.6813 3.6813 4.4147 4.4147 5.1096 5.1096 5.8355 5.8355 6.2310 6.2310 7.1405 7.1405 7.3355 7.3355 7.8326 7.8326 k = 0.0000 0.3646-0.0000 ( 23822 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2342 -9.2342 -7.4635 -7.4635 -7.3187 -7.3187 -7.2865 -7.2865 -7.1081 -7.1081 -1.0032 -1.0032 -0.9103 -0.9103 3.2483 3.2483 3.5052 3.5052 3.6822 3.6822 4.4161 4.4161 5.1082 5.1082 5.8359 5.8359 6.2279 6.2279 7.1372 7.1372 7.3289 7.3289 7.8290 7.8290 k = 0.0000 0.3500-0.0000 ( 23826 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2341 -9.2341 -7.4635 -7.4635 -7.3187 -7.3187 -7.2862 -7.2862 -7.1081 -7.1081 -1.0151 -1.0151 -0.9021 -0.9021 3.2511 3.2511 3.5182 3.5182 3.6851 3.6851 4.4202 4.4202 5.1042 5.1042 5.8373 5.8373 6.2188 6.2188 7.1277 7.1277 7.3093 7.3093 7.8185 7.8185 k = 0.0000 0.3354-0.0000 ( 23858 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2340 -9.2340 -7.4635 -7.4635 -7.3186 -7.3186 -7.2859 -7.2859 -7.1081 -7.1081 -1.0316 -1.0316 -0.8917 -0.8917 3.2561 3.2561 3.5392 3.5392 3.6899 3.6899 4.4270 4.4270 5.0975 5.0975 5.8395 5.8395 6.2038 6.2038 7.1126 7.1126 7.2780 7.2780 7.8017 7.8017 k = 0.0000 0.3209-0.0000 ( 23842 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2339 -9.2339 -7.4635 -7.4635 -7.3185 -7.3185 -7.2853 -7.2853 -7.1080 -7.1080 -1.0508 -1.0508 -0.8810 -0.8810 3.2640 3.2640 3.5676 3.5676 3.6966 3.6966 4.4365 4.4365 5.0881 5.0881 5.8424 5.8424 6.1832 6.1832 7.0928 7.0928 7.2367 7.2367 7.7796 7.7796 k = 0.0000 0.3063-0.0000 ( 23838 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2337 -9.2337 -7.4635 -7.4635 -7.3184 -7.3184 -7.2847 -7.2847 -7.1080 -7.1080 -1.0716 -1.0716 -0.8708 -0.8708 3.2753 3.2753 3.6027 3.6027 3.7051 3.7051 4.4487 4.4487 5.0762 5.0762 5.8460 5.8460 6.1573 6.1573 7.0692 7.0692 7.1873 7.1873 7.7534 7.7534 k = 0.0000 0.2917-0.0000 ( 23856 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3737 -9.3737 -9.2335 -9.2335 -7.4635 -7.4635 -7.3183 -7.3183 -7.2839 -7.2839 -7.1079 -7.1079 -1.0936 -1.0936 -0.8616 -0.8616 3.2903 3.2903 3.6438 3.6438 3.7156 3.7156 4.4634 4.4634 5.0616 5.0616 5.8500 5.8500 6.1265 6.1265 7.0429 7.0429 7.1316 7.1316 7.7241 7.7241 k = 0.0000 0.2771-0.0000 ( 23856 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3737 -9.3737 -9.2333 -9.2333 -7.4635 -7.4635 -7.3181 -7.3181 -7.2830 -7.2830 -7.1078 -7.1078 -1.1161 -1.1161 -0.8536 -0.8536 3.3093 3.3093 3.6903 3.6903 3.7279 3.7279 4.4807 4.4807 5.0446 5.0446 5.8544 5.8544 6.0913 6.0913 7.0147 7.0147 7.0713 7.0713 7.6929 7.6929 k = 0.0000 0.2625-0.0000 ( 23850 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3737 -9.3737 -9.2330 -9.2330 -7.4635 -7.4635 -7.3179 -7.3179 -7.2820 -7.2820 -7.1077 -7.1077 -1.1391 -1.1391 -0.8468 -0.8468 3.3325 3.3325 3.7391 3.7391 3.7445 3.7445 4.5004 4.5004 5.0251 5.0251 5.8589 5.8589 6.0521 6.0521 6.9843 6.9843 7.0088 7.0088 7.6607 7.6607 k = 0.0000 0.2479-0.0000 ( 23844 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3736 -9.3736 -9.2327 -9.2327 -7.4635 -7.4635 -7.3177 -7.3177 -7.2810 -7.2810 -7.1077 -7.1077 -1.1621 -1.1621 -0.8413 -0.8413 3.3599 3.3599 3.7573 3.7573 3.7978 3.7978 4.5225 4.5225 5.0033 5.0033 5.8632 5.8632 6.0091 6.0091 6.9372 6.9372 6.9602 6.9602 7.6283 7.6283 k = 0.0000 0.2334-0.0000 ( 23854 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3736 -9.3736 -9.2324 -9.2324 -7.4635 -7.4635 -7.3175 -7.3175 -7.2798 -7.2798 -7.1076 -7.1076 -1.1849 -1.1849 -0.8370 -0.8370 3.3915 3.3915 3.7749 3.7749 3.8575 3.8575 4.5467 4.5467 4.9793 4.9793 5.8670 5.8670 5.9628 5.9628 6.8713 6.8713 6.9293 6.9293 7.5963 7.5963 k = 0.0000 0.2188-0.0000 ( 23860 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3735 -9.3735 -9.2321 -9.2321 -7.4635 -7.4635 -7.3173 -7.3173 -7.2787 -7.2787 -7.1075 -7.1075 -1.2074 -1.2074 -0.8338 -0.8338 3.4271 3.4271 3.7940 3.7940 3.9206 3.9206 4.5730 4.5730 4.9533 4.9533 5.8701 5.8701 5.9135 5.9135 6.8032 6.8032 6.9004 6.9004 7.5652 7.5652 k = 0.0000 0.2042-0.0000 ( 23856 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6099 -22.6099 -9.3735 -9.3735 -9.2318 -9.2318 -7.4635 -7.4635 -7.3170 -7.3170 -7.2775 -7.2775 -7.1073 -7.1073 -1.2293 -1.2293 -0.8318 -0.8318 3.4666 3.4666 3.8147 3.8147 3.9868 3.9868 4.6012 4.6012 4.9255 4.9255 5.8614 5.8614 5.8722 5.8722 6.7348 6.7348 6.8726 6.8726 7.5353 7.5353 k = 0.0000 0.1896-0.0000 ( 23854 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3734 -9.3734 -9.2314 -9.2314 -7.4635 -7.4635 -7.3167 -7.3167 -7.2763 -7.2763 -7.1072 -7.1072 -1.2505 -1.2505 -0.8306 -0.8306 3.5096 3.5096 3.8369 3.8369 4.0556 4.0556 4.6309 4.6309 4.8960 4.8960 5.8069 5.8069 5.8729 5.8729 6.6666 6.6666 6.8460 6.8460 7.5068 7.5068 k = 0.0000 0.1750-0.0000 ( 23858 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3734 -9.3734 -9.2311 -9.2311 -7.4635 -7.4635 -7.3164 -7.3164 -7.2751 -7.2751 -7.1071 -7.1071 -1.2708 -1.2708 -0.8303 -0.8303 3.5557 3.5557 3.8604 3.8604 4.1265 4.1265 4.6619 4.6619 4.8653 4.8653 5.7503 5.7503 5.8720 5.8720 6.5988 6.5988 6.8208 6.8208 7.4786 7.4786 k = 0.0000 0.1604-0.0000 ( 23866 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3734 -9.3734 -9.2308 -9.2308 -7.4635 -7.4635 -7.3162 -7.3162 -7.2739 -7.2739 -7.1070 -7.1070 -1.2901 -1.2901 -0.8307 -0.8307 3.6044 3.6044 3.8852 3.8852 4.1990 4.1990 4.6937 4.6937 4.8338 4.8338 5.6918 5.6918 5.8691 5.8691 6.5319 6.5319 6.7972 6.7972 7.4381 7.4381 k = 0.0000 0.1458-0.0000 ( 23876 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3733 -9.3733 -9.2305 -9.2305 -7.4636 -7.4636 -7.3159 -7.3159 -7.2728 -7.2728 -7.1069 -7.1069 -1.3081 -1.3081 -0.8316 -0.8316 3.6553 3.6553 3.9110 3.9110 4.2723 4.2723 4.7250 4.7250 4.8027 4.8027 5.6321 5.6321 5.8643 5.8643 6.4659 6.4659 6.7754 6.7754 7.3686 7.3686 k = 0.0000 0.1313-0.0000 ( 23854 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3733 -9.3733 -9.2301 -9.2301 -7.4636 -7.4636 -7.3156 -7.3156 -7.2717 -7.2717 -7.1068 -7.1068 -1.3249 -1.3249 -0.8329 -0.8329 3.7076 3.7076 3.9378 3.9378 4.3459 4.3459 4.7459 4.7459 4.7818 4.7818 5.5716 5.5716 5.8573 5.8573 6.4010 6.4010 6.7553 6.7553 7.2967 7.2967 k = 0.0000 0.1167-0.0000 ( 23860 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3732 -9.3732 -9.2299 -9.2299 -7.4636 -7.4636 -7.3153 -7.3153 -7.2707 -7.2707 -7.1067 -7.1067 -1.3401 -1.3401 -0.8345 -0.8345 3.7605 3.7605 3.9652 3.9652 4.4186 4.4186 4.7265 4.7265 4.8011 4.8011 5.5111 5.5111 5.8483 5.8483 6.3376 6.3376 6.7372 6.7372 7.2283 7.2283 k = 0.0000 0.1021-0.0000 ( 23868 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3732 -9.3732 -9.2296 -9.2296 -7.4636 -7.4636 -7.3151 -7.3151 -7.2697 -7.2697 -7.1066 -7.1066 -1.3539 -1.3539 -0.8363 -0.8363 3.8129 3.8129 3.9930 3.9930 4.4895 4.4895 4.6958 4.6958 4.8316 4.8316 5.4516 5.4516 5.8375 5.8375 6.2761 6.2761 6.7211 6.7211 7.1652 7.1652 k = 0.0000 0.0875-0.0000 ( 23860 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2294 -9.2294 -7.4636 -7.4636 -7.3148 -7.3148 -7.2689 -7.2689 -7.1065 -7.1065 -1.3660 -1.3660 -0.8380 -0.8380 3.8636 3.8636 4.0206 4.0206 4.5561 4.5561 4.6659 4.6659 4.8621 4.8621 5.3941 5.3941 5.8255 5.8255 6.2171 6.2171 6.7070 6.7070 7.1085 7.1085 k = 0.0000 0.0729-0.0000 ( 23838 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2292 -9.2292 -7.4636 -7.4636 -7.3146 -7.3146 -7.2682 -7.2682 -7.1065 -7.1065 -1.3763 -1.3763 -0.8397 -0.8397 3.9112 3.9112 4.0477 4.0477 4.6071 4.6071 4.6484 4.6484 4.8906 4.8906 5.3403 5.3403 5.8130 5.8130 6.1618 6.1618 6.6950 6.6950 7.0593 7.0593 k = 0.0000 0.0583-0.0000 ( 23841 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2290 -9.2290 -7.4636 -7.4636 -7.3145 -7.3145 -7.2676 -7.2676 -7.1064 -7.1064 -1.3849 -1.3849 -0.8412 -0.8412 3.9538 3.9538 4.0732 4.0732 4.5987 4.5987 4.6865 4.6865 4.9161 4.9161 5.2918 5.2918 5.8007 5.8007 6.1117 6.1117 6.6851 6.6851 7.0182 7.0182 k = 0.0000 0.0438-0.0000 ( 23835 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2289 -9.2289 -7.4636 -7.4636 -7.3143 -7.3143 -7.2671 -7.2671 -7.1064 -7.1064 -1.3917 -1.3917 -0.8424 -0.8424 3.9896 3.9896 4.0961 4.0961 4.5768 4.5768 4.7329 4.7329 4.9375 4.9375 5.2507 5.2507 5.7897 5.7897 6.0689 6.0689 6.6774 6.6774 6.9858 6.9858 k = 0.0000 0.0292-0.0000 ( 23831 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2288 -9.2288 -7.4636 -7.4636 -7.3142 -7.3142 -7.2668 -7.2668 -7.1063 -7.1063 -1.3965 -1.3965 -0.8433 -0.8433 4.0167 4.0167 4.1146 4.1146 4.5586 4.5586 4.7696 4.7696 4.9537 4.9537 5.2192 5.2192 5.7809 5.7809 6.0357 6.0357 6.6719 6.6719 6.9625 6.9625 k = 0.0000 0.0146-0.0000 ( 23823 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3731 -9.3731 -9.2287 -9.2287 -7.4636 -7.4636 -7.3141 -7.3141 -7.2665 -7.2665 -7.1063 -7.1063 -1.3994 -1.3994 -0.8439 -0.8439 4.0336 4.0336 4.1269 4.1269 4.5468 4.5468 4.7929 4.7929 4.9638 4.9638 5.1993 5.1993 5.7752 5.7752 6.0146 6.0146 6.6686 6.6686 6.9484 6.9484 k = 0.0000 0.0000 0.0000 ( 23807 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3730 -9.3730 -9.2287 -9.2287 -7.4636 -7.4636 -7.3141 -7.3141 -7.2665 -7.2665 -7.1063 -7.1063 -1.4004 -1.4004 -0.8441 -0.8441 4.0393 4.0393 4.1312 4.1312 4.5426 4.5426 4.8010 4.8010 4.9672 4.9672 5.1925 5.1925 5.7733 5.7733 6.0073 6.0073 6.6674 6.6674 6.9437 6.9437 k = 0.0000 0.0000 0.0000 ( 23807 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6555 -22.6555 -22.6099 -22.6099 -9.3730 -9.3730 -9.2287 -9.2287 -7.4636 -7.4636 -7.3141 -7.3141 -7.2665 -7.2665 -7.1063 -7.1063 -1.4004 -1.4004 -0.8441 -0.8441 4.0393 4.0393 4.1312 4.1312 4.5426 4.5426 4.8010 4.8010 4.9672 4.9672 5.1925 5.1925 5.7733 5.7733 6.0073 6.0073 6.6674 6.6674 6.9437 6.9437 k = 0.0000 0.0000 0.0146 ( 23823 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6030 -40.6030 -22.6554 -22.6554 -22.6100 -22.6100 -9.3729 -9.3729 -9.2288 -9.2288 -7.4634 -7.4634 -7.3142 -7.3142 -7.2664 -7.2664 -7.1066 -7.1066 -1.3994 -1.3994 -0.8444 -0.8444 4.0392 4.0392 4.1286 4.1286 4.5402 4.5402 4.8040 4.8040 4.9678 4.9678 5.1928 5.1928 5.7700 5.7700 6.0119 6.0119 6.6731 6.6731 6.9424 6.9424 k = 0.0000 0.0000 0.0293 ( 23829 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6553 -22.6553 -22.6101 -22.6101 -9.3725 -9.3725 -9.2293 -9.2293 -7.4626 -7.4626 -7.3144 -7.3144 -7.2663 -7.2663 -7.1076 -7.1076 -1.3966 -1.3966 -0.8451 -0.8451 4.0387 4.0387 4.1214 4.1214 4.5330 4.5330 4.8127 4.8127 4.9696 4.9696 5.1938 5.1938 5.7604 5.7604 6.0256 6.0256 6.6897 6.6897 6.9387 6.9387 k = 0.0000 0.0000 0.0439 ( 23831 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6551 -22.6551 -22.6104 -22.6104 -9.3717 -9.3717 -9.2301 -9.2301 -7.4615 -7.4615 -7.3147 -7.3147 -7.2660 -7.2660 -7.1093 -7.1093 -1.3918 -1.3918 -0.8463 -0.8463 4.0376 4.0376 4.1102 4.1102 4.5214 4.5214 4.8261 4.8261 4.9725 4.9725 5.1959 5.1959 5.7452 5.7452 6.0475 6.0475 6.7165 6.7165 6.9330 6.9330 k = 0.0000 0.0000 0.0585 ( 23833 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6547 -22.6547 -22.6107 -22.6107 -9.3707 -9.3707 -9.2312 -9.2312 -7.4598 -7.4598 -7.3152 -7.3152 -7.2656 -7.2656 -7.1116 -7.1116 -1.3853 -1.3853 -0.8480 -0.8480 4.0350 4.0350 4.0968 4.0968 4.5062 4.5062 4.8429 4.8429 4.9765 4.9765 5.1997 5.1997 5.7254 5.7254 6.0765 6.0765 6.7525 6.7525 6.9260 6.9260 k = 0.0000 0.0000 0.0731 ( 23833 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6543 -22.6543 -22.6112 -22.6112 -9.3694 -9.3694 -9.2327 -9.2327 -7.4578 -7.4578 -7.3158 -7.3158 -7.2651 -7.2651 -7.1145 -7.1145 -1.3769 -1.3769 -0.8502 -0.8502 4.0297 4.0297 4.0831 4.0831 4.4883 4.4883 4.8609 4.8609 4.9815 4.9815 5.2060 5.2060 5.7020 5.7020 6.1110 6.1110 6.7965 6.7965 6.9184 6.9184 k = 0.0000 0.0000 0.0878 ( 23845 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6538 -22.6538 -22.6117 -22.6117 -9.3678 -9.3678 -9.2344 -9.2344 -7.4553 -7.4553 -7.3165 -7.3165 -7.2645 -7.2645 -7.1180 -7.1180 -1.3668 -1.3668 -0.8529 -0.8529 4.0200 4.0200 4.0715 4.0715 4.4689 4.4689 4.8782 4.8782 4.9876 4.9876 5.2158 5.2158 5.6761 5.6761 6.1489 6.1489 6.8472 6.8472 6.9112 6.9112 k = 0.0000 0.0000 0.1024 ( 23829 PWs) bands (ev): -40.6314 -40.6314 -40.6295 -40.6295 -40.6048 -40.6048 -40.6031 -40.6031 -22.6532 -22.6532 -22.6123 -22.6123 -9.3660 -9.3660 -9.2364 -9.2364 -7.4523 -7.4523 -7.3174 -7.3174 -7.2638 -7.2638 -7.1220 -7.1220 -1.3551 -1.3551 -0.8563 -0.8563 4.0056 4.0056 4.0628 4.0628 4.4493 4.4493 4.8926 4.8926 4.9946 4.9946 5.2301 5.2301 5.6484 5.6484 6.1880 6.1880 6.9030 6.9030 6.9059 6.9059 k = 0.0000 0.0000 0.1170 ( 23819 PWs) bands (ev): -40.6314 -40.6314 -40.6295 -40.6295 -40.6048 -40.6048 -40.6032 -40.6032 -22.6525 -22.6525 -22.6130 -22.6130 -9.3639 -9.3639 -9.2387 -9.2387 -7.4490 -7.4490 -7.3184 -7.3184 -7.2629 -7.2629 -7.1266 -7.1266 -1.3419 -1.3419 -0.8602 -0.8602 3.9878 3.9878 4.0559 4.0559 4.4308 4.4308 4.9025 4.9025 5.0023 5.0023 5.2496 5.2496 5.6197 5.6197 6.2255 6.2255 6.9015 6.9015 6.9645 6.9645 k = 0.0000 0.0000 0.1317 ( 23835 PWs) bands (ev): -40.6314 -40.6314 -40.6295 -40.6295 -40.6048 -40.6048 -40.6032 -40.6032 -22.6517 -22.6517 -22.6138 -22.6138 -9.3615 -9.3615 -9.2413 -9.2413 -7.4452 -7.4452 -7.3196 -7.3196 -7.2619 -7.2619 -7.1316 -7.1316 -1.3273 -1.3273 -0.8649 -0.8649 3.9687 3.9687 4.0488 4.0488 4.4145 4.4145 4.9072 4.9072 5.0107 5.0107 5.2742 5.2742 5.5906 5.5906 6.2583 6.2583 6.9009 6.9009 7.0288 7.0288 k = 0.0000 0.0000 0.1463 ( 23835 PWs) bands (ev): -40.6313 -40.6313 -40.6296 -40.6296 -40.6047 -40.6047 -40.6032 -40.6032 -22.6508 -22.6508 -22.6147 -22.6147 -9.3588 -9.3588 -9.2442 -9.2442 -7.4411 -7.4411 -7.3209 -7.3209 -7.2608 -7.2608 -7.1370 -7.1370 -1.3115 -1.3115 -0.8702 -0.8702 3.9494 3.9494 4.0404 4.0404 4.4015 4.4015 4.9063 4.9063 5.0198 5.0198 5.3034 5.3034 5.5616 5.5616 6.2833 6.2833 6.9041 6.9041 7.0955 7.0955 k = 0.0000 0.0000 0.1609 ( 23833 PWs) bands (ev): -40.6313 -40.6313 -40.6296 -40.6296 -40.6047 -40.6047 -40.6033 -40.6033 -22.6499 -22.6499 -22.6156 -22.6156 -9.3560 -9.3560 -9.2473 -9.2473 -7.4367 -7.4367 -7.3225 -7.3225 -7.2595 -7.2595 -7.1428 -7.1428 -1.2944 -1.2944 -0.8763 -0.8763 3.9307 3.9307 4.0301 4.0301 4.3925 4.3925 4.9001 4.9001 5.0297 5.0297 5.3360 5.3360 5.5330 5.5330 6.2977 6.2977 6.9120 6.9120 7.1631 7.1631 k = 0.0000 0.0000 0.1756 ( 23825 PWs) bands (ev): -40.6312 -40.6312 -40.6297 -40.6297 -40.6047 -40.6047 -40.6033 -40.6033 -22.6488 -22.6488 -22.6166 -22.6166 -9.3528 -9.3528 -9.2506 -9.2506 -7.4319 -7.4319 -7.3242 -7.3242 -7.2581 -7.2581 -7.1489 -7.1489 -1.2764 -1.2764 -0.8831 -0.8831 3.9131 3.9131 4.0177 4.0177 4.3881 4.3881 4.8894 4.8894 5.0404 5.0404 5.3705 5.3705 5.5055 5.5055 6.2997 6.2997 6.9250 6.9250 7.2297 7.2297 k = 0.0000 0.0000 0.1902 ( 23817 PWs) bands (ev): -40.6312 -40.6312 -40.6297 -40.6297 -40.6046 -40.6046 -40.6034 -40.6034 -22.6478 -22.6478 -22.6177 -22.6177 -9.3495 -9.3495 -9.2542 -9.2542 -7.4269 -7.4269 -7.3261 -7.3261 -7.2565 -7.2565 -7.1552 -7.1552 -1.2575 -1.2575 -0.8908 -0.8908 3.8969 3.8969 4.0033 4.0033 4.3881 4.3881 4.8747 4.8747 5.0519 5.0519 5.4046 5.4046 5.4803 5.4803 6.2890 6.2890 6.9436 6.9436 7.2875 7.2875 k = 0.0000 0.0000 0.2048 ( 23817 PWs) bands (ev): -40.6311 -40.6311 -40.6298 -40.6298 -40.6046 -40.6046 -40.6034 -40.6034 -22.6466 -22.6466 -22.6189 -22.6189 -9.3460 -9.3460 -9.2579 -9.2579 -7.4216 -7.4216 -7.3283 -7.3283 -7.2547 -7.2547 -7.1617 -7.1617 -1.2380 -1.2380 -0.8994 -0.8994 3.8823 3.8823 3.9873 3.9873 4.3926 4.3926 4.8567 4.8567 5.0641 5.0641 5.4274 5.4274 5.4680 5.4680 6.2669 6.2669 6.9678 6.9678 7.3242 7.3242 k = 0.0000 0.0000 0.2194 ( 23791 PWs) bands (ev): -40.6310 -40.6310 -40.6298 -40.6298 -40.6045 -40.6045 -40.6035 -40.6035 -22.6454 -22.6454 -22.6201 -22.6201 -9.3422 -9.3422 -9.2619 -9.2619 -7.4161 -7.4161 -7.3306 -7.3306 -7.2527 -7.2527 -7.1683 -7.1683 -1.2178 -1.2178 -0.9088 -0.9088 3.8696 3.8696 3.9702 3.9702 4.4010 4.4010 4.8359 4.8359 5.0771 5.0771 5.4152 5.4152 5.4916 5.4916 6.2354 6.2354 6.9976 6.9976 7.3580 7.3580 k = 0.0000 0.0000 0.2341 ( 23807 PWs) bands (ev): -40.6310 -40.6310 -40.6299 -40.6299 -40.6045 -40.6045 -40.6035 -40.6035 -22.6441 -22.6441 -22.6214 -22.6214 -9.3383 -9.3383 -9.2660 -9.2660 -7.4104 -7.4104 -7.3333 -7.3333 -7.2505 -7.2505 -7.1750 -7.1750 -1.1973 -1.1973 -0.9192 -0.9192 3.8587 3.8587 3.9528 3.9528 4.4129 4.4129 4.8128 4.8128 5.0907 5.0907 5.3925 5.3925 5.5264 5.5264 6.1971 6.1971 7.0324 7.0324 7.3889 7.3890 k = 0.0000 0.0000 0.2487 ( 23793 PWs) bands (ev): -40.6309 -40.6309 -40.6299 -40.6299 -40.6044 -40.6044 -40.6036 -40.6036 -22.6428 -22.6428 -22.6227 -22.6227 -9.3342 -9.3342 -9.2702 -9.2702 -7.4047 -7.4047 -7.3362 -7.3362 -7.2481 -7.2481 -7.1816 -7.1816 -1.1766 -1.1766 -0.9306 -0.9306 3.8499 3.8499 3.9355 3.9355 4.4280 4.4280 4.7878 4.7878 5.1050 5.1050 5.3689 5.3689 5.5627 5.5627 6.1540 6.1540 7.0713 7.0713 7.4125 7.4125 k = 0.0000 0.0000 0.2633 ( 23793 PWs) bands (ev): -40.6309 -40.6309 -40.6300 -40.6300 -40.6043 -40.6043 -40.6036 -40.6036 -22.6415 -22.6415 -22.6240 -22.6240 -9.3300 -9.3300 -9.2746 -9.2746 -7.3988 -7.3988 -7.3394 -7.3394 -7.2454 -7.2454 -7.1882 -7.1882 -1.1557 -1.1557 -0.9429 -0.9429 3.8431 3.8431 3.9187 3.9187 4.4457 4.4457 4.7614 4.7614 5.1199 5.1199 5.3458 5.3458 5.5993 5.5993 6.1082 6.1082 7.1134 7.1134 7.4262 7.4262 k = 0.0000 0.0000 0.2780 ( 23799 PWs) bands (ev): -40.6308 -40.6308 -40.6301 -40.6301 -40.6043 -40.6043 -40.6037 -40.6037 -22.6401 -22.6401 -22.6254 -22.6254 -9.3257 -9.3257 -9.2791 -9.2791 -7.3929 -7.3929 -7.3429 -7.3429 -7.2424 -7.2424 -7.1946 -7.1946 -1.1350 -1.1350 -0.9562 -0.9562 3.8384 3.8384 3.9028 3.9028 4.4658 4.4658 4.7339 4.7339 5.1354 5.1354 5.3233 5.3233 5.6362 5.6362 6.0610 6.0610 7.1570 7.1570 7.4301 7.4301 k = 0.0000 0.0000 0.2926 ( 23794 PWs) bands (ev): -40.6307 -40.6307 -40.6301 -40.6301 -40.6042 -40.6042 -40.6037 -40.6037 -22.6387 -22.6387 -22.6269 -22.6269 -9.3212 -9.3212 -9.2837 -9.2837 -7.3871 -7.3871 -7.3467 -7.3467 -7.2392 -7.2392 -7.2008 -7.2008 -1.1144 -1.1144 -0.9704 -0.9704 3.8358 3.8358 3.8883 3.8883 4.4879 4.4879 4.7056 4.7056 5.1514 5.1514 5.3015 5.3015 5.6735 5.6735 6.0136 6.0136 7.2006 7.2006 7.4256 7.4256 k = 0.0000 0.0000 0.3072 ( 23788 PWs) bands (ev): -40.6306 -40.6306 -40.6302 -40.6302 -40.6042 -40.6042 -40.6038 -40.6038 -22.6372 -22.6372 -22.6283 -22.6283 -9.3166 -9.3166 -9.2884 -9.2884 -7.3813 -7.3813 -7.3508 -7.3508 -7.2356 -7.2356 -7.2067 -7.2067 -1.0942 -1.0942 -0.9856 -0.9856 3.8353 3.8353 3.8752 3.8752 4.5118 4.5118 4.6769 4.6769 5.1681 5.1681 5.2805 5.2805 5.7116 5.7116 5.9666 5.9666 7.2427 7.2427 7.4143 7.4143 k = 0.0000 0.0000 0.3219 ( 23794 PWs) bands (ev): -40.6306 -40.6306 -40.6303 -40.6303 -40.6041 -40.6041 -40.6039 -40.6039 -22.6357 -22.6357 -22.6298 -22.6298 -9.3120 -9.3120 -9.2931 -9.2931 -7.3757 -7.3757 -7.3552 -7.3552 -7.2316 -7.2316 -7.2124 -7.2124 -1.0744 -1.0744 -1.0018 -1.0018 3.8369 3.8369 3.8637 3.8637 4.5371 4.5371 4.6481 4.6481 5.1853 5.1853 5.2601 5.2601 5.7507 5.7507 5.9206 5.9206 7.2819 7.2819 7.3973 7.3973 k = 0.0000 0.0000 0.3365 ( 23798 PWs) bands (ev): -40.6305 -40.6305 -40.6304 -40.6304 -40.6041 -40.6041 -40.6039 -40.6039 -22.6342 -22.6342 -22.6313 -22.6313 -9.3073 -9.3073 -9.2978 -9.2978 -7.3702 -7.3702 -7.3600 -7.3600 -7.2274 -7.2274 -7.2177 -7.2177 -1.0552 -1.0552 -1.0188 -1.0188 3.8406 3.8406 3.8541 3.8541 4.5637 4.5637 4.6194 4.6194 5.2031 5.2031 5.2405 5.2405 5.7910 5.7910 5.8759 5.8759 7.3173 7.3173 7.3753 7.3753 k = 0.0000 0.0000 0.3511 ( 23806 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3026 -9.3026 -9.3026 -9.3026 -7.3650 -7.3650 -7.3650 -7.3650 -7.2227 -7.2227 -7.2227 -7.2227 -1.0366 -1.0366 -1.0366 -1.0366 3.8464 3.8464 3.8464 3.8464 4.5912 4.5912 4.5912 4.5912 5.2214 5.2214 5.2214 5.2214 5.8327 5.8327 5.8327 5.8327 7.3485 7.3485 7.3485 7.3485 k = 0.0000 0.0000 0.3511 ( 23806 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3026 -9.3026 -9.3026 -9.3026 -7.3650 -7.3650 -7.3650 -7.3650 -7.2227 -7.2227 -7.2227 -7.2227 -1.0366 -1.0366 -1.0366 -1.0366 3.8464 3.8464 3.8464 3.8464 4.5912 4.5912 4.5912 4.5912 5.2214 5.2214 5.2214 5.2214 5.8327 5.8327 5.8327 5.8327 7.3485 7.3485 7.3485 7.3485 k = 0.0147-0.0000 0.3511 ( 23792 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3031 -9.3031 -9.3023 -9.3023 -7.3708 -7.3708 -7.3592 -7.3592 -7.2282 -7.2282 -7.2176 -7.2176 -1.0365 -1.0365 -1.0353 -1.0353 3.8451 3.8451 3.8457 3.8457 4.5897 4.5897 4.5939 4.5939 5.2111 5.2111 5.2214 5.2214 5.8309 5.8309 5.8324 5.8324 7.3492 7.3492 7.3582 7.3582 k = 0.0294-0.0000 0.3511 ( 23796 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3037 -9.3037 -9.3021 -9.3021 -7.3767 -7.3767 -7.3534 -7.3534 -7.2340 -7.2340 -7.2129 -7.2129 -1.0350 -1.0350 -1.0326 -1.0326 3.8420 3.8420 3.8431 3.8431 4.5896 4.5896 4.5977 4.5977 5.1910 5.1910 5.2109 5.2109 5.8274 5.8274 5.8301 5.8301 7.3589 7.3589 7.3773 7.3773 k = 0.0441-0.0000 0.3511 ( 23776 PWs) bands (ev): -40.6303 -40.6303 -40.6303 -40.6303 -40.6041 -40.6041 -40.6041 -40.6041 -22.6326 -22.6326 -22.6326 -22.6326 -9.3045 -9.3045 -9.3021 -9.3021 -7.3825 -7.3825 -7.3477 -7.3477 -7.2402 -7.2402 -7.2086 -7.2086 -1.0321 -1.0321 -1.0286 -1.0286 3.8366 3.8366 3.8385 3.8385 4.5908 4.5908 4.6027 4.6027 5.1622 5.1622 5.1909 5.1909 5.8221 5.8221 5.8256 5.8256 7.3738 7.3738 7.4023 7.4023 k = 0.0588-0.0000 0.3511 ( 23774 PWs) bands (ev): -40.6302 -40.6302 -40.6302 -40.6302 -40.6042 -40.6042 -40.6042 -40.6042 -22.6325 -22.6325 -22.6325 -22.6325 -9.3054 -9.3054 -9.3023 -9.3023 -7.3884 -7.3884 -7.3421 -7.3421 -7.2467 -7.2467 -7.2046 -7.2046 -1.0278 -1.0278 -1.0232 -1.0232 3.8290 3.8290 3.8316 3.8316 4.5934 4.5934 4.6085 4.6085 5.1264 5.1264 5.1626 5.1626 5.8153 5.8153 5.8192 5.8192 7.3874 7.3874 7.4237 7.4237 k = 0.0735-0.0000 0.3511 ( 23792 PWs) bands (ev): -40.6301 -40.6301 -40.6301 -40.6301 -40.6043 -40.6043 -40.6043 -40.6043 -22.6324 -22.6324 -22.6324 -22.6324 -9.3065 -9.3065 -9.3026 -9.3026 -7.3943 -7.3943 -7.3365 -7.3365 -7.2535 -7.2535 -7.2010 -7.2010 -1.0222 -1.0222 -1.0165 -1.0165 3.8188 3.8188 3.8223 3.8223 4.5973 4.5973 4.6152 4.6152 5.0853 5.0853 5.1276 5.1276 5.8073 5.8073 5.8111 5.8111 7.3923 7.3923 7.4292 7.4292 k = 0.0882-0.0000 0.3511 ( 23800 PWs) bands (ev): -40.6299 -40.6299 -40.6299 -40.6299 -40.6045 -40.6045 -40.6045 -40.6045 -22.6322 -22.6322 -22.6322 -22.6322 -9.3077 -9.3077 -9.3031 -9.3031 -7.4001 -7.4001 -7.3311 -7.3311 -7.2606 -7.2606 -7.1978 -7.1978 -1.0153 -1.0153 -1.0085 -1.0085 3.8057 3.8057 3.8101 3.8101 4.6023 4.6023 4.6224 4.6224 5.0406 5.0406 5.0877 5.0877 5.7983 5.7983 5.8019 5.8019 7.3849 7.3849 7.4164 7.4164 k = 0.1029-0.0000 0.3511 ( 23804 PWs) bands (ev): -40.6297 -40.6297 -40.6297 -40.6297 -40.6047 -40.6047 -40.6047 -40.6047 -22.6320 -22.6320 -22.6320 -22.6320 -9.3090 -9.3090 -9.3038 -9.3038 -7.4059 -7.4059 -7.3258 -7.3258 -7.2679 -7.2679 -7.1949 -7.1949 -1.0071 -1.0071 -0.9994 -0.9994 3.7894 3.7894 3.7949 3.7949 4.6085 4.6085 4.6299 4.6299 4.9938 4.9938 5.0445 5.0445 5.7890 5.7890 5.7924 5.7924 7.3661 7.3661 7.3910 7.3910 k = 0.1176-0.0000 0.3511 ( 23784 PWs) bands (ev): -40.6295 -40.6295 -40.6295 -40.6295 -40.6049 -40.6049 -40.6049 -40.6049 -22.6318 -22.6318 -22.6318 -22.6318 -9.3104 -9.3104 -9.3046 -9.3046 -7.4116 -7.4116 -7.3206 -7.3206 -7.2753 -7.2753 -7.1923 -7.1923 -0.9978 -0.9978 -0.9890 -0.9890 3.7697 3.7697 3.7763 3.7763 4.6155 4.6155 4.6375 4.6375 4.9466 4.9466 4.9994 4.9994 5.7800 5.7800 5.7834 5.7834 7.3384 7.3384 7.3571 7.3571 k = 0.1324-0.0000 0.3511 ( 23806 PWs) bands (ev): -40.6293 -40.6293 -40.6293 -40.6293 -40.6051 -40.6051 -40.6051 -40.6051 -22.6316 -22.6316 -22.6316 -22.6316 -9.3120 -9.3120 -9.3056 -9.3056 -7.4172 -7.4172 -7.3159 -7.3159 -7.2827 -7.2827 -7.1901 -7.1901 -0.9872 -0.9872 -0.9776 -0.9776 3.7464 3.7464 3.7539 3.7539 4.6231 4.6231 4.6449 4.6449 4.9000 4.9000 4.9540 4.9540 5.7720 5.7720 5.7757 5.7757 7.3041 7.3041 7.3173 7.3173 k = 0.1471-0.0000 0.3511 ( 23810 PWs) bands (ev): -40.6290 -40.6290 -40.6290 -40.6290 -40.6054 -40.6054 -40.6054 -40.6054 -22.6314 -22.6314 -22.6314 -22.6314 -9.3136 -9.3136 -9.3067 -9.3067 -7.4228 -7.4228 -7.3121 -7.3121 -7.2894 -7.2894 -7.1881 -7.1881 -0.9756 -0.9756 -0.9652 -0.9652 3.7194 3.7194 3.7277 3.7277 4.6308 4.6308 4.6515 4.6515 4.8551 4.8551 4.9092 4.9092 5.7658 5.7658 5.7703 5.7703 7.2647 7.2647 7.2732 7.2732 k = 0.1618-0.0000 0.3511 ( 23820 PWs) bands (ev): -40.6288 -40.6288 -40.6288 -40.6288 -40.6057 -40.6057 -40.6057 -40.6057 -22.6311 -22.6311 -22.6311 -22.6311 -9.3153 -9.3153 -9.3080 -9.3080 -7.4282 -7.4282 -7.3111 -7.3111 -7.2937 -7.2937 -7.1865 -7.1865 -0.9630 -0.9630 -0.9518 -0.9518 3.6887 3.6887 3.6975 3.6975 4.6380 4.6380 4.6569 4.6569 4.8130 4.8130 4.8662 4.8662 5.7620 5.7620 5.7679 5.7679 7.2220 7.2220 7.2262 7.2262 k = 0.1765-0.0000 0.3511 ( 23832 PWs) bands (ev): -40.6285 -40.6285 -40.6285 -40.6285 -40.6060 -40.6060 -40.6060 -40.6060 -22.6308 -22.6308 -22.6308 -22.6308 -9.3171 -9.3171 -9.3093 -9.3093 -7.4334 -7.4334 -7.3149 -7.3149 -7.2932 -7.2932 -7.1852 -7.1852 -0.9494 -0.9494 -0.9376 -0.9376 3.6545 3.6545 3.6635 3.6635 4.6438 4.6438 4.6602 4.6602 4.7746 4.7746 4.8260 4.8260 5.7615 5.7615 5.7691 5.7691 7.1769 7.1769 7.1775 7.1776 k = 0.1912-0.0000 0.3511 ( 23818 PWs) bands (ev): -40.6281 -40.6281 -40.6281 -40.6281 -40.6063 -40.6063 -40.6063 -40.6063 -22.6305 -22.6305 -22.6305 -22.6305 -9.3189 -9.3189 -9.3108 -9.3108 -7.4385 -7.4385 -7.3219 -7.3219 -7.2898 -7.2898 -7.1841 -7.1841 -0.9350 -0.9350 -0.9227 -0.9227 3.6169 3.6169 3.6259 3.6259 4.6468 4.6468 4.6595 4.6595 4.7419 4.7419 4.7901 4.7901 5.7647 5.7647 5.7746 5.7746 7.1281 7.1281 7.1306 7.1306 k = 0.2059-0.0000 0.3511 ( 23810 PWs) bands (ev): -40.6278 -40.6278 -40.6278 -40.6278 -40.6067 -40.6067 -40.6067 -40.6067 -22.6302 -22.6302 -22.6302 -22.6302 -9.3207 -9.3207 -9.3124 -9.3124 -7.4434 -7.4434 -7.3299 -7.3299 -7.2855 -7.2855 -7.1832 -7.1832 -0.9199 -0.9199 -0.9071 -0.9071 3.5765 3.5765 3.5850 3.5850 4.6448 4.6448 4.6512 4.6512 4.7184 4.7184 4.7606 4.7606 5.7719 5.7719 5.7846 5.7846 7.0785 7.0785 7.0838 7.0838 k = 0.2206-0.0000 0.3511 ( 23814 PWs) bands (ev): -40.6274 -40.6274 -40.6274 -40.6274 -40.6070 -40.6070 -40.6070 -40.6070 -22.6299 -22.6299 -22.6299 -22.6299 -9.3226 -9.3226 -9.3141 -9.3141 -7.4481 -7.4481 -7.3383 -7.3383 -7.2810 -7.2810 -7.1826 -7.1826 -0.9042 -0.9042 -0.8910 -0.8910 3.5336 3.5336 3.5415 3.5415 4.6328 4.6328 4.6347 4.6347 4.7063 4.7063 4.7404 4.7404 5.7836 5.7836 5.7993 5.7993 7.0295 7.0295 7.0372 7.0372 k = 0.2353-0.0000 0.3511 ( 23834 PWs) bands (ev): -40.6270 -40.6270 -40.6270 -40.6270 -40.6074 -40.6074 -40.6074 -40.6074 -22.6296 -22.6296 -22.6296 -22.6296 -9.3245 -9.3245 -9.3159 -9.3159 -7.4525 -7.4525 -7.3469 -7.3469 -7.2763 -7.2763 -7.1823 -7.1823 -0.8880 -0.8880 -0.8745 -0.8745 3.4887 3.4887 3.4958 3.4958 4.6081 4.6081 4.6161 4.6161 4.7018 4.7018 4.7298 4.7298 5.7996 5.7996 5.8186 5.8186 6.9816 6.9816 6.9914 6.9914 k = 0.2500-0.0000 0.3511 ( 23834 PWs) bands (ev): -40.6266 -40.6266 -40.6266 -40.6266 -40.6079 -40.6079 -40.6079 -40.6079 -22.6292 -22.6292 -22.6292 -22.6292 -9.3264 -9.3264 -9.3177 -9.3177 -7.4567 -7.4567 -7.3555 -7.3555 -7.2717 -7.2717 -7.1821 -7.1821 -0.8714 -0.8714 -0.8578 -0.8578 3.4425 3.4425 3.4485 3.4485 4.5816 4.5816 4.5917 4.5917 4.7002 4.7002 4.7257 4.7257 5.8199 5.8199 5.8422 5.8422 6.9350 6.9350 6.9468 6.9468 k = 0.2647-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6261 -40.6261 -40.6261 -40.6261 -40.6083 -40.6083 -40.6083 -40.6083 -22.6289 -22.6289 -22.6289 -22.6289 -9.3282 -9.3282 -9.3196 -9.3196 -7.4605 -7.4605 -7.3641 -7.3641 -7.2670 -7.2670 -7.1822 -7.1822 -0.8545 -0.8545 -0.8409 -0.8409 3.3955 3.3955 3.4005 3.4005 4.5552 4.5552 4.5650 4.5650 4.6997 4.6997 4.7249 4.7249 5.8441 5.8441 5.8696 5.8696 6.8903 6.8903 6.9037 6.9037 k = 0.2794-0.0000 0.3511 ( 23824 PWs) bands (ev): -40.6257 -40.6257 -40.6257 -40.6257 -40.6088 -40.6088 -40.6088 -40.6088 -22.6286 -22.6286 -22.6286 -22.6286 -9.3300 -9.3300 -9.3216 -9.3216 -7.4640 -7.4640 -7.3726 -7.3726 -7.2625 -7.2625 -7.1825 -7.1825 -0.8375 -0.8375 -0.8240 -0.8240 3.3483 3.3483 3.3522 3.3522 4.5294 4.5294 4.5378 4.5378 4.6995 4.6995 4.7252 4.7252 5.8718 5.8718 5.9004 5.9004 6.8475 6.8475 6.8625 6.8625 k = 0.2941-0.0000 0.3511 ( 23820 PWs) bands (ev): -40.6252 -40.6252 -40.6252 -40.6252 -40.6092 -40.6092 -40.6092 -40.6092 -22.6283 -22.6283 -22.6283 -22.6283 -9.3318 -9.3318 -9.3235 -9.3235 -7.4672 -7.4672 -7.3810 -7.3810 -7.2580 -7.2580 -7.1829 -7.1829 -0.8206 -0.8206 -0.8072 -0.8072 3.3014 3.3014 3.3043 3.3043 4.5044 4.5044 4.5111 4.5111 4.6994 4.6994 4.7258 4.7258 5.9025 5.9025 5.9337 5.9337 6.8070 6.8070 6.8233 6.8233 k = 0.3088-0.0000 0.3511 ( 23820 PWs) bands (ev): -40.6247 -40.6247 -40.6247 -40.6247 -40.6097 -40.6097 -40.6097 -40.6097 -22.6280 -22.6280 -22.6280 -22.6280 -9.3334 -9.3334 -9.3254 -9.3254 -7.4701 -7.4701 -7.3893 -7.3893 -7.2536 -7.2536 -7.1835 -7.1835 -0.8039 -0.8039 -0.7908 -0.7908 3.2555 3.2555 3.2574 3.2574 4.4805 4.4805 4.4855 4.4855 4.6995 4.6995 4.7262 4.7262 5.9354 5.9354 5.9690 5.9690 6.7688 6.7688 6.7864 6.7864 k = 0.3235-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6242 -40.6242 -40.6242 -40.6242 -40.6102 -40.6102 -40.6102 -40.6102 -22.6277 -22.6277 -22.6277 -22.6277 -9.3350 -9.3350 -9.3273 -9.3273 -7.4725 -7.4725 -7.3973 -7.3973 -7.2493 -7.2493 -7.1844 -7.1844 -0.7874 -0.7874 -0.7748 -0.7748 3.2109 3.2109 3.2119 3.2119 4.4577 4.4577 4.4610 4.4610 4.6997 4.6997 4.7264 4.7264 5.9698 5.9698 6.0053 6.0053 6.7332 6.7332 6.7518 6.7518 k = 0.3382-0.0000 0.3511 ( 23832 PWs) bands (ev): -40.6236 -40.6236 -40.6236 -40.6236 -40.6108 -40.6108 -40.6108 -40.6108 -22.6274 -22.6274 -22.6274 -22.6274 -9.3365 -9.3365 -9.3292 -9.3292 -7.4746 -7.4746 -7.4050 -7.4050 -7.2451 -7.2451 -7.1853 -7.1853 -0.7715 -0.7715 -0.7594 -0.7594 3.1681 3.1681 3.1684 3.1684 4.4361 4.4361 4.4381 4.4381 4.7001 4.7001 4.7263 4.7263 6.0051 6.0051 6.0419 6.0419 6.7003 6.7003 6.7198 6.7198 k = 0.3529-0.0000 0.3511 ( 23824 PWs) bands (ev): -40.6231 -40.6231 -40.6231 -40.6231 -40.6113 -40.6113 -40.6113 -40.6113 -22.6271 -22.6271 -22.6271 -22.6271 -9.3379 -9.3379 -9.3310 -9.3310 -7.4762 -7.4762 -7.4125 -7.4125 -7.2410 -7.2410 -7.1865 -7.1865 -0.7562 -0.7562 -0.7448 -0.7448 3.1273 3.1273 3.1276 3.1276 4.4158 4.4158 4.4166 4.4166 4.7007 4.7007 4.7259 4.7259 6.0405 6.0405 6.0781 6.0781 6.6702 6.6702 6.6903 6.6903 k = 0.3676-0.0000 0.3511 ( 23820 PWs) bands (ev): -40.6226 -40.6226 -40.6226 -40.6226 -40.6119 -40.6119 -40.6119 -40.6119 -22.6268 -22.6268 -22.6268 -22.6268 -9.3391 -9.3391 -9.3328 -9.3328 -7.4774 -7.4774 -7.4197 -7.4197 -7.2370 -7.2370 -7.1878 -7.1878 -0.7417 -0.7417 -0.7310 -0.7310 3.0890 3.0890 3.0898 3.0898 4.3969 4.3969 4.3969 4.3969 4.7014 4.7014 4.7252 4.7252 6.0753 6.0753 6.1130 6.1130 6.6429 6.6429 6.6633 6.6633 k = 0.3824-0.0000 0.3511 ( 23826 PWs) bands (ev): -40.6220 -40.6220 -40.6220 -40.6220 -40.6124 -40.6124 -40.6124 -40.6124 -22.6266 -22.6266 -22.6266 -22.6266 -9.3402 -9.3402 -9.3344 -9.3344 -7.4782 -7.4782 -7.4266 -7.4266 -7.2331 -7.2331 -7.1893 -7.1893 -0.7282 -0.7282 -0.7184 -0.7184 3.0538 3.0538 3.0549 3.0549 4.3790 4.3790 4.3796 4.3796 4.7023 4.7023 4.7243 4.7243 6.1088 6.1088 6.1459 6.1459 6.6185 6.6185 6.6391 6.6391 k = 0.3971-0.0000 0.3511 ( 23822 PWs) bands (ev): -40.6214 -40.6214 -40.6214 -40.6214 -40.6130 -40.6130 -40.6130 -40.6130 -22.6264 -22.6264 -22.6264 -22.6264 -9.3412 -9.3412 -9.3360 -9.3360 -7.4785 -7.4785 -7.4331 -7.4331 -7.2293 -7.2293 -7.1909 -7.1909 -0.7157 -0.7157 -0.7069 -0.7069 3.0221 3.0221 3.0234 3.0234 4.3630 4.3630 4.3639 4.3639 4.7034 4.7034 4.7233 4.7233 6.1404 6.1404 6.1761 6.1761 6.5972 6.5972 6.6175 6.6175 k = 0.4118-0.0000 0.3511 ( 23834 PWs) bands (ev): -40.6208 -40.6208 -40.6208 -40.6208 -40.6136 -40.6136 -40.6136 -40.6136 -22.6262 -22.6262 -22.6262 -22.6262 -9.3419 -9.3419 -9.3374 -9.3374 -7.4783 -7.4783 -7.4393 -7.4393 -7.2257 -7.2257 -7.1927 -7.1927 -0.7045 -0.7045 -0.6967 -0.6967 2.9941 2.9941 2.9954 2.9954 4.3489 4.3489 4.3500 4.3500 4.7045 4.7045 4.7220 4.7220 6.1695 6.1695 6.2031 6.2031 6.5789 6.5789 6.5985 6.5985 k = 0.4265-0.0000 0.3511 ( 23818 PWs) bands (ev): -40.6202 -40.6202 -40.6202 -40.6202 -40.6142 -40.6142 -40.6142 -40.6142 -22.6261 -22.6261 -22.6261 -22.6261 -9.3426 -9.3426 -9.3387 -9.3387 -7.4776 -7.4776 -7.4450 -7.4450 -7.2222 -7.2222 -7.1947 -7.1947 -0.6946 -0.6946 -0.6880 -0.6880 2.9700 2.9700 2.9713 2.9713 4.3369 4.3369 4.3381 4.3381 4.7058 4.7058 4.7207 4.7207 6.1957 6.1957 6.2261 6.2261 6.5639 6.5639 6.5820 6.5820 k = 0.4412-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6196 -40.6196 -40.6196 -40.6196 -40.6148 -40.6148 -40.6148 -40.6148 -22.6259 -22.6259 -22.6259 -22.6259 -9.3430 -9.3430 -9.3399 -9.3399 -7.4765 -7.4765 -7.4503 -7.4503 -7.2188 -7.2188 -7.1968 -7.1968 -0.6863 -0.6863 -0.6809 -0.6809 2.9500 2.9500 2.9512 2.9512 4.3271 4.3271 4.3281 4.3281 4.7072 4.7072 4.7193 4.7193 6.2185 6.2185 6.2447 6.2447 6.5522 6.5522 6.5681 6.5681 k = 0.4559-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6190 -40.6190 -40.6190 -40.6190 -40.6154 -40.6154 -40.6154 -40.6154 -22.6258 -22.6258 -22.6258 -22.6258 -9.3432 -9.3432 -9.3409 -9.3409 -7.4749 -7.4749 -7.4552 -7.4552 -7.2156 -7.2156 -7.1990 -7.1990 -0.6795 -0.6795 -0.6754 -0.6754 2.9344 2.9344 2.9354 2.9354 4.3194 4.3194 4.3203 4.3203 4.7086 4.7086 4.7178 4.7178 6.2376 6.2376 6.2585 6.2585 6.5437 6.5437 6.5567 6.5567 k = 0.4706-0.0000 0.3511 ( 23836 PWs) bands (ev): -40.6184 -40.6184 -40.6184 -40.6184 -40.6160 -40.6160 -40.6160 -40.6160 -22.6258 -22.6258 -22.6258 -22.6258 -9.3433 -9.3433 -9.3417 -9.3417 -7.4728 -7.4728 -7.4597 -7.4597 -7.2124 -7.2124 -7.2014 -7.2014 -0.6744 -0.6744 -0.6716 -0.6716 2.9232 2.9232 2.9239 2.9239 4.3139 4.3139 4.3146 4.3146 4.7101 4.7101 4.7163 4.7163 6.2526 6.2526 6.2673 6.2673 6.5385 6.5385 6.5478 6.5478 k = 0.4853-0.0000 0.3511 ( 23830 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6257 -22.6257 -22.6257 -22.6257 -9.3432 -9.3432 -9.3424 -9.3424 -7.4702 -7.4702 -7.4637 -7.4637 -7.2095 -7.2095 -7.2040 -7.2040 -0.6710 -0.6710 -0.6696 -0.6696 2.9165 2.9165 2.9169 2.9169 4.3107 4.3107 4.3110 4.3110 4.7116 4.7116 4.7147 4.7147 6.2634 6.2634 6.2709 6.2709 6.5366 6.5366 6.5414 6.5414 k = 0.5000-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2066 -7.2066 -7.2066 -7.2066 -0.6694 -0.6694 -0.6694 -0.6694 2.9144 2.9144 2.9144 2.9144 4.3098 4.3098 4.3098 4.3098 4.7132 4.7132 4.7132 4.7132 6.2696 6.2696 6.2696 6.2696 6.5376 6.5376 6.5376 6.5376 k = 0.5000-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2066 -7.2066 -7.2066 -7.2066 -0.6694 -0.6694 -0.6694 -0.6694 2.9144 2.9144 2.9144 2.9144 4.3098 4.3098 4.3098 4.3098 4.7132 4.7132 4.7132 4.7132 6.2696 6.2696 6.2696 6.2696 6.5376 6.5376 6.5376 6.5376 k = 0.5000 0.0146 0.3511 ( 23840 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2067 -7.2067 -7.2067 -7.2067 -0.6698 -0.6698 -0.6698 -0.6698 2.9161 2.9161 2.9161 2.9161 4.3112 4.3112 4.3112 4.3112 4.7120 4.7120 4.7120 4.7120 6.2704 6.2704 6.2704 6.2704 6.5376 6.5376 6.5376 6.5376 k = 0.5000 0.0292 0.3511 ( 23824 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2067 -7.2067 -7.2067 -7.2067 -0.6709 -0.6709 -0.6709 -0.6709 2.9210 2.9210 2.9210 2.9210 4.3155 4.3155 4.3155 4.3155 4.7084 4.7084 4.7084 4.7084 6.2730 6.2730 6.2730 6.2730 6.5376 6.5376 6.5376 6.5376 k = 0.5000 0.0438 0.3511 ( 23820 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2069 -7.2069 -7.2069 -7.2069 -0.6727 -0.6727 -0.6727 -0.6727 2.9291 2.9291 2.9291 2.9291 4.3225 4.3225 4.3225 4.3225 4.7025 4.7025 4.7025 4.7025 6.2773 6.2773 6.2773 6.2773 6.5378 6.5378 6.5378 6.5378 k = 0.5000 0.0583 0.3511 ( 23812 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4671 -7.4671 -7.4671 -7.4671 -7.2070 -7.2070 -7.2070 -7.2070 -0.6753 -0.6753 -0.6753 -0.6753 2.9405 2.9405 2.9405 2.9405 4.3323 4.3323 4.3323 4.3323 4.6941 4.6941 4.6941 4.6941 6.2835 6.2835 6.2835 6.2835 6.5384 6.5384 6.5384 6.5384 k = 0.5000 0.0729 0.3511 ( 23792 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3430 -9.3430 -9.3430 -9.3430 -7.4671 -7.4671 -7.4671 -7.4671 -7.2072 -7.2072 -7.2072 -7.2072 -0.6784 -0.6784 -0.6784 -0.6784 2.9551 2.9551 2.9551 2.9551 4.3446 4.3446 4.3446 4.3446 4.6832 4.6832 4.6832 4.6832 6.2914 6.2914 6.2914 6.2914 6.5395 6.5395 6.5395 6.5395 k = 0.5000 0.0875 0.3511 ( 23792 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3430 -9.3430 -9.3430 -9.3430 -7.4671 -7.4671 -7.4671 -7.4671 -7.2075 -7.2075 -7.2075 -7.2075 -0.6822 -0.6822 -0.6822 -0.6822 2.9728 2.9728 2.9728 2.9728 4.3592 4.3592 4.3592 4.3592 4.6697 4.6697 4.6697 4.6697 6.3013 6.3013 6.3013 6.3013 6.5416 6.5416 6.5416 6.5416 k = 0.5000 0.1021 0.3511 ( 23768 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3430 -9.3430 -9.3430 -9.3430 -7.4671 -7.4671 -7.4671 -7.4671 -7.2077 -7.2077 -7.2077 -7.2077 -0.6865 -0.6865 -0.6865 -0.6865 2.9935 2.9935 2.9935 2.9935 4.3760 4.3760 4.3760 4.3760 4.6536 4.6536 4.6536 4.6536 6.3131 6.3131 6.3131 6.3131 6.5450 6.5450 6.5450 6.5450 k = 0.5000 0.1167 0.3511 ( 23748 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3431 -9.3431 -9.3431 -9.3431 -7.4670 -7.4670 -7.4670 -7.4670 -7.2080 -7.2080 -7.2080 -7.2080 -0.6913 -0.6913 -0.6913 -0.6913 3.0173 3.0173 3.0173 3.0173 4.3946 4.3946 4.3946 4.3946 4.6348 4.6348 4.6348 4.6348 6.3271 6.3271 6.3271 6.3271 6.5500 6.5500 6.5500 6.5500 k = 0.5000 0.1313 0.3511 ( 23756 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3431 -9.3431 -9.3431 -9.3431 -7.4670 -7.4670 -7.4670 -7.4670 -7.2084 -7.2084 -7.2084 -7.2084 -0.6964 -0.6964 -0.6964 -0.6964 3.0440 3.0440 3.0440 3.0440 4.4147 4.4147 4.4147 4.4147 4.6133 4.6133 4.6133 4.6133 6.3431 6.3431 6.3431 6.3431 6.5570 6.5570 6.5570 6.5570 k = 0.5000 0.1458 0.3511 ( 23752 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3432 -9.3432 -9.3432 -9.3432 -7.4669 -7.4669 -7.4669 -7.4669 -7.2087 -7.2087 -7.2087 -7.2087 -0.7019 -0.7019 -0.7019 -0.7019 3.0736 3.0736 3.0736 3.0736 4.4358 4.4358 4.4358 4.4358 4.5894 4.5894 4.5894 4.5894 6.3615 6.3615 6.3615 6.3615 6.5664 6.5664 6.5664 6.5664 k = 0.5000 0.1604 0.3511 ( 23768 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3432 -9.3432 -9.3432 -9.3432 -7.4669 -7.4669 -7.4669 -7.4669 -7.2091 -7.2091 -7.2091 -7.2091 -0.7076 -0.7076 -0.7076 -0.7076 3.1058 3.1058 3.1058 3.1058 4.4570 4.4570 4.4570 4.4570 4.5636 4.5636 4.5636 4.5636 6.3822 6.3822 6.3822 6.3822 6.5786 6.5786 6.5786 6.5786 k = 0.5000 0.1750 0.3511 ( 23764 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3433 -9.3433 -9.3433 -9.3433 -7.4668 -7.4668 -7.4668 -7.4668 -7.2095 -7.2095 -7.2095 -7.2095 -0.7135 -0.7135 -0.7135 -0.7135 3.1407 3.1407 3.1407 3.1407 4.4751 4.4751 4.4751 4.4751 4.5385 4.5385 4.5385 4.5385 6.4053 6.4053 6.4053 6.4053 6.5939 6.5939 6.5939 6.5939 k = 0.5000 0.1896 0.3511 ( 23780 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3433 -9.3433 -9.3433 -9.3433 -7.4668 -7.4668 -7.4668 -7.4668 -7.2099 -7.2099 -7.2099 -7.2099 -0.7194 -0.7194 -0.7194 -0.7194 3.1780 3.1780 3.1780 3.1780 4.4761 4.4761 4.4761 4.4761 4.5282 4.5282 4.5282 4.5282 6.4309 6.4309 6.4309 6.4309 6.6125 6.6125 6.6125 6.6125 k = 0.5000 0.2042 0.3511 ( 23772 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3434 -9.3434 -9.3434 -9.3434 -7.4667 -7.4667 -7.4667 -7.4667 -7.2103 -7.2103 -7.2103 -7.2103 -0.7253 -0.7253 -0.7253 -0.7253 3.2177 3.2177 3.2177 3.2177 4.4500 4.4500 4.4500 4.4500 4.5422 4.5422 4.5422 4.5422 6.4590 6.4590 6.4590 6.4590 6.6347 6.6347 6.6347 6.6347 k = 0.5000 0.2188 0.3511 ( 23768 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3434 -9.3434 -9.3434 -9.3434 -7.4667 -7.4667 -7.4667 -7.4667 -7.2107 -7.2107 -7.2107 -7.2107 -0.7310 -0.7310 -0.7310 -0.7310 3.2595 3.2595 3.2595 3.2595 4.4141 4.4141 4.4141 4.4141 4.5631 4.5631 4.5631 4.5631 6.4897 6.4897 6.4897 6.4897 6.6607 6.6607 6.6607 6.6607 k = 0.5000 0.2334 0.3511 ( 23752 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3435 -9.3435 -9.3435 -9.3435 -7.4667 -7.4667 -7.4667 -7.4667 -7.2110 -7.2110 -7.2110 -7.2110 -0.7366 -0.7366 -0.7366 -0.7366 3.3033 3.3033 3.3033 3.3033 4.3741 4.3741 4.3741 4.3741 4.5850 4.5850 4.5850 4.5850 6.5227 6.5227 6.5227 6.5227 6.6906 6.6906 6.6906 6.6906 k = 0.5000 0.2479 0.3511 ( 23756 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3435 -9.3435 -9.3435 -9.3435 -7.4666 -7.4666 -7.4666 -7.4666 -7.2114 -7.2114 -7.2114 -7.2114 -0.7419 -0.7419 -0.7419 -0.7419 3.3489 3.3489 3.3489 3.3489 4.3313 4.3313 4.3313 4.3313 4.6063 4.6063 4.6063 4.6063 6.5580 6.5580 6.5580 6.5580 6.7244 6.7244 6.7244 6.7244 k = 0.5000 0.2625 0.3511 ( 23756 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3436 -9.3436 -9.3436 -9.3436 -7.4666 -7.4666 -7.4666 -7.4666 -7.2117 -7.2117 -7.2117 -7.2117 -0.7469 -0.7469 -0.7469 -0.7469 3.3960 3.3960 3.3960 3.3960 4.2863 4.2863 4.2863 4.2863 4.6266 4.6266 4.6266 4.6266 6.5953 6.5953 6.5953 6.5953 6.7621 6.7621 6.7621 6.7621 k = 0.5000 0.2771 0.3511 ( 23776 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3436 -9.3436 -9.3436 -9.3436 -7.4665 -7.4665 -7.4665 -7.4665 -7.2120 -7.2120 -7.2120 -7.2120 -0.7514 -0.7514 -0.7514 -0.7514 3.4443 3.4443 3.4443 3.4443 4.2396 4.2396 4.2396 4.2396 4.6453 4.6453 4.6453 4.6453 6.6343 6.6343 6.6343 6.6343 6.8036 6.8036 6.8036 6.8036 k = 0.5000 0.2917 0.3511 ( 23756 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3436 -9.3436 -9.3436 -9.3436 -7.4665 -7.4665 -7.4665 -7.4665 -7.2123 -7.2123 -7.2123 -7.2123 -0.7555 -0.7555 -0.7555 -0.7555 3.4934 3.4934 3.4934 3.4934 4.1917 4.1917 4.1917 4.1917 4.6621 4.6621 4.6621 4.6621 6.6742 6.6742 6.6742 6.6742 6.8484 6.8484 6.8484 6.8484 k = 0.5000 0.3063 0.3511 ( 23760 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4665 -7.4665 -7.4665 -7.4665 -7.2125 -7.2125 -7.2125 -7.2125 -0.7590 -0.7590 -0.7590 -0.7590 3.5428 3.5428 3.5428 3.5428 4.1431 4.1431 4.1431 4.1431 4.6767 4.6767 4.6767 4.6767 6.7141 6.7141 6.7141 6.7141 6.8959 6.8959 6.8959 6.8959 k = 0.5000 0.3209 0.3511 ( 23764 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4665 -7.4665 -7.4665 -7.4665 -7.2127 -7.2127 -7.2127 -7.2127 -0.7620 -0.7620 -0.7620 -0.7620 3.5918 3.5918 3.5918 3.5918 4.0948 4.0948 4.0948 4.0948 4.6890 4.6890 4.6890 4.6890 6.7526 6.7526 6.7526 6.7526 6.9452 6.9452 6.9452 6.9452 k = 0.5000 0.3354 0.3511 ( 23772 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2129 -7.2129 -7.2129 -7.2129 -0.7643 -0.7643 -0.7643 -0.7643 3.6388 3.6388 3.6388 3.6388 4.0483 4.0483 4.0483 4.0483 4.6987 4.6987 4.6987 4.6987 6.7877 6.7877 6.7877 6.7877 6.9941 6.9941 6.9941 6.9941 k = 0.5000 0.3500 0.3511 ( 23748 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2130 -7.2130 -7.2130 -7.2130 -0.7660 -0.7660 -0.7660 -0.7660 3.6812 3.6812 3.6812 3.6812 4.0061 4.0061 4.0061 4.0061 4.7058 4.7058 4.7058 4.7058 6.8166 6.8166 6.8166 6.8166 7.0389 7.0389 7.0389 7.0389 k = 0.5000 0.3646 0.3511 ( 23760 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2131 -7.2131 -7.2131 -7.2131 -0.7670 -0.7670 -0.7670 -0.7670 3.7135 3.7135 3.7135 3.7135 3.9740 3.9740 3.9740 3.9740 4.7100 4.7100 4.7100 4.7100 6.8360 6.8360 6.8360 6.8360 7.0726 7.0726 7.0726 7.0726 k = 0.5000 0.3792 0.3511 ( 23760 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2131 -7.2131 -7.2131 -7.2131 -0.7674 -0.7674 -0.7674 -0.7674 3.7263 3.7263 3.7263 3.7263 3.9613 3.9613 3.9613 3.9613 4.7115 4.7115 4.7115 4.7115 6.8429 6.8429 6.8429 6.8429 7.0857 7.0857 7.0857 7.0857 k = 0.5000 0.3792 0.3511 ( 23760 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2131 -7.2131 -7.2131 -7.2131 -0.7674 -0.7674 -0.7674 -0.7674 3.7263 3.7263 3.7263 3.7263 3.9613 3.9613 3.9613 3.9613 4.7115 4.7115 4.7115 4.7115 6.8429 6.8429 6.8429 6.8429 7.0857 7.0857 7.0857 7.0857 k = 0.4853 0.3792 0.3511 ( 23776 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6256 -22.6256 -22.6256 -22.6256 -9.3441 -9.3441 -9.3432 -9.3432 -7.4697 -7.4697 -7.4626 -7.4626 -7.2162 -7.2162 -7.2102 -7.2102 -0.7683 -0.7683 -0.7667 -0.7667 3.7247 3.7247 3.7296 3.7296 3.9587 3.9587 3.9602 3.9602 4.7113 4.7113 4.7135 4.7135 6.8399 6.8399 6.8428 6.8428 7.0858 7.0858 7.0879 7.0879 k = 0.4706 0.3792 0.3511 ( 23760 PWs) bands (ev): -40.6184 -40.6184 -40.6184 -40.6184 -40.6160 -40.6160 -40.6160 -40.6160 -22.6257 -22.6257 -22.6257 -22.6257 -9.3442 -9.3442 -9.3426 -9.3426 -7.4726 -7.4726 -7.4584 -7.4584 -7.2194 -7.2194 -7.2074 -7.2074 -0.7696 -0.7696 -0.7664 -0.7664 3.7245 3.7245 3.7346 3.7346 3.9526 3.9526 3.9559 3.9559 4.7130 4.7130 4.7174 4.7174 6.8337 6.8337 6.8393 6.8393 7.0883 7.0883 7.0924 7.0924 k = 0.4559 0.3792 0.3511 ( 23752 PWs) bands (ev): -40.6190 -40.6190 -40.6190 -40.6190 -40.6154 -40.6154 -40.6154 -40.6154 -22.6258 -22.6258 -22.6258 -22.6258 -9.3442 -9.3442 -9.3417 -9.3417 -7.4751 -7.4751 -7.4537 -7.4537 -7.2228 -7.2228 -7.2047 -7.2047 -0.7712 -0.7712 -0.7665 -0.7665 3.7253 3.7253 3.7409 3.7409 3.9435 3.9435 3.9491 3.9491 4.7165 4.7165 4.7228 4.7228 6.8242 6.8242 6.8324 6.8324 7.0932 7.0932 7.0994 7.0994 k = 0.4412 0.3792 0.3511 ( 23764 PWs) bands (ev): -40.6196 -40.6196 -40.6196 -40.6196 -40.6148 -40.6148 -40.6148 -40.6148 -22.6259 -22.6259 -22.6259 -22.6259 -9.3440 -9.3440 -9.3408 -9.3408 -7.4770 -7.4770 -7.4486 -7.4486 -7.2263 -7.2263 -7.2023 -7.2023 -0.7731 -0.7731 -0.7668 -0.7668 3.7262 3.7262 3.7477 3.7477 3.9323 3.9323 3.9410 3.9410 4.7215 4.7215 4.7296 4.7296 6.8116 6.8116 6.8220 6.8220 7.1006 7.1006 7.1088 7.1088 k = 0.4265 0.3792 0.3511 ( 23756 PWs) bands (ev): -40.6202 -40.6202 -40.6202 -40.6202 -40.6142 -40.6142 -40.6142 -40.6142 -22.6260 -22.6260 -22.6260 -22.6260 -9.3436 -9.3436 -9.3396 -9.3396 -7.4785 -7.4785 -7.4431 -7.4431 -7.2300 -7.2300 -7.1999 -7.1999 -0.7753 -0.7753 -0.7675 -0.7675 3.7258 3.7258 3.7537 3.7537 3.9209 3.9209 3.9332 3.9332 4.7277 4.7277 4.7374 4.7374 6.7960 6.7960 6.8081 6.8081 7.1108 7.1108 7.1206 7.1206 k = 0.4118 0.3792 0.3511 ( 23764 PWs) bands (ev): -40.6208 -40.6208 -40.6208 -40.6208 -40.6136 -40.6136 -40.6136 -40.6136 -22.6262 -22.6262 -22.6261 -22.6261 -9.3431 -9.3431 -9.3384 -9.3384 -7.4795 -7.4795 -7.4372 -7.4372 -7.2338 -7.2338 -7.1978 -7.1978 -0.7777 -0.7777 -0.7686 -0.7686 3.7222 3.7222 3.7562 3.7562 3.9121 3.9121 3.9281 3.9281 4.7348 4.7348 4.7458 4.7458 6.7781 6.7781 6.7914 6.7914 7.1238 7.1238 7.1349 7.1349 k = 0.3971 0.3792 0.3511 ( 23748 PWs) bands (ev): -40.6214 -40.6214 -40.6214 -40.6214 -40.6130 -40.6130 -40.6130 -40.6130 -22.6263 -22.6263 -22.6263 -22.6263 -9.3424 -9.3424 -9.3370 -9.3370 -7.4801 -7.4801 -7.4309 -7.4309 -7.2377 -7.2377 -7.1958 -7.1958 -0.7804 -0.7804 -0.7699 -0.7699 3.7137 3.7137 3.7520 3.7520 3.9097 3.9097 3.9278 3.9278 4.7425 4.7425 4.7545 4.7545 6.7584 6.7584 6.7725 6.7725 7.1398 7.1398 7.1516 7.1516 k = 0.3824 0.3792 0.3511 ( 23776 PWs) bands (ev): -40.6220 -40.6220 -40.6220 -40.6220 -40.6124 -40.6124 -40.6124 -40.6124 -22.6265 -22.6265 -22.6265 -22.6265 -9.3415 -9.3415 -9.3355 -9.3355 -7.4802 -7.4802 -7.4243 -7.4243 -7.2417 -7.2417 -7.1939 -7.1939 -0.7833 -0.7833 -0.7716 -0.7716 3.6990 3.6990 3.7387 3.7387 3.9163 3.9163 3.9339 3.9339 4.7505 4.7505 4.7632 4.7632 6.7377 6.7377 6.7524 6.7524 7.1586 7.1586 7.1705 7.1705 k = 0.3676 0.3792 0.3511 ( 23788 PWs) bands (ev): -40.6225 -40.6225 -40.6225 -40.6225 -40.6119 -40.6119 -40.6119 -40.6119 -22.6268 -22.6268 -22.6268 -22.6268 -9.3405 -9.3405 -9.3339 -9.3339 -7.4799 -7.4799 -7.4174 -7.4174 -7.2459 -7.2459 -7.1922 -7.1922 -0.7864 -0.7864 -0.7736 -0.7736 3.6782 3.6782 3.7171 3.7171 3.9317 3.9317 3.9468 3.9468 4.7584 4.7584 4.7716 4.7716 6.7169 6.7169 6.7318 6.7318 7.1799 7.1799 7.1913 7.1913 k = 0.3529 0.3792 0.3511 ( 23800 PWs) bands (ev): -40.6231 -40.6231 -40.6231 -40.6231 -40.6113 -40.6113 -40.6113 -40.6113 -22.6270 -22.6270 -22.6270 -22.6270 -9.3393 -9.3393 -9.3322 -9.3322 -7.4791 -7.4791 -7.4101 -7.4101 -7.2501 -7.2501 -7.1907 -7.1907 -0.7897 -0.7897 -0.7758 -0.7758 3.6521 3.6521 3.6891 3.6891 3.9542 3.9542 3.9659 3.9659 4.7660 4.7660 4.7795 4.7795 6.6966 6.6966 6.7115 6.7115 7.2032 7.2032 7.2137 7.2137 k = 0.3382 0.3792 0.3511 ( 23788 PWs) bands (ev): -40.6236 -40.6236 -40.6236 -40.6236 -40.6108 -40.6108 -40.6108 -40.6108 -22.6273 -22.6273 -22.6273 -22.6273 -9.3381 -9.3381 -9.3304 -9.3304 -7.4780 -7.4780 -7.4026 -7.4026 -7.2545 -7.2545 -7.1894 -7.1894 -0.7932 -0.7932 -0.7783 -0.7783 3.6219 3.6219 3.6568 3.6568 3.9819 3.9819 3.9904 3.9904 4.7731 4.7731 4.7867 4.7867 6.6771 6.6771 6.6920 6.6920 7.2280 7.2280 7.2371 7.2371 k = 0.3235 0.3792 0.3511 ( 23796 PWs) bands (ev): -40.6242 -40.6242 -40.6242 -40.6242 -40.6102 -40.6102 -40.6102 -40.6102 -22.6276 -22.6276 -22.6276 -22.6276 -9.3367 -9.3367 -9.3286 -9.3286 -7.4764 -7.4764 -7.3948 -7.3948 -7.2589 -7.2589 -7.1882 -7.1882 -0.7967 -0.7967 -0.7811 -0.7811 3.5887 3.5887 3.6216 3.6216 4.0139 4.0139 4.0194 4.0194 4.7796 4.7796 4.7930 4.7930 6.6589 6.6589 6.6736 6.6736 7.2536 7.2536 7.2611 7.2611 k = 0.3088 0.3792 0.3511 ( 23788 PWs) bands (ev): -40.6247 -40.6247 -40.6247 -40.6247 -40.6097 -40.6097 -40.6097 -40.6097 -22.6279 -22.6279 -22.6279 -22.6279 -9.3352 -9.3352 -9.3268 -9.3268 -7.4744 -7.4744 -7.3868 -7.3868 -7.2635 -7.2635 -7.1872 -7.1872 -0.8004 -0.8004 -0.7841 -0.7841 3.5534 3.5534 3.5844 3.5844 4.0494 4.0494 4.0522 4.0522 4.7852 4.7852 4.7984 4.7984 6.6421 6.6421 6.6567 6.6567 7.2793 7.2793 7.2851 7.2851 k = 0.2941 0.3792 0.3511 ( 23808 PWs) bands (ev): -40.6252 -40.6252 -40.6252 -40.6252 -40.6092 -40.6092 -40.6092 -40.6092 -22.6282 -22.6282 -22.6282 -22.6282 -9.3336 -9.3336 -9.3250 -9.3250 -7.4720 -7.4720 -7.3786 -7.3786 -7.2681 -7.2681 -7.1863 -7.1863 -0.8041 -0.8041 -0.7872 -0.7872 3.5167 3.5167 3.5459 3.5459 4.0878 4.0878 4.0884 4.0884 4.7899 4.7899 4.8028 4.8028 6.6268 6.6268 6.6411 6.6411 7.3046 7.3046 7.3088 7.3088 k = 0.2794 0.3792 0.3511 ( 23796 PWs) bands (ev): -40.6257 -40.6257 -40.6257 -40.6257 -40.6088 -40.6088 -40.6088 -40.6088 -22.6285 -22.6285 -22.6285 -22.6285 -9.3320 -9.3320 -9.3232 -9.3232 -7.4693 -7.4693 -7.3703 -7.3703 -7.2728 -7.2728 -7.1857 -7.1857 -0.8079 -0.8079 -0.7906 -0.7906 3.4791 3.4791 3.5067 3.5067 4.1275 4.1275 4.1289 4.1289 4.7937 4.7937 4.8061 4.8061 6.6129 6.6129 6.6270 6.6270 7.3292 7.3292 7.3320 7.3320 k = 0.2647 0.3792 0.3511 ( 23804 PWs) bands (ev): -40.6261 -40.6261 -40.6261 -40.6261 -40.6083 -40.6083 -40.6083 -40.6083 -22.6288 -22.6288 -22.6288 -22.6288 -9.3303 -9.3303 -9.3213 -9.3213 -7.4662 -7.4662 -7.3618 -7.3618 -7.2776 -7.2776 -7.1853 -7.1853 -0.8116 -0.8116 -0.7941 -0.7941 3.4411 3.4411 3.4673 3.4673 4.1692 4.1692 4.1722 4.1722 4.7965 4.7965 4.8084 4.8084 6.6004 6.6004 6.6140 6.6140 7.3528 7.3528 7.3545 7.3545 k = 0.2500 0.3792 0.3511 ( 23816 PWs) bands (ev): -40.6266 -40.6266 -40.6266 -40.6266 -40.6079 -40.6079 -40.6079 -40.6079 -22.6292 -22.6292 -22.6292 -22.6292 -9.3286 -9.3286 -9.3196 -9.3196 -7.4628 -7.4628 -7.3534 -7.3534 -7.2823 -7.2823 -7.1850 -7.1850 -0.8154 -0.8154 -0.7977 -0.7977 3.4031 3.4031 3.4279 3.4279 4.2131 4.2131 4.2174 4.2174 4.7984 4.7984 4.8096 4.8096 6.5889 6.5889 6.6022 6.6022 7.3757 7.3757 7.3766 7.3766 k = 0.2353 0.3792 0.3511 ( 23832 PWs) bands (ev): -40.6270 -40.6270 -40.6270 -40.6270 -40.6074 -40.6074 -40.6074 -40.6074 -22.6295 -22.6295 -22.6295 -22.6295 -9.3268 -9.3268 -9.3178 -9.3178 -7.4592 -7.4592 -7.3449 -7.3449 -7.2871 -7.2871 -7.1850 -7.1850 -0.8190 -0.8190 -0.8014 -0.8014 3.3656 3.3656 3.3890 3.3890 4.2589 4.2589 4.2643 4.2643 4.7995 4.7995 4.8100 4.8100 6.5784 6.5784 6.5911 6.5911 7.3981 7.3981 7.3984 7.3984 k = 0.2206 0.3792 0.3511 ( 23844 PWs) bands (ev): -40.6274 -40.6274 -40.6274 -40.6274 -40.6070 -40.6070 -40.6070 -40.6070 -22.6298 -22.6298 -22.6298 -22.6298 -9.3250 -9.3250 -9.3162 -9.3162 -7.4552 -7.4552 -7.3367 -7.3367 -7.2917 -7.2917 -7.1852 -7.1852 -0.8226 -0.8226 -0.8052 -0.8052 3.3288 3.3288 3.3508 3.3508 4.3061 4.3061 4.3124 4.3124 4.7998 4.7998 4.8096 4.8096 6.5686 6.5686 6.5808 6.5808 7.4202 7.4202 7.4202 7.4202 k = 0.2059 0.3792 0.3511 ( 23860 PWs) bands (ev): -40.6278 -40.6278 -40.6278 -40.6278 -40.6067 -40.6067 -40.6067 -40.6067 -22.6301 -22.6301 -22.6301 -22.6301 -9.3232 -9.3232 -9.3146 -9.3146 -7.4510 -7.4510 -7.3288 -7.3288 -7.2960 -7.2960 -7.1856 -7.1856 -0.8260 -0.8260 -0.8090 -0.8090 3.2931 3.2931 3.3137 3.3137 4.3545 4.3545 4.3615 4.3615 4.7994 4.7994 4.8085 4.8085 6.5593 6.5593 6.5708 6.5708 7.4423 7.4423 7.4424 7.4424 k = 0.1912 0.3792 0.3511 ( 23860 PWs) bands (ev): -40.6281 -40.6281 -40.6281 -40.6281 -40.6063 -40.6063 -40.6063 -40.6063 -22.6304 -22.6304 -22.6304 -22.6304 -9.3215 -9.3215 -9.3131 -9.3131 -7.4465 -7.4465 -7.3222 -7.3222 -7.2992 -7.2992 -7.1862 -7.1862 -0.8293 -0.8293 -0.8128 -0.8128 3.2586 3.2586 3.2779 3.2779 4.4036 4.4036 4.4110 4.4110 4.7985 4.7985 4.8068 4.8068 6.5504 6.5504 6.5612 6.5612 7.4649 7.4649 7.4649 7.4649 k = 0.1765 0.3792 0.3511 ( 23848 PWs) bands (ev): -40.6285 -40.6285 -40.6285 -40.6285 -40.6060 -40.6060 -40.6060 -40.6060 -22.6307 -22.6307 -22.6307 -22.6307 -9.3198 -9.3198 -9.3117 -9.3117 -7.4419 -7.4419 -7.3185 -7.3185 -7.2995 -7.2995 -7.1872 -7.1872 -0.8324 -0.8324 -0.8165 -0.8165 3.2258 3.2258 3.2437 3.2437 4.4528 4.4528 4.4605 4.4605 4.7972 4.7972 4.8047 4.8047 6.5417 6.5417 6.5518 6.5518 7.4879 7.4879 7.4881 7.4881 k = 0.1618 0.3792 0.3511 ( 23820 PWs) bands (ev): -40.6288 -40.6288 -40.6288 -40.6288 -40.6057 -40.6057 -40.6057 -40.6057 -22.6310 -22.6310 -22.6310 -22.6310 -9.3181 -9.3181 -9.3104 -9.3104 -7.4370 -7.4370 -7.3196 -7.3196 -7.2954 -7.2954 -7.1883 -7.1883 -0.8353 -0.8353 -0.8202 -0.8202 3.1947 3.1947 3.2113 3.2113 4.5018 4.5018 4.5095 4.5095 4.7957 4.7957 4.8023 4.8023 6.5333 6.5333 6.5425 6.5425 7.5113 7.5113 7.5119 7.5119 k = 0.1471 0.3792 0.3511 ( 23836 PWs) bands (ev): -40.6291 -40.6291 -40.6291 -40.6291 -40.6054 -40.6054 -40.6054 -40.6054 -22.6313 -22.6313 -22.6313 -22.6313 -9.3165 -9.3165 -9.3093 -9.3093 -7.4320 -7.4320 -7.3232 -7.3232 -7.2888 -7.2888 -7.1898 -7.1898 -0.8380 -0.8380 -0.8237 -0.8237 3.1657 3.1657 3.1809 3.1809 4.5498 4.5498 4.5573 4.5573 4.7942 4.7942 4.7999 4.7999 6.5250 6.5250 6.5334 6.5334 7.5349 7.5349 7.5360 7.5360 k = 0.1324 0.3792 0.3511 ( 23828 PWs) bands (ev): -40.6293 -40.6293 -40.6293 -40.6293 -40.6051 -40.6051 -40.6051 -40.6051 -22.6315 -22.6315 -22.6315 -22.6315 -9.3149 -9.3149 -9.3083 -9.3083 -7.4269 -7.4269 -7.3279 -7.3279 -7.2815 -7.2815 -7.1915 -7.1915 -0.8404 -0.8404 -0.8271 -0.8271 3.1389 3.1389 3.1527 3.1527 4.5961 4.5961 4.6032 4.6032 4.7929 4.7929 4.7976 4.7976 6.5170 6.5170 6.5246 6.5246 7.5583 7.5583 7.5601 7.5601 k = 0.1176 0.3792 0.3511 ( 23824 PWs) bands (ev): -40.6295 -40.6295 -40.6295 -40.6295 -40.6049 -40.6049 -40.6049 -40.6049 -22.6318 -22.6318 -22.6318 -22.6318 -9.3135 -9.3135 -9.3074 -9.3074 -7.4216 -7.4216 -7.3329 -7.3329 -7.2741 -7.2741 -7.1936 -7.1936 -0.8425 -0.8425 -0.8304 -0.8304 3.1145 3.1145 3.1269 3.1269 4.6399 4.6399 4.6462 4.6462 4.7922 4.7922 4.7958 4.7958 6.5094 6.5094 6.5161 6.5161 7.5808 7.5808 7.5835 7.5835 k = 0.1029 0.3792 0.3511 ( 23824 PWs) bands (ev): -40.6298 -40.6298 -40.6298 -40.6298 -40.6047 -40.6047 -40.6047 -40.6047 -22.6320 -22.6320 -22.6320 -22.6320 -9.3121 -9.3121 -9.3066 -9.3066 -7.4163 -7.4163 -7.3382 -7.3382 -7.2667 -7.2667 -7.1960 -7.1960 -0.8442 -0.8442 -0.8335 -0.8335 3.0927 3.0927 3.1036 3.1036 4.6800 4.6800 4.6850 4.6850 4.7929 4.7929 4.7952 4.7952 6.5022 6.5022 6.5081 6.5081 7.6019 7.6019 7.6054 7.6054 k = 0.0882 0.3792 0.3511 ( 23836 PWs) bands (ev): -40.6299 -40.6299 -40.6299 -40.6299 -40.6045 -40.6045 -40.6045 -40.6045 -22.6321 -22.6321 -22.6321 -22.6321 -9.3108 -9.3108 -9.3061 -9.3061 -7.4108 -7.4108 -7.3436 -7.3436 -7.2595 -7.2595 -7.1987 -7.1987 -0.8457 -0.8457 -0.8363 -0.8363 3.0737 3.0737 3.0830 3.0830 4.7144 4.7144 4.7175 4.7175 4.7966 4.7966 4.7969 4.7969 6.4957 6.4957 6.5007 6.5007 7.6206 7.6206 7.6249 7.6249 k = 0.0735 0.3792 0.3511 ( 23844 PWs) bands (ev): -40.6301 -40.6301 -40.6301 -40.6301 -40.6043 -40.6043 -40.6043 -40.6043 -22.6323 -22.6323 -22.6323 -22.6323 -9.3096 -9.3096 -9.3056 -9.3056 -7.4053 -7.4053 -7.3490 -7.3490 -7.2525 -7.2525 -7.2018 -7.2018 -0.8469 -0.8469 -0.8389 -0.8389 3.0574 3.0574 3.0653 3.0653 4.7400 4.7400 4.7405 4.7405 4.8035 4.8035 4.8056 4.8056 6.4899 6.4899 6.4940 6.4940 7.6364 7.6364 7.6412 7.6412 k = 0.0588 0.3792 0.3511 ( 23856 PWs) bands (ev): -40.6302 -40.6302 -40.6302 -40.6302 -40.6042 -40.6042 -40.6042 -40.6042 -22.6324 -22.6324 -22.6324 -22.6324 -9.3086 -9.3086 -9.3053 -9.3053 -7.3997 -7.3997 -7.3546 -7.3546 -7.2459 -7.2459 -7.2052 -7.2052 -0.8476 -0.8476 -0.8411 -0.8411 3.0442 3.0442 3.0505 3.0505 4.7530 4.7530 4.7542 4.7542 4.8168 4.8168 4.8204 4.8204 6.4850 6.4850 6.4883 6.4883 7.6489 7.6489 7.6537 7.6537 k = 0.0441 0.3792 0.3511 ( 23844 PWs) bands (ev): -40.6303 -40.6303 -40.6303 -40.6303 -40.6041 -40.6041 -40.6041 -40.6041 -22.6325 -22.6325 -22.6325 -22.6325 -9.3077 -9.3077 -9.3052 -9.3052 -7.3941 -7.3941 -7.3602 -7.3602 -7.2395 -7.2395 -7.2090 -7.2090 -0.8481 -0.8481 -0.8431 -0.8431 3.0339 3.0339 3.0387 3.0387 4.7585 4.7585 4.7601 4.7601 4.8333 4.8333 4.8368 4.8368 6.4811 6.4811 6.4836 6.4836 7.6580 7.6580 7.6623 7.6623 k = 0.0294 0.3792 0.3511 ( 23856 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6326 -22.6326 -22.6326 -22.6326 -9.3069 -9.3069 -9.3053 -9.3053 -7.3884 -7.3884 -7.3658 -7.3658 -7.2335 -7.2335 -7.2131 -7.2131 -0.8481 -0.8481 -0.8448 -0.8448 3.0268 3.0268 3.0300 3.0300 4.7608 4.7608 4.7621 4.7621 4.8478 4.8478 4.8504 4.8504 6.4784 6.4784 6.4800 6.4800 7.6642 7.6642 7.6675 7.6675 k = 0.0147 0.3792 0.3511 ( 23852 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3063 -9.3063 -9.3054 -9.3054 -7.3828 -7.3828 -7.3714 -7.3714 -7.2279 -7.2279 -7.2177 -7.2177 -0.8478 -0.8478 -0.8462 -0.8462 3.0228 3.0228 3.0244 3.0244 4.7619 4.7619 4.7626 4.7626 4.8576 4.8576 4.8589 4.8589 6.4769 6.4769 6.4777 6.4777 7.6680 7.6680 7.6697 7.6697 k = 0.0000 0.3792 0.3511 ( 23848 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3058 -9.3058 -9.3058 -9.3058 -7.3771 -7.3771 -7.3771 -7.3771 -7.2226 -7.2226 -7.2226 -7.2226 -0.8472 -0.8472 -0.8472 -0.8472 3.0220 3.0220 3.0220 3.0220 4.7624 4.7624 4.7624 4.7624 4.8614 4.8614 4.8614 4.8614 6.4767 6.4767 6.4767 6.4767 7.6698 7.6698 7.6698 7.6698 k = 0.0000 0.3792 0.3511 ( 23848 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3058 -9.3058 -9.3058 -9.3058 -7.3771 -7.3771 -7.3771 -7.3771 -7.2226 -7.2226 -7.2226 -7.2226 -0.8472 -0.8472 -0.8472 -0.8472 3.0220 3.0220 3.0220 3.0220 4.7624 4.7624 4.7624 4.7624 4.8614 4.8614 4.8614 4.8614 6.4767 6.4767 6.4767 6.4767 7.6698 7.6698 7.6698 7.6698 k = 0.0000 0.3646 0.3511 ( 23852 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3058 -9.3058 -9.3058 -9.3058 -7.3771 -7.3771 -7.3771 -7.3771 -7.2226 -7.2226 -7.2226 -7.2226 -0.8479 -0.8479 -0.8479 -0.8479 3.0243 3.0243 3.0243 3.0243 4.7626 4.7626 4.7626 4.7626 4.8624 4.8624 4.8624 4.8624 6.4731 6.4731 6.4731 6.4731 7.6717 7.6717 7.6717 7.6717 k = 0.0000 0.3500 0.3511 ( 23848 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3057 -9.3057 -9.3057 -9.3057 -7.3769 -7.3769 -7.3769 -7.3769 -7.2226 -7.2226 -7.2226 -7.2226 -0.8502 -0.8502 -0.8502 -0.8502 3.0311 3.0311 3.0311 3.0311 4.7629 4.7629 4.7629 4.7629 4.8656 4.8656 4.8656 4.8656 6.4624 6.4624 6.4624 6.4624 7.6772 7.6772 7.6772 7.6772 k = 0.0000 0.3354 0.3511 ( 23850 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3057 -9.3057 -9.3057 -9.3057 -7.3767 -7.3767 -7.3767 -7.3767 -7.2226 -7.2226 -7.2226 -7.2226 -0.8538 -0.8538 -0.8538 -0.8538 3.0424 3.0424 3.0424 3.0424 4.7634 4.7634 4.7634 4.7634 4.8708 4.8708 4.8708 4.8708 6.4452 6.4452 6.4452 6.4452 7.6859 7.6859 7.6859 7.6859 k = 0.0000 0.3209 0.3511 ( 23814 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3056 -9.3056 -9.3056 -9.3056 -7.3764 -7.3764 -7.3764 -7.3764 -7.2226 -7.2226 -7.2226 -7.2226 -0.8588 -0.8588 -0.8588 -0.8588 3.0581 3.0581 3.0581 3.0581 4.7641 4.7641 4.7641 4.7641 4.8781 4.8781 4.8781 4.8781 6.4221 6.4221 6.4221 6.4221 7.6970 7.6970 7.6970 7.6970 k = 0.0000 0.3063 0.3511 ( 23822 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3055 -9.3055 -9.3055 -9.3055 -7.3760 -7.3760 -7.3760 -7.3760 -7.2226 -7.2226 -7.2226 -7.2226 -0.8651 -0.8651 -0.8651 -0.8651 3.0780 3.0780 3.0780 3.0780 4.7647 4.7647 4.7647 4.7647 4.8874 4.8874 4.8874 4.8874 6.3940 6.3940 6.3940 6.3940 7.7097 7.7097 7.7097 7.7097 k = 0.0000 0.2917 0.3511 ( 23814 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3054 -9.3054 -9.3054 -9.3054 -7.3756 -7.3756 -7.3756 -7.3756 -7.2226 -7.2226 -7.2226 -7.2226 -0.8726 -0.8726 -0.8726 -0.8726 3.1020 3.1020 3.1020 3.1020 4.7653 4.7653 4.7653 4.7653 4.8987 4.8987 4.8987 4.8987 6.3617 6.3617 6.3617 6.3617 7.7230 7.7230 7.7230 7.7230 k = 0.0000 0.2771 0.3511 ( 23834 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3052 -9.3052 -9.3052 -9.3052 -7.3751 -7.3751 -7.3751 -7.3751 -7.2226 -7.2226 -7.2226 -7.2226 -0.8811 -0.8811 -0.8811 -0.8811 3.1299 3.1299 3.1299 3.1299 4.7656 4.7656 4.7656 4.7656 4.9117 4.9117 4.9117 4.9117 6.3263 6.3263 6.3263 6.3263 7.7360 7.7360 7.7360 7.7360 k = 0.0000 0.2625 0.3511 ( 23842 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3051 -9.3051 -9.3051 -9.3051 -7.3745 -7.3745 -7.3745 -7.3745 -7.2226 -7.2226 -7.2226 -7.2226 -0.8905 -0.8905 -0.8905 -0.8905 3.1615 3.1615 3.1615 3.1615 4.7656 4.7656 4.7656 4.7656 4.9265 4.9265 4.9265 4.9265 6.2884 6.2884 6.2884 6.2884 7.7473 7.7473 7.7473 7.7473 k = 0.0000 0.2479 0.3511 ( 23854 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3049 -9.3049 -9.3049 -9.3049 -7.3739 -7.3739 -7.3739 -7.3739 -7.2226 -7.2226 -7.2226 -7.2226 -0.9007 -0.9007 -0.9007 -0.9007 3.1964 3.1964 3.1964 3.1964 4.7649 4.7649 4.7649 4.7649 4.9428 4.9428 4.9428 4.9428 6.2491 6.2491 6.2491 6.2491 7.7557 7.7557 7.7557 7.7557 k = 0.0000 0.2334 0.3511 ( 23862 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3047 -9.3047 -9.3047 -9.3047 -7.3732 -7.3732 -7.3732 -7.3732 -7.2226 -7.2226 -7.2226 -7.2226 -0.9114 -0.9114 -0.9114 -0.9114 3.2345 3.2345 3.2345 3.2345 4.7635 4.7635 4.7635 4.7635 4.9606 4.9606 4.9606 4.9606 6.2090 6.2090 6.2090 6.2090 7.7592 7.7592 7.7592 7.7592 k = 0.0000 0.2188 0.3511 ( 23874 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3046 -9.3046 -9.3046 -9.3046 -7.3725 -7.3725 -7.3725 -7.3725 -7.2226 -7.2226 -7.2226 -7.2226 -0.9225 -0.9225 -0.9225 -0.9225 3.2753 3.2753 3.2753 3.2753 4.7610 4.7610 4.7610 4.7610 4.9797 4.9797 4.9797 4.9797 6.1689 6.1689 6.1689 6.1689 7.7553 7.7553 7.7553 7.7553 k = 0.0000 0.2042 0.3511 ( 23838 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3044 -9.3044 -9.3044 -9.3044 -7.3718 -7.3718 -7.3718 -7.3718 -7.2227 -7.2227 -7.2227 -7.2227 -0.9339 -0.9339 -0.9339 -0.9339 3.3186 3.3186 3.3186 3.3186 4.7572 4.7572 4.7572 4.7572 4.9998 4.9998 4.9998 4.9998 6.1293 6.1293 6.1293 6.1293 7.7413 7.7413 7.7413 7.7413 k = 0.0000 0.1896 0.3511 ( 23850 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3042 -9.3042 -9.3042 -9.3042 -7.3710 -7.3710 -7.3710 -7.3710 -7.2227 -7.2227 -7.2227 -7.2227 -0.9453 -0.9453 -0.9453 -0.9453 3.3639 3.3639 3.3639 3.3639 4.7520 4.7520 4.7520 4.7520 5.0208 5.0208 5.0208 5.0208 6.0908 6.0908 6.0908 6.0908 7.7161 7.7161 7.7161 7.7161 k = 0.0000 0.1750 0.3511 ( 23832 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3040 -9.3040 -9.3040 -9.3040 -7.3703 -7.3703 -7.3703 -7.3703 -7.2227 -7.2227 -7.2227 -7.2227 -0.9567 -0.9567 -0.9567 -0.9567 3.4108 3.4108 3.4108 3.4108 4.7450 4.7450 4.7450 4.7450 5.0423 5.0423 5.0423 5.0423 6.0540 6.0540 6.0540 6.0540 7.6817 7.6817 7.6817 7.6817 k = 0.0000 0.1604 0.3511 ( 23836 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3038 -9.3038 -9.3038 -9.3038 -7.3696 -7.3696 -7.3696 -7.3696 -7.2227 -7.2227 -7.2227 -7.2227 -0.9677 -0.9677 -0.9677 -0.9677 3.4589 3.4589 3.4589 3.4589 4.7361 4.7361 4.7361 4.7361 5.0641 5.0641 5.0641 5.0641 6.0192 6.0192 6.0192 6.0192 7.6418 7.6418 7.6418 7.6418 k = 0.0000 0.1458 0.3511 ( 23838 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3036 -9.3036 -9.3036 -9.3036 -7.3689 -7.3689 -7.3689 -7.3689 -7.2227 -7.2227 -7.2227 -7.2227 -0.9784 -0.9784 -0.9784 -0.9784 3.5076 3.5076 3.5076 3.5076 4.7253 4.7253 4.7253 4.7253 5.0859 5.0859 5.0859 5.0859 5.9869 5.9869 5.9869 5.9869 7.5998 7.5998 7.5998 7.5998 k = 0.0000 0.1313 0.3511 ( 23842 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3034 -9.3034 -9.3034 -9.3034 -7.3682 -7.3682 -7.3682 -7.3682 -7.2227 -7.2227 -7.2227 -7.2227 -0.9885 -0.9885 -0.9885 -0.9885 3.5564 3.5564 3.5564 3.5564 4.7124 4.7124 4.7124 4.7124 5.1074 5.1074 5.1074 5.1074 5.9573 5.9573 5.9573 5.9573 7.5579 7.5579 7.5579 7.5579 k = 0.0000 0.1167 0.3511 ( 23836 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3033 -9.3033 -9.3033 -9.3033 -7.3676 -7.3676 -7.3676 -7.3676 -7.2227 -7.2227 -7.2227 -7.2227 -0.9979 -0.9979 -0.9979 -0.9979 3.6045 3.6045 3.6045 3.6045 4.6977 4.6977 4.6977 4.6977 5.1280 5.1280 5.1280 5.1280 5.9307 5.9307 5.9307 5.9307 7.5179 7.5179 7.5179 7.5179 k = 0.0000 0.1021 0.3511 ( 23828 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3031 -9.3031 -9.3031 -9.3031 -7.3670 -7.3670 -7.3670 -7.3670 -7.2227 -7.2227 -7.2227 -7.2227 -1.0065 -1.0065 -1.0065 -1.0065 3.6513 3.6513 3.6513 3.6513 4.6815 4.6815 4.6815 4.6815 5.1476 5.1476 5.1476 5.1476 5.9073 5.9073 5.9073 5.9073 7.4807 7.4807 7.4807 7.4807 k = 0.0000 0.0875 0.3511 ( 23824 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3030 -9.3030 -9.3030 -9.3030 -7.3665 -7.3665 -7.3665 -7.3665 -7.2227 -7.2227 -7.2227 -7.2227 -1.0142 -1.0142 -1.0142 -1.0142 3.6957 3.6957 3.6957 3.6957 4.6641 4.6641 4.6641 4.6641 5.1656 5.1656 5.1656 5.1656 5.8871 5.8871 5.8871 5.8871 7.4472 7.4472 7.4472 7.4472 k = 0.0000 0.0729 0.3511 ( 23806 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3029 -9.3029 -9.3029 -9.3029 -7.3660 -7.3660 -7.3660 -7.3660 -7.2227 -7.2227 -7.2227 -7.2227 -1.0209 -1.0209 -1.0209 -1.0209 3.7367 3.7367 3.7367 3.7367 4.6464 4.6464 4.6464 4.6464 5.1817 5.1817 5.1817 5.1817 5.8702 5.8702 5.8702 5.8702 7.4179 7.4179 7.4179 7.4179 k = 0.0000 0.0583 0.3511 ( 23800 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3028 -9.3028 -9.3028 -9.3028 -7.3657 -7.3657 -7.3657 -7.3657 -7.2227 -7.2227 -7.2227 -7.2227 -1.0264 -1.0264 -1.0264 -1.0264 3.7732 3.7732 3.7732 3.7732 4.6293 4.6293 4.6293 4.6293 5.1955 5.1955 5.1955 5.1955 5.8565 5.8565 5.8565 5.8565 7.3934 7.3934 7.3934 7.3934 k = 0.0000 0.0438 0.3511 ( 23784 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3027 -9.3027 -9.3027 -9.3027 -7.3654 -7.3654 -7.3654 -7.3654 -7.2227 -7.2227 -7.2227 -7.2227 -1.0308 -1.0308 -1.0308 -1.0308 3.8037 3.8037 3.8037 3.8037 4.6140 4.6140 4.6140 4.6140 5.2066 5.2066 5.2066 5.2066 5.8460 5.8460 5.8460 5.8460 7.3740 7.3740 7.3740 7.3740 k = 0.0000 0.0292 0.3511 ( 23800 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3026 -9.3026 -9.3026 -9.3026 -7.3651 -7.3651 -7.3651 -7.3651 -7.2227 -7.2227 -7.2227 -7.2227 -1.0340 -1.0340 -1.0340 -1.0340 3.8269 3.8269 3.8269 3.8269 4.6018 4.6018 4.6018 4.6018 5.2148 5.2148 5.2148 5.2148 5.8386 5.8386 5.8386 5.8386 7.3599 7.3599 7.3599 7.3599 k = 0.0000 0.0146 0.3511 ( 23802 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3026 -9.3026 -9.3026 -9.3026 -7.3650 -7.3650 -7.3650 -7.3650 -7.2227 -7.2227 -7.2227 -7.2227 -1.0359 -1.0359 -1.0359 -1.0359 3.8414 3.8414 3.8414 3.8414 4.5939 4.5939 4.5939 4.5939 5.2198 5.2198 5.2198 5.2198 5.8341 5.8341 5.8341 5.8341 7.3514 7.3514 7.3514 7.3514 k = 0.0000 0.0000 0.3511 ( 23806 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6328 -22.6328 -22.6328 -22.6328 -9.3026 -9.3026 -9.3026 -9.3026 -7.3650 -7.3650 -7.3650 -7.3650 -7.2227 -7.2227 -7.2227 -7.2227 -1.0366 -1.0366 -1.0366 -1.0366 3.8464 3.8464 3.8464 3.8464 4.5912 4.5912 4.5912 4.5912 5.2214 5.2214 5.2214 5.2214 5.8327 5.8327 5.8327 5.8327 7.3485 7.3485 7.3485 7.3485 k = 0.0000 0.3792-0.0000 ( 23834 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3738 -9.3738 -9.2342 -9.2342 -7.4635 -7.4635 -7.3187 -7.3187 -7.2866 -7.2866 -7.1081 -7.1081 -0.9986 -0.9986 -0.9136 -0.9136 3.2475 3.2475 3.5008 3.5008 3.6813 3.6813 4.4147 4.4147 5.1096 5.1096 5.8355 5.8355 6.2310 6.2310 7.1405 7.1405 7.3355 7.3355 7.8326 7.8326 k = 0.0000 0.3792 0.0146 ( 23824 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6554 -22.6554 -22.6099 -22.6099 -9.3737 -9.3737 -9.2344 -9.2344 -7.4633 -7.4633 -7.3188 -7.3188 -7.2864 -7.2864 -7.1084 -7.1084 -0.9982 -0.9982 -0.9131 -0.9131 3.2387 3.2387 3.5007 3.5007 3.6926 3.6926 4.4154 4.4154 5.1066 5.1066 5.8317 5.8317 6.2317 6.2317 7.1429 7.1429 7.3322 7.3322 7.8321 7.8321 k = 0.0000 0.3792 0.0293 ( 23824 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6552 -22.6552 -22.6100 -22.6100 -9.3733 -9.3733 -9.2348 -9.2348 -7.4627 -7.4627 -7.3192 -7.3192 -7.2860 -7.2860 -7.1094 -7.1094 -0.9969 -0.9969 -0.9115 -0.9115 3.2148 3.2148 3.5001 3.5001 3.7240 3.7240 4.4174 4.4174 5.0978 5.0978 5.8205 5.8205 6.2336 6.2336 7.1502 7.1502 7.3224 7.3224 7.8306 7.8306 k = 0.0000 0.3792 0.0439 ( 23846 PWs) bands (ev): -40.6315 -40.6315 -40.6293 -40.6293 -40.6049 -40.6049 -40.6031 -40.6031 -22.6550 -22.6550 -22.6103 -22.6103 -9.3726 -9.3726 -9.2356 -9.2356 -7.4616 -7.4616 -7.3199 -7.3199 -7.2853 -7.2853 -7.1109 -7.1109 -0.9948 -0.9948 -0.9090 -0.9090 3.1811 3.1811 3.4992 3.4992 3.7701 3.7701 4.4208 4.4208 5.0834 5.0834 5.8022 5.8022 6.2367 6.2367 7.1623 7.1623 7.3063 7.3063 7.8288 7.8288 k = 0.0000 0.3792 0.0585 ( 23834 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6546 -22.6546 -22.6106 -22.6106 -9.3716 -9.3716 -9.2367 -9.2367 -7.4602 -7.4602 -7.3208 -7.3208 -7.2844 -7.2844 -7.1130 -7.1130 -0.9919 -0.9919 -0.9055 -0.9055 3.1425 3.1425 3.4975 3.4975 3.8260 3.8260 4.4256 4.4256 5.0641 5.0641 5.7773 5.7773 6.2407 6.2407 7.1790 7.1790 7.2843 7.2843 7.8274 7.8274 k = 0.0000 0.3792 0.0731 ( 23846 PWs) bands (ev): -40.6315 -40.6315 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6542 -22.6542 -22.6111 -22.6111 -9.3703 -9.3703 -9.2381 -9.2381 -7.4583 -7.4583 -7.3220 -7.3220 -7.2833 -7.2833 -7.1157 -7.1157 -0.9882 -0.9882 -0.9013 -0.9013 3.1023 3.1023 3.4951 3.4951 3.8883 3.8883 4.4319 4.4319 5.0406 5.0406 5.7467 5.7467 6.2454 6.2454 7.2001 7.2001 7.2573 7.2573 7.8273 7.8273 k = 0.0000 0.3792 0.0878 ( 23834 PWs) bands (ev): -40.6314 -40.6314 -40.6294 -40.6294 -40.6049 -40.6049 -40.6031 -40.6031 -22.6537 -22.6537 -22.6116 -22.6116 -9.3688 -9.3688 -9.2397 -9.2397 -7.4561 -7.4561 -7.3233 -7.3233 -7.2819 -7.2819 -7.1189 -7.1189 -0.9837 -0.9837 -0.8963 -0.8963 3.0625 3.0625 3.4916 3.4916 3.9546 3.9546 4.4395 4.4395 5.0137 5.0137 5.7109 5.7109 6.2505 6.2505 7.2165 7.2165 7.2348 7.2348 7.8292 7.8292 k = 0.0000 0.3792 0.1024 ( 23836 PWs) bands (ev): -40.6314 -40.6314 -40.6294 -40.6294 -40.6048 -40.6048 -40.6031 -40.6031 -22.6531 -22.6531 -22.6122 -22.6122 -9.3670 -9.3670 -9.2417 -9.2417 -7.4535 -7.4535 -7.3248 -7.3248 -7.2804 -7.2804 -7.1227 -7.1227 -0.9785 -0.9785 -0.8907 -0.8907 3.0246 3.0246 3.4866 3.4866 4.0234 4.0234 4.4486 4.4486 4.9844 4.9844 5.6709 5.6709 6.2559 6.2559 7.1856 7.1856 7.2601 7.2601 7.8337 7.8337 k = 0.0000 0.3792 0.1170 ( 23836 PWs) bands (ev): -40.6314 -40.6314 -40.6295 -40.6295 -40.6048 -40.6048 -40.6032 -40.6032 -22.6524 -22.6524 -22.6129 -22.6129 -9.3650 -9.3650 -9.2440 -9.2440 -7.4505 -7.4505 -7.3265 -7.3265 -7.2786 -7.2786 -7.1269 -7.1269 -0.9726 -0.9726 -0.8847 -0.8847 2.9894 2.9894 3.4799 3.4799 4.0934 4.0934 4.4593 4.4593 4.9536 4.9536 5.6274 5.6274 6.2615 6.2615 7.1459 7.1459 7.2951 7.2951 7.8408 7.8408 k = 0.0000 0.3792 0.1317 ( 23860 PWs) bands (ev): -40.6314 -40.6314 -40.6295 -40.6295 -40.6048 -40.6048 -40.6032 -40.6032 -22.6516 -22.6516 -22.6137 -22.6137 -9.3627 -9.3627 -9.2465 -9.2465 -7.4472 -7.4472 -7.3284 -7.3284 -7.2767 -7.2767 -7.1316 -7.1316 -0.9660 -0.9660 -0.8784 -0.8784 2.9577 2.9577 3.4709 3.4709 4.1636 4.1636 4.4714 4.4714 4.9225 4.9225 5.5811 5.5811 6.2672 6.2672 7.1029 7.1029 7.3348 7.3348 7.8479 7.8479 k = 0.0000 0.3792 0.1463 ( 23860 PWs) bands (ev): -40.6313 -40.6313 -40.6296 -40.6296 -40.6047 -40.6047 -40.6032 -40.6032 -22.6507 -22.6507 -22.6146 -22.6146 -9.3601 -9.3601 -9.2492 -9.2492 -7.4436 -7.4436 -7.3304 -7.3304 -7.2747 -7.2747 -7.1367 -7.1367 -0.9589 -0.9589 -0.8719 -0.8719 2.9298 2.9298 3.4594 3.4594 4.2332 4.2332 4.4852 4.4852 4.8921 4.8921 5.5327 5.5327 6.2730 6.2730 7.0578 7.0578 7.3788 7.3788 7.8278 7.8278 k = 0.0000 0.3792 0.1609 ( 23848 PWs) bands (ev): -40.6313 -40.6313 -40.6296 -40.6296 -40.6047 -40.6047 -40.6033 -40.6033 -22.6498 -22.6498 -22.6155 -22.6155 -9.3574 -9.3574 -9.2522 -9.2522 -7.4397 -7.4397 -7.3326 -7.3326 -7.2724 -7.2724 -7.1421 -7.1421 -0.9512 -0.9512 -0.8656 -0.8656 2.9062 2.9062 3.4449 3.4449 4.3013 4.3013 4.5006 4.5006 4.8633 4.8633 5.4828 5.4828 6.2793 6.2793 7.0111 7.0111 7.4266 7.4266 7.7674 7.7675 k = 0.0000 0.3792 0.1756 ( 23848 PWs) bands (ev): -40.6312 -40.6312 -40.6297 -40.6297 -40.6047 -40.6047 -40.6033 -40.6033 -22.6488 -22.6488 -22.6165 -22.6165 -9.3544 -9.3544 -9.2554 -9.2554 -7.4355 -7.4355 -7.3349 -7.3349 -7.2699 -7.2699 -7.1479 -7.1479 -0.9431 -0.9431 -0.8594 -0.8594 2.8870 2.8870 3.4272 3.4272 4.3671 4.3671 4.5176 4.5176 4.8369 4.8369 5.4319 5.4319 6.2860 6.2860 6.9634 6.9634 7.4776 7.4776 7.7073 7.7073 k = 0.0000 0.3792 0.1902 ( 23854 PWs) bands (ev): -40.6312 -40.6312 -40.6297 -40.6297 -40.6046 -40.6046 -40.6034 -40.6034 -22.6477 -22.6477 -22.6176 -22.6176 -9.3511 -9.3511 -9.2589 -9.2589 -7.4311 -7.4311 -7.3374 -7.3374 -7.2673 -7.2673 -7.1539 -7.1539 -0.9347 -0.9347 -0.8536 -0.8536 2.8726 2.8726 3.4060 3.4060 4.4297 4.4297 4.5363 4.5363 4.8138 4.8138 5.3805 5.3805 6.2934 6.2934 6.9154 6.9154 7.5289 7.5289 7.6569 7.6569 k = 0.0000 0.3792 0.2048 ( 23852 PWs) bands (ev): -40.6311 -40.6311 -40.6298 -40.6298 -40.6046 -40.6046 -40.6034 -40.6034 -22.6465 -22.6465 -22.6188 -22.6188 -9.3477 -9.3477 -9.2625 -9.2625 -7.4265 -7.4265 -7.3401 -7.3401 -7.2644 -7.2644 -7.1601 -7.1601 -0.9259 -0.9259 -0.8484 -0.8484 2.8630 2.8630 3.3813 3.3813 4.4884 4.4884 4.5568 4.5568 4.7944 4.7944 5.3289 5.3289 6.3017 6.3017 6.8676 6.8676 7.5618 7.5618 7.6367 7.6367 k = 0.0000 0.3792 0.2194 ( 23864 PWs) bands (ev): -40.6311 -40.6311 -40.6298 -40.6298 -40.6045 -40.6045 -40.6035 -40.6035 -22.6453 -22.6453 -22.6200 -22.6200 -9.3441 -9.3441 -9.2664 -9.2664 -7.4217 -7.4217 -7.3430 -7.3430 -7.2614 -7.2614 -7.1665 -7.1665 -0.9170 -0.9170 -0.8439 -0.8439 2.8584 2.8584 3.3531 3.3531 4.5424 4.5424 4.5790 4.5790 4.7790 4.7790 5.2776 5.2776 6.3112 6.3112 6.8205 6.8205 7.5459 7.5459 7.6781 7.6781 k = 0.0000 0.3792 0.2341 ( 23872 PWs) bands (ev): -40.6310 -40.6310 -40.6299 -40.6299 -40.6045 -40.6045 -40.6035 -40.6035 -22.6441 -22.6441 -22.6213 -22.6213 -9.3403 -9.3403 -9.2703 -9.2703 -7.4168 -7.4168 -7.3460 -7.3460 -7.2581 -7.2581 -7.1729 -7.1729 -0.9080 -0.9080 -0.8401 -0.8401 2.8586 2.8586 3.3217 3.3217 4.5909 4.5909 4.6031 4.6031 4.7676 4.7676 5.2267 5.2267 6.3221 6.3221 6.7744 6.7744 7.5216 7.5216 7.7411 7.7411 k = 0.0000 0.3792 0.2487 ( 23882 PWs) bands (ev): -40.6309 -40.6309 -40.6300 -40.6300 -40.6044 -40.6044 -40.6036 -40.6036 -22.6427 -22.6427 -22.6226 -22.6226 -9.3364 -9.3364 -9.2745 -9.2745 -7.4118 -7.4118 -7.3492 -7.3492 -7.2546 -7.2546 -7.1794 -7.1794 -0.8991 -0.8991 -0.8373 -0.8373 2.8638 2.8638 3.2875 3.2875 4.6287 4.6287 4.6339 4.6339 4.7602 4.7602 5.1766 5.1766 6.3345 6.3345 6.7298 6.7298 7.5046 7.5046 7.8103 7.8103 k = 0.0000 0.3792 0.2633 ( 23892 PWs) bands (ev): -40.6309 -40.6309 -40.6300 -40.6300 -40.6044 -40.6044 -40.6036 -40.6036 -22.6414 -22.6414 -22.6240 -22.6240 -9.3323 -9.3323 -9.2787 -9.2787 -7.4068 -7.4068 -7.3526 -7.3526 -7.2508 -7.2508 -7.1860 -7.1860 -0.8903 -0.8903 -0.8355 -0.8355 2.8738 2.8738 3.2510 3.2510 4.6565 4.6565 4.6701 4.6701 4.7562 4.7562 5.1275 5.1275 6.3487 6.3487 6.6870 6.6870 7.4976 7.4976 7.8825 7.8825 k = 0.0000 0.3792 0.2780 ( 23874 PWs) bands (ev): -40.6308 -40.6308 -40.6301 -40.6301 -40.6043 -40.6043 -40.6037 -40.6037 -22.6400 -22.6400 -22.6253 -22.6253 -9.3281 -9.3281 -9.2831 -9.2831 -7.4017 -7.4017 -7.3562 -7.3562 -7.2468 -7.2468 -7.1924 -7.1924 -0.8818 -0.8818 -0.8348 -0.8348 2.8885 2.8885 3.2129 3.2129 4.6860 4.6860 4.6999 4.6999 4.7552 4.7552 5.0795 5.0795 6.3647 6.3647 6.6463 6.6463 7.5011 7.5011 7.9453 7.9454 k = 0.0000 0.3792 0.2926 ( 23864 PWs) bands (ev): -40.6307 -40.6307 -40.6302 -40.6302 -40.6042 -40.6042 -40.6037 -40.6037 -22.6386 -22.6386 -22.6268 -22.6268 -9.3238 -9.3238 -9.2875 -9.2875 -7.3966 -7.3966 -7.3600 -7.3600 -7.2425 -7.2425 -7.1988 -7.1988 -0.8736 -0.8736 -0.8351 -0.8351 2.9076 2.9076 3.1738 3.1738 4.7173 4.7173 4.7234 4.7234 4.7563 4.7563 5.0329 5.0329 6.3827 6.3827 6.6077 6.6077 7.5154 7.5154 7.9138 7.9138 k = 0.0000 0.3792 0.3072 ( 23856 PWs) bands (ev): -40.6307 -40.6307 -40.6302 -40.6302 -40.6042 -40.6042 -40.6038 -40.6038 -22.6371 -22.6371 -22.6282 -22.6282 -9.3194 -9.3194 -9.2920 -9.2920 -7.3916 -7.3916 -7.3640 -7.3640 -7.2379 -7.2379 -7.2050 -7.2050 -0.8660 -0.8660 -0.8365 -0.8365 2.9309 2.9309 3.1344 3.1344 4.7405 4.7405 4.7506 4.7506 4.7587 4.7587 4.9876 4.9876 6.4029 6.4029 6.5714 6.5714 7.5401 7.5401 7.8534 7.8534 k = 0.0000 0.3792 0.3219 ( 23858 PWs) bands (ev): -40.6306 -40.6306 -40.6303 -40.6303 -40.6041 -40.6041 -40.6039 -40.6039 -22.6356 -22.6356 -22.6297 -22.6297 -9.3149 -9.3149 -9.2966 -9.2966 -7.3866 -7.3866 -7.3682 -7.3682 -7.2331 -7.2331 -7.2111 -7.2111 -0.8590 -0.8590 -0.8391 -0.8391 2.9580 2.9580 3.0956 3.0956 4.7523 4.7523 4.7610 4.7610 4.7859 4.7859 4.9439 4.9439 6.4252 6.4252 6.5374 6.5374 7.5748 7.5748 7.7897 7.7897 k = 0.0000 0.3792 0.3365 ( 23856 PWs) bands (ev): -40.6305 -40.6305 -40.6304 -40.6304 -40.6041 -40.6041 -40.6039 -40.6039 -22.6342 -22.6342 -22.6312 -22.6312 -9.3104 -9.3104 -9.3012 -9.3012 -7.3818 -7.3818 -7.3726 -7.3726 -7.2280 -7.2280 -7.2170 -7.2170 -0.8527 -0.8527 -0.8426 -0.8426 2.9885 2.9885 3.0579 3.0579 4.7593 4.7593 4.7627 4.7627 4.8227 4.8227 4.9018 4.9018 6.4498 6.4498 6.5059 6.5059 7.6184 7.6184 7.7276 7.7276 k = 0.0000 0.3792 0.3511 ( 23848 PWs) bands (ev): -40.6304 -40.6304 -40.6304 -40.6304 -40.6040 -40.6040 -40.6040 -40.6040 -22.6327 -22.6327 -22.6327 -22.6327 -9.3058 -9.3058 -9.3058 -9.3058 -7.3771 -7.3771 -7.3771 -7.3771 -7.2226 -7.2226 -7.2226 -7.2226 -0.8472 -0.8472 -0.8472 -0.8472 3.0220 3.0220 3.0220 3.0220 4.7624 4.7624 4.7624 4.7624 4.8614 4.8614 4.8614 4.8614 6.4767 6.4767 6.4767 6.4767 7.6698 7.6698 7.6698 7.6698 k = 0.5000-0.0000 0.3511 ( 23828 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3429 -9.3429 -7.4672 -7.4672 -7.4672 -7.4672 -7.2066 -7.2066 -7.2066 -7.2066 -0.6694 -0.6694 -0.6694 -0.6694 2.9144 2.9144 2.9144 2.9144 4.3098 4.3098 4.3098 4.3098 4.7132 4.7132 4.7132 4.7132 6.2696 6.2696 6.2696 6.2696 6.5376 6.5376 6.5376 6.5376 k = 0.5000-0.0000 0.3365 ( 23832 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3430 -9.3430 -9.3428 -9.3428 -7.4694 -7.4694 -7.4646 -7.4646 -7.2094 -7.2094 -7.2044 -7.2044 -0.6706 -0.6706 -0.6692 -0.6692 2.9161 2.9161 2.9163 2.9163 4.3066 4.3066 4.3074 4.3074 4.7128 4.7128 4.7177 4.7177 6.2661 6.2661 6.2691 6.2691 6.5373 6.5373 6.5413 6.5413 k = 0.5000-0.0000 0.3219 ( 23838 PWs) bands (ev): -40.6174 -40.6174 -40.6174 -40.6174 -40.6171 -40.6171 -40.6171 -40.6171 -22.6257 -22.6257 -22.6257 -22.6257 -9.3429 -9.3429 -9.3426 -9.3426 -7.4711 -7.4711 -7.4616 -7.4616 -7.2126 -7.2126 -7.2027 -7.2027 -0.6727 -0.6727 -0.6700 -0.6700 2.9214 2.9214 2.9217 2.9217 4.2984 4.2984 4.2997 4.2997 4.7164 4.7164 4.7260 4.7260 6.2590 6.2590 6.2646 6.2646 6.5405 6.5405 6.5480 6.5480 k = 0.5000-0.0000 0.3072 ( 23834 PWs) bands (ev): -40.6174 -40.6174 -40.6174 -40.6174 -40.6170 -40.6170 -40.6170 -40.6170 -22.6257 -22.6257 -22.6257 -22.6257 -9.3428 -9.3428 -9.3423 -9.3423 -7.4724 -7.4724 -7.4582 -7.4582 -7.2163 -7.2163 -7.2016 -7.2016 -0.6757 -0.6757 -0.6716 -0.6716 2.9300 2.9300 2.9305 2.9305 4.2861 4.2861 4.2876 4.2876 4.7232 4.7232 4.7370 4.7370 6.2489 6.2489 6.2566 6.2566 6.5467 6.5467 6.5572 6.5572 k = 0.5000-0.0000 0.2926 ( 23808 PWs) bands (ev): -40.6175 -40.6175 -40.6175 -40.6175 -40.6169 -40.6169 -40.6169 -40.6169 -22.6257 -22.6257 -22.6257 -22.6257 -9.3427 -9.3427 -9.3420 -9.3420 -7.4732 -7.4732 -7.4544 -7.4544 -7.2204 -7.2204 -7.2009 -7.2009 -0.6796 -0.6796 -0.6743 -0.6743 2.9420 2.9420 2.9427 2.9427 4.2706 4.2706 4.2719 4.2719 4.7320 4.7320 4.7495 4.7495 6.2364 6.2364 6.2456 6.2456 6.5554 6.5554 6.5682 6.5682 k = 0.5000-0.0000 0.2780 ( 23794 PWs) bands (ev): -40.6175 -40.6175 -40.6175 -40.6175 -40.6169 -40.6169 -40.6169 -40.6169 -22.6257 -22.6257 -22.6257 -22.6257 -9.3424 -9.3424 -9.3416 -9.3416 -7.4736 -7.4736 -7.4503 -7.4503 -7.2250 -7.2250 -7.2009 -7.2009 -0.6842 -0.6842 -0.6777 -0.6777 2.9570 2.9570 2.9581 2.9581 4.2532 4.2532 4.2541 4.2541 4.7416 4.7416 4.7623 4.7623 6.2221 6.2221 6.2323 6.2323 6.5660 6.5660 6.5804 6.5804 k = 0.5000-0.0000 0.2633 ( 23806 PWs) bands (ev): -40.6176 -40.6176 -40.6176 -40.6176 -40.6168 -40.6168 -40.6168 -40.6168 -22.6257 -22.6257 -22.6257 -22.6257 -9.3421 -9.3421 -9.3411 -9.3411 -7.4735 -7.4735 -7.4459 -7.4459 -7.2299 -7.2299 -7.2013 -7.2013 -0.6895 -0.6895 -0.6820 -0.6820 2.9750 2.9750 2.9764 2.9764 4.2349 4.2349 4.2350 4.2350 4.7508 4.7508 4.7742 4.7742 6.2066 6.2066 6.2172 6.2172 6.5778 6.5778 6.5932 6.5932 k = 0.5000-0.0000 0.2487 ( 23798 PWs) bands (ev): -40.6177 -40.6177 -40.6177 -40.6177 -40.6168 -40.6168 -40.6168 -40.6168 -22.6257 -22.6257 -22.6257 -22.6257 -9.3417 -9.3417 -9.3407 -9.3407 -7.4730 -7.4730 -7.4412 -7.4412 -7.2351 -7.2351 -7.2023 -7.2023 -0.6953 -0.6953 -0.6869 -0.6869 2.9955 2.9955 2.9973 2.9973 4.2158 4.2158 4.2167 4.2167 4.7585 4.7585 4.7841 4.7841 6.1901 6.1901 6.2009 6.2009 6.5905 6.5905 6.6063 6.6063 k = 0.5000-0.0000 0.2341 ( 23794 PWs) bands (ev): -40.6177 -40.6177 -40.6177 -40.6177 -40.6167 -40.6167 -40.6167 -40.6167 -22.6257 -22.6257 -22.6257 -22.6257 -9.3413 -9.3413 -9.3401 -9.3401 -7.4719 -7.4719 -7.4363 -7.4363 -7.2407 -7.2407 -7.2039 -7.2039 -0.7016 -0.7016 -0.6925 -0.6925 3.0182 3.0182 3.0206 3.0206 4.1974 4.1974 4.1992 4.1992 4.7639 4.7639 4.7913 4.7913 6.1730 6.1730 6.1836 6.1836 6.6036 6.6036 6.6193 6.6193 k = 0.5000-0.0000 0.2194 ( 23816 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6257 -22.6257 -22.6257 -22.6257 -9.3408 -9.3408 -9.3396 -9.3396 -7.4704 -7.4704 -7.4311 -7.4311 -7.2464 -7.2464 -7.2059 -7.2059 -0.7083 -0.7083 -0.6986 -0.6986 3.0427 3.0427 3.0457 3.0457 4.1804 4.1804 4.1833 4.1833 4.7664 4.7664 4.7951 4.7951 6.1554 6.1554 6.1656 6.1656 6.6168 6.6168 6.6321 6.6321 k = 0.5000-0.0000 0.2048 ( 23798 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6257 -22.6257 -22.6257 -22.6257 -9.3403 -9.3403 -9.3390 -9.3390 -7.4685 -7.4685 -7.4259 -7.4259 -7.2524 -7.2524 -7.2085 -7.2085 -0.7151 -0.7151 -0.7050 -0.7050 3.0687 3.0687 3.0723 3.0723 4.1655 4.1655 4.1694 4.1694 4.7653 4.7653 4.7949 4.7949 6.1375 6.1375 6.1470 6.1470 6.6301 6.6301 6.6446 6.6446 k = 0.5000-0.0000 0.1902 ( 23794 PWs) bands (ev): -40.6179 -40.6179 -40.6179 -40.6179 -40.6165 -40.6165 -40.6165 -40.6165 -22.6257 -22.6257 -22.6257 -22.6257 -9.3398 -9.3398 -9.3384 -9.3384 -7.4661 -7.4661 -7.4205 -7.4205 -7.2584 -7.2584 -7.2115 -7.2115 -0.7221 -0.7221 -0.7118 -0.7118 3.0956 3.0956 3.0999 3.0999 4.1534 4.1534 4.1583 4.1583 4.7603 4.7603 4.7905 4.7905 6.1192 6.1192 6.1281 6.1281 6.6431 6.6431 6.6565 6.6565 k = 0.5000-0.0000 0.1756 ( 23786 PWs) bands (ev): -40.6179 -40.6179 -40.6179 -40.6179 -40.6165 -40.6165 -40.6165 -40.6165 -22.6257 -22.6257 -22.6257 -22.6257 -9.3392 -9.3392 -9.3379 -9.3379 -7.4632 -7.4632 -7.4152 -7.4152 -7.2644 -7.2644 -7.2151 -7.2151 -0.7290 -0.7290 -0.7187 -0.7187 3.1229 3.1229 3.1278 3.1278 4.1446 4.1446 4.1503 4.1503 4.7513 4.7513 4.7815 4.7815 6.1007 6.1007 6.1089 6.1089 6.6559 6.6559 6.6680 6.6680 k = 0.5000-0.0000 0.1609 ( 23802 PWs) bands (ev): -40.6180 -40.6180 -40.6180 -40.6180 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3387 -9.3387 -9.3373 -9.3373 -7.4599 -7.4599 -7.4100 -7.4100 -7.2703 -7.2703 -7.2190 -7.2190 -0.7358 -0.7358 -0.7256 -0.7256 3.1500 3.1500 3.1556 3.1556 4.1396 4.1396 4.1459 4.1459 4.7382 4.7382 4.7680 4.7680 6.0822 6.0822 6.0896 6.0896 6.6681 6.6681 6.6789 6.6789 k = 0.5000-0.0000 0.1463 ( 23798 PWs) bands (ev): -40.6180 -40.6180 -40.6180 -40.6180 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3381 -9.3381 -9.3367 -9.3367 -7.4562 -7.4562 -7.4050 -7.4050 -7.2759 -7.2759 -7.2234 -7.2234 -0.7423 -0.7423 -0.7324 -0.7324 3.1764 3.1764 3.1825 3.1825 4.1388 4.1388 4.1455 4.1455 4.7210 4.7210 4.7501 4.7501 6.0638 6.0638 6.0704 6.0704 6.6797 6.6797 6.6891 6.6891 k = 0.5000-0.0000 0.1317 ( 23798 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3375 -9.3375 -9.3362 -9.3362 -7.4521 -7.4521 -7.4005 -7.4005 -7.2810 -7.2810 -7.2281 -7.2281 -0.7485 -0.7485 -0.7390 -0.7390 3.2016 3.2016 3.2081 3.2081 4.1426 4.1426 4.1494 4.1494 4.6998 4.6998 4.7278 4.7278 6.0458 6.0458 6.0517 6.0517 6.6906 6.6906 6.6986 6.6986 k = 0.5000-0.0000 0.1170 ( 23784 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6257 -22.6257 -22.6257 -22.6257 -9.3370 -9.3370 -9.3358 -9.3358 -7.4477 -7.4477 -7.3965 -7.3965 -7.2855 -7.2855 -7.2332 -7.2332 -0.7542 -0.7542 -0.7454 -0.7454 3.2251 3.2251 3.2317 3.2317 4.1513 4.1513 4.1578 4.1578 4.6750 4.6750 4.7016 4.7016 6.0284 6.0284 6.0336 6.0336 6.7006 6.7006 6.7072 6.7072 k = 0.5000-0.0000 0.1024 ( 23796 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6257 -22.6257 -22.6257 -22.6257 -9.3364 -9.3364 -9.3353 -9.3353 -7.4429 -7.4429 -7.3935 -7.3935 -7.2891 -7.2891 -7.2386 -7.2386 -0.7593 -0.7593 -0.7513 -0.7513 3.2465 3.2465 3.2530 3.2530 4.1648 4.1648 4.1708 4.1708 4.6469 4.6469 4.6717 4.6717 6.0121 6.0121 6.0166 6.0166 6.7096 6.7096 6.7151 6.7151 k = 0.5000-0.0000 0.0878 ( 23776 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6258 -22.6258 -22.6258 -22.6258 -9.3360 -9.3360 -9.3350 -9.3350 -7.4378 -7.4378 -7.3915 -7.3915 -7.2915 -7.2915 -7.2442 -7.2442 -0.7639 -0.7639 -0.7567 -0.7567 3.2654 3.2654 3.2716 3.2716 4.1833 4.1833 4.1882 4.1882 4.6160 4.6160 4.6386 4.6386 5.9971 5.9971 6.0009 6.0009 6.7176 6.7176 6.7220 6.7220 k = 0.5000-0.0000 0.0731 ( 23792 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3355 -9.3355 -9.3347 -9.3347 -7.4326 -7.4326 -7.3908 -7.3908 -7.2926 -7.2926 -7.2500 -7.2500 -0.7677 -0.7677 -0.7616 -0.7616 3.2816 3.2816 3.2873 3.2873 4.2062 4.2062 4.2099 4.2099 4.5827 4.5827 4.6031 4.6031 5.9838 5.9838 5.9869 5.9869 6.7244 6.7244 6.7278 6.7278 k = 0.5000-0.0000 0.0585 ( 23780 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3351 -9.3351 -9.3344 -9.3344 -7.4271 -7.4271 -7.3915 -7.3915 -7.2922 -7.2922 -7.2559 -7.2559 -0.7708 -0.7708 -0.7658 -0.7658 3.2951 3.2951 3.2999 3.2999 4.2330 4.2330 4.2351 4.2351 4.5480 4.5480 4.5658 4.5658 5.9725 5.9725 5.9750 5.9750 6.7301 6.7301 6.7327 6.7327 k = 0.5000-0.0000 0.0439 ( 23780 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3348 -9.3348 -9.3342 -9.3342 -7.4216 -7.4216 -7.3935 -7.3935 -7.2904 -7.2904 -7.2618 -7.2618 -0.7731 -0.7731 -0.7692 -0.7692 3.3056 3.3056 3.3094 3.3094 4.2627 4.2627 4.2631 4.2631 4.5128 4.5128 4.5277 4.5277 5.9634 5.9634 5.9653 5.9653 6.7346 6.7346 6.7364 6.7364 k = 0.5000-0.0000 0.0293 ( 23790 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3345 -9.3345 -9.3342 -9.3342 -7.4160 -7.4160 -7.3966 -7.3966 -7.2874 -7.2874 -7.2677 -7.2677 -0.7746 -0.7746 -0.7720 -0.7720 3.3134 3.3134 3.3160 3.3160 4.2920 4.2920 4.2933 4.2933 4.4791 4.4791 4.4908 4.4908 5.9569 5.9569 5.9582 5.9582 6.7379 6.7379 6.7391 6.7391 k = 0.5000-0.0000 0.0146 ( 23818 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3343 -9.3343 -9.3341 -9.3341 -7.4106 -7.4106 -7.4007 -7.4007 -7.2834 -7.2834 -7.2733 -7.2733 -0.7752 -0.7752 -0.7739 -0.7739 3.3182 3.3182 3.3196 3.3196 4.3181 4.3181 4.3201 4.3201 4.4516 4.4516 4.4588 4.4588 5.9531 5.9531 5.9537 5.9537 6.7400 6.7400 6.7406 6.7406 k = 0.5000-0.0000-0.0000 ( 23816 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6258 -22.6258 -22.6258 -22.6258 -9.3342 -9.3342 -9.3342 -9.3342 -7.4054 -7.4054 -7.4054 -7.4054 -7.2786 -7.2786 -7.2786 -7.2786 -0.7749 -0.7749 -0.7749 -0.7749 3.3203 3.3203 3.3203 3.3203 4.3313 4.3313 4.3313 4.3313 4.4419 4.4419 4.4419 4.4419 5.9520 5.9520 5.9520 5.9520 6.7409 6.7409 6.7409 6.7409 k = 0.5000 0.3792-0.0000 ( 23840 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3353 -9.3353 -9.3353 -9.3353 -7.4055 -7.4055 -7.4055 -7.4055 -7.2828 -7.2828 -7.2828 -7.2828 -0.8661 -0.8661 -0.8661 -0.8661 3.8255 3.8255 3.8255 3.8255 4.4453 4.4453 4.4453 4.4453 4.7807 4.7807 4.7807 4.7807 5.8670 5.8670 5.8670 5.8670 6.2581 6.2581 6.2581 6.2581 k = 0.5000 0.3792 0.0146 ( 23836 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3355 -9.3355 -9.3353 -9.3353 -7.4110 -7.4110 -7.4005 -7.4005 -7.2880 -7.2880 -7.2772 -7.2772 -0.8664 -0.8664 -0.8649 -0.8649 3.8245 3.8245 3.8263 3.8263 4.4363 4.4363 4.4434 4.4434 4.7810 4.7810 4.7887 4.7887 5.8620 5.8620 5.8674 5.8674 6.2602 6.2602 6.2666 6.2666 k = 0.5000 0.3792 0.0293 ( 23836 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3357 -9.3357 -9.3353 -9.3353 -7.4166 -7.4166 -7.3960 -7.3960 -7.2924 -7.2924 -7.2714 -7.2714 -0.8659 -0.8659 -0.8630 -0.8630 3.8233 3.8233 3.8268 3.8268 4.4179 4.4179 4.4308 4.4308 4.7890 4.7890 4.8032 4.8032 5.8535 5.8535 5.8636 5.8636 6.2726 6.2726 6.2845 6.2845 k = 0.5000 0.3792 0.0439 ( 23832 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3359 -9.3359 -9.3354 -9.3354 -7.4223 -7.4223 -7.3923 -7.3923 -7.2959 -7.2959 -7.2654 -7.2654 -0.8646 -0.8646 -0.8604 -0.8604 3.8218 3.8218 3.8271 3.8271 4.3927 4.3927 4.4096 4.4096 4.8023 4.8023 4.8212 4.8212 5.8440 5.8440 5.8575 5.8575 6.2937 6.2937 6.3099 6.3099 k = 0.5000 0.3792 0.0585 ( 23840 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3363 -9.3363 -9.3355 -9.3355 -7.4280 -7.4280 -7.3898 -7.3898 -7.2983 -7.2983 -7.2594 -7.2594 -0.8625 -0.8625 -0.8570 -0.8570 3.8200 3.8200 3.8271 3.8271 4.3630 4.3630 4.3823 4.3823 4.8180 4.8180 4.8399 4.8399 5.8364 5.8364 5.8521 5.8521 6.3216 6.3216 6.3409 6.3409 k = 0.5000 0.3792 0.0731 ( 23844 PWs) bands (ev): -40.6182 -40.6182 -40.6182 -40.6182 -40.6162 -40.6162 -40.6162 -40.6162 -22.6257 -22.6257 -22.6257 -22.6257 -9.3366 -9.3366 -9.3358 -9.3358 -7.4335 -7.4335 -7.3887 -7.3887 -7.2992 -7.2992 -7.2535 -7.2535 -0.8596 -0.8596 -0.8530 -0.8530 3.8179 3.8179 3.8268 3.8268 4.3308 4.3308 4.3512 4.3512 4.8331 4.8331 4.8568 4.8568 5.8334 5.8334 5.8503 5.8503 6.3542 6.3542 6.3757 6.3757 k = 0.5000 0.3792 0.0878 ( 23812 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6257 -22.6257 -22.6257 -22.6257 -9.3371 -9.3371 -9.3361 -9.3361 -7.4388 -7.4388 -7.3890 -7.3890 -7.2985 -7.2985 -7.2478 -7.2478 -0.8561 -0.8561 -0.8483 -0.8483 3.8154 3.8154 3.8262 3.8262 4.2972 4.2972 4.3179 4.3179 4.8456 4.8456 4.8700 4.8700 5.8370 5.8370 5.8543 5.8543 6.3903 6.3903 6.4131 6.4131 k = 0.5000 0.3792 0.1024 ( 23812 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6257 -22.6257 -22.6257 -22.6257 -9.3375 -9.3375 -9.3364 -9.3364 -7.4439 -7.4439 -7.3908 -7.3908 -7.2964 -7.2964 -7.2422 -7.2422 -0.8519 -0.8519 -0.8431 -0.8431 3.8124 3.8124 3.8252 3.8252 4.2633 4.2633 4.2835 4.2835 4.8540 4.8540 4.8784 4.8784 5.8490 5.8490 5.8660 5.8660 6.4287 6.4287 6.4523 6.4523 k = 0.5000 0.3792 0.1170 ( 23796 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6163 -40.6163 -40.6163 -40.6163 -22.6257 -22.6257 -22.6257 -22.6257 -9.3381 -9.3381 -9.3368 -9.3368 -7.4486 -7.4486 -7.3937 -7.3937 -7.2930 -7.2930 -7.2369 -7.2369 -0.8471 -0.8471 -0.8375 -0.8375 3.8090 3.8090 3.8237 3.8237 4.2297 4.2297 4.2489 4.2489 4.8575 4.8575 4.8814 4.8814 5.8701 5.8701 5.8865 5.8865 6.4689 6.4689 6.4928 6.4928 k = 0.5000 0.3792 0.1317 ( 23804 PWs) bands (ev): -40.6181 -40.6181 -40.6181 -40.6181 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3386 -9.3386 -9.3373 -9.3373 -7.4530 -7.4530 -7.3976 -7.3976 -7.2886 -7.2886 -7.2320 -7.2320 -0.8417 -0.8417 -0.8315 -0.8315 3.8050 3.8050 3.8216 3.8216 4.1971 4.1971 4.2148 4.2148 4.8561 4.8561 4.8791 4.8791 5.9007 5.9007 5.9161 5.9161 6.5105 6.5105 6.5344 6.5344 k = 0.5000 0.3792 0.1463 ( 23804 PWs) bands (ev): -40.6180 -40.6180 -40.6180 -40.6180 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3391 -9.3391 -9.3378 -9.3378 -7.4570 -7.4570 -7.4023 -7.4023 -7.2835 -7.2835 -7.2274 -7.2274 -0.8360 -0.8360 -0.8252 -0.8252 3.8004 3.8004 3.8190 3.8190 4.1658 4.1658 4.1816 4.1816 4.8502 4.8502 4.8720 4.8720 5.9404 5.9404 5.9547 5.9547 6.5534 6.5534 6.5771 6.5771 k = 0.5000 0.3792 0.1609 ( 23792 PWs) bands (ev): -40.6180 -40.6180 -40.6180 -40.6180 -40.6164 -40.6164 -40.6164 -40.6164 -22.6257 -22.6257 -22.6257 -22.6257 -9.3397 -9.3397 -9.3383 -9.3383 -7.4607 -7.4607 -7.4073 -7.4073 -7.2779 -7.2779 -7.2231 -7.2231 -0.8299 -0.8299 -0.8188 -0.8188 3.7951 3.7951 3.8156 3.8156 4.1363 4.1363 4.1498 4.1498 4.8407 4.8407 4.8610 4.8610 5.9883 5.9883 6.0016 6.0016 6.5976 6.5976 6.6208 6.6208 k = 0.5000 0.3792 0.1756 ( 23788 PWs) bands (ev): -40.6179 -40.6179 -40.6179 -40.6179 -40.6165 -40.6165 -40.6165 -40.6165 -22.6257 -22.6257 -22.6257 -22.6257 -9.3403 -9.3403 -9.3388 -9.3388 -7.4639 -7.4639 -7.4127 -7.4127 -7.2719 -7.2719 -7.2193 -7.2193 -0.8235 -0.8235 -0.8123 -0.8123 3.7892 3.7892 3.8113 3.8113 4.1087 4.1087 4.1197 4.1197 4.8284 4.8284 4.8473 4.8473 6.0436 6.0436 6.0559 6.0559 6.6432 6.6432 6.6658 6.6658 k = 0.5000 0.3792 0.1902 ( 23784 PWs) bands (ev): -40.6179 -40.6179 -40.6179 -40.6179 -40.6165 -40.6165 -40.6165 -40.6165 -22.6257 -22.6257 -22.6257 -22.6257 -9.3408 -9.3408 -9.3394 -9.3394 -7.4666 -7.4666 -7.4181 -7.4181 -7.2659 -7.2659 -7.2160 -7.2160 -0.8171 -0.8171 -0.8059 -0.8059 3.7826 3.7826 3.8061 3.8061 4.0835 4.0835 4.0918 4.0918 4.8143 4.8143 4.8318 4.8318 6.1052 6.1052 6.1166 6.1166 6.6906 6.6906 6.7122 6.7122 k = 0.5000 0.3792 0.2048 ( 23784 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6256 -22.6256 -22.6256 -22.6256 -9.3413 -9.3413 -9.3399 -9.3399 -7.4690 -7.4690 -7.4236 -7.4236 -7.2598 -7.2598 -7.2131 -7.2131 -0.8106 -0.8106 -0.7996 -0.7996 3.7754 3.7754 3.8000 3.8000 4.0607 4.0607 4.0665 4.0665 4.7994 4.7994 4.8154 4.8154 6.1721 6.1721 6.1827 6.1827 6.7398 6.7398 6.7605 6.7605 k = 0.5000 0.3792 0.2194 ( 23784 PWs) bands (ev): -40.6178 -40.6178 -40.6178 -40.6178 -40.6166 -40.6166 -40.6166 -40.6166 -22.6256 -22.6256 -22.6256 -22.6256 -9.3418 -9.3418 -9.3405 -9.3405 -7.4708 -7.4708 -7.4291 -7.4291 -7.2538 -7.2538 -7.2108 -7.2108 -0.8041 -0.8041 -0.7936 -0.7936 3.7678 3.7678 3.7928 3.7928 4.0405 4.0405 4.0438 4.0438 4.7844 4.7844 4.7988 4.7988 6.2431 6.2431 6.2532 6.2532 6.7914 6.7914 6.8108 6.8108 k = 0.5000 0.3792 0.2341 ( 23772 PWs) bands (ev): -40.6177 -40.6177 -40.6177 -40.6177 -40.6167 -40.6167 -40.6167 -40.6167 -22.6256 -22.6256 -22.6256 -22.6256 -9.3423 -9.3423 -9.3410 -9.3410 -7.4722 -7.4722 -7.4343 -7.4343 -7.2480 -7.2480 -7.2089 -7.2089 -0.7979 -0.7979 -0.7880 -0.7880 3.7599 3.7599 3.7847 3.7847 4.0228 4.0228 4.0242 4.0242 4.7699 4.7699 4.7828 4.7828 6.3175 6.3175 6.3269 6.3269 6.8457 6.8457 6.8636 6.8636 k = 0.5000 0.3792 0.2487 ( 23788 PWs) bands (ev): -40.6177 -40.6177 -40.6177 -40.6177 -40.6167 -40.6167 -40.6167 -40.6167 -22.6256 -22.6256 -22.6256 -22.6256 -9.3427 -9.3427 -9.3415 -9.3415 -7.4731 -7.4731 -7.4394 -7.4394 -7.2424 -7.2424 -7.2076 -7.2076 -0.7920 -0.7920 -0.7829 -0.7829 3.7521 3.7521 3.7760 3.7760 4.0075 4.0075 4.0077 4.0077 4.7564 4.7564 4.7678 4.7678 6.3941 6.3941 6.4029 6.4029 6.9031 6.9031 6.9190 6.9190 k = 0.5000 0.3792 0.2633 ( 23776 PWs) bands (ev): -40.6176 -40.6176 -40.6176 -40.6176 -40.6168 -40.6168 -40.6168 -40.6168 -22.6256 -22.6256 -22.6256 -22.6256 -9.3430 -9.3430 -9.3420 -9.3420 -7.4736 -7.4736 -7.4443 -7.4443 -7.2370 -7.2370 -7.2068 -7.2068 -0.7865 -0.7865 -0.7784 -0.7784 3.7446 3.7446 3.7668 3.7668 3.9937 3.9937 3.9950 3.9950 4.7443 4.7443 4.7541 4.7541 6.4719 6.4719 6.4801 6.4801 6.9640 6.9640 6.9772 6.9772 k = 0.5000 0.3792 0.2780 ( 23776 PWs) bands (ev): -40.6175 -40.6175 -40.6175 -40.6175 -40.6169 -40.6169 -40.6169 -40.6169 -22.6256 -22.6256 -22.6256 -22.6256 -9.3433 -9.3433 -9.3424 -9.3424 -7.4735 -7.4735 -7.4488 -7.4488 -7.2320 -7.2320 -7.2065 -7.2065 -0.7815 -0.7815 -0.7745 -0.7745 3.7379 3.7379 3.7576 3.7576 3.9827 3.9827 3.9846 3.9846 4.7338 4.7338 4.7421 4.7421 6.5498 6.5498 6.5572 6.5572 7.0286 7.0286 7.0374 7.0374 k = 0.5000 0.3792 0.2926 ( 23772 PWs) bands (ev): -40.6175 -40.6175 -40.6175 -40.6175 -40.6169 -40.6169 -40.6169 -40.6169 -22.6256 -22.6256 -22.6256 -22.6256 -9.3435 -9.3435 -9.3428 -9.3428 -7.4730 -7.4730 -7.4531 -7.4531 -7.2274 -7.2274 -7.2067 -7.2067 -0.7772 -0.7772 -0.7714 -0.7714 3.7324 3.7324 3.7489 3.7489 3.9743 3.9743 3.9763 3.9763 4.7253 4.7253 4.7319 4.7319 6.6265 6.6265 6.6329 6.6329 7.0959 7.0959 7.0963 7.0963 k = 0.5000 0.3792 0.3072 ( 23748 PWs) bands (ev): -40.6174 -40.6174 -40.6174 -40.6174 -40.6170 -40.6170 -40.6170 -40.6170 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3432 -9.3432 -7.4720 -7.4720 -7.4570 -7.4570 -7.2231 -7.2231 -7.2076 -7.2076 -0.7735 -0.7735 -0.7691 -0.7691 3.7282 3.7282 3.7410 3.7410 3.9681 3.9681 3.9699 3.9699 4.7186 4.7186 4.7237 4.7237 6.7001 6.7001 6.7052 6.7052 7.1382 7.1382 7.1555 7.1555 k = 0.5000 0.3792 0.3219 ( 23744 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6170 -40.6170 -40.6170 -40.6170 -22.6256 -22.6256 -22.6256 -22.6256 -9.3438 -9.3438 -9.3434 -9.3434 -7.4706 -7.4706 -7.4605 -7.4605 -7.2193 -7.2193 -7.2089 -7.2089 -0.7706 -0.7706 -0.7676 -0.7676 3.7257 3.7257 3.7345 3.7345 3.9640 3.9640 3.9653 3.9653 4.7141 4.7141 4.7175 4.7175 6.7672 6.7672 6.7708 6.7708 7.1318 7.1318 7.1485 7.1485 k = 0.5000 0.3792 0.3365 ( 23764 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3438 -9.3438 -9.3436 -9.3436 -7.4687 -7.4687 -7.4637 -7.4637 -7.2160 -7.2160 -7.2107 -7.2107 -0.7686 -0.7686 -0.7671 -0.7671 3.7250 3.7250 3.7295 3.7295 3.9617 3.9617 3.9625 3.9625 4.7117 4.7117 4.7134 4.7134 6.8203 6.8203 6.8221 6.8221 7.1003 7.1003 7.1069 7.1069 k = 0.5000 0.3792 0.3511 ( 23760 PWs) bands (ev): -40.6173 -40.6173 -40.6173 -40.6173 -40.6171 -40.6171 -40.6171 -40.6171 -22.6256 -22.6256 -22.6256 -22.6256 -9.3437 -9.3437 -9.3437 -9.3437 -7.4664 -7.4664 -7.4664 -7.4664 -7.2131 -7.2131 -7.2131 -7.2131 -0.7674 -0.7674 -0.7674 -0.7674 3.7263 3.7263 3.7263 3.7263 3.9613 3.9613 3.9613 3.9613 4.7115 4.7115 4.7115 4.7115 6.8429 6.8429 6.8429 6.8429 7.0857 7.0857 7.0857 7.0857 Writing output data file BaLi2Si.save init_run : 0.50s CPU 0.73s WALL ( 1 calls) electrons : 523.20s CPU 527.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 523.20s CPU 527.33s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.59s WALL ( 348 calls) cegterg : 460.55s CPU 462.92s WALL ( 501 calls) Called by sum_band: Called by *egterg: h_psi : 348.11s CPU 350.11s WALL ( 8131 calls) s_psi : 21.00s CPU 20.89s WALL ( 8131 calls) g_psi : 1.39s CPU 1.38s WALL ( 7282 calls) cdiaghg : 50.28s CPU 51.06s WALL ( 7630 calls) cegterg:over : 26.84s CPU 26.90s WALL ( 7282 calls) cegterg:upda : 33.66s CPU 33.52s WALL ( 7282 calls) cegterg:last : 15.73s CPU 15.75s WALL ( 1412 calls) cdiaghg:chol : 3.06s CPU 2.98s WALL ( 7630 calls) cdiaghg:inve : 1.80s CPU 1.86s WALL ( 7630 calls) cdiaghg:para : 3.04s CPU 3.12s WALL ( 15260 calls) Called by h_psi: h_psi:vloc : 302.92s CPU 304.94s WALL ( 8131 calls) h_psi:vnl : 43.43s CPU 43.45s WALL ( 8131 calls) add_vuspsi : 21.48s CPU 21.43s WALL ( 8131 calls) General routines calbec : 21.87s CPU 22.00s WALL ( 8131 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 286.00s CPU 287.96s WALL ( 852412 calls) davcio : 0.40s CPU 1.08s WALL ( 696 calls) Parallel routines fft_scatter : 80.70s CPU 81.56s WALL ( 852427 calls) PWSCF : 9m38.42s CPU 10m25.06s WALL This run was terminated on: 14:17: 1 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=