Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 7: 4 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: ./LiFeAs.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 45 45 13 2369 2369 357 Max 46 46 14 2378 2378 363 Sum 1653 1653 481 85497 85497 12961 bravais-lattice index = 14 lattice parameter (alat) = 7.1201 a.u. unit-cell volume = 604.9959 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 7.120110 celldm(2)= 1.000000 celldm(3)= 1.676071 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.676071 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.596633 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027027 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0027027 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027027 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0027027 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027027 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027027 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0027027 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0027027 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0027027 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0027027 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0027027 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027027 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0027027 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0027027 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0027027 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027027 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027027 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027027 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0027027 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027027 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027027 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0027027 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0027027 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0027027 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027027 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027027 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0027027 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0027027 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027027 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027027 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0027027 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027027 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027027 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0027027 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0027027 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027027 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027027 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0027027 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0027027 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027027 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027027 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0027027 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0027027 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027027 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027027 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027027 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027027 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0027027 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027027 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0027027 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027027 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027027 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0027027 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0027027 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027027 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027027 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027027 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0027027 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027027 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027027 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027027 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0027027 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027027 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0027027 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027027 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0027027 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027027 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0027027 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027027 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027027 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027027 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.0119327), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.0238653), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.0357980), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.0477307), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.0596633), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.0715960), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.0835287), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.0954614), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.1073940), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.1193267), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.1312594), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.1431920), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.1551247), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.1670574), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.1789900), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.1909227), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.2028554), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.2147880), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.2267207), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.2386534), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.2505861), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.2625187), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.2744514), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.2863841), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.2983167), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.2983167), wk = 0.0027027 k( 174) = ( 0.0000000 0.0119048 0.2983167), wk = 0.0027027 k( 175) = ( 0.0000000 0.0238095 0.2983167), wk = 0.0027027 k( 176) = ( 0.0000000 0.0357143 0.2983167), wk = 0.0027027 k( 177) = ( 0.0000000 0.0476191 0.2983167), wk = 0.0027027 k( 178) = ( 0.0000000 0.0595238 0.2983167), wk = 0.0027027 k( 179) = ( 0.0000000 0.0714286 0.2983167), wk = 0.0027027 k( 180) = ( 0.0000000 0.0833333 0.2983167), wk = 0.0027027 k( 181) = ( 0.0000000 0.0952381 0.2983167), wk = 0.0027027 k( 182) = ( 0.0000000 0.1071429 0.2983167), wk = 0.0027027 k( 183) = ( 0.0000000 0.1190476 0.2983167), wk = 0.0027027 k( 184) = ( 0.0000000 0.1309524 0.2983167), wk = 0.0027027 k( 185) = ( 0.0000000 0.1428571 0.2983167), wk = 0.0027027 k( 186) = ( 0.0000000 0.1547619 0.2983167), wk = 0.0027027 k( 187) = ( 0.0000000 0.1666667 0.2983167), wk = 0.0027027 k( 188) = ( 0.0000000 0.1785714 0.2983167), wk = 0.0027027 k( 189) = ( 0.0000000 0.1904762 0.2983167), wk = 0.0027027 k( 190) = ( 0.0000000 0.2023810 0.2983167), wk = 0.0027027 k( 191) = ( 0.0000000 0.2142857 0.2983167), wk = 0.0027027 k( 192) = ( 0.0000000 0.2261905 0.2983167), wk = 0.0027027 k( 193) = ( 0.0000000 0.2380952 0.2983167), wk = 0.0027027 k( 194) = ( 0.0000000 0.2500000 0.2983167), wk = 0.0027027 k( 195) = ( 0.0000000 0.2619048 0.2983167), wk = 0.0027027 k( 196) = ( 0.0000000 0.2738095 0.2983167), wk = 0.0027027 k( 197) = ( 0.0000000 0.2857143 0.2983167), wk = 0.0027027 k( 198) = ( 0.0000000 0.2976190 0.2983167), wk = 0.0027027 k( 199) = ( 0.0000000 0.3095238 0.2983167), wk = 0.0027027 k( 200) = ( 0.0000000 0.3214286 0.2983167), wk = 0.0027027 k( 201) = ( 0.0000000 0.3333333 0.2983167), wk = 0.0027027 k( 202) = ( 0.0000000 0.3452381 0.2983167), wk = 0.0027027 k( 203) = ( 0.0000000 0.3571429 0.2983167), wk = 0.0027027 k( 204) = ( 0.0000000 0.3690476 0.2983167), wk = 0.0027027 k( 205) = ( 0.0000000 0.3809524 0.2983167), wk = 0.0027027 k( 206) = ( 0.0000000 0.3928571 0.2983167), wk = 0.0027027 k( 207) = ( 0.0000000 0.4047619 0.2983167), wk = 0.0027027 k( 208) = ( 0.0000000 0.4166667 0.2983167), wk = 0.0027027 k( 209) = ( 0.0000000 0.4285714 0.2983167), wk = 0.0027027 k( 210) = ( 0.0000000 0.4404762 0.2983167), wk = 0.0027027 k( 211) = ( 0.0000000 0.4523810 0.2983167), wk = 0.0027027 k( 212) = ( 0.0000000 0.4642857 0.2983167), wk = 0.0027027 k( 213) = ( 0.0000000 0.4761905 0.2983167), wk = 0.0027027 k( 214) = ( 0.0000000 0.4880952 0.2983167), wk = 0.0027027 k( 215) = ( 0.0000000 0.5000000 0.2983167), wk = 0.0027027 k( 216) = ( 0.0000000 0.5000000 0.2983167), wk = 0.0027027 k( 217) = ( 0.0119048 0.5000000 0.2983167), wk = 0.0027027 k( 218) = ( 0.0238095 0.5000000 0.2983167), wk = 0.0027027 k( 219) = ( 0.0357143 0.5000000 0.2983167), wk = 0.0027027 k( 220) = ( 0.0476191 0.5000000 0.2983167), wk = 0.0027027 k( 221) = ( 0.0595238 0.5000000 0.2983167), wk = 0.0027027 k( 222) = ( 0.0714286 0.5000000 0.2983167), wk = 0.0027027 k( 223) = ( 0.0833333 0.5000000 0.2983167), wk = 0.0027027 k( 224) = ( 0.0952381 0.5000000 0.2983167), wk = 0.0027027 k( 225) = ( 0.1071429 0.5000000 0.2983167), wk = 0.0027027 k( 226) = ( 0.1190476 0.5000000 0.2983167), wk = 0.0027027 k( 227) = ( 0.1309524 0.5000000 0.2983167), wk = 0.0027027 k( 228) = ( 0.1428571 0.5000000 0.2983167), wk = 0.0027027 k( 229) = ( 0.1547619 0.5000000 0.2983167), wk = 0.0027027 k( 230) = ( 0.1666667 0.5000000 0.2983167), wk = 0.0027027 k( 231) = ( 0.1785714 0.5000000 0.2983167), wk = 0.0027027 k( 232) = ( 0.1904762 0.5000000 0.2983167), wk = 0.0027027 k( 233) = ( 0.2023810 0.5000000 0.2983167), wk = 0.0027027 k( 234) = ( 0.2142857 0.5000000 0.2983167), wk = 0.0027027 k( 235) = ( 0.2261905 0.5000000 0.2983167), wk = 0.0027027 k( 236) = ( 0.2380952 0.5000000 0.2983167), wk = 0.0027027 k( 237) = ( 0.2500000 0.5000000 0.2983167), wk = 0.0027027 k( 238) = ( 0.2619048 0.5000000 0.2983167), wk = 0.0027027 k( 239) = ( 0.2738095 0.5000000 0.2983167), wk = 0.0027027 k( 240) = ( 0.2857143 0.5000000 0.2983167), wk = 0.0027027 k( 241) = ( 0.2976190 0.5000000 0.2983167), wk = 0.0027027 k( 242) = ( 0.3095238 0.5000000 0.2983167), wk = 0.0027027 k( 243) = ( 0.3214286 0.5000000 0.2983167), wk = 0.0027027 k( 244) = ( 0.3333333 0.5000000 0.2983167), wk = 0.0027027 k( 245) = ( 0.3452381 0.5000000 0.2983167), wk = 0.0027027 k( 246) = ( 0.3571429 0.5000000 0.2983167), wk = 0.0027027 k( 247) = ( 0.3690476 0.5000000 0.2983167), wk = 0.0027027 k( 248) = ( 0.3809524 0.5000000 0.2983167), wk = 0.0027027 k( 249) = ( 0.3928571 0.5000000 0.2983167), wk = 0.0027027 k( 250) = ( 0.4047619 0.5000000 0.2983167), wk = 0.0027027 k( 251) = ( 0.4166667 0.5000000 0.2983167), wk = 0.0027027 k( 252) = ( 0.4285714 0.5000000 0.2983167), wk = 0.0027027 k( 253) = ( 0.4404762 0.5000000 0.2983167), wk = 0.0027027 k( 254) = ( 0.4523810 0.5000000 0.2983167), wk = 0.0027027 k( 255) = ( 0.4642857 0.5000000 0.2983167), wk = 0.0027027 k( 256) = ( 0.4761905 0.5000000 0.2983167), wk = 0.0027027 k( 257) = ( 0.4880952 0.5000000 0.2983167), wk = 0.0027027 k( 258) = ( 0.5000000 0.5000000 0.2983167), wk = 0.0027027 k( 259) = ( 0.5000000 0.5000000 0.2983167), wk = 0.0027027 k( 260) = ( 0.4915254 0.4915254 0.2983167), wk = 0.0027027 k( 261) = ( 0.4830508 0.4830508 0.2983167), wk = 0.0027027 k( 262) = ( 0.4745763 0.4745763 0.2983167), wk = 0.0027027 k( 263) = ( 0.4661017 0.4661017 0.2983167), wk = 0.0027027 k( 264) = ( 0.4576271 0.4576271 0.2983167), wk = 0.0027027 k( 265) = ( 0.4491525 0.4491525 0.2983167), wk = 0.0027027 k( 266) = ( 0.4406780 0.4406780 0.2983167), wk = 0.0027027 k( 267) = ( 0.4322034 0.4322034 0.2983167), wk = 0.0027027 k( 268) = ( 0.4237288 0.4237288 0.2983167), wk = 0.0027027 k( 269) = ( 0.4152542 0.4152542 0.2983167), wk = 0.0027027 k( 270) = ( 0.4067797 0.4067797 0.2983167), wk = 0.0027027 k( 271) = ( 0.3983051 0.3983051 0.2983167), wk = 0.0027027 k( 272) = ( 0.3898305 0.3898305 0.2983167), wk = 0.0027027 k( 273) = ( 0.3813559 0.3813559 0.2983167), wk = 0.0027027 k( 274) = ( 0.3728814 0.3728814 0.2983167), wk = 0.0027027 k( 275) = ( 0.3644068 0.3644068 0.2983167), wk = 0.0027027 k( 276) = ( 0.3559322 0.3559322 0.2983167), wk = 0.0027027 k( 277) = ( 0.3474576 0.3474576 0.2983167), wk = 0.0027027 k( 278) = ( 0.3389831 0.3389830 0.2983167), wk = 0.0027027 k( 279) = ( 0.3305085 0.3305085 0.2983167), wk = 0.0027027 k( 280) = ( 0.3220339 0.3220339 0.2983167), wk = 0.0027027 k( 281) = ( 0.3135593 0.3135593 0.2983167), wk = 0.0027027 k( 282) = ( 0.3050848 0.3050847 0.2983167), wk = 0.0027027 k( 283) = ( 0.2966102 0.2966102 0.2983167), wk = 0.0027027 k( 284) = ( 0.2881356 0.2881356 0.2983167), wk = 0.0027027 k( 285) = ( 0.2796610 0.2796610 0.2983167), wk = 0.0027027 k( 286) = ( 0.2711864 0.2711864 0.2983167), wk = 0.0027027 k( 287) = ( 0.2627119 0.2627119 0.2983167), wk = 0.0027027 k( 288) = ( 0.2542373 0.2542373 0.2983167), wk = 0.0027027 k( 289) = ( 0.2457627 0.2457627 0.2983167), wk = 0.0027027 k( 290) = ( 0.2372881 0.2372881 0.2983167), wk = 0.0027027 k( 291) = ( 0.2288136 0.2288136 0.2983167), wk = 0.0027027 k( 292) = ( 0.2203390 0.2203390 0.2983167), wk = 0.0027027 k( 293) = ( 0.2118644 0.2118644 0.2983167), wk = 0.0027027 k( 294) = ( 0.2033898 0.2033898 0.2983167), wk = 0.0027027 k( 295) = ( 0.1949153 0.1949152 0.2983167), wk = 0.0027027 k( 296) = ( 0.1864407 0.1864407 0.2983167), wk = 0.0027027 k( 297) = ( 0.1779661 0.1779661 0.2983167), wk = 0.0027027 k( 298) = ( 0.1694915 0.1694915 0.2983167), wk = 0.0027027 k( 299) = ( 0.1610169 0.1610169 0.2983167), wk = 0.0027027 k( 300) = ( 0.1525424 0.1525424 0.2983167), wk = 0.0027027 k( 301) = ( 0.1440678 0.1440678 0.2983167), wk = 0.0027027 k( 302) = ( 0.1355932 0.1355932 0.2983167), wk = 0.0027027 k( 303) = ( 0.1271186 0.1271186 0.2983167), wk = 0.0027027 k( 304) = ( 0.1186441 0.1186441 0.2983167), wk = 0.0027027 k( 305) = ( 0.1101695 0.1101695 0.2983167), wk = 0.0027027 k( 306) = ( 0.1016949 0.1016949 0.2983167), wk = 0.0027027 k( 307) = ( 0.0932203 0.0932203 0.2983167), wk = 0.0027027 k( 308) = ( 0.0847458 0.0847458 0.2983167), wk = 0.0027027 k( 309) = ( 0.0762712 0.0762712 0.2983167), wk = 0.0027027 k( 310) = ( 0.0677966 0.0677966 0.2983167), wk = 0.0027027 k( 311) = ( 0.0593220 0.0593220 0.2983167), wk = 0.0027027 k( 312) = ( 0.0508475 0.0508475 0.2983167), wk = 0.0027027 k( 313) = ( 0.0423729 0.0423729 0.2983167), wk = 0.0027027 k( 314) = ( 0.0338983 0.0338983 0.2983167), wk = 0.0027027 k( 315) = ( 0.0254237 0.0254237 0.2983167), wk = 0.0027027 k( 316) = ( 0.0169491 0.0169491 0.2983167), wk = 0.0027027 k( 317) = ( 0.0084746 0.0084746 0.2983167), wk = 0.0027027 k( 318) = ( 0.0000000 0.0000000 0.2983167), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.0119327), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.0238653), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.0357980), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.0477307), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.0596633), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.0715960), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.0835287), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.0954614), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.1073940), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.1193267), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.1312594), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.1431920), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.1551247), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.1670574), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.1789900), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.1909227), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.2028554), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.2147880), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.2267207), wk = 0.0027027 k( 339) = ( 0.0000000 0.5000000 0.2386534), wk = 0.0027027 k( 340) = ( 0.0000000 0.5000000 0.2505861), wk = 0.0027027 k( 341) = ( 0.0000000 0.5000000 0.2625187), wk = 0.0027027 k( 342) = ( 0.0000000 0.5000000 0.2744514), wk = 0.0027027 k( 343) = ( 0.0000000 0.5000000 0.2863841), wk = 0.0027027 k( 344) = ( 0.0000000 0.5000000 0.2983167), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.0119327), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.0238653), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.0357980), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.0477307), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.0596633), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.0715960), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.0835287), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.0954614), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.1073940), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.1193267), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.1312594), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.1431920), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.1551247), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.1670574), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.1789900), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.1909227), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.2028554), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.2147880), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.2267207), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.2386534), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.2505861), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.2625187), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.2744514), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.2863841), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.2983167), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0027027 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0027027 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0027027 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0027027 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0027027 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0027027 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0027027 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0027027 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0027027 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0027027 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0027027 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0027027 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0027027 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0027027 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0027027 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0027027 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0027027 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027027 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0027027 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0027027 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0027027 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0027027 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0027027 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0027027 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0027027 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0027027 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0027027 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0027027 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0027027 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0027027 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0027027 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0027027 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0027027 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0027027 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0027027 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0027027 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0027027 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0027027 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0027027 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0027027 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0027027 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027027 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0027027 k( 110) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0027027 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0027027 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027027 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0027027 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0027027 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0027027 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0027027 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0027027 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027027 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0027027 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0027027 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0027027 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027027 k( 123) = ( 0.1949153 0.1949153 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0027027 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027027 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0027027 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0027027 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0027027 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0027027 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0027027 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027027 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0027027 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0027027 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0027027 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027027 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0027027 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0027027 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0027027 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0027027 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 174) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0027027 k( 175) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0027027 k( 176) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0027027 k( 177) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0027027 k( 178) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0027027 k( 179) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0027027 k( 180) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0027027 k( 181) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0027027 k( 182) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0027027 k( 183) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0027027 k( 184) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0027027 k( 185) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0027027 k( 186) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0027027 k( 187) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027027 k( 188) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0027027 k( 189) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0027027 k( 190) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0027027 k( 191) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0027027 k( 192) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0027027 k( 193) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0027027 k( 194) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027027 k( 195) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0027027 k( 196) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0027027 k( 197) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0027027 k( 198) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0027027 k( 199) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0027027 k( 200) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0027027 k( 201) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027027 k( 202) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0027027 k( 203) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0027027 k( 204) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0027027 k( 205) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0027027 k( 206) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0027027 k( 207) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0027027 k( 208) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0027027 k( 209) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0027027 k( 210) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0027027 k( 211) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0027027 k( 212) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0027027 k( 213) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0027027 k( 214) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0027027 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 216) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 217) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0027027 k( 218) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0027027 k( 219) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0027027 k( 220) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0027027 k( 221) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0027027 k( 222) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0027027 k( 223) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0027027 k( 224) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0027027 k( 225) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0027027 k( 226) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0027027 k( 227) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0027027 k( 228) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0027027 k( 229) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0027027 k( 230) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027027 k( 231) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0027027 k( 232) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0027027 k( 233) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0027027 k( 234) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0027027 k( 235) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0027027 k( 236) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0027027 k( 237) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027027 k( 238) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0027027 k( 239) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0027027 k( 240) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0027027 k( 241) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0027027 k( 242) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0027027 k( 243) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0027027 k( 244) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027027 k( 245) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0027027 k( 246) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0027027 k( 247) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0027027 k( 248) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0027027 k( 249) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0027027 k( 250) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0027027 k( 251) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0027027 k( 252) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0027027 k( 253) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0027027 k( 254) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0027027 k( 255) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0027027 k( 256) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0027027 k( 257) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0027027 k( 258) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 260) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0027027 k( 261) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0027027 k( 262) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0027027 k( 263) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0027027 k( 264) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0027027 k( 265) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0027027 k( 266) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0027027 k( 267) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0027027 k( 268) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0027027 k( 269) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0027027 k( 270) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0027027 k( 271) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0027027 k( 272) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0027027 k( 273) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0027027 k( 274) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0027027 k( 275) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0027027 k( 276) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0027027 k( 277) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0027027 k( 278) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0027027 k( 279) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0027027 k( 280) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027027 k( 281) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0027027 k( 282) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027027 k( 283) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0027027 k( 284) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027027 k( 285) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0027027 k( 286) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027027 k( 287) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0027027 k( 288) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027027 k( 289) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0027027 k( 290) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027027 k( 291) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0027027 k( 292) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027027 k( 293) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0027027 k( 294) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027027 k( 295) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0027027 k( 296) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027027 k( 297) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0027027 k( 298) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027027 k( 299) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0027027 k( 300) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027027 k( 301) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0027027 k( 302) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027027 k( 303) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0027027 k( 304) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027027 k( 305) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0027027 k( 306) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027027 k( 307) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0027027 k( 308) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027027 k( 309) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0027027 k( 310) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027027 k( 311) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0027027 k( 312) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027027 k( 313) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0027027 k( 314) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027027 k( 315) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0027027 k( 316) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027027 k( 317) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0027027 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0027027 k( 339) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0027027 k( 340) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0027027 k( 341) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0027027 k( 342) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0027027 k( 343) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0027027 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 Dense grid: 85497 G-vectors FFT dimensions: ( 48, 48, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 600, 40) NL pseudopotentials 0.57 Mb ( 300, 124) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2376) G-vector shells 0.01 Mb ( 1064) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 600, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 124, 2, 40) The potential is recalculated from file : ./LiFeAs.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.9 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.4 secs Computing kpt #: 30 total cpu time spent up to now is 17.8 secs Computing kpt #: 31 total cpu time spent up to now is 18.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.2 secs Computing kpt #: 36 total cpu time spent up to now is 20.7 secs Computing kpt #: 37 total cpu time spent up to now is 21.2 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.5 secs Computing kpt #: 45 total cpu time spent up to now is 25.0 secs Computing kpt #: 46 total cpu time spent up to now is 25.5 secs Computing kpt #: 47 total cpu time spent up to now is 26.0 secs Computing kpt #: 48 total cpu time spent up to now is 26.5 secs Computing kpt #: 49 total cpu time spent up to now is 27.0 secs Computing kpt #: 50 total cpu time spent up to now is 27.5 secs Computing kpt #: 51 total cpu time spent up to now is 27.9 secs Computing kpt #: 52 total cpu time spent up to now is 28.4 secs Computing kpt #: 53 total cpu time spent up to now is 28.9 secs Computing kpt #: 54 total cpu time spent up to now is 29.4 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.4 secs Computing kpt #: 57 total cpu time spent up to now is 30.9 secs Computing kpt #: 58 total cpu time spent up to now is 31.4 secs Computing kpt #: 59 total cpu time spent up to now is 31.9 secs Computing kpt #: 60 total cpu time spent up to now is 32.4 secs Computing kpt #: 61 total cpu time spent up to now is 32.9 secs Computing kpt #: 62 total cpu time spent up to now is 33.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.9 secs Computing kpt #: 64 total cpu time spent up to now is 34.4 secs Computing kpt #: 65 total cpu time spent up to now is 34.9 secs Computing kpt #: 66 total cpu time spent up to now is 35.5 secs Computing kpt #: 67 total cpu time spent up to now is 36.0 secs Computing kpt #: 68 total cpu time spent up to now is 36.5 secs Computing kpt #: 69 total cpu time spent up to now is 37.0 secs Computing kpt #: 70 total cpu time spent up to now is 37.5 secs Computing kpt #: 71 total cpu time spent up to now is 38.1 secs Computing kpt #: 72 total cpu time spent up to now is 38.6 secs Computing kpt #: 73 total cpu time spent up to now is 39.1 secs Computing kpt #: 74 total cpu time spent up to now is 39.6 secs Computing kpt #: 75 total cpu time spent up to now is 40.1 secs Computing kpt #: 76 total cpu time spent up to now is 40.6 secs Computing kpt #: 77 total cpu time spent up to now is 41.1 secs Computing kpt #: 78 total cpu time spent up to now is 41.6 secs Computing kpt #: 79 total cpu time spent up to now is 42.1 secs Computing kpt #: 80 total cpu time spent up to now is 42.6 secs Computing kpt #: 81 total cpu time spent up to now is 43.1 secs Computing kpt #: 82 total cpu time spent up to now is 43.6 secs Computing kpt #: 83 total cpu time spent up to now is 44.1 secs Computing kpt #: 84 total cpu time spent up to now is 44.6 secs Computing kpt #: 85 total cpu time spent up to now is 45.0 secs Computing kpt #: 86 total cpu time spent up to now is 45.5 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.5 secs Computing kpt #: 89 total cpu time spent up to now is 47.0 secs Computing kpt #: 90 total cpu time spent up to now is 47.5 secs Computing kpt #: 91 total cpu time spent up to now is 47.9 secs Computing kpt #: 92 total cpu time spent up to now is 48.4 secs Computing kpt #: 93 total cpu time spent up to now is 48.9 secs Computing kpt #: 94 total cpu time spent up to now is 49.4 secs Computing kpt #: 95 total cpu time spent up to now is 49.9 secs Computing kpt #: 96 total cpu time spent up to now is 50.4 secs Computing kpt #: 97 total cpu time spent up to now is 50.9 secs Computing kpt #: 98 total cpu time spent up to now is 51.4 secs Computing kpt #: 99 total cpu time spent up to now is 51.9 secs Computing kpt #: 100 total cpu time spent up to now is 52.4 secs Computing kpt #: 101 total cpu time spent up to now is 52.9 secs Computing kpt #: 102 total cpu time spent up to now is 53.4 secs Computing kpt #: 103 total cpu time spent up to now is 53.9 secs Computing kpt #: 104 total cpu time spent up to now is 54.3 secs Computing kpt #: 105 total cpu time spent up to now is 54.8 secs Computing kpt #: 106 total cpu time spent up to now is 55.3 secs Computing kpt #: 107 total cpu time spent up to now is 55.8 secs Computing kpt #: 108 total cpu time spent up to now is 56.3 secs Computing kpt #: 109 total cpu time spent up to now is 56.8 secs Computing kpt #: 110 total cpu time spent up to now is 57.3 secs Computing kpt #: 111 total cpu time spent up to now is 57.8 secs Computing kpt #: 112 total cpu time spent up to now is 58.3 secs Computing kpt #: 113 total cpu time spent up to now is 58.8 secs Computing kpt #: 114 total cpu time spent up to now is 59.2 secs Computing kpt #: 115 total cpu time spent up to now is 59.7 secs Computing kpt #: 116 total cpu time spent up to now is 60.2 secs Computing kpt #: 117 total cpu time spent up to now is 60.7 secs Computing kpt #: 118 total cpu time spent up to now is 61.2 secs Computing kpt #: 119 total cpu time spent up to now is 61.6 secs Computing kpt #: 120 total cpu time spent up to now is 62.1 secs Computing kpt #: 121 total cpu time spent up to now is 62.6 secs Computing kpt #: 122 total cpu time spent up to now is 63.1 secs Computing kpt #: 123 total cpu time spent up to now is 63.5 secs Computing kpt #: 124 total cpu time spent up to now is 64.0 secs Computing kpt #: 125 total cpu time spent up to now is 64.5 secs Computing kpt #: 126 total cpu time spent up to now is 65.0 secs Computing kpt #: 127 total cpu time spent up to now is 65.5 secs Computing kpt #: 128 total cpu time spent up to now is 66.0 secs Computing kpt #: 129 total cpu time spent up to now is 66.5 secs Computing kpt #: 130 total cpu time spent up to now is 67.0 secs Computing kpt #: 131 total cpu time spent up to now is 67.5 secs Computing kpt #: 132 total cpu time spent up to now is 68.0 secs Computing kpt #: 133 total cpu time spent up to now is 68.5 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.5 secs Computing kpt #: 136 total cpu time spent up to now is 70.0 secs Computing kpt #: 137 total cpu time spent up to now is 70.5 secs Computing kpt #: 138 total cpu time spent up to now is 71.0 secs Computing kpt #: 139 total cpu time spent up to now is 71.6 secs Computing kpt #: 140 total cpu time spent up to now is 72.1 secs Computing kpt #: 141 total cpu time spent up to now is 72.7 secs Computing kpt #: 142 total cpu time spent up to now is 73.2 secs Computing kpt #: 143 total cpu time spent up to now is 73.8 secs Computing kpt #: 144 total cpu time spent up to now is 74.3 secs Computing kpt #: 145 total cpu time spent up to now is 74.9 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 76.0 secs Computing kpt #: 148 total cpu time spent up to now is 76.5 secs Computing kpt #: 149 total cpu time spent up to now is 77.1 secs Computing kpt #: 150 total cpu time spent up to now is 77.6 secs Computing kpt #: 151 total cpu time spent up to now is 78.2 secs Computing kpt #: 152 total cpu time spent up to now is 78.7 secs Computing kpt #: 153 total cpu time spent up to now is 79.3 secs Computing kpt #: 154 total cpu time spent up to now is 79.8 secs Computing kpt #: 155 total cpu time spent up to now is 80.3 secs Computing kpt #: 156 total cpu time spent up to now is 80.8 secs Computing kpt #: 157 total cpu time spent up to now is 81.4 secs Computing kpt #: 158 total cpu time spent up to now is 81.9 secs Computing kpt #: 159 total cpu time spent up to now is 82.4 secs Computing kpt #: 160 total cpu time spent up to now is 82.9 secs Computing kpt #: 161 total cpu time spent up to now is 83.4 secs Computing kpt #: 162 total cpu time spent up to now is 83.9 secs Computing kpt #: 163 total cpu time spent up to now is 84.4 secs Computing kpt #: 164 total cpu time spent up to now is 84.8 secs Computing kpt #: 165 total cpu time spent up to now is 85.3 secs Computing kpt #: 166 total cpu time spent up to now is 85.8 secs Computing kpt #: 167 total cpu time spent up to now is 86.3 secs Computing kpt #: 168 total cpu time spent up to now is 86.8 secs Computing kpt #: 169 total cpu time spent up to now is 87.3 secs Computing kpt #: 170 total cpu time spent up to now is 87.8 secs Computing kpt #: 171 total cpu time spent up to now is 88.3 secs Computing kpt #: 172 total cpu time spent up to now is 88.7 secs Computing kpt #: 173 total cpu time spent up to now is 89.2 secs Computing kpt #: 174 total cpu time spent up to now is 89.7 secs Computing kpt #: 175 total cpu time spent up to now is 90.2 secs Computing kpt #: 176 total cpu time spent up to now is 90.7 secs Computing kpt #: 177 total cpu time spent up to now is 91.2 secs Computing kpt #: 178 total cpu time spent up to now is 91.7 secs Computing kpt #: 179 total cpu time spent up to now is 92.2 secs Computing kpt #: 180 total cpu time spent up to now is 92.7 secs Computing kpt #: 181 total cpu time spent up to now is 93.2 secs Computing kpt #: 182 total cpu time spent up to now is 93.7 secs Computing kpt #: 183 total cpu time spent up to now is 94.2 secs Computing kpt #: 184 total cpu time spent up to now is 94.7 secs Computing kpt #: 185 total cpu time spent up to now is 95.3 secs Computing kpt #: 186 total cpu time spent up to now is 95.8 secs Computing kpt #: 187 total cpu time spent up to now is 96.3 secs Computing kpt #: 188 total cpu time spent up to now is 96.8 secs Computing kpt #: 189 total cpu time spent up to now is 97.3 secs Computing kpt #: 190 total cpu time spent up to now is 97.8 secs Computing kpt #: 191 total cpu time spent up to now is 98.4 secs Computing kpt #: 192 total cpu time spent up to now is 98.9 secs Computing kpt #: 193 total cpu time spent up to now is 99.4 secs Computing kpt #: 194 total cpu time spent up to now is 99.9 secs Computing kpt #: 195 total cpu time spent up to now is 100.4 secs Computing kpt #: 196 total cpu time spent up to now is 101.0 secs Computing kpt #: 197 total cpu time spent up to now is 101.5 secs Computing kpt #: 198 total cpu time spent up to now is 102.0 secs Computing kpt #: 199 total cpu time spent up to now is 102.5 secs Computing kpt #: 200 total cpu time spent up to now is 103.1 secs Computing kpt #: 201 total cpu time spent up to now is 103.6 secs Computing kpt #: 202 total cpu time spent up to now is 104.1 secs Computing kpt #: 203 total cpu time spent up to now is 104.6 secs Computing kpt #: 204 total cpu time spent up to now is 105.2 secs Computing kpt #: 205 total cpu time spent up to now is 105.7 secs Computing kpt #: 206 total cpu time spent up to now is 106.2 secs Computing kpt #: 207 total cpu time spent up to now is 106.8 secs Computing kpt #: 208 total cpu time spent up to now is 107.3 secs Computing kpt #: 209 total cpu time spent up to now is 107.9 secs Computing kpt #: 210 total cpu time spent up to now is 108.4 secs Computing kpt #: 211 total cpu time spent up to now is 108.9 secs Computing kpt #: 212 total cpu time spent up to now is 109.5 secs Computing kpt #: 213 total cpu time spent up to now is 110.0 secs Computing kpt #: 214 total cpu time spent up to now is 110.5 secs Computing kpt #: 215 total cpu time spent up to now is 111.1 secs Computing kpt #: 216 total cpu time spent up to now is 111.6 secs Computing kpt #: 217 total cpu time spent up to now is 112.1 secs Computing kpt #: 218 total cpu time spent up to now is 112.7 secs Computing kpt #: 219 total cpu time spent up to now is 113.2 secs Computing kpt #: 220 total cpu time spent up to now is 113.8 secs Computing kpt #: 221 total cpu time spent up to now is 114.3 secs Computing kpt #: 222 total cpu time spent up to now is 114.8 secs Computing kpt #: 223 total cpu time spent up to now is 115.4 secs Computing kpt #: 224 total cpu time spent up to now is 115.9 secs Computing kpt #: 225 total cpu time spent up to now is 116.5 secs Computing kpt #: 226 total cpu time spent up to now is 117.0 secs Computing kpt #: 227 total cpu time spent up to now is 117.5 secs Computing kpt #: 228 total cpu time spent up to now is 118.1 secs Computing kpt #: 229 total cpu time spent up to now is 118.6 secs Computing kpt #: 230 total cpu time spent up to now is 119.1 secs Computing kpt #: 231 total cpu time spent up to now is 119.7 secs Computing kpt #: 232 total cpu time spent up to now is 120.2 secs Computing kpt #: 233 total cpu time spent up to now is 120.7 secs Computing kpt #: 234 total cpu time spent up to now is 121.2 secs Computing kpt #: 235 total cpu time spent up to now is 121.7 secs Computing kpt #: 236 total cpu time spent up to now is 122.2 secs Computing kpt #: 237 total cpu time spent up to now is 122.8 secs Computing kpt #: 238 total cpu time spent up to now is 123.3 secs Computing kpt #: 239 total cpu time spent up to now is 123.8 secs Computing kpt #: 240 total cpu time spent up to now is 124.3 secs Computing kpt #: 241 total cpu time spent up to now is 124.8 secs Computing kpt #: 242 total cpu time spent up to now is 125.3 secs Computing kpt #: 243 total cpu time spent up to now is 125.9 secs Computing kpt #: 244 total cpu time spent up to now is 126.4 secs Computing kpt #: 245 total cpu time spent up to now is 126.9 secs Computing kpt #: 246 total cpu time spent up to now is 127.4 secs Computing kpt #: 247 total cpu time spent up to now is 127.9 secs Computing kpt #: 248 total cpu time spent up to now is 128.4 secs Computing kpt #: 249 total cpu time spent up to now is 128.8 secs Computing kpt #: 250 total cpu time spent up to now is 129.3 secs Computing kpt #: 251 total cpu time spent up to now is 129.8 secs Computing kpt #: 252 total cpu time spent up to now is 130.2 secs Computing kpt #: 253 total cpu time spent up to now is 130.7 secs Computing kpt #: 254 total cpu time spent up to now is 131.2 secs Computing kpt #: 255 total cpu time spent up to now is 131.6 secs Computing kpt #: 256 total cpu time spent up to now is 132.1 secs Computing kpt #: 257 total cpu time spent up to now is 132.5 secs Computing kpt #: 258 total cpu time spent up to now is 133.0 secs Computing kpt #: 259 total cpu time spent up to now is 133.5 secs Computing kpt #: 260 total cpu time spent up to now is 134.1 secs Computing kpt #: 261 total cpu time spent up to now is 134.7 secs Computing kpt #: 262 total cpu time spent up to now is 135.2 secs Computing kpt #: 263 total cpu time spent up to now is 135.6 secs Computing kpt #: 264 total cpu time spent up to now is 136.1 secs Computing kpt #: 265 total cpu time spent up to now is 136.5 secs Computing kpt #: 266 total cpu time spent up to now is 137.0 secs Computing kpt #: 267 total cpu time spent up to now is 137.5 secs Computing kpt #: 268 total cpu time spent up to now is 138.0 secs Computing kpt #: 269 total cpu time spent up to now is 138.4 secs Computing kpt #: 270 total cpu time spent up to now is 138.9 secs Computing kpt #: 271 total cpu time spent up to now is 139.4 secs Computing kpt #: 272 total cpu time spent up to now is 139.9 secs Computing kpt #: 273 total cpu time spent up to now is 140.4 secs Computing kpt #: 274 total cpu time spent up to now is 140.9 secs Computing kpt #: 275 total cpu time spent up to now is 141.4 secs Computing kpt #: 276 total cpu time spent up to now is 141.9 secs Computing kpt #: 277 total cpu time spent up to now is 142.3 secs Computing kpt #: 278 total cpu time spent up to now is 142.8 secs Computing kpt #: 279 total cpu time spent up to now is 143.3 secs Computing kpt #: 280 total cpu time spent up to now is 143.8 secs Computing kpt #: 281 total cpu time spent up to now is 144.3 secs Computing kpt #: 282 total cpu time spent up to now is 144.8 secs Computing kpt #: 283 total cpu time spent up to now is 145.3 secs Computing kpt #: 284 total cpu time spent up to now is 145.8 secs Computing kpt #: 285 total cpu time spent up to now is 146.3 secs Computing kpt #: 286 total cpu time spent up to now is 146.8 secs Computing kpt #: 287 total cpu time spent up to now is 147.3 secs Computing kpt #: 288 total cpu time spent up to now is 147.8 secs Computing kpt #: 289 total cpu time spent up to now is 148.2 secs Computing kpt #: 290 total cpu time spent up to now is 148.7 secs Computing kpt #: 291 total cpu time spent up to now is 149.2 secs Computing kpt #: 292 total cpu time spent up to now is 149.7 secs Computing kpt #: 293 total cpu time spent up to now is 150.2 secs Computing kpt #: 294 total cpu time spent up to now is 150.7 secs Computing kpt #: 295 total cpu time spent up to now is 151.2 secs Computing kpt #: 296 total cpu time spent up to now is 151.7 secs Computing kpt #: 297 total cpu time spent up to now is 152.1 secs Computing kpt #: 298 total cpu time spent up to now is 152.6 secs Computing kpt #: 299 total cpu time spent up to now is 153.1 secs Computing kpt #: 300 total cpu time spent up to now is 153.6 secs Computing kpt #: 301 total cpu time spent up to now is 154.1 secs Computing kpt #: 302 total cpu time spent up to now is 154.6 secs Computing kpt #: 303 total cpu time spent up to now is 155.1 secs Computing kpt #: 304 total cpu time spent up to now is 155.6 secs Computing kpt #: 305 total cpu time spent up to now is 156.1 secs Computing kpt #: 306 total cpu time spent up to now is 156.7 secs Computing kpt #: 307 total cpu time spent up to now is 157.2 secs Computing kpt #: 308 total cpu time spent up to now is 157.7 secs Computing kpt #: 309 total cpu time spent up to now is 158.2 secs Computing kpt #: 310 total cpu time spent up to now is 158.7 secs Computing kpt #: 311 total cpu time spent up to now is 159.2 secs Computing kpt #: 312 total cpu time spent up to now is 159.7 secs Computing kpt #: 313 total cpu time spent up to now is 160.2 secs Computing kpt #: 314 total cpu time spent up to now is 160.7 secs Computing kpt #: 315 total cpu time spent up to now is 161.2 secs Computing kpt #: 316 total cpu time spent up to now is 161.7 secs Computing kpt #: 317 total cpu time spent up to now is 162.2 secs Computing kpt #: 318 total cpu time spent up to now is 162.7 secs Computing kpt #: 319 total cpu time spent up to now is 163.2 secs Computing kpt #: 320 total cpu time spent up to now is 163.6 secs Computing kpt #: 321 total cpu time spent up to now is 164.1 secs Computing kpt #: 322 total cpu time spent up to now is 164.6 secs Computing kpt #: 323 total cpu time spent up to now is 165.1 secs Computing kpt #: 324 total cpu time spent up to now is 165.5 secs Computing kpt #: 325 total cpu time spent up to now is 166.0 secs Computing kpt #: 326 total cpu time spent up to now is 166.5 secs Computing kpt #: 327 total cpu time spent up to now is 167.0 secs Computing kpt #: 328 total cpu time spent up to now is 167.5 secs Computing kpt #: 329 total cpu time spent up to now is 168.0 secs Computing kpt #: 330 total cpu time spent up to now is 168.5 secs Computing kpt #: 331 total cpu time spent up to now is 169.0 secs Computing kpt #: 332 total cpu time spent up to now is 169.6 secs Computing kpt #: 333 total cpu time spent up to now is 170.1 secs Computing kpt #: 334 total cpu time spent up to now is 170.6 secs Computing kpt #: 335 total cpu time spent up to now is 171.1 secs Computing kpt #: 336 total cpu time spent up to now is 171.6 secs Computing kpt #: 337 total cpu time spent up to now is 172.2 secs Computing kpt #: 338 total cpu time spent up to now is 172.7 secs Computing kpt #: 339 total cpu time spent up to now is 173.2 secs Computing kpt #: 340 total cpu time spent up to now is 173.8 secs Computing kpt #: 341 total cpu time spent up to now is 174.3 secs Computing kpt #: 342 total cpu time spent up to now is 174.8 secs Computing kpt #: 343 total cpu time spent up to now is 175.4 secs Computing kpt #: 344 total cpu time spent up to now is 175.9 secs Computing kpt #: 345 total cpu time spent up to now is 176.4 secs Computing kpt #: 346 total cpu time spent up to now is 176.8 secs Computing kpt #: 347 total cpu time spent up to now is 177.3 secs Computing kpt #: 348 total cpu time spent up to now is 177.8 secs Computing kpt #: 349 total cpu time spent up to now is 178.3 secs Computing kpt #: 350 total cpu time spent up to now is 178.8 secs Computing kpt #: 351 total cpu time spent up to now is 179.3 secs Computing kpt #: 352 total cpu time spent up to now is 179.7 secs Computing kpt #: 353 total cpu time spent up to now is 180.2 secs Computing kpt #: 354 total cpu time spent up to now is 180.7 secs Computing kpt #: 355 total cpu time spent up to now is 181.2 secs Computing kpt #: 356 total cpu time spent up to now is 181.7 secs Computing kpt #: 357 total cpu time spent up to now is 182.1 secs Computing kpt #: 358 total cpu time spent up to now is 182.6 secs Computing kpt #: 359 total cpu time spent up to now is 183.1 secs Computing kpt #: 360 total cpu time spent up to now is 183.6 secs Computing kpt #: 361 total cpu time spent up to now is 184.0 secs Computing kpt #: 362 total cpu time spent up to now is 184.5 secs Computing kpt #: 363 total cpu time spent up to now is 185.0 secs Computing kpt #: 364 total cpu time spent up to now is 185.5 secs Computing kpt #: 365 total cpu time spent up to now is 185.9 secs Computing kpt #: 366 total cpu time spent up to now is 186.4 secs Computing kpt #: 367 total cpu time spent up to now is 186.9 secs Computing kpt #: 368 total cpu time spent up to now is 187.3 secs Computing kpt #: 369 total cpu time spent up to now is 187.8 secs Computing kpt #: 370 total cpu time spent up to now is 188.2 secs ethr = 3.13E-08, avg # of iterations = 12.3 total cpu time spent up to now is 188.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10715 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7129 -4.7129 -3.4096 -3.4096 2.0480 2.0480 3.8208 3.8208 4.4574 4.4574 4.5135 4.5135 5.3647 5.3647 5.4560 5.4560 5.5847 5.5847 6.5328 6.5328 6.9434 6.9434 7.7147 7.7147 7.7619 7.7619 7.9330 7.9330 8.5910 8.5910 8.6623 8.6623 10.3099 10.3099 10.4173 10.4173 k = 0.0000 0.0119-0.0000 ( 10713 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7120 -4.7120 -3.4092 -3.4092 2.0492 2.0492 3.8212 3.8212 4.4565 4.4565 4.5128 4.5128 5.3654 5.3654 5.4532 5.4532 5.5819 5.5819 6.5331 6.5331 6.9447 6.9447 7.7114 7.7114 7.7588 7.7588 7.9320 7.9320 8.5911 8.5911 8.6673 8.6673 10.2950 10.2950 10.4008 10.4008 k = 0.0000 0.0238-0.0000 ( 10693 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7091 -4.7091 -3.4083 -3.4083 2.0529 2.0529 3.8223 3.8223 4.4536 4.4536 4.5108 4.5108 5.3675 5.3675 5.4444 5.4444 5.5743 5.5743 6.5341 6.5341 6.9484 6.9484 7.7004 7.7004 7.7513 7.7513 7.9291 7.9291 8.5911 8.5911 8.6819 8.6819 10.2452 10.2452 10.3805 10.3805 k = 0.0000 0.0357-0.0000 ( 10697 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7044 -4.7044 -3.4068 -3.4068 2.0591 2.0591 3.8241 3.8241 4.4476 4.4476 4.5085 4.5085 5.3709 5.3709 5.4279 5.4279 5.5638 5.5638 6.5358 6.5358 6.9543 6.9543 7.6798 7.6798 7.7429 7.7429 7.9243 7.9243 8.5908 8.5908 8.7047 8.7047 10.1691 10.1691 10.3715 10.3715 k = 0.0000 0.0476-0.0000 ( 10697 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6978 -4.6978 -3.4046 -3.4046 2.0676 2.0676 3.8266 3.8266 4.4374 4.4374 4.5073 4.5073 5.3754 5.3754 5.4020 5.4020 5.5531 5.5531 6.5382 6.5382 6.9620 6.9620 7.6500 7.6500 7.7350 7.7350 7.9179 7.9179 8.5899 8.5899 8.7336 8.7336 10.0812 10.0812 10.3678 10.3678 k = 0.0000 0.0595-0.0000 ( 10717 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6893 -4.6893 -3.4019 -3.4019 2.0787 2.0787 3.8296 3.8296 4.4224 4.4224 4.5079 4.5079 5.3630 5.3630 5.3837 5.3837 5.5440 5.5440 6.5412 6.5412 6.9707 6.9707 7.6138 7.6138 7.7272 7.7272 7.9099 7.9099 8.5887 8.5887 8.7661 8.7661 9.9880 9.9880 10.3660 10.3660 k = 0.0000 0.0714-0.0000 ( 10705 PWs) bands (ev): -38.5969 -38.5969 -38.5916 -38.5916 -4.6789 -4.6789 -3.3987 -3.3987 2.0921 2.0921 3.8329 3.8329 4.4024 4.4024 4.5103 4.5103 5.3165 5.3165 5.3907 5.3907 5.5368 5.5368 6.5450 6.5450 6.9799 6.9799 7.5740 7.5740 7.7189 7.7189 7.9003 7.9003 8.5874 8.5874 8.8000 8.8000 9.8925 9.8925 10.3650 10.3650 k = 0.0000 0.0833-0.0000 ( 10701 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.6667 -4.6667 -3.3949 -3.3949 2.1079 2.1079 3.8365 3.8365 4.3778 4.3778 4.5145 4.5145 5.2604 5.2604 5.3997 5.3997 5.5314 5.5314 6.5494 6.5494 6.9888 6.9888 7.5328 7.5328 7.7096 7.7096 7.8892 7.8892 8.5860 8.5860 8.8333 8.8333 9.7962 9.7962 10.3643 10.3643 k = 0.0000 0.0952-0.0000 ( 10699 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.6527 -4.6527 -3.3907 -3.3907 2.1261 2.1261 3.8401 3.8401 4.3490 4.3490 4.5201 4.5201 5.1970 5.1970 5.4102 5.4102 5.5270 5.5270 6.5545 6.5545 6.9967 6.9967 7.4919 7.4919 7.6990 7.6990 7.8764 7.8764 8.5848 8.5848 8.8645 8.8645 9.7000 9.7000 10.3636 10.3636 k = 0.0000 0.1071-0.0000 ( 10691 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.6369 -4.6369 -3.3860 -3.3860 2.1467 2.1467 3.8434 3.8434 4.3164 4.3164 4.5269 4.5269 5.1279 5.1279 5.4221 5.4221 5.5232 5.5232 6.5602 6.5602 7.0026 7.0026 7.4527 7.4527 7.6870 7.6870 7.8620 7.8620 8.5841 8.5841 8.8923 8.8923 9.6048 9.6048 10.3628 10.3628 k = 0.0000 0.1190-0.0000 ( 10689 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.6194 -4.6194 -3.3810 -3.3810 2.1695 2.1695 3.8459 3.8459 4.2803 4.2803 4.5348 4.5348 5.0546 5.0546 5.4353 5.4353 5.5199 5.5199 6.5665 6.5665 7.0058 7.0058 7.4165 7.4165 7.6736 7.6736 7.8460 7.8460 8.5841 8.5841 8.9156 8.9156 9.5110 9.5110 10.3618 10.3618 k = 0.0000 0.1310-0.0000 ( 10675 PWs) bands (ev): -38.5967 -38.5967 -38.5917 -38.5917 -4.6001 -4.6001 -3.3756 -3.3756 2.1947 2.1947 3.8473 3.8473 4.2409 4.2409 4.5437 4.5437 4.9786 4.9786 5.4497 5.4497 5.5168 5.5168 6.5734 6.5734 7.0055 7.0055 7.3843 7.3843 7.6585 7.6585 7.8284 7.8284 8.5850 8.5850 8.9337 8.9337 9.4191 9.4191 10.3604 10.3604 k = 0.0000 0.1429-0.0000 ( 10671 PWs) bands (ev): -38.5966 -38.5966 -38.5917 -38.5917 -4.5792 -4.5792 -3.3700 -3.3700 2.2220 2.2220 3.8469 3.8469 4.1986 4.1986 4.5536 4.5536 4.9013 4.9013 5.4651 5.4651 5.5140 5.5140 6.5808 6.5808 7.0011 7.0011 7.3567 7.3567 7.6418 7.6418 7.8092 7.8092 8.5869 8.5869 8.9459 8.9459 9.3296 9.3296 10.3585 10.3585 k = 0.0000 0.1548-0.0000 ( 10675 PWs) bands (ev): -38.5966 -38.5966 -38.5918 -38.5918 -4.5566 -4.5566 -3.3643 -3.3643 2.2515 2.2515 3.8440 3.8440 4.1537 4.1537 4.5643 4.5643 4.8244 4.8244 5.4803 5.4803 5.5125 5.5125 6.5887 6.5887 6.9923 6.9923 7.3342 7.3342 7.6234 7.6234 7.7884 7.7884 8.5901 8.5901 8.9519 8.9519 9.2428 9.2428 10.3561 10.3561 k = 0.0000 0.1667-0.0000 ( 10689 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.5324 -4.5324 -3.3584 -3.3584 2.2831 2.2831 3.8375 3.8375 4.1064 4.1064 4.5757 4.5757 4.7494 4.7494 5.4911 5.4911 5.5165 5.5165 6.5970 6.5970 6.9791 6.9791 7.3165 7.3165 7.6032 7.6032 7.7661 7.7661 8.5949 8.5949 8.9513 8.9513 9.1591 9.1591 10.3530 10.3530 k = 0.0000 0.1786-0.0000 ( 10681 PWs) bands (ev): -38.5964 -38.5964 -38.5918 -38.5918 -4.5067 -4.5067 -3.3525 -3.3525 2.3168 2.3168 3.8265 3.8265 4.0571 4.0571 4.5878 4.5878 4.6782 4.6782 5.4925 5.4925 5.5308 5.5308 6.6057 6.6057 6.9621 6.9621 7.3030 7.3030 7.5812 7.5812 7.7422 7.7422 8.6012 8.6012 8.9436 8.9436 9.0790 9.0790 10.3491 10.3491 k = 0.0000 0.1905-0.0000 ( 10691 PWs) bands (ev): -38.5964 -38.5964 -38.5919 -38.5919 -4.4795 -4.4795 -3.3467 -3.3467 2.3524 2.3524 3.8096 3.8096 4.0061 4.0061 4.5976 4.5976 4.6154 4.6154 5.4891 5.4891 5.5507 5.5507 6.6146 6.6146 6.9423 6.9423 7.2928 7.2928 7.5575 7.5575 7.7169 7.7169 8.6094 8.6094 8.9279 8.9279 9.0037 9.0037 10.3442 10.3442 k = 0.0000 0.2024-0.0000 ( 10687 PWs) bands (ev): -38.5963 -38.5963 -38.5919 -38.5919 -4.4509 -4.4509 -3.3410 -3.3410 2.3898 2.3898 3.7857 3.7857 3.9536 3.9536 4.5513 4.5513 4.6163 4.6163 5.4840 5.4840 5.5731 5.5731 6.6238 6.6238 6.9205 6.9205 7.2848 7.2848 7.5321 7.5321 7.6901 7.6901 8.6194 8.6194 8.8983 8.8983 8.9396 8.9396 10.3384 10.3384 k = 0.0000 0.2143-0.0000 ( 10683 PWs) bands (ev): -38.5962 -38.5962 -38.5919 -38.5919 -4.4209 -4.4209 -3.3356 -3.3356 2.4289 2.4289 3.7541 3.7541 3.9000 3.9000 4.5008 4.5008 4.6304 4.6304 5.4779 5.4779 5.5973 5.5973 6.6331 6.6331 6.8976 6.8976 7.2782 7.2782 7.5049 7.5049 7.6620 7.6620 8.6312 8.6312 8.8434 8.8434 8.8987 8.8987 10.3313 10.3313 k = 0.0000 0.2262-0.0000 ( 10699 PWs) bands (ev): -38.5961 -38.5961 -38.5920 -38.5920 -4.3896 -4.3896 -3.3306 -3.3306 2.4695 2.4695 3.7144 3.7144 3.8456 3.8456 4.4588 4.4588 4.6455 4.6455 5.4709 5.4709 5.6230 5.6230 6.6423 6.6423 6.8745 6.8745 7.2721 7.2721 7.4761 7.4761 7.6326 7.6326 8.6445 8.6445 8.7800 8.7800 8.8652 8.8652 10.3229 10.3229 k = 0.0000 0.2381-0.0000 ( 10699 PWs) bands (ev): -38.5960 -38.5960 -38.5920 -38.5920 -4.3572 -4.3572 -3.3261 -3.3261 2.5116 2.5116 3.6672 3.6672 3.7908 3.7908 4.4255 4.4255 4.6613 4.6613 5.4631 5.4631 5.6501 5.6501 6.6514 6.6514 6.8518 6.8518 7.2658 7.2658 7.4457 7.4457 7.6021 7.6021 8.6569 8.6569 8.7204 8.7204 8.8300 8.8300 10.3130 10.3130 k = 0.0000 0.2500-0.0000 ( 10699 PWs) bands (ev): -38.5960 -38.5960 -38.5921 -38.5921 -4.3236 -4.3236 -3.3221 -3.3221 2.5547 2.5547 3.6134 3.6134 3.7361 3.7361 4.4000 4.4000 4.6778 4.6778 5.4544 5.4544 5.6785 5.6785 6.6601 6.6601 6.8300 6.8300 7.2590 7.2590 7.4137 7.4137 7.5705 7.5705 8.6432 8.6432 8.6909 8.6909 8.7927 8.7927 10.3016 10.3016 k = 0.0000 0.2619-0.0000 ( 10705 PWs) bands (ev): -38.5959 -38.5959 -38.5921 -38.5921 -4.2889 -4.2889 -3.3189 -3.3189 2.5986 2.5986 3.5545 3.5545 3.6821 3.6821 4.3809 4.3809 4.6948 4.6948 5.4450 5.4450 5.7082 5.7082 6.6682 6.6682 6.8098 6.8098 7.2512 7.2512 7.3803 7.3803 7.5380 7.5380 8.5921 8.5921 8.6988 8.6988 8.7581 8.7581 10.2884 10.2884 k = 0.0000 0.2738-0.0000 ( 10695 PWs) bands (ev): -38.5958 -38.5958 -38.5922 -38.5922 -4.2533 -4.2533 -3.3165 -3.3165 2.6429 2.6429 3.4921 3.4921 3.6296 3.6296 4.3667 4.3667 4.7123 4.7123 5.4347 5.4347 5.7392 5.7392 6.6750 6.6750 6.7917 6.7917 7.2423 7.2423 7.3456 7.3456 7.5047 7.5047 8.5393 8.5393 8.6866 8.6866 8.7489 8.7489 10.2732 10.2732 k = 0.0000 0.2857-0.0000 ( 10709 PWs) bands (ev): -38.5957 -38.5957 -38.5923 -38.5923 -4.2169 -4.2169 -3.3150 -3.3150 2.6870 2.6870 3.4278 3.4278 3.5793 3.5793 4.3560 4.3560 4.7304 4.7304 5.4236 5.4236 5.7715 5.7715 6.6800 6.6800 6.7767 6.7767 7.2321 7.2321 7.3097 7.3097 7.4708 7.4708 8.4890 8.4890 8.6481 8.6481 8.7678 8.7678 10.2561 10.2561 k = 0.0000 0.2976-0.0000 ( 10705 PWs) bands (ev): -38.5956 -38.5956 -38.5923 -38.5923 -4.1797 -4.1797 -3.3147 -3.3147 2.7302 2.7302 3.3628 3.3628 3.5321 3.5321 4.3473 4.3473 4.7490 4.7490 5.4117 5.4117 5.8049 5.8049 6.6822 6.6822 6.7658 6.7658 7.2202 7.2202 7.2729 7.2729 7.4364 7.4364 8.4417 8.4417 8.6038 8.6038 8.7945 8.7945 10.2367 10.2367 k = 0.0000 0.3095-0.0000 ( 10705 PWs) bands (ev): -38.5955 -38.5955 -38.5924 -38.5924 -4.1418 -4.1418 -3.3154 -3.3154 2.7713 2.7713 3.2983 3.2983 3.4895 3.4895 4.3396 4.3396 4.7680 4.7680 5.3990 5.3990 5.8394 5.8394 6.6807 6.6807 6.7598 6.7598 7.2059 7.2059 7.2361 7.2361 7.4018 7.4018 8.3976 8.3976 8.5584 8.5584 8.8249 8.8249 10.2151 10.2151 k = 0.0000 0.3214-0.0000 ( 10695 PWs) bands (ev): -38.5953 -38.5953 -38.5925 -38.5925 -4.1035 -4.1035 -3.3175 -3.3175 2.8090 2.8090 3.2352 3.2352 3.4528 3.4528 4.3318 4.3318 4.7874 4.7874 5.3855 5.3855 5.8751 5.8751 6.6760 6.6760 6.7586 6.7586 7.1845 7.1845 7.2042 7.2042 7.3670 7.3670 8.3566 8.3566 8.5132 8.5132 8.8582 8.8582 10.1911 10.1911 k = 0.0000 0.3333-0.0000 ( 10705 PWs) bands (ev): -38.5952 -38.5952 -38.5925 -38.5925 -4.0647 -4.0647 -3.3210 -3.3210 2.8414 2.8414 3.1744 3.1744 3.4243 3.4243 4.3232 4.3232 4.8073 4.8073 5.3711 5.3711 5.9118 5.9118 6.6693 6.6693 6.7606 6.7606 7.1496 7.1496 7.1838 7.1838 7.3322 7.3322 8.3189 8.3189 8.4691 8.4691 8.8939 8.8939 10.1646 10.1646 k = 0.0000 0.3452-0.0000 ( 10701 PWs) bands (ev): -38.5951 -38.5951 -38.5926 -38.5926 -4.0256 -4.0256 -3.3260 -3.3260 2.8663 2.8663 3.1164 3.1164 3.4061 3.4061 4.3131 4.3131 4.8275 4.8275 5.3561 5.3561 5.9495 5.9495 6.6622 6.6622 6.7644 6.7644 7.1098 7.1098 7.1665 7.1665 7.2978 7.2978 8.2844 8.2844 8.4267 8.4267 8.9319 8.9319 10.1356 10.1356 k = 0.0000 0.3571-0.0000 ( 10701 PWs) bands (ev): -38.5950 -38.5950 -38.5927 -38.5927 -3.9864 -3.9864 -3.3326 -3.3326 2.8817 2.8817 3.0618 3.0618 3.4004 3.4004 4.3009 4.3009 4.8480 4.8480 5.3402 5.3402 5.9882 5.9882 6.6558 6.6558 6.7689 6.7689 7.0685 7.0685 7.1493 7.1493 7.2640 7.2640 8.2530 8.2530 8.3863 8.3863 8.9720 8.9720 10.1041 10.1041 k = 0.0000 0.3690-0.0000 ( 10691 PWs) bands (ev): -38.5949 -38.5949 -38.5927 -38.5927 -3.9472 -3.9472 -3.3409 -3.3409 2.8866 2.8866 3.0109 3.0109 3.4081 3.4081 4.2861 4.2861 4.8688 4.8688 5.3237 5.3237 6.0277 6.0277 6.6507 6.6507 6.7734 6.7734 7.0266 7.0266 7.1318 7.1318 7.2310 7.2310 8.2247 8.2247 8.3483 8.3483 9.0142 9.0142 10.0700 10.0700 k = 0.0000 0.3810-0.0000 ( 10695 PWs) bands (ev): -38.5948 -38.5948 -38.5928 -38.5928 -3.9081 -3.9081 -3.3510 -3.3510 2.8819 2.8819 2.9643 2.9643 3.4285 3.4285 4.2683 4.2683 4.8899 4.8899 5.3065 5.3065 6.0682 6.0682 6.6472 6.6472 6.7772 6.7772 6.9844 6.9844 7.1141 7.1141 7.1992 7.1992 8.1996 8.1996 8.3129 8.3129 9.0582 9.0582 10.0335 10.0335 k = 0.0000 0.3929-0.0000 ( 10687 PWs) bands (ev): -38.5947 -38.5947 -38.5929 -38.5929 -3.8693 -3.8693 -3.3629 -3.3629 2.8695 2.8695 2.9223 2.9223 3.4597 3.4597 4.2474 4.2474 4.9112 4.9112 5.2887 5.2887 6.1094 6.1094 6.6456 6.6456 6.7798 6.7798 6.9423 6.9423 7.0965 7.0965 7.1690 7.1690 8.1776 8.1776 8.2802 8.2802 9.1039 9.1039 9.9946 9.9946 k = 0.0000 0.4048-0.0000 ( 10683 PWs) bands (ev): -38.5946 -38.5946 -38.5930 -38.5930 -3.8308 -3.8308 -3.3766 -3.3766 2.8517 2.8517 2.8852 2.8852 3.4990 3.4990 4.2230 4.2230 4.9327 4.9327 5.2703 5.2703 6.1513 6.1513 6.6457 6.6457 6.7803 6.7803 6.9011 6.9011 7.0791 7.0791 7.1406 7.1406 8.1586 8.1586 8.2503 8.2503 9.1512 9.1512 9.9534 9.9534 k = 0.0000 0.4167-0.0000 ( 10673 PWs) bands (ev): -38.5945 -38.5945 -38.5931 -38.5931 -3.7929 -3.7929 -3.3923 -3.3923 2.8310 2.8310 2.8533 2.8533 3.5442 3.5442 4.1950 4.1950 4.9543 4.9543 5.2513 5.2513 6.1939 6.1939 6.6474 6.6474 6.7771 6.7771 6.8625 6.8625 7.0624 7.0624 7.1146 7.1146 8.1427 8.1427 8.2233 8.2233 9.1999 9.1999 9.9100 9.9100 k = 0.0000 0.4286-0.0000 ( 10675 PWs) bands (ev): -38.5944 -38.5944 -38.5932 -38.5932 -3.7557 -3.7557 -3.4099 -3.4099 2.8092 2.8092 2.8266 2.8266 3.5932 3.5932 4.1635 4.1635 4.9761 4.9761 5.2318 5.2318 6.2371 6.2371 6.6496 6.6496 6.7671 6.7671 6.8302 6.8302 7.0470 7.0470 7.0913 7.0913 8.1298 8.1298 8.1992 8.1992 9.2498 9.2498 9.8647 9.8647 k = 0.0000 0.4405-0.0000 ( 10673 PWs) bands (ev): -38.5943 -38.5943 -38.5932 -38.5932 -3.7194 -3.7194 -3.4294 -3.4294 2.7887 2.7887 2.8042 2.8042 3.6448 3.6448 4.1285 4.1285 4.9980 4.9980 5.2119 5.2119 6.2807 6.2807 6.6500 6.6500 6.7477 6.7477 6.8087 6.8087 7.0333 7.0333 7.0708 7.0708 8.1199 8.1199 8.1780 8.1780 9.3008 9.3008 9.8176 9.8176 k = 0.0000 0.4524-0.0000 ( 10671 PWs) bands (ev): -38.5941 -38.5941 -38.5933 -38.5933 -3.6840 -3.6840 -3.4509 -3.4509 2.7714 2.7714 2.7852 2.7852 3.6977 3.6977 4.0902 4.0902 5.0199 5.0199 5.1916 5.1916 6.3248 6.3248 6.6426 6.6426 6.7276 6.7276 6.7950 6.7950 7.0222 7.0222 7.0533 7.0533 8.1130 8.1130 8.1595 8.1595 9.3526 9.3526 9.7689 9.7689 k = 0.0000 0.4643-0.0000 ( 10671 PWs) bands (ev): -38.5940 -38.5940 -38.5934 -38.5934 -3.6497 -3.6497 -3.4742 -3.4742 2.7582 2.7582 2.7696 2.7696 3.7511 3.7511 4.0486 4.0486 5.0418 5.0418 5.1709 5.1709 6.3691 6.3691 6.6201 6.6201 6.7197 6.7197 6.7835 6.7835 7.0143 7.0143 7.0386 7.0386 8.1089 8.1089 8.1439 8.1439 9.4049 9.4049 9.7189 9.7189 k = 0.0000 0.4762-0.0000 ( 10671 PWs) bands (ev): -38.5939 -38.5939 -38.5935 -38.5935 -3.6167 -3.6167 -3.4993 -3.4993 2.7493 2.7493 2.7575 2.7575 3.8043 3.8043 4.0041 4.0041 5.0636 5.0636 5.1498 5.1498 6.4135 6.4135 6.5852 6.5852 6.7237 6.7237 6.7715 6.7715 7.0099 7.0099 7.0268 7.0268 8.1077 8.1077 8.1311 8.1311 9.4577 9.4577 9.6679 9.6679 k = 0.0000 0.4881-0.0000 ( 10669 PWs) bands (ev): -38.5938 -38.5938 -38.5936 -38.5936 -3.5850 -3.5850 -3.5262 -3.5262 2.7450 2.7450 2.7492 2.7492 3.8567 3.8567 3.9571 3.9571 5.0854 5.0854 5.1286 5.1286 6.4579 6.4579 6.5447 6.5447 6.7335 6.7335 6.7587 6.7587 7.0092 7.0092 7.0179 7.0179 8.1094 8.1094 8.1211 8.1211 9.5106 9.5106 9.6160 9.6160 k = 0.0000 0.5000-0.0000 ( 10672 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5548 -3.5548 -3.5548 -3.5548 2.7450 2.7450 2.7450 2.7450 3.9078 3.9078 3.9078 3.9078 5.1071 5.1071 5.1071 5.1071 6.5018 6.5018 6.5018 6.5018 6.7457 6.7457 6.7457 6.7457 7.0120 7.0120 7.0120 7.0120 8.1138 8.1138 8.1138 8.1138 9.5635 9.5635 9.5635 9.5635 k = 0.0000 0.5000-0.0000 ( 10672 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5548 -3.5548 -3.5548 -3.5548 2.7450 2.7450 2.7450 2.7450 3.9078 3.9078 3.9078 3.9078 5.1071 5.1071 5.1071 5.1071 6.5018 6.5018 6.5018 6.5018 6.7457 6.7457 6.7457 6.7457 7.0120 7.0120 7.0120 7.0120 8.1138 8.1138 8.1138 8.1138 9.5635 9.5635 9.5635 9.5635 k = 0.0119 0.5000-0.0000 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5541 -3.5541 -3.5540 -3.5540 2.7446 2.7446 2.7455 2.7455 3.9074 3.9074 3.9098 3.9098 5.1056 5.1056 5.1066 5.1066 6.4935 6.4935 6.5036 6.5036 6.7404 6.7404 6.7543 6.7543 7.0109 7.0109 7.0138 7.0138 8.1128 8.1128 8.1141 8.1141 9.5507 9.5507 9.5587 9.5587 k = 0.0238 0.5000-0.0000 ( 10668 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5520 -3.5520 -3.5517 -3.5517 2.7445 2.7445 2.7461 2.7461 3.9086 3.9086 3.9133 3.9133 5.1021 5.1021 5.1040 5.1040 6.4796 6.4796 6.4985 6.4985 6.7389 6.7389 6.7651 6.7651 7.0109 7.0109 7.0165 7.0165 8.1110 8.1110 8.1135 8.1135 9.5214 9.5214 9.5369 9.5369 k = 0.0357 0.5000-0.0000 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5483 -3.5483 -3.5479 -3.5479 2.7445 2.7445 2.7469 2.7469 3.9113 3.9113 3.9183 3.9183 5.0966 5.0966 5.0995 5.0995 6.4614 6.4614 6.4870 6.4870 6.7404 6.7404 6.7764 6.7764 7.0122 7.0122 7.0200 7.0200 8.1084 8.1084 8.1122 8.1122 9.4772 9.4772 9.4997 9.4997 k = 0.0476 0.5000-0.0000 ( 10674 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5432 -3.5432 -3.5426 -3.5426 2.7446 2.7446 2.7478 2.7478 3.9155 3.9155 3.9249 3.9249 5.0891 5.0891 5.0931 5.0931 6.4401 6.4401 6.4703 6.4703 6.7436 6.7436 6.7867 6.7867 7.0152 7.0152 7.0247 7.0247 8.1050 8.1050 8.1101 8.1101 9.4209 9.4209 9.4494 9.4494 k = 0.0595 0.5000-0.0000 ( 10678 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5366 -3.5366 -3.5358 -3.5358 2.7448 2.7448 2.7487 2.7487 3.9213 3.9213 3.9332 3.9332 5.0796 5.0796 5.0849 5.0849 6.4164 6.4164 6.4497 6.4497 6.7468 6.7468 6.7944 6.7944 7.0206 7.0206 7.0306 7.0306 8.1007 8.1007 8.1072 8.1072 9.3552 9.3552 9.3889 9.3889 k = 0.0714 0.5000-0.0000 ( 10682 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5285 -3.5285 -3.5276 -3.5276 2.7449 2.7449 2.7495 2.7495 3.9287 3.9287 3.9430 3.9430 5.0683 5.0683 5.0749 5.0749 6.3911 6.3911 6.4264 6.4264 6.7487 6.7487 6.7984 6.7984 7.0286 7.0286 7.0381 7.0381 8.0955 8.0955 8.1033 8.1033 9.2830 9.2830 9.3211 9.3211 k = 0.0833 0.5000-0.0000 ( 10678 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5191 -3.5191 -3.5180 -3.5180 2.7448 2.7448 2.7502 2.7502 3.9377 3.9377 3.9544 3.9544 5.0552 5.0552 5.0632 5.0632 6.3646 6.3646 6.4011 6.4011 6.7481 6.7481 6.7981 6.7981 7.0395 7.0395 7.0472 7.0472 8.0893 8.0893 8.0985 8.0985 9.2069 9.2069 9.2486 9.2486 k = 0.0952 0.5000-0.0000 ( 10674 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5082 -3.5082 -3.5071 -3.5071 2.7446 2.7446 2.7506 2.7506 3.9483 3.9483 3.9675 3.9675 5.0403 5.0403 5.0500 5.0500 6.3372 6.3372 6.3745 6.3745 6.7444 6.7444 6.7930 6.7930 7.0531 7.0531 7.0580 7.0580 8.0820 8.0820 8.0928 8.0928 9.1291 9.1291 9.1739 9.1739 k = 0.1071 0.5000-0.0000 ( 10668 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.4960 -3.4960 -3.4947 -3.4947 2.7439 2.7439 2.7505 2.7505 3.9605 3.9605 3.9822 3.9822 5.0239 5.0239 5.0354 5.0354 6.3093 6.3093 6.3470 6.3470 6.7371 6.7371 6.7834 6.7834 7.0688 7.0688 7.0702 7.0702 8.0735 8.0735 8.0859 8.0859 9.0516 9.0516 9.0989 9.0989 k = 0.1190 0.5000-0.0000 ( 10664 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4825 -3.4825 -3.4811 -3.4811 2.7427 2.7427 2.7498 2.7498 3.9742 3.9742 3.9985 3.9985 5.0060 5.0060 5.0195 5.0195 6.2811 6.2811 6.3190 6.3190 6.7262 6.7262 6.7695 6.7695 7.0838 7.0838 7.0862 7.0862 8.0638 8.0638 8.0778 8.0778 8.9760 8.9760 9.0253 9.0253 k = 0.1310 0.5000-0.0000 ( 10662 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4678 -3.4678 -3.4662 -3.4662 2.7408 2.7408 2.7484 2.7484 3.9896 3.9896 4.0166 4.0166 4.9869 4.9869 5.0026 5.0026 6.2527 6.2527 6.2906 6.2906 6.7114 6.7114 6.7517 6.7517 7.0983 7.0983 7.1046 7.1046 8.0528 8.0528 8.0684 8.0684 8.9035 8.9035 8.9545 8.9545 k = 0.1429 0.5000-0.0000 ( 10666 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4518 -3.4518 -3.4502 -3.4502 2.7381 2.7381 2.7461 2.7461 4.0067 4.0067 4.0363 4.0363 4.9667 4.9667 4.9848 4.9848 6.2243 6.2243 6.2622 6.2622 6.6931 6.6931 6.7303 6.7303 7.1134 7.1134 7.1235 7.1235 8.0403 8.0403 8.0576 8.0576 8.8353 8.8353 8.8875 8.8875 k = 0.1548 0.5000-0.0000 ( 10650 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4347 -3.4347 -3.4329 -3.4329 2.7343 2.7343 2.7427 2.7427 4.0253 4.0253 4.0578 4.0578 4.9455 4.9455 4.9664 4.9664 6.1960 6.1960 6.2339 6.2339 6.6714 6.6714 6.7056 6.7056 7.1289 7.1289 7.1426 7.1426 8.0263 8.0263 8.0453 8.0453 8.7720 8.7720 8.8253 8.8253 k = 0.1667 0.5000-0.0000 ( 10634 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4165 -3.4165 -3.4147 -3.4147 2.7294 2.7294 2.7381 2.7381 4.0456 4.0456 4.0808 4.0808 4.9238 4.9238 4.9477 4.9477 6.1679 6.1679 6.2057 6.2057 6.6466 6.6466 6.6779 6.6779 7.1444 7.1444 7.1616 7.1616 8.0107 8.0107 8.0313 8.0313 8.7143 8.7143 8.7682 8.7682 k = 0.1786 0.5000-0.0000 ( 10650 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.3973 -3.3973 -3.3954 -3.3954 2.7232 2.7232 2.7320 2.7320 4.0674 4.0674 4.1056 4.1056 4.9017 4.9017 4.9288 4.9288 6.1401 6.1401 6.1778 6.1778 6.6188 6.6188 6.6476 6.6476 7.1597 7.1597 7.1800 7.1800 7.9935 7.9935 8.0157 8.0157 8.6625 8.6625 8.7166 8.7166 k = 0.1905 0.5000-0.0000 ( 10654 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3772 -3.3772 -3.3752 -3.3752 2.7155 2.7155 2.7244 2.7244 4.0907 4.0907 4.1320 4.1320 4.8795 4.8795 4.9101 4.9101 6.1127 6.1127 6.1503 6.1503 6.5885 6.5885 6.6150 6.6150 7.1745 7.1745 7.1979 7.1979 7.9747 7.9747 7.9983 7.9983 8.6167 8.6167 8.6707 8.6707 k = 0.2024 0.5000-0.0000 ( 10642 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3562 -3.3562 -3.3541 -3.3541 2.7062 2.7062 2.7151 2.7151 4.1155 4.1155 4.1599 4.1599 4.8575 4.8575 4.8920 4.8920 6.0858 6.0858 6.1232 6.1232 6.5560 6.5560 6.5803 6.5803 7.1888 7.1888 7.2149 7.2149 7.9544 7.9544 7.9792 7.9792 8.5769 8.5769 8.6304 8.6304 k = 0.2143 0.5000-0.0000 ( 10638 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3345 -3.3345 -3.3323 -3.3323 2.6952 2.6952 2.7039 2.7039 4.1416 4.1416 4.1894 4.1894 4.8361 4.8361 4.8746 4.8746 6.0594 6.0594 6.0967 6.0967 6.5216 6.5216 6.5440 6.5440 7.2023 7.2023 7.2310 7.2310 7.9326 7.9326 7.9585 7.9585 8.5429 8.5429 8.5954 8.5954 k = 0.2262 0.5000-0.0000 ( 10636 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3121 -3.3121 -3.3098 -3.3098 2.6823 2.6823 2.6909 2.6909 4.1689 4.1689 4.2202 4.2202 4.8155 4.8155 4.8584 4.8584 6.0336 6.0336 6.0707 6.0707 6.4857 6.4857 6.5063 6.5063 7.2149 7.2149 7.2460 7.2460 7.9096 7.9096 7.9363 7.9363 8.5142 8.5142 8.5655 8.5655 k = 0.2381 0.5000-0.0000 ( 10628 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.2891 -3.2891 -3.2868 -3.2868 2.6676 2.6676 2.6760 2.6760 4.1972 4.1972 4.2522 4.2522 4.7961 4.7961 4.8438 4.8438 6.0085 6.0085 6.0454 6.0454 6.4486 6.4486 6.4677 6.4677 7.2265 7.2265 7.2598 7.2598 7.8854 7.8854 7.9129 7.9129 8.4904 8.4904 8.5402 8.5402 k = 0.2500 0.5000-0.0000 ( 10632 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2657 -3.2657 -3.2634 -3.2634 2.6511 2.6511 2.6591 2.6591 4.2263 4.2263 4.2852 4.2852 4.7784 4.7784 4.8310 4.8310 5.9840 5.9840 6.0207 6.0207 6.4108 6.4108 6.4285 6.4285 7.2371 7.2371 7.2724 7.2724 7.8603 7.8603 7.8884 7.8884 8.4710 8.4710 8.5191 8.5191 k = 0.2619 0.5000-0.0000 ( 10638 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2420 -3.2420 -3.2396 -3.2396 2.6327 2.6327 2.6404 2.6404 4.2560 4.2560 4.3188 4.3188 4.7627 4.7627 4.8205 4.8205 5.9603 5.9603 5.9968 5.9968 6.3725 6.3725 6.3890 6.3890 7.2464 7.2464 7.2835 7.2835 7.8345 7.8345 7.8631 7.8631 8.4555 8.4555 8.5016 8.5016 k = 0.2738 0.5000-0.0000 ( 10638 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2181 -3.2181 -3.2157 -3.2157 2.6127 2.6127 2.6199 2.6199 4.2858 4.2858 4.3528 4.3528 4.7495 4.7495 4.8125 4.8125 5.9375 5.9375 5.9736 5.9736 6.3341 6.3341 6.3494 6.3494 7.2544 7.2544 7.2931 7.2931 7.8082 7.8082 7.8372 7.8372 8.4434 8.4434 8.4873 8.4873 k = 0.2857 0.5000-0.0000 ( 10652 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.1940 -3.1940 -3.1917 -3.1917 2.5910 2.5910 2.5978 2.5978 4.3155 4.3155 4.3864 4.3864 4.7394 4.7394 4.8076 4.8076 5.9155 5.9155 5.9512 5.9512 6.2958 6.2958 6.3101 6.3101 7.2610 7.2610 7.3011 7.3011 7.7817 7.7817 7.8110 7.8110 8.4341 8.4341 8.4758 8.4758 k = 0.2976 0.5000-0.0000 ( 10648 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.1701 -3.1701 -3.1677 -3.1677 2.5679 2.5679 2.5742 2.5742 4.3444 4.3444 4.4189 4.4189 4.7331 4.7331 4.8061 4.8061 5.8944 5.8944 5.9297 5.9297 6.2578 6.2578 6.2712 6.2712 7.2661 7.2661 7.3073 7.3073 7.7551 7.7551 7.7846 7.7846 8.4273 8.4273 8.4668 8.4668 k = 0.3095 0.5000-0.0000 ( 10650 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.1463 -3.1463 -3.1440 -3.1440 2.5436 2.5436 2.5495 2.5495 4.3722 4.3722 4.4494 4.4494 4.7316 4.7316 4.8084 4.8084 5.8743 5.8743 5.9091 5.9091 6.2205 6.2205 6.2331 6.2331 7.2696 7.2696 7.3116 7.3116 7.7289 7.7289 7.7585 7.7585 8.4225 8.4225 8.4597 8.4597 k = 0.3214 0.5000-0.0000 ( 10646 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.1229 -3.1229 -3.1206 -3.1206 2.5184 2.5184 2.5238 2.5238 4.3982 4.3982 4.4765 4.4765 4.7357 4.7357 4.8146 4.8146 5.8552 5.8552 5.8894 5.8894 6.1839 6.1839 6.1957 6.1957 7.2713 7.2713 7.3136 7.3136 7.7034 7.7034 7.7329 7.7329 8.4195 8.4195 8.4543 8.4543 k = 0.3333 0.5000-0.0000 ( 10646 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.1000 -3.1000 -3.0978 -3.0978 2.4926 2.4926 2.4975 2.4975 4.4222 4.4222 4.4991 4.4991 4.7465 4.7465 4.8251 4.8251 5.8372 5.8372 5.8707 5.8707 6.1482 6.1482 6.1594 6.1594 7.2711 7.2711 7.3134 7.3134 7.6790 7.6790 7.7081 7.7081 8.4179 8.4179 8.4503 8.4503 k = 0.3452 0.5000-0.0000 ( 10638 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.0777 -3.0777 -3.0756 -3.0756 2.4665 2.4665 2.4710 2.4710 4.4436 4.4436 4.5167 4.5167 4.7642 4.7642 4.8398 4.8398 5.8204 5.8204 5.8531 5.8531 6.1136 6.1136 6.1241 6.1241 7.2689 7.2689 7.3105 7.3105 7.6562 7.6562 7.6845 7.6845 8.4174 8.4174 8.4475 8.4475 k = 0.3571 0.5000-0.0000 ( 10650 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.0563 -3.0563 -3.0543 -3.0543 2.4405 2.4405 2.4445 2.4445 4.4625 4.4625 4.5295 4.5295 4.7881 4.7881 4.8584 4.8584 5.8049 5.8049 5.8365 5.8365 6.0801 6.0801 6.0900 6.0900 7.2646 7.2646 7.3050 7.3050 7.6353 7.6353 7.6624 7.6624 8.4179 8.4179 8.4456 8.4456 k = 0.3690 0.5000-0.0000 ( 10650 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -3.0358 -3.0358 -3.0339 -3.0339 2.4149 2.4149 2.4184 2.4184 4.4788 4.4788 4.5383 4.5383 4.8169 4.8169 4.8803 4.8803 5.7907 5.7907 5.8211 5.8211 6.0479 6.0479 6.0572 6.0572 7.2582 7.2582 7.2967 7.2967 7.6168 7.6168 7.6423 7.6423 8.4190 8.4190 8.4445 8.4445 k = 0.3810 0.5000-0.0000 ( 10642 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -3.0165 -3.0165 -3.0147 -3.0147 2.3900 2.3900 2.3932 2.3932 4.4927 4.4927 4.5443 4.5443 4.8489 4.8489 4.9050 4.9050 5.7779 5.7779 5.8070 5.8070 6.0170 6.0170 6.0258 6.0258 7.2499 7.2499 7.2858 7.2858 7.6008 7.6008 7.6242 7.6242 8.4207 8.4207 8.4438 8.4438 k = 0.3929 0.5000-0.0000 ( 10634 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9984 -2.9984 -2.9967 -2.9967 2.3663 2.3663 2.3691 2.3691 4.5045 4.5045 4.5484 4.5484 4.8828 4.8828 4.9314 4.9314 5.7667 5.7667 5.7942 5.7942 5.9875 5.9875 5.9958 5.9958 7.2399 7.2399 7.2727 7.2727 7.5875 7.5875 7.6084 7.6084 8.4228 8.4228 8.4436 8.4436 k = 0.4048 0.5000-0.0000 ( 10620 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9818 -2.9818 -2.9803 -2.9803 2.3440 2.3440 2.3464 2.3464 4.5145 4.5145 4.5512 4.5512 4.9170 4.9170 4.9586 4.9586 5.7571 5.7571 5.7828 5.7828 5.9596 5.9596 5.9674 5.9674 7.2286 7.2286 7.2579 7.2579 7.5767 7.5767 7.5949 7.5949 8.4252 8.4252 8.4436 8.4436 k = 0.4167 0.5000-0.0000 ( 10622 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9667 -2.9667 -2.9653 -2.9653 2.3235 2.3235 2.3256 2.3256 4.5230 4.5230 4.5533 4.5533 4.9506 4.9506 4.9857 4.9857 5.7492 5.7492 5.7730 5.7730 5.9333 5.9333 5.9407 5.9407 7.2166 7.2166 7.2422 7.2422 7.5682 7.5682 7.5836 7.5836 8.4276 8.4276 8.4437 8.4437 k = 0.4286 0.5000-0.0000 ( 10614 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9533 -2.9533 -2.9521 -2.9521 2.3052 2.3052 2.3069 2.3069 4.5302 4.5302 4.5547 4.5547 4.9824 4.9824 5.0116 5.0116 5.7432 5.7432 5.7648 5.7648 5.9089 5.9089 5.9158 5.9158 7.2046 7.2046 7.2263 7.2263 7.5616 7.5616 7.5743 7.5743 8.4301 8.4301 8.4439 8.4439 k = 0.4405 0.5000-0.0000 ( 10614 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9418 -2.9418 -2.9408 -2.9408 2.2891 2.2891 2.2906 2.2906 4.5363 4.5363 4.5557 4.5557 5.0117 5.0117 5.0354 5.0354 5.7391 5.7391 5.7583 5.7583 5.8866 5.8866 5.8931 5.8931 7.1931 7.1931 7.2110 7.2110 7.5567 7.5567 7.5669 7.5669 8.4325 8.4325 8.4440 8.4440 k = 0.4524 0.5000-0.0000 ( 10610 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9322 -2.9322 -2.9313 -2.9313 2.2757 2.2757 2.2769 2.2769 4.5414 4.5414 4.5563 4.5563 5.0374 5.0374 5.0560 5.0560 5.7369 5.7369 5.7533 5.7533 5.8670 5.8670 5.8728 5.8728 7.1830 7.1830 7.1971 7.1971 7.5533 7.5533 7.5611 7.5611 8.4348 8.4348 8.4440 8.4440 k = 0.4643 0.5000-0.0000 ( 10614 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9245 -2.9245 -2.9239 -2.9239 2.2651 2.2651 2.2660 2.2660 4.5457 4.5457 4.5565 4.5565 5.0590 5.0590 5.0727 5.0727 5.7365 5.7365 5.7498 5.7498 5.8504 5.8504 5.8555 5.8555 7.1747 7.1747 7.1852 7.1852 7.5509 7.5509 7.5566 7.5566 8.4369 8.4369 8.4438 8.4438 k = 0.4762 0.5000-0.0000 ( 10614 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9190 -2.9190 -2.9186 -2.9186 2.2574 2.2574 2.2580 2.2580 4.5491 4.5491 4.5562 4.5562 5.0755 5.0755 5.0846 5.0846 5.7377 5.7377 5.7472 5.7472 5.8379 5.8379 5.8418 5.8418 7.1689 7.1689 7.1759 7.1759 7.5496 7.5496 7.5533 7.5533 8.4388 8.4388 8.4433 8.4433 k = 0.4881 0.5000-0.0000 ( 10614 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9157 -2.9157 -2.9154 -2.9154 2.2529 2.2529 2.2531 2.2531 4.5519 4.5519 4.5553 4.5553 5.0866 5.0866 5.0911 5.0911 5.7400 5.7400 5.7449 5.7449 5.8304 5.8304 5.8325 5.8325 7.1660 7.1660 7.1694 7.1694 7.5492 7.5492 7.5510 7.5510 8.4403 8.4403 8.4426 8.4426 k = 0.5000 0.5000-0.0000 ( 10600 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2514 2.2514 2.2514 2.2514 4.5539 4.5539 4.5539 4.5539 5.0919 5.0919 5.0919 5.0919 5.7425 5.7425 5.7425 5.7425 5.8285 5.8285 5.8285 5.8285 7.1661 7.1661 7.1661 7.1661 7.5497 7.5497 7.5497 7.5497 8.4416 8.4416 8.4416 8.4416 k = 0.5000 0.5000-0.0000 ( 10600 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2514 2.2514 2.2514 2.2514 4.5539 4.5539 4.5539 4.5539 5.0919 5.0919 5.0919 5.0919 5.7425 5.7425 5.7425 5.7425 5.8285 5.8285 5.8285 5.8285 7.1661 7.1661 7.1661 7.1661 7.5497 7.5497 7.5497 7.5497 8.4416 8.4416 8.4416 8.4416 k = 0.4915 0.4915-0.0000 ( 10614 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9163 -2.9163 -2.9148 -2.9148 2.2528 2.2528 2.2532 2.2532 4.5518 4.5518 4.5554 4.5554 5.0850 5.0850 5.0926 5.0926 5.7400 5.7400 5.7450 5.7450 5.8295 5.8295 5.8335 5.8335 7.1654 7.1654 7.1701 7.1701 7.5491 7.5491 7.5512 7.5512 8.4403 8.4403 8.4427 8.4427 k = 0.4831 0.4831-0.0000 ( 10610 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9218 -2.9218 -2.9160 -2.9160 2.2573 2.2573 2.2584 2.2584 4.5486 4.5486 4.5566 4.5566 5.0671 5.0671 5.0929 5.0929 5.7379 5.7379 5.7472 5.7472 5.8332 5.8332 5.8465 5.8465 7.1655 7.1655 7.1796 7.1796 7.5484 7.5484 7.5545 7.5545 8.4384 8.4384 8.4437 8.4437 k = 0.4746 0.4746-0.0000 ( 10622 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9308 -2.9308 -2.9180 -2.9180 2.2647 2.2647 2.2670 2.2670 4.5442 4.5442 4.5579 4.5579 5.0383 5.0383 5.0931 5.0931 5.7369 5.7369 5.7501 5.7501 5.8395 5.8395 5.8656 5.8656 7.1660 7.1660 7.1952 7.1952 7.5474 7.5474 7.5599 7.5599 8.4358 8.4358 8.4448 8.4448 k = 0.4661 0.4661-0.0000 ( 10614 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9434 -2.9434 -2.9207 -2.9207 2.2750 2.2750 2.2790 2.2790 4.5383 4.5383 4.5594 4.5594 5.0001 5.0001 5.0935 5.0935 5.7371 5.7371 5.7543 5.7543 5.8482 5.8482 5.8891 5.8891 7.1666 7.1666 7.2167 7.2167 7.5461 7.5461 7.5673 7.5673 8.4325 8.4325 8.4462 8.4462 k = 0.4576 0.4576-0.0000 ( 10618 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9595 -2.9595 -2.9241 -2.9241 2.2883 2.2883 2.2942 2.2942 4.5308 4.5308 4.5611 4.5611 4.9537 4.9537 5.0939 5.0939 5.7381 5.7381 5.7606 5.7606 5.8593 5.8593 5.9154 5.9154 7.1675 7.1675 7.2438 7.2438 7.5445 7.5445 7.5768 7.5768 8.4284 8.4284 8.4479 8.4479 k = 0.4492 0.4492-0.0000 ( 10622 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9788 -2.9788 -2.9283 -2.9283 2.3045 2.3045 2.3126 2.3126 4.5218 4.5218 4.5630 4.5630 4.9006 4.9006 5.0945 5.0945 5.7399 5.7399 5.7692 5.7692 5.8727 5.8727 5.9436 5.9436 7.1688 7.1688 7.2762 7.2762 7.5425 7.5425 7.5883 7.5883 8.4237 8.4237 8.4499 8.4499 k = 0.4407 0.4407-0.0000 ( 10628 PWs) bands (ev): -38.5933 -38.5933 -38.5931 -38.5931 -3.0014 -3.0014 -2.9333 -2.9333 2.3236 2.3236 2.3340 2.3340 4.5112 4.5112 4.5652 4.5652 4.8420 4.8420 5.0951 5.0951 5.7424 5.7424 5.7798 5.7798 5.8885 5.8885 5.9730 5.9730 7.1704 7.1704 7.3135 7.3135 7.5402 7.5402 7.6019 7.6019 8.4184 8.4184 8.4522 8.4522 k = 0.4322 0.4322-0.0000 ( 10640 PWs) bands (ev): -38.5933 -38.5933 -38.5931 -38.5931 -3.0269 -3.0269 -2.9389 -2.9389 2.3457 2.3457 2.3583 2.3583 4.4989 4.4989 4.5677 4.5677 4.7792 4.7792 5.0959 5.0959 5.7459 5.7459 5.7919 5.7919 5.9066 5.9066 6.0034 6.0034 7.1724 7.1724 7.3553 7.3553 7.5375 7.5375 7.6175 7.6175 8.4127 8.4127 8.4548 8.4548 k = 0.4237 0.4237-0.0000 ( 10648 PWs) bands (ev): -38.5934 -38.5934 -38.5931 -38.5931 -3.0553 -3.0553 -2.9453 -2.9453 2.3706 2.3706 2.3854 2.3854 4.4847 4.4847 4.5703 4.5703 4.7132 4.7132 5.0968 5.0968 5.7506 5.7506 5.8049 5.8049 5.9269 5.9269 6.0345 6.0345 7.1749 7.1749 7.4011 7.4011 7.5346 7.5346 7.6351 7.6351 8.4068 8.4068 8.4577 8.4577 k = 0.4153 0.4153-0.0000 ( 10638 PWs) bands (ev): -38.5934 -38.5934 -38.5930 -38.5930 -3.0864 -3.0864 -2.9523 -2.9523 2.3983 2.3983 2.4150 2.4150 4.4681 4.4681 4.5730 4.5730 4.6455 4.6455 5.0979 5.0979 5.7567 5.7567 5.8181 5.8181 5.9494 5.9494 6.0664 6.0664 7.1779 7.1779 7.4504 7.4504 7.5314 7.5314 7.6547 7.6547 8.4007 8.4007 8.4609 8.4609 k = 0.4068 0.4068-0.0000 ( 10638 PWs) bands (ev): -38.5935 -38.5935 -38.5930 -38.5930 -3.1200 -3.1200 -2.9599 -2.9599 2.4289 2.4289 2.4471 2.4471 4.4475 4.4475 4.5733 4.5733 4.5808 4.5808 5.0993 5.0993 5.7645 5.7645 5.8311 5.8311 5.9741 5.9741 6.0992 6.0992 7.1816 7.1816 7.5022 7.5022 7.5288 7.5288 7.6763 7.6763 8.3948 8.3948 8.4644 8.4644 k = 0.3983 0.3983-0.0000 ( 10648 PWs) bands (ev): -38.5935 -38.5935 -38.5930 -38.5930 -3.1558 -3.1558 -2.9682 -2.9682 2.4623 2.4623 2.4815 2.4815 4.4184 4.4184 4.5161 4.5161 4.5793 4.5793 5.1008 5.1008 5.7739 5.7739 5.8431 5.8431 6.0009 6.0009 6.1329 6.1329 7.1859 7.1859 7.5226 7.5226 7.5601 7.5601 7.6999 7.6999 8.3892 8.3892 8.4681 8.4681 k = 0.3898 0.3898-0.0000 ( 10656 PWs) bands (ev): -38.5936 -38.5936 -38.5930 -38.5930 -3.1937 -3.1937 -2.9770 -2.9770 2.4985 2.4985 2.5179 2.5179 4.3724 4.3724 4.4690 4.4690 4.5822 4.5822 5.1026 5.1026 5.7852 5.7852 5.8539 5.8539 6.0298 6.0298 6.1677 6.1677 7.1910 7.1910 7.5191 7.5191 7.6175 7.6175 7.7255 7.7255 8.3842 8.3842 8.4721 8.4721 k = 0.3814 0.3814-0.0000 ( 10656 PWs) bands (ev): -38.5937 -38.5937 -38.5929 -38.5929 -3.2335 -3.2335 -2.9864 -2.9864 2.5373 2.5373 2.5562 2.5562 4.3089 4.3089 4.4376 4.4376 4.5851 4.5851 5.1048 5.1048 5.7983 5.7983 5.8631 5.8631 6.0607 6.0607 6.2034 6.2034 7.1968 7.1968 7.5149 7.5149 7.6772 7.6772 7.7533 7.7533 8.3801 8.3801 8.4763 8.4763 k = 0.3729 0.3729-0.0000 ( 10668 PWs) bands (ev): -38.5937 -38.5937 -38.5929 -38.5929 -3.2750 -3.2750 -2.9963 -2.9963 2.5788 2.5788 2.5964 2.5964 4.2368 4.2368 4.4134 4.4134 4.5880 4.5880 5.1073 5.1073 5.8131 5.8131 5.8706 5.8706 6.0935 6.0935 6.2399 6.2399 7.2035 7.2035 7.5104 7.5104 7.7383 7.7383 7.7834 7.7834 8.3771 8.3771 8.4808 8.4808 k = 0.3644 0.3644-0.0000 ( 10682 PWs) bands (ev): -38.5938 -38.5938 -38.5929 -38.5929 -3.3179 -3.3179 -3.0067 -3.0067 2.6228 2.6228 2.6381 2.6381 4.1613 4.1613 4.3919 4.3919 4.5908 4.5908 5.1102 5.1102 5.8295 5.8295 5.8764 5.8764 6.1282 6.1282 6.2771 6.2771 7.2111 7.2111 7.5057 7.5057 7.7981 7.7981 7.8182 7.8182 8.3755 8.3755 8.4855 8.4855 k = 0.3559 0.3559-0.0000 ( 10686 PWs) bands (ev): -38.5939 -38.5939 -38.5929 -38.5929 -3.3621 -3.3621 -3.0176 -3.0176 2.6691 2.6691 2.6817 2.6817 4.0844 4.0844 4.3712 4.3712 4.5934 4.5934 5.1136 5.1136 5.8467 5.8467 5.8813 5.8813 6.1646 6.1646 6.3145 6.3145 7.2196 7.2196 7.5009 7.5009 7.8430 7.8430 7.8708 7.8708 8.3756 8.3756 8.4904 8.4904 k = 0.3475 0.3475-0.0000 ( 10694 PWs) bands (ev): -38.5940 -38.5940 -38.5928 -38.5928 -3.4074 -3.4074 -3.0288 -3.0288 2.7167 2.7167 2.7274 2.7274 4.0072 4.0072 4.3509 4.3509 4.5958 4.5958 5.1175 5.1175 5.8617 5.8617 5.8883 5.8883 6.2027 6.2027 6.3518 6.3518 7.2290 7.2290 7.4960 7.4960 7.8799 7.8799 7.9342 7.9342 8.3778 8.3778 8.4954 8.4954 k = 0.3390 0.3390-0.0000 ( 10690 PWs) bands (ev): -38.5941 -38.5941 -38.5928 -38.5928 -3.4536 -3.4536 -3.0404 -3.0404 2.7641 2.7641 2.7768 2.7768 3.9303 3.9303 4.3307 4.3307 4.5980 4.5980 5.1220 5.1220 5.8683 5.8683 5.9035 5.9035 6.2423 6.2423 6.3887 6.3887 7.2395 7.2395 7.4910 7.4910 7.9176 7.9176 7.9991 7.9991 8.3823 8.3823 8.5007 8.5007 k = 0.3305 0.3305-0.0000 ( 10690 PWs) bands (ev): -38.5942 -38.5942 -38.5928 -38.5928 -3.5005 -3.5005 -3.0524 -3.0524 2.8105 2.8105 2.8302 2.8302 3.8542 3.8542 4.3106 4.3106 4.5998 4.5998 5.1270 5.1270 5.8677 5.8677 5.9258 5.9258 6.2834 6.2834 6.4246 6.4246 7.2509 7.2509 7.4860 7.4860 7.9571 7.9571 8.0644 8.0644 8.3894 8.3894 8.5063 8.5063 k = 0.3220 0.3220-0.0000 ( 10694 PWs) bands (ev): -38.5942 -38.5942 -38.5927 -38.5927 -3.5479 -3.5479 -3.0647 -3.0647 2.8564 2.8564 2.8867 2.8867 3.7795 3.7795 4.2906 4.2906 4.6013 4.6013 5.1326 5.1326 5.8636 5.8636 5.9517 5.9517 6.3258 6.3258 6.4591 6.4591 7.2634 7.2634 7.4811 7.4811 7.9984 7.9984 8.1297 8.1297 8.3992 8.3992 8.5121 8.5121 k = 0.3136 0.3136-0.0000 ( 10688 PWs) bands (ev): -38.5943 -38.5943 -38.5927 -38.5927 -3.5958 -3.5958 -3.0772 -3.0772 2.9016 2.9016 2.9459 2.9459 3.7069 3.7069 4.2706 4.2706 4.6024 4.6024 5.1389 5.1389 5.8573 5.8573 5.9801 5.9801 6.3692 6.3692 6.4918 6.4918 7.2768 7.2768 7.4762 7.4762 8.0417 8.0417 8.1946 8.1946 8.4121 8.4121 8.5183 8.5183 k = 0.3051 0.3051-0.0000 ( 10688 PWs) bands (ev): -38.5944 -38.5944 -38.5926 -38.5926 -3.6439 -3.6439 -3.0899 -3.0899 2.9456 2.9456 3.0075 3.0075 3.6371 3.6371 4.2507 4.2507 4.6031 4.6031 5.1458 5.1458 5.8490 5.8490 6.0105 6.0105 6.4136 6.4136 6.5223 6.5223 7.2912 7.2912 7.4716 7.4716 8.0870 8.0870 8.2587 8.2587 8.4279 8.4279 8.5252 8.5252 k = 0.2966 0.2966-0.0000 ( 10676 PWs) bands (ev): -38.5945 -38.5945 -38.5926 -38.5926 -3.6920 -3.6920 -3.1028 -3.1028 2.9871 2.9871 3.0714 3.0714 3.5716 3.5716 4.2309 4.2309 4.6034 4.6034 5.1533 5.1533 5.8392 5.8392 6.0428 6.0428 6.4587 6.4587 6.5504 6.5504 7.3065 7.3065 7.4673 7.4673 8.1343 8.1343 8.3216 8.3216 8.4466 8.4466 8.5331 8.5331 k = 0.2881 0.2881-0.0000 ( 10676 PWs) bands (ev): -38.5946 -38.5946 -38.5926 -38.5926 -3.7401 -3.7401 -3.1159 -3.1159 3.0241 3.0241 3.1373 3.1373 3.5125 3.5125 4.2113 4.2113 4.6032 4.6032 5.1616 5.1616 5.8280 5.8280 6.0769 6.0769 6.5042 6.5042 6.5759 6.5759 7.3226 7.3226 7.4634 7.4634 8.1836 8.1836 8.3826 8.3826 8.4679 8.4679 8.5428 8.5428 k = 0.2797 0.2797-0.0000 ( 10688 PWs) bands (ev): -38.5947 -38.5947 -38.5925 -38.5925 -3.7879 -3.7879 -3.1290 -3.1290 3.0528 3.0528 3.2051 3.2051 3.4639 3.4639 4.1920 4.1920 4.6026 4.6026 5.1705 5.1705 5.8155 5.8155 6.1127 6.1127 6.5495 6.5495 6.5990 6.5990 7.3394 7.3394 7.4602 7.4602 8.2350 8.2350 8.4394 8.4394 8.4921 8.4921 8.5560 8.5560 k = 0.2712 0.2712-0.0000 ( 10696 PWs) bands (ev): -38.5948 -38.5948 -38.5925 -38.5925 -3.8355 -3.8355 -3.1422 -3.1422 3.0677 3.0677 3.2740 3.2740 3.4319 3.4319 4.1729 4.1729 4.6015 4.6015 5.1801 5.1801 5.8018 5.8018 6.1502 6.1502 6.5928 6.5928 6.6211 6.6211 7.3565 7.3565 7.4580 7.4580 8.2884 8.2884 8.4834 8.4834 8.5253 8.5253 8.5751 8.5751 k = 0.2627 0.2627-0.0000 ( 10688 PWs) bands (ev): -38.5949 -38.5949 -38.5924 -38.5924 -3.8826 -3.8826 -3.1554 -3.1554 3.0629 3.0629 3.3421 3.3421 3.4242 3.4242 4.1540 4.1540 4.5999 4.5999 5.1903 5.1903 5.7872 5.7872 6.1894 6.1894 6.6246 6.6246 6.6516 6.6516 7.3735 7.3735 7.4573 7.4573 8.3438 8.3438 8.5066 8.5066 8.5728 8.5728 8.6022 8.6022 k = 0.2542 0.2542-0.0000 ( 10692 PWs) bands (ev): -38.5950 -38.5950 -38.5924 -38.5924 -3.9292 -3.9292 -3.1686 -3.1686 3.0380 3.0380 3.4000 3.4000 3.4506 3.4506 4.1356 4.1356 4.5979 4.5979 5.2012 5.2012 5.7717 5.7717 6.2301 6.2301 6.6414 6.6414 6.6935 6.6935 7.3897 7.3897 7.4591 7.4591 8.4012 8.4012 8.5197 8.5197 8.6218 8.6218 8.6393 8.6393 k = 0.2458 0.2458-0.0000 ( 10692 PWs) bands (ev): -38.5951 -38.5951 -38.5924 -38.5924 -3.9750 -3.9750 -3.1818 -3.1818 2.9984 2.9984 3.4408 3.4408 3.5125 3.5125 4.1174 4.1174 4.5955 4.5955 5.2126 5.2126 5.7555 5.7555 6.2723 6.2723 6.6526 6.6526 6.7374 6.7374 7.4037 7.4037 7.4645 7.4645 8.4604 8.4604 8.5288 8.5288 8.6652 8.6652 8.6867 8.6867 k = 0.2373 0.2373-0.0000 ( 10694 PWs) bands (ev): -38.5952 -38.5952 -38.5923 -38.5923 -4.0202 -4.0202 -3.1948 -3.1948 2.9503 2.9503 3.4812 3.4812 3.5867 3.5867 4.0997 4.0997 4.5926 4.5926 5.2247 5.2247 5.7386 5.7386 6.3160 6.3160 6.6606 6.6606 6.7806 6.7806 7.4146 7.4146 7.4750 7.4750 8.5188 8.5188 8.5386 8.5386 8.7084 8.7084 8.7367 8.7367 k = 0.2288 0.2288-0.0000 ( 10694 PWs) bands (ev): -38.5954 -38.5954 -38.5923 -38.5923 -4.0644 -4.0644 -3.2077 -3.2077 2.8980 2.8980 3.5254 3.5254 3.6647 3.6647 4.0825 4.0825 4.5893 4.5893 5.2372 5.2372 5.7212 5.7212 6.3610 6.3610 6.6659 6.6659 6.8223 6.8223 7.4225 7.4225 7.4903 7.4903 8.5385 8.5385 8.5877 8.5877 8.7536 8.7536 8.7855 8.7855 k = 0.2203 0.2203-0.0000 ( 10702 PWs) bands (ev): -38.5955 -38.5955 -38.5922 -38.5922 -4.1077 -4.1077 -3.2205 -3.2205 2.8439 2.8439 3.5723 3.5723 3.7448 3.7448 4.0659 4.0659 4.5857 4.5857 5.2502 5.2502 5.7034 5.7034 6.4074 6.4074 6.6690 6.6690 6.8619 6.8619 7.4292 7.4292 7.5091 7.5091 8.5438 8.5438 8.6524 8.6524 8.8008 8.8008 8.8323 8.8323 k = 0.2119 0.2119-0.0000 ( 10706 PWs) bands (ev): -38.5956 -38.5956 -38.5922 -38.5922 -4.1500 -4.1500 -3.2331 -3.2331 2.7896 2.7896 3.6208 3.6208 3.8263 3.8263 4.0501 4.0501 4.5817 4.5817 5.2637 5.2637 5.6852 5.6852 6.4548 6.4548 6.6703 6.6703 6.8989 6.8989 7.4361 7.4361 7.5299 7.5299 8.5480 8.5480 8.7192 8.7192 8.8494 8.8494 8.8772 8.8772 k = 0.2034 0.2034-0.0000 ( 10702 PWs) bands (ev): -38.5957 -38.5957 -38.5921 -38.5921 -4.1912 -4.1912 -3.2454 -3.2454 2.7358 2.7358 3.6703 3.6703 3.9081 3.9081 4.0358 4.0358 4.5774 4.5774 5.2775 5.2775 5.6668 5.6668 6.5029 6.5029 6.6704 6.6704 6.9327 6.9327 7.4443 7.4443 7.5520 7.5520 8.5515 8.5515 8.7876 8.7876 8.8978 8.8978 8.9210 8.9210 k = 0.1949 0.1949-0.0000 ( 10702 PWs) bands (ev): -38.5958 -38.5958 -38.5921 -38.5921 -4.2312 -4.2312 -3.2575 -3.2575 2.6830 2.6830 3.7201 3.7201 3.9829 3.9829 4.0303 4.0303 4.5729 4.5729 5.2917 5.2917 5.6483 5.6483 6.5508 6.5508 6.6706 6.6706 6.9627 6.9627 7.4545 7.4545 7.5748 7.5748 8.5546 8.5546 8.8567 8.8567 8.9430 8.9430 8.9671 8.9671 k = 0.1864 0.1864-0.0000 ( 10716 PWs) bands (ev): -38.5959 -38.5959 -38.5921 -38.5921 -4.2699 -4.2699 -3.2692 -3.2692 2.6317 2.6317 3.7697 3.7697 3.9969 3.9969 4.0873 4.0873 4.5682 4.5682 5.3061 5.3061 5.6297 5.6297 6.5951 6.5951 6.6744 6.6744 6.9887 6.9887 7.4669 7.4669 7.5981 7.5981 8.5572 8.5572 8.9238 8.9238 8.9844 8.9844 9.0179 9.0179 k = 0.1780 0.1780-0.0000 ( 10708 PWs) bands (ev): -38.5960 -38.5960 -38.5920 -38.5920 -4.3073 -4.3073 -3.2807 -3.2807 2.5819 2.5819 3.8186 3.8186 3.9863 3.9863 4.1707 4.1707 4.5632 4.5632 5.3206 5.3206 5.6112 5.6112 6.6243 6.6243 6.6935 6.6935 7.0103 7.0103 7.4819 7.4819 7.6216 7.6216 8.5596 8.5596 8.9794 8.9794 9.0325 9.0325 9.0720 9.0720 k = 0.1695 0.1695-0.0000 ( 10708 PWs) bands (ev): -38.5960 -38.5960 -38.5920 -38.5920 -4.3434 -4.3434 -3.2918 -3.2918 2.5340 2.5340 3.8655 3.8655 3.9759 3.9759 4.2566 4.2566 4.5582 4.5582 5.3353 5.3353 5.5928 5.5928 6.6316 6.6316 6.7347 6.7347 7.0275 7.0275 7.4991 7.4991 7.6450 7.6450 8.5617 8.5617 9.0142 9.0142 9.0969 9.0969 9.1284 9.1284 k = 0.1610 0.1610-0.0000 ( 10698 PWs) bands (ev): -38.5961 -38.5961 -38.5920 -38.5920 -4.3780 -4.3780 -3.3025 -3.3025 2.4880 2.4880 3.9059 3.9059 3.9714 3.9714 4.3431 4.3431 4.5531 4.5531 5.3499 5.3499 5.5747 5.5747 6.6295 6.6295 6.7860 6.7860 7.0405 7.0405 7.5183 7.5183 7.6683 7.6683 8.5635 8.5635 9.0364 9.0364 9.1676 9.1676 9.1884 9.1884 k = 0.1525 0.1525-0.0000 ( 10700 PWs) bands (ev): -38.5962 -38.5962 -38.5919 -38.5919 -4.4111 -4.4111 -3.3129 -3.3129 2.4440 2.4440 3.9244 3.9244 3.9883 3.9883 4.4298 4.4298 4.5480 4.5480 5.3646 5.3646 5.5568 5.5568 6.6241 6.6241 6.8410 6.8410 7.0495 7.0495 7.5390 7.5390 7.6913 7.6913 8.5652 8.5652 9.0511 9.0511 9.2336 9.2336 9.2574 9.2574 k = 0.1441 0.1441-0.0000 ( 10702 PWs) bands (ev): -38.5963 -38.5963 -38.5919 -38.5919 -4.4427 -4.4427 -3.3228 -3.3228 2.4021 2.4021 3.9211 3.9211 4.0264 4.0264 4.5155 4.5155 4.5437 4.5437 5.3790 5.3790 5.5394 5.5394 6.6175 6.6175 6.8979 6.8979 7.0550 7.0550 7.5605 7.5605 7.7138 7.7138 8.5668 8.5668 9.0595 9.0595 9.2942 9.2942 9.3343 9.3343 k = 0.1356 0.1356-0.0000 ( 10704 PWs) bands (ev): -38.5964 -38.5964 -38.5919 -38.5919 -4.4727 -4.4727 -3.3322 -3.3322 2.3624 2.3624 3.9123 3.9123 4.0693 4.0693 4.5371 4.5371 4.6032 4.6032 5.3933 5.3933 5.5224 5.5224 6.6102 6.6102 6.9561 6.9561 7.0574 7.0574 7.5822 7.5822 7.7357 7.7357 8.5683 8.5683 9.0619 9.0619 9.3538 9.3538 9.4141 9.4141 k = 0.1271 0.1271-0.0000 ( 10709 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.5011 -4.5011 -3.3412 -3.3412 2.3249 2.3249 3.9025 3.9025 4.1124 4.1124 4.5323 4.5323 4.6881 4.6881 5.4072 5.4072 5.5061 5.5061 6.6026 6.6026 7.0147 7.0147 7.0578 7.0578 7.6036 7.6036 7.7570 7.7570 8.5698 8.5698 9.0583 9.0583 9.4137 9.4137 9.4951 9.4951 k = 0.1186 0.1186-0.0000 ( 10719 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.5279 -4.5279 -3.3497 -3.3497 2.2896 2.2896 3.8928 3.8928 4.1544 4.1544 4.5276 4.5276 4.7719 4.7719 5.4206 5.4206 5.4905 5.4905 6.5950 6.5950 7.0512 7.0512 7.0787 7.0787 7.6241 7.6241 7.7774 7.7774 8.5713 8.5713 9.0489 9.0489 9.4742 9.4742 9.5766 9.5766 k = 0.1102 0.1102-0.0000 ( 10717 PWs) bands (ev): -38.5966 -38.5966 -38.5918 -38.5918 -4.5529 -4.5529 -3.3577 -3.3577 2.2567 2.2567 3.8834 3.8834 4.1949 4.1949 4.5230 4.5230 4.8540 4.8540 5.4331 5.4331 5.4762 5.4762 6.5874 6.5874 7.0481 7.0481 7.1379 7.1379 7.6434 7.6434 7.7969 7.7969 8.5729 8.5729 9.0337 9.0337 9.5354 9.5354 9.6581 9.6581 k = 0.1017 0.1017-0.0000 ( 10719 PWs) bands (ev): -38.5967 -38.5967 -38.5918 -38.5918 -4.5763 -4.5763 -3.3652 -3.3652 2.2261 2.2261 3.8744 3.8744 4.2335 4.2335 4.5187 4.5187 4.9339 4.9339 5.4426 5.4426 5.4652 5.4652 6.5800 6.5800 7.0418 7.0418 7.1989 7.1989 7.6610 7.6610 7.8154 7.8154 8.5747 8.5747 9.0132 9.0132 9.5975 9.5975 9.7390 9.7390 k = 0.0932 0.0932-0.0000 ( 10711 PWs) bands (ev): -38.5967 -38.5967 -38.5917 -38.5917 -4.5978 -4.5978 -3.3722 -3.3722 2.1979 2.1979 3.8661 3.8661 4.2698 4.2698 4.5147 4.5147 5.0111 5.0111 5.4406 5.4406 5.4661 5.4661 6.5730 6.5730 7.0340 7.0340 7.2600 7.2600 7.6768 7.6768 7.8328 7.8328 8.5765 8.5765 8.9876 8.9876 9.6605 9.6605 9.8189 9.8189 k = 0.0847 0.0847-0.0000 ( 10703 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.6176 -4.6176 -3.3785 -3.3785 2.1720 2.1720 3.8584 3.8584 4.3037 4.3037 4.5111 4.5111 5.0847 5.0847 5.4302 5.4302 5.4758 5.4758 6.5663 6.5663 7.0249 7.0249 7.3208 7.3208 7.6907 7.6907 7.8490 7.8490 8.5785 8.5785 8.9576 8.9576 9.7246 9.7246 9.8969 9.8969 k = 0.0763 0.0763-0.0000 ( 10701 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.6356 -4.6356 -3.3843 -3.3843 2.1485 2.1485 3.8514 3.8514 4.3349 4.3349 4.5081 4.5081 5.1542 5.1542 5.4190 5.4190 5.4870 5.4870 6.5602 6.5602 7.0149 7.0149 7.3809 7.3809 7.7026 7.7026 7.8639 7.8639 8.5805 8.5805 8.9238 8.9238 9.7899 9.7899 9.9725 9.9725 k = 0.0678 0.0678-0.0000 ( 10703 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.6517 -4.6517 -3.3896 -3.3896 2.1275 2.1275 3.8451 3.8451 4.3631 4.3631 4.5056 4.5056 5.2186 5.2186 5.4084 5.4084 5.4985 5.4985 6.5545 6.5545 7.0042 7.0042 7.4397 7.4397 7.7126 7.7126 7.8775 7.8775 8.5827 8.5827 8.8872 8.8872 9.8563 9.8563 10.0448 10.0448 k = 0.0593 0.0593-0.0000 ( 10715 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.6660 -4.6660 -3.3942 -3.3942 2.1089 2.1089 3.8394 3.8394 4.3880 4.3880 4.5039 4.5039 5.2769 5.2769 5.3988 5.3988 5.5101 5.5101 6.5495 6.5495 6.9933 6.9933 7.4964 7.4964 7.7209 7.7209 7.8897 7.8897 8.5847 8.5847 8.8487 8.8487 9.9238 9.9238 10.1128 10.1128 k = 0.0508 0.0508-0.0000 ( 10719 PWs) bands (ev): -38.5969 -38.5969 -38.5916 -38.5916 -4.6784 -4.6784 -3.3983 -3.3983 2.0928 2.0928 3.8345 3.8345 4.4092 4.4092 4.5031 4.5031 5.3279 5.3279 5.3903 5.3903 5.5222 5.5222 6.5451 6.5451 6.9824 6.9824 7.5499 7.5499 7.7278 7.7278 7.9006 7.9006 8.5867 8.5867 8.8098 8.8098 9.9924 9.9924 10.1757 10.1757 k = 0.0424 0.0424-0.0000 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6889 -4.6889 -3.4017 -3.4017 2.0791 2.0791 3.8304 3.8304 4.4264 4.4264 4.5035 4.5035 5.3693 5.3693 5.3842 5.3842 5.5350 5.5350 6.5413 6.5413 6.9720 6.9720 7.5990 7.5990 7.7336 7.7336 7.9100 7.9100 8.5884 8.5884 8.7717 8.7717 10.0616 10.0616 10.2324 10.2324 k = 0.0339 0.0339-0.0000 ( 10707 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6975 -4.6975 -3.4045 -3.4045 2.0679 2.0679 3.8269 3.8269 4.4394 4.4394 4.5051 4.5051 5.3755 5.3755 5.4052 5.4052 5.5486 5.5486 6.5382 6.5382 6.9626 6.9626 7.6419 7.6419 7.7389 7.7389 7.9179 7.9179 8.5898 8.5898 8.7364 8.7364 10.1305 10.1305 10.2824 10.2824 k = 0.0254 0.0254-0.0000 ( 10709 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7043 -4.7043 -3.4067 -3.4067 2.0592 2.0592 3.8243 3.8243 4.4482 4.4482 4.5077 4.5077 5.3709 5.3709 5.4290 5.4290 5.5621 5.5621 6.5358 6.5358 6.9546 6.9546 7.6763 7.6763 7.7447 7.7447 7.9243 7.9243 8.5907 8.5907 8.7059 8.7059 10.1968 10.1968 10.3257 10.3257 k = 0.0169 0.0169-0.0000 ( 10709 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7091 -4.7091 -3.4083 -3.4083 2.0530 2.0530 3.8223 3.8223 4.4537 4.4537 4.5106 4.5106 5.3675 5.3675 5.4446 5.4446 5.5738 5.5738 6.5341 6.5341 6.9485 6.9485 7.6995 7.6995 7.7517 7.7517 7.9290 7.9290 8.5911 8.5911 8.6823 8.6823 10.2554 10.2554 10.3640 10.3640 k = 0.0085 0.0085-0.0000 ( 10705 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7120 -4.7120 -3.4092 -3.4092 2.0493 2.0493 3.8212 3.8212 4.4565 4.4565 4.5127 4.5127 5.3654 5.3654 5.4532 5.4532 5.5818 5.5818 6.5331 6.5331 6.9447 6.9447 7.7113 7.7113 7.7588 7.7588 7.9320 7.9320 8.5911 8.5911 8.6674 8.6674 10.2959 10.2959 10.3990 10.3990 k = 0.0000 0.0000 0.0000 ( 10715 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7129 -4.7129 -3.4096 -3.4096 2.0480 2.0480 3.8208 3.8208 4.4574 4.4574 4.5135 4.5135 5.3647 5.3647 5.4560 5.4560 5.5847 5.5847 6.5328 6.5328 6.9434 6.9434 7.7147 7.7147 7.7619 7.7619 7.9330 7.9330 8.5910 8.5910 8.6623 8.6623 10.3099 10.3099 10.4173 10.4173 k = 0.0000 0.0000 0.0000 ( 10715 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7129 -4.7129 -3.4096 -3.4096 2.0480 2.0480 3.8208 3.8208 4.4574 4.4574 4.5135 4.5135 5.3647 5.3647 5.4560 5.4560 5.5847 5.5847 6.5328 6.5328 6.9434 6.9434 7.7147 7.7147 7.7619 7.7619 7.9330 7.9330 8.5910 8.5910 8.6623 8.6623 10.3099 10.3099 10.4173 10.4173 k = 0.0000 0.0000 0.0119 ( 10703 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7123 -4.7123 -3.4108 -3.4108 2.0507 2.0507 3.8201 3.8201 4.4567 4.4567 4.5129 4.5129 5.3647 5.3647 5.4571 5.4571 5.5858 5.5858 6.5327 6.5327 6.9436 6.9436 7.7151 7.7151 7.7623 7.7623 7.9330 7.9330 8.5903 8.5903 8.6549 8.6549 10.3057 10.3057 10.4130 10.4130 k = 0.0000 0.0000 0.0239 ( 10687 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7104 -4.7104 -3.4145 -3.4145 2.0588 2.0588 3.8180 3.8180 4.4548 4.4548 4.5111 4.5111 5.3647 5.3647 5.4605 5.4605 5.5891 5.5891 6.5327 6.5327 6.9441 6.9441 7.7163 7.7163 7.7634 7.7634 7.9331 7.9331 8.5871 8.5871 8.6342 8.6342 10.2935 10.2935 10.4003 10.4003 k = 0.0000 0.0000 0.0358 ( 10695 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7074 -4.7074 -3.4207 -3.4207 2.0722 2.0722 3.8145 3.8145 4.4516 4.4516 4.5081 4.5081 5.3647 5.3647 5.4660 5.4660 5.5946 5.5946 6.5326 6.5326 6.9450 6.9450 7.7183 7.7183 7.7654 7.7654 7.9332 7.9332 8.5720 8.5720 8.6107 8.6107 10.2738 10.2738 10.3796 10.3796 k = 0.0000 0.0000 0.0477 ( 10699 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.7031 -4.7031 -3.4292 -3.4292 2.0908 2.0908 3.8095 3.8095 4.4472 4.4472 4.5040 4.5040 5.3648 5.3648 5.4736 5.4736 5.6021 5.6021 6.5324 6.5324 6.9463 6.9463 7.7211 7.7211 7.7681 7.7681 7.9334 7.9334 8.5298 8.5298 8.6016 8.6016 10.2472 10.2472 10.3515 10.3515 k = 0.0000 0.0000 0.0597 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6977 -4.6977 -3.4400 -3.4400 2.1145 2.1145 3.8030 3.8030 4.4418 4.4418 4.4989 4.4989 5.3648 5.3648 5.4830 5.4830 5.6114 5.6114 6.5322 6.5322 6.9479 6.9479 7.7247 7.7247 7.7715 7.7715 7.9336 7.9336 8.4704 8.4704 8.5991 8.5991 10.2145 10.2145 10.3167 10.3167 k = 0.0000 0.0000 0.0716 ( 10719 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6911 -4.6911 -3.4529 -3.4529 2.1430 2.1430 3.7950 3.7950 4.4355 4.4355 4.4929 4.4929 5.3649 5.3649 5.4942 5.4942 5.6224 5.6224 6.5320 6.5320 6.9498 6.9498 7.7291 7.7291 7.7757 7.7757 7.9339 7.9339 8.4009 8.4009 8.5981 8.5981 10.1766 10.1766 10.2763 10.2763 k = 0.0000 0.0000 0.0835 ( 10715 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6834 -4.6834 -3.4677 -3.4677 2.1763 2.1763 3.7853 3.7853 4.4284 4.4284 4.4862 4.4862 5.3649 5.3649 5.5068 5.5068 5.6350 5.6350 6.5318 6.5318 6.9519 6.9519 7.7342 7.7342 7.7806 7.7806 7.9342 7.9342 8.3245 8.3245 8.5976 8.5976 10.1342 10.1342 10.2311 10.2311 k = 0.0000 0.0000 0.0955 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6747 -4.6747 -3.4843 -3.4843 2.2139 2.2139 3.7740 3.7740 4.4207 4.4207 4.4789 4.4789 5.3650 5.3650 5.5207 5.5207 5.6488 5.6488 6.5315 6.5315 6.9543 6.9543 7.7400 7.7400 7.7862 7.7862 7.9346 7.9346 8.2432 8.2432 8.5973 8.5973 10.0883 10.0883 10.1822 10.1822 k = 0.0000 0.0000 0.1074 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6650 -4.6650 -3.5025 -3.5025 2.2557 2.2557 3.7609 3.7609 4.4125 4.4125 4.4711 4.4711 5.3650 5.3650 5.5356 5.5356 5.6636 5.6636 6.5312 6.5312 6.9569 6.9569 7.7464 7.7464 7.7924 7.7924 7.9351 7.9351 8.1589 8.1589 8.5970 8.5970 10.0396 10.0396 10.1303 10.1303 k = 0.0000 0.0000 0.1193 ( 10715 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6545 -4.6545 -3.5220 -3.5220 2.3013 2.3013 3.7459 3.7459 4.4041 4.4041 4.4631 4.4631 5.3651 5.3651 5.5512 5.5512 5.6792 5.6792 6.5308 6.5308 6.9597 6.9597 7.7534 7.7534 7.7991 7.7991 7.9357 7.9357 8.0731 8.0731 8.5969 8.5969 9.9891 9.9891 10.0766 10.0766 k = 0.0000 0.0000 0.1313 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6431 -4.6431 -3.5425 -3.5425 2.3504 2.3504 3.7290 3.7290 4.3955 4.3955 4.4549 4.4549 5.3651 5.3651 5.5673 5.5673 5.6953 5.6953 6.5304 6.5304 6.9626 6.9626 7.7608 7.7608 7.8064 7.8064 7.9365 7.9365 7.9872 7.9872 8.5968 8.5968 9.9374 9.9374 10.0218 10.0218 k = 0.0000 0.0000 0.1432 ( 10711 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6312 -4.6312 -3.5639 -3.5639 2.4026 2.4026 3.7099 3.7099 4.3869 4.3869 4.4467 4.4467 5.3652 5.3652 5.5836 5.5836 5.7117 5.7117 6.5301 6.5301 6.9656 6.9656 7.7681 7.7681 7.8141 7.8141 7.9029 7.9029 7.9374 7.9374 8.5967 8.5967 9.8853 9.8853 9.9667 9.9667 k = 0.0000 0.0000 0.1551 ( 10743 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6186 -4.6186 -3.5858 -3.5858 2.4575 2.4575 3.6887 3.6887 4.3784 4.3784 4.4386 4.4386 5.3652 5.3652 5.5999 5.5999 5.7280 5.7280 6.5296 6.5296 6.9686 6.9686 7.7716 7.7716 7.8220 7.8220 7.8247 7.8247 7.9385 7.9385 8.5966 8.5966 9.8337 9.8337 9.9122 9.9122 k = 0.0000 0.0000 0.1671 ( 10734 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.6057 -4.6057 -3.6080 -3.6080 2.5148 2.5148 3.6652 3.6652 4.3702 4.3702 4.4307 4.4307 5.3653 5.3653 5.6159 5.6159 5.7441 5.7441 6.5292 6.5292 6.9716 6.9716 7.7297 7.7297 7.7952 7.7952 7.8301 7.8301 7.9398 7.9398 8.5965 8.5965 9.7831 9.7831 9.8588 9.8588 k = 0.0000 0.0000 0.1790 ( 10730 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5926 -4.5926 -3.6301 -3.6301 2.5739 2.5739 3.6393 3.6393 4.3623 4.3623 4.4232 4.4232 5.3653 5.3653 5.6314 5.6314 5.7598 5.7598 6.5287 6.5287 6.9746 6.9746 7.6565 7.6565 7.8010 7.8010 7.8382 7.8382 7.9414 7.9414 8.5964 8.5964 9.7342 9.7342 9.8073 9.8073 k = 0.0000 0.0000 0.1909 ( 10726 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5795 -4.5795 -3.6517 -3.6517 2.6344 2.6344 3.6109 3.6109 4.3550 4.3550 4.4161 4.4161 5.3653 5.3653 5.6462 5.6462 5.7747 5.7747 6.5283 6.5283 6.9774 6.9774 7.5852 7.5852 7.8095 7.8095 7.8460 7.8460 7.9433 7.9433 8.5964 8.5964 9.6876 9.6876 9.7584 9.7584 k = 0.0000 0.0000 0.2029 ( 10726 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5666 -4.5666 -3.6726 -3.6726 2.6959 2.6959 3.5800 3.5800 4.3481 4.3481 4.4096 4.4096 5.3654 5.3654 5.6600 5.6600 5.7887 5.7887 6.5278 6.5278 6.9801 6.9801 7.5187 7.5187 7.8184 7.8184 7.8534 7.8534 7.9454 7.9454 8.5963 8.5963 9.6440 9.6440 9.7125 9.7125 k = 0.0000 0.0000 0.2148 ( 10706 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5542 -4.5542 -3.6923 -3.6923 2.7577 2.7577 3.5466 3.5466 4.3419 4.3419 4.4036 4.4036 5.3654 5.3654 5.6727 5.6727 5.8015 5.8015 6.5273 6.5273 6.9826 6.9826 7.4582 7.4582 7.8271 7.8271 7.8602 7.8602 7.9479 7.9479 8.5963 8.5963 9.6039 9.6039 9.6704 9.6704 k = 0.0000 0.0000 0.2267 ( 10694 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5426 -4.5426 -3.7105 -3.7105 2.8193 2.8193 3.5109 3.5109 4.3364 4.3364 4.3983 4.3983 5.3654 5.3654 5.6841 5.6841 5.8130 5.8130 6.5269 6.5269 6.9848 6.9848 7.4043 7.4043 7.8354 7.8354 7.8662 7.8662 7.9506 7.9506 8.5962 8.5962 9.5679 9.5679 9.6326 9.6326 k = 0.0000 0.0000 0.2387 ( 10706 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5321 -4.5321 -3.7267 -3.7267 2.8799 2.8799 3.4730 3.4730 4.3317 4.3317 4.3937 4.3937 5.3655 5.3655 5.6940 5.6940 5.8231 5.8231 6.5264 6.5264 6.9868 6.9868 7.3576 7.3576 7.8430 7.8430 7.8713 7.8713 7.9533 7.9533 8.5961 8.5961 9.5365 9.5365 9.5996 9.5996 k = 0.0000 0.0000 0.2506 ( 10714 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5229 -4.5229 -3.7407 -3.7407 2.9385 2.9385 3.4336 3.4336 4.3277 4.3277 4.3899 4.3899 5.3655 5.3655 5.7023 5.7023 5.8315 5.8315 6.5260 6.5260 6.9884 6.9884 7.3187 7.3187 7.8495 7.8495 7.8755 7.8755 7.9561 7.9561 8.5961 8.5961 9.5100 9.5100 9.5719 9.5719 k = 0.0000 0.0000 0.2625 ( 10706 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5153 -4.5153 -3.7520 -3.7520 2.9937 2.9937 3.3937 3.3937 4.3246 4.3246 4.3869 4.3869 5.3655 5.3655 5.7089 5.7089 5.8382 5.8382 6.5257 6.5257 6.9898 6.9898 7.2880 7.2880 7.8549 7.8549 7.8787 7.8787 7.9585 7.9585 8.5961 8.5961 9.4890 9.4890 9.5498 9.5498 k = 0.0000 0.0000 0.2745 ( 10702 PWs) bands (ev): -38.5970 -38.5970 -38.5916 -38.5916 -4.5098 -4.5098 -3.7603 -3.7603 3.0427 3.0427 3.3559 3.3559 4.3223 4.3223 4.3847 4.3847 5.3655 5.3655 5.7136 5.7136 5.8430 5.8430 6.5254 6.5254 6.9907 6.9907 7.2659 7.2659 7.8589 7.8589 7.8809 7.8809 7.9604 7.9604 8.5960 8.5960 9.4737 9.4737 9.5338 9.5338 k = 0.0000 0.0000 0.2864 ( 10750 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5063 -4.5063 -3.7654 -3.7654 3.0797 3.0797 3.3257 3.3257 4.3210 4.3210 4.3834 4.3834 5.3655 5.3655 5.7165 5.7165 5.8459 5.8459 6.5253 6.5253 6.9913 6.9913 7.2525 7.2525 7.8614 7.8614 7.8822 7.8822 7.9617 7.9617 8.5960 8.5960 9.4644 9.4644 9.5241 9.5241 k = 0.0000 0.0000 0.2983 ( 10766 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5051 -4.5051 -3.7671 -3.7671 3.0944 3.0944 3.3133 3.3133 4.3205 4.3205 4.3830 4.3830 5.3655 5.3655 5.7175 5.7175 5.8469 5.8469 6.5252 6.5252 6.9915 6.9915 7.2480 7.2480 7.8622 7.8622 7.8826 7.8826 7.9621 7.9621 8.5960 8.5960 9.4613 9.4613 9.5208 9.5208 k = 0.0000 0.0000 0.2983 ( 10766 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5051 -4.5051 -3.7671 -3.7671 3.0944 3.0944 3.3133 3.3133 4.3205 4.3205 4.3830 4.3830 5.3655 5.3655 5.7175 5.7175 5.8469 5.8469 6.5252 6.5252 6.9915 6.9915 7.2480 7.2480 7.8622 7.8622 7.8826 7.8826 7.9621 7.9621 8.5960 8.5960 9.4613 9.4613 9.5208 9.5208 k = 0.0000 0.0119 0.2983 ( 10728 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5042 -4.5042 -3.7666 -3.7666 3.0947 3.0947 3.3135 3.3135 4.3200 4.3200 4.3825 4.3825 5.3662 5.3662 5.7150 5.7150 5.8443 5.8443 6.5248 6.5248 6.9924 6.9924 7.2473 7.2473 7.8617 7.8617 7.8818 7.8818 7.9612 7.9612 8.5970 8.5970 9.4586 9.4586 9.5182 9.5182 k = 0.0000 0.0238 0.2983 ( 10710 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5015 -4.5015 -3.7651 -3.7651 3.0956 3.0956 3.3142 3.3142 4.3180 4.3180 4.3812 4.3812 5.3682 5.3682 5.7072 5.7072 5.8369 5.8369 6.5235 6.5235 6.9951 6.9951 7.2454 7.2454 7.8601 7.8601 7.8792 7.8792 7.9586 7.9586 8.5999 8.5999 9.4486 9.4486 9.5125 9.5125 k = 0.0000 0.0357 0.2983 ( 10706 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.4970 -4.4970 -3.7626 -3.7626 3.0970 3.0970 3.3153 3.3153 4.3142 4.3142 4.3797 4.3797 5.3716 5.3716 5.6930 5.6930 5.8261 5.8261 6.5209 6.5209 6.9998 6.9998 7.2420 7.2420 7.8572 7.8572 7.8754 7.8754 7.9543 7.9543 8.6046 8.6046 9.4279 9.4279 9.5081 9.5081 k = 0.0000 0.0476 0.2983 ( 10718 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4907 -4.4907 -3.7591 -3.7591 3.0989 3.0989 3.3167 3.3167 4.3076 4.3076 4.3792 4.3792 5.3763 5.3763 5.6712 5.6712 5.8138 5.8138 6.5167 6.5167 7.0068 7.0068 7.2374 7.2374 7.8523 7.8523 7.8707 7.8707 7.9485 7.9485 8.6113 8.6113 9.3960 9.3960 9.5073 9.5073 k = 0.0000 0.0595 0.2983 ( 10720 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4827 -4.4827 -3.7547 -3.7547 3.1012 3.1012 3.3181 3.3181 4.2977 4.2977 4.3802 4.3802 5.3824 5.3824 5.6407 5.6407 5.8016 5.8016 6.5105 6.5105 7.0163 7.0163 7.2313 7.2313 7.8447 7.8447 7.8661 7.8661 7.9416 7.9416 8.6197 8.6197 9.3551 9.3551 9.5094 9.5094 k = 0.0000 0.0714 0.2983 ( 10712 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4729 -4.4729 -3.7493 -3.7493 3.1038 3.1038 3.3194 3.3194 4.2846 4.2846 4.3832 4.3832 5.3898 5.3898 5.6014 5.6014 5.7901 5.7901 6.5021 6.5021 7.0282 7.0282 7.2239 7.2239 7.8344 7.8344 7.8615 7.8615 7.9339 7.9339 8.6299 8.6299 9.3082 9.3082 9.5136 9.5136 k = 0.0000 0.0833 0.2983 ( 10704 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4613 -4.4613 -3.7430 -3.7430 3.1066 3.1066 3.3203 3.3203 4.2687 4.2687 4.3882 4.3882 5.3985 5.3985 5.5542 5.5542 5.7796 5.7796 6.4916 6.4916 7.0425 7.0425 7.2151 7.2151 7.8213 7.8213 7.8565 7.8565 7.9262 7.9262 8.6418 8.6418 9.2573 9.2573 9.5195 9.5195 k = 0.0000 0.0952 0.2983 ( 10704 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.4481 -4.4481 -3.7358 -3.7358 3.1094 3.1094 3.3203 3.3203 4.2508 4.2508 4.3948 4.3948 5.4084 5.4084 5.5002 5.5002 5.7696 5.7696 6.4793 6.4793 7.0585 7.0585 7.2051 7.2051 7.8058 7.8058 7.8504 7.8504 7.9194 7.9194 8.6554 8.6554 9.2046 9.2046 9.5266 9.5266 k = 0.0000 0.1071 0.2983 ( 10704 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.4332 -4.4332 -3.7278 -3.7278 3.1121 3.1121 3.3192 3.3192 4.2315 4.2315 4.4029 4.4029 5.4179 5.4179 5.4424 5.4424 5.7597 5.7597 6.4653 6.4653 7.0754 7.0754 7.1943 7.1943 7.7881 7.7881 7.8420 7.8420 7.9148 7.9148 8.6706 8.6706 9.1515 9.1515 9.5349 9.5349 k = 0.0000 0.1190 0.2983 ( 10708 PWs) bands (ev): -38.5967 -38.5967 -38.5918 -38.5918 -4.4166 -4.4166 -3.7189 -3.7189 3.1143 3.1143 3.3163 3.3163 4.2117 4.2117 4.4124 4.4124 5.3741 5.3741 5.4346 5.4346 5.7497 5.7497 6.4504 6.4504 7.0916 7.0916 7.1838 7.1838 7.7683 7.7683 7.8308 7.8308 7.9132 7.9132 8.6874 8.6874 9.0993 9.0993 9.5443 9.5443 k = 0.0000 0.1310 0.2983 ( 10700 PWs) bands (ev): -38.5967 -38.5967 -38.5918 -38.5918 -4.3985 -4.3985 -3.7093 -3.7093 3.1160 3.1160 3.3112 3.3112 4.1923 4.1923 4.4231 4.4231 5.3067 5.3067 5.4483 5.4483 5.7394 5.7394 6.4348 6.4348 7.1036 7.1036 7.1760 7.1760 7.7467 7.7467 7.8165 7.8165 7.9153 7.9153 8.7057 8.7057 9.0490 9.0490 9.5545 9.5545 k = 0.0000 0.1429 0.2983 ( 10692 PWs) bands (ev): -38.5966 -38.5966 -38.5918 -38.5918 -4.3789 -4.3789 -3.6991 -3.6991 3.1167 3.1167 3.3031 3.3031 4.1741 4.1741 4.4349 4.4349 5.2366 5.2366 5.4637 5.4637 5.7285 5.7285 6.4191 6.4191 7.1061 7.1061 7.1760 7.1760 7.7232 7.7232 7.7994 7.7994 7.9212 7.9212 8.7255 8.7255 9.0014 9.0014 9.5657 9.5657 k = 0.0000 0.1548 0.2983 ( 10672 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.3578 -4.3578 -3.6882 -3.6882 3.1162 3.1162 3.2917 3.2917 4.1580 4.1580 4.4479 4.4479 5.1650 5.1650 5.4806 5.4806 5.7171 5.7171 6.4036 6.4036 7.0970 7.0970 7.1850 7.1850 7.6980 7.6980 7.7799 7.7799 7.9309 7.9309 8.7468 8.7468 8.9570 8.9570 9.5777 9.5777 k = 0.0000 0.1667 0.2983 ( 10674 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.3352 -4.3352 -3.6767 -3.6767 3.1140 3.1140 3.2763 3.2763 4.1447 4.1447 4.4618 4.4618 5.0931 5.0931 5.4989 5.4989 5.7051 5.7051 6.3887 6.3887 7.0804 7.0804 7.1985 7.1985 7.6711 7.6711 7.7583 7.7583 7.9444 7.9444 8.7694 8.7694 8.9165 8.9165 9.5904 9.5904 k = 0.0000 0.1786 0.2983 ( 10670 PWs) bands (ev): -38.5964 -38.5964 -38.5919 -38.5919 -4.3113 -4.3113 -3.6647 -3.6647 3.1099 3.1099 3.2565 3.2565 4.1349 4.1349 4.4767 4.4767 5.0220 5.0220 5.5184 5.5184 5.6924 5.6924 6.3746 6.3746 7.0598 7.0598 7.2124 7.2124 7.6427 7.6427 7.7350 7.7350 7.9618 7.9618 8.7932 8.7932 8.8802 8.8802 9.6038 9.6038 k = 0.0000 0.1905 0.2983 ( 10672 PWs) bands (ev): -38.5963 -38.5963 -38.5919 -38.5919 -4.2862 -4.2862 -3.6523 -3.6523 3.1033 3.1033 3.2322 3.2322 4.1291 4.1291 4.4924 4.4924 4.9527 4.9527 5.5393 5.5393 5.6791 5.6791 6.3616 6.3616 7.0366 7.0366 7.2251 7.2251 7.6128 7.6128 7.7100 7.7100 7.9833 7.9833 8.8165 8.8165 8.8501 8.8501 9.6178 9.6178 k = 0.0000 0.2024 0.2983 ( 10676 PWs) bands (ev): -38.5963 -38.5963 -38.5919 -38.5919 -4.2598 -4.2598 -3.6396 -3.6396 3.0940 3.0940 3.2033 3.2033 4.1275 4.1275 4.5090 4.5090 4.8861 4.8861 5.5612 5.5612 5.6652 5.6652 6.3497 6.3497 7.0116 7.0116 7.2355 7.2355 7.5815 7.5815 7.6837 7.6837 8.0088 8.0088 8.8141 8.8141 8.8511 8.8511 9.6323 9.6323 k = 0.0000 0.2143 0.2983 ( 10674 PWs) bands (ev): -38.5962 -38.5962 -38.5920 -38.5920 -4.2322 -4.2322 -3.6267 -3.6267 3.0813 3.0813 3.1701 3.1701 4.1301 4.1301 4.5264 4.5264 4.8231 4.8231 5.5838 5.5838 5.6513 5.6513 6.3392 6.3392 6.9852 6.9852 7.2433 7.2433 7.5488 7.5488 7.6560 7.6560 8.0384 8.0384 8.7918 8.7918 8.8776 8.8776 9.6472 9.6472 k = 0.0000 0.2262 0.2983 ( 10682 PWs) bands (ev): -38.5961 -38.5961 -38.5920 -38.5920 -4.2037 -4.2037 -3.6136 -3.6136 3.0651 3.0651 3.1328 3.1328 4.1369 4.1369 4.5446 4.5446 4.7647 4.7647 5.6043 5.6043 5.6400 5.6400 6.3301 6.3301 6.9579 6.9579 7.2481 7.2481 7.5148 7.5148 7.6271 7.6271 8.0718 8.0718 8.7720 8.7720 8.9071 8.9071 9.6624 9.6624 k = 0.0000 0.2381 0.2983 ( 10682 PWs) bands (ev): -38.5960 -38.5960 -38.5921 -38.5921 -4.1742 -4.1742 -3.6005 -3.6005 3.0449 3.0449 3.0921 3.0921 4.1474 4.1474 4.5632 4.5632 4.7117 4.7117 5.6078 5.6078 5.6463 5.6463 6.3225 6.3225 6.9298 6.9298 7.2499 7.2499 7.4795 7.4795 7.5972 7.5972 8.1089 8.1089 8.7558 8.7558 8.9381 8.9381 9.6779 9.6779 k = 0.0000 0.2500 0.2983 ( 10676 PWs) bands (ev): -38.5959 -38.5959 -38.5921 -38.5921 -4.1439 -4.1439 -3.5874 -3.5874 3.0205 3.0205 3.0487 3.0487 4.1615 4.1615 4.5821 4.5821 4.6648 4.6648 5.5944 5.5944 5.6701 5.6701 6.3165 6.3165 6.9014 6.9014 7.2488 7.2488 7.4432 7.4432 7.5663 7.5663 8.1494 8.1494 8.7432 8.7432 8.9706 8.9706 9.6933 9.6933 k = 0.0000 0.2619 0.2983 ( 10668 PWs) bands (ev): -38.5958 -38.5958 -38.5922 -38.5922 -4.1128 -4.1128 -3.5746 -3.5746 2.9908 2.9908 3.0042 3.0042 4.1785 4.1785 4.5974 4.5974 4.6282 4.6282 5.5773 5.5773 5.6981 5.6981 6.3121 6.3121 6.8728 6.8728 7.2449 7.2449 7.4057 7.4057 7.5345 7.5345 8.1929 8.1929 8.7342 8.7342 9.0042 9.0042 9.7088 9.7088 k = 0.0000 0.2738 0.2983 ( 10664 PWs) bands (ev): -38.5957 -38.5957 -38.5922 -38.5922 -4.0811 -4.0811 -3.5620 -3.5620 2.9508 2.9508 2.9644 2.9644 4.1981 4.1981 4.5817 4.5817 4.6296 4.6296 5.5589 5.5589 5.7279 5.7279 6.3092 6.3092 6.8444 6.8444 7.2384 7.2384 7.3672 7.3672 7.5019 7.5019 8.2390 8.2390 8.7285 8.7285 9.0391 9.0391 9.7240 9.7240 k = 0.0000 0.2857 0.2983 ( 10664 PWs) bands (ev): -38.5956 -38.5956 -38.5923 -38.5923 -4.0489 -4.0489 -3.5499 -3.5499 2.9033 2.9033 2.9275 2.9275 4.2197 4.2197 4.5544 4.5544 4.6492 4.6492 5.5395 5.5395 5.7593 5.7593 6.3080 6.3080 6.8164 6.8164 7.2294 7.2294 7.3278 7.3278 7.4687 7.4687 8.2872 8.2872 8.7260 8.7260 9.0750 9.0750 9.7388 9.7388 k = 0.0000 0.2976 0.2983 ( 10656 PWs) bands (ev): -38.5955 -38.5955 -38.5923 -38.5923 -4.0164 -4.0164 -3.5384 -3.5384 2.8543 2.8543 2.8885 2.8885 4.2430 4.2430 4.5316 4.5316 4.6709 4.6709 5.5193 5.5193 5.7920 5.7920 6.3085 6.3085 6.7890 6.7890 7.2181 7.2181 7.2878 7.2878 7.4350 7.4350 8.3373 8.3373 8.7265 8.7265 9.1118 9.1118 9.7531 9.7531 k = 0.0000 0.3095 0.2983 ( 10668 PWs) bands (ev): -38.5954 -38.5954 -38.5924 -38.5924 -3.9836 -3.9836 -3.5275 -3.5275 2.8051 2.8051 2.8472 2.8472 4.2674 4.2674 4.5141 4.5141 4.6934 4.6934 5.4983 5.4983 5.8260 5.8260 6.3105 6.3105 6.7626 6.7626 7.2041 7.2041 7.2476 7.2476 7.4009 7.4009 8.3886 8.3886 8.7297 8.7297 9.1495 9.1495 9.7667 9.7667 k = 0.0000 0.3214 0.2983 ( 10662 PWs) bands (ev): -38.5953 -38.5953 -38.5925 -38.5925 -3.9507 -3.9507 -3.5175 -3.5175 2.7564 2.7564 2.8040 2.8040 4.2926 4.2926 4.5016 4.5016 4.7165 4.7165 5.4767 5.4767 5.8612 5.8612 6.3142 6.3142 6.7371 6.7371 7.1852 7.1852 7.2099 7.2099 7.3665 7.3665 8.4408 8.4408 8.7355 8.7355 9.1880 9.1880 9.7793 9.7793 k = 0.0000 0.3333 0.2983 ( 10664 PWs) bands (ev): -38.5952 -38.5952 -38.5925 -38.5925 -3.9178 -3.9178 -3.5084 -3.5084 2.7087 2.7087 2.7597 2.7597 4.3181 4.3181 4.4936 4.4936 4.7401 4.7401 5.4545 5.4545 5.8974 5.8974 6.3195 6.3195 6.7129 6.7129 7.1534 7.1534 7.1829 7.1829 7.3321 7.3321 8.4933 8.4933 8.7436 8.7436 9.2270 9.2270 9.7909 9.7909 k = 0.0000 0.3452 0.2983 ( 10660 PWs) bands (ev): -38.5951 -38.5951 -38.5926 -38.5926 -3.8851 -3.8851 -3.5004 -3.5004 2.6624 2.6624 2.7150 2.7150 4.3436 4.3436 4.4896 4.4896 4.7641 4.7641 5.4317 5.4317 5.9348 5.9348 6.3262 6.3262 6.6901 6.6901 7.1124 7.1124 7.1633 7.1633 7.2978 7.2978 8.5457 8.5457 8.7538 8.7538 9.2665 9.2665 9.8010 9.8010 k = 0.0000 0.3571 0.2983 ( 10658 PWs) bands (ev): -38.5950 -38.5950 -38.5927 -38.5927 -3.8528 -3.8528 -3.4936 -3.4936 2.6181 2.6181 2.6705 2.6705 4.3686 4.3686 4.4888 4.4888 4.7886 4.7886 5.4084 5.4084 5.9732 5.9732 6.3345 6.3345 6.6687 6.6687 7.0690 7.0690 7.1447 7.1447 7.2639 7.2639 8.5974 8.5974 8.7660 8.7660 9.3062 9.3062 9.8097 9.8097 k = 0.0000 0.3690 0.2983 ( 10670 PWs) bands (ev): -38.5949 -38.5949 -38.5927 -38.5927 -3.8210 -3.8210 -3.4882 -3.4882 2.5760 2.5760 2.6270 2.6270 4.3930 4.3930 4.4906 4.4906 4.8135 4.8135 5.3846 5.3846 6.0126 6.0126 6.3442 6.3442 6.6488 6.6488 7.0246 7.0246 7.1260 7.1260 7.2306 7.2306 8.6477 8.6477 8.7799 8.7799 9.3460 9.3460 9.8165 9.8165 k = 0.0000 0.3810 0.2983 ( 10666 PWs) bands (ev): -38.5948 -38.5948 -38.5928 -38.5928 -3.7898 -3.7898 -3.4842 -3.4842 2.5366 2.5366 2.5850 2.5850 4.4162 4.4162 4.4946 4.4946 4.8386 4.8386 5.3603 5.3603 6.0528 6.0528 6.3552 6.3552 6.6305 6.6305 6.9795 6.9795 7.1071 7.1071 7.1981 7.1981 8.6962 8.6962 8.7952 8.7952 9.3857 9.3857 9.8213 9.8213 k = 0.0000 0.3929 0.2983 ( 10662 PWs) bands (ev): -38.5947 -38.5947 -38.5929 -38.5929 -3.7594 -3.7594 -3.4819 -3.4819 2.5001 2.5001 2.5452 2.5452 4.4381 4.4381 4.5001 4.5001 4.8641 4.8641 5.3356 5.3356 6.0939 6.0939 6.3674 6.3674 6.6137 6.6137 6.9340 6.9340 7.0884 7.0884 7.1667 7.1667 8.7420 8.7420 8.8118 8.8118 9.4251 9.4251 9.8240 9.8240 k = 0.0000 0.4048 0.2983 ( 10664 PWs) bands (ev): -38.5946 -38.5946 -38.5930 -38.5930 -3.7299 -3.7299 -3.4812 -3.4812 2.4669 2.4669 2.5079 2.5079 4.4584 4.4584 4.5067 4.5067 4.8899 4.8899 5.3106 5.3106 6.1356 6.1356 6.3807 6.3807 6.5983 6.5983 6.8881 6.8881 7.0702 7.0702 7.1369 7.1369 8.7844 8.7844 8.8292 8.8292 9.4639 9.4639 9.8242 9.8242 k = 0.0000 0.4167 0.2983 ( 10682 PWs) bands (ev): -38.5945 -38.5945 -38.5931 -38.5931 -3.7016 -3.7016 -3.4824 -3.4824 2.4373 2.4373 2.4738 2.4738 4.4767 4.4767 4.5137 4.5137 4.9158 4.9158 5.2852 5.2852 6.1780 6.1780 6.3950 6.3950 6.5841 6.5841 6.8421 6.8421 7.0528 7.0528 7.1088 7.1088 8.8226 8.8226 8.8473 8.8473 9.5019 9.5019 9.8218 9.8218 k = 0.0000 0.4286 0.2983 ( 10688 PWs) bands (ev): -38.5944 -38.5944 -38.5932 -38.5932 -3.6745 -3.6745 -3.4854 -3.4854 2.4114 2.4114 2.4431 2.4431 4.4931 4.4931 4.5208 4.5208 4.9420 4.9420 5.2595 5.2595 6.2209 6.2209 6.4099 6.4099 6.5709 6.5709 6.7960 6.7960 7.0368 7.0368 7.0830 7.0830 8.8553 8.8553 8.8662 8.8662 9.5388 9.5388 9.8167 9.8167 k = 0.0000 0.4405 0.2983 ( 10676 PWs) bands (ev): -38.5942 -38.5942 -38.5932 -38.5932 -3.6488 -3.6488 -3.4903 -3.4903 2.3895 2.3895 2.4161 2.4161 4.5072 4.5072 4.5275 4.5275 4.9683 4.9683 5.2335 5.2335 6.2640 6.2640 6.4254 6.4254 6.5585 6.5585 6.7500 6.7500 7.0225 7.0225 7.0597 7.0597 8.8795 8.8795 8.8880 8.8880 9.5745 9.5745 9.8087 9.8087 k = 0.0000 0.4524 0.2983 ( 10684 PWs) bands (ev): -38.5941 -38.5941 -38.5933 -38.5933 -3.6246 -3.6246 -3.4973 -3.4973 2.3719 2.3719 2.3933 2.3933 4.5190 4.5190 4.5334 4.5334 4.9948 4.9948 5.2074 5.2074 6.3071 6.3071 6.4410 6.4410 6.5466 6.5466 6.7046 6.7046 7.0104 7.0104 7.0394 7.0394 8.8972 8.8972 8.9093 8.9093 9.6086 9.6086 9.7977 9.7977 k = 0.0000 0.4643 0.2983 ( 10700 PWs) bands (ev): -38.5940 -38.5940 -38.5934 -38.5934 -3.6021 -3.6021 -3.5062 -3.5062 2.3586 2.3586 2.3746 2.3746 4.5284 4.5284 4.5382 4.5382 5.0214 5.0214 5.1811 5.1811 6.3495 6.3495 6.4562 6.4562 6.5354 6.5354 6.6600 6.6600 7.0011 7.0011 7.0224 7.0224 8.9123 8.9123 8.9255 8.9255 9.6408 9.6408 9.7838 9.7838 k = 0.0000 0.4762 0.2983 ( 10694 PWs) bands (ev): -38.5939 -38.5939 -38.5935 -38.5935 -3.5813 -3.5813 -3.5172 -3.5172 2.3497 2.3497 2.3605 2.3605 4.5355 4.5355 4.5415 4.5415 5.0480 5.0480 5.1546 5.1546 6.3902 6.3902 6.4686 6.4686 6.5267 6.5267 6.6173 6.6173 6.9951 6.9951 7.0091 7.0091 8.9249 8.9249 8.9359 8.9359 9.6710 9.6710 9.7669 9.7669 k = 0.0000 0.4881 0.2983 ( 10706 PWs) bands (ev): -38.5938 -38.5938 -38.5936 -38.5936 -3.5624 -3.5624 -3.5303 -3.5303 2.3455 2.3455 2.3508 2.3508 4.5402 4.5402 4.5431 4.5431 5.0747 5.0747 5.1280 5.1280 6.4269 6.4269 6.4708 6.4708 6.5281 6.5281 6.5783 6.5783 6.9927 6.9927 6.9996 6.9996 8.9343 8.9343 8.9405 8.9405 9.6989 9.6989 9.7470 9.7470 k = 0.0000 0.5000 0.2983 ( 10708 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5453 -3.5453 -3.5453 -3.5453 2.3458 2.3458 2.3458 2.3458 4.5427 4.5427 4.5427 4.5427 5.1014 5.1014 5.1014 5.1014 6.4556 6.4556 6.4556 6.4556 6.5467 6.5467 6.5467 6.5467 6.9941 6.9941 6.9941 6.9941 8.9397 8.9397 8.9397 8.9397 9.7243 9.7243 9.7243 9.7243 k = 0.0000 0.5000 0.2983 ( 10708 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5453 -3.5453 -3.5453 -3.5453 2.3458 2.3458 2.3458 2.3458 4.5427 4.5427 4.5427 4.5427 5.1014 5.1014 5.1014 5.1014 6.4556 6.4556 6.4556 6.4556 6.5467 6.5467 6.5467 6.5467 6.9941 6.9941 6.9941 6.9941 8.9397 8.9397 8.9397 8.9397 9.7243 9.7243 9.7243 9.7243 k = 0.0119 0.5000 0.2983 ( 10716 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5447 -3.5447 -3.5445 -3.5445 2.3463 2.3463 2.3469 2.3469 4.5392 4.5392 4.5449 4.5449 5.0985 5.0985 5.1023 5.1023 6.4422 6.4422 6.4641 6.4641 6.5349 6.5349 6.5605 6.5605 6.9944 6.9944 6.9962 6.9962 8.9321 8.9321 8.9351 8.9351 9.7189 9.7189 9.7205 9.7205 k = 0.0238 0.5000 0.2983 ( 10704 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5425 -3.5425 -3.5422 -3.5422 2.3483 2.3483 2.3496 2.3496 4.5344 4.5344 4.5457 4.5457 5.0936 5.0936 5.1013 5.1013 6.4258 6.4258 6.4639 6.4639 6.5287 6.5287 6.5742 6.5742 6.9971 6.9971 7.0005 7.0005 8.9125 8.9125 8.9181 8.9181 9.7050 9.7050 9.7080 9.7080 k = 0.0357 0.5000 0.2983 ( 10696 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5389 -3.5389 -3.5384 -3.5384 2.3518 2.3518 2.3538 2.3538 4.5281 4.5281 4.5451 4.5451 5.0869 5.0869 5.0986 5.0986 6.4074 6.4074 6.4535 6.4535 6.5300 6.5300 6.5867 6.5867 7.0021 7.0021 7.0069 7.0069 8.8814 8.8814 8.8892 8.8892 9.6848 9.6848 9.6887 9.6887 k = 0.0476 0.5000 0.2983 ( 10688 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5338 -3.5338 -3.5332 -3.5332 2.3568 2.3568 2.3596 2.3596 4.5203 4.5203 4.5431 4.5431 5.0785 5.0785 5.0944 5.0944 6.3874 6.3874 6.4362 6.4362 6.5356 6.5356 6.5978 6.5978 7.0093 7.0093 7.0151 7.0151 8.8397 8.8397 8.8491 8.8491 9.6606 9.6606 9.6649 9.6649 k = 0.0595 0.5000 0.2983 ( 10684 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5273 -3.5273 -3.5265 -3.5265 2.3633 2.3633 2.3668 2.3668 4.5107 4.5107 4.5393 4.5393 5.0685 5.0685 5.0888 5.0888 6.3661 6.3661 6.4151 6.4151 6.5422 6.5422 6.6069 6.6069 7.0186 7.0186 7.0249 7.0249 8.7886 8.7886 8.7989 8.7989 9.6345 9.6345 9.6386 9.6386 k = 0.0714 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5194 -3.5194 -3.5184 -3.5184 2.3713 2.3713 2.3755 2.3755 4.4993 4.4993 4.5338 4.5338 5.0573 5.0573 5.0821 5.0821 6.3438 6.3438 6.3920 6.3920 6.5484 6.5484 6.6141 6.6141 7.0297 7.0297 7.0361 7.0361 8.7298 8.7298 8.7402 8.7402 9.6079 9.6079 9.6112 9.6112 k = 0.0833 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5101 -3.5101 -3.5090 -3.5090 2.3807 2.3807 2.3856 2.3856 4.4858 4.4858 4.5261 4.5261 5.0452 5.0452 5.0747 5.0747 6.3205 6.3205 6.3675 6.3675 6.5534 6.5534 6.6190 6.6190 7.0424 7.0424 7.0484 7.0484 8.6650 8.6650 8.6748 8.6748 9.5816 9.5816 9.5837 9.5837 k = 0.0952 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.4994 -3.4994 -3.4981 -3.4981 2.3914 2.3914 2.3971 2.3971 4.4700 4.4700 4.5161 4.5161 5.0326 5.0326 5.0669 5.0669 6.2966 6.2966 6.3422 6.3422 6.5568 6.5568 6.6215 6.6215 7.0564 7.0564 7.0615 7.0615 8.5959 8.5959 8.6045 8.6045 9.5557 9.5557 9.5562 9.5562 k = 0.1071 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.4873 -3.4873 -3.4859 -3.4859 2.4034 2.4034 2.4098 2.4098 4.4517 4.4517 4.5034 4.5034 5.0199 5.0199 5.0590 5.0590 6.2720 6.2720 6.3163 6.3163 6.5582 6.5582 6.6215 6.6215 7.0715 7.0715 7.0753 7.0753 8.5243 8.5243 8.5313 8.5313 9.5288 9.5288 9.5300 9.5300 k = 0.1190 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.4740 -3.4740 -3.4725 -3.4725 2.4165 2.4165 2.4237 2.4237 4.4309 4.4309 4.4877 4.4877 5.0076 5.0076 5.0513 5.0513 6.2470 6.2470 6.2901 6.2901 6.5575 6.5575 6.6189 6.6189 7.0875 7.0875 7.0897 7.0897 8.4516 8.4516 8.4568 8.4568 9.5013 9.5013 9.5044 9.5044 k = 0.1310 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4595 -3.4595 -3.4578 -3.4578 2.4308 2.4308 2.4388 2.4388 4.4073 4.4073 4.4688 4.4688 4.9961 4.9961 5.0441 5.0441 6.2218 6.2218 6.2636 6.2636 6.5543 6.5543 6.6134 6.6134 7.1041 7.1041 7.1043 7.1043 8.3793 8.3793 8.3823 8.3823 9.4734 9.4734 9.4785 9.4785 k = 0.1429 0.5000 0.2983 ( 10672 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4437 -3.4437 -3.4420 -3.4420 2.4460 2.4460 2.4548 2.4548 4.3810 4.3810 4.4465 4.4465 4.9858 4.9858 5.0377 5.0377 6.1963 6.1963 6.2370 6.2370 6.5486 6.5486 6.6050 6.6050 7.1191 7.1191 7.1212 7.1212 8.3084 8.3084 8.3090 8.3090 9.4451 9.4451 9.4521 9.4521 k = 0.1548 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4269 -3.4269 -3.4250 -3.4250 2.4621 2.4621 2.4718 2.4718 4.3519 4.3519 4.4208 4.4208 4.9770 4.9770 5.0322 5.0322 6.1708 6.1708 6.2104 6.2104 6.5401 6.5401 6.5936 6.5936 7.1340 7.1340 7.1385 7.1385 8.2378 8.2378 8.2397 8.2397 9.4161 9.4161 9.4249 9.4249 k = 0.1667 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.4089 -3.4089 -3.4070 -3.4070 2.4790 2.4790 2.4894 2.4894 4.3203 4.3203 4.3917 4.3917 4.9699 4.9699 5.0278 5.0278 6.1454 6.1454 6.1840 6.1840 6.5289 6.5289 6.5791 6.5791 7.1488 7.1488 7.1559 7.1559 8.1694 8.1694 8.1739 8.1739 9.3863 9.3863 9.3968 9.3968 k = 0.1786 0.5000 0.2983 ( 10672 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.3900 -3.3900 -3.3880 -3.3880 2.4963 2.4963 2.5077 2.5077 4.2862 4.2862 4.3594 4.3594 4.9645 4.9645 5.0246 5.0246 6.1201 6.1201 6.1578 6.1578 6.5148 6.5148 6.5617 6.5617 7.1635 7.1635 7.1733 7.1733 8.1042 8.1042 8.1113 8.1113 9.3558 9.3558 9.3679 9.3679 k = 0.1905 0.5000 0.2983 ( 10684 PWs) bands (ev): -38.5936 -38.5936 -38.5936 -38.5936 -3.3702 -3.3702 -3.3680 -3.3680 2.5141 2.5141 2.5263 2.5263 4.2499 4.2499 4.3242 4.3242 4.9609 4.9609 5.0225 5.0225 6.0950 6.0950 6.1320 6.1320 6.4981 6.4981 6.5415 6.5415 7.1780 7.1780 7.1905 7.1905 8.0423 8.0423 8.0521 8.0521 9.3246 9.3246 9.3382 9.3382 k = 0.2024 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3496 -3.3496 -3.3473 -3.3473 2.5321 2.5321 2.5452 2.5452 4.2119 4.2119 4.2866 4.2866 4.9589 4.9589 5.0216 5.0216 6.0703 6.0703 6.1065 6.1065 6.4789 6.4789 6.5187 6.5187 7.1922 7.1922 7.2074 7.2074 7.9840 7.9840 7.9964 7.9964 9.2930 9.2930 9.3078 9.3078 k = 0.2143 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3282 -3.3282 -3.3258 -3.3258 2.5500 2.5500 2.5640 2.5640 4.1725 4.1725 4.2470 4.2470 4.9586 4.9586 5.0217 5.0217 6.0460 6.0460 6.0815 6.0815 6.4573 6.4573 6.4936 6.4936 7.2059 7.2059 7.2237 7.2237 7.9291 7.9291 7.9440 7.9440 9.2612 9.2612 9.2770 9.2770 k = 0.2262 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.3061 -3.3061 -3.3037 -3.3037 2.5677 2.5677 2.5825 2.5825 4.1321 4.1321 4.2060 4.2060 4.9597 4.9597 5.0230 5.0230 6.0222 6.0222 6.0570 6.0570 6.4339 6.4339 6.4666 6.4666 7.2189 7.2189 7.2393 7.2393 7.8774 7.8774 7.8948 7.8948 9.2294 9.2294 9.2460 9.2460 k = 0.2381 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5935 -38.5935 -38.5935 -38.5935 -3.2836 -3.2836 -3.2811 -3.2811 2.5848 2.5848 2.6005 2.6005 4.0913 4.0913 4.1642 4.1642 4.9620 4.9620 5.0251 5.0251 5.9990 5.9990 6.0330 6.0330 6.4088 6.4088 6.4381 6.4381 7.2312 7.2312 7.2540 7.2540 7.8288 7.8288 7.8486 7.8486 9.1979 9.1979 9.2152 9.2152 k = 0.2500 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2606 -3.2606 -3.2581 -3.2581 2.6012 2.6012 2.6176 2.6176 4.0507 4.0507 4.1222 4.1222 4.9655 4.9655 5.0281 5.0281 5.9764 5.9764 6.0098 6.0098 6.3825 6.3825 6.4084 6.4084 7.2423 7.2423 7.2675 7.2675 7.7831 7.7831 7.8051 7.8051 9.1671 9.1671 9.1848 9.1848 k = 0.2619 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2372 -3.2372 -3.2347 -3.2347 2.6164 2.6164 2.6336 2.6336 4.0109 4.0109 4.0807 4.0807 4.9699 4.9699 5.0318 5.0318 5.9544 5.9544 5.9872 5.9872 6.3553 6.3553 6.3780 6.3780 7.2522 7.2522 7.2794 7.2794 7.7403 7.7403 7.7643 7.7643 9.1372 9.1372 9.1552 9.1552 k = 0.2738 0.5000 0.2983 ( 10672 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.2137 -3.2137 -3.2112 -3.2112 2.6302 2.6302 2.6480 2.6480 3.9723 3.9723 4.0402 4.0402 4.9752 4.9752 5.0361 5.0361 5.9333 5.9333 5.9653 5.9653 6.3277 6.3277 6.3474 6.3474 7.2602 7.2602 7.2894 7.2894 7.7003 7.7003 7.7261 7.7261 9.1086 9.1086 9.1267 9.1267 k = 0.2857 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.1902 -3.1902 -3.1877 -3.1877 2.6423 2.6423 2.6605 2.6605 3.9357 3.9357 4.0014 4.0014 4.9812 4.9812 5.0409 5.0409 5.9129 5.9129 5.9442 5.9442 6.3000 6.3000 6.3167 6.3167 7.2661 7.2661 7.2968 7.2968 7.6634 7.6634 7.6906 7.6906 9.0815 9.0815 9.0994 9.0994 k = 0.2976 0.5000 0.2983 ( 10676 PWs) bands (ev): -38.5934 -38.5934 -38.5934 -38.5934 -3.1667 -3.1667 -3.1642 -3.1642 2.6523 2.6523 2.6709 2.6709 3.9016 3.9016 3.9649 3.9649 4.9878 4.9878 5.0461 5.0461 5.8934 5.8934 5.9239 5.9239 6.2725 6.2725 6.2865 6.2865 7.2693 7.2693 7.3008 7.3008 7.6302 7.6302 7.6582 7.6582 9.0561 9.0561 9.0736 9.0736 k = 0.3095 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.1434 -3.1434 -3.1409 -3.1409 2.6602 2.6602 2.6788 2.6788 3.8705 3.8705 3.9312 3.9312 4.9948 4.9948 5.0516 5.0516 5.8748 5.8748 5.9044 5.9044 6.2455 6.2455 6.2570 6.2570 7.2691 7.2691 7.3008 7.3008 7.6012 7.6012 7.6293 7.6293 9.0325 9.0325 9.0496 9.0496 k = 0.3214 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.1204 -3.1204 -3.1181 -3.1181 2.6656 2.6656 2.6841 2.6841 3.8428 3.8428 3.9007 3.9007 5.0023 5.0023 5.0573 5.0573 5.8571 5.8571 5.8859 5.8859 6.2193 6.2193 6.2285 6.2285 7.2649 7.2649 7.2957 7.2957 7.5773 7.5773 7.6044 7.6044 9.0108 9.0108 9.0273 9.0273 k = 0.3333 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.0980 -3.0980 -3.0957 -3.0957 2.6684 2.6684 2.6866 2.6866 3.8189 3.8189 3.8736 3.8736 5.0099 5.0099 5.0631 5.0631 5.8405 5.8405 5.8682 5.8682 6.1940 6.1940 6.2011 6.2011 7.2564 7.2564 7.2851 7.2851 7.5590 7.5590 7.5840 7.5840 8.9911 8.9911 9.0069 9.0069 k = 0.3452 0.5000 0.2983 ( 10672 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.0763 -3.0763 -3.0740 -3.0740 2.6687 2.6687 2.6863 2.6863 3.7989 3.7989 3.8503 3.8503 5.0178 5.0178 5.0688 5.0688 5.8249 5.8249 5.8515 5.8515 6.1698 6.1698 6.1751 6.1751 7.2434 7.2434 7.2690 7.2690 7.5463 7.5463 7.5682 7.5682 8.9734 8.9734 8.9883 8.9883 k = 0.3571 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5933 -38.5933 -38.5933 -38.5933 -3.0553 -3.0553 -3.0531 -3.0531 2.6666 2.6666 2.6833 2.6833 3.7829 3.7829 3.8307 3.8307 5.0258 5.0258 5.0743 5.0743 5.8104 5.8104 5.8357 5.8357 6.1470 6.1470 6.1506 6.1506 7.2264 7.2264 7.2483 7.2483 7.5386 7.5386 7.5568 7.5568 8.9577 8.9577 8.9716 8.9716 k = 0.3690 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -3.0353 -3.0353 -3.0332 -3.0332 2.6622 2.6622 2.6779 2.6779 3.7707 3.7707 3.8148 3.8148 5.0338 5.0338 5.0797 5.0797 5.7970 5.7970 5.8210 5.8210 6.1255 6.1255 6.1277 6.1277 7.2061 7.2061 7.2244 7.2244 7.5347 7.5347 7.5494 7.5494 8.9438 8.9438 8.9567 8.9567 k = 0.3810 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -3.0164 -3.0164 -3.0145 -3.0145 2.6560 2.6560 2.6705 2.6705 3.7620 3.7620 3.8023 3.8023 5.0417 5.0417 5.0847 5.0847 5.7848 5.7848 5.8073 5.8073 6.1055 6.1055 6.1066 6.1066 7.1836 7.1836 7.1985 7.1985 7.5336 7.5336 7.5450 7.5450 8.9317 8.9317 8.9435 8.9435 k = 0.3929 0.5000 0.2983 ( 10652 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9987 -2.9987 -2.9970 -2.9970 2.6484 2.6484 2.6615 2.6615 3.7565 3.7565 3.7928 3.7928 5.0494 5.0494 5.0892 5.0892 5.7738 5.7738 5.7946 5.7946 6.0872 6.0872 6.0873 6.0873 7.1600 7.1600 7.1720 7.1720 7.5343 7.5343 7.5429 7.5429 8.9213 8.9213 8.9319 8.9319 k = 0.4048 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9825 -2.9825 -2.9809 -2.9809 2.6398 2.6398 2.6515 2.6515 3.7536 3.7536 3.7859 3.7859 5.0569 5.0569 5.0933 5.0933 5.7640 5.7640 5.7830 5.7830 6.0699 6.0699 6.0705 6.0705 7.1364 7.1364 7.1459 7.1459 7.5361 7.5361 7.5424 7.5424 8.9124 8.9124 8.9219 8.9219 k = 0.4167 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9678 -2.9678 -2.9664 -2.9664 2.6308 2.6308 2.6410 2.6410 3.7530 3.7530 3.7811 3.7811 5.0641 5.0641 5.0968 5.0968 5.7555 5.7555 5.7726 5.7726 6.0545 6.0545 6.0556 6.0556 7.1136 7.1136 7.1211 7.1211 7.5384 7.5384 7.5429 7.5429 8.9049 8.9049 8.9133 8.9133 k = 0.4286 0.5000 0.2983 ( 10660 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9548 -2.9548 -2.9535 -2.9535 2.6219 2.6219 2.6306 2.6306 3.7539 3.7539 3.7780 3.7780 5.0710 5.0710 5.0996 5.0996 5.7483 5.7483 5.7632 5.7632 6.0411 6.0411 6.0425 6.0425 7.0924 7.0924 7.0983 7.0983 7.5409 7.5409 7.5441 7.5441 8.8988 8.8988 8.9060 8.9060 k = 0.4405 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9435 -2.9435 -2.9424 -2.9424 2.6135 2.6135 2.6207 2.6207 3.7560 3.7560 3.7760 3.7760 5.0773 5.0773 5.1016 5.1016 5.7423 5.7423 5.7550 5.7550 6.0298 6.0298 6.0312 6.0312 7.0735 7.0735 7.0781 7.0781 7.5433 7.5433 7.5455 7.5455 8.8939 8.8939 8.8999 8.8999 k = 0.4524 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9341 -2.9341 -2.9333 -2.9333 2.6061 2.6061 2.6119 2.6119 3.7587 3.7587 3.7747 3.7747 5.0831 5.0831 5.1029 5.1029 5.7377 5.7377 5.7480 5.7480 6.0205 6.0205 6.0219 6.0219 7.0574 7.0574 7.0608 7.0608 7.5454 7.5454 7.5469 7.5469 8.8901 8.8901 8.8949 8.8949 k = 0.4643 0.5000 0.2983 ( 10664 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9267 -2.9267 -2.9261 -2.9261 2.6001 2.6001 2.6044 2.6044 3.7617 3.7617 3.7737 3.7737 5.0883 5.0883 5.1033 5.1033 5.7344 5.7344 5.7423 5.7423 6.0133 6.0133 6.0145 6.0145 7.0445 7.0445 7.0470 7.0470 7.5472 7.5472 7.5482 7.5482 8.8874 8.8874 8.8910 8.8910 k = 0.4762 0.5000 0.2983 ( 10668 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9213 -2.9213 -2.9209 -2.9209 2.5959 2.5959 2.5987 2.5987 3.7647 3.7647 3.7726 3.7726 5.0928 5.0928 5.1029 5.1029 5.7325 5.7325 5.7377 5.7377 6.0083 6.0083 6.0091 6.0091 7.0352 7.0352 7.0368 7.0368 7.5486 7.5486 7.5491 7.5491 8.8857 8.8857 8.8881 8.8881 k = 0.4881 0.5000 0.2983 ( 10652 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9180 -2.9180 -2.9178 -2.9178 2.5935 2.5935 2.5949 2.5949 3.7673 3.7673 3.7713 3.7713 5.0966 5.0966 5.1016 5.1016 5.7318 5.7318 5.7345 5.7345 6.0053 6.0053 6.0058 6.0058 7.0296 7.0296 7.0304 7.0304 7.5494 7.5494 7.5497 7.5497 8.8849 8.8849 8.8861 8.8861 k = 0.5000 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9169 -2.9169 -2.9169 -2.9169 2.5931 2.5931 2.5931 2.5931 3.7695 3.7695 3.7695 3.7695 5.0995 5.0995 5.0995 5.0995 5.7325 5.7325 5.7325 5.7325 6.0045 6.0045 6.0045 6.0045 7.0280 7.0280 7.0280 7.0280 7.5498 7.5498 7.5498 7.5498 8.8850 8.8850 8.8850 8.8850 k = 0.5000 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9169 -2.9169 -2.9169 -2.9169 2.5931 2.5931 2.5931 2.5931 3.7695 3.7695 3.7695 3.7695 5.0995 5.0995 5.0995 5.0995 5.7325 5.7325 5.7325 5.7325 6.0045 6.0045 6.0045 6.0045 7.0280 7.0280 7.0280 7.0280 7.5498 7.5498 7.5498 7.5498 8.8850 8.8850 8.8850 8.8850 k = 0.4915 0.4915 0.2983 ( 10652 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9183 -2.9183 -2.9176 -2.9176 2.5934 2.5934 2.5950 2.5950 3.7671 3.7671 3.7715 3.7715 5.0963 5.0963 5.1019 5.1019 5.7318 5.7318 5.7346 5.7346 6.0053 6.0053 6.0058 6.0058 7.0286 7.0286 7.0315 7.0315 7.5494 7.5494 7.5497 7.5497 8.8847 8.8847 8.8862 8.8862 k = 0.4831 0.4831 0.2983 ( 10678 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9226 -2.9226 -2.9197 -2.9197 2.5951 2.5951 2.5997 2.5997 3.7632 3.7632 3.7740 3.7740 5.0909 5.0909 5.1048 5.1048 5.7319 5.7319 5.7383 5.7383 6.0083 6.0083 6.0092 6.0092 7.0304 7.0304 7.0418 7.0418 7.5485 7.5485 7.5492 7.5492 8.8847 8.8847 8.8891 8.8891 k = 0.4746 0.4746 0.2983 ( 10670 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9298 -2.9298 -2.9233 -2.9233 2.5982 2.5982 2.6072 2.6072 3.7574 3.7574 3.7775 3.7775 5.0828 5.0828 5.1087 5.1087 5.7328 5.7328 5.7439 5.7439 6.0133 6.0133 6.0148 6.0148 7.0335 7.0335 7.0588 7.0588 7.5470 7.5470 7.5482 7.5482 8.8847 8.8847 8.8938 8.8938 k = 0.4661 0.4661 0.2983 ( 10652 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9398 -2.9398 -2.9283 -2.9283 2.6025 2.6025 2.6178 2.6178 3.7495 3.7495 3.7822 3.7822 5.0719 5.0719 5.1138 5.1138 5.7343 5.7343 5.7512 5.7512 6.0203 6.0203 6.0225 6.0225 7.0378 7.0378 7.0825 7.0825 7.5450 7.5450 7.5470 7.5470 8.8847 8.8847 8.9003 8.9003 k = 0.4576 0.4576 0.2983 ( 10660 PWs) bands (ev): -38.5932 -38.5932 -38.5931 -38.5931 -2.9525 -2.9525 -2.9347 -2.9347 2.6081 2.6081 2.6313 2.6313 3.7398 3.7398 3.7882 3.7882 5.0581 5.0581 5.1202 5.1202 5.7364 5.7364 5.7602 5.7602 6.0294 6.0294 6.0322 6.0322 7.0433 7.0433 7.1126 7.1126 7.5425 7.5425 7.5453 7.5453 8.8847 8.8847 8.9089 8.9089 k = 0.4492 0.4492 0.2983 ( 10668 PWs) bands (ev): -38.5933 -38.5933 -38.5931 -38.5931 -2.9679 -2.9679 -2.9424 -2.9424 2.6149 2.6149 2.6478 2.6478 3.7283 3.7283 3.7954 3.7954 5.0418 5.0418 5.1276 5.1276 5.7391 5.7391 5.7705 5.7705 6.0404 6.0404 6.0441 6.0441 7.0499 7.0499 7.1489 7.1489 7.5396 7.5396 7.5433 7.5433 8.8847 8.8847 8.9195 8.9195 k = 0.4407 0.4407 0.2983 ( 10660 PWs) bands (ev): -38.5933 -38.5933 -38.5931 -38.5931 -2.9859 -2.9859 -2.9514 -2.9514 2.6230 2.6230 2.6672 2.6672 3.7153 3.7153 3.8038 3.8038 5.0230 5.0230 5.1361 5.1361 5.7425 5.7425 5.7818 5.7818 6.0534 6.0534 6.0581 6.0581 7.0578 7.0578 7.1910 7.1910 7.5365 7.5365 7.5410 7.5410 8.8847 8.8847 8.9323 8.9323 k = 0.4322 0.4322 0.2983 ( 10648 PWs) bands (ev): -38.5933 -38.5933 -38.5931 -38.5931 -3.0063 -3.0063 -2.9618 -2.9618 2.6323 2.6323 2.6896 2.6896 3.7008 3.7008 3.8134 3.8134 5.0020 5.0020 5.1454 5.1454 5.7466 5.7466 5.7937 5.7937 6.0684 6.0684 6.0741 6.0741 7.0667 7.0667 7.2387 7.2387 7.5332 7.5332 7.5383 7.5383 8.8846 8.8846 8.9472 8.9472 k = 0.4237 0.4237 0.2983 ( 10656 PWs) bands (ev): -38.5934 -38.5934 -38.5931 -38.5931 -3.0292 -3.0292 -2.9733 -2.9733 2.6428 2.6428 2.7149 2.7149 3.6852 3.6852 3.8242 3.8242 4.9790 4.9790 5.1554 5.1554 5.7515 5.7515 5.8057 5.8057 6.0853 6.0853 6.0922 6.0922 7.0767 7.0767 7.2914 7.2914 7.5301 7.5301 7.5353 7.5353 8.8846 8.8846 8.9645 8.9645 k = 0.4153 0.4153 0.2983 ( 10652 PWs) bands (ev): -38.5934 -38.5934 -38.5931 -38.5931 -3.0544 -3.0544 -2.9861 -2.9861 2.6545 2.6545 2.7432 2.7432 3.6687 3.6687 3.8360 3.8360 4.9542 4.9542 5.1661 5.1661 5.7572 5.7572 5.8176 5.8176 6.1041 6.1041 6.1123 6.1123 7.0878 7.0878 7.3485 7.3485 7.5272 7.5272 7.5322 7.5322 8.8845 8.8845 8.9841 8.9841 k = 0.4068 0.4068 0.2983 ( 10662 PWs) bands (ev): -38.5935 -38.5935 -38.5930 -38.5930 -3.0817 -3.0817 -3.0000 -3.0000 2.6674 2.6674 2.7742 2.7742 3.6513 3.6513 3.8489 3.8489 4.9277 4.9277 5.1772 5.1772 5.7638 5.7638 5.8288 5.8288 6.1249 6.1249 6.1344 6.1344 7.0998 7.0998 7.4091 7.4091 7.5252 7.5252 7.5289 7.5289 8.8844 8.8844 9.0062 9.0062 k = 0.3983 0.3983 0.2983 ( 10666 PWs) bands (ev): -38.5935 -38.5935 -38.5930 -38.5930 -3.1110 -3.1110 -3.0150 -3.0150 2.6815 2.6815 2.8082 2.8082 3.6334 3.6334 3.8628 3.8628 4.8998 4.8998 5.1888 5.1888 5.7713 5.7713 5.8391 5.8391 6.1475 6.1475 6.1584 6.1584 7.1128 7.1128 7.4697 7.4697 7.5239 7.5239 7.5286 7.5286 8.8842 8.8842 9.0307 9.0307 k = 0.3898 0.3898 0.2983 ( 10674 PWs) bands (ev): -38.5936 -38.5936 -38.5930 -38.5930 -3.1422 -3.1422 -3.0309 -3.0309 2.6967 2.6967 2.8449 2.8449 3.6151 3.6151 3.8776 3.8776 4.8707 4.8707 5.2007 5.2007 5.7797 5.7797 5.8481 5.8481 6.1720 6.1720 6.1843 6.1843 7.1266 7.1266 7.5059 7.5059 7.5207 7.5207 7.5581 7.5581 8.8839 8.8839 9.0578 9.0578 k = 0.3814 0.3814 0.2983 ( 10682 PWs) bands (ev): -38.5937 -38.5937 -38.5930 -38.5930 -3.1752 -3.1752 -3.0479 -3.0479 2.7131 2.7131 2.8843 2.8843 3.5965 3.5965 3.8932 3.8932 4.8405 4.8405 5.2129 5.2129 5.7891 5.7891 5.8557 5.8557 6.1982 6.1982 6.2119 6.2119 7.1411 7.1411 7.5102 7.5102 7.5176 7.5176 7.6223 7.6223 8.8836 8.8836 9.0873 9.0873 k = 0.3729 0.3729 0.2983 ( 10670 PWs) bands (ev): -38.5937 -38.5937 -38.5929 -38.5929 -3.2097 -3.2097 -3.0657 -3.0657 2.7306 2.7306 2.9265 2.9265 3.5777 3.5777 3.9096 3.9096 4.8094 4.8094 5.2253 5.2253 5.7995 5.7995 5.8616 5.8616 6.2260 6.2260 6.2410 6.2410 7.1564 7.1564 7.5085 7.5085 7.5163 7.5163 7.6930 7.6930 8.8832 8.8832 9.1193 9.1193 k = 0.3644 0.3644 0.2983 ( 10670 PWs) bands (ev): -38.5938 -38.5938 -38.5929 -38.5929 -3.2457 -3.2457 -3.0843 -3.0843 2.7491 2.7491 2.9714 2.9714 3.5590 3.5590 3.9266 3.9266 4.7776 4.7776 5.2379 5.2379 5.8109 5.8109 5.8659 5.8659 6.2554 6.2554 6.2716 6.2716 7.1722 7.1722 7.5048 7.5048 7.5174 7.5174 7.7652 7.7652 8.8826 8.8826 9.1535 9.1535 k = 0.3559 0.3559 0.2983 ( 10664 PWs) bands (ev): -38.5939 -38.5939 -38.5929 -38.5929 -3.2829 -3.2829 -3.1036 -3.1036 2.7687 2.7687 3.0188 3.0188 3.5403 3.5403 3.9443 3.9443 4.7453 4.7453 5.2507 5.2507 5.8230 5.8230 5.8687 5.8687 6.2862 6.2862 6.3033 6.3033 7.1885 7.1885 7.5003 7.5003 7.5203 7.5203 7.8372 7.8372 8.8820 8.8820 9.1900 9.1900 k = 0.3475 0.3475 0.2983 ( 10656 PWs) bands (ev): -38.5940 -38.5940 -38.5928 -38.5928 -3.3213 -3.3213 -3.1237 -3.1237 2.7893 2.7893 3.0688 3.0688 3.5219 3.5219 3.9624 3.9624 4.7125 4.7125 5.2636 5.2636 5.8355 5.8355 5.8703 5.8703 6.3183 6.3183 6.3362 6.3362 7.2050 7.2050 7.4955 7.4955 7.5251 7.5251 7.9077 7.9077 8.8812 8.8812 9.2284 9.2284 k = 0.3390 0.3390 0.2983 ( 10658 PWs) bands (ev): -38.5941 -38.5941 -38.5928 -38.5928 -3.3607 -3.3607 -3.1443 -3.1443 2.8109 2.8109 3.1212 3.1212 3.5038 3.5038 3.9810 3.9810 4.6795 4.6795 5.2766 5.2766 5.8471 5.8471 5.8722 5.8722 6.3515 6.3515 6.3699 6.3699 7.2219 7.2219 7.4905 7.4905 7.5320 7.5320 7.9755 7.9755 8.8802 8.8802 9.2685 9.2685 k = 0.3305 0.3305 0.2983 ( 10658 PWs) bands (ev): -38.5941 -38.5941 -38.5928 -38.5928 -3.4010 -3.4010 -3.1654 -3.1654 2.8333 2.8333 3.1758 3.1758 3.4862 3.4862 3.9998 3.9998 4.6464 4.6464 5.2898 5.2898 5.8534 5.8534 5.8786 5.8786 6.3856 6.3856 6.4045 6.4045 7.2388 7.2388 7.4855 7.4855 7.5413 7.5413 8.0392 8.0392 8.8791 8.8791 9.3100 9.3100 k = 0.3220 0.3220 0.2983 ( 10654 PWs) bands (ev): -38.5942 -38.5942 -38.5927 -38.5927 -3.4419 -3.4419 -3.1870 -3.1870 2.8565 2.8565 3.2324 3.2324 3.4694 3.4694 4.0189 4.0189 4.6133 4.6133 5.3031 5.3031 5.8524 5.8524 5.8917 5.8917 6.4203 6.4203 6.4399 6.4399 7.2557 7.2557 7.4806 7.4806 7.5531 7.5531 8.0975 8.0975 8.8778 8.8778 9.3524 9.3524 k = 0.3136 0.3136 0.2983 ( 10662 PWs) bands (ev): -38.5943 -38.5943 -38.5927 -38.5927 -3.4834 -3.4834 -3.2090 -3.2090 2.8805 2.8805 3.2903 3.2903 3.4540 3.4540 4.0380 4.0380 4.5804 4.5804 5.3166 5.3166 5.8473 5.8473 5.9082 5.9082 6.4553 6.4553 6.4762 6.4762 7.2726 7.2726 7.4757 7.4757 7.5677 7.5677 8.1492 8.1492 8.8763 8.8763 9.3955 9.3955 k = 0.3051 0.3051 0.2983 ( 10662 PWs) bands (ev): -38.5944 -38.5944 -38.5926 -38.5926 -3.5253 -3.5253 -3.2312 -3.2312 2.9051 2.9051 3.3465 3.3465 3.4428 3.4428 4.0571 4.0571 4.5478 4.5478 5.3303 5.3303 5.8399 5.8399 5.9264 5.9264 6.4902 6.4902 6.5133 6.5133 7.2894 7.2894 7.4710 7.4710 7.5850 7.5850 8.1933 8.1933 8.8745 8.8745 9.4386 9.4386 k = 0.2966 0.2966 0.2983 ( 10668 PWs) bands (ev): -38.5945 -38.5945 -38.5926 -38.5926 -3.5675 -3.5675 -3.2537 -3.2537 2.9304 2.9304 3.3850 3.3850 3.4520 3.4520 4.0761 4.0761 4.5157 4.5157 5.3441 5.3441 5.8307 5.8307 5.9459 5.9459 6.5248 6.5248 6.5514 6.5514 7.3061 7.3061 7.4666 7.4666 7.6053 7.6053 8.2288 8.2288 8.8725 8.8725 9.4814 9.4814 k = 0.2881 0.2881 0.2983 ( 10676 PWs) bands (ev): -38.5946 -38.5946 -38.5926 -38.5926 -3.6099 -3.6099 -3.2763 -3.2763 2.9561 2.9561 3.3859 3.3859 3.5014 3.5014 4.0948 4.0948 4.4842 4.4842 5.3582 5.3582 5.8200 5.8200 5.9664 5.9664 6.5590 6.5590 6.5902 6.5902 7.3229 7.3229 7.4627 7.4627 7.6285 7.6285 8.2556 8.2556 8.8701 8.8701 9.5232 9.5232 k = 0.2797 0.2797 0.2983 ( 10678 PWs) bands (ev): -38.5947 -38.5947 -38.5925 -38.5925 -3.6523 -3.6523 -3.2991 -3.2991 2.9821 2.9821 3.3743 3.3743 3.5657 3.5657 4.1132 4.1132 4.4535 4.4535 5.3725 5.3725 5.8080 5.8080 5.9878 5.9878 6.5926 6.5926 6.6297 6.6297 7.3396 7.3396 7.4594 7.4594 7.6546 7.6546 8.2734 8.2734 8.8675 8.8675 9.5636 9.5636 k = 0.2712 0.2712 0.2983 ( 10686 PWs) bands (ev): -38.5948 -38.5948 -38.5925 -38.5925 -3.6946 -3.6946 -3.3218 -3.3218 3.0084 3.0084 3.3605 3.3605 3.6345 3.6345 4.1311 4.1311 4.4238 4.4238 5.3870 5.3870 5.7949 5.7949 6.0100 6.0100 6.6257 6.6257 6.6696 6.6696 7.3562 7.3562 7.4570 7.4570 7.6836 7.6836 8.2827 8.2827 8.8645 8.8645 9.6019 9.6019 k = 0.2627 0.2627 0.2983 ( 10686 PWs) bands (ev): -38.5949 -38.5949 -38.5925 -38.5925 -3.7367 -3.7367 -3.3445 -3.3445 3.0348 3.0348 3.3462 3.3462 3.7061 3.7061 4.1485 4.1485 4.3954 4.3954 5.4017 5.4017 5.7806 5.7806 6.0329 6.0329 6.6581 6.6581 6.7096 6.7096 7.3725 7.3725 7.4560 7.4560 7.7154 7.7154 8.2842 8.2842 8.8611 8.8611 9.6378 9.6378 k = 0.2542 0.2542 0.2983 ( 10682 PWs) bands (ev): -38.5950 -38.5950 -38.5924 -38.5924 -3.7785 -3.7785 -3.3671 -3.3671 3.0611 3.0611 3.3320 3.3320 3.7798 3.7798 4.1652 4.1652 4.3683 4.3683 5.4167 5.4167 5.7655 5.7655 6.0564 6.0564 6.6899 6.6899 6.7495 6.7495 7.3881 7.3881 7.4571 7.4571 7.7500 7.7500 8.2787 8.2787 8.8573 8.8573 9.6707 9.6707 k = 0.2458 0.2458 0.2983 ( 10674 PWs) bands (ev): -38.5951 -38.5951 -38.5924 -38.5924 -3.8199 -3.8199 -3.3895 -3.3895 3.0871 3.0871 3.3180 3.3180 3.8552 3.8552 4.1810 4.1810 4.3429 4.3429 5.4319 5.4319 5.7495 5.7495 6.0804 6.0804 6.7210 6.7210 6.7889 6.7889 7.4020 7.4020 7.4615 7.4615 7.7874 7.7874 8.2675 8.2675 8.8531 8.8531 9.7003 9.7003 k = 0.2373 0.2373 0.2983 ( 10682 PWs) bands (ev): -38.5952 -38.5952 -38.5923 -38.5923 -3.8607 -3.8607 -3.4117 -3.4117 3.1127 3.1127 3.3043 3.3043 3.9320 3.9320 4.1958 4.1958 4.3197 4.3197 5.4474 5.4474 5.7329 5.7329 6.1049 6.1049 6.7514 6.7514 6.8275 6.8275 7.4132 7.4132 7.4705 7.4705 7.8274 7.8274 8.2514 8.2514 8.8485 8.8485 9.7262 9.7262 k = 0.2288 0.2288 0.2983 ( 10686 PWs) bands (ev): -38.5953 -38.5953 -38.5923 -38.5923 -3.9009 -3.9009 -3.4336 -3.4336 3.1377 3.1377 3.2911 3.2911 4.0099 4.0099 4.2091 4.2091 4.2993 4.2993 5.4631 5.4631 5.7157 5.7157 6.1296 6.1296 6.7811 6.7811 6.8650 6.8650 7.4217 7.4217 7.4842 7.4842 7.8702 7.8702 8.2316 8.2316 8.8434 8.8434 9.7481 9.7481 k = 0.2203 0.2203 0.2983 ( 10698 PWs) bands (ev): -38.5954 -38.5954 -38.5923 -38.5923 -3.9404 -3.9404 -3.4551 -3.4551 3.1617 3.1617 3.2783 3.2783 4.0879 4.0879 4.2206 4.2206 4.2832 4.2832 5.4789 5.4789 5.6980 5.6980 6.1546 6.1546 6.8101 6.8101 6.9008 6.9008 7.4290 7.4290 7.5016 7.5016 7.9157 7.9157 8.2090 8.2090 8.8377 8.8377 9.7659 9.7659 k = 0.2119 0.2119 0.2983 ( 10702 PWs) bands (ev): -38.5955 -38.5955 -38.5922 -38.5922 -3.9791 -3.9791 -3.4763 -3.4763 3.1843 3.1843 3.2662 3.2662 4.1620 4.1620 4.2311 4.2311 4.2744 4.2744 5.4950 5.4950 5.6800 5.6800 6.1796 6.1796 6.8383 6.8383 6.9346 6.9346 7.4364 7.4364 7.5215 7.5215 7.9639 7.9639 8.1845 8.1845 8.8316 8.8316 9.7795 9.7795 k = 0.2034 0.2034 0.2983 ( 10698 PWs) bands (ev): -38.5956 -38.5956 -38.5922 -38.5922 -4.0169 -4.0169 -3.4970 -3.4970 3.2050 3.2050 3.2553 3.2553 4.2028 4.2028 4.2605 4.2605 4.2825 4.2825 5.5111 5.5111 5.6618 5.6618 6.2046 6.2046 6.8656 6.8656 6.9658 6.9658 7.4451 7.4451 7.5429 7.5429 8.0148 8.0148 8.1589 8.1589 8.8249 8.8249 9.7889 9.7889 k = 0.1949 0.1949 0.2983 ( 10688 PWs) bands (ev): -38.5957 -38.5957 -38.5921 -38.5921 -4.0537 -4.0537 -3.5172 -3.5172 3.2206 3.2206 3.2483 3.2483 4.2030 4.2030 4.2754 4.2754 4.3482 4.3482 5.5273 5.5273 5.6436 5.6436 6.2295 6.2295 6.8920 6.8920 6.9942 6.9942 7.4558 7.4558 7.5654 7.5654 8.0683 8.0683 8.1329 8.1329 8.8176 8.8176 9.7942 9.7942 k = 0.1864 0.1864 0.2983 ( 10694 PWs) bands (ev): -38.5958 -38.5958 -38.5921 -38.5921 -4.0895 -4.0895 -3.5369 -3.5369 3.2221 3.2221 3.2543 3.2543 4.1966 4.1966 4.2841 4.2841 4.4289 4.4289 5.5434 5.5434 5.6254 5.6254 6.2540 6.2540 6.9173 6.9173 7.0193 7.0193 7.4692 7.4692 7.5886 7.5886 8.1048 8.1048 8.1268 8.1268 8.8097 8.8097 9.7954 9.7954 k = 0.1780 0.1780 0.2983 ( 10684 PWs) bands (ev): -38.5959 -38.5959 -38.5921 -38.5921 -4.1241 -4.1241 -3.5559 -3.5559 3.2140 3.2140 3.2683 3.2683 4.1905 4.1905 4.2928 4.2928 4.5119 4.5119 5.5592 5.5592 5.6077 5.6077 6.2781 6.2781 6.9416 6.9416 7.0409 7.0409 7.4852 7.4852 7.6121 7.6121 8.0803 8.0803 8.1850 8.1850 8.8013 8.8013 9.7929 9.7929 k = 0.1695 0.1695 0.2983 ( 10676 PWs) bands (ev): -38.5960 -38.5960 -38.5920 -38.5920 -4.1576 -4.1576 -3.5744 -3.5744 3.2043 3.2043 3.2823 3.2823 4.1861 4.1861 4.3010 4.3010 4.5957 4.5957 5.5722 5.5722 5.5928 5.5928 6.3016 6.3016 6.9645 6.9645 7.0592 7.0592 7.5041 7.5041 7.6357 7.6357 8.0558 8.0558 8.2470 8.2470 8.7922 8.7922 9.7868 9.7868 k = 0.1610 0.1610 0.2983 ( 10670 PWs) bands (ev): -38.5961 -38.5961 -38.5920 -38.5920 -4.1898 -4.1898 -3.5921 -3.5921 3.1945 3.1945 3.2949 3.2949 4.1841 4.1841 4.3087 4.3087 4.6796 4.6796 5.5668 5.5668 5.5966 5.5966 6.3244 6.3244 6.9858 6.9858 7.0745 7.0745 7.5255 7.5255 7.6593 7.6593 8.0324 8.0324 8.3117 8.3117 8.7826 8.7826 9.7776 9.7776 k = 0.1525 0.1525 0.2983 ( 10674 PWs) bands (ev): -38.5962 -38.5962 -38.5920 -38.5920 -4.2207 -4.2207 -3.6092 -3.6092 3.1849 3.1849 3.3055 3.3055 4.1845 4.1845 4.3158 4.3158 4.7634 4.7634 5.5507 5.5507 5.6113 5.6113 6.3463 6.3463 7.0050 7.0050 7.0874 7.0874 7.5491 7.5491 7.6827 7.6827 8.0107 8.0107 8.3790 8.3790 8.7724 8.7724 9.7654 9.7654 k = 0.1441 0.1441 0.2983 ( 10678 PWs) bands (ev): -38.5962 -38.5962 -38.5919 -38.5919 -4.2502 -4.2502 -3.6256 -3.6256 3.1757 3.1757 3.3142 3.3142 4.1874 4.1874 4.3223 4.3223 4.8467 4.8467 5.5338 5.5338 5.6268 5.6268 6.3672 6.3672 7.0218 7.0218 7.0986 7.0986 7.5744 7.5744 7.7055 7.7055 7.9908 7.9908 8.4488 8.4488 8.7616 8.7616 9.7508 9.7508 k = 0.1356 0.1356 0.2983 ( 10670 PWs) bands (ev): -38.5963 -38.5963 -38.5919 -38.5919 -4.2783 -4.2783 -3.6411 -3.6411 3.1668 3.1668 3.3209 3.3209 4.1927 4.1927 4.3282 4.3282 4.9291 4.9291 5.5172 5.5172 5.6425 5.6425 6.3870 6.3870 7.0352 7.0352 7.1095 7.1095 7.6009 7.6009 7.7278 7.7278 7.9729 7.9729 8.5208 8.5208 8.7503 8.7503 9.7340 9.7340 k = 0.1271 0.1271 0.2983 ( 10668 PWs) bands (ev): -38.5964 -38.5964 -38.5919 -38.5919 -4.3050 -4.3050 -3.6559 -3.6559 3.1584 3.1584 3.3257 3.3257 4.1999 4.1999 4.3335 4.3335 5.0103 5.0103 5.5011 5.5011 5.6579 5.6579 6.4056 6.4056 7.0448 7.0448 7.1207 7.1207 7.6280 7.6280 7.7493 7.7493 7.9572 7.9572 8.5946 8.5946 8.7388 8.7388 9.7156 9.7156 k = 0.1186 0.1186 0.2983 ( 10676 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.3301 -4.3301 -3.6698 -3.6698 3.1505 3.1505 3.3289 3.3289 4.2090 4.2090 4.3383 4.3383 5.0899 5.0899 5.4855 5.4855 5.6730 5.6730 6.4228 6.4228 7.0503 7.0503 7.1328 7.1328 7.6551 7.6551 7.7697 7.7697 7.9438 7.9438 8.6694 8.6694 8.7276 8.7276 9.6958 9.6958 k = 0.1102 0.1102 0.2983 ( 10676 PWs) bands (ev): -38.5965 -38.5965 -38.5918 -38.5918 -4.3537 -4.3537 -3.6829 -3.6829 3.1430 3.1430 3.3307 3.3307 4.2195 4.2195 4.3427 4.3427 5.1674 5.1674 5.4706 5.4706 5.6878 5.6878 6.4387 6.4387 7.0524 7.0524 7.1457 7.1457 7.6819 7.6819 7.7889 7.7889 7.9329 7.9329 8.7105 8.7105 8.7511 8.7511 9.6752 9.6752 k = 0.1017 0.1017 0.2983 ( 10694 PWs) bands (ev): -38.5966 -38.5966 -38.5918 -38.5918 -4.3757 -4.3757 -3.6951 -3.6951 3.1360 3.1360 3.3312 3.3312 4.2309 4.2309 4.3467 4.3467 5.2423 5.2423 5.4565 5.4565 5.7022 5.7022 6.4531 6.4531 7.0515 7.0515 7.1588 7.1588 7.7079 7.7079 7.8066 7.8066 7.9246 7.9246 8.6996 8.6996 8.8273 8.8273 9.6542 9.6542 k = 0.0932 0.0932 0.2983 ( 10702 PWs) bands (ev): -38.5967 -38.5967 -38.5918 -38.5918 -4.3960 -4.3960 -3.7064 -3.7064 3.1295 3.1295 3.3307 3.3307 4.2430 4.2430 4.3505 4.3505 5.3140 5.3140 5.4433 5.4433 5.7163 5.7163 6.4660 6.4660 7.0485 7.0485 7.1718 7.1718 7.7328 7.7328 7.8224 7.8224 7.9190 7.9190 8.6871 8.6871 8.9053 8.9053 9.6331 9.6331 k = 0.0847 0.0847 0.2983 ( 10708 PWs) bands (ev): -38.5967 -38.5967 -38.5918 -38.5918 -4.4147 -4.4147 -3.7168 -3.7168 3.1235 3.1235 3.3295 3.3295 4.2553 4.2553 4.3540 4.3540 5.3813 5.3813 5.4319 5.4319 5.7299 5.7299 6.4775 6.4775 7.0439 7.0439 7.1841 7.1841 7.7562 7.7562 7.8359 7.8359 7.9166 7.9166 8.6745 8.6745 8.9831 8.9831 9.6124 9.6124 k = 0.0763 0.0763 0.2983 ( 10716 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.4317 -4.4317 -3.7263 -3.7263 3.1181 3.1181 3.3277 3.3277 4.2672 4.2672 4.3575 4.3575 5.4157 5.4157 5.4499 5.4499 5.7433 5.7433 6.4875 6.4875 7.0382 7.0382 7.1957 7.1957 7.7779 7.7779 7.8467 7.8467 7.9173 7.9173 8.6621 8.6621 9.0597 9.0597 9.5924 9.5924 k = 0.0678 0.0678 0.2983 ( 10710 PWs) bands (ev): -38.5968 -38.5968 -38.5917 -38.5917 -4.4470 -4.4470 -3.7348 -3.7348 3.1132 3.1132 3.3256 3.3256 4.2785 4.2785 4.3609 4.3609 5.4070 5.4070 5.5068 5.5068 5.7565 5.7565 6.4962 6.4962 7.0316 7.0316 7.2064 7.2064 7.7975 7.7975 7.8546 7.8546 7.9210 7.9210 8.6501 8.6501 9.1341 9.1341 9.5737 9.5737 k = 0.0593 0.0593 0.2983 ( 10716 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4606 -4.4606 -3.7423 -3.7423 3.1088 3.1088 3.3233 3.3233 4.2888 4.2888 4.3645 4.3645 5.3978 5.3978 5.5593 5.5593 5.7698 5.7698 6.5035 6.5035 7.0246 7.0246 7.2159 7.2159 7.8149 7.8149 7.8602 7.8602 7.9270 7.9270 8.6388 8.6388 9.2052 9.2052 9.5565 9.5565 k = 0.0508 0.0508 0.2983 ( 10716 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4723 -4.4723 -3.7489 -3.7489 3.1050 3.1050 3.3211 3.3211 4.2977 4.2977 4.3681 4.3681 5.3895 5.3895 5.6049 5.6049 5.7833 5.7833 6.5097 6.5097 7.0175 7.0175 7.2243 7.2243 7.8298 7.8298 7.8644 7.8644 7.9342 7.9342 8.6283 8.6283 9.2713 9.2713 9.5412 9.5412 k = 0.0424 0.0424 0.2983 ( 10720 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4823 -4.4823 -3.7544 -3.7544 3.1018 3.1018 3.3189 3.3189 4.3051 4.3051 4.3717 4.3717 5.3823 5.3823 5.6426 5.6426 5.7974 5.7974 6.5146 6.5146 7.0106 7.0106 7.2315 7.2315 7.8418 7.8418 7.8680 7.8680 7.9416 7.9416 8.6190 8.6190 9.3309 9.3309 9.5285 9.5285 k = 0.0339 0.0339 0.2983 ( 10724 PWs) bands (ev): -38.5969 -38.5969 -38.5917 -38.5917 -4.4905 -4.4905 -3.7590 -3.7590 3.0992 3.0992 3.3170 3.3170 4.3110 4.3110 4.3753 4.3753 5.3763 5.3763 5.6720 5.6720 5.8117 5.8117 6.5186 6.5186 7.0043 7.0043 7.2374 7.2374 7.8508 7.8508 7.8717 7.8717 7.9485 7.9485 8.6111 8.6111 9.3818 9.3818 9.5188 9.5188 k = 0.0254 0.0254 0.2983 ( 10716 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.4969 -4.4969 -3.7625 -3.7625 3.0971 3.0971 3.3154 3.3154 4.3153 4.3153 4.3784 4.3784 5.3716 5.3716 5.6932 5.6932 5.8253 5.8253 6.5215 6.5215 6.9990 6.9990 7.2420 7.2420 7.8566 7.8566 7.8756 7.8756 7.9542 7.9542 8.6046 8.6046 9.4214 9.4214 9.5135 9.5135 k = 0.0169 0.0169 0.2983 ( 10712 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5015 -4.5015 -3.7651 -3.7651 3.0956 3.0956 3.3142 3.3142 4.3183 4.3183 4.3809 4.3809 5.3683 5.3683 5.7071 5.7071 5.8367 5.8367 6.5236 6.5236 6.9949 6.9949 7.2453 7.2453 7.8600 7.8600 7.8793 7.8793 7.9585 7.9585 8.5999 8.5999 9.4468 9.4468 9.5139 9.5139 k = 0.0085 0.0085 0.2983 ( 10724 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5042 -4.5042 -3.7666 -3.7666 3.0947 3.0947 3.3135 3.3135 4.3200 4.3200 4.3825 4.3825 5.3662 5.3662 5.7149 5.7149 5.8442 5.8442 6.5248 6.5248 6.9924 6.9924 7.2473 7.2473 7.8617 7.8617 7.8818 7.8818 7.9612 7.9612 8.5970 8.5970 9.4584 9.4584 9.5183 9.5183 k = 0.0000 0.0000 0.2983 ( 10766 PWs) bands (ev): -38.5970 -38.5970 -38.5917 -38.5917 -4.5051 -4.5051 -3.7671 -3.7671 3.0944 3.0944 3.3133 3.3133 4.3205 4.3205 4.3830 4.3830 5.3655 5.3655 5.7175 5.7175 5.8469 5.8469 6.5252 6.5252 6.9915 6.9915 7.2480 7.2480 7.8622 7.8622 7.8826 7.8826 7.9621 7.9621 8.5960 8.5960 9.4613 9.4613 9.5208 9.5208 k = 0.0000 0.5000-0.0000 ( 10672 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5548 -3.5548 -3.5548 -3.5548 2.7450 2.7450 2.7450 2.7450 3.9078 3.9078 3.9078 3.9078 5.1071 5.1071 5.1071 5.1071 6.5018 6.5018 6.5018 6.5018 6.7457 6.7457 6.7457 6.7457 7.0120 7.0120 7.0120 7.0120 8.1138 8.1138 8.1138 8.1138 9.5635 9.5635 9.5635 9.5635 k = 0.0000 0.5000 0.0119 ( 10674 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5548 -3.5548 -3.5548 -3.5548 2.7426 2.7426 2.7426 2.7426 3.9110 3.9110 3.9110 3.9110 5.1071 5.1071 5.1071 5.1071 6.5017 6.5017 6.5017 6.5017 6.7448 6.7448 6.7448 6.7448 7.0118 7.0118 7.0118 7.0118 8.1162 8.1162 8.1162 8.1162 9.5640 9.5640 9.5640 9.5640 k = 0.0000 0.5000 0.0239 ( 10678 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5547 -3.5547 -3.5547 -3.5547 2.7358 2.7358 2.7358 2.7358 3.9203 3.9203 3.9203 3.9203 5.1070 5.1070 5.1070 5.1070 6.5015 6.5015 6.5015 6.5015 6.7422 6.7422 6.7422 6.7422 7.0114 7.0114 7.0114 7.0114 8.1232 8.1232 8.1232 8.1232 9.5658 9.5658 9.5658 9.5658 k = 0.0000 0.5000 0.0358 ( 10666 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5545 -3.5545 -3.5545 -3.5545 2.7248 2.7248 2.7248 2.7248 3.9355 3.9355 3.9355 3.9355 5.1069 5.1069 5.1069 5.1069 6.5011 6.5011 6.5011 6.5011 6.7379 6.7379 6.7379 6.7379 7.0106 7.0106 7.0106 7.0106 8.1347 8.1347 8.1347 8.1347 9.5687 9.5687 9.5687 9.5687 k = 0.0000 0.5000 0.0477 ( 10668 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5542 -3.5542 -3.5542 -3.5542 2.7099 2.7099 2.7099 2.7099 3.9561 3.9561 3.9561 3.9561 5.1067 5.1067 5.1067 5.1067 6.5006 6.5006 6.5006 6.5006 6.7320 6.7320 6.7320 6.7320 7.0097 7.0097 7.0097 7.0097 8.1508 8.1508 8.1508 8.1508 9.5727 9.5727 9.5727 9.5727 k = 0.0000 0.5000 0.0597 ( 10670 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5539 -3.5539 -3.5539 -3.5539 2.6919 2.6919 2.6919 2.6919 3.9814 3.9814 3.9814 3.9814 5.1065 5.1065 5.1065 5.1065 6.5000 6.5000 6.5000 6.5000 6.7246 6.7246 6.7246 6.7246 7.0086 7.0086 7.0086 7.0086 8.1712 8.1712 8.1712 8.1712 9.5778 9.5778 9.5778 9.5778 k = 0.0000 0.5000 0.0716 ( 10656 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5535 -3.5535 -3.5535 -3.5535 2.6713 2.6713 2.6713 2.6713 4.0107 4.0107 4.0107 4.0107 5.1063 5.1063 5.1063 5.1063 6.4992 6.4992 6.4992 6.4992 6.7157 6.7157 6.7157 6.7157 7.0074 7.0074 7.0074 7.0074 8.1958 8.1958 8.1958 8.1958 9.5838 9.5838 9.5838 9.5838 k = 0.0000 0.5000 0.0835 ( 10656 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5531 -3.5531 -3.5531 -3.5531 2.6487 2.6487 2.6487 2.6487 4.0433 4.0433 4.0433 4.0433 5.1060 5.1060 5.1060 5.1060 6.4982 6.4982 6.4982 6.4982 6.7057 6.7057 6.7057 6.7057 7.0061 7.0061 7.0061 7.0061 8.2244 8.2244 8.2244 8.2244 9.5908 9.5908 9.5908 9.5908 k = 0.0000 0.5000 0.0955 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5526 -3.5526 -3.5526 -3.5526 2.6247 2.6247 2.6247 2.6247 4.0785 4.0785 4.0785 4.0785 5.1057 5.1057 5.1057 5.1057 6.4971 6.4971 6.4971 6.4971 6.6946 6.6946 6.6946 6.6946 7.0048 7.0048 7.0048 7.0048 8.2568 8.2568 8.2568 8.2568 9.5986 9.5986 9.5986 9.5986 k = 0.0000 0.5000 0.1074 ( 10660 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5521 -3.5521 -3.5521 -3.5521 2.5999 2.5999 2.5999 2.5999 4.1156 4.1156 4.1156 4.1156 5.1054 5.1054 5.1054 5.1054 6.4958 6.4958 6.4958 6.4958 6.6826 6.6826 6.6826 6.6826 7.0035 7.0035 7.0035 7.0035 8.2928 8.2928 8.2928 8.2928 9.6071 9.6071 9.6071 9.6071 k = 0.0000 0.5000 0.1193 ( 10666 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5516 -3.5516 -3.5516 -3.5516 2.5747 2.5747 2.5747 2.5747 4.1540 4.1540 4.1540 4.1540 5.1050 5.1050 5.1050 5.1050 6.4944 6.4944 6.4944 6.4944 6.6699 6.6699 6.6699 6.6699 7.0023 7.0023 7.0023 7.0023 8.3321 8.3321 8.3321 8.3321 9.6161 9.6161 9.6161 9.6161 k = 0.0000 0.5000 0.1313 ( 10656 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5510 -3.5510 -3.5510 -3.5510 2.5496 2.5496 2.5496 2.5496 4.1930 4.1930 4.1930 4.1930 5.1047 5.1047 5.1047 5.1047 6.4927 6.4927 6.4927 6.4927 6.6569 6.6569 6.6569 6.6569 7.0012 7.0012 7.0012 7.0012 8.3744 8.3744 8.3744 8.3744 9.6257 9.6257 9.6257 9.6257 k = 0.0000 0.5000 0.1432 ( 10652 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5504 -3.5504 -3.5504 -3.5504 2.5249 2.5249 2.5249 2.5249 4.2321 4.2321 4.2321 4.2321 5.1043 5.1043 5.1043 5.1043 6.4908 6.4908 6.4908 6.4908 6.6436 6.6436 6.6436 6.6436 7.0001 7.0001 7.0001 7.0001 8.4195 8.4195 8.4195 8.4195 9.6355 9.6355 9.6355 9.6355 k = 0.0000 0.5000 0.1551 ( 10650 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5498 -3.5498 -3.5498 -3.5498 2.5010 2.5010 2.5010 2.5010 4.2707 4.2707 4.2707 4.2707 5.1039 5.1039 5.1039 5.1039 6.4887 6.4887 6.4887 6.4887 6.6305 6.6305 6.6305 6.6305 6.9992 6.9992 6.9992 6.9992 8.4670 8.4670 8.4670 8.4670 9.6456 9.6456 9.6456 9.6456 k = 0.0000 0.5000 0.1671 ( 10664 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5492 -3.5492 -3.5492 -3.5492 2.4782 2.4782 2.4782 2.4782 4.3083 4.3083 4.3083 4.3083 5.1036 5.1036 5.1036 5.1036 6.4863 6.4863 6.4863 6.4863 6.6177 6.6177 6.6177 6.6177 6.9983 6.9983 6.9983 6.9983 8.5164 8.5164 8.5164 8.5164 9.6556 9.6556 9.6556 9.6556 k = 0.0000 0.5000 0.1790 ( 10672 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5486 -3.5486 -3.5486 -3.5486 2.4567 2.4567 2.4567 2.4567 4.3445 4.3445 4.3445 4.3445 5.1032 5.1032 5.1032 5.1032 6.4836 6.4836 6.4836 6.4836 6.6054 6.6054 6.6054 6.6054 6.9975 6.9975 6.9975 6.9975 8.5672 8.5672 8.5672 8.5672 9.6656 9.6656 9.6656 9.6656 k = 0.0000 0.5000 0.1909 ( 10672 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5481 -3.5481 -3.5481 -3.5481 2.4366 2.4366 2.4366 2.4366 4.3788 4.3788 4.3788 4.3788 5.1029 5.1029 5.1029 5.1029 6.4806 6.4806 6.4806 6.4806 6.5940 6.5940 6.5940 6.5940 6.9968 6.9968 6.9968 6.9968 8.6189 8.6189 8.6189 8.6189 9.6752 9.6752 9.6752 9.6752 k = 0.0000 0.5000 0.2029 ( 10652 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5475 -3.5475 -3.5475 -3.5475 2.4183 2.4183 2.4183 2.4183 4.4108 4.4108 4.4108 4.4108 5.1026 5.1026 5.1026 5.1026 6.4773 6.4773 6.4773 6.4773 6.5837 6.5837 6.5837 6.5837 6.9962 6.9962 6.9962 6.9962 8.6707 8.6707 8.6707 8.6707 9.6843 9.6843 9.6843 9.6843 k = 0.0000 0.5000 0.2148 ( 10660 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5471 -3.5471 -3.5471 -3.5471 2.4018 2.4018 2.4018 2.4018 4.4400 4.4400 4.4400 4.4400 5.1023 5.1023 5.1023 5.1023 6.4737 6.4737 6.4737 6.4737 6.5746 6.5746 6.5746 6.5746 6.9957 6.9957 6.9957 6.9957 8.7216 8.7216 8.7216 8.7216 9.6929 9.6929 9.6929 9.6929 k = 0.0000 0.5000 0.2267 ( 10662 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5466 -3.5466 -3.5466 -3.5466 2.3872 2.3872 2.3872 2.3872 4.4661 4.4661 4.4661 4.4661 5.1021 5.1021 5.1021 5.1021 6.4700 6.4700 6.4700 6.4700 6.5668 6.5668 6.5668 6.5668 6.9953 6.9953 6.9953 6.9953 8.7706 8.7706 8.7706 8.7706 9.7007 9.7007 9.7007 9.7007 k = 0.0000 0.5000 0.2387 ( 10680 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5462 -3.5462 -3.5462 -3.5462 2.3747 2.3747 2.3747 2.3747 4.4889 4.4889 4.4889 4.4889 5.1019 5.1019 5.1019 5.1019 6.4663 6.4663 6.4663 6.4663 6.5604 6.5604 6.5604 6.5604 6.9949 6.9949 6.9949 6.9949 8.8163 8.8163 8.8163 8.8163 9.7076 9.7076 9.7076 9.7076 k = 0.0000 0.5000 0.2506 ( 10684 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5459 -3.5459 -3.5459 -3.5459 2.3644 2.3644 2.3644 2.3644 4.5079 4.5079 4.5079 4.5079 5.1017 5.1017 5.1017 5.1017 6.4629 6.4629 6.4629 6.4629 6.5553 6.5553 6.5553 6.5553 6.9946 6.9946 6.9946 6.9946 8.8572 8.8572 8.8572 8.8572 9.7134 9.7134 9.7134 9.7134 k = 0.0000 0.5000 0.2625 ( 10680 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5457 -3.5457 -3.5457 -3.5457 2.3563 2.3563 2.3563 2.3563 4.5230 4.5230 4.5230 4.5230 5.1015 5.1015 5.1015 5.1015 6.4599 6.4599 6.4599 6.4599 6.5514 6.5514 6.5514 6.5514 6.9944 6.9944 6.9944 6.9944 8.8916 8.8916 8.8916 8.8916 9.7181 9.7181 9.7181 9.7181 k = 0.0000 0.5000 0.2745 ( 10708 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5455 -3.5455 -3.5455 -3.5455 2.3505 2.3505 2.3505 2.3505 4.5339 4.5339 4.5339 4.5339 5.1014 5.1014 5.1014 5.1014 6.4576 6.4576 6.4576 6.4576 6.5488 6.5488 6.5488 6.5488 6.9943 6.9943 6.9943 6.9943 8.9177 8.9177 8.9177 8.9177 9.7215 9.7215 9.7215 9.7215 k = 0.0000 0.5000 0.2864 ( 10704 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5454 -3.5454 -3.5454 -3.5454 2.3470 2.3470 2.3470 2.3470 4.5405 4.5405 4.5405 4.5405 5.1014 5.1014 5.1014 5.1014 6.4561 6.4561 6.4561 6.4561 6.5472 6.5472 6.5472 6.5472 6.9942 6.9942 6.9942 6.9942 8.9341 8.9341 8.9341 8.9341 9.7236 9.7236 9.7236 9.7236 k = 0.0000 0.5000 0.2983 ( 10708 PWs) bands (ev): -38.5937 -38.5937 -38.5937 -38.5937 -3.5453 -3.5453 -3.5453 -3.5453 2.3458 2.3458 2.3458 2.3458 4.5427 4.5427 4.5427 4.5427 5.1014 5.1014 5.1014 5.1014 6.4556 6.4556 6.4556 6.4556 6.5467 6.5467 6.5467 6.5467 6.9941 6.9941 6.9941 6.9941 8.9397 8.9397 8.9397 8.9397 9.7243 9.7243 9.7243 9.7243 k = 0.5000 0.5000-0.0000 ( 10600 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2514 2.2514 2.2514 2.2514 4.5539 4.5539 4.5539 4.5539 5.0919 5.0919 5.0919 5.0919 5.7425 5.7425 5.7425 5.7425 5.8285 5.8285 5.8285 5.8285 7.1661 7.1661 7.1661 7.1661 7.5497 7.5497 7.5497 7.5497 8.4416 8.4416 8.4416 8.4416 k = 0.5000 0.5000 0.0119 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2524 2.2524 2.2524 2.2524 4.5507 4.5507 4.5507 4.5507 5.0918 5.0918 5.0918 5.0918 5.7425 5.7425 5.7425 5.7425 5.8296 5.8296 5.8296 5.8296 7.1653 7.1653 7.1653 7.1653 7.5497 7.5497 7.5497 7.5497 8.4440 8.4440 8.4440 8.4440 k = 0.5000 0.5000 0.0239 ( 10608 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2554 2.2554 2.2554 2.2554 4.5410 4.5410 4.5410 4.5410 5.0918 5.0918 5.0918 5.0918 5.7424 5.7424 5.7424 5.7424 5.8329 5.8329 5.8329 5.8329 7.1628 7.1628 7.1628 7.1628 7.5497 7.5497 7.5497 7.5497 8.4512 8.4512 8.4512 8.4512 k = 0.5000 0.5000 0.0358 ( 10624 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9145 -2.9145 -2.9145 -2.9145 2.2603 2.2603 2.2603 2.2603 4.5253 4.5253 4.5253 4.5253 5.0918 5.0918 5.0918 5.0918 5.7423 5.7423 5.7423 5.7423 5.8382 5.8382 5.8382 5.8382 7.1588 7.1588 7.1588 7.1588 7.5497 7.5497 7.5497 7.5497 8.4628 8.4628 8.4628 8.4628 k = 0.5000 0.5000 0.0477 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9146 -2.9146 -2.9146 -2.9146 2.2671 2.2671 2.2671 2.2671 4.5037 4.5037 4.5037 4.5037 5.0918 5.0918 5.0918 5.0918 5.7421 5.7421 5.7421 5.7421 5.8453 5.8453 5.8453 5.8453 7.1534 7.1534 7.1534 7.1534 7.5497 7.5497 7.5497 7.5497 8.4785 8.4785 8.4785 8.4785 k = 0.5000 0.5000 0.0597 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9147 -2.9147 -2.9147 -2.9147 2.2758 2.2758 2.2758 2.2758 4.4768 4.4768 4.4768 4.4768 5.0919 5.0919 5.0919 5.0919 5.7418 5.7418 5.7418 5.7418 5.8539 5.8539 5.8539 5.8539 7.1468 7.1468 7.1468 7.1468 7.5498 7.5498 7.5498 7.5498 8.4979 8.4979 8.4979 8.4979 k = 0.5000 0.5000 0.0716 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9148 -2.9148 -2.9148 -2.9148 2.2863 2.2863 2.2863 2.2863 4.4451 4.4451 4.4451 4.4451 5.0920 5.0920 5.0920 5.0920 5.7415 5.7415 5.7415 5.7415 5.8637 5.8637 5.8637 5.8637 7.1393 7.1393 7.1393 7.1393 7.5498 7.5498 7.5498 7.5498 8.5204 8.5204 8.5204 8.5204 k = 0.5000 0.5000 0.0835 ( 10640 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9149 -2.9149 -2.9149 -2.9149 2.2986 2.2986 2.2986 2.2986 4.4092 4.4092 4.4092 4.4092 5.0922 5.0922 5.0922 5.0922 5.7411 5.7411 5.7411 5.7411 5.8743 5.8743 5.8743 5.8743 7.1311 7.1311 7.1311 7.1311 7.5498 7.5498 7.5498 7.5498 8.5453 8.5453 8.5453 8.5453 k = 0.5000 0.5000 0.0955 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9150 -2.9150 -2.9150 -2.9150 2.3126 2.3126 2.3126 2.3126 4.3698 4.3698 4.3698 4.3698 5.0924 5.0924 5.0924 5.0924 5.7406 5.7406 5.7406 5.7406 5.8855 5.8855 5.8855 5.8855 7.1225 7.1225 7.1225 7.1225 7.5498 7.5498 7.5498 7.5498 8.5721 8.5721 8.5721 8.5721 k = 0.5000 0.5000 0.1074 ( 10624 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9151 -2.9151 -2.9151 -2.9151 2.3282 2.3282 2.3282 2.3282 4.3276 4.3276 4.3276 4.3276 5.0928 5.0928 5.0928 5.0928 5.7400 5.7400 5.7400 5.7400 5.8969 5.8969 5.8969 5.8969 7.1136 7.1136 7.1136 7.1136 7.5498 7.5498 7.5498 7.5498 8.6001 8.6001 8.6001 8.6001 k = 0.5000 0.5000 0.1193 ( 10628 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9153 -2.9153 -2.9153 -2.9153 2.3452 2.3452 2.3452 2.3452 4.2830 4.2830 4.2830 4.2830 5.0932 5.0932 5.0932 5.0932 5.7395 5.7395 5.7395 5.7395 5.9084 5.9084 5.9084 5.9084 7.1046 7.1046 7.1046 7.1046 7.5498 7.5498 7.5498 7.5498 8.6287 8.6287 8.6287 8.6287 k = 0.5000 0.5000 0.1313 ( 10644 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9154 -2.9154 -2.9154 -2.9154 2.3636 2.3636 2.3636 2.3636 4.2368 4.2368 4.2368 4.2368 5.0936 5.0936 5.0936 5.0936 5.7388 5.7388 5.7388 5.7388 5.9197 5.9197 5.9197 5.9197 7.0958 7.0958 7.0958 7.0958 7.5498 7.5498 7.5498 7.5498 8.6573 8.6573 8.6573 8.6573 k = 0.5000 0.5000 0.1432 ( 10616 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9156 -2.9156 -2.9156 -2.9156 2.3830 2.3830 2.3830 2.3830 4.1896 4.1896 4.1896 4.1896 5.0942 5.0942 5.0942 5.0942 5.7382 5.7382 5.7382 5.7382 5.9306 5.9306 5.9306 5.9306 7.0872 7.0872 7.0872 7.0872 7.5498 7.5498 7.5498 7.5498 8.6855 8.6855 8.6855 8.6855 k = 0.5000 0.5000 0.1551 ( 10632 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9157 -2.9157 -2.9157 -2.9157 2.4035 2.4035 2.4035 2.4035 4.1421 4.1421 4.1421 4.1421 5.0947 5.0947 5.0947 5.0947 5.7375 5.7375 5.7375 5.7375 5.9410 5.9410 5.9410 5.9410 7.0789 7.0789 7.0789 7.0789 7.5498 7.5498 7.5498 7.5498 8.7127 8.7127 8.7127 8.7127 k = 0.5000 0.5000 0.1671 ( 10648 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9159 -2.9159 -2.9159 -2.9159 2.4246 2.4246 2.4246 2.4246 4.0947 4.0947 4.0947 4.0947 5.0953 5.0953 5.0953 5.0953 5.7369 5.7369 5.7369 5.7369 5.9508 5.9508 5.9508 5.9508 7.0711 7.0711 7.0711 7.0711 7.5498 7.5498 7.5498 7.5498 8.7387 8.7387 8.7387 8.7387 k = 0.5000 0.5000 0.1790 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9160 -2.9160 -2.9160 -2.9160 2.4462 2.4462 2.4462 2.4462 4.0482 4.0482 4.0482 4.0482 5.0959 5.0959 5.0959 5.0959 5.7362 5.7362 5.7362 5.7362 5.9599 5.9599 5.9599 5.9599 7.0639 7.0639 7.0639 7.0639 7.5498 7.5498 7.5498 7.5498 8.7631 8.7631 8.7631 8.7631 k = 0.5000 0.5000 0.1909 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9162 -2.9162 -2.9162 -2.9162 2.4678 2.4678 2.4678 2.4678 4.0031 4.0031 4.0031 4.0031 5.0965 5.0965 5.0965 5.0965 5.7356 5.7356 5.7356 5.7356 5.9682 5.9682 5.9682 5.9682 7.0572 7.0572 7.0572 7.0572 7.5498 7.5498 7.5498 7.5498 8.7856 8.7856 8.7856 8.7856 k = 0.5000 0.5000 0.2029 ( 10648 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9163 -2.9163 -2.9163 -2.9163 2.4892 2.4892 2.4892 2.4892 3.9601 3.9601 3.9601 3.9601 5.0970 5.0970 5.0970 5.0970 5.7350 5.7350 5.7350 5.7350 5.9758 5.9758 5.9758 5.9758 7.0512 7.0512 7.0512 7.0512 7.5498 7.5498 7.5498 7.5498 8.8061 8.8061 8.8061 8.8061 k = 0.5000 0.5000 0.2148 ( 10644 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9164 -2.9164 -2.9164 -2.9164 2.5099 2.5099 2.5099 2.5099 3.9199 3.9199 3.9199 3.9199 5.0976 5.0976 5.0976 5.0976 5.7345 5.7345 5.7345 5.7345 5.9825 5.9825 5.9825 5.9825 7.0458 7.0458 7.0458 7.0458 7.5498 7.5498 7.5498 7.5498 8.8244 8.8244 8.8244 8.8244 k = 0.5000 0.5000 0.2267 ( 10644 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9165 -2.9165 -2.9165 -2.9165 2.5294 2.5294 2.5294 2.5294 3.8831 3.8831 3.8831 3.8831 5.0980 5.0980 5.0980 5.0980 5.7340 5.7340 5.7340 5.7340 5.9883 5.9883 5.9883 5.9883 7.0411 7.0411 7.0411 7.0411 7.5498 7.5498 7.5498 7.5498 8.8403 8.8403 8.8403 8.8403 k = 0.5000 0.5000 0.2387 ( 10624 PWs) bands (ev): -38.5931 -38.5931 -38.5931 -38.5931 -2.9166 -2.9166 -2.9166 -2.9166 2.5472 2.5472 2.5472 2.5472 3.8503 3.8503 3.8503 3.8503 5.0985 5.0985 5.0985 5.0985 5.7335 5.7335 5.7335 5.7335 5.9932 5.9932 5.9932 5.9932 7.0371 7.0371 7.0371 7.0371 7.5498 7.5498 7.5498 7.5498 8.8539 8.8539 8.8539 8.8539 k = 0.5000 0.5000 0.2506 ( 10636 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9167 -2.9167 -2.9167 -2.9167 2.5628 2.5628 2.5628 2.5628 3.8223 3.8223 3.8223 3.8223 5.0988 5.0988 5.0988 5.0988 5.7332 5.7332 5.7332 5.7332 5.9973 5.9973 5.9973 5.9973 7.0339 7.0339 7.0339 7.0339 7.5498 7.5498 7.5498 7.5498 8.8651 8.8651 8.8651 8.8651 k = 0.5000 0.5000 0.2625 ( 10660 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9168 -2.9168 -2.9168 -2.9168 2.5756 2.5756 2.5756 2.5756 3.7997 3.7997 3.7997 3.7997 5.0991 5.0991 5.0991 5.0991 5.7329 5.7329 5.7329 5.7329 6.0004 6.0004 6.0004 6.0004 7.0313 7.0313 7.0313 7.0313 7.5498 7.5498 7.5498 7.5498 8.8738 8.8738 8.8738 8.8738 k = 0.5000 0.5000 0.2745 ( 10648 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9168 -2.9168 -2.9168 -2.9168 2.5852 2.5852 2.5852 2.5852 3.7831 3.7831 3.7831 3.7831 5.0993 5.0993 5.0993 5.0993 5.7327 5.7327 5.7327 5.7327 6.0027 6.0027 6.0027 6.0027 7.0295 7.0295 7.0295 7.0295 7.5498 7.5498 7.5498 7.5498 8.8800 8.8800 8.8800 8.8800 k = 0.5000 0.5000 0.2864 ( 10648 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9169 -2.9169 -2.9169 -2.9169 2.5911 2.5911 2.5911 2.5911 3.7730 3.7730 3.7730 3.7730 5.0995 5.0995 5.0995 5.0995 5.7325 5.7325 5.7325 5.7325 6.0040 6.0040 6.0040 6.0040 7.0284 7.0284 7.0284 7.0284 7.5498 7.5498 7.5498 7.5498 8.8838 8.8838 8.8838 8.8838 k = 0.5000 0.5000 0.2983 ( 10656 PWs) bands (ev): -38.5932 -38.5932 -38.5932 -38.5932 -2.9169 -2.9169 -2.9169 -2.9169 2.5931 2.5931 2.5931 2.5931 3.7695 3.7695 3.7695 3.7695 5.0995 5.0995 5.0995 5.0995 5.7325 5.7325 5.7325 5.7325 6.0045 6.0045 6.0045 6.0045 7.0280 7.0280 7.0280 7.0280 7.5498 7.5498 7.5498 7.5498 8.8850 8.8850 8.8850 8.8850 Writing output data file LiFeAs.save init_run : 0.96s CPU 1.06s WALL ( 1 calls) electrons : 183.45s CPU 185.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 183.44s CPU 185.77s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.16s WALL ( 370 calls) cegterg : 156.24s CPU 157.72s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 123.09s CPU 124.32s WALL ( 5296 calls) s_psi : 5.10s CPU 5.03s WALL ( 5296 calls) g_psi : 0.48s CPU 0.46s WALL ( 4556 calls) cdiaghg : 26.96s CPU 27.23s WALL ( 4926 calls) cegterg:over : 7.94s CPU 7.99s WALL ( 4556 calls) cegterg:upda : 7.79s CPU 7.90s WALL ( 4556 calls) cegterg:last : 4.06s CPU 4.02s WALL ( 1118 calls) cdiaghg:chol : 1.71s CPU 1.63s WALL ( 4926 calls) cdiaghg:inve : 0.91s CPU 0.88s WALL ( 4926 calls) cdiaghg:para : 1.39s CPU 1.57s WALL ( 9852 calls) Called by h_psi: h_psi:vloc : 110.86s CPU 112.02s WALL ( 5296 calls) h_psi:vnl : 11.82s CPU 11.86s WALL ( 5296 calls) add_vuspsi : 5.60s CPU 5.59s WALL ( 5296 calls) General routines calbec : 6.19s CPU 6.25s WALL ( 5296 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 105.06s CPU 105.96s WALL ( 651240 calls) davcio : 0.31s CPU 0.43s WALL ( 740 calls) Parallel routines fft_scatter : 36.87s CPU 37.00s WALL ( 651255 calls) PWSCF : 3m29.83s CPU 3m46.48s WALL This run was terminated on: 13:10:50 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=