Program PWSCF v.5.4.0 starts on 22Mar2017 at 0:24:35 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./IClO.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 10 3 1062 460 73 Max 19 11 4 1070 487 81 Sum 1307 765 229 76785 34027 5541 bravais-lattice index = 14 lattice parameter (alat) = 6.6575 a.u. unit-cell volume = 780.8742 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.657505 celldm(2)= 1.153846 celldm(3)= 2.293500 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 1.153846 0.000000 ) a(3) = ( 0.000000 0.000000 2.293500 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.866667 -0.000000 ) b(3) = ( 0.000000 0.000000 0.436015 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 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 = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0023364 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0023364 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0023364 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0023364 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0023364 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0023364 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0023364 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0023364 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0023364 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0023364 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0023364 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0023364 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0023364 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0023364 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0023364 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0023364 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0023364 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0023364 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0023364 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023364 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0023364 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0023364 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0023364 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0023364 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0023364 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0023364 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0023364 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0023364 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0023364 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0023364 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0023364 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0023364 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0023364 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 48) = ( 0.5000000 0.0111111 -0.0000000), wk = 0.0023364 k( 49) = ( 0.5000000 0.0222222 -0.0000000), wk = 0.0023364 k( 50) = ( 0.5000000 0.0333333 -0.0000000), wk = 0.0023364 k( 51) = ( 0.5000000 0.0444444 -0.0000000), wk = 0.0023364 k( 52) = ( 0.5000000 0.0555556 -0.0000000), wk = 0.0023364 k( 53) = ( 0.5000000 0.0666667 -0.0000000), wk = 0.0023364 k( 54) = ( 0.5000000 0.0777778 -0.0000000), wk = 0.0023364 k( 55) = ( 0.5000000 0.0888889 -0.0000000), wk = 0.0023364 k( 56) = ( 0.5000000 0.1000000 -0.0000000), wk = 0.0023364 k( 57) = ( 0.5000000 0.1111111 -0.0000000), wk = 0.0023364 k( 58) = ( 0.5000000 0.1222222 -0.0000000), wk = 0.0023364 k( 59) = ( 0.5000000 0.1333333 -0.0000000), wk = 0.0023364 k( 60) = ( 0.5000000 0.1444444 -0.0000000), wk = 0.0023364 k( 61) = ( 0.5000000 0.1555556 -0.0000000), wk = 0.0023364 k( 62) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0023364 k( 63) = ( 0.5000000 0.1777778 -0.0000000), wk = 0.0023364 k( 64) = ( 0.5000000 0.1888889 -0.0000000), wk = 0.0023364 k( 65) = ( 0.5000000 0.2000000 -0.0000000), wk = 0.0023364 k( 66) = ( 0.5000000 0.2111111 -0.0000000), wk = 0.0023364 k( 67) = ( 0.5000000 0.2222222 -0.0000000), wk = 0.0023364 k( 68) = ( 0.5000000 0.2333333 -0.0000000), wk = 0.0023364 k( 69) = ( 0.5000000 0.2444444 -0.0000000), wk = 0.0023364 k( 70) = ( 0.5000000 0.2555556 -0.0000000), wk = 0.0023364 k( 71) = ( 0.5000000 0.2666667 -0.0000000), wk = 0.0023364 k( 72) = ( 0.5000000 0.2777778 -0.0000000), wk = 0.0023364 k( 73) = ( 0.5000000 0.2888889 -0.0000000), wk = 0.0023364 k( 74) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0023364 k( 75) = ( 0.5000000 0.3111111 -0.0000000), wk = 0.0023364 k( 76) = ( 0.5000000 0.3222222 -0.0000000), wk = 0.0023364 k( 77) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023364 k( 78) = ( 0.5000000 0.3444444 -0.0000000), wk = 0.0023364 k( 79) = ( 0.5000000 0.3555556 -0.0000000), wk = 0.0023364 k( 80) = ( 0.5000000 0.3666667 -0.0000000), wk = 0.0023364 k( 81) = ( 0.5000000 0.3777778 -0.0000000), wk = 0.0023364 k( 82) = ( 0.5000000 0.3888889 -0.0000000), wk = 0.0023364 k( 83) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0023364 k( 84) = ( 0.5000000 0.4111111 -0.0000000), wk = 0.0023364 k( 85) = ( 0.5000000 0.4222222 -0.0000000), wk = 0.0023364 k( 86) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0023364 k( 87) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0023364 k( 88) = ( 0.4888889 0.4333333 -0.0000000), wk = 0.0023364 k( 89) = ( 0.4777778 0.4333333 -0.0000000), wk = 0.0023364 k( 90) = ( 0.4666667 0.4333333 -0.0000000), wk = 0.0023364 k( 91) = ( 0.4555556 0.4333333 -0.0000000), wk = 0.0023364 k( 92) = ( 0.4444444 0.4333333 -0.0000000), wk = 0.0023364 k( 93) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0023364 k( 94) = ( 0.4222222 0.4333333 -0.0000000), wk = 0.0023364 k( 95) = ( 0.4111111 0.4333333 -0.0000000), wk = 0.0023364 k( 96) = ( 0.4000000 0.4333333 -0.0000000), wk = 0.0023364 k( 97) = ( 0.3888889 0.4333333 -0.0000000), wk = 0.0023364 k( 98) = ( 0.3777778 0.4333333 -0.0000000), wk = 0.0023364 k( 99) = ( 0.3666667 0.4333333 -0.0000000), wk = 0.0023364 k( 100) = ( 0.3555556 0.4333333 -0.0000000), wk = 0.0023364 k( 101) = ( 0.3444444 0.4333333 -0.0000000), wk = 0.0023364 k( 102) = ( 0.3333333 0.4333333 -0.0000000), wk = 0.0023364 k( 103) = ( 0.3222222 0.4333333 -0.0000000), wk = 0.0023364 k( 104) = ( 0.3111111 0.4333333 -0.0000000), wk = 0.0023364 k( 105) = ( 0.3000000 0.4333333 -0.0000000), wk = 0.0023364 k( 106) = ( 0.2888889 0.4333333 -0.0000000), wk = 0.0023364 k( 107) = ( 0.2777778 0.4333333 -0.0000000), wk = 0.0023364 k( 108) = ( 0.2666667 0.4333333 -0.0000000), wk = 0.0023364 k( 109) = ( 0.2555556 0.4333333 -0.0000000), wk = 0.0023364 k( 110) = ( 0.2444444 0.4333333 -0.0000000), wk = 0.0023364 k( 111) = ( 0.2333333 0.4333333 -0.0000000), wk = 0.0023364 k( 112) = ( 0.2222222 0.4333333 -0.0000000), wk = 0.0023364 k( 113) = ( 0.2111111 0.4333333 -0.0000000), wk = 0.0023364 k( 114) = ( 0.2000000 0.4333333 -0.0000000), wk = 0.0023364 k( 115) = ( 0.1888889 0.4333333 -0.0000000), wk = 0.0023364 k( 116) = ( 0.1777778 0.4333333 -0.0000000), wk = 0.0023364 k( 117) = ( 0.1666667 0.4333333 -0.0000000), wk = 0.0023364 k( 118) = ( 0.1555556 0.4333333 -0.0000000), wk = 0.0023364 k( 119) = ( 0.1444444 0.4333333 -0.0000000), wk = 0.0023364 k( 120) = ( 0.1333333 0.4333333 -0.0000000), wk = 0.0023364 k( 121) = ( 0.1222222 0.4333333 -0.0000000), wk = 0.0023364 k( 122) = ( 0.1111111 0.4333333 -0.0000000), wk = 0.0023364 k( 123) = ( 0.1000000 0.4333333 -0.0000000), wk = 0.0023364 k( 124) = ( 0.0888889 0.4333333 -0.0000000), wk = 0.0023364 k( 125) = ( 0.0777778 0.4333333 -0.0000000), wk = 0.0023364 k( 126) = ( 0.0666667 0.4333333 -0.0000000), wk = 0.0023364 k( 127) = ( 0.0555556 0.4333333 -0.0000000), wk = 0.0023364 k( 128) = ( 0.0444444 0.4333333 -0.0000000), wk = 0.0023364 k( 129) = ( 0.0333333 0.4333333 -0.0000000), wk = 0.0023364 k( 130) = ( 0.0222222 0.4333333 -0.0000000), wk = 0.0023364 k( 131) = ( 0.0111111 0.4333333 -0.0000000), wk = 0.0023364 k( 132) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023364 k( 133) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023364 k( 134) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0023364 k( 135) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023364 k( 136) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023364 k( 137) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023364 k( 138) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023364 k( 139) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023364 k( 140) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023364 k( 141) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0023364 k( 142) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023364 k( 143) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0023364 k( 144) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0023364 k( 145) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023364 k( 146) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0023364 k( 147) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023364 k( 148) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023364 k( 149) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0023364 k( 150) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023364 k( 151) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0023364 k( 152) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023364 k( 153) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0023364 k( 154) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023364 k( 155) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023364 k( 156) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023364 k( 157) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023364 k( 158) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0023364 k( 159) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0023364 k( 160) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0023364 k( 161) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023364 k( 162) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023364 k( 163) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023364 k( 164) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023364 k( 165) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0023364 k( 166) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0023364 k( 167) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023364 k( 168) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023364 k( 169) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0023364 k( 170) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023364 k( 171) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.0109004), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.0218007), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.0327011), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.0436015), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.0545019), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.0654022), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.0763026), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.0872030), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.0981033), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.1090037), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.1199041), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.1308045), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.1417048), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.1526052), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.1635056), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.1744059), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.1853063), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.1962067), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.2071071), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.2180074), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.2180074), wk = 0.0023364 k( 195) = ( 0.0111111 -0.0000000 0.2180074), wk = 0.0023364 k( 196) = ( 0.0222222 -0.0000000 0.2180074), wk = 0.0023364 k( 197) = ( 0.0333333 -0.0000000 0.2180074), wk = 0.0023364 k( 198) = ( 0.0444444 -0.0000000 0.2180074), wk = 0.0023364 k( 199) = ( 0.0555556 -0.0000000 0.2180074), wk = 0.0023364 k( 200) = ( 0.0666667 -0.0000000 0.2180074), wk = 0.0023364 k( 201) = ( 0.0777778 -0.0000000 0.2180074), wk = 0.0023364 k( 202) = ( 0.0888889 -0.0000000 0.2180074), wk = 0.0023364 k( 203) = ( 0.1000000 -0.0000000 0.2180074), wk = 0.0023364 k( 204) = ( 0.1111111 -0.0000000 0.2180074), wk = 0.0023364 k( 205) = ( 0.1222222 -0.0000000 0.2180074), wk = 0.0023364 k( 206) = ( 0.1333333 -0.0000000 0.2180074), wk = 0.0023364 k( 207) = ( 0.1444444 -0.0000000 0.2180074), wk = 0.0023364 k( 208) = ( 0.1555556 -0.0000000 0.2180074), wk = 0.0023364 k( 209) = ( 0.1666667 -0.0000000 0.2180074), wk = 0.0023364 k( 210) = ( 0.1777778 -0.0000000 0.2180074), wk = 0.0023364 k( 211) = ( 0.1888889 -0.0000000 0.2180074), wk = 0.0023364 k( 212) = ( 0.2000000 -0.0000000 0.2180074), wk = 0.0023364 k( 213) = ( 0.2111111 -0.0000000 0.2180074), wk = 0.0023364 k( 214) = ( 0.2222222 -0.0000000 0.2180074), wk = 0.0023364 k( 215) = ( 0.2333333 -0.0000000 0.2180074), wk = 0.0023364 k( 216) = ( 0.2444444 -0.0000000 0.2180074), wk = 0.0023364 k( 217) = ( 0.2555556 -0.0000000 0.2180074), wk = 0.0023364 k( 218) = ( 0.2666667 -0.0000000 0.2180074), wk = 0.0023364 k( 219) = ( 0.2777778 -0.0000000 0.2180074), wk = 0.0023364 k( 220) = ( 0.2888889 -0.0000000 0.2180074), wk = 0.0023364 k( 221) = ( 0.3000000 -0.0000000 0.2180074), wk = 0.0023364 k( 222) = ( 0.3111111 -0.0000000 0.2180074), wk = 0.0023364 k( 223) = ( 0.3222222 -0.0000000 0.2180074), wk = 0.0023364 k( 224) = ( 0.3333333 -0.0000000 0.2180074), wk = 0.0023364 k( 225) = ( 0.3444444 -0.0000000 0.2180074), wk = 0.0023364 k( 226) = ( 0.3555556 -0.0000000 0.2180074), wk = 0.0023364 k( 227) = ( 0.3666667 -0.0000000 0.2180074), wk = 0.0023364 k( 228) = ( 0.3777778 -0.0000000 0.2180074), wk = 0.0023364 k( 229) = ( 0.3888889 -0.0000000 0.2180074), wk = 0.0023364 k( 230) = ( 0.4000000 -0.0000000 0.2180074), wk = 0.0023364 k( 231) = ( 0.4111111 -0.0000000 0.2180074), wk = 0.0023364 k( 232) = ( 0.4222222 -0.0000000 0.2180074), wk = 0.0023364 k( 233) = ( 0.4333333 -0.0000000 0.2180074), wk = 0.0023364 k( 234) = ( 0.4444444 -0.0000000 0.2180074), wk = 0.0023364 k( 235) = ( 0.4555556 -0.0000000 0.2180074), wk = 0.0023364 k( 236) = ( 0.4666667 -0.0000000 0.2180074), wk = 0.0023364 k( 237) = ( 0.4777778 -0.0000000 0.2180074), wk = 0.0023364 k( 238) = ( 0.4888889 -0.0000000 0.2180074), wk = 0.0023364 k( 239) = ( 0.5000000 -0.0000000 0.2180074), wk = 0.0023364 k( 240) = ( 0.5000000 -0.0000000 0.2180074), wk = 0.0023364 k( 241) = ( 0.5000000 0.0111111 0.2180074), wk = 0.0023364 k( 242) = ( 0.5000000 0.0222222 0.2180074), wk = 0.0023364 k( 243) = ( 0.5000000 0.0333333 0.2180074), wk = 0.0023364 k( 244) = ( 0.5000000 0.0444444 0.2180074), wk = 0.0023364 k( 245) = ( 0.5000000 0.0555556 0.2180074), wk = 0.0023364 k( 246) = ( 0.5000000 0.0666667 0.2180074), wk = 0.0023364 k( 247) = ( 0.5000000 0.0777778 0.2180074), wk = 0.0023364 k( 248) = ( 0.5000000 0.0888889 0.2180074), wk = 0.0023364 k( 249) = ( 0.5000000 0.1000000 0.2180074), wk = 0.0023364 k( 250) = ( 0.5000000 0.1111111 0.2180074), wk = 0.0023364 k( 251) = ( 0.5000000 0.1222222 0.2180074), wk = 0.0023364 k( 252) = ( 0.5000000 0.1333333 0.2180074), wk = 0.0023364 k( 253) = ( 0.5000000 0.1444444 0.2180074), wk = 0.0023364 k( 254) = ( 0.5000000 0.1555556 0.2180074), wk = 0.0023364 k( 255) = ( 0.5000000 0.1666667 0.2180074), wk = 0.0023364 k( 256) = ( 0.5000000 0.1777778 0.2180074), wk = 0.0023364 k( 257) = ( 0.5000000 0.1888889 0.2180074), wk = 0.0023364 k( 258) = ( 0.5000000 0.2000000 0.2180074), wk = 0.0023364 k( 259) = ( 0.5000000 0.2111111 0.2180074), wk = 0.0023364 k( 260) = ( 0.5000000 0.2222222 0.2180074), wk = 0.0023364 k( 261) = ( 0.5000000 0.2333333 0.2180074), wk = 0.0023364 k( 262) = ( 0.5000000 0.2444444 0.2180074), wk = 0.0023364 k( 263) = ( 0.5000000 0.2555556 0.2180074), wk = 0.0023364 k( 264) = ( 0.5000000 0.2666667 0.2180074), wk = 0.0023364 k( 265) = ( 0.5000000 0.2777778 0.2180074), wk = 0.0023364 k( 266) = ( 0.5000000 0.2888889 0.2180074), wk = 0.0023364 k( 267) = ( 0.5000000 0.3000000 0.2180074), wk = 0.0023364 k( 268) = ( 0.5000000 0.3111111 0.2180074), wk = 0.0023364 k( 269) = ( 0.5000000 0.3222222 0.2180074), wk = 0.0023364 k( 270) = ( 0.5000000 0.3333333 0.2180074), wk = 0.0023364 k( 271) = ( 0.5000000 0.3444444 0.2180074), wk = 0.0023364 k( 272) = ( 0.5000000 0.3555556 0.2180074), wk = 0.0023364 k( 273) = ( 0.5000000 0.3666667 0.2180074), wk = 0.0023364 k( 274) = ( 0.5000000 0.3777778 0.2180074), wk = 0.0023364 k( 275) = ( 0.5000000 0.3888889 0.2180074), wk = 0.0023364 k( 276) = ( 0.5000000 0.4000000 0.2180074), wk = 0.0023364 k( 277) = ( 0.5000000 0.4111111 0.2180074), wk = 0.0023364 k( 278) = ( 0.5000000 0.4222222 0.2180074), wk = 0.0023364 k( 279) = ( 0.5000000 0.4333333 0.2180074), wk = 0.0023364 k( 280) = ( 0.5000000 0.4333333 0.2180074), wk = 0.0023364 k( 281) = ( 0.4888889 0.4333333 0.2180074), wk = 0.0023364 k( 282) = ( 0.4777778 0.4333333 0.2180074), wk = 0.0023364 k( 283) = ( 0.4666667 0.4333333 0.2180074), wk = 0.0023364 k( 284) = ( 0.4555556 0.4333333 0.2180074), wk = 0.0023364 k( 285) = ( 0.4444444 0.4333333 0.2180074), wk = 0.0023364 k( 286) = ( 0.4333333 0.4333333 0.2180074), wk = 0.0023364 k( 287) = ( 0.4222222 0.4333333 0.2180074), wk = 0.0023364 k( 288) = ( 0.4111111 0.4333333 0.2180074), wk = 0.0023364 k( 289) = ( 0.4000000 0.4333333 0.2180074), wk = 0.0023364 k( 290) = ( 0.3888889 0.4333333 0.2180074), wk = 0.0023364 k( 291) = ( 0.3777778 0.4333333 0.2180074), wk = 0.0023364 k( 292) = ( 0.3666667 0.4333333 0.2180074), wk = 0.0023364 k( 293) = ( 0.3555556 0.4333333 0.2180074), wk = 0.0023364 k( 294) = ( 0.3444444 0.4333333 0.2180074), wk = 0.0023364 k( 295) = ( 0.3333333 0.4333333 0.2180074), wk = 0.0023364 k( 296) = ( 0.3222222 0.4333333 0.2180074), wk = 0.0023364 k( 297) = ( 0.3111111 0.4333333 0.2180074), wk = 0.0023364 k( 298) = ( 0.3000000 0.4333333 0.2180074), wk = 0.0023364 k( 299) = ( 0.2888889 0.4333333 0.2180074), wk = 0.0023364 k( 300) = ( 0.2777778 0.4333333 0.2180074), wk = 0.0023364 k( 301) = ( 0.2666667 0.4333333 0.2180074), wk = 0.0023364 k( 302) = ( 0.2555556 0.4333333 0.2180074), wk = 0.0023364 k( 303) = ( 0.2444444 0.4333333 0.2180074), wk = 0.0023364 k( 304) = ( 0.2333333 0.4333333 0.2180074), wk = 0.0023364 k( 305) = ( 0.2222222 0.4333333 0.2180074), wk = 0.0023364 k( 306) = ( 0.2111111 0.4333333 0.2180074), wk = 0.0023364 k( 307) = ( 0.2000000 0.4333333 0.2180074), wk = 0.0023364 k( 308) = ( 0.1888889 0.4333333 0.2180074), wk = 0.0023364 k( 309) = ( 0.1777778 0.4333333 0.2180074), wk = 0.0023364 k( 310) = ( 0.1666667 0.4333333 0.2180074), wk = 0.0023364 k( 311) = ( 0.1555556 0.4333333 0.2180074), wk = 0.0023364 k( 312) = ( 0.1444444 0.4333333 0.2180074), wk = 0.0023364 k( 313) = ( 0.1333333 0.4333333 0.2180074), wk = 0.0023364 k( 314) = ( 0.1222222 0.4333333 0.2180074), wk = 0.0023364 k( 315) = ( 0.1111111 0.4333333 0.2180074), wk = 0.0023364 k( 316) = ( 0.1000000 0.4333333 0.2180074), wk = 0.0023364 k( 317) = ( 0.0888889 0.4333333 0.2180074), wk = 0.0023364 k( 318) = ( 0.0777778 0.4333333 0.2180074), wk = 0.0023364 k( 319) = ( 0.0666667 0.4333333 0.2180074), wk = 0.0023364 k( 320) = ( 0.0555556 0.4333333 0.2180074), wk = 0.0023364 k( 321) = ( 0.0444444 0.4333333 0.2180074), wk = 0.0023364 k( 322) = ( 0.0333333 0.4333333 0.2180074), wk = 0.0023364 k( 323) = ( 0.0222222 0.4333333 0.2180074), wk = 0.0023364 k( 324) = ( 0.0111111 0.4333333 0.2180074), wk = 0.0023364 k( 325) = ( 0.0000000 0.4333333 0.2180074), wk = 0.0023364 k( 326) = ( 0.0000000 0.4333333 0.2180074), wk = 0.0023364 k( 327) = ( 0.0000000 0.4222222 0.2180074), wk = 0.0023364 k( 328) = ( 0.0000000 0.4111111 0.2180074), wk = 0.0023364 k( 329) = ( 0.0000000 0.4000000 0.2180074), wk = 0.0023364 k( 330) = ( 0.0000000 0.3888889 0.2180074), wk = 0.0023364 k( 331) = ( 0.0000000 0.3777778 0.2180074), wk = 0.0023364 k( 332) = ( 0.0000000 0.3666667 0.2180074), wk = 0.0023364 k( 333) = ( 0.0000000 0.3555556 0.2180074), wk = 0.0023364 k( 334) = ( 0.0000000 0.3444444 0.2180074), wk = 0.0023364 k( 335) = ( 0.0000000 0.3333333 0.2180074), wk = 0.0023364 k( 336) = ( 0.0000000 0.3222222 0.2180074), wk = 0.0023364 k( 337) = ( 0.0000000 0.3111111 0.2180074), wk = 0.0023364 k( 338) = ( 0.0000000 0.3000000 0.2180074), wk = 0.0023364 k( 339) = ( 0.0000000 0.2888889 0.2180074), wk = 0.0023364 k( 340) = ( 0.0000000 0.2777778 0.2180074), wk = 0.0023364 k( 341) = ( 0.0000000 0.2666667 0.2180074), wk = 0.0023364 k( 342) = ( 0.0000000 0.2555556 0.2180074), wk = 0.0023364 k( 343) = ( 0.0000000 0.2444444 0.2180074), wk = 0.0023364 k( 344) = ( 0.0000000 0.2333333 0.2180074), wk = 0.0023364 k( 345) = ( 0.0000000 0.2222222 0.2180074), wk = 0.0023364 k( 346) = ( 0.0000000 0.2111111 0.2180074), wk = 0.0023364 k( 347) = ( 0.0000000 0.2000000 0.2180074), wk = 0.0023364 k( 348) = ( 0.0000000 0.1888889 0.2180074), wk = 0.0023364 k( 349) = ( 0.0000000 0.1777778 0.2180074), wk = 0.0023364 k( 350) = ( 0.0000000 0.1666667 0.2180074), wk = 0.0023364 k( 351) = ( 0.0000000 0.1555556 0.2180074), wk = 0.0023364 k( 352) = ( 0.0000000 0.1444444 0.2180074), wk = 0.0023364 k( 353) = ( 0.0000000 0.1333333 0.2180074), wk = 0.0023364 k( 354) = ( 0.0000000 0.1222222 0.2180074), wk = 0.0023364 k( 355) = ( 0.0000000 0.1111111 0.2180074), wk = 0.0023364 k( 356) = ( 0.0000000 0.1000000 0.2180074), wk = 0.0023364 k( 357) = ( 0.0000000 0.0888889 0.2180074), wk = 0.0023364 k( 358) = ( 0.0000000 0.0777778 0.2180074), wk = 0.0023364 k( 359) = ( 0.0000000 0.0666667 0.2180074), wk = 0.0023364 k( 360) = ( 0.0000000 0.0555556 0.2180074), wk = 0.0023364 k( 361) = ( 0.0000000 0.0444444 0.2180074), wk = 0.0023364 k( 362) = ( 0.0000000 0.0333333 0.2180074), wk = 0.0023364 k( 363) = ( 0.0000000 0.0222222 0.2180074), wk = 0.0023364 k( 364) = ( 0.0000000 0.0111111 0.2180074), wk = 0.0023364 k( 365) = ( 0.0000000 0.0000000 0.2180074), wk = 0.0023364 k( 366) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023364 k( 367) = ( 0.0000000 0.4333333 0.0109004), wk = 0.0023364 k( 368) = ( 0.0000000 0.4333333 0.0218007), wk = 0.0023364 k( 369) = ( 0.0000000 0.4333333 0.0327011), wk = 0.0023364 k( 370) = ( 0.0000000 0.4333333 0.0436015), wk = 0.0023364 k( 371) = ( 0.0000000 0.4333333 0.0545019), wk = 0.0023364 k( 372) = ( 0.0000000 0.4333333 0.0654022), wk = 0.0023364 k( 373) = ( 0.0000000 0.4333333 0.0763026), wk = 0.0023364 k( 374) = ( 0.0000000 0.4333333 0.0872030), wk = 0.0023364 k( 375) = ( 0.0000000 0.4333333 0.0981033), wk = 0.0023364 k( 376) = ( 0.0000000 0.4333333 0.1090037), wk = 0.0023364 k( 377) = ( 0.0000000 0.4333333 0.1199041), wk = 0.0023364 k( 378) = ( 0.0000000 0.4333333 0.1308045), wk = 0.0023364 k( 379) = ( 0.0000000 0.4333333 0.1417048), wk = 0.0023364 k( 380) = ( 0.0000000 0.4333333 0.1526052), wk = 0.0023364 k( 381) = ( 0.0000000 0.4333333 0.1635056), wk = 0.0023364 k( 382) = ( 0.0000000 0.4333333 0.1744059), wk = 0.0023364 k( 383) = ( 0.0000000 0.4333333 0.1853063), wk = 0.0023364 k( 384) = ( 0.0000000 0.4333333 0.1962067), wk = 0.0023364 k( 385) = ( 0.0000000 0.4333333 0.2071071), wk = 0.0023364 k( 386) = ( 0.0000000 0.4333333 0.2180074), wk = 0.0023364 k( 387) = ( 0.5000000 -0.0000000 0.2180074), wk = 0.0023364 k( 388) = ( 0.5000000 -0.0000000 0.2071071), wk = 0.0023364 k( 389) = ( 0.5000000 -0.0000000 0.1962067), wk = 0.0023364 k( 390) = ( 0.5000000 -0.0000000 0.1853063), wk = 0.0023364 k( 391) = ( 0.5000000 -0.0000000 0.1744059), wk = 0.0023364 k( 392) = ( 0.5000000 -0.0000000 0.1635056), wk = 0.0023364 k( 393) = ( 0.5000000 -0.0000000 0.1526052), wk = 0.0023364 k( 394) = ( 0.5000000 -0.0000000 0.1417048), wk = 0.0023364 k( 395) = ( 0.5000000 -0.0000000 0.1308045), wk = 0.0023364 k( 396) = ( 0.5000000 -0.0000000 0.1199041), wk = 0.0023364 k( 397) = ( 0.5000000 -0.0000000 0.1090037), wk = 0.0023364 k( 398) = ( 0.5000000 -0.0000000 0.0981033), wk = 0.0023364 k( 399) = ( 0.5000000 -0.0000000 0.0872030), wk = 0.0023364 k( 400) = ( 0.5000000 -0.0000000 0.0763026), wk = 0.0023364 k( 401) = ( 0.5000000 -0.0000000 0.0654022), wk = 0.0023364 k( 402) = ( 0.5000000 -0.0000000 0.0545019), wk = 0.0023364 k( 403) = ( 0.5000000 -0.0000000 0.0436015), wk = 0.0023364 k( 404) = ( 0.5000000 -0.0000000 0.0327011), wk = 0.0023364 k( 405) = ( 0.5000000 -0.0000000 0.0218007), wk = 0.0023364 k( 406) = ( 0.5000000 -0.0000000 0.0109004), wk = 0.0023364 k( 407) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023364 k( 408) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0023364 k( 409) = ( 0.5000000 0.4333333 0.0109004), wk = 0.0023364 k( 410) = ( 0.5000000 0.4333333 0.0218007), wk = 0.0023364 k( 411) = ( 0.5000000 0.4333333 0.0327011), wk = 0.0023364 k( 412) = ( 0.5000000 0.4333333 0.0436015), wk = 0.0023364 k( 413) = ( 0.5000000 0.4333333 0.0545019), wk = 0.0023364 k( 414) = ( 0.5000000 0.4333333 0.0654022), wk = 0.0023364 k( 415) = ( 0.5000000 0.4333333 0.0763026), wk = 0.0023364 k( 416) = ( 0.5000000 0.4333333 0.0872030), wk = 0.0023364 k( 417) = ( 0.5000000 0.4333333 0.0981033), wk = 0.0023364 k( 418) = ( 0.5000000 0.4333333 0.1090037), wk = 0.0023364 k( 419) = ( 0.5000000 0.4333333 0.1199041), wk = 0.0023364 k( 420) = ( 0.5000000 0.4333333 0.1308045), wk = 0.0023364 k( 421) = ( 0.5000000 0.4333333 0.1417048), wk = 0.0023364 k( 422) = ( 0.5000000 0.4333333 0.1526052), wk = 0.0023364 k( 423) = ( 0.5000000 0.4333333 0.1635056), wk = 0.0023364 k( 424) = ( 0.5000000 0.4333333 0.1744059), wk = 0.0023364 k( 425) = ( 0.5000000 0.4333333 0.1853063), wk = 0.0023364 k( 426) = ( 0.5000000 0.4333333 0.1962067), wk = 0.0023364 k( 427) = ( 0.5000000 0.4333333 0.2071071), wk = 0.0023364 k( 428) = ( 0.5000000 0.4333333 0.2180074), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0023364 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0023364 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0023364 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0023364 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0023364 k( 7) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0023364 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0023364 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0023364 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0023364 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0023364 k( 12) = ( 0.1222222 -0.0000000 0.0000000), wk = 0.0023364 k( 13) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0023364 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0023364 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0023364 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0023364 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0023364 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0023364 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0023364 k( 20) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0023364 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0023364 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0023364 k( 23) = ( 0.2444444 -0.0000000 0.0000000), wk = 0.0023364 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0023364 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0023364 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0023364 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0023364 k( 28) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0023364 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0023364 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0023364 k( 31) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0023364 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0023364 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0023364 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0023364 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0023364 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0023364 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0023364 k( 38) = ( 0.4111111 -0.0000000 0.0000000), wk = 0.0023364 k( 39) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0023364 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0023364 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0023364 k( 42) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0023364 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0023364 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0023364 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0023364 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 48) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0023364 k( 49) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0023364 k( 50) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0023364 k( 51) = ( 0.5000000 0.0512821 0.0000000), wk = 0.0023364 k( 52) = ( 0.5000000 0.0641026 0.0000000), wk = 0.0023364 k( 53) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0023364 k( 54) = ( 0.5000000 0.0897436 0.0000000), wk = 0.0023364 k( 55) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0023364 k( 56) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0023364 k( 57) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0023364 k( 58) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0023364 k( 59) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0023364 k( 60) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023364 k( 61) = ( 0.5000000 0.1794872 0.0000000), wk = 0.0023364 k( 62) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0023364 k( 63) = ( 0.5000000 0.2051282 0.0000000), wk = 0.0023364 k( 64) = ( 0.5000000 0.2179487 0.0000000), wk = 0.0023364 k( 65) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0023364 k( 66) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0023364 k( 67) = ( 0.5000000 0.2564103 0.0000000), wk = 0.0023364 k( 68) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0023364 k( 69) = ( 0.5000000 0.2820513 -0.0000000), wk = 0.0023364 k( 70) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0023364 k( 71) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0023364 k( 72) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0023364 k( 73) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023364 k( 74) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0023364 k( 75) = ( 0.5000000 0.3589744 0.0000000), wk = 0.0023364 k( 76) = ( 0.5000000 0.3717949 0.0000000), wk = 0.0023364 k( 77) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0023364 k( 78) = ( 0.5000000 0.3974359 0.0000000), wk = 0.0023364 k( 79) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0023364 k( 80) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0023364 k( 81) = ( 0.5000000 0.4358974 0.0000000), wk = 0.0023364 k( 82) = ( 0.5000000 0.4487179 0.0000000), wk = 0.0023364 k( 83) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0023364 k( 84) = ( 0.5000000 0.4743590 0.0000000), wk = 0.0023364 k( 85) = ( 0.5000000 0.4871795 0.0000000), wk = 0.0023364 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 88) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0023364 k( 89) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023364 k( 90) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0023364 k( 91) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0023364 k( 92) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0023364 k( 93) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0023364 k( 94) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0023364 k( 95) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0023364 k( 96) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023364 k( 97) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0023364 k( 98) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0023364 k( 99) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0023364 k( 100) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0023364 k( 101) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0023364 k( 102) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0023364 k( 103) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0023364 k( 104) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0023364 k( 105) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023364 k( 106) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023364 k( 107) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023364 k( 108) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023364 k( 109) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0023364 k( 110) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0023364 k( 111) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0023364 k( 112) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0023364 k( 113) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0023364 k( 114) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023364 k( 115) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0023364 k( 116) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0023364 k( 117) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0023364 k( 118) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0023364 k( 119) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0023364 k( 120) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0023364 k( 121) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023364 k( 122) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0023364 k( 123) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023364 k( 124) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0023364 k( 125) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0023364 k( 126) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0023364 k( 127) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0023364 k( 128) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0023364 k( 129) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0023364 k( 130) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023364 k( 131) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023364 k( 132) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 133) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 134) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0023364 k( 135) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0023364 k( 136) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0023364 k( 137) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0023364 k( 138) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0023364 k( 139) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0023364 k( 140) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0023364 k( 141) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0023364 k( 142) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0023364 k( 143) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0023364 k( 144) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0023364 k( 145) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0023364 k( 146) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023364 k( 147) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0023364 k( 148) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0023364 k( 149) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0023364 k( 150) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0023364 k( 151) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0023364 k( 152) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0023364 k( 153) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0023364 k( 154) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0023364 k( 155) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0023364 k( 156) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0023364 k( 157) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0023364 k( 158) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0023364 k( 159) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023364 k( 160) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0023364 k( 161) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0023364 k( 162) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0023364 k( 163) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0023364 k( 164) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0023364 k( 165) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0023364 k( 166) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0023364 k( 167) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0023364 k( 168) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0023364 k( 169) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0023364 k( 170) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0023364 k( 171) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 195) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0023364 k( 196) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0023364 k( 197) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0023364 k( 198) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0023364 k( 199) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0023364 k( 200) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0023364 k( 201) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0023364 k( 202) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0023364 k( 203) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0023364 k( 204) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0023364 k( 205) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0023364 k( 206) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0023364 k( 207) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0023364 k( 208) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0023364 k( 209) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0023364 k( 210) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0023364 k( 211) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0023364 k( 212) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0023364 k( 213) = ( 0.2111111 -0.0000000 0.5000000), wk = 0.0023364 k( 214) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0023364 k( 215) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0023364 k( 216) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0023364 k( 217) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0023364 k( 218) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0023364 k( 219) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0023364 k( 220) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0023364 k( 221) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0023364 k( 222) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0023364 k( 223) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0023364 k( 224) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0023364 k( 225) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0023364 k( 226) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0023364 k( 227) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0023364 k( 228) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0023364 k( 229) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0023364 k( 230) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0023364 k( 231) = ( 0.4111111 -0.0000000 0.5000000), wk = 0.0023364 k( 232) = ( 0.4222222 -0.0000000 0.5000000), wk = 0.0023364 k( 233) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0023364 k( 234) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0023364 k( 235) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0023364 k( 236) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0023364 k( 237) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0023364 k( 238) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0023364 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 241) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0023364 k( 242) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0023364 k( 243) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0023364 k( 244) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0023364 k( 245) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0023364 k( 246) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0023364 k( 247) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0023364 k( 248) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0023364 k( 249) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0023364 k( 250) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0023364 k( 251) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0023364 k( 252) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0023364 k( 253) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023364 k( 254) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0023364 k( 255) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0023364 k( 256) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0023364 k( 257) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0023364 k( 258) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0023364 k( 259) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0023364 k( 260) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0023364 k( 261) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0023364 k( 262) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0023364 k( 263) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0023364 k( 264) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0023364 k( 265) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0023364 k( 266) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023364 k( 267) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0023364 k( 268) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0023364 k( 269) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0023364 k( 270) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0023364 k( 271) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0023364 k( 272) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0023364 k( 273) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0023364 k( 274) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0023364 k( 275) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0023364 k( 276) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0023364 k( 277) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0023364 k( 278) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0023364 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 281) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0023364 k( 282) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0023364 k( 283) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0023364 k( 284) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0023364 k( 285) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0023364 k( 286) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0023364 k( 287) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0023364 k( 288) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0023364 k( 289) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023364 k( 290) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0023364 k( 291) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0023364 k( 292) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0023364 k( 293) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0023364 k( 294) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0023364 k( 295) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023364 k( 296) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0023364 k( 297) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0023364 k( 298) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023364 k( 299) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0023364 k( 300) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0023364 k( 301) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0023364 k( 302) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0023364 k( 303) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0023364 k( 304) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0023364 k( 305) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0023364 k( 306) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0023364 k( 307) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023364 k( 308) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0023364 k( 309) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0023364 k( 310) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023364 k( 311) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0023364 k( 312) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0023364 k( 313) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0023364 k( 314) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0023364 k( 315) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0023364 k( 316) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023364 k( 317) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0023364 k( 318) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0023364 k( 319) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0023364 k( 320) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0023364 k( 321) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0023364 k( 322) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0023364 k( 323) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0023364 k( 324) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0023364 k( 325) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 327) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0023364 k( 328) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0023364 k( 329) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0023364 k( 330) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0023364 k( 331) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0023364 k( 332) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0023364 k( 333) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0023364 k( 334) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0023364 k( 335) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0023364 k( 336) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0023364 k( 337) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0023364 k( 338) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0023364 k( 339) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023364 k( 340) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0023364 k( 341) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0023364 k( 342) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0023364 k( 343) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0023364 k( 344) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0023364 k( 345) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0023364 k( 346) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0023364 k( 347) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0023364 k( 348) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0023364 k( 349) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0023364 k( 350) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0023364 k( 351) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0023364 k( 352) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023364 k( 353) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0023364 k( 354) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0023364 k( 355) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0023364 k( 356) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0023364 k( 357) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0023364 k( 358) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0023364 k( 359) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0023364 k( 360) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0023364 k( 361) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0023364 k( 362) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0023364 k( 363) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0023364 k( 364) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0023364 k( 365) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 366) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023364 k( 367) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0023364 k( 368) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0023364 k( 369) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0023364 k( 370) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023364 k( 371) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023364 k( 372) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0023364 k( 373) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0023364 k( 374) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023364 k( 375) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0023364 k( 376) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023364 k( 377) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0023364 k( 378) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023364 k( 379) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0023364 k( 380) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0023364 k( 381) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023364 k( 382) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023364 k( 383) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0023364 k( 384) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0023364 k( 385) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0023364 k( 386) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 387) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 388) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0023364 k( 389) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0023364 k( 390) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0023364 k( 391) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023364 k( 392) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023364 k( 393) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0023364 k( 394) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0023364 k( 395) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023364 k( 396) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0023364 k( 397) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023364 k( 398) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0023364 k( 399) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023364 k( 400) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0023364 k( 401) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0023364 k( 402) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023364 k( 403) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023364 k( 404) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0023364 k( 405) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0023364 k( 406) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0023364 k( 407) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 408) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 409) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0023364 k( 410) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0023364 k( 411) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0023364 k( 412) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023364 k( 413) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0023364 k( 414) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0023364 k( 415) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0023364 k( 416) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023364 k( 417) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0023364 k( 418) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0023364 k( 419) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0023364 k( 420) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023364 k( 421) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0023364 k( 422) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0023364 k( 423) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0023364 k( 424) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023364 k( 425) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0023364 k( 426) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0023364 k( 427) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0023364 k( 428) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 Dense grid: 76785 G-vectors FFT dimensions: ( 40, 45, 90) Smooth grid: 34027 G-vectors FFT dimensions: ( 30, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 140, 48) NL pseudopotentials 0.18 Mb ( 70, 164) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1065) G-vector shells 0.00 Mb ( 542) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 140, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.24 Mb ( 164, 2, 48) The potential is recalculated from file : ./IClO.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 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 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.4 secs Computing kpt #: 23 total cpu time spent up to now is 13.9 secs Computing kpt #: 24 total cpu time spent up to now is 14.3 secs Computing kpt #: 25 total cpu time spent up to now is 14.8 secs Computing kpt #: 26 total cpu time spent up to now is 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.2 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.2 secs Computing kpt #: 33 total cpu time spent up to now is 18.7 secs Computing kpt #: 34 total cpu time spent up to now is 19.2 secs Computing kpt #: 35 total cpu time spent up to now is 19.7 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.6 secs Computing kpt #: 38 total cpu time spent up to now is 21.1 secs Computing kpt #: 39 total cpu time spent up to now is 21.6 secs Computing kpt #: 40 total cpu time spent up to now is 22.1 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.1 secs Computing kpt #: 43 total cpu time spent up to now is 23.5 secs Computing kpt #: 44 total cpu time spent up to now is 24.0 secs Computing kpt #: 45 total cpu time spent up to now is 24.5 secs Computing kpt #: 46 total cpu time spent up to now is 24.9 secs Computing kpt #: 47 total cpu time spent up to now is 25.4 secs Computing kpt #: 48 total cpu time spent up to now is 25.9 secs Computing kpt #: 49 total cpu time spent up to now is 26.3 secs Computing kpt #: 50 total cpu time spent up to now is 26.8 secs Computing kpt #: 51 total cpu time spent up to now is 27.3 secs Computing kpt #: 52 total cpu time spent up to now is 27.7 secs Computing kpt #: 53 total cpu time spent up to now is 28.2 secs Computing kpt #: 54 total cpu time spent up to now is 28.7 secs Computing kpt #: 55 total cpu time spent up to now is 29.1 secs Computing kpt #: 56 total cpu time spent up to now is 29.6 secs Computing kpt #: 57 total cpu time spent up to now is 30.1 secs Computing kpt #: 58 total cpu time spent up to now is 30.5 secs Computing kpt #: 59 total cpu time spent up to now is 31.0 secs Computing kpt #: 60 total cpu time spent up to now is 31.5 secs Computing kpt #: 61 total cpu time spent up to now is 31.9 secs Computing kpt #: 62 total cpu time spent up to now is 32.4 secs Computing kpt #: 63 total cpu time spent up to now is 32.9 secs Computing kpt #: 64 total cpu time spent up to now is 33.3 secs Computing kpt #: 65 total cpu time spent up to now is 33.8 secs Computing kpt #: 66 total cpu time spent up to now is 34.3 secs Computing kpt #: 67 total cpu time spent up to now is 34.8 secs Computing kpt #: 68 total cpu time spent up to now is 35.3 secs Computing kpt #: 69 total cpu time spent up to now is 35.8 secs Computing kpt #: 70 total cpu time spent up to now is 36.2 secs Computing kpt #: 71 total cpu time spent up to now is 36.7 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.7 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.6 secs Computing kpt #: 76 total cpu time spent up to now is 39.1 secs Computing kpt #: 77 total cpu time spent up to now is 39.6 secs Computing kpt #: 78 total cpu time spent up to now is 40.1 secs Computing kpt #: 79 total cpu time spent up to now is 40.6 secs Computing kpt #: 80 total cpu time spent up to now is 41.1 secs Computing kpt #: 81 total cpu time spent up to now is 41.6 secs Computing kpt #: 82 total cpu time spent up to now is 42.1 secs Computing kpt #: 83 total cpu time spent up to now is 42.6 secs Computing kpt #: 84 total cpu time spent up to now is 43.1 secs Computing kpt #: 85 total cpu time spent up to now is 43.5 secs Computing kpt #: 86 total cpu time spent up to now is 44.0 secs Computing kpt #: 87 total cpu time spent up to now is 44.5 secs Computing kpt #: 88 total cpu time spent up to now is 45.0 secs Computing kpt #: 89 total cpu time spent up to now is 45.5 secs Computing kpt #: 90 total cpu time spent up to now is 46.0 secs Computing kpt #: 91 total cpu time spent up to now is 46.5 secs Computing kpt #: 92 total cpu time spent up to now is 46.9 secs Computing kpt #: 93 total cpu time spent up to now is 47.4 secs Computing kpt #: 94 total cpu time spent up to now is 47.9 secs Computing kpt #: 95 total cpu time spent up to now is 48.4 secs Computing kpt #: 96 total cpu time spent up to now is 48.9 secs Computing kpt #: 97 total cpu time spent up to now is 49.3 secs Computing kpt #: 98 total cpu time spent up to now is 49.8 secs Computing kpt #: 99 total cpu time spent up to now is 50.3 secs Computing kpt #: 100 total cpu time spent up to now is 50.8 secs Computing kpt #: 101 total cpu time spent up to now is 51.3 secs Computing kpt #: 102 total cpu time spent up to now is 51.8 secs Computing kpt #: 103 total cpu time spent up to now is 52.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.7 secs Computing kpt #: 105 total cpu time spent up to now is 53.2 secs Computing kpt #: 106 total cpu time spent up to now is 53.7 secs Computing kpt #: 107 total cpu time spent up to now is 54.1 secs Computing kpt #: 108 total cpu time spent up to now is 54.6 secs Computing kpt #: 109 total cpu time spent up to now is 55.1 secs Computing kpt #: 110 total cpu time spent up to now is 55.5 secs Computing kpt #: 111 total cpu time spent up to now is 56.0 secs Computing kpt #: 112 total cpu time spent up to now is 56.5 secs Computing kpt #: 113 total cpu time spent up to now is 57.0 secs Computing kpt #: 114 total cpu time spent up to now is 57.4 secs Computing kpt #: 115 total cpu time spent up to now is 57.9 secs Computing kpt #: 116 total cpu time spent up to now is 58.4 secs Computing kpt #: 117 total cpu time spent up to now is 58.9 secs Computing kpt #: 118 total cpu time spent up to now is 59.3 secs Computing kpt #: 119 total cpu time spent up to now is 59.8 secs Computing kpt #: 120 total cpu time spent up to now is 60.3 secs Computing kpt #: 121 total cpu time spent up to now is 60.7 secs Computing kpt #: 122 total cpu time spent up to now is 61.2 secs Computing kpt #: 123 total cpu time spent up to now is 61.7 secs Computing kpt #: 124 total cpu time spent up to now is 62.2 secs Computing kpt #: 125 total cpu time spent up to now is 62.7 secs Computing kpt #: 126 total cpu time spent up to now is 63.2 secs Computing kpt #: 127 total cpu time spent up to now is 63.7 secs Computing kpt #: 128 total cpu time spent up to now is 64.1 secs Computing kpt #: 129 total cpu time spent up to now is 64.6 secs Computing kpt #: 130 total cpu time spent up to now is 65.1 secs Computing kpt #: 131 total cpu time spent up to now is 65.5 secs Computing kpt #: 132 total cpu time spent up to now is 66.0 secs Computing kpt #: 133 total cpu time spent up to now is 66.5 secs Computing kpt #: 134 total cpu time spent up to now is 66.9 secs Computing kpt #: 135 total cpu time spent up to now is 67.3 secs Computing kpt #: 136 total cpu time spent up to now is 67.9 secs Computing kpt #: 137 total cpu time spent up to now is 68.3 secs Computing kpt #: 138 total cpu time spent up to now is 68.8 secs Computing kpt #: 139 total cpu time spent up to now is 69.2 secs Computing kpt #: 140 total cpu time spent up to now is 69.7 secs Computing kpt #: 141 total cpu time spent up to now is 70.1 secs Computing kpt #: 142 total cpu time spent up to now is 70.6 secs Computing kpt #: 143 total cpu time spent up to now is 71.0 secs Computing kpt #: 144 total cpu time spent up to now is 71.5 secs Computing kpt #: 145 total cpu time spent up to now is 71.9 secs Computing kpt #: 146 total cpu time spent up to now is 72.4 secs Computing kpt #: 147 total cpu time spent up to now is 72.9 secs Computing kpt #: 148 total cpu time spent up to now is 73.3 secs Computing kpt #: 149 total cpu time spent up to now is 73.8 secs Computing kpt #: 150 total cpu time spent up to now is 74.2 secs Computing kpt #: 151 total cpu time spent up to now is 74.7 secs Computing kpt #: 152 total cpu time spent up to now is 75.1 secs Computing kpt #: 153 total cpu time spent up to now is 75.6 secs Computing kpt #: 154 total cpu time spent up to now is 76.1 secs Computing kpt #: 155 total cpu time spent up to now is 76.5 secs Computing kpt #: 156 total cpu time spent up to now is 77.0 secs Computing kpt #: 157 total cpu time spent up to now is 77.5 secs Computing kpt #: 158 total cpu time spent up to now is 77.9 secs Computing kpt #: 159 total cpu time spent up to now is 78.4 secs Computing kpt #: 160 total cpu time spent up to now is 78.9 secs Computing kpt #: 161 total cpu time spent up to now is 79.3 secs Computing kpt #: 162 total cpu time spent up to now is 79.8 secs Computing kpt #: 163 total cpu time spent up to now is 80.3 secs Computing kpt #: 164 total cpu time spent up to now is 80.7 secs Computing kpt #: 165 total cpu time spent up to now is 81.2 secs Computing kpt #: 166 total cpu time spent up to now is 81.7 secs Computing kpt #: 167 total cpu time spent up to now is 82.1 secs Computing kpt #: 168 total cpu time spent up to now is 82.6 secs Computing kpt #: 169 total cpu time spent up to now is 83.1 secs Computing kpt #: 170 total cpu time spent up to now is 83.5 secs Computing kpt #: 171 total cpu time spent up to now is 84.0 secs Computing kpt #: 172 total cpu time spent up to now is 84.5 secs Computing kpt #: 173 total cpu time spent up to now is 84.9 secs Computing kpt #: 174 total cpu time spent up to now is 85.4 secs Computing kpt #: 175 total cpu time spent up to now is 85.9 secs Computing kpt #: 176 total cpu time spent up to now is 86.3 secs Computing kpt #: 177 total cpu time spent up to now is 86.8 secs Computing kpt #: 178 total cpu time spent up to now is 87.3 secs Computing kpt #: 179 total cpu time spent up to now is 87.7 secs Computing kpt #: 180 total cpu time spent up to now is 88.2 secs Computing kpt #: 181 total cpu time spent up to now is 88.7 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.6 secs Computing kpt #: 184 total cpu time spent up to now is 90.1 secs Computing kpt #: 185 total cpu time spent up to now is 90.6 secs Computing kpt #: 186 total cpu time spent up to now is 91.0 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 91.9 secs Computing kpt #: 189 total cpu time spent up to now is 92.4 secs Computing kpt #: 190 total cpu time spent up to now is 92.9 secs Computing kpt #: 191 total cpu time spent up to now is 93.3 secs Computing kpt #: 192 total cpu time spent up to now is 93.8 secs Computing kpt #: 193 total cpu time spent up to now is 94.3 secs Computing kpt #: 194 total cpu time spent up to now is 94.7 secs Computing kpt #: 195 total cpu time spent up to now is 95.1 secs Computing kpt #: 196 total cpu time spent up to now is 95.6 secs Computing kpt #: 197 total cpu time spent up to now is 96.1 secs Computing kpt #: 198 total cpu time spent up to now is 96.5 secs Computing kpt #: 199 total cpu time spent up to now is 97.0 secs Computing kpt #: 200 total cpu time spent up to now is 97.5 secs Computing kpt #: 201 total cpu time spent up to now is 97.9 secs Computing kpt #: 202 total cpu time spent up to now is 98.4 secs Computing kpt #: 203 total cpu time spent up to now is 98.9 secs Computing kpt #: 204 total cpu time spent up to now is 99.3 secs Computing kpt #: 205 total cpu time spent up to now is 99.8 secs Computing kpt #: 206 total cpu time spent up to now is 100.3 secs Computing kpt #: 207 total cpu time spent up to now is 100.7 secs Computing kpt #: 208 total cpu time spent up to now is 101.2 secs Computing kpt #: 209 total cpu time spent up to now is 101.7 secs Computing kpt #: 210 total cpu time spent up to now is 102.2 secs Computing kpt #: 211 total cpu time spent up to now is 102.6 secs Computing kpt #: 212 total cpu time spent up to now is 103.1 secs Computing kpt #: 213 total cpu time spent up to now is 103.6 secs Computing kpt #: 214 total cpu time spent up to now is 104.0 secs Computing kpt #: 215 total cpu time spent up to now is 104.5 secs Computing kpt #: 216 total cpu time spent up to now is 104.9 secs Computing kpt #: 217 total cpu time spent up to now is 105.4 secs Computing kpt #: 218 total cpu time spent up to now is 105.9 secs Computing kpt #: 219 total cpu time spent up to now is 106.3 secs Computing kpt #: 220 total cpu time spent up to now is 106.8 secs Computing kpt #: 221 total cpu time spent up to now is 107.3 secs Computing kpt #: 222 total cpu time spent up to now is 107.8 secs Computing kpt #: 223 total cpu time spent up to now is 108.2 secs Computing kpt #: 224 total cpu time spent up to now is 108.7 secs Computing kpt #: 225 total cpu time spent up to now is 109.2 secs Computing kpt #: 226 total cpu time spent up to now is 109.6 secs Computing kpt #: 227 total cpu time spent up to now is 110.1 secs Computing kpt #: 228 total cpu time spent up to now is 110.6 secs Computing kpt #: 229 total cpu time spent up to now is 111.1 secs Computing kpt #: 230 total cpu time spent up to now is 111.5 secs Computing kpt #: 231 total cpu time spent up to now is 112.0 secs Computing kpt #: 232 total cpu time spent up to now is 112.4 secs Computing kpt #: 233 total cpu time spent up to now is 112.9 secs Computing kpt #: 234 total cpu time spent up to now is 113.4 secs Computing kpt #: 235 total cpu time spent up to now is 113.8 secs Computing kpt #: 236 total cpu time spent up to now is 114.3 secs Computing kpt #: 237 total cpu time spent up to now is 114.8 secs Computing kpt #: 238 total cpu time spent up to now is 115.3 secs Computing kpt #: 239 total cpu time spent up to now is 115.7 secs Computing kpt #: 240 total cpu time spent up to now is 116.2 secs Computing kpt #: 241 total cpu time spent up to now is 116.6 secs Computing kpt #: 242 total cpu time spent up to now is 117.1 secs Computing kpt #: 243 total cpu time spent up to now is 117.6 secs Computing kpt #: 244 total cpu time spent up to now is 118.0 secs Computing kpt #: 245 total cpu time spent up to now is 118.5 secs Computing kpt #: 246 total cpu time spent up to now is 119.0 secs Computing kpt #: 247 total cpu time spent up to now is 119.4 secs Computing kpt #: 248 total cpu time spent up to now is 119.9 secs Computing kpt #: 249 total cpu time spent up to now is 120.4 secs Computing kpt #: 250 total cpu time spent up to now is 120.8 secs Computing kpt #: 251 total cpu time spent up to now is 121.3 secs Computing kpt #: 252 total cpu time spent up to now is 121.8 secs Computing kpt #: 253 total cpu time spent up to now is 122.2 secs Computing kpt #: 254 total cpu time spent up to now is 122.7 secs Computing kpt #: 255 total cpu time spent up to now is 123.1 secs Computing kpt #: 256 total cpu time spent up to now is 123.6 secs Computing kpt #: 257 total cpu time spent up to now is 124.1 secs Computing kpt #: 258 total cpu time spent up to now is 124.5 secs Computing kpt #: 259 total cpu time spent up to now is 125.0 secs Computing kpt #: 260 total cpu time spent up to now is 125.5 secs Computing kpt #: 261 total cpu time spent up to now is 126.0 secs Computing kpt #: 262 total cpu time spent up to now is 126.5 secs Computing kpt #: 263 total cpu time spent up to now is 127.0 secs Computing kpt #: 264 total cpu time spent up to now is 127.5 secs Computing kpt #: 265 total cpu time spent up to now is 128.0 secs Computing kpt #: 266 total cpu time spent up to now is 128.5 secs Computing kpt #: 267 total cpu time spent up to now is 128.9 secs Computing kpt #: 268 total cpu time spent up to now is 129.4 secs Computing kpt #: 269 total cpu time spent up to now is 129.9 secs Computing kpt #: 270 total cpu time spent up to now is 130.4 secs Computing kpt #: 271 total cpu time spent up to now is 130.9 secs Computing kpt #: 272 total cpu time spent up to now is 131.3 secs Computing kpt #: 273 total cpu time spent up to now is 131.8 secs Computing kpt #: 274 total cpu time spent up to now is 132.3 secs Computing kpt #: 275 total cpu time spent up to now is 132.8 secs Computing kpt #: 276 total cpu time spent up to now is 133.3 secs Computing kpt #: 277 total cpu time spent up to now is 133.7 secs Computing kpt #: 278 total cpu time spent up to now is 134.2 secs Computing kpt #: 279 total cpu time spent up to now is 134.7 secs Computing kpt #: 280 total cpu time spent up to now is 135.2 secs Computing kpt #: 281 total cpu time spent up to now is 135.7 secs Computing kpt #: 282 total cpu time spent up to now is 136.2 secs Computing kpt #: 283 total cpu time spent up to now is 136.6 secs Computing kpt #: 284 total cpu time spent up to now is 137.1 secs Computing kpt #: 285 total cpu time spent up to now is 137.6 secs Computing kpt #: 286 total cpu time spent up to now is 138.1 secs Computing kpt #: 287 total cpu time spent up to now is 138.6 secs Computing kpt #: 288 total cpu time spent up to now is 139.1 secs Computing kpt #: 289 total cpu time spent up to now is 139.6 secs Computing kpt #: 290 total cpu time spent up to now is 140.1 secs Computing kpt #: 291 total cpu time spent up to now is 140.6 secs Computing kpt #: 292 total cpu time spent up to now is 141.1 secs Computing kpt #: 293 total cpu time spent up to now is 141.5 secs Computing kpt #: 294 total cpu time spent up to now is 142.1 secs Computing kpt #: 295 total cpu time spent up to now is 142.5 secs Computing kpt #: 296 total cpu time spent up to now is 143.1 secs Computing kpt #: 297 total cpu time spent up to now is 143.6 secs Computing kpt #: 298 total cpu time spent up to now is 144.1 secs Computing kpt #: 299 total cpu time spent up to now is 144.5 secs Computing kpt #: 300 total cpu time spent up to now is 145.0 secs Computing kpt #: 301 total cpu time spent up to now is 145.5 secs Computing kpt #: 302 total cpu time spent up to now is 146.0 secs Computing kpt #: 303 total cpu time spent up to now is 146.5 secs Computing kpt #: 304 total cpu time spent up to now is 146.9 secs Computing kpt #: 305 total cpu time spent up to now is 147.4 secs Computing kpt #: 306 total cpu time spent up to now is 147.9 secs Computing kpt #: 307 total cpu time spent up to now is 148.3 secs Computing kpt #: 308 total cpu time spent up to now is 148.8 secs Computing kpt #: 309 total cpu time spent up to now is 149.3 secs Computing kpt #: 310 total cpu time spent up to now is 149.7 secs Computing kpt #: 311 total cpu time spent up to now is 150.2 secs Computing kpt #: 312 total cpu time spent up to now is 150.7 secs Computing kpt #: 313 total cpu time spent up to now is 151.2 secs Computing kpt #: 314 total cpu time spent up to now is 151.6 secs Computing kpt #: 315 total cpu time spent up to now is 152.1 secs Computing kpt #: 316 total cpu time spent up to now is 152.6 secs Computing kpt #: 317 total cpu time spent up to now is 153.1 secs Computing kpt #: 318 total cpu time spent up to now is 153.5 secs Computing kpt #: 319 total cpu time spent up to now is 154.0 secs Computing kpt #: 320 total cpu time spent up to now is 154.5 secs Computing kpt #: 321 total cpu time spent up to now is 154.9 secs Computing kpt #: 322 total cpu time spent up to now is 155.4 secs Computing kpt #: 323 total cpu time spent up to now is 155.9 secs Computing kpt #: 324 total cpu time spent up to now is 156.3 secs Computing kpt #: 325 total cpu time spent up to now is 156.8 secs Computing kpt #: 326 total cpu time spent up to now is 157.2 secs Computing kpt #: 327 total cpu time spent up to now is 157.7 secs Computing kpt #: 328 total cpu time spent up to now is 158.2 secs Computing kpt #: 329 total cpu time spent up to now is 158.6 secs Computing kpt #: 330 total cpu time spent up to now is 159.1 secs Computing kpt #: 331 total cpu time spent up to now is 159.5 secs Computing kpt #: 332 total cpu time spent up to now is 160.0 secs Computing kpt #: 333 total cpu time spent up to now is 160.5 secs Computing kpt #: 334 total cpu time spent up to now is 161.0 secs Computing kpt #: 335 total cpu time spent up to now is 161.4 secs Computing kpt #: 336 total cpu time spent up to now is 161.9 secs Computing kpt #: 337 total cpu time spent up to now is 162.4 secs Computing kpt #: 338 total cpu time spent up to now is 162.9 secs Computing kpt #: 339 total cpu time spent up to now is 163.3 secs Computing kpt #: 340 total cpu time spent up to now is 163.8 secs Computing kpt #: 341 total cpu time spent up to now is 164.2 secs Computing kpt #: 342 total cpu time spent up to now is 164.7 secs Computing kpt #: 343 total cpu time spent up to now is 165.2 secs Computing kpt #: 344 total cpu time spent up to now is 165.6 secs Computing kpt #: 345 total cpu time spent up to now is 166.1 secs Computing kpt #: 346 total cpu time spent up to now is 166.5 secs Computing kpt #: 347 total cpu time spent up to now is 167.0 secs Computing kpt #: 348 total cpu time spent up to now is 167.5 secs Computing kpt #: 349 total cpu time spent up to now is 167.9 secs Computing kpt #: 350 total cpu time spent up to now is 168.4 secs Computing kpt #: 351 total cpu time spent up to now is 168.9 secs Computing kpt #: 352 total cpu time spent up to now is 169.3 secs Computing kpt #: 353 total cpu time spent up to now is 169.8 secs Computing kpt #: 354 total cpu time spent up to now is 170.3 secs Computing kpt #: 355 total cpu time spent up to now is 170.7 secs Computing kpt #: 356 total cpu time spent up to now is 171.2 secs Computing kpt #: 357 total cpu time spent up to now is 171.7 secs Computing kpt #: 358 total cpu time spent up to now is 172.1 secs Computing kpt #: 359 total cpu time spent up to now is 172.6 secs Computing kpt #: 360 total cpu time spent up to now is 173.1 secs Computing kpt #: 361 total cpu time spent up to now is 173.5 secs Computing kpt #: 362 total cpu time spent up to now is 173.9 secs Computing kpt #: 363 total cpu time spent up to now is 174.4 secs Computing kpt #: 364 total cpu time spent up to now is 174.9 secs Computing kpt #: 365 total cpu time spent up to now is 175.3 secs Computing kpt #: 366 total cpu time spent up to now is 175.8 secs Computing kpt #: 367 total cpu time spent up to now is 176.2 secs Computing kpt #: 368 total cpu time spent up to now is 176.7 secs Computing kpt #: 369 total cpu time spent up to now is 177.2 secs Computing kpt #: 370 total cpu time spent up to now is 177.9 secs Computing kpt #: 371 total cpu time spent up to now is 178.5 secs Computing kpt #: 372 total cpu time spent up to now is 179.1 secs Computing kpt #: 373 total cpu time spent up to now is 179.6 secs Computing kpt #: 374 total cpu time spent up to now is 180.1 secs Computing kpt #: 375 total cpu time spent up to now is 180.5 secs Computing kpt #: 376 total cpu time spent up to now is 181.0 secs Computing kpt #: 377 total cpu time spent up to now is 181.4 secs Computing kpt #: 378 total cpu time spent up to now is 181.9 secs Computing kpt #: 379 total cpu time spent up to now is 182.3 secs Computing kpt #: 380 total cpu time spent up to now is 182.8 secs Computing kpt #: 381 total cpu time spent up to now is 183.3 secs Computing kpt #: 382 total cpu time spent up to now is 183.8 secs Computing kpt #: 383 total cpu time spent up to now is 184.2 secs Computing kpt #: 384 total cpu time spent up to now is 184.7 secs Computing kpt #: 385 total cpu time spent up to now is 185.2 secs Computing kpt #: 386 total cpu time spent up to now is 185.6 secs Computing kpt #: 387 total cpu time spent up to now is 186.1 secs Computing kpt #: 388 total cpu time spent up to now is 186.6 secs Computing kpt #: 389 total cpu time spent up to now is 187.1 secs Computing kpt #: 390 total cpu time spent up to now is 187.5 secs Computing kpt #: 391 total cpu time spent up to now is 188.0 secs Computing kpt #: 392 total cpu time spent up to now is 188.5 secs Computing kpt #: 393 total cpu time spent up to now is 188.9 secs Computing kpt #: 394 total cpu time spent up to now is 189.4 secs Computing kpt #: 395 total cpu time spent up to now is 189.9 secs Computing kpt #: 396 total cpu time spent up to now is 190.3 secs Computing kpt #: 397 total cpu time spent up to now is 190.8 secs Computing kpt #: 398 total cpu time spent up to now is 191.3 secs Computing kpt #: 399 total cpu time spent up to now is 191.7 secs Computing kpt #: 400 total cpu time spent up to now is 192.2 secs Computing kpt #: 401 total cpu time spent up to now is 192.7 secs Computing kpt #: 402 total cpu time spent up to now is 193.1 secs Computing kpt #: 403 total cpu time spent up to now is 193.6 secs Computing kpt #: 404 total cpu time spent up to now is 194.1 secs Computing kpt #: 405 total cpu time spent up to now is 194.5 secs Computing kpt #: 406 total cpu time spent up to now is 195.0 secs Computing kpt #: 407 total cpu time spent up to now is 195.5 secs Computing kpt #: 408 total cpu time spent up to now is 195.9 secs Computing kpt #: 409 total cpu time spent up to now is 196.4 secs Computing kpt #: 410 total cpu time spent up to now is 196.9 secs Computing kpt #: 411 total cpu time spent up to now is 197.4 secs Computing kpt #: 412 total cpu time spent up to now is 197.9 secs Computing kpt #: 413 total cpu time spent up to now is 198.4 secs Computing kpt #: 414 total cpu time spent up to now is 198.9 secs Computing kpt #: 415 total cpu time spent up to now is 199.4 secs Computing kpt #: 416 total cpu time spent up to now is 199.9 secs Computing kpt #: 417 total cpu time spent up to now is 200.4 secs Computing kpt #: 418 total cpu time spent up to now is 200.9 secs Computing kpt #: 419 total cpu time spent up to now is 201.3 secs Computing kpt #: 420 total cpu time spent up to now is 201.8 secs Computing kpt #: 421 total cpu time spent up to now is 202.3 secs Computing kpt #: 422 total cpu time spent up to now is 202.8 secs Computing kpt #: 423 total cpu time spent up to now is 203.3 secs Computing kpt #: 424 total cpu time spent up to now is 203.7 secs Computing kpt #: 425 total cpu time spent up to now is 204.3 secs Computing kpt #: 426 total cpu time spent up to now is 204.7 secs Computing kpt #: 427 total cpu time spent up to now is 205.2 secs Computing kpt #: 428 total cpu time spent up to now is 205.7 secs ethr = 2.50E-08, avg # of iterations = 11.4 total cpu time spent up to now is 205.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4239 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8690 -9.8690 -9.2355 -9.2355 -6.2277 -6.2277 -3.8476 -3.8476 -3.2694 -3.2694 -1.8586 -1.8586 0.4563 0.4563 1.2982 1.2982 1.4595 1.4595 2.7327 2.7327 2.9135 2.9135 3.0303 3.0303 3.2797 3.2797 3.4402 3.4402 3.7766 3.7766 4.0163 4.0163 6.6362 6.6362 6.7219 6.7219 7.9039 7.9039 8.3232 8.3232 9.6943 9.6943 10.2449 10.2449 k = 0.0111-0.0000-0.0000 ( 4249 PWs) bands (ev): -15.8611 -15.8611 -12.6957 -12.6957 -9.8680 -9.8680 -9.2348 -9.2348 -6.2292 -6.2292 -3.8502 -3.8502 -3.2684 -3.2684 -1.8597 -1.8597 0.4550 0.4550 1.2909 1.2909 1.4578 1.4578 2.7275 2.7275 2.9221 2.9221 3.0332 3.0332 3.2773 3.2773 3.4411 3.4411 3.7771 3.7771 4.0165 4.0165 6.6430 6.6430 6.7244 6.7244 7.9031 7.9031 8.3225 8.3225 9.6945 9.6945 10.2445 10.2445 k = 0.0222-0.0000-0.0000 ( 4249 PWs) bands (ev): -15.8582 -15.8582 -12.6973 -12.6973 -9.8652 -9.8652 -9.2326 -9.2326 -6.2339 -6.2339 -3.8582 -3.8582 -3.2655 -3.2655 -1.8628 -1.8628 0.4511 0.4511 1.2698 1.2698 1.4519 1.4519 2.7122 2.7122 2.9464 2.9464 3.0423 3.0423 3.2706 3.2706 3.4438 3.4438 3.7786 3.7786 4.0173 4.0173 6.6633 6.6633 6.7321 6.7321 7.9006 7.9006 8.3202 8.3202 9.6953 9.6953 10.2436 10.2436 k = 0.0333-0.0000-0.0000 ( 4255 PWs) bands (ev): -15.8532 -15.8532 -12.6999 -12.6999 -9.8605 -9.8605 -9.2289 -9.2289 -6.2417 -6.2417 -3.8714 -3.8714 -3.2606 -3.2606 -1.8680 -1.8680 0.4447 0.4447 1.2373 1.2373 1.4409 1.4409 2.6874 2.6874 2.9825 2.9825 3.0584 3.0584 3.2616 3.2616 3.4480 3.4480 3.7812 3.7812 4.0185 4.0185 6.6965 6.6965 6.7444 6.7444 7.8964 7.8964 8.3167 8.3167 9.6967 9.6967 10.2420 10.2420 k = 0.0444-0.0000-0.0000 ( 4249 PWs) bands (ev): -15.8462 -15.8462 -12.7036 -12.7036 -9.8539 -9.8539 -9.2239 -9.2239 -6.2525 -6.2525 -3.8900 -3.8900 -3.2537 -3.2537 -1.8750 -1.8750 0.4357 0.4357 1.1959 1.1959 1.4238 1.4238 2.6534 2.6534 3.0256 3.0256 3.0818 3.0818 3.2544 3.2544 3.4534 3.4534 3.7848 3.7848 4.0203 4.0203 6.7419 6.7419 6.7608 6.7608 7.8906 7.8906 8.3122 8.3122 9.6989 9.6989 10.2399 10.2399 k = 0.0556-0.0000-0.0000 ( 4233 PWs) bands (ev): -15.8373 -15.8373 -12.7084 -12.7084 -9.8454 -9.8454 -9.2173 -9.2173 -6.2662 -6.2662 -3.9138 -3.9138 -3.2450 -3.2450 -1.8836 -1.8836 0.4241 0.4241 1.1479 1.1479 1.4002 1.4002 2.6103 2.6103 3.0661 3.0661 3.1122 3.1122 3.2583 3.2583 3.4595 3.4595 3.7893 3.7893 4.0226 4.0226 6.7800 6.7800 6.7989 6.7989 7.8832 7.8832 8.3069 8.3069 9.7021 9.7021 10.2375 10.2375 k = 0.0667-0.0000-0.0000 ( 4235 PWs) bands (ev): -15.8264 -15.8264 -12.7144 -12.7144 -9.8350 -9.8350 -9.2094 -9.2094 -6.2828 -6.2828 -3.9428 -3.9428 -3.2342 -3.2342 -1.8936 -1.8936 0.4099 0.4099 1.0951 1.0951 1.3699 1.3699 2.5585 2.5585 3.0856 3.0856 3.1536 3.1536 3.2862 3.2862 3.4662 3.4662 3.7949 3.7949 4.0254 4.0254 6.8021 6.8021 6.8656 6.8656 7.8742 7.8742 8.3013 8.3013 9.7064 9.7064 10.2349 10.2349 k = 0.0778-0.0000-0.0000 ( 4239 PWs) bands (ev): -15.8136 -15.8136 -12.7215 -12.7215 -9.8227 -9.8227 -9.2000 -9.2000 -6.3022 -6.3022 -3.9770 -3.9770 -3.2215 -3.2215 -1.9047 -1.9047 0.3931 0.3931 1.0392 1.0392 1.3332 1.3332 2.4990 2.4990 3.0797 3.0797 3.2068 3.2068 3.3408 3.3408 3.4733 3.4733 3.8015 3.8015 4.0288 4.0288 6.8254 6.8254 6.9412 6.9412 7.8639 7.8639 8.2959 8.2959 9.7121 9.7121 10.2323 10.2323 k = 0.0889-0.0000-0.0000 ( 4239 PWs) bands (ev): -15.7988 -15.7988 -12.7298 -12.7298 -9.8085 -9.8085 -9.1892 -9.1892 -6.3241 -6.3241 -4.0163 -4.0163 -3.2069 -3.2069 -1.9167 -1.9167 0.3737 0.3737 0.9813 0.9813 1.2906 1.2906 2.4327 2.4327 3.0603 3.0603 3.2676 3.2676 3.4125 3.4125 3.4809 3.4809 3.8091 3.8091 4.0327 4.0327 6.8491 6.8491 7.0244 7.0244 7.8525 7.8525 8.2908 8.2908 9.7191 9.7191 10.2300 10.2300 k = 0.1000-0.0000-0.0000 ( 4239 PWs) bands (ev): -15.7821 -15.7821 -12.7394 -12.7394 -9.7924 -9.7924 -9.1771 -9.1771 -6.3486 -6.3486 -4.0607 -4.0607 -3.1903 -3.1903 -1.9291 -1.9291 0.3517 0.3517 0.9224 0.9224 1.2426 1.2426 2.3605 2.3605 3.0350 3.0350 3.3343 3.3343 3.4851 3.4851 3.4977 3.4977 3.8176 3.8176 4.0372 4.0372 6.8725 6.8725 7.1140 7.1140 7.8404 7.8404 8.2864 8.2864 9.7275 9.7275 10.2285 10.2285 k = 0.1111-0.0000-0.0000 ( 4243 PWs) bands (ev): -15.7634 -15.7634 -12.7503 -12.7503 -9.7744 -9.7744 -9.1637 -9.1637 -6.3753 -6.3753 -4.1100 -4.1100 -3.1718 -3.1718 -1.9418 -1.9418 0.3272 0.3272 0.8629 0.8629 1.1899 1.1899 2.2835 2.2835 3.0073 3.0073 3.4049 3.4049 3.4975 3.4975 3.5816 3.5816 3.8271 3.8271 4.0423 4.0423 6.8948 6.8948 7.2085 7.2085 7.8281 7.8281 8.2830 8.2830 9.7368 9.7368 10.2282 10.2282 k = 0.1222-0.0000-0.0000 ( 4241 PWs) bands (ev): -15.7428 -15.7428 -12.7626 -12.7626 -9.7545 -9.7545 -9.1489 -9.1489 -6.4041 -6.4041 -4.1640 -4.1640 -3.1513 -3.1513 -1.9545 -1.9545 0.3002 0.3002 0.8032 0.8032 1.1335 1.1335 2.2026 2.2026 2.9791 2.9791 3.4696 3.4696 3.5177 3.5177 3.6709 3.6709 3.8376 3.8376 4.0480 4.0480 6.9156 6.9156 7.3068 7.3068 7.8162 7.8162 8.2808 8.2808 9.7468 9.7468 10.2295 10.2295 k = 0.1333-0.0000-0.0000 ( 4245 PWs) bands (ev): -15.7204 -15.7204 -12.7763 -12.7763 -9.7327 -9.7327 -9.1329 -9.1329 -6.4349 -6.4349 -4.2228 -4.2228 -3.1290 -3.1290 -1.9669 -1.9669 0.2706 0.2706 0.7431 0.7431 1.0743 1.0743 2.1186 2.1186 2.9513 2.9513 3.4966 3.4966 3.5791 3.5791 3.7610 3.7610 3.8494 3.8494 4.0543 4.0543 6.9346 6.9346 7.4073 7.4073 7.8055 7.8055 8.2799 8.2799 9.7566 9.7566 10.2332 10.2332 k = 0.1444-0.0000-0.0000 ( 4245 PWs) bands (ev): -15.6960 -15.6960 -12.7914 -12.7914 -9.7090 -9.7090 -9.1156 -9.1156 -6.4674 -6.4674 -4.2860 -4.2860 -3.1048 -3.1048 -1.9787 -1.9787 0.2387 0.2387 0.6825 0.6825 1.0136 1.0136 2.0324 2.0324 2.9246 2.9246 3.5064 3.5064 3.6602 3.6602 3.8452 3.8452 3.8678 3.8678 4.0612 4.0612 6.9517 6.9517 7.5082 7.5082 7.7975 7.7975 8.2804 8.2804 9.7655 9.7655 10.2397 10.2397 k = 0.1556-0.0000-0.0000 ( 4243 PWs) bands (ev): -15.6698 -15.6698 -12.8081 -12.8081 -9.6833 -9.6833 -9.0972 -9.0972 -6.5013 -6.5013 -4.3535 -4.3535 -3.0787 -3.0787 -1.9897 -1.9897 0.2043 0.2043 0.6208 0.6208 0.9528 0.9528 1.9445 1.9445 2.8992 2.8992 3.5134 3.5134 3.7457 3.7457 3.8714 3.8714 3.9437 3.9437 4.0688 4.0688 6.9673 6.9673 7.6060 7.6060 7.7952 7.7952 8.2826 8.2826 9.7724 9.7724 10.2495 10.2495 k = 0.1667-0.0000-0.0000 ( 4245 PWs) bands (ev): -15.6418 -15.6418 -12.8263 -12.8263 -9.6558 -9.6558 -9.0776 -9.0776 -6.5365 -6.5365 -4.4251 -4.4251 -3.0508 -3.0508 -1.9998 -1.9998 0.1675 0.1675 0.5574 0.5574 0.8932 0.8932 1.8558 1.8558 2.8754 2.8754 3.5194 3.5194 3.8326 3.8326 3.8860 3.8860 4.0293 4.0293 4.0776 4.0776 6.9818 6.9818 7.6899 7.6899 7.8089 7.8089 8.2865 8.2865 9.7766 9.7766 10.2630 10.2630 k = 0.1778-0.0000-0.0000 ( 4249 PWs) bands (ev): -15.6119 -15.6119 -12.8462 -12.8462 -9.6264 -9.6264 -9.0569 -9.0569 -6.5728 -6.5728 -4.5005 -4.5005 -3.0211 -3.0211 -2.0089 -2.0089 0.1282 0.1282 0.4917 0.4917 0.8362 0.8362 1.7667 1.7667 2.8532 2.8532 3.5246 3.5246 3.8990 3.8990 3.9214 3.9214 4.0834 4.0834 4.1160 4.1160 6.9959 6.9959 7.7345 7.7345 7.8634 7.8634 8.2928 8.2928 9.7772 9.7772 10.2801 10.2801 k = 0.1889-0.0000-0.0000 ( 4257 PWs) bands (ev): -15.5803 -15.5803 -12.8678 -12.8678 -9.5951 -9.5951 -9.0351 -9.0351 -6.6099 -6.6099 -4.5795 -4.5795 -2.9896 -2.9896 -2.0167 -2.0167 0.0864 0.0864 0.4234 0.4234 0.7828 0.7828 1.6779 1.6779 2.8327 2.8327 3.5291 3.5291 3.9149 3.9149 4.0068 4.0068 4.0938 4.0938 4.1950 4.1950 7.0103 7.0103 7.7497 7.7497 7.9479 7.9479 8.3020 8.3020 9.7740 9.7740 10.3004 10.3004 k = 0.2000-0.0000-0.0000 ( 4247 PWs) bands (ev): -15.5469 -15.5469 -12.8912 -12.8912 -9.5620 -9.5620 -9.0124 -9.0124 -6.6476 -6.6476 -4.6618 -4.6618 -2.9564 -2.9564 -2.0232 -2.0232 0.0419 0.0419 0.3525 0.3525 0.7340 0.7340 1.5897 1.5897 2.8138 2.8138 3.5327 3.5327 3.9307 3.9307 4.0906 4.0906 4.1040 4.1040 4.2707 4.2707 7.0260 7.0260 7.7598 7.7598 8.0364 8.0364 8.3159 8.3159 9.7669 9.7669 10.3231 10.3231 k = 0.2111-0.0000-0.0000 ( 4251 PWs) bands (ev): -15.5118 -15.5118 -12.9163 -12.9163 -9.5270 -9.5270 -8.9887 -8.9887 -6.6857 -6.6857 -4.7471 -4.7471 -2.9214 -2.9214 -2.0284 -2.0284 -0.0057 -0.0057 0.2794 0.2794 0.6898 0.6898 1.5028 1.5028 2.7966 2.7966 3.5355 3.5355 3.9469 3.9469 4.1142 4.1142 4.1716 4.1716 4.3415 4.3415 7.0439 7.0439 7.7720 7.7720 8.1183 8.1183 8.3375 8.3375 9.7561 9.7561 10.3472 10.3472 k = 0.2222-0.0000-0.0000 ( 4241 PWs) bands (ev): -15.4749 -15.4749 -12.9433 -12.9433 -9.4902 -9.4902 -8.9642 -8.9642 -6.7239 -6.7239 -4.8352 -4.8352 -2.8848 -2.8848 -2.0321 -2.0321 -0.0566 -0.0566 0.2049 0.2049 0.6503 0.6503 1.4174 1.4174 2.7810 2.7810 3.5374 3.5374 3.9636 3.9636 4.1251 4.1251 4.2483 4.2483 4.4071 4.4071 7.0649 7.0649 7.7886 7.7886 8.1858 8.1858 8.3725 8.3725 9.7418 9.7418 10.3716 10.3716 k = 0.2333-0.0000-0.0000 ( 4251 PWs) bands (ev): -15.4365 -15.4365 -12.9721 -12.9721 -9.4516 -9.4516 -8.9388 -8.9388 -6.7620 -6.7620 -4.9258 -4.9258 -2.8465 -2.8465 -2.0344 -2.0344 -0.1114 -0.1114 0.1301 0.1301 0.6153 0.6153 1.3340 1.3340 2.7669 2.7669 3.5381 3.5381 3.9807 3.9807 4.1365 4.1365 4.3198 4.3198 4.4669 4.4669 7.0900 7.0900 7.8104 7.8104 8.2338 8.2338 8.4246 8.4246 9.7246 9.7246 10.3951 10.3951 k = 0.2444-0.0000-0.0000 ( 4259 PWs) bands (ev): -15.3964 -15.3964 -13.0028 -13.0028 -9.4113 -9.4113 -8.9128 -8.9128 -6.7999 -6.7999 -5.0185 -5.0185 -2.8066 -2.8066 -2.0352 -2.0352 -0.1704 -0.1704 0.0561 0.0561 0.5843 0.5843 1.2529 1.2529 2.7545 2.7545 3.5375 3.5375 3.9982 3.9982 4.1482 4.1482 4.3856 4.3856 4.5209 4.5209 7.1197 7.1197 7.8380 7.8380 8.2661 8.2661 8.4894 8.4894 9.7049 9.7049 10.4167 10.4167 k = 0.2556-0.0000-0.0000 ( 4261 PWs) bands (ev): -15.3547 -15.3547 -13.0354 -13.0354 -9.3694 -9.3694 -8.8861 -8.8861 -6.8373 -6.8373 -5.1131 -5.1131 -2.7652 -2.7652 -2.0345 -2.0345 -0.2338 -0.2338 -0.0161 -0.0161 0.5570 0.5570 1.1744 1.1744 2.7436 2.7436 3.5355 3.5355 4.0159 4.0159 4.1602 4.1602 4.4449 4.4449 4.5689 4.5689 7.1548 7.1548 7.8714 7.8714 8.2901 8.2901 8.5588 8.5588 9.6833 9.6833 10.4354 10.4354 k = 0.2667-0.0000-0.0000 ( 4256 PWs) bands (ev): -15.3114 -15.3114 -13.0699 -13.0699 -9.3258 -9.3258 -8.8589 -8.8589 -6.8739 -6.8739 -5.2093 -5.2093 -2.7223 -2.7223 -2.0323 -2.0323 -0.3017 -0.3017 -0.0861 -0.0861 0.5329 0.5329 1.0987 1.0987 2.7344 2.7344 3.5319 3.5319 4.0340 4.0340 4.1724 4.1724 4.4974 4.4974 4.6109 4.6109 7.1955 7.1955 7.9108 7.9108 8.3111 8.3111 8.6271 8.6271 9.6602 9.6602 10.4506 10.4506 k = 0.2778-0.0000-0.0000 ( 4272 PWs) bands (ev): -15.2667 -15.2667 -13.1064 -13.1064 -9.2807 -9.2807 -8.8313 -8.8313 -6.9097 -6.9097 -5.3067 -5.3067 -2.6779 -2.6779 -2.0286 -2.0286 -0.3734 -0.3734 -0.1538 -0.1538 0.5116 0.5116 1.0263 1.0263 2.7267 2.7267 3.5266 3.5266 4.0522 4.0522 4.1849 4.1849 4.5430 4.5430 4.6472 4.6472 7.2419 7.2419 7.9557 7.9557 8.3317 8.3317 8.6913 8.6913 9.6364 9.6364 10.4614 10.4614 k = 0.2889-0.0000-0.0000 ( 4272 PWs) bands (ev): -15.2205 -15.2205 -13.1447 -13.1447 -9.2342 -9.2342 -8.8033 -8.8033 -6.9445 -6.9445 -5.4051 -5.4051 -2.6321 -2.6321 -2.0234 -2.0234 -0.4481 -0.4481 -0.2195 -0.2195 0.4929 0.4929 0.9571 0.9571 2.7208 2.7208 3.5194 3.5194 4.0705 4.0705 4.1974 4.1974 4.5818 4.5818 4.6780 4.6780 7.2938 7.2938 8.0057 8.0057 8.3534 8.3534 8.7495 8.7495 9.6123 9.6123 10.4676 10.4676 k = 0.3000-0.0000-0.0000 ( 4276 PWs) bands (ev): -15.1729 -15.1729 -13.1848 -13.1848 -9.1864 -9.1864 -8.7751 -8.7751 -6.9779 -6.9779 -5.5042 -5.5042 -2.5851 -2.5851 -2.0167 -2.0167 -0.5248 -0.5248 -0.2839 -0.2839 0.4764 0.4764 0.8915 0.8915 2.7167 2.7167 3.5101 3.5101 4.0888 4.0888 4.2100 4.2100 4.6141 4.6141 4.7037 4.7037 7.3509 7.3509 8.0601 8.0601 8.3774 8.3774 8.8006 8.8006 9.5886 9.5886 10.4686 10.4686 k = 0.3111-0.0000-0.0000 ( 4276 PWs) bands (ev): -15.1239 -15.1239 -13.2268 -13.2268 -9.1374 -9.1374 -8.7468 -8.7468 -7.0099 -7.0099 -5.6036 -5.6036 -2.5368 -2.5368 -2.0085 -2.0085 -0.6025 -0.6025 -0.3473 -0.3473 0.4617 0.4617 0.8296 0.8296 2.7144 2.7144 3.4986 3.4986 4.1070 4.1070 4.2224 4.2224 4.6403 4.6403 4.7246 4.7246 7.4125 7.4125 8.1178 8.1178 8.4047 8.4047 8.8435 8.8435 9.5660 9.5660 10.4643 10.4643 k = 0.3222-0.0000-0.0000 ( 4268 PWs) bands (ev): -15.0736 -15.0736 -13.2707 -13.2707 -9.0874 -9.0874 -8.7185 -8.7185 -7.0402 -7.0402 -5.7032 -5.7032 -2.4874 -2.4874 -1.9987 -1.9987 -0.6804 -0.6804 -0.4104 -0.4104 0.4486 0.4486 0.7716 0.7716 2.7141 2.7141 3.4848 3.4848 4.1251 4.1251 4.2347 4.2347 4.6611 4.6611 4.7413 4.7413 7.4777 7.4777 8.1772 8.1772 8.4367 8.4367 8.8778 8.8778 9.5450 9.5450 10.4545 10.4545 k = 0.3333-0.0000-0.0000 ( 4268 PWs) bands (ev): -15.0221 -15.0221 -13.3162 -13.3162 -9.0367 -9.0367 -8.6904 -8.6904 -7.0687 -7.0687 -5.8025 -5.8025 -2.4370 -2.4370 -1.9874 -1.9874 -0.7578 -0.7578 -0.4733 -0.4733 0.4368 0.4368 0.7175 0.7175 2.7158 2.7158 3.4686 3.4686 4.1430 4.1430 4.2467 4.2467 4.6772 4.6772 4.7542 4.7542 7.5456 7.5456 8.2366 8.2366 8.4748 8.4748 8.9029 8.9029 9.5262 9.5262 10.4392 10.4392 k = 0.3444-0.0000-0.0000 ( 4276 PWs) bands (ev): -14.9694 -14.9694 -13.3634 -13.3634 -8.9854 -8.9854 -8.6626 -8.6626 -7.0950 -7.0950 -5.9013 -5.9013 -2.3857 -2.3857 -1.9743 -1.9743 -0.8340 -0.8340 -0.5363 -0.5363 0.4261 0.4261 0.6673 0.6673 2.7196 2.7196 3.4500 3.4500 4.1605 4.1605 4.2582 4.2582 4.6894 4.6894 4.7637 4.7637 7.6152 7.6152 8.2939 8.2939 8.5205 8.5205 8.9190 8.9190 9.5097 9.5097 10.4184 10.4184 k = 0.3556-0.0000-0.0000 ( 4272 PWs) bands (ev): -14.9156 -14.9156 -13.4122 -13.4122 -8.9338 -8.9338 -8.6353 -8.6353 -7.1189 -7.1189 -5.9993 -5.9993 -2.3338 -2.3338 -1.9593 -1.9593 -0.9088 -0.9088 -0.5996 -0.5996 0.4163 0.4163 0.6213 0.6213 2.7257 2.7257 3.4289 3.4289 4.1776 4.1776 4.2692 4.2692 4.6984 4.6984 4.7704 4.7704 7.6855 7.6855 8.3474 8.3474 8.5748 8.5748 8.9265 8.9265 9.4955 9.4955 10.3922 10.3922 k = 0.3667-0.0000-0.0000 ( 4268 PWs) bands (ev): -14.8608 -14.8608 -13.4626 -13.4626 -8.8822 -8.8822 -8.6087 -8.6087 -7.1402 -7.1402 -6.0962 -6.0962 -2.2813 -2.2813 -1.9425 -1.9425 -0.9816 -0.9816 -0.6632 -0.6632 0.4073 0.4073 0.5793 0.5793 2.7341 2.7341 3.4055 3.4055 4.1942 4.1942 4.2797 4.2797 4.7050 4.7050 4.7746 4.7746 7.7554 7.7554 8.3965 8.3965 8.6377 8.6377 8.9267 8.9267 9.4831 9.4831 10.3608 10.3608 k = 0.3778-0.0000-0.0000 ( 4262 PWs) bands (ev): -14.8050 -14.8050 -13.5144 -13.5144 -8.8311 -8.8311 -8.5830 -8.5830 -7.1585 -7.1585 -6.1916 -6.1916 -2.2286 -2.2286 -1.9234 -1.9234 -1.0522 -1.0522 -0.7270 -0.7270 0.3990 0.3990 0.5413 0.5413 2.7448 2.7448 3.3798 3.3798 4.2102 4.2102 4.2893 4.2893 4.7097 4.7097 4.7767 4.7767 7.8240 7.8240 8.4412 8.4412 8.7075 8.7075 8.9214 8.9214 9.4717 9.4717 10.3242 10.3242 k = 0.3889-0.0000-0.0000 ( 4256 PWs) bands (ev): -14.7482 -14.7482 -13.5676 -13.5676 -8.7809 -8.7809 -8.5585 -8.5585 -7.1733 -7.1733 -6.2852 -6.2852 -2.1761 -2.1761 -1.9020 -1.9020 -1.1204 -1.1204 -0.7911 -0.7911 0.3912 0.3912 0.5073 0.5073 2.7579 2.7579 3.3519 3.3519 4.2256 4.2256 4.2982 4.2982 4.7132 4.7132 4.7771 4.7771 7.8905 7.8905 8.4817 8.4817 8.7822 8.7822 8.9131 8.9131 9.4606 9.4606 10.2828 10.2828 k = 0.4000-0.0000-0.0000 ( 4260 PWs) bands (ev): -14.6907 -14.6907 -13.6220 -13.6220 -8.7321 -8.7321 -8.5354 -8.5354 -7.1843 -7.1843 -6.3767 -6.3767 -2.1240 -2.1240 -1.8778 -1.8778 -1.1857 -1.1857 -0.8553 -0.8553 0.3839 0.3839 0.4772 0.4772 2.7735 2.7735 3.3221 3.3221 4.2401 4.2401 4.3061 4.3061 4.7158 4.7158 4.7761 4.7761 7.9544 7.9544 8.5172 8.5172 8.8577 8.8577 8.9069 8.9069 9.4491 9.4491 10.2367 10.2367 k = 0.4111-0.0000-0.0000 ( 4266 PWs) bands (ev): -14.6324 -14.6324 -13.6775 -13.6775 -8.6852 -8.6852 -8.5139 -8.5139 -7.1910 -7.1910 -6.4656 -6.4656 -2.0730 -2.0730 -1.8507 -1.8507 -1.2480 -1.2480 -0.9196 -0.9196 0.3771 0.3771 0.4509 0.4509 2.7915 2.7915 3.2906 3.2906 4.2538 4.2538 4.3130 4.3130 4.7180 4.7180 4.7740 4.7740 8.0153 8.0153 8.5455 8.5455 8.8932 8.8932 8.9457 8.9457 9.4367 9.4367 10.1862 10.1862 k = 0.4222-0.0000-0.0000 ( 4274 PWs) bands (ev): -14.5734 -14.5734 -13.7341 -13.7341 -8.6409 -8.6409 -8.4945 -8.4945 -7.1928 -7.1928 -6.5516 -6.5516 -2.0236 -2.0236 -1.8204 -1.8204 -1.3067 -1.3067 -0.9839 -0.9839 0.3709 0.3709 0.4282 0.4282 2.8118 2.8118 3.2576 3.2576 4.2666 4.2666 4.3189 4.3189 4.7200 4.7200 4.7710 4.7710 8.0730 8.0730 8.5634 8.5634 8.8984 8.8984 9.0221 9.0221 9.4238 9.4238 10.1316 10.1316 k = 0.4333-0.0000-0.0000 ( 4274 PWs) bands (ev): -14.5139 -14.5139 -13.7917 -13.7917 -8.5998 -8.5998 -8.4775 -8.4775 -7.1892 -7.1892 -6.6342 -6.6342 -1.9761 -1.9761 -1.7873 -1.7873 -1.3612 -1.3612 -1.0479 -1.0479 0.3653 0.3653 0.4089 0.4089 2.8345 2.8345 3.2234 3.2234 4.2784 4.2784 4.3235 4.3235 4.7221 4.7221 4.7674 4.7674 8.1278 8.1278 8.5682 8.5682 8.9129 8.9129 9.0965 9.0965 9.4122 9.4122 10.0732 10.0732 k = 0.4444-0.0000-0.0000 ( 4278 PWs) bands (ev): -14.4539 -14.4539 -13.8500 -13.8500 -8.5625 -8.5625 -8.4633 -8.4633 -7.1797 -7.1797 -6.7128 -6.7128 -1.9309 -1.9309 -1.7524 -1.7524 -1.4100 -1.4100 -1.1115 -1.1115 0.3604 0.3604 0.3929 0.3929 2.8594 2.8594 3.1883 3.1883 4.2891 4.2891 4.3270 4.3270 4.7244 4.7244 4.7633 4.7633 8.1797 8.1797 8.5599 8.5599 8.9386 8.9386 9.1613 9.1613 9.4070 9.4070 10.0112 10.0112 k = 0.4556-0.0000-0.0000 ( 4290 PWs) bands (ev): -14.3935 -14.3935 -13.9091 -13.9091 -8.5296 -8.5296 -8.4523 -8.4523 -7.1637 -7.1637 -6.7871 -6.7871 -1.8879 -1.8879 -1.7191 -1.7191 -1.4502 -1.4502 -1.1744 -1.1744 0.3565 0.3565 0.3798 0.3798 2.8863 2.8863 3.1528 3.1528 4.2987 4.2987 4.3292 4.3292 4.7271 4.7271 4.7590 4.7590 8.2291 8.2291 8.5406 8.5406 8.9732 8.9732 9.2046 9.2046 9.4193 9.4193 9.9460 9.9460 k = 0.4667-0.0000-0.0000 ( 4294 PWs) bands (ev): -14.3328 -14.3328 -13.9688 -13.9688 -8.5016 -8.5016 -8.4450 -8.4450 -7.1408 -7.1408 -6.8564 -6.8564 -1.8468 -1.8468 -1.6945 -1.6945 -1.4751 -1.4751 -1.2361 -1.2361 0.3536 0.3536 0.3696 0.3696 2.9153 2.9153 3.1170 3.1170 4.3071 4.3071 4.3300 4.3300 4.7300 4.7300 4.7544 4.7544 8.2762 8.2762 8.5135 8.5135 9.0131 9.0131 9.2160 9.2160 9.4589 9.4589 9.8780 9.8780 k = 0.4778-0.0000-0.0000 ( 4298 PWs) bands (ev): -14.2720 -14.2720 -14.0289 -14.0289 -8.4789 -8.4789 -8.4419 -8.4419 -7.1108 -7.1108 -6.9202 -6.9202 -1.8073 -1.8073 -1.6889 -1.6889 -1.4752 -1.4752 -1.2960 -1.2960 0.3519 0.3519 0.3619 0.3619 2.9459 2.9459 3.0813 3.0813 4.3142 4.3142 4.3296 4.3296 4.7334 4.7334 4.7499 4.7499 8.3213 8.3213 8.4811 8.4811 9.0554 9.0554 9.2018 9.2018 9.5194 9.5194 9.8076 9.8076 k = 0.4889-0.0000-0.0000 ( 4298 PWs) bands (ev): -14.2111 -14.2111 -14.0894 -14.0894 -8.4616 -8.4616 -8.4434 -8.4434 -7.0736 -7.0736 -6.9780 -6.9780 -1.7694 -1.7694 -1.7050 -1.7050 -1.4489 -1.4489 -1.3532 -1.3532 0.3517 0.3517 0.3565 0.3565 2.9781 2.9781 3.0461 3.0461 4.3200 4.3200 4.3277 4.3277 4.7371 4.7371 4.7454 4.7454 8.3645 8.3645 8.4448 8.4448 9.0976 9.0976 9.1735 9.1735 9.5892 9.5892 9.7354 9.7354 k = 0.5000-0.0000-0.0000 ( 4298 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4499 -8.4499 -8.4499 -8.4499 -7.0292 -7.0292 -7.0292 -7.0292 -1.7342 -1.7342 -1.7342 -1.7342 -1.4055 -1.4055 -1.4055 -1.4055 0.3532 0.3532 0.3532 0.3532 3.0116 3.0116 3.0116 3.0116 4.3246 4.3246 4.3246 4.3246 4.7411 4.7411 4.7411 4.7411 8.4058 8.4058 8.4058 8.4058 9.1377 9.1377 9.1377 9.1377 9.6621 9.6621 9.6621 9.6621 k = 0.5000-0.0000-0.0000 ( 4298 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4499 -8.4499 -8.4499 -8.4499 -7.0292 -7.0292 -7.0292 -7.0292 -1.7342 -1.7342 -1.7342 -1.7342 -1.4055 -1.4055 -1.4055 -1.4055 0.3532 0.3532 0.3532 0.3532 3.0116 3.0116 3.0116 3.0116 4.3246 4.3246 4.3246 4.3246 4.7411 4.7411 4.7411 4.7411 8.4058 8.4058 8.4058 8.4058 9.1377 9.1377 9.1377 9.1377 9.6621 9.6621 9.6621 9.6621 k = 0.5000 0.0111-0.0000 ( 4298 PWs) bands (ev): -14.1499 -14.1499 -14.1493 -14.1493 -8.4498 -8.4498 -8.4497 -8.4497 -7.0325 -7.0325 -7.0324 -7.0324 -1.7802 -1.7802 -1.6986 -1.6986 -1.4326 -1.4326 -1.3569 -1.3569 0.3488 0.3488 0.3555 0.3555 3.0115 3.0115 3.0119 3.0119 4.3210 4.3210 4.3234 4.3234 4.7410 4.7410 4.7427 4.7427 8.3814 8.3814 8.4241 8.4241 9.1277 9.1277 9.1430 9.1430 9.6544 9.6544 9.6786 9.6786 k = 0.5000 0.0222-0.0000 ( 4302 PWs) bands (ev): -14.1485 -14.1485 -14.1473 -14.1473 -8.4495 -8.4495 -8.4495 -8.4495 -7.0421 -7.0421 -7.0420 -7.0420 -1.8278 -1.8278 -1.6856 -1.6856 -1.4256 -1.4256 -1.2953 -1.2953 0.3424 0.3424 0.3558 0.3558 3.0118 3.0118 3.0124 3.0124 4.3130 4.3130 4.3177 4.3177 4.7423 4.7423 4.7455 4.7455 8.3516 8.3516 8.4359 8.4359 9.1135 9.1135 9.1440 9.1440 9.6554 9.6554 9.7028 9.7028 k = 0.5000 0.0333-0.0000 ( 4294 PWs) bands (ev): -14.1459 -14.1459 -14.1441 -14.1441 -8.4490 -8.4490 -8.4490 -8.4490 -7.0579 -7.0579 -7.0578 -7.0578 -1.8732 -1.8732 -1.6973 -1.6973 -1.3829 -1.3829 -1.2247 -1.2247 0.3341 0.3341 0.3542 0.3542 3.0122 3.0122 3.0132 3.0132 4.3007 4.3007 4.3075 4.3075 4.7449 4.7449 4.7494 4.7494 8.3167 8.3167 8.4402 8.4402 9.0967 9.0967 9.1415 9.1415 9.6645 9.6645 9.7335 9.7335 k = 0.5000 0.0444-0.0000 ( 4294 PWs) bands (ev): -14.1422 -14.1422 -14.1398 -14.1398 -8.4483 -8.4483 -8.4483 -8.4483 -7.0798 -7.0798 -7.0798 -7.0798 -1.9149 -1.9149 -1.7220 -1.7220 -1.3163 -1.3163 -1.1470 -1.1470 0.3237 0.3237 0.3505 0.3505 3.0129 3.0129 3.0142 3.0142 4.2844 4.2844 4.2933 4.2933 4.7484 4.7484 4.7542 4.7542 8.2771 8.2771 8.4363 8.4363 9.0793 9.0793 9.1369 9.1369 9.6804 9.6804 9.7690 9.7690 k = 0.5000 0.0556-0.0000 ( 4282 PWs) bands (ev): -14.1374 -14.1374 -14.1344 -14.1344 -8.4475 -8.4475 -8.4474 -8.4474 -7.1076 -7.1076 -7.1075 -7.1075 -1.9520 -1.9520 -1.7503 -1.7503 -1.2355 -1.2355 -1.0633 -1.0633 0.3113 0.3113 0.3449 0.3449 3.0138 3.0138 3.0154 3.0154 4.2647 4.2647 4.2754 4.2754 4.7528 4.7528 4.7595 4.7595 8.2331 8.2331 8.4233 8.4233 9.0634 9.0634 9.1313 9.1313 9.7017 9.7017 9.8079 9.8079 k = 0.5000 0.0667-0.0000 ( 4282 PWs) bands (ev): -14.1315 -14.1315 -14.1280 -14.1280 -8.4465 -8.4465 -8.4464 -8.4464 -7.1409 -7.1409 -7.1406 -7.1406 -1.9843 -1.9843 -1.7777 -1.7777 -1.1454 -1.1454 -0.9742 -0.9742 0.2970 0.2970 0.3374 0.3374 3.0149 3.0149 3.0169 3.0169 4.2419 4.2419 4.2542 4.2542 4.7575 4.7575 4.7651 4.7651 8.1849 8.1849 8.4008 8.4008 9.0510 9.0510 9.1256 9.1256 9.7272 9.7272 9.8488 9.8488 k = 0.5000 0.0778-0.0000 ( 4270 PWs) bands (ev): -14.1245 -14.1245 -14.1204 -14.1204 -8.4453 -8.4453 -8.4452 -8.4452 -7.1794 -7.1794 -7.1788 -7.1788 -2.0117 -2.0117 -1.8023 -1.8023 -1.0482 -1.0482 -0.8803 -0.8803 0.2809 0.2809 0.3281 0.3281 3.0162 3.0162 3.0185 3.0185 4.2165 4.2165 4.2302 4.2302 4.7625 4.7625 4.7707 4.7707 8.1328 8.1328 8.3688 8.3688 9.0432 9.0432 9.1207 9.1207 9.7555 9.7555 9.8909 9.8909 k = 0.5000 0.0889-0.0000 ( 4270 PWs) bands (ev): -14.1165 -14.1165 -14.1119 -14.1119 -8.4439 -8.4439 -8.4438 -8.4438 -7.2227 -7.2227 -7.2218 -7.2218 -2.0341 -2.0341 -1.8233 -1.8233 -0.9454 -0.9454 -0.7822 -0.7822 0.2630 0.2630 0.3171 0.3171 3.0176 3.0176 3.0203 3.0203 4.1888 4.1888 4.2038 4.2038 4.7675 4.7675 4.7762 4.7762 8.0772 8.0772 8.3277 8.3277 9.0405 9.0405 9.1170 9.1170 9.7859 9.7859 9.9332 9.9332 k = 0.5000 0.1000-0.0000 ( 4270 PWs) bands (ev): -14.1074 -14.1074 -14.1023 -14.1023 -8.4424 -8.4424 -8.4423 -8.4423 -7.2703 -7.2703 -7.2690 -7.2690 -2.0518 -2.0518 -1.8405 -1.8405 -0.8379 -0.8379 -0.6805 -0.6805 0.2434 0.2434 0.3047 0.3047 3.0192 3.0192 3.0222 3.0222 4.1593 4.1593 4.1754 4.1754 4.7724 4.7724 4.7814 4.7814 8.0181 8.0181 8.2784 8.2784 9.0428 9.0428 9.1150 9.1150 9.8173 9.8173 9.9752 9.9752 k = 0.5000 0.1111-0.0000 ( 4266 PWs) bands (ev): -14.0974 -14.0974 -14.0919 -14.0919 -8.4408 -8.4408 -8.4407 -8.4407 -7.3218 -7.3218 -7.3199 -7.3199 -2.0649 -2.0649 -1.8537 -1.8537 -0.7264 -0.7264 -0.5758 -0.5758 0.2224 0.2224 0.2912 0.2912 3.0208 3.0208 3.0242 3.0242 4.1281 4.1281 4.1454 4.1454 4.7770 4.7770 4.7862 4.7862 7.9560 7.9560 8.2220 8.2220 9.0497 9.0497 9.1147 9.1147 9.8493 9.8493 10.0163 10.0163 k = 0.5000 0.1222-0.0000 ( 4268 PWs) bands (ev): -14.0865 -14.0865 -14.0805 -14.0805 -8.4391 -8.4391 -8.4389 -8.4389 -7.3767 -7.3767 -7.3743 -7.3743 -2.0735 -2.0735 -1.8630 -1.8630 -0.6120 -0.6120 -0.4692 -0.4692 0.2004 0.2004 0.2771 0.2771 3.0225 3.0225 3.0263 3.0263 4.0958 4.0958 4.1140 4.1140 4.7813 4.7813 4.7906 4.7906 7.8910 7.8910 8.1594 8.1594 9.0607 9.0607 9.1165 9.1165 9.8813 9.8813 10.0563 10.0563 k = 0.5000 0.1333-0.0000 ( 4268 PWs) bands (ev): -14.0747 -14.0747 -14.0682 -14.0682 -8.4372 -8.4372 -8.4370 -8.4370 -7.4345 -7.4345 -7.4315 -7.4315 -2.0778 -2.0778 -1.8683 -1.8683 -0.4956 -0.4956 -0.3620 -0.3620 0.1781 0.1781 0.2636 0.2636 3.0241 3.0241 3.0284 3.0284 4.0625 4.0625 4.0817 4.0817 4.7852 4.7852 4.7945 4.7945 7.8233 7.8233 8.0918 8.0918 9.0753 9.0753 9.1203 9.1203 9.9129 9.9129 10.0948 10.0948 k = 0.5000 0.1444-0.0000 ( 4264 PWs) bands (ev): -14.0621 -14.0621 -14.0552 -14.0552 -8.4352 -8.4352 -8.4351 -8.4351 -7.4947 -7.4947 -7.4910 -7.4910 -2.0781 -2.0781 -1.8699 -1.8699 -0.3793 -0.3793 -0.2569 -0.2569 0.1570 0.1570 0.2529 0.2529 3.0257 3.0257 3.0305 3.0305 4.0285 4.0285 4.0486 4.0486 4.7888 4.7888 4.7981 4.7981 7.7534 7.7534 8.0198 8.0198 9.0930 9.0930 9.1263 9.1263 9.9437 9.9437 10.1316 10.1316 k = 0.5000 0.1556-0.0000 ( 4268 PWs) bands (ev): -14.0487 -14.0487 -14.0415 -14.0415 -8.4332 -8.4332 -8.4330 -8.4330 -7.5569 -7.5569 -7.5526 -7.5526 -2.0746 -2.0746 -1.8678 -1.8678 -0.2670 -0.2670 -0.1587 -0.1587 0.1407 0.1407 0.2496 0.2496 3.0272 3.0272 3.0324 3.0324 3.9941 3.9941 4.0151 4.0151 4.7920 4.7920 4.8012 4.8012 7.6812 7.6812 7.9443 7.9443 9.1134 9.1134 9.1345 9.1345 9.9735 9.9735 10.1665 10.1665 k = 0.5000 0.1667-0.0000 ( 4256 PWs) bands (ev): -14.0347 -14.0347 -14.0271 -14.0271 -8.4311 -8.4311 -8.4309 -8.4309 -7.6205 -7.6205 -7.6155 -7.6155 -2.0674 -2.0674 -1.8623 -1.8623 -0.1685 -0.1685 -0.0775 -0.0775 0.1384 0.1384 0.2633 0.2633 3.0285 3.0285 3.0342 3.0342 3.9595 3.9595 3.9814 3.9814 4.7950 4.7950 4.8040 4.8040 7.6072 7.6072 7.8658 7.8658 9.1363 9.1363 9.1448 9.1448 10.0020 10.0020 10.1993 10.1993 k = 0.5000 0.1778-0.0000 ( 4254 PWs) bands (ev): -14.0200 -14.0200 -14.0122 -14.0122 -8.4290 -8.4290 -8.4288 -8.4288 -7.6851 -7.6851 -7.6795 -7.6795 -2.0567 -2.0567 -1.8534 -1.8534 -0.1043 -0.1043 -0.0270 -0.0270 0.1706 0.1706 0.3074 0.3074 3.0296 3.0296 3.0358 3.0358 3.9250 3.9250 3.9476 3.9476 4.7977 4.7977 4.8066 4.8066 7.5315 7.5315 7.7848 7.7848 9.1573 9.1573 9.1614 9.1614 10.0291 10.0291 10.2299 10.2299 k = 0.5000 0.1889-0.0000 ( 4250 PWs) bands (ev): -14.0048 -14.0048 -13.9967 -13.9967 -8.4269 -8.4269 -8.4267 -8.4267 -7.7502 -7.7502 -7.7441 -7.7441 -2.0428 -2.0428 -1.8414 -1.8414 -0.0877 -0.0877 -0.0110 -0.0110 0.2500 0.2500 0.3854 0.3854 3.0303 3.0303 3.0371 3.0371 3.8907 3.8907 3.9141 3.9141 4.8003 4.8003 4.8089 4.8089 7.4544 7.4544 7.7017 7.7017 9.1719 9.1719 9.1885 9.1885 10.0545 10.0545 10.2583 10.2583 k = 0.5000 0.2000-0.0000 ( 4254 PWs) bands (ev): -13.9891 -13.9891 -13.9808 -13.9808 -8.4249 -8.4249 -8.4246 -8.4246 -7.8155 -7.8155 -7.8089 -7.8089 -2.0257 -2.0257 -1.8263 -1.8263 -0.1017 -0.1017 -0.0187 -0.0187 0.3593 0.3593 0.4862 0.4862 3.0307 3.0307 3.0381 3.0381 3.8569 3.8569 3.8810 3.8810 4.8029 4.8029 4.8111 4.8111 7.3761 7.3761 7.6170 7.6170 9.1885 9.1885 9.2174 9.2174 10.0782 10.0782 10.2843 10.2843 k = 0.5000 0.2111-0.0000 ( 4250 PWs) bands (ev): -13.9730 -13.9730 -13.9646 -13.9646 -8.4229 -8.4229 -8.4226 -8.4226 -7.8804 -7.8804 -7.8733 -7.8733 -2.0058 -2.0058 -1.8084 -1.8084 -0.1295 -0.1295 -0.0395 -0.0395 0.4814 0.4814 0.5988 0.5988 3.0306 3.0306 3.0386 3.0386 3.8237 3.8237 3.8485 3.8485 4.8054 4.8054 4.8133 4.8133 7.2969 7.2969 7.5308 7.5308 9.2072 9.2072 9.2481 9.2481 10.1001 10.1001 10.3080 10.3080 k = 0.5000 0.2222-0.0000 ( 4250 PWs) bands (ev): -13.9567 -13.9567 -13.9482 -13.9482 -8.4211 -8.4211 -8.4207 -8.4207 -7.9445 -7.9445 -7.9371 -7.9371 -1.9831 -1.9831 -1.7878 -1.7878 -0.1642 -0.1642 -0.0678 -0.0678 0.6091 0.6091 0.7173 0.7173 3.0300 3.0300 3.0386 3.0386 3.7913 3.7913 3.8168 3.8168 4.8079 4.8079 4.8155 4.8155 7.2170 7.2170 7.4437 7.4437 9.2279 9.2279 9.2803 9.2803 10.1201 10.1201 10.3293 10.3293 k = 0.5000 0.2333-0.0000 ( 4228 PWs) bands (ev): -13.9402 -13.9402 -13.9317 -13.9317 -8.4195 -8.4195 -8.4191 -8.4191 -8.0075 -8.0075 -7.9998 -7.9998 -1.9578 -1.9578 -1.7646 -1.7646 -0.2031 -0.2031 -0.1009 -0.1009 0.7391 0.7391 0.8387 0.8387 3.0287 3.0287 3.0379 3.0379 3.7599 3.7599 3.7860 3.7860 4.8107 4.8107 4.8177 4.8177 7.1367 7.1367 7.3558 7.3558 9.2504 9.2504 9.3139 9.3139 10.1382 10.1382 10.3483 10.3483 k = 0.5000 0.2444-0.0000 ( 4232 PWs) bands (ev): -13.9237 -13.9237 -13.9152 -13.9152 -8.4182 -8.4182 -8.4177 -8.4177 -8.0688 -8.0688 -8.0609 -8.0609 -1.9300 -1.9300 -1.7390 -1.7390 -0.2447 -0.2447 -0.1374 -0.1374 0.8700 0.8700 0.9614 0.9614 3.0267 3.0267 3.0365 3.0365 3.7296 3.7296 3.7563 3.7563 4.8136 4.8136 4.8202 4.8202 7.0564 7.0564 7.2675 7.2675 9.2747 9.2747 9.3488 9.3488 10.1543 10.1543 10.3648 10.3648 k = 0.5000 0.2556-0.0000 ( 4240 PWs) bands (ev): -13.9072 -13.9072 -13.8987 -13.8987 -8.4175 -8.4175 -8.4169 -8.4169 -8.1279 -8.1279 -8.1200 -8.1200 -1.8999 -1.8999 -1.7112 -1.7112 -0.2885 -0.2885 -0.1765 -0.1765 1.0005 1.0005 1.0841 1.0841 3.0238 3.0238 3.0343 3.0343 3.7006 3.7006 3.7277 3.7277 4.8168 4.8168 4.8228 4.8228 6.9762 6.9762 7.1792 7.1792 9.3008 9.3008 9.3848 9.3848 10.1686 10.1686 10.3789 10.3789 k = 0.5000 0.2667-0.0000 ( 4240 PWs) bands (ev): -13.8908 -13.8908 -13.8825 -13.8825 -8.4177 -8.4177 -8.4168 -8.4168 -8.1842 -8.1842 -8.1765 -8.1765 -1.8677 -1.8677 -1.6812 -1.6812 -0.3340 -0.3340 -0.2179 -0.2179 1.1301 1.1301 1.2061 1.2061 3.0200 3.0200 3.0311 3.0311 3.6729 3.6729 3.7004 3.7004 4.8203 4.8203 4.8258 4.8258 6.8967 6.8967 7.0911 7.0911 9.3284 9.3284 9.4217 9.4217 10.1809 10.1809 10.3906 10.3906 k = 0.5000 0.2778-0.0000 ( 4240 PWs) bands (ev): -13.8747 -13.8747 -13.8666 -13.8666 -8.4194 -8.4194 -8.4182 -8.4182 -8.2368 -8.2368 -8.2294 -8.2294 -1.8334 -1.8334 -1.6493 -1.6493 -0.3809 -0.3809 -0.2610 -0.2610 1.2580 1.2580 1.3266 1.3266 3.0152 3.0152 3.0268 3.0268 3.6467 3.6467 3.6744 3.6744 4.8242 4.8242 4.8290 4.8290 6.8183 6.8183 7.0036 7.0036 9.3574 9.3574 9.4592 9.4592 10.1915 10.1915 10.3998 10.3998 k = 0.5000 0.2889-0.0000 ( 4236 PWs) bands (ev): -13.8589 -13.8589 -13.8511 -13.8511 -8.4241 -8.4241 -8.4222 -8.4222 -8.2838 -8.2838 -8.2772 -8.2772 -1.7973 -1.7973 -1.6156 -1.6156 -0.4288 -0.4288 -0.3056 -0.3056 1.3836 1.3836 1.4451 1.4451 3.0092 3.0092 3.0212 3.0212 3.6221 3.6221 3.6498 3.6498 4.8285 4.8285 4.8327 4.8327 6.7412 6.7412 6.9173 6.9173 9.3877 9.3877 9.4970 9.4970 10.2003 10.2003 10.4067 10.4067 k = 0.5000 0.3000-0.0000 ( 4230 PWs) bands (ev): -13.8437 -13.8437 -13.8362 -13.8362 -8.4345 -8.4345 -8.4313 -8.4313 -8.3224 -8.3224 -8.3173 -8.3173 -1.7594 -1.7594 -1.5803 -1.5803 -0.4777 -0.4777 -0.3515 -0.3515 1.5063 1.5063 1.5611 1.5611 3.0019 3.0019 3.0143 3.0143 3.5992 3.5992 3.6267 3.6267 4.8333 4.8333 4.8367 4.8367 6.6662 6.6662 6.8324 6.8324 9.4191 9.4191 9.5347 9.5347 10.2076 10.2076 10.4112 10.4112 k = 0.5000 0.3111-0.0000 ( 4222 PWs) bands (ev): -13.8291 -13.8291 -13.8219 -13.8219 -8.4541 -8.4541 -8.4492 -8.4492 -8.3488 -8.3488 -8.3457 -8.3457 -1.7200 -1.7200 -1.5437 -1.5437 -0.5271 -0.5271 -0.3984 -0.3984 1.6255 1.6255 1.6738 1.6738 2.9932 2.9932 3.0059 3.0059 3.5779 3.5779 3.6051 3.6051 4.8385 4.8385 4.8411 4.8411 6.5936 6.5936 6.7496 6.7496 9.4513 9.4513 9.5720 9.5720 10.2135 10.2135 10.4133 10.4133 k = 0.5000 0.3222-0.0000 ( 4220 PWs) bands (ev): -13.8153 -13.8153 -13.8085 -13.8085 -8.4824 -8.4824 -8.4763 -8.4763 -8.3633 -8.3633 -8.3617 -8.3617 -1.6791 -1.6791 -1.5059 -1.5059 -0.5768 -0.5768 -0.4462 -0.4462 1.7406 1.7406 1.7827 1.7827 2.9830 2.9830 2.9959 2.9959 3.5585 3.5585 3.5849 3.5849 4.8441 4.8441 4.8459 4.8459 6.5242 6.5242 6.6693 6.6693 9.4841 9.4841 9.6083 9.6083 10.2183 10.2183 10.4130 10.4130 k = 0.5000 0.3333-0.0000 ( 4220 PWs) bands (ev): -13.8023 -13.8023 -13.7960 -13.7960 -8.5147 -8.5147 -8.5083 -8.5083 -8.3702 -8.3702 -8.3695 -8.3695 -1.6370 -1.6370 -1.4673 -1.4673 -0.6264 -0.6264 -0.4945 -0.4945 1.8510 1.8510 1.8872 1.8872 2.9712 2.9712 2.9840 2.9840 3.5408 3.5408 3.5663 3.5663 4.8500 4.8500 4.8511 4.8511 6.4586 6.4586 6.5923 6.5923 9.5172 9.5172 9.6429 9.6429 10.2224 10.2224 10.4103 10.4103 k = 0.5000 0.3444-0.0000 ( 4228 PWs) bands (ev): -13.7902 -13.7902 -13.7845 -13.7845 -8.5471 -8.5471 -8.5409 -8.5409 -8.3735 -8.3735 -8.3731 -8.3731 -1.5938 -1.5938 -1.4282 -1.4282 -0.6756 -0.6756 -0.5432 -0.5432 1.9559 1.9559 1.9866 1.9866 2.9576 2.9576 2.9701 2.9701 3.5251 3.5251 3.5492 3.5492 4.8562 4.8562 4.8566 4.8566 6.3975 6.3975 6.5191 6.5191 9.5503 9.5503 9.6752 9.6752 10.2261 10.2261 10.4053 10.4053 k = 0.5000 0.3556-0.0000 ( 4228 PWs) bands (ev): -13.7793 -13.7793 -13.7741 -13.7741 -8.5775 -8.5775 -8.5717 -8.5717 -8.3750 -8.3750 -8.3748 -8.3748 -1.5498 -1.5498 -1.3893 -1.3893 -0.7238 -0.7238 -0.5920 -0.5920 2.0548 2.0548 2.0803 2.0803 2.9422 2.9422 2.9542 2.9542 3.5113 3.5113 3.5336 3.5336 4.8622 4.8622 4.8625 4.8625 6.3417 6.3417 6.4506 6.4506 9.5831 9.5831 9.7044 9.7044 10.2300 10.2300 10.3981 10.3981 k = 0.5000 0.3667-0.0000 ( 4234 PWs) bands (ev): -13.7695 -13.7695 -13.7650 -13.7650 -8.6047 -8.6047 -8.5996 -8.5996 -8.3756 -8.3756 -8.3755 -8.3755 -1.5052 -1.5052 -1.3514 -1.3514 -0.7700 -0.7700 -0.6404 -0.6404 2.1468 2.1468 2.1675 2.1675 2.9250 2.9250 2.9362 2.9362 3.4994 3.4994 3.5196 3.5196 4.8679 4.8679 4.8687 4.8687 6.2921 6.2921 6.3874 6.3874 9.6150 9.6150 9.7295 9.7295 10.2346 10.2346 10.3886 10.3886 k = 0.5000 0.3778-0.0000 ( 4238 PWs) bands (ev): -13.7610 -13.7610 -13.7572 -13.7572 -8.6282 -8.6282 -8.6239 -8.6239 -8.3758 -8.3758 -8.3757 -8.3757 -1.4606 -1.4606 -1.3158 -1.3158 -0.8129 -0.8129 -0.6882 -0.6882 2.2310 2.2310 2.2473 2.2473 2.9062 2.9062 2.9164 2.9164 3.4896 3.4896 3.5072 3.5072 4.8734 4.8734 4.8745 4.8745 6.2495 6.2495 6.3306 6.3306 9.6456 9.6456 9.7497 9.7497 10.2407 10.2407 10.3772 10.3772 k = 0.5000 0.3889-0.0000 ( 4242 PWs) bands (ev): -13.7539 -13.7539 -13.7508 -13.7508 -8.6478 -8.6478 -8.6442 -8.6442 -8.3758 -8.3758 -8.3758 -8.3758 -1.4163 -1.4163 -1.2845 -1.2845 -0.8506 -0.8506 -0.7347 -0.7347 2.3060 2.3060 2.3183 2.3183 2.8863 2.8863 2.8951 2.8951 3.4818 3.4818 3.4965 3.4965 4.8785 4.8785 4.8798 4.8798 6.2149 6.2149 6.2808 6.2808 9.6745 9.6745 9.7642 9.7642 10.2486 10.2486 10.3639 10.3639 k = 0.5000 0.4000-0.0000 ( 4238 PWs) bands (ev): -13.7481 -13.7481 -13.7458 -13.7458 -8.6630 -8.6630 -8.6603 -8.6603 -8.3757 -8.3757 -8.3757 -8.3757 -1.3733 -1.3733 -1.2606 -1.2606 -0.8799 -0.8799 -0.7790 -0.7790 2.3702 2.3702 2.3788 2.3788 2.8664 2.8664 2.8735 2.8735 3.4762 3.4762 3.4876 3.4876 4.8830 4.8830 4.8842 4.8842 6.1889 6.1889 6.2391 6.2391 9.7010 9.7010 9.7725 9.7725 10.2587 10.2587 10.3492 10.3492 k = 0.5000 0.4111-0.0000 ( 4238 PWs) bands (ev): -13.7439 -13.7439 -13.7423 -13.7423 -8.6739 -8.6739 -8.6721 -8.6721 -8.3756 -8.3756 -8.3756 -8.3756 -1.3328 -1.3328 -1.2483 -1.2483 -0.8966 -0.8966 -0.8200 -0.8200 2.4209 2.4209 2.4263 2.4263 2.8486 2.8486 2.8536 2.8536 3.4728 3.4728 3.4805 3.4805 4.8865 4.8865 4.8875 4.8875 6.1723 6.1723 6.2062 6.2062 9.7246 9.7246 9.7744 9.7744 10.2710 10.2710 10.3334 10.3334 k = 0.5000 0.4222-0.0000 ( 4232 PWs) bands (ev): -13.7411 -13.7411 -13.7404 -13.7404 -8.6803 -8.6803 -8.6794 -8.6794 -8.3755 -8.3755 -8.3755 -8.3755 -1.2967 -1.2967 -1.2508 -1.2508 -0.8975 -0.8975 -0.8556 -0.8556 2.4544 2.4544 2.4570 2.4570 2.8359 2.8359 2.8385 2.8385 3.4715 3.4715 3.4755 3.4755 4.8889 4.8889 4.8894 4.8894 6.1656 6.1656 6.1826 6.1826 9.7444 9.7444 9.7700 9.7700 10.2852 10.2852 10.3171 10.3171 k = 0.5000 0.4333-0.0000 ( 4244 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2680 -1.2680 -1.2680 -1.2680 -0.8828 -0.8828 -0.8828 -0.8828 2.4670 2.4670 2.4670 2.4670 2.8320 2.8320 2.8320 2.8320 3.4724 3.4724 3.4724 3.4724 4.8899 4.8899 4.8899 4.8899 6.1690 6.1690 6.1690 6.1690 9.7598 9.7598 9.7598 9.7598 10.3008 10.3008 10.3008 10.3008 k = 0.5000 0.4333-0.0000 ( 4244 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2680 -1.2680 -1.2680 -1.2680 -0.8828 -0.8828 -0.8828 -0.8828 2.4670 2.4670 2.4670 2.4670 2.8320 2.8320 2.8320 2.8320 3.4724 3.4724 3.4724 3.4724 4.8899 4.8899 4.8899 4.8899 6.1690 6.1690 6.1690 6.1690 9.7598 9.7598 9.7598 9.7598 10.3008 10.3008 10.3008 10.3008 k = 0.4889 0.4333-0.0000 ( 4236 PWs) bands (ev): -13.7416 -13.7416 -13.7404 -13.7404 -8.6874 -8.6874 -8.6855 -8.6855 -8.3716 -8.3716 -8.3673 -8.3673 -1.2853 -1.2853 -1.2495 -1.2495 -0.9001 -0.9001 -0.8623 -0.8623 2.4627 2.4627 2.4657 2.4657 2.8326 2.8326 2.8334 2.8334 3.4719 3.4719 3.4720 3.4720 4.8889 4.8889 4.8919 4.8919 6.1700 6.1700 6.1729 6.1729 9.7271 9.7271 9.7873 9.7873 10.2673 10.2673 10.3323 10.3323 k = 0.4778 0.4333-0.0000 ( 4238 PWs) bands (ev): -13.7453 -13.7453 -13.7429 -13.7429 -8.7003 -8.7003 -8.6970 -8.6970 -8.3564 -8.3564 -8.3483 -8.3483 -1.3011 -1.3011 -1.2301 -1.2301 -0.9139 -0.9139 -0.8387 -0.8387 2.4528 2.4528 2.4588 2.4588 2.8349 2.8349 2.8368 2.8368 3.4706 3.4706 3.4707 3.4707 4.8891 4.8891 4.8951 4.8951 6.1757 6.1757 6.1815 6.1815 9.6900 9.6900 9.8087 9.8087 10.2326 10.2326 10.3611 10.3611 k = 0.4667 0.4333-0.0000 ( 4238 PWs) bands (ev): -13.7510 -13.7510 -13.7475 -13.7475 -8.7187 -8.7187 -8.7147 -8.7147 -8.3317 -8.3317 -8.3206 -8.3206 -1.3154 -1.3154 -1.2106 -1.2106 -0.9233 -0.9233 -0.8123 -0.8123 2.4378 2.4378 2.4465 2.4465 2.8388 2.8388 2.8417 2.8417 3.4684 3.4684 3.4685 3.4685 4.8903 4.8903 4.8993 4.8993 6.1860 6.1860 6.1947 6.1947 9.6488 9.6488 9.8230 9.8230 10.1979 10.1979 10.3867 10.3867 k = 0.4556 0.4333-0.0000 ( 4230 PWs) bands (ev): -13.7586 -13.7586 -13.7541 -13.7541 -8.7407 -8.7407 -8.7365 -8.7365 -8.2996 -8.2996 -8.2860 -8.2860 -1.3283 -1.3283 -1.1920 -1.1920 -0.9274 -0.9274 -0.7828 -0.7828 2.4181 2.4181 2.4291 2.4291 2.8436 2.8436 2.8480 2.8480 3.4654 3.4654 3.4655 3.4655 4.8928 4.8928 4.9047 4.9047 6.2009 6.2009 6.2125 6.2125 9.6041 9.6041 9.8286 9.8286 10.1646 10.1646 10.4085 10.4085 k = 0.4444 0.4333-0.0000 ( 4218 PWs) bands (ev): -13.7682 -13.7682 -13.7626 -13.7626 -8.7649 -8.7649 -8.7610 -8.7610 -8.2617 -8.2617 -8.2461 -8.2461 -1.3400 -1.3400 -1.1759 -1.1759 -0.9246 -0.9246 -0.7502 -0.7502 2.3940 2.3940 2.4072 2.4072 2.8491 2.8491 2.8550 2.8550 3.4618 3.4618 3.4618 3.4618 4.8966 4.8966 4.9113 4.9113 6.2199 6.2199 6.2345 6.2345 9.5562 9.5562 9.8241 9.8241 10.1342 10.1342 10.4262 10.4262 k = 0.4333 0.4333-0.0000 ( 4218 PWs) bands (ev): -13.7796 -13.7796 -13.7730 -13.7730 -8.7904 -8.7904 -8.7869 -8.7869 -8.2191 -8.2191 -8.2018 -8.2018 -1.3504 -1.3504 -1.1637 -1.1637 -0.9134 -0.9134 -0.7143 -0.7143 2.3659 2.3659 2.3810 2.3810 2.8547 2.8547 2.8624 2.8624 3.4575 3.4575 3.4575 3.4575 4.9016 4.9016 4.9192 4.9192 6.2430 6.2430 6.2605 6.2605 9.5054 9.5054 9.8082 9.8082 10.1077 10.1077 10.4393 10.4393 k = 0.4222 0.4333-0.0000 ( 4218 PWs) bands (ev): -13.7927 -13.7927 -13.7851 -13.7851 -8.8165 -8.8165 -8.8136 -8.8136 -8.1727 -8.1727 -8.1540 -8.1540 -1.3597 -1.3597 -1.1564 -1.1564 -0.8929 -0.8929 -0.6752 -0.6752 2.3344 2.3344 2.3509 2.3509 2.8600 2.8600 2.8698 2.8698 3.4527 3.4527 3.4528 3.4528 4.9082 4.9082 4.9284 4.9284 6.2696 6.2696 6.2902 6.2902 9.4520 9.4520 9.7810 9.7810 10.0852 10.0852 10.4475 10.4475 k = 0.4111 0.4333-0.0000 ( 4220 PWs) bands (ev): -13.8075 -13.8075 -13.7990 -13.7990 -8.8431 -8.8431 -8.8408 -8.8408 -8.1229 -8.1229 -8.1028 -8.1028 -1.3681 -1.3681 -1.1538 -1.1538 -0.8632 -0.8632 -0.6326 -0.6326 2.2995 2.2995 2.3173 2.3173 2.8649 2.8649 2.8769 2.8769 3.4474 3.4474 3.4478 3.4478 4.9161 4.9161 4.9390 4.9390 6.2996 6.2996 6.3232 6.3232 9.3963 9.3963 9.7436 9.7436 10.0654 10.0654 10.4505 10.4505 k = 0.4000 0.4333-0.0000 ( 4224 PWs) bands (ev): -13.8238 -13.8238 -13.8144 -13.8144 -8.8697 -8.8697 -8.8682 -8.8682 -8.0700 -8.0700 -8.0488 -8.0488 -1.3756 -1.3756 -1.1550 -1.1550 -0.8252 -0.8252 -0.5865 -0.5865 2.2616 2.2616 2.2804 2.2804 2.8690 2.8690 2.8833 2.8833 3.4419 3.4419 3.4425 3.4425 4.9256 4.9256 4.9509 4.9509 6.3326 6.3326 6.3593 6.3593 9.3386 9.3386 9.6979 9.6979 10.0464 10.0464 10.4480 10.4480 k = 0.3889 0.4333-0.0000 ( 4226 PWs) bands (ev): -13.8415 -13.8415 -13.8313 -13.8313 -8.8964 -8.8964 -8.8955 -8.8955 -8.0144 -8.0144 -7.9922 -7.9922 -1.3823 -1.3823 -1.1589 -1.1589 -0.7802 -0.7802 -0.5368 -0.5368 2.2209 2.2209 2.2404 2.2404 2.8723 2.8723 2.8889 2.8889 3.4362 3.4362 3.4371 3.4371 4.9366 4.9366 4.9643 4.9643 6.3681 6.3681 6.3981 6.3981 9.2793 9.2793 9.6459 9.6459 10.0263 10.0263 10.4397 10.4397 k = 0.3778 0.4333-0.0000 ( 4230 PWs) bands (ev): -13.8604 -13.8604 -13.8496 -13.8496 -8.9231 -8.9231 -8.9228 -8.9228 -7.9562 -7.9562 -7.9331 -7.9331 -1.3883 -1.3883 -1.1645 -1.1645 -0.7292 -0.7292 -0.4836 -0.4836 2.1776 2.1776 2.1975 2.1975 2.8744 2.8744 2.8936 2.8936 3.4304 3.4304 3.4316 3.4316 4.9490 4.9490 4.9789 4.9789 6.4058 6.4058 6.4392 6.4392 9.2185 9.2185 9.5891 9.5891 10.0037 10.0037 10.4255 10.4255 k = 0.3667 0.4333-0.0000 ( 4234 PWs) bands (ev): -13.8805 -13.8805 -13.8690 -13.8690 -8.9500 -8.9500 -8.9496 -8.9496 -7.8956 -7.8956 -7.8718 -7.8718 -1.3934 -1.3934 -1.1708 -1.1708 -0.6730 -0.6730 -0.4268 -0.4268 2.1317 2.1317 2.1519 2.1519 2.8756 2.8756 2.8972 2.8972 3.4246 3.4246 3.4262 3.4262 4.9628 4.9628 4.9948 4.9948 6.4453 6.4453 6.4823 6.4823 9.1567 9.1567 9.5288 9.5288 9.9776 9.9776 10.4052 10.4052 k = 0.3556 0.4333-0.0000 ( 4238 PWs) bands (ev): -13.9015 -13.9015 -13.8895 -13.8895 -8.9770 -8.9770 -8.9760 -8.9760 -7.8328 -7.8328 -7.8084 -7.8084 -1.3978 -1.3978 -1.1775 -1.1775 -0.6122 -0.6122 -0.3665 -0.3665 2.0835 2.0835 2.1035 2.1035 2.8756 2.8756 2.8999 2.8999 3.4189 3.4189 3.4208 3.4208 4.9779 4.9779 5.0119 5.0119 6.4863 6.4863 6.5271 6.5271 9.0943 9.0943 9.4658 9.4658 9.9472 9.9472 10.3789 10.3789 k = 0.3444 0.4333-0.0000 ( 4234 PWs) bands (ev): -13.9234 -13.9234 -13.9109 -13.9109 -9.0038 -9.0038 -9.0023 -9.0023 -7.7681 -7.7681 -7.7432 -7.7432 -1.4013 -1.4013 -1.1839 -1.1839 -0.5473 -0.5473 -0.3030 -0.3030 2.0330 2.0330 2.0527 2.0527 2.8747 2.8747 2.9015 2.9015 3.4133 3.4133 3.4155 3.4155 4.9940 4.9940 5.0298 5.0298 6.5284 6.5284 6.5731 6.5731 9.0315 9.0315 9.4010 9.4010 9.9121 9.9121 10.3465 10.3465 k = 0.3333 0.4333-0.0000 ( 4230 PWs) bands (ev): -13.9460 -13.9460 -13.9331 -13.9331 -9.0303 -9.0303 -9.0283 -9.0283 -7.7016 -7.7016 -7.6763 -7.6763 -1.4039 -1.4039 -1.1898 -1.1898 -0.4787 -0.4787 -0.2362 -0.2362 1.9803 1.9803 1.9995 1.9995 2.8728 2.8728 2.9022 2.9022 3.4078 3.4078 3.4103 3.4103 5.0111 5.0111 5.0485 5.0485 6.5712 6.5712 6.6202 6.6202 8.9688 8.9688 9.3349 9.3349 9.8723 9.8723 10.3082 10.3082 k = 0.3222 0.4333-0.0000 ( 4238 PWs) bands (ev): -13.9692 -13.9692 -13.9560 -13.9560 -9.0565 -9.0565 -9.0541 -9.0541 -7.6335 -7.6335 -7.6079 -7.6079 -1.4054 -1.4054 -1.1949 -1.1949 -0.4069 -0.4069 -0.1664 -0.1664 1.9256 1.9256 1.9439 1.9439 2.8702 2.8702 2.9021 2.9021 3.4025 3.4025 3.4052 3.4052 5.0287 5.0287 5.0677 5.0677 6.6144 6.6144 6.6680 6.6680 8.9065 8.9065 9.2680 9.2680 9.8277 9.8277 10.2641 10.2641 k = 0.3111 0.4333-0.0000 ( 4246 PWs) bands (ev): -13.9929 -13.9929 -13.9794 -13.9794 -9.0825 -9.0825 -9.0796 -9.0796 -7.5641 -7.5641 -7.5383 -7.5383 -1.4059 -1.4059 -1.1990 -1.1990 -0.3321 -0.3321 -0.0938 -0.0938 1.8689 1.8689 1.8862 1.8862 2.8670 2.8670 2.9015 2.9015 3.3973 3.3973 3.4002 3.4002 5.0466 5.0466 5.0870 5.0870 6.6577 6.6577 6.7162 6.7162 8.8452 8.8452 9.2007 9.2007 9.7784 9.7784 10.2145 10.2145 k = 0.3000 0.4333-0.0000 ( 4258 PWs) bands (ev): -14.0168 -14.0168 -14.0031 -14.0031 -9.1080 -9.1080 -9.1048 -9.1048 -7.4935 -7.4935 -7.4678 -7.4678 -1.4050 -1.4050 -1.2017 -1.2017 -0.2547 -0.2547 -0.0187 -0.0187 1.8104 1.8104 1.8263 1.8263 2.8634 2.8634 2.9004 2.9004 3.3922 3.3922 3.3953 3.3953 5.0645 5.0645 5.1061 5.1061 6.7007 6.7007 6.7645 6.7645 8.7850 8.7850 9.1333 9.1333 9.7248 9.7248 10.1596 10.1596 k = 0.2889 0.4333-0.0000 ( 4254 PWs) bands (ev): -14.0409 -14.0409 -14.0271 -14.0271 -9.1332 -9.1332 -9.1296 -9.1296 -7.4221 -7.4221 -7.3964 -7.3964 -1.4027 -1.4027 -1.2030 -1.2030 -0.1751 -0.1751 0.0587 0.0587 1.7500 1.7500 1.7644 1.7644 2.8597 2.8597 2.8993 2.8993 3.3871 3.3871 3.3904 3.3904 5.0820 5.0820 5.1248 5.1248 6.7433 6.7433 6.8128 6.8128 8.7265 8.7265 9.0661 9.0661 9.6673 9.6673 10.0999 10.0999 k = 0.2778 0.4333-0.0000 ( 4250 PWs) bands (ev): -14.0650 -14.0650 -14.0512 -14.0512 -9.1579 -9.1579 -9.1541 -9.1541 -7.3500 -7.3500 -7.3246 -7.3246 -1.3988 -1.3988 -1.2026 -1.2026 -0.0936 -0.0936 0.1379 0.1379 1.6879 1.6879 1.7006 1.7006 2.8562 2.8562 2.8983 2.8983 3.3822 3.3822 3.3856 3.3856 5.0988 5.0988 5.1425 5.1425 6.7851 6.7851 6.8607 6.8607 8.6699 8.6699 8.9994 8.9994 9.6065 9.6065 10.0359 10.0359 k = 0.2667 0.4333-0.0000 ( 4246 PWs) bands (ev): -14.0891 -14.0891 -14.0754 -14.0754 -9.1822 -9.1822 -9.1781 -9.1781 -7.2776 -7.2776 -7.2524 -7.2524 -1.3931 -1.3931 -1.2004 -1.2004 -0.0107 -0.0107 0.2186 0.2186 1.6242 1.6242 1.6349 1.6349 2.8532 2.8532 2.8977 2.8977 3.3772 3.3772 3.3808 3.3808 5.1143 5.1143 5.1590 5.1590 6.8258 6.8258 6.9081 6.9081 8.6157 8.6157 8.9333 8.9333 9.5429 9.5429 9.9679 9.9679 k = 0.2556 0.4333-0.0000 ( 4242 PWs) bands (ev): -14.1130 -14.1130 -14.0993 -14.0993 -9.2059 -9.2059 -9.2017 -9.2017 -7.2050 -7.2050 -7.1803 -7.1803 -1.3855 -1.3855 -1.1961 -1.1961 0.0733 0.0733 0.3003 0.3003 1.5589 1.5589 1.5676 1.5676 2.8510 2.8510 2.8979 2.8979 3.3723 3.3723 3.3759 3.3759 5.1283 5.1283 5.1738 5.1738 6.8652 6.8652 6.9546 6.9546 8.5641 8.5641 8.8677 8.8677 9.4775 9.4775 9.8966 9.8966 k = 0.2444 0.4333-0.0000 ( 4244 PWs) bands (ev): -14.1366 -14.1366 -14.1231 -14.1231 -9.2290 -9.2290 -9.2247 -9.2247 -7.1326 -7.1326 -7.1085 -7.1085 -1.3759 -1.3759 -1.1896 -1.1896 0.1578 0.1578 0.3827 0.3827 1.4922 1.4922 1.4988 1.4988 2.8500 2.8500 2.8992 2.8992 3.3673 3.3673 3.3711 3.3711 5.1403 5.1403 5.1865 5.1865 6.9031 6.9031 7.0001 7.0001 8.5152 8.5152 8.8026 8.8026 9.4113 9.4113 9.8226 9.8226 k = 0.2333 0.4333-0.0000 ( 4254 PWs) bands (ev): -14.1598 -14.1598 -14.1465 -14.1465 -9.2515 -9.2515 -9.2471 -9.2471 -7.0607 -7.0607 -7.0372 -7.0372 -1.3640 -1.3640 -1.1808 -1.1808 0.2422 0.2422 0.4650 0.4650 1.4242 1.4242 1.4286 1.4286 2.8505 2.8505 2.9020 2.9020 3.3623 3.3623 3.3662 3.3662 5.1499 5.1499 5.1967 5.1967 6.9392 6.9392 7.0442 7.0442 8.4692 8.4692 8.7377 8.7377 9.3452 9.3452 9.7467 9.7467 k = 0.2222 0.4333-0.0000 ( 4262 PWs) bands (ev): -14.1825 -14.1825 -14.1695 -14.1695 -9.2734 -9.2734 -9.2689 -9.2689 -6.9895 -6.9895 -6.9668 -6.9668 -1.3497 -1.3497 -1.1694 -1.1694 0.3258 0.3258 0.5467 0.5467 1.3550 1.3550 1.3574 1.3574 2.8530 2.8530 2.9066 2.9066 3.3574 3.3574 3.3614 3.3614 5.1568 5.1568 5.2043 5.2043 6.9734 6.9734 7.0868 7.0868 8.4263 8.4263 8.6729 8.6729 9.2804 9.2804 9.6696 9.6696 k = 0.2111 0.4333-0.0000 ( 4266 PWs) bands (ev): -14.2046 -14.2046 -14.1920 -14.1920 -9.2945 -9.2945 -9.2900 -9.2900 -6.9194 -6.9194 -6.8975 -6.8975 -1.3329 -1.3329 -1.1554 -1.1554 0.4078 0.4078 0.6269 0.6269 1.2849 1.2849 1.2857 1.2857 2.8579 2.8579 2.9133 2.9133 3.3524 3.3524 3.3565 3.3565 5.1608 5.1608 5.2087 5.2087 7.0052 7.0052 7.1276 7.1276 8.3863 8.3863 8.6078 8.6078 9.2183 9.2183 9.5923 9.5923 k = 0.2000 0.4333-0.0000 ( 4262 PWs) bands (ev): -14.2260 -14.2260 -14.2138 -14.2138 -9.3149 -9.3149 -9.3104 -9.3104 -6.8506 -6.8506 -6.8296 -6.8296 -1.3133 -1.3133 -1.1387 -1.1387 0.4869 0.4869 0.7046 0.7046 1.2142 1.2142 1.2146 1.2146 2.8655 2.8655 2.9226 2.9226 3.3475 3.3475 3.3517 3.3517 5.1615 5.1615 5.2099 5.2099 7.0346 7.0346 7.1660 7.1660 8.3491 8.3491 8.5422 8.5422 9.1599 9.1599 9.5156 9.5156 k = 0.1889 0.4333-0.0000 ( 4266 PWs) bands (ev): -14.2467 -14.2467 -14.2349 -14.2349 -9.3344 -9.3344 -9.3300 -9.3300 -6.7835 -6.7835 -6.7634 -6.7634 -1.2909 -1.2909 -1.1190 -1.1190 0.5613 0.5613 0.7779 0.7779 1.1444 1.1444 1.1453 1.1453 2.8763 2.8763 2.9346 2.9346 3.3426 3.3426 3.3470 3.3470 5.1589 5.1589 5.2076 5.2076 7.0612 7.0612 7.2019 7.2019 8.3146 8.3146 8.4761 8.4761 9.1063 9.1063 9.4405 9.4405 k = 0.1778 0.4333-0.0000 ( 4258 PWs) bands (ev): -14.2666 -14.2666 -14.2553 -14.2553 -9.3530 -9.3530 -9.3488 -9.3488 -6.7182 -6.7182 -6.6993 -6.6993 -1.2655 -1.2655 -1.0964 -1.0964 0.6275 0.6275 0.8421 0.8421 1.0794 1.0794 1.0811 1.0811 2.8906 2.8906 2.9499 2.9499 3.3378 3.3378 3.3424 3.3424 5.1529 5.1529 5.2017 5.2017 7.0849 7.0849 7.2345 7.2345 8.2825 8.2825 8.4097 8.4097 9.0581 9.0581 9.3681 9.3681 k = 0.1667 0.4333-0.0000 ( 4254 PWs) bands (ev): -14.2855 -14.2855 -14.2747 -14.2747 -9.3708 -9.3708 -9.3666 -9.3666 -6.6552 -6.6552 -6.6374 -6.6374 -1.2371 -1.2371 -1.0707 -1.0707 0.6781 0.6781 0.8802 0.8802 1.0259 1.0259 1.0386 1.0386 2.9088 2.9088 2.9685 2.9685 3.3331 3.3331 3.3380 3.3380 5.1433 5.1433 5.1921 5.1921 7.1052 7.1052 7.2633 7.2633 8.2526 8.2526 8.3438 8.3438 9.0160 9.0160 9.2991 9.2991 k = 0.1556 0.4333-0.0000 ( 4254 PWs) bands (ev): -14.3035 -14.3035 -14.2933 -14.2933 -9.3876 -9.3876 -9.3836 -9.3836 -6.5948 -6.5948 -6.5780 -6.5780 -1.2055 -1.2055 -1.0419 -1.0419 0.6994 0.6994 0.8590 0.8590 0.9975 0.9975 1.0503 1.0503 2.9311 2.9311 2.9907 2.9907 3.3286 3.3286 3.3338 3.3338 5.1304 5.1304 5.1790 5.1790 7.1221 7.1221 7.2876 7.2876 8.2245 8.2245 8.2794 8.2794 8.9800 8.9800 9.2347 9.2347 k = 0.1444 0.4333-0.0000 ( 4252 PWs) bands (ev): -14.3205 -14.3205 -14.3108 -14.3108 -9.4034 -9.4034 -9.3996 -9.3996 -6.5371 -6.5371 -6.5215 -6.5215 -1.1707 -1.1707 -1.0099 -1.0099 0.6801 0.6801 0.7985 0.7985 1.0050 1.0050 1.0960 1.0960 2.9576 2.9576 3.0166 3.0166 3.3243 3.3243 3.3299 3.3299 5.1142 5.1142 5.1623 5.1623 7.1351 7.1351 7.3064 7.3064 8.1982 8.1982 8.2179 8.2179 8.9500 8.9500 9.1755 9.1755 k = 0.1333 0.4333-0.0000 ( 4256 PWs) bands (ev): -14.3363 -14.3363 -14.3273 -14.3273 -9.4182 -9.4182 -9.4146 -9.4146 -6.4825 -6.4825 -6.4681 -6.4681 -1.1326 -1.1326 -0.9749 -0.9749 0.6294 0.6294 0.7265 0.7265 1.0392 1.0392 1.1473 1.1473 2.9883 2.9883 3.0459 3.0459 3.3204 3.3204 3.3265 3.3265 5.0950 5.0950 5.1422 5.1422 7.1442 7.1442 7.3187 7.3187 8.1611 8.1611 8.1734 8.1734 8.9256 8.9256 9.1222 9.1222 k = 0.1222 0.4333-0.0000 ( 4262 PWs) bands (ev): -14.3511 -14.3511 -14.3427 -14.3427 -9.4319 -9.4319 -9.4285 -9.4285 -6.4312 -6.4312 -6.4180 -6.4180 -1.0913 -1.0913 -0.9368 -0.9368 0.5626 0.5626 0.6508 0.6508 1.0843 1.0843 1.1965 1.1965 3.0227 3.0227 3.0786 3.0786 3.3169 3.3169 3.3235 3.3235 5.0731 5.0731 5.1191 5.1191 7.1493 7.1493 7.3238 7.3238 8.1107 8.1107 8.1502 8.1502 8.9062 8.9062 9.0752 9.0752 k = 0.1111 0.4333-0.0000 ( 4258 PWs) bands (ev): -14.3647 -14.3647 -14.3570 -14.3570 -9.4445 -9.4445 -9.4414 -9.4414 -6.3834 -6.3834 -6.3715 -6.3715 -1.0468 -1.0468 -0.8957 -0.8957 0.4886 0.4886 0.5734 0.5734 1.1319 1.1319 1.2415 1.2415 3.0603 3.0603 3.1140 3.1140 3.3140 3.3140 3.3213 3.3213 5.0488 5.0488 5.0932 5.0932 7.1506 7.1506 7.3210 7.3210 8.0683 8.0683 8.1286 8.1286 8.8914 8.8914 9.0345 9.0345 k = 0.1000 0.4333-0.0000 ( 4254 PWs) bands (ev): -14.3771 -14.3771 -14.3701 -14.3701 -9.4560 -9.4560 -9.4531 -9.4531 -6.3395 -6.3395 -6.3288 -6.3288 -0.9992 -0.9992 -0.8519 -0.8519 0.4111 0.4111 0.4954 0.4954 1.1779 1.1779 1.2813 1.2813 3.1002 3.1002 3.1512 3.1512 3.3121 3.3121 3.3202 3.3202 5.0228 5.0228 5.0651 5.0651 7.1484 7.1484 7.3102 7.3102 8.0347 8.0347 8.1088 8.1088 8.8804 8.8804 8.9999 8.9999 k = 0.0889 0.4333-0.0000 ( 4266 PWs) bands (ev): -14.3882 -14.3882 -14.3819 -14.3819 -9.4664 -9.4664 -9.4637 -9.4637 -6.2995 -6.2995 -6.2901 -6.2901 -0.9487 -0.9487 -0.8056 -0.8056 0.3325 0.3325 0.4173 0.4173 1.2208 1.2208 1.3156 1.3156 3.1407 3.1407 3.1887 3.1887 3.3119 3.3119 3.3207 3.3207 4.9955 4.9955 5.0352 5.0352 7.1432 7.1432 7.2924 7.2924 8.0101 8.0101 8.0907 8.0907 8.8727 8.8727 8.9712 8.9712 k = 0.0778 0.4333-0.0000 ( 4250 PWs) bands (ev): -14.3980 -14.3980 -14.3925 -14.3925 -9.4755 -9.4755 -9.4732 -9.4732 -6.2638 -6.2638 -6.2556 -6.2556 -0.8956 -0.8956 -0.7573 -0.7573 0.2540 0.2540 0.3399 0.3399 1.2596 1.2596 1.3445 1.3445 3.1798 3.1798 3.2236 3.2236 3.3152 3.3152 3.3241 3.3241 4.9678 4.9678 5.0044 5.0044 7.1358 7.1358 7.2691 7.2691 7.9937 7.9937 8.0746 8.0746 8.8678 8.8678 8.9478 8.9478 k = 0.0667 0.4333-0.0000 ( 4246 PWs) bands (ev): -14.4065 -14.4065 -14.4017 -14.4017 -9.4835 -9.4835 -9.4814 -9.4814 -6.2324 -6.2324 -6.2254 -6.2254 -0.8401 -0.8401 -0.7078 -0.7078 0.1769 0.1769 0.2635 0.2635 1.2941 1.2941 1.3681 1.3681 3.2141 3.2141 3.2507 3.2507 3.3259 3.3259 3.3321 3.3321 4.9405 4.9405 4.9735 4.9735 7.1273 7.1273 7.2424 7.2424 7.9843 7.9843 8.0602 8.0602 8.8650 8.8650 8.9289 8.9289 k = 0.0556 0.4333-0.0000 ( 4252 PWs) bands (ev): -14.4137 -14.4137 -14.4097 -14.4097 -9.4902 -9.4902 -9.4885 -9.4885 -6.2055 -6.2055 -6.1997 -6.1997 -0.7830 -0.7830 -0.6581 -0.6581 0.1029 0.1029 0.1891 0.1891 1.3242 1.3242 1.3865 1.3865 3.2397 3.2397 3.2658 3.2658 3.3467 3.3467 3.3470 3.3470 4.9148 4.9148 4.9435 4.9435 7.1187 7.1187 7.2144 7.2144 7.9803 7.9803 8.0474 8.0474 8.8640 8.8640 8.9139 8.9139 k = 0.0444 0.4333-0.0000 ( 4248 PWs) bands (ev): -14.4195 -14.4195 -14.4163 -14.4163 -9.4957 -9.4957 -9.4943 -9.4943 -6.1832 -6.1832 -6.1785 -6.1785 -0.7250 -0.7250 -0.6103 -0.6103 0.0341 0.0341 0.1176 0.1176 1.3497 1.3497 1.3999 1.3999 3.2554 3.2554 3.2718 3.2718 3.3685 3.3685 3.3729 3.3729 4.8919 4.8919 4.9157 4.9157 7.1113 7.1113 7.1873 7.1873 7.9803 7.9803 8.0361 8.0361 8.8643 8.8643 8.9021 8.9021 k = 0.0333 0.4333-0.0000 ( 4260 PWs) bands (ev): -14.4240 -14.4240 -14.4216 -14.4216 -9.4999 -9.4999 -9.4989 -9.4989 -6.1656 -6.1656 -6.1622 -6.1622 -0.6678 -0.6678 -0.5677 -0.5677 -0.0259 -0.0259 0.0506 0.0506 1.3708 1.3708 1.4087 1.4087 3.2639 3.2639 3.2737 3.2737 3.3919 3.3919 3.3978 3.3978 4.8729 4.8729 4.8914 4.8914 7.1062 7.1062 7.1626 7.1626 7.9831 7.9831 8.0260 8.0260 8.8657 8.8657 8.8928 8.8928 k = 0.0222 0.4333-0.0000 ( 4256 PWs) bands (ev): -14.4271 -14.4271 -14.4255 -14.4255 -9.5029 -9.5029 -9.5022 -9.5022 -6.1528 -6.1528 -6.1506 -6.1506 -0.6136 -0.6136 -0.5360 -0.5360 -0.0712 -0.0712 -0.0095 -0.0095 1.3876 1.3876 1.4130 1.4130 3.2684 3.2684 3.2741 3.2741 3.4124 3.4124 3.4174 3.4174 4.8593 4.8593 4.8719 4.8719 7.1043 7.1043 7.1415 7.1415 7.9879 7.9879 8.0169 8.0169 8.8680 8.8680 8.8855 8.8855 k = 0.0111 0.4333-0.0000 ( 4256 PWs) bands (ev): -14.4288 -14.4288 -14.4280 -14.4280 -9.5047 -9.5047 -9.5043 -9.5043 -6.1449 -6.1449 -6.1438 -6.1438 -0.5668 -0.5668 -0.5230 -0.5230 -0.0941 -0.0941 -0.0582 -0.0582 1.4002 1.4002 1.4129 1.4129 3.2710 3.2710 3.2736 3.2736 3.4266 3.4266 3.4294 3.4294 4.8519 4.8519 4.8583 4.8583 7.1065 7.1065 7.1250 7.1250 7.9939 7.9939 8.0085 8.0085 8.8710 8.8710 8.8796 8.8796 k = 0.0000 0.4333-0.0000 ( 4252 PWs) bands (ev): -14.4291 -14.4291 -14.4291 -14.4291 -9.5051 -9.5051 -9.5051 -9.5051 -6.1419 -6.1419 -6.1419 -6.1419 -0.5340 -0.5340 -0.5340 -0.5340 -0.0889 -0.0889 -0.0889 -0.0889 1.4087 1.4087 1.4087 1.4087 3.2726 3.2726 3.2726 3.2726 3.4325 3.4325 3.4325 3.4325 4.8515 4.8515 4.8515 4.8515 7.1132 7.1132 7.1133 7.1133 8.0009 8.0009 8.0009 8.0009 8.8749 8.8749 8.8749 8.8749 k = 0.0000 0.4333-0.0000 ( 4252 PWs) bands (ev): -14.4291 -14.4291 -14.4291 -14.4291 -9.5051 -9.5051 -9.5051 -9.5051 -6.1419 -6.1419 -6.1419 -6.1419 -0.5340 -0.5340 -0.5340 -0.5340 -0.0889 -0.0889 -0.0889 -0.0889 1.4087 1.4087 1.4087 1.4087 3.2726 3.2726 3.2726 3.2726 3.4325 3.4325 3.4325 3.4325 4.8515 4.8515 4.8515 4.8515 7.1132 7.1132 7.1133 7.1133 8.0009 8.0009 8.0009 8.0009 8.8749 8.8749 8.8749 8.8749 k = 0.0000 0.4222-0.0000 ( 4252 PWs) bands (ev): -14.4933 -14.4933 -14.3642 -14.3642 -9.5237 -9.5237 -9.4869 -9.4869 -6.1830 -6.1830 -6.0981 -6.0981 -0.5966 -0.5966 -0.4733 -0.4733 -0.1776 -0.1776 0.0014 0.0014 1.3593 1.3593 1.4588 1.4588 3.2672 3.2672 3.2788 3.2788 3.4285 3.4285 3.4362 3.4362 4.8351 4.8351 4.8641 4.8641 7.0352 7.0352 7.1795 7.1795 7.9495 7.9495 8.0626 8.0626 8.8388 8.8388 8.9125 8.9125 k = 0.0000 0.4111-0.0000 ( 4264 PWs) bands (ev): -14.5568 -14.5568 -14.2989 -14.2989 -9.5426 -9.5426 -9.4692 -9.4692 -6.2213 -6.2213 -6.0516 -6.0516 -0.6600 -0.6600 -0.4198 -0.4198 -0.2588 -0.2588 0.0920 0.0920 1.3108 1.3108 1.5095 1.5095 3.2628 3.2628 3.2855 3.2855 3.4241 3.4241 3.4396 3.4396 4.8146 4.8146 4.8730 4.8730 6.9496 6.9496 7.2287 7.2287 7.9142 7.9142 8.1302 8.1302 8.8047 8.8047 8.9513 8.9513 k = 0.0000 0.4000-0.0000 ( 4256 PWs) bands (ev): -14.6195 -14.6195 -14.2332 -14.2332 -9.5617 -9.5617 -9.4521 -9.4521 -6.2569 -6.2569 -6.0024 -6.0024 -0.7238 -0.7238 -0.4113 -0.4113 -0.2948 -0.2948 0.1824 0.1824 1.2633 1.2633 1.5606 1.5606 3.2595 3.2595 3.2928 3.2928 3.4196 3.4196 3.4428 3.4428 4.7897 4.7897 4.8784 4.8784 6.8593 6.8593 7.2552 7.2552 7.9007 7.9007 8.2002 8.2002 8.7732 8.7732 8.9911 8.9911 k = 0.0000 0.3889-0.0000 ( 4258 PWs) bands (ev): -14.6814 -14.6814 -14.1673 -14.1673 -9.5810 -9.5810 -9.4355 -9.4355 -6.2898 -6.2898 -5.9506 -5.9506 -0.7881 -0.7881 -0.4784 -0.4784 -0.2546 -0.2546 0.2722 0.2722 1.2172 1.2172 1.6121 1.6121 3.2574 3.2574 3.3002 3.3002 3.4147 3.4147 3.4457 3.4457 4.7603 4.7603 4.8805 4.8805 6.7666 6.7666 7.2571 7.2571 7.9113 7.9113 8.2700 8.2700 8.7453 8.7453 9.0316 9.0316 k = 0.0000 0.3778-0.0000 ( 4254 PWs) bands (ev): -14.7423 -14.7423 -14.1012 -14.1012 -9.6003 -9.6003 -9.4196 -9.4196 -6.3200 -6.3200 -5.8962 -5.8962 -0.8531 -0.8531 -0.5629 -0.5629 -0.1961 -0.1961 0.3609 0.3609 1.1728 1.1728 1.6638 1.6638 3.2566 3.2566 3.3075 3.3075 3.4096 3.4096 3.4483 3.4483 4.7262 4.7262 4.8792 4.8792 6.6730 6.6730 7.2377 7.2377 7.9426 7.9426 8.3366 8.3366 8.7225 8.7225 9.0727 9.0727 k = 0.0000 0.3667-0.0000 ( 4250 PWs) bands (ev): -14.8021 -14.8021 -14.0350 -14.0350 -9.6196 -9.6196 -9.4043 -9.4043 -6.3475 -6.3475 -5.8392 -5.8392 -0.9192 -0.9192 -0.6493 -0.6493 -0.1342 -0.1342 0.4480 0.4480 1.1304 1.1304 1.7155 1.7155 3.2570 3.2570 3.3144 3.3144 3.4042 3.4042 3.4506 3.4506 4.6873 4.6873 4.8746 4.8746 6.5800 6.5800 7.2036 7.2036 7.9879 7.9879 8.3967 8.3967 8.7078 8.7078 9.1142 9.1142 k = 0.0000 0.3556-0.0000 ( 4254 PWs) bands (ev): -14.8608 -14.8608 -13.9690 -13.9690 -9.6387 -9.6387 -9.3898 -9.3898 -6.3723 -6.3723 -5.7797 -5.7797 -0.9872 -0.9872 -0.7345 -0.7345 -0.0715 -0.0715 0.5328 0.5328 1.0910 1.0910 1.7672 1.7672 3.2589 3.2589 3.3205 3.3205 3.3986 3.3986 3.4526 3.4526 4.6436 4.6436 4.8665 4.8665 6.4888 6.4888 7.1616 7.1616 8.0399 8.0399 8.4459 8.4459 8.7054 8.7054 9.1559 9.1559 k = 0.0000 0.3444-0.0000 ( 4254 PWs) bands (ev): -14.9183 -14.9183 -13.9033 -13.9033 -9.6576 -9.6576 -9.3760 -9.3760 -6.3945 -6.3945 -5.7178 -5.7178 -1.0577 -1.0577 -0.8169 -0.8169 -0.0087 -0.0087 0.6136 0.6136 1.0561 1.0561 1.8187 1.8187 3.2621 3.2621 3.3256 3.3256 3.3927 3.3927 3.4544 3.4544 4.5953 4.5953 4.8547 4.8547 6.4009 6.4009 7.1164 7.1164 8.0931 8.0931 8.4797 8.4797 8.7203 8.7203 9.1976 9.1976 k = 0.0000 0.3333-0.0000 ( 4252 PWs) bands (ev): -14.9746 -14.9746 -13.8379 -13.8379 -9.6761 -9.6761 -9.3630 -9.3630 -6.4140 -6.4140 -5.6536 -5.6536 -1.1315 -1.1315 -0.8955 -0.8955 0.0539 0.0539 0.6874 0.6874 1.0288 1.0288 1.8699 1.8699 3.2666 3.2666 3.3292 3.3292 3.3866 3.3866 3.4560 3.4560 4.5425 4.5425 4.8388 4.8388 6.3173 6.3173 7.0711 7.0711 8.1427 8.1427 8.4991 8.4991 8.7526 8.7526 9.2393 9.2393 k = 0.0000 0.3222-0.0000 ( 4245 PWs) bands (ev): -15.0295 -15.0295 -13.7730 -13.7730 -9.6941 -9.6941 -9.3508 -9.3508 -6.4310 -6.4310 -5.5873 -5.5873 -1.2092 -1.2092 -0.9693 -0.9693 0.1158 0.1158 0.7473 0.7473 1.0161 1.0161 1.9207 1.9207 3.2723 3.2723 3.3309 3.3309 3.3803 3.3803 3.4574 3.4574 4.4856 4.4856 4.8187 4.8187 6.2395 6.2395 7.0278 7.0278 8.1845 8.1845 8.5113 8.5113 8.7968 8.7968 9.2809 9.2809 k = 0.0000 0.3111-0.0000 ( 4249 PWs) bands (ev): -15.0830 -15.0830 -13.7089 -13.7089 -9.7116 -9.7116 -9.3393 -9.3393 -6.4455 -6.4455 -5.5188 -5.5188 -1.2911 -1.2911 -1.0381 -1.0381 0.1769 0.1769 0.7823 0.7823 1.0289 1.0289 1.9710 1.9710 3.2792 3.2792 3.3302 3.3302 3.3740 3.3740 3.4586 3.4586 4.4250 4.4250 4.7938 4.7938 6.1687 6.1687 6.9876 6.9876 8.2153 8.2153 8.5242 8.5242 8.8468 8.8468 9.3223 9.3223 k = 0.0000 0.3000-0.0000 ( 4253 PWs) bands (ev): -15.1351 -15.1351 -13.6455 -13.6455 -9.7284 -9.7284 -9.3287 -9.3287 -6.4574 -6.4574 -5.4485 -5.4485 -1.3768 -1.3768 -1.1019 -1.1019 0.2366 0.2366 0.7886 0.7886 1.0712 1.0712 2.0205 2.0205 3.2870 3.2870 3.3264 3.3264 3.3678 3.3678 3.4596 3.4596 4.3614 4.3614 4.7640 4.7640 6.1060 6.1060 6.9511 6.9511 8.2333 8.2333 8.5421 8.5421 8.8987 8.8987 9.3636 9.3636 k = 0.0000 0.2889-0.0000 ( 4251 PWs) bands (ev): -15.1857 -15.1857 -13.5832 -13.5832 -9.7445 -9.7445 -9.3187 -9.3187 -6.4669 -6.4669 -5.3763 -5.3763 -1.4656 -1.4656 -1.1613 -1.1613 0.2947 0.2947 0.7769 0.7769 1.1325 1.1325 2.0692 2.0692 3.2950 3.2950 3.3195 3.3195 3.3621 3.3621 3.4605 3.4605 4.2955 4.2955 4.7292 4.7292 6.0526 6.0526 6.9185 6.9185 8.2395 8.2395 8.5652 8.5652 8.9507 8.9507 9.4048 9.4048 k = 0.0000 0.2778-0.0000 ( 4249 PWs) bands (ev): -15.2347 -15.2347 -13.5220 -13.5220 -9.7598 -9.7598 -9.3096 -9.3096 -6.4739 -6.4739 -5.3026 -5.3026 -1.5568 -1.5568 -1.2169 -1.2169 0.3502 0.3502 0.7583 0.7583 1.2022 1.2022 2.1170 2.1170 3.2988 3.2988 3.3128 3.3128 3.3572 3.3572 3.4612 3.4612 4.2279 4.2279 4.6896 4.6896 6.0091 6.0091 6.8900 6.8900 8.2367 8.2367 8.5911 8.5911 9.0018 9.0018 9.4459 9.4459 k = 0.0000 0.2667-0.0000 ( 4253 PWs) bands (ev): -15.2822 -15.2822 -13.4620 -13.4620 -9.7742 -9.7742 -9.3011 -9.3011 -6.4785 -6.4785 -5.2275 -5.2275 -1.6497 -1.6497 -1.2691 -1.2691 0.4021 0.4021 0.7391 0.7391 1.2747 1.2747 2.1636 2.1636 3.2867 3.2867 3.3170 3.3170 3.3535 3.3535 3.4619 3.4619 4.1596 4.1596 4.6459 4.6459 5.9758 5.9758 6.8655 6.8655 8.2278 8.2278 8.6168 8.6168 9.0516 9.0516 9.4871 9.4871 k = 0.0000 0.2556-0.0000 ( 4243 PWs) bands (ev): -15.3280 -15.3280 -13.4036 -13.4036 -9.7876 -9.7876 -9.2934 -9.2934 -6.4809 -6.4809 -5.1511 -5.1511 -1.7437 -1.7437 -1.3184 -1.3184 0.4482 0.4482 0.7238 0.7238 1.3474 1.3474 2.2090 2.2090 3.2659 3.2659 3.3228 3.3228 3.3524 3.3524 3.4624 3.4624 4.0913 4.0913 4.5989 4.5989 5.9529 5.9529 6.8445 6.8445 8.2152 8.2152 8.6400 8.6400 9.0999 9.0999 9.5283 9.5283 k = 0.0000 0.2444-0.0000 ( 4247 PWs) bands (ev): -15.3721 -15.3721 -13.3467 -13.3467 -9.8000 -9.8000 -9.2863 -9.2863 -6.4809 -6.4809 -5.0738 -5.0738 -1.8384 -1.8384 -1.3651 -1.3651 0.4850 0.4850 0.7170 0.7170 1.4187 1.4187 2.2530 2.2530 3.2395 3.2395 3.3246 3.3246 3.3559 3.3559 3.4630 3.4630 4.0240 4.0240 4.5499 4.5499 5.9398 5.9398 6.8270 6.8270 8.2004 8.2004 8.6590 8.6590 9.1468 9.1468 9.5697 9.5697 k = 0.0000 0.2333-0.0000 ( 4249 PWs) bands (ev): -15.4145 -15.4145 -13.2915 -13.2915 -9.8114 -9.8114 -9.2799 -9.2799 -6.4788 -6.4788 -4.9957 -4.9957 -1.9333 -1.9333 -1.4093 -1.4093 0.5082 0.5082 0.7233 0.7233 1.4877 1.4877 2.2954 2.2954 3.2081 3.2081 3.3223 3.3223 3.3632 3.3632 3.4635 3.4635 3.9587 3.9587 4.5000 4.5000 5.9360 5.9360 6.8125 6.8125 8.1844 8.1844 8.6728 8.6728 9.1921 9.1921 9.6111 9.6111 k = 0.0000 0.2222-0.0000 ( 4245 PWs) bands (ev): -15.4551 -15.4551 -13.2382 -13.2382 -9.8218 -9.8218 -9.2741 -9.2741 -6.4745 -6.4745 -4.9172 -4.9172 -2.0279 -2.0279 -1.4513 -1.4513 0.5162 0.5162 0.7447 0.7447 1.5534 1.5534 2.3362 2.3362 3.1721 3.1721 3.3179 3.3179 3.3714 3.3714 3.4639 3.4639 3.8965 3.8965 4.4506 4.4506 5.9407 5.9407 6.8007 6.8007 8.1679 8.1679 8.6811 8.6811 9.2359 9.2359 9.6527 9.6527 k = 0.0000 0.2111-0.0000 ( 4251 PWs) bands (ev): -15.4940 -15.4940 -13.1869 -13.1869 -9.8310 -9.8310 -9.2688 -9.2688 -6.4681 -6.4681 -4.8385 -4.8385 -2.1221 -2.1221 -1.4910 -1.4910 0.5128 0.5128 0.7775 0.7775 1.6148 1.6148 2.3750 2.3750 3.1321 3.1321 3.3124 3.3124 3.3788 3.3788 3.4640 3.4640 3.8387 3.8387 4.4028 4.4028 5.9531 5.9531 6.7912 6.7912 8.1512 8.1512 8.6837 8.6837 9.2781 9.2781 9.6943 9.6943 k = 0.0000 0.2000-0.0000 ( 4259 PWs) bands (ev): -15.5310 -15.5310 -13.1378 -13.1378 -9.8392 -9.8392 -9.2641 -9.2641 -6.4598 -6.4598 -4.7600 -4.7600 -2.2154 -2.2154 -1.5287 -1.5287 0.5032 0.5032 0.8165 0.8165 1.6709 1.6709 2.4119 2.4119 3.0893 3.0893 3.3063 3.3063 3.3837 3.3837 3.4636 3.4636 3.7871 3.7871 4.3575 4.3575 5.9725 5.9725 6.7839 6.7839 8.1346 8.1346 8.6806 8.6806 9.3187 9.3187 9.7359 9.7359 k = 0.0000 0.1889-0.0000 ( 4255 PWs) bands (ev): -15.5662 -15.5662 -13.0909 -13.0909 -9.8463 -9.8463 -9.2599 -9.2599 -6.4497 -6.4497 -4.6820 -4.6820 -2.3075 -2.3075 -1.5643 -1.5643 0.4911 0.4911 0.8581 0.8581 1.7206 1.7206 2.4466 2.4466 3.0454 3.0454 3.2995 3.2995 3.3850 3.3850 3.4621 3.4621 3.7436 3.7436 4.3153 4.3153 5.9978 5.9978 6.7782 6.7782 8.1182 8.1182 8.6723 8.6723 9.3575 9.3575 9.7773 9.7773 k = 0.0000 0.1778-0.0000 ( 4259 PWs) bands (ev): -15.5995 -15.5995 -13.0463 -13.0463 -9.8523 -9.8523 -9.2562 -9.2562 -6.4379 -6.4379 -4.6048 -4.6048 -2.3980 -2.3980 -1.5978 -1.5978 0.4785 0.4785 0.9003 0.9003 1.7625 1.7625 2.4791 2.4791 3.0021 3.0021 3.2917 3.2917 3.3813 3.3813 3.4592 3.4592 3.7104 3.7104 4.2764 4.2764 6.0284 6.0284 6.7740 6.7740 8.1022 8.1022 8.6590 8.6590 9.3946 9.3946 9.8184 9.8184 k = 0.0000 0.1667-0.0000 ( 4255 PWs) bands (ev): -15.6309 -15.6309 -13.0042 -13.0042 -9.8574 -9.8574 -9.2529 -9.2529 -6.4246 -6.4246 -4.5288 -4.5288 -2.4865 -2.4865 -1.6293 -1.6293 0.4665 0.4665 0.9420 0.9420 1.7949 1.7949 2.5092 2.5092 2.9617 2.9617 3.2824 3.2824 3.3715 3.3715 3.4554 3.4554 3.6887 3.6887 4.2411 4.2411 6.0635 6.0635 6.7709 6.7709 8.0865 8.0865 8.6414 8.6414 9.4298 9.4298 9.8590 9.8590 k = 0.0000 0.1556-0.0000 ( 4259 PWs) bands (ev): -15.6604 -15.6604 -12.9646 -12.9646 -9.8616 -9.8616 -9.2501 -9.2501 -6.4099 -6.4099 -4.4545 -4.4545 -2.5727 -2.5727 -1.6588 -1.6588 0.4557 0.4557 0.9823 0.9823 1.8166 1.8166 2.5371 2.5371 2.9263 2.9263 3.2703 3.2703 3.3567 3.3567 3.4518 3.4518 3.6780 3.6780 4.2092 4.2092 6.1024 6.1024 6.7687 6.7687 8.0711 8.0711 8.6201 8.6201 9.4630 9.4630 9.8990 9.8990 k = 0.0000 0.1444-0.0000 ( 4251 PWs) bands (ev): -15.6879 -15.6879 -12.9276 -12.9276 -9.8648 -9.8648 -9.2475 -9.2475 -6.3941 -6.3941 -4.3822 -4.3822 -2.6562 -2.6562 -1.6863 -1.6863 0.4466 0.4466 1.0210 1.0210 1.8263 1.8263 2.5630 2.5630 2.8978 2.8978 3.2539 3.2539 3.3399 3.3399 3.4489 3.4489 3.6761 3.6761 4.1805 4.1805 6.1445 6.1445 6.7673 6.7673 8.0560 8.0560 8.5956 8.5956 9.4941 9.4941 9.9381 9.9381 k = 0.0000 0.1333-0.0000 ( 4255 PWs) bands (ev): -15.7135 -15.7135 -12.8932 -12.8932 -9.8673 -9.8673 -9.2453 -9.2453 -6.3774 -6.3774 -4.3126 -4.3126 -2.7364 -2.7364 -1.7117 -1.7117 0.4394 0.4394 1.0577 1.0577 1.8234 1.8234 2.5871 2.5871 2.8771 2.8771 3.2323 3.2323 3.3250 3.3250 3.4468 3.4468 3.6803 3.6803 4.1548 4.1548 6.1889 6.1889 6.7662 6.7662 8.0412 8.0412 8.5687 8.5687 9.5232 9.5232 9.9761 9.9761 k = 0.0000 0.1222-0.0000 ( 4263 PWs) bands (ev): -15.7371 -15.7371 -12.8616 -12.8616 -9.8691 -9.8691 -9.2434 -9.2434 -6.3600 -6.3600 -4.2459 -4.2459 -2.8130 -2.8130 -1.7352 -1.7352 0.4341 0.4341 1.0922 1.0922 1.8084 1.8084 2.6097 2.6097 2.8642 2.8642 3.2063 3.2063 3.3136 3.3136 3.4452 3.4452 3.6884 3.6884 4.1318 4.1318 6.2351 6.2351 6.7654 6.7654 8.0265 8.0265 8.5400 8.5400 9.5501 9.5501 10.0129 10.0129 k = 0.0000 0.1111-0.0000 ( 4261 PWs) bands (ev): -15.7587 -15.7587 -12.8327 -12.8327 -9.8703 -9.8703 -9.2418 -9.2418 -6.3424 -6.3424 -4.1827 -4.1827 -2.8853 -2.8853 -1.7566 -1.7566 0.4309 0.4309 1.1244 1.1244 1.7827 1.7827 2.6311 2.6311 2.8585 2.8585 3.1783 3.1783 3.3052 3.3052 3.4440 3.4440 3.6987 3.6987 4.1113 4.1113 6.2824 6.2824 6.7645 6.7645 8.0119 8.0119 8.5105 8.5105 9.5749 9.5749 10.0481 10.0481 k = 0.0000 0.1000-0.0000 ( 4261 PWs) bands (ev): -15.7782 -15.7782 -12.8065 -12.8065 -9.8709 -9.8709 -9.2404 -9.2404 -6.3248 -6.3248 -4.1236 -4.1236 -2.9530 -2.9530 -1.7759 -1.7759 0.4296 0.4296 1.1540 1.1540 1.7485 1.7485 2.6512 2.6512 2.8583 2.8583 3.1505 3.1505 3.2990 3.2990 3.4431 3.4431 3.7101 3.7101 4.0930 4.0930 6.3301 6.3301 6.7635 6.7635 7.9974 7.9974 8.4808 8.4808 9.5973 9.5973 10.0815 10.0815 k = 0.0000 0.0889-0.0000 ( 4261 PWs) bands (ev): -15.7958 -15.7958 -12.7831 -12.7831 -9.8712 -9.8712 -9.2393 -9.2393 -6.3076 -6.3076 -4.0690 -4.0690 -3.0155 -3.0155 -1.7933 -1.7933 0.4302 0.4302 1.1812 1.1812 1.7084 1.7084 2.6696 2.6696 2.8624 2.8624 3.1245 3.1245 3.2941 3.2941 3.4424 3.4424 3.7218 3.7218 4.0769 4.0769 6.3774 6.3774 6.7620 6.7620 7.9829 7.9829 8.4519 8.4519 9.6175 9.6175 10.1127 10.1127 k = 0.0000 0.0778-0.0000 ( 4261 PWs) bands (ev): -15.8113 -15.8113 -12.7624 -12.7624 -9.8711 -9.8711 -9.2383 -9.2383 -6.2911 -6.2911 -4.0194 -4.0194 -3.0723 -3.0723 -1.8086 -1.8086 0.4323 0.4323 1.2057 1.2057 1.6652 1.6652 2.6861 2.6861 2.8691 2.8691 3.1013 3.1013 3.2903 3.2903 3.4418 3.4418 3.7332 3.7332 4.0628 4.0628 6.4237 6.4237 6.7599 6.7599 7.9686 7.9686 8.4244 8.4244 9.6354 9.6354 10.1414 10.1414 k = 0.0000 0.0667-0.0000 ( 4251 PWs) bands (ev): -15.8247 -15.8247 -12.7445 -12.7445 -9.8708 -9.8708 -9.2375 -9.2375 -6.2758 -6.2758 -3.9753 -3.9753 -3.1228 -3.1228 -1.8219 -1.8219 0.4358 0.4358 1.2276 1.2276 1.6213 1.6213 2.7000 2.7000 2.8775 2.8775 3.0813 3.0813 3.2872 3.2872 3.4413 3.4413 3.7438 3.7438 4.0505 4.0505 6.4681 6.4681 6.7568 6.7568 7.9546 7.9546 8.3992 8.3992 9.6510 9.6510 10.1674 10.1674 k = 0.0000 0.0556-0.0000 ( 4247 PWs) bands (ev): -15.8362 -15.8362 -12.7294 -12.7294 -9.8705 -9.8705 -9.2369 -9.2369 -6.2620 -6.2620 -3.9372 -3.9372 -3.1665 -3.1665 -1.8331 -1.8331 0.4401 0.4401 1.2469 1.2469 1.5790 1.5790 2.7113 2.7113 2.8864 2.8864 3.0648 3.0648 3.2848 3.2848 3.4409 3.4409 3.7533 3.7533 4.0402 4.0402 6.5098 6.5098 6.7526 6.7526 7.9413 7.9413 8.3768 8.3768 9.6642 9.6642 10.1901 10.1901 k = 0.0000 0.0444-0.0000 ( 4255 PWs) bands (ev): -15.8455 -15.8455 -12.7171 -12.7171 -9.8700 -9.8700 -9.2364 -9.2364 -6.2502 -6.2502 -3.9054 -3.9054 -3.2029 -3.2029 -1.8423 -1.8423 0.4448 0.4448 1.2636 1.2636 1.5405 1.5405 2.7198 2.7198 2.8951 2.8951 3.0518 3.0518 3.2829 3.2829 3.4406 3.4406 3.7614 3.7614 4.0316 4.0316 6.5480 6.5480 6.7471 6.7471 7.9292 7.9292 8.3579 8.3579 9.6750 9.6750 10.2093 10.2093 k = 0.0000 0.0333-0.0000 ( 4255 PWs) bands (ev): -15.8528 -15.8528 -12.7075 -12.7075 -9.8696 -9.8696 -9.2360 -9.2360 -6.2406 -6.2406 -3.8803 -3.8803 -3.2317 -3.2317 -1.8494 -1.8494 0.4492 0.4492 1.2775 1.2775 1.5074 1.5074 2.7259 2.7259 2.9027 2.9027 3.0421 3.0421 3.2815 3.2815 3.4404 3.4404 3.7679 3.7679 4.0249 4.0249 6.5817 6.5817 6.7401 6.7401 7.9188 7.9188 8.3429 8.3429 9.6834 9.6834 10.2246 10.2246 k = 0.0000 0.0222-0.0000 ( 4259 PWs) bands (ev): -15.8580 -15.8580 -12.7006 -12.7006 -9.8693 -9.8693 -9.2357 -9.2357 -6.2335 -6.2335 -3.8622 -3.8622 -3.2526 -3.2526 -1.8545 -1.8545 0.4529 0.4529 1.2885 1.2885 1.4818 1.4818 2.7298 2.7298 2.9085 2.9085 3.0354 3.0354 3.2805 3.2805 3.4403 3.4403 3.7727 3.7727 4.0201 4.0201 6.6094 6.6094 6.7323 6.7323 7.9108 7.9108 8.3320 8.3320 9.6894 9.6894 10.2358 10.2358 k = 0.0000 0.0111-0.0000 ( 4247 PWs) bands (ev): -15.8611 -15.8611 -12.6965 -12.6965 -9.8691 -9.8691 -9.2356 -9.2356 -6.2291 -6.2291 -3.8512 -3.8512 -3.2652 -3.2652 -1.8576 -1.8576 0.4554 0.4554 1.2957 1.2957 1.4653 1.4653 2.7320 2.7320 2.9123 2.9123 3.0316 3.0316 3.2799 3.2799 3.4402 3.4402 3.7756 3.7756 4.0172 4.0172 6.6288 6.6288 6.7251 6.7251 7.9057 7.9057 8.3254 8.3254 9.6931 9.6931 10.2426 10.2426 k = 0.0000 0.0000 0.0000 ( 4239 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8690 -9.8690 -9.2355 -9.2355 -6.2277 -6.2277 -3.8476 -3.8476 -3.2694 -3.2694 -1.8586 -1.8586 0.4563 0.4563 1.2982 1.2982 1.4595 1.4595 2.7327 2.7327 2.9135 2.9135 3.0303 3.0303 3.2797 3.2797 3.4402 3.4402 3.7766 3.7766 4.0163 4.0163 6.6362 6.6362 6.7219 6.7219 7.9039 7.9039 8.3232 8.3232 9.6943 9.6943 10.2449 10.2449 k = 0.0000 0.0000 0.0000 ( 4239 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8690 -9.8690 -9.2355 -9.2355 -6.2277 -6.2277 -3.8476 -3.8476 -3.2694 -3.2694 -1.8586 -1.8586 0.4563 0.4563 1.2982 1.2982 1.4595 1.4595 2.7327 2.7327 2.9135 2.9135 3.0303 3.0303 3.2797 3.2797 3.4402 3.4402 3.7766 3.7766 4.0163 4.0163 6.6362 6.6362 6.7219 6.7219 7.9039 7.9039 8.3232 8.3232 9.6943 9.6943 10.2449 10.2449 k = 0.0000 0.0000 0.0109 ( 4237 PWs) bands (ev): -15.8621 -15.8621 -12.6951 -12.6951 -9.8698 -9.8698 -9.2343 -9.2343 -6.2287 -6.2287 -3.8467 -3.8467 -3.2694 -3.2694 -1.8586 -1.8586 0.4562 0.4562 1.2981 1.2981 1.4595 1.4595 2.7211 2.7211 2.9256 2.9256 3.0304 3.0304 3.2779 3.2779 3.4424 3.4424 3.7754 3.7754 4.0177 4.0177 6.6234 6.6234 6.7336 6.7336 7.9027 7.9027 8.3222 8.3222 9.6953 9.6953 10.2457 10.2457 k = 0.0000 0.0000 0.0218 ( 4243 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8722 -9.8722 -9.2305 -9.2305 -6.2319 -6.2319 -3.8440 -3.8440 -3.2694 -3.2694 -1.8586 -1.8586 0.4560 0.4560 1.2978 1.2978 1.4595 1.4595 2.6925 2.6925 2.9552 2.9552 3.0305 3.0305 3.2730 3.2730 3.4487 3.4487 3.7721 3.7721 4.0221 4.0221 6.5956 6.5956 6.7582 6.7582 7.8989 7.8989 8.3192 8.3192 9.6985 9.6985 10.2482 10.2482 k = 0.0000 0.0000 0.0327 ( 4243 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8761 -9.8761 -9.2245 -9.2245 -6.2372 -6.2372 -3.8397 -3.8397 -3.2693 -3.2693 -1.8585 -1.8585 0.4558 0.4558 1.2973 1.2973 1.4595 1.4595 2.6561 2.6561 2.9930 2.9930 3.0309 3.0309 3.2656 3.2656 3.4584 3.4584 3.7668 3.7668 4.0290 4.0290 6.5625 6.5625 6.7860 6.7860 7.8926 7.8926 8.3143 8.3143 9.7036 9.7036 10.2523 10.2523 k = 0.0000 0.0000 0.0436 ( 4259 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8814 -9.8814 -9.2164 -9.2164 -6.2443 -6.2443 -3.8338 -3.8338 -3.2693 -3.2693 -1.8585 -1.8585 0.4554 0.4554 1.2967 1.2967 1.4595 1.4595 2.6168 2.6168 3.0265 3.0265 3.0391 3.0391 3.2566 3.2566 3.4705 3.4705 3.7599 3.7599 4.0380 4.0380 6.5272 6.5272 6.8141 6.8141 7.8842 7.8842 8.3076 8.3076 9.7106 9.7106 10.2579 10.2579 k = 0.0000 0.0000 0.0545 ( 4263 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8878 -9.8878 -9.2064 -9.2064 -6.2532 -6.2532 -3.8264 -3.8264 -3.2692 -3.2692 -1.8584 -1.8584 0.4550 0.4550 1.2958 1.2958 1.4595 1.4595 2.5769 2.5769 3.0294 3.0294 3.0789 3.0789 3.2471 3.2471 3.4844 3.4844 3.7520 3.7520 4.0486 4.0486 6.4909 6.4909 6.8413 6.8413 7.8738 7.8738 8.2993 8.2993 9.7192 9.7192 10.2647 10.2647 k = 0.0000 0.0000 0.0654 ( 4271 PWs) bands (ev): -15.8621 -15.8621 -12.6952 -12.6952 -9.8950 -9.8950 -9.1949 -9.1949 -6.2635 -6.2635 -3.8179 -3.8179 -3.2692 -3.2692 -1.8583 -1.8583 0.4545 0.4545 1.2949 1.2949 1.4595 1.4595 2.5373 2.5373 3.0297 3.0297 3.1207 3.1207 3.2380 3.2380 3.4993 3.4993 3.7434 3.7434 4.0604 4.0604 6.4543 6.4543 6.8673 6.8673 7.8616 7.8616 8.2897 8.2897 9.7291 9.7291 10.2727 10.2727 k = 0.0000 0.0000 0.0763 ( 4259 PWs) bands (ev): -15.8620 -15.8620 -12.6952 -12.6952 -9.9029 -9.9029 -9.1822 -9.1822 -6.2751 -6.2751 -3.8084 -3.8084 -3.2691 -3.2691 -1.8582 -1.8582 0.4539 0.4539 1.2938 1.2938 1.4595 1.4595 2.4989 2.4989 3.0298 3.0298 3.1595 3.1595 3.2314 3.2314 3.5149 3.5149 3.7344 3.7344 4.0729 4.0729 6.4177 6.4177 6.8919 6.8919 7.8480 7.8480 8.2791 8.2791 9.7400 9.7400 10.2817 10.2817 k = 0.0000 0.0000 0.0872 ( 4253 PWs) bands (ev): -15.8620 -15.8620 -12.6952 -12.6952 -9.9112 -9.9112 -9.1687 -9.1687 -6.2876 -6.2876 -3.7982 -3.7982 -3.2691 -3.2691 -1.8581 -1.8581 0.4533 0.4533 1.2926 1.2926 1.4595 1.4595 2.4620 2.4620 3.0299 3.0299 3.1866 3.1866 3.2357 3.2357 3.5308 3.5308 3.7254 3.7254 4.0859 4.0859 6.3817 6.3817 6.9149 6.9149 7.8334 7.8334 8.2676 8.2676 9.7517 9.7517 10.2913 10.2913 k = 0.0000 0.0000 0.0981 ( 4253 PWs) bands (ev): -15.8620 -15.8620 -12.6952 -12.6952 -9.9196 -9.9196 -9.1547 -9.1547 -6.3008 -6.3008 -3.7874 -3.7874 -3.2690 -3.2690 -1.8580 -1.8580 0.4526 0.4526 1.2913 1.2913 1.4595 1.4595 2.4270 2.4270 3.0299 3.0299 3.1908 3.1908 3.2617 3.2617 3.5467 3.5467 3.7165 3.7165 4.0989 4.0989 6.3465 6.3465 6.9362 6.9362 7.8181 7.8181 8.2557 8.2557 9.7639 9.7639 10.3013 10.3013 k = 0.0000 0.0000 0.1090 ( 4257 PWs) bands (ev): -15.8619 -15.8619 -12.6952 -12.6952 -9.9280 -9.9280 -9.1406 -9.1406 -6.3142 -6.3142 -3.7765 -3.7765 -3.2689 -3.2689 -1.8578 -1.8578 0.4519 0.4519 1.2900 1.2900 1.4595 1.4595 2.3942 2.3942 3.0299 3.0299 3.1854 3.1854 3.2959 3.2959 3.5623 3.5623 3.7079 3.7079 4.1116 4.1116 6.3126 6.3126 6.9558 6.9558 7.8026 7.8026 8.2436 8.2436 9.7761 9.7761 10.3115 10.3115 k = 0.0000 0.0000 0.1199 ( 4257 PWs) bands (ev): -15.8619 -15.8619 -12.6952 -12.6952 -9.9361 -9.9361 -9.1267 -9.1267 -6.3276 -6.3276 -3.7657 -3.7657 -3.2689 -3.2689 -1.8577 -1.8577 0.4512 0.4512 1.2888 1.2888 1.4596 1.4596 2.3638 2.3638 3.0299 3.0299 3.1781 3.1781 3.3301 3.3301 3.5775 3.5775 3.6998 3.6998 4.1239 4.1239 6.2803 6.2803 6.9737 6.9737 7.7871 7.7871 8.2315 8.2315 9.7882 9.7882 10.3216 10.3216 k = 0.0000 0.0000 0.1308 ( 4257 PWs) bands (ev): -15.8619 -15.8619 -12.6952 -12.6952 -9.9438 -9.9438 -9.1133 -9.1133 -6.3407 -6.3407 -3.7552 -3.7552 -3.2688 -3.2688 -1.8576 -1.8576 0.4505 0.4505 1.2875 1.2875 1.4596 1.4596 2.3360 2.3360 3.0300 3.0300 3.1709 3.1709 3.3623 3.3623 3.5921 3.5921 3.6923 3.6923 4.1355 4.1355 6.2500 6.2500 6.9897 6.9897 7.7720 7.7720 8.2199 8.2199 9.7998 9.7998 10.3314 10.3314 k = 0.0000 0.0000 0.1417 ( 4261 PWs) bands (ev): -15.8619 -15.8619 -12.6952 -12.6952 -9.9509 -9.9509 -9.1007 -9.1007 -6.3530 -6.3530 -3.7452 -3.7452 -3.2687 -3.2687 -1.8575 -1.8575 0.4499 0.4499 1.2863 1.2863 1.4597 1.4597 2.3110 2.3110 3.0300 3.0300 3.1641 3.1641 3.3916 3.3916 3.6058 3.6058 3.6855 3.6855 4.1462 4.1462 6.2221 6.2221 7.0040 7.0040 7.7578 7.7578 8.2089 8.2089 9.8106 9.8106 10.3407 10.3407 k = 0.0000 0.0000 0.1526 ( 4258 PWs) bands (ev): -15.8618 -15.8618 -12.6952 -12.6952 -9.9573 -9.9573 -9.0892 -9.0892 -6.3645 -6.3645 -3.7361 -3.7361 -3.2687 -3.2687 -1.8574 -1.8574 0.4493 0.4493 1.2852 1.2852 1.4598 1.4598 2.2890 2.2890 3.0299 3.0299 3.1581 3.1581 3.4176 3.4176 3.6184 3.6184 3.6794 3.6794 4.1559 4.1559 6.1971 6.1971 7.0164 7.0164 7.7446 7.7446 8.1989 8.1989 9.8205 9.8205 10.3491 10.3491 k = 0.0000 0.0000 0.1635 ( 4264 PWs) bands (ev): -15.8618 -15.8618 -12.6952 -12.6952 -9.9629 -9.9629 -9.0791 -9.0791 -6.3746 -6.3746 -3.7280 -3.7280 -3.2686 -3.2686 -1.8573 -1.8573 0.4488 0.4488 1.2842 1.2842 1.4598 1.4598 2.2701 2.2701 3.0299 3.0299 3.1529 3.1529 3.4400 3.4400 3.6298 3.6298 3.6742 3.6742 4.1643 4.1643 6.1751 6.1751 7.0270 7.0270 7.7330 7.7330 8.1900 8.1900 9.8292 9.8292 10.3567 10.3567 k = 0.0000 0.0000 0.1744 ( 4250 PWs) bands (ev): -15.8618 -15.8618 -12.6952 -12.6952 -9.9676 -9.9676 -9.0705 -9.0705 -6.3833 -6.3833 -3.7211 -3.7211 -3.2686 -3.2686 -1.8572 -1.8572 0.4483 0.4483 1.2833 1.2833 1.4599 1.4599 2.2545 2.2545 3.0299 3.0299 3.1486 3.1486 3.4585 3.4585 3.6396 3.6396 3.6698 3.6698 4.1714 4.1714 6.1567 6.1567 7.0357 7.0357 7.7230 7.7230 8.1824 8.1824 9.8366 9.8366 10.3631 10.3631 k = 0.0000 0.0000 0.1853 ( 4234 PWs) bands (ev): -15.8618 -15.8618 -12.6952 -12.6952 -9.9713 -9.9713 -9.0636 -9.0636 -6.3903 -6.3903 -3.7156 -3.7156 -3.2685 -3.2685 -1.8571 -1.8571 0.4480 0.4480 1.2826 1.2826 1.4600 1.4600 2.2423 2.2423 3.0299 3.0299 3.1452 3.1452 3.4729 3.4729 3.6476 3.6476 3.6664 3.6664 4.1770 4.1770 6.1420 6.1420 7.0425 7.0425 7.7150 7.7150 8.1764 8.1764 9.8425 9.8425 10.3682 10.3682 k = 0.0000 0.0000 0.1962 ( 4244 PWs) bands (ev): -15.8617 -15.8617 -12.6952 -12.6952 -9.9740 -9.9740 -9.0585 -9.0585 -6.3954 -6.3954 -3.7116 -3.7116 -3.2685 -3.2685 -1.8571 -1.8571 0.4477 0.4477 1.2821 1.2821 1.4600 1.4600 2.2334 2.2334 3.0299 3.0299 3.1428 3.1428 3.4833 3.4833 3.6535 3.6535 3.6639 3.6639 4.1811 4.1811 6.1313 6.1313 7.0473 7.0473 7.7092 7.7092 8.1719 8.1719 9.8468 9.8468 10.3720 10.3720 k = 0.0000 0.0000 0.2071 ( 4236 PWs) bands (ev): -15.8617 -15.8617 -12.6952 -12.6952 -9.9756 -9.9756 -9.0555 -9.0555 -6.3985 -6.3985 -3.7091 -3.7091 -3.2685 -3.2685 -1.8570 -1.8570 0.4476 0.4476 1.2818 1.2818 1.4600 1.4600 2.2281 2.2281 3.0299 3.0299 3.1413 3.1413 3.4895 3.4895 3.6572 3.6572 3.6623 3.6623 4.1836 4.1836 6.1248 6.1248 7.0503 7.0503 7.7056 7.7056 8.1693 8.1693 9.8494 9.8494 10.3743 10.3743 k = 0.0000 0.0000 0.2180 ( 4250 PWs) bands (ev): -15.8617 -15.8617 -12.6952 -12.6952 -9.9762 -9.9762 -9.0545 -9.0545 -6.3996 -6.3996 -3.7083 -3.7083 -3.2685 -3.2685 -1.8570 -1.8570 0.4475 0.4475 1.2817 1.2817 1.4600 1.4600 2.2263 2.2263 3.0299 3.0299 3.1408 3.1408 3.4916 3.4916 3.6585 3.6585 3.6618 3.6618 4.1844 4.1844 6.1226 6.1226 7.0512 7.0512 7.7044 7.7044 8.1683 8.1683 9.8503 9.8503 10.3750 10.3750 k = 0.0000 0.0000 0.2180 ( 4250 PWs) bands (ev): -15.8617 -15.8617 -12.6952 -12.6952 -9.9762 -9.9762 -9.0545 -9.0545 -6.3996 -6.3996 -3.7083 -3.7083 -3.2685 -3.2685 -1.8570 -1.8570 0.4475 0.4475 1.2817 1.2817 1.4600 1.4600 2.2263 2.2263 3.0299 3.0299 3.1408 3.1408 3.4916 3.4916 3.6585 3.6585 3.6618 3.6618 4.1844 4.1844 6.1226 6.1226 7.0512 7.0512 7.7044 7.7044 8.1683 8.1683 9.8503 9.8503 10.3750 10.3750 k = 0.0111-0.0000 0.2180 ( 4246 PWs) bands (ev): -15.8607 -15.8607 -12.6957 -12.6957 -9.9752 -9.9752 -9.0538 -9.0538 -6.4008 -6.4008 -3.7115 -3.7115 -3.2675 -3.2675 -1.8585 -1.8585 0.4463 0.4463 1.2764 1.2764 1.4592 1.4592 2.2278 2.2278 3.0325 3.0325 3.1380 3.1380 3.4944 3.4944 3.6525 3.6525 3.6632 3.6632 4.1848 4.1848 6.1314 6.1314 7.0550 7.0550 7.7055 7.7055 8.1690 8.1690 9.8486 9.8486 10.3735 10.3735 k = 0.0222-0.0000 0.2180 ( 4242 PWs) bands (ev): -15.8578 -15.8578 -12.6973 -12.6973 -9.9723 -9.9723 -9.0517 -9.0517 -6.4047 -6.4047 -3.7209 -3.7209 -3.2646 -3.2646 -1.8628 -1.8628 0.4429 0.4429 1.2612 1.2612 1.4560 1.4560 2.2322 2.2322 3.0401 3.0401 3.1304 3.1304 3.4991 3.4991 3.6407 3.6407 3.6648 3.6648 4.1858 4.1858 6.1573 6.1573 7.0660 7.0660 7.7088 7.7088 8.1709 8.1709 9.8436 9.8436 10.3690 10.3690 k = 0.0333-0.0000 0.2180 ( 4244 PWs) bands (ev): -15.8528 -15.8528 -12.6999 -12.6999 -9.9675 -9.9675 -9.0484 -9.0484 -6.4110 -6.4110 -3.7366 -3.7366 -3.2598 -3.2598 -1.8698 -1.8698 0.4371 0.4371 1.2374 1.2374 1.4491 1.4491 2.2391 2.2391 3.0520 3.0520 3.1199 3.1199 3.4944 3.4944 3.6343 3.6343 3.6668 3.6668 4.1874 4.1874 6.1989 6.1989 7.0840 7.0840 7.7145 7.7145 8.1742 8.1742 9.8353 9.8353 10.3617 10.3617 k = 0.0444-0.0000 0.2180 ( 4244 PWs) bands (ev): -15.8459 -15.8459 -12.7036 -12.7036 -9.9608 -9.9608 -9.0436 -9.0436 -6.4198 -6.4198 -3.7585 -3.7585 -3.2530 -3.2530 -1.8793 -1.8793 0.4289 0.4289 1.2069 1.2069 1.4370 1.4370 2.2479 2.2479 3.0659 3.0659 3.1099 3.1099 3.4684 3.4684 3.6461 3.6461 3.6699 3.6699 4.1898 4.1898 6.2541 6.2541 7.1085 7.1085 7.7228 7.7228 8.1790 8.1790 9.8240 9.8240 10.3515 10.3515 k = 0.0556-0.0000 0.2180 ( 4244 PWs) bands (ev): -15.8369 -15.8369 -12.7084 -12.7084 -9.9521 -9.9521 -9.0376 -9.0376 -6.4311 -6.4311 -3.7865 -3.7865 -3.2443 -3.2443 -1.8910 -1.8910 0.4184 0.4184 1.1711 1.1711 1.4187 1.4187 2.2578 2.2578 3.0743 3.0743 3.1067 3.1067 3.4255 3.4255 3.6688 3.6688 3.6799 3.6799 4.1928 4.1928 6.3203 6.3203 7.1388 7.1388 7.7340 7.7340 8.1854 8.1854 9.8099 9.8099 10.3389 10.3389 k = 0.0667-0.0000 0.2180 ( 4252 PWs) bands (ev): -15.8261 -15.8261 -12.7144 -12.7144 -9.9415 -9.9415 -9.0302 -9.0302 -6.4448 -6.4448 -3.8206 -3.8206 -3.2336 -3.2336 -1.9046 -1.9046 0.4056 0.4056 1.1310 1.1310 1.3936 1.3936 2.2677 2.2677 3.0705 3.0705 3.1121 3.1121 3.3807 3.3807 3.6754 3.6754 3.7168 3.7168 4.1965 4.1965 6.3950 6.3950 7.1741 7.1741 7.7484 7.7484 8.1936 8.1936 9.7935 9.7935 10.3239 10.3239 k = 0.0778-0.0000 0.2180 ( 4244 PWs) bands (ev): -15.8132 -15.8132 -12.7215 -12.7215 -9.9289 -9.9289 -9.0215 -9.0215 -6.4607 -6.4607 -3.8604 -3.8604 -3.2209 -3.2209 -1.9196 -1.9196 0.3904 0.3904 1.0875 1.0875 1.3616 1.3616 2.2759 2.2759 3.0626 3.0626 3.1055 3.1055 3.3532 3.3532 3.6805 3.6805 3.7618 3.7618 4.2009 4.2009 6.4754 6.4754 7.2137 7.2137 7.7663 7.7663 8.2039 8.2039 9.7751 9.7751 10.3068 10.3068 k = 0.0889-0.0000 0.2180 ( 4252 PWs) bands (ev): -15.7984 -15.7984 -12.7298 -12.7298 -9.9144 -9.9144 -9.0116 -9.0116 -6.4788 -6.4788 -3.9060 -3.9060 -3.2064 -3.2064 -1.9357 -1.9357 0.3728 0.3728 1.0410 1.0410 1.3232 1.3232 2.2807 2.2807 3.0544 3.0544 3.0722 3.0722 3.3588 3.3588 3.6862 3.6862 3.8103 3.8103 4.2059 4.2059 6.5592 6.5592 7.2569 7.2569 7.7878 7.7878 8.2166 8.2166 9.7553 9.7553 10.2878 10.2878 k = 0.1000-0.0000 0.2180 ( 4252 PWs) bands (ev): -15.7817 -15.7817 -12.7394 -12.7394 -9.8980 -9.8980 -9.0004 -9.0004 -6.4989 -6.4989 -3.9572 -3.9572 -3.1899 -3.1899 -1.9524 -1.9524 0.3529 0.3529 0.9917 0.9917 1.2790 1.2790 2.2794 2.2794 3.0142 3.0142 3.0515 3.0515 3.3941 3.3941 3.6926 3.6926 3.8606 3.8606 4.2116 4.2116 6.6440 6.6440 7.3032 7.3032 7.8128 7.8128 8.2319 8.2319 9.7348 9.7348 10.2673 10.2673 k = 0.1111-0.0000 0.2180 ( 4246 PWs) bands (ev): -15.7630 -15.7630 -12.7503 -12.7503 -9.8796 -9.8796 -8.9879 -8.9879 -6.5210 -6.5210 -4.0136 -4.0136 -3.1714 -3.1714 -1.9694 -1.9694 0.3306 0.3306 0.9397 0.9397 1.2303 1.2303 2.2692 2.2692 2.9528 2.9528 3.0478 3.0478 3.4480 3.4480 3.6999 3.6999 3.9116 3.9116 4.2178 4.2178 6.7277 6.7277 7.3523 7.3523 7.8410 7.8410 8.2503 8.2503 9.7143 9.7143 10.2453 10.2453 k = 0.1222-0.0000 0.2180 ( 4258 PWs) bands (ev): -15.7425 -15.7425 -12.7626 -12.7626 -9.8593 -9.8593 -8.9744 -8.9744 -6.5449 -6.5449 -4.0750 -4.0750 -3.1511 -3.1511 -1.9862 -1.9862 0.3059 0.3059 0.8848 0.8848 1.1783 1.1783 2.2464 2.2464 2.8950 2.8950 3.0464 3.0464 3.5139 3.5139 3.7081 3.7081 3.9623 3.9623 4.2246 4.2246 6.8084 6.8084 7.4042 7.4042 7.8716 7.8716 8.2721 8.2721 9.6947 9.6947 10.2222 10.2222 k = 0.1333-0.0000 0.2180 ( 4258 PWs) bands (ev): -15.7200 -15.7200 -12.7763 -12.7763 -9.8371 -9.8371 -8.9596 -8.9596 -6.5704 -6.5704 -4.1413 -4.1413 -3.1288 -3.1288 -2.0025 -2.0025 0.2788 0.2788 0.8265 0.8265 1.1244 1.1244 2.2084 2.2084 2.8477 2.8477 3.0470 3.0470 3.5882 3.5882 3.7173 3.7173 4.0119 4.0119 4.2319 4.2319 6.8848 6.8848 7.4588 7.4588 7.9037 7.9037 8.2975 8.2975 9.6767 9.6767 10.1983 10.1983 k = 0.1444-0.0000 0.2180 ( 4264 PWs) bands (ev): -15.6957 -15.6957 -12.7914 -12.7914 -9.8129 -9.8129 -8.9438 -8.9438 -6.5973 -6.5973 -4.2121 -4.2121 -3.1047 -3.1047 -2.0179 -2.0179 0.2493 0.2493 0.7644 0.7644 1.0700 1.0700 2.1540 2.1540 2.8140 2.8140 3.0492 3.0492 3.6684 3.6684 3.7280 3.7280 4.0596 4.0596 4.2398 4.2398 6.9558 6.9558 7.5163 7.5163 7.9362 7.9362 8.3269 8.3269 9.6613 9.6613 10.1737 10.1737 k = 0.1556-0.0000 0.2180 ( 4264 PWs) bands (ev): -15.6695 -15.6695 -12.8081 -12.8081 -9.7867 -9.7867 -8.9269 -8.9269 -6.6255 -6.6255 -4.2871 -4.2871 -3.0788 -3.0788 -2.0322 -2.0322 0.2175 0.2175 0.6984 0.6984 1.0165 1.0165 2.0845 2.0845 2.7939 2.7939 3.0531 3.0531 3.7331 3.7331 3.7603 3.7603 4.1048 4.1048 4.2482 4.2482 7.0209 7.0209 7.5763 7.5763 7.9682 7.9682 8.3601 8.3601 9.6489 9.6489 10.1488 10.1488 k = 0.1667-0.0000 0.2180 ( 4264 PWs) bands (ev): -15.6414 -15.6414 -12.8263 -12.8263 -9.7586 -9.7586 -8.9090 -8.9090 -6.6549 -6.6549 -4.3661 -4.3661 -3.0510 -3.0510 -2.0451 -2.0451 0.1832 0.1832 0.6283 0.6283 0.9647 0.9647 2.0030 2.0030 2.7853 2.7853 3.0583 3.0583 3.7479 3.7479 3.8471 3.8471 4.1469 4.1469 4.2571 4.2571 7.0803 7.0803 7.6384 7.6384 7.9988 7.9988 8.3969 8.3969 9.6402 9.6402 10.1241 10.1241 k = 0.1778-0.0000 0.2180 ( 4268 PWs) bands (ev): -15.6116 -15.6116 -12.8462 -12.8462 -9.7286 -9.7286 -8.8902 -8.8902 -6.6851 -6.6851 -4.4486 -4.4486 -3.0214 -3.0214 -2.0564 -2.0564 0.1464 0.1464 0.5543 0.5543 0.9152 0.9152 1.9130 1.9130 2.7855 2.7855 3.0648 3.0648 3.7610 3.7610 3.9391 3.9391 4.1855 4.1855 4.2667 4.2667 7.1342 7.1342 7.7019 7.7019 8.0275 8.0275 8.4367 8.4367 9.6354 9.6354 10.1001 10.1001 k = 0.1889-0.0000 0.2180 ( 4254 PWs) bands (ev): -15.5799 -15.5799 -12.8678 -12.8678 -9.6967 -9.6967 -8.8704 -8.8704 -6.7160 -6.7160 -4.5346 -4.5346 -2.9900 -2.9900 -2.0659 -2.0659 0.1072 0.1072 0.4770 0.4770 0.8683 0.8683 1.8174 1.8174 2.7921 2.7921 3.0724 3.0724 3.7748 3.7748 4.0325 4.0325 4.2200 4.2200 4.2773 4.2773 7.1832 7.1832 7.7664 7.7664 8.0541 8.0541 8.4788 8.4788 9.6341 9.6341 10.0775 10.0775 k = 0.2000-0.0000 0.2180 ( 4248 PWs) bands (ev): -15.5466 -15.5466 -12.8912 -12.8912 -9.6629 -9.6629 -8.8499 -8.8499 -6.7474 -6.7474 -4.6235 -4.6235 -2.9569 -2.9569 -2.0734 -2.0734 0.0652 0.0652 0.3971 0.3971 0.8238 0.8238 1.7187 1.7187 2.8033 2.8033 3.0810 3.0810 3.7894 3.7894 4.1255 4.1255 4.2500 4.2500 4.2896 4.2896 7.2280 7.2280 7.8314 7.8314 8.0787 8.0787 8.5223 8.5223 9.6356 9.6356 10.0574 10.0574 k = 0.2111-0.0000 0.2180 ( 4244 PWs) bands (ev): -15.5114 -15.5114 -12.9163 -12.9163 -9.6272 -9.6272 -8.8286 -8.8286 -6.7792 -6.7792 -4.7151 -4.7151 -2.9221 -2.9221 -2.0789 -2.0789 0.0204 0.0204 0.3156 0.3156 0.7816 0.7816 1.6186 1.6186 2.8179 2.8179 3.0906 3.0906 3.8049 3.8049 4.2139 4.2139 4.2769 4.2769 4.3051 4.3051 7.2689 7.2689 7.8966 7.8966 8.1016 8.1016 8.5663 8.5663 9.6385 9.6385 10.0409 10.0409 k = 0.2222-0.0000 0.2180 ( 4248 PWs) bands (ev): -15.4746 -15.4746 -12.9433 -12.9433 -9.5897 -9.5897 -8.8066 -8.8066 -6.8110 -6.8110 -4.8091 -4.8091 -2.8856 -2.8856 -2.0823 -2.0823 -0.0275 -0.0275 0.2334 0.2334 0.7414 0.7414 1.5182 1.5182 2.8349 2.8349 3.1010 3.1010 3.8213 3.8213 4.2736 4.2736 4.3120 4.3120 4.3355 4.3355 7.3066 7.3066 7.9621 7.9621 8.1233 8.1233 8.6098 8.6098 9.6408 9.6408 10.0298 10.0298 k = 0.2333-0.0000 0.2180 ( 4252 PWs) bands (ev): -15.4361 -15.4361 -12.9721 -12.9721 -9.5503 -9.5503 -8.7840 -8.7840 -6.8427 -6.8427 -4.9051 -4.9051 -2.8474 -2.8474 -2.0835 -2.0835 -0.0788 -0.0788 0.1516 0.1516 0.7029 0.7029 1.4187 1.4187 2.8539 2.8539 3.1123 3.1123 3.8386 3.8386 4.2937 4.2937 4.3340 4.3340 4.4116 4.4116 7.3413 7.3413 8.0278 8.0278 8.1447 8.1447 8.6521 8.6521 9.6404 9.6404 10.0254 10.0254 k = 0.2444-0.0000 0.2180 ( 4254 PWs) bands (ev): -15.3960 -15.3960 -13.0028 -13.0028 -9.5092 -9.5092 -8.7610 -8.7610 -6.8741 -6.8741 -5.0029 -5.0029 -2.8077 -2.8077 -2.0826 -2.0826 -0.1341 -0.1341 0.0713 0.0713 0.6660 0.6660 1.3207 1.3207 2.8742 2.8742 3.1244 3.1244 3.8566 3.8566 4.3061 4.3061 4.3499 4.3499 4.4940 4.4940 7.3736 7.3736 8.0922 8.0922 8.1680 8.1680 8.6925 8.6925 9.6354 9.6354 10.0290 10.0290 k = 0.2556-0.0000 0.2180 ( 4252 PWs) bands (ev): -15.3544 -15.3544 -13.0354 -13.0354 -9.4664 -9.4664 -8.7375 -8.7375 -6.9050 -6.9050 -5.1022 -5.1022 -2.7664 -2.7664 -2.0794 -2.0794 -0.1937 -0.1937 -0.0066 -0.0066 0.6304 0.6304 1.2248 1.2248 2.8957 2.8957 3.1372 3.1372 3.8755 3.8755 4.3164 4.3164 4.3630 4.3630 4.5728 4.5728 7.4040 7.4040 8.1477 8.1477 8.2017 8.2017 8.7302 8.7302 9.6247 9.6247 10.0405 10.0405 k = 0.2667-0.0000 0.2180 ( 4246 PWs) bands (ev): -15.3111 -15.3111 -13.0699 -13.0699 -9.4219 -9.4219 -8.7137 -8.7137 -6.9353 -6.9353 -5.2026 -5.2026 -2.7236 -2.7236 -2.0741 -2.0741 -0.2579 -0.2579 -0.0812 -0.0812 0.5959 0.5959 1.1315 1.1315 2.9181 2.9181 3.1508 3.1508 3.8951 3.8951 4.3256 4.3256 4.3734 4.3734 4.6459 4.6459 7.4333 7.4333 8.1818 8.1818 8.2585 8.2585 8.7648 8.7648 9.6085 9.6085 10.0591 10.0591 k = 0.2778-0.0000 0.2180 ( 4254 PWs) bands (ev): -15.2664 -15.2664 -13.1063 -13.1063 -9.3758 -9.3758 -8.6898 -8.6898 -6.9646 -6.9646 -5.3038 -5.3038 -2.6794 -2.6794 -2.0666 -2.0666 -0.3266 -0.3266 -0.1523 -0.1523 0.5623 0.5623 1.0412 1.0412 2.9412 2.9412 3.1649 3.1649 3.9153 3.9153 4.3341 4.3341 4.3816 4.3816 4.7121 4.7121 7.4623 7.4623 8.2048 8.2048 8.3285 8.3285 8.7961 8.7961 9.5875 9.5875 10.0830 10.0830 k = 0.2889-0.0000 0.2180 ( 4258 PWs) bands (ev): -15.2202 -15.2202 -13.1446 -13.1446 -9.3282 -9.3282 -8.6657 -8.6657 -6.9930 -6.9930 -5.4056 -5.4056 -2.6337 -2.6337 -2.0569 -2.0569 -0.3989 -0.3989 -0.2203 -0.2203 0.5296 0.5296 0.9542 0.9542 2.9648 2.9648 3.1795 3.1795 3.9361 3.9361 4.3418 4.3418 4.3879 4.3879 4.7705 4.7705 7.4919 7.4919 8.2250 8.2250 8.4032 8.4032 8.8239 8.8239 9.5629 9.5629 10.1102 10.1102 k = 0.3000-0.0000 0.2180 ( 4254 PWs) bands (ev): -15.1726 -15.1726 -13.1848 -13.1848 -9.2792 -9.2792 -8.6417 -8.6417 -7.0201 -7.0201 -5.5077 -5.5077 -2.5868 -2.5868 -2.0452 -2.0452 -0.4737 -0.4737 -0.2858 -0.2858 0.4977 0.4977 0.8709 0.8709 2.9888 2.9888 3.1947 3.1947 3.9575 3.9575 4.3489 4.3489 4.3927 4.3927 4.8204 4.8204 7.5228 7.5228 8.2446 8.2446 8.4798 8.4798 8.8485 8.8485 9.5357 9.5357 10.1390 10.1390 k = 0.3111-0.0000 0.2180 ( 4262 PWs) bands (ev): -15.1236 -15.1236 -13.2268 -13.2268 -9.2290 -9.2290 -8.6179 -8.6179 -7.0459 -7.0459 -5.6097 -5.6097 -2.5386 -2.5386 -2.0315 -2.0315 -0.5498 -0.5498 -0.3499 -0.3499 0.4665 0.4665 0.7914 0.7914 3.0131 3.0131 3.2102 3.2102 3.9793 3.9793 4.3552 4.3552 4.3964 4.3964 4.8614 4.8614 7.5558 7.5558 8.2640 8.2640 8.5566 8.5566 8.8707 8.8707 9.5070 9.5070 10.1678 10.1678 k = 0.3222-0.0000 0.2180 ( 4264 PWs) bands (ev): -15.0734 -15.0734 -13.2706 -13.2706 -9.1776 -9.1776 -8.5944 -8.5944 -7.0701 -7.0701 -5.7114 -5.7114 -2.4892 -2.4892 -2.0158 -2.0158 -0.6261 -0.6261 -0.4130 -0.4130 0.4360 0.4360 0.7160 0.7160 3.0375 3.0375 3.2259 3.2259 4.0014 4.0014 4.3609 4.3609 4.3993 4.3993 4.8933 4.8933 7.5912 7.5912 8.2835 8.2835 8.6310 8.6310 8.8926 8.8926 9.4774 9.4774 10.1952 10.1952 k = 0.3333-0.0000 0.2180 ( 4264 PWs) bands (ev): -15.0219 -15.0219 -13.3162 -13.3162 -9.1253 -9.1253 -8.5714 -8.5714 -7.0925 -7.0925 -5.8125 -5.8125 -2.4388 -2.4388 -1.9981 -1.9981 -0.7019 -0.7019 -0.4759 -0.4759 0.4061 0.4061 0.6450 0.6450 3.0619 3.0619 3.2417 3.2417 4.0238 4.0238 4.3659 4.3659 4.4017 4.4017 4.9161 4.9161 7.6295 7.6295 8.3030 8.3030 8.6987 8.6987 8.9178 8.9178 9.4477 9.4477 10.2202 10.2202 k = 0.3444-0.0000 0.2180 ( 4266 PWs) bands (ev): -14.9692 -14.9692 -13.3634 -13.3634 -9.0723 -9.0723 -8.5491 -8.5491 -7.1130 -7.1130 -5.9127 -5.9127 -2.3873 -2.3873 -1.9784 -1.9784 -0.7766 -0.7766 -0.5386 -0.5386 0.3770 0.3770 0.5784 0.5784 3.0863 3.0863 3.2574 3.2574 4.0464 4.0464 4.3704 4.3704 4.4039 4.4039 4.9301 4.9301 7.6704 7.6704 8.3224 8.3224 8.7529 8.7529 8.9528 8.9528 9.4186 9.4186 10.2419 10.2419 k = 0.3556-0.0000 0.2180 ( 4258 PWs) bands (ev): -14.9154 -14.9154 -13.4122 -13.4122 -9.0187 -9.0187 -8.5277 -8.5277 -7.1312 -7.1312 -6.0117 -6.0117 -2.3351 -2.3351 -1.9569 -1.9569 -0.8498 -0.8498 -0.6014 -0.6014 0.3486 0.3486 0.5164 0.5164 3.1104 3.1104 3.2728 3.2728 4.0690 4.0690 4.3744 4.3744 4.4061 4.4061 4.9358 4.9358 7.7140 7.7140 8.3414 8.3414 8.7879 8.7879 9.0026 9.0026 9.3910 9.3910 10.2596 10.2596 k = 0.3667-0.0000 0.2180 ( 4264 PWs) bands (ev): -14.8606 -14.8606 -13.4626 -13.4626 -8.9649 -8.9649 -8.5074 -8.5074 -7.1471 -7.1471 -6.1092 -6.1092 -2.2821 -2.2821 -1.9335 -1.9335 -0.9211 -0.9211 -0.6644 -0.6644 0.3211 0.3211 0.4591 0.4591 3.1343 3.1343 3.2877 3.2877 4.0915 4.0915 4.3780 4.3780 4.4086 4.4086 4.9338 4.9338 7.7596 7.7596 8.3598 8.3598 8.8058 8.8058 9.0638 9.0638 9.3665 9.3665 10.2726 10.2726 k = 0.3778-0.0000 0.2180 ( 4260 PWs) bands (ev): -14.8047 -14.8047 -13.5144 -13.5144 -8.9112 -8.9112 -8.4883 -8.4883 -7.1603 -7.1603 -6.2048 -6.2048 -2.2287 -2.2287 -1.9081 -1.9081 -0.9903 -0.9903 -0.7276 -0.7276 0.2946 0.2946 0.4067 0.4067 3.1577 3.1577 3.3019 3.3019 4.1139 4.1139 4.3811 4.3811 4.4119 4.4119 4.9249 4.9249 7.8069 7.8069 8.3769 8.3769 8.8131 8.8131 9.1262 9.1262 9.3495 9.3495 10.2807 10.2807 k = 0.3889-0.0000 0.2180 ( 4256 PWs) bands (ev): -14.7480 -14.7480 -13.5675 -13.5675 -8.8579 -8.8579 -8.4709 -8.4709 -7.1705 -7.1705 -6.2982 -6.2982 -2.1749 -2.1749 -1.8808 -1.8808 -1.0571 -1.0571 -0.7909 -0.7909 0.2692 0.2692 0.3591 0.3591 3.1805 3.1805 3.3150 3.3150 4.1360 4.1360 4.3832 4.3832 4.4165 4.4165 4.9099 4.9099 7.8553 7.8553 8.3921 8.3921 8.8149 8.8149 9.1739 9.1739 9.3512 9.3512 10.2833 10.2833 k = 0.4000-0.0000 0.2180 ( 4264 PWs) bands (ev): -14.6905 -14.6905 -13.6219 -13.6219 -8.8054 -8.8054 -8.4553 -8.4553 -7.1774 -7.1774 -6.3890 -6.3890 -2.1210 -2.1210 -1.8516 -1.8516 -1.1214 -1.1214 -0.8542 -0.8542 0.2451 0.2451 0.3165 0.3165 3.2026 3.2026 3.3269 3.3269 4.1577 4.1577 4.3840 4.3840 4.4233 4.4233 4.8897 4.8897 7.9041 7.9041 8.4045 8.4045 8.8149 8.8149 9.1899 9.1899 9.3861 9.3861 10.2803 10.2803 k = 0.4111-0.0000 0.2180 ( 4264 PWs) bands (ev): -14.6322 -14.6322 -13.6775 -13.6775 -8.7543 -8.7543 -8.4419 -8.4419 -7.1806 -7.1806 -6.4769 -6.4769 -2.0674 -2.0674 -1.8203 -1.8203 -1.1830 -1.1830 -0.9175 -0.9175 0.2225 0.2225 0.2787 0.2787 3.2239 3.2239 3.3373 3.3373 4.1789 4.1789 4.3830 4.3830 4.4328 4.4328 4.8651 4.8651 7.9528 7.9528 8.4131 8.4131 8.8154 8.8154 9.1797 9.1797 9.4470 9.4470 10.2714 10.2714 k = 0.4222-0.0000 0.2180 ( 4264 PWs) bands (ev): -14.5732 -14.5732 -13.7341 -13.7341 -8.7051 -8.7051 -8.4310 -8.4310 -7.1796 -7.1796 -6.5614 -6.5614 -2.0142 -2.0142 -1.7872 -1.7872 -1.2416 -1.2416 -0.9806 -0.9806 0.2017 0.2017 0.2458 0.2458 3.2442 3.2442 3.3460 3.3460 4.1996 4.1996 4.3804 4.3804 4.4451 4.4451 4.8372 4.8372 8.0008 8.0008 8.4168 8.4168 8.8184 8.8184 9.1580 9.1580 9.5182 9.5182 10.2566 10.2566 k = 0.4333-0.0000 0.2180 ( 4274 PWs) bands (ev): -14.5137 -14.5137 -13.7916 -13.7916 -8.6582 -8.6582 -8.4229 -8.4229 -7.1740 -7.1740 -6.6420 -6.6420 -1.9619 -1.9619 -1.7525 -1.7525 -1.2966 -1.2966 -1.0432 -1.0432 0.1831 0.1831 0.2175 0.2175 3.2633 3.2633 3.3527 3.3527 4.2195 4.2195 4.3761 4.3761 4.4602 4.4602 4.8066 4.8066 8.0478 8.0478 8.4149 8.4149 8.8252 8.8252 9.1316 9.1316 9.5921 9.5921 10.2359 10.2359 k = 0.4444-0.0000 0.2180 ( 4274 PWs) bands (ev): -14.4537 -14.4537 -13.8499 -13.8499 -8.6143 -8.6143 -8.4182 -8.4182 -7.1633 -7.1633 -6.7184 -6.7184 -1.9108 -1.9108 -1.7171 -1.7171 -1.3472 -1.3472 -1.1052 -1.1052 0.1669 0.1669 0.1937 0.1937 3.2812 3.2812 3.3573 3.3573 4.2387 4.2387 4.3703 4.3703 4.4783 4.4783 4.7742 4.7742 8.0933 8.0933 8.4070 8.4070 8.8367 8.8367 9.1029 9.1029 9.6658 9.6658 10.2092 10.2092 k = 0.4556-0.0000 0.2180 ( 4270 PWs) bands (ev): -14.3933 -14.3933 -13.9090 -13.9090 -8.5739 -8.5739 -8.4170 -8.4170 -7.1471 -7.1471 -6.7900 -6.7900 -1.8611 -1.8611 -1.6832 -1.6832 -1.3911 -1.3911 -1.1662 -1.1662 0.1536 0.1536 0.1741 0.1741 3.2976 3.2976 3.3596 3.3596 4.2571 4.2571 4.3630 4.3630 4.4991 4.4991 4.7406 4.7406 8.1371 8.1371 8.3931 8.3931 8.8528 8.8528 9.0731 9.0731 9.7377 9.7377 10.1768 10.1768 k = 0.4667-0.0000 0.2180 ( 4262 PWs) bands (ev): -14.3327 -14.3327 -13.9687 -13.9687 -8.5375 -8.5375 -8.4200 -8.4200 -7.1249 -7.1249 -6.8563 -6.8563 -1.8132 -1.8132 -1.6559 -1.6559 -1.4234 -1.4234 -1.2257 -1.2257 0.1435 0.1435 0.1585 0.1585 3.3124 3.3124 3.3597 3.3597 4.2744 4.2744 4.3543 4.3543 4.5226 4.5226 4.7065 4.7065 8.1789 8.1789 8.3739 8.3739 8.8732 8.8732 9.0426 9.0426 9.8069 9.8069 10.1388 10.1388 k = 0.4778-0.0000 0.2180 ( 4250 PWs) bands (ev): -14.2718 -14.2718 -14.0288 -14.0288 -8.5056 -8.5056 -8.4274 -8.4274 -7.0964 -7.0964 -6.9170 -6.9170 -1.7673 -1.7673 -1.6447 -1.6447 -1.4351 -1.4351 -1.2830 -1.2830 0.1369 0.1369 0.1467 0.1467 3.3255 3.3255 3.3573 3.3573 4.2908 4.2908 4.3442 4.3442 4.5487 4.5487 4.6727 4.6727 8.2185 8.2185 8.3499 8.3499 8.8970 8.8970 9.0120 9.0120 9.8729 9.8729 10.0954 10.0954 k = 0.4889-0.0000 0.2180 ( 4240 PWs) bands (ev): -14.2109 -14.2109 -14.0893 -14.0893 -8.4786 -8.4786 -8.4394 -8.4394 -7.0614 -7.0614 -6.9716 -6.9716 -1.7243 -1.7243 -1.6565 -1.6565 -1.4199 -1.4199 -1.3366 -1.3366 0.1338 0.1338 0.1387 0.1387 3.3367 3.3367 3.3527 3.3527 4.3060 4.3060 4.3328 4.3328 4.5771 4.5771 4.6395 4.6395 8.2558 8.2558 8.3218 8.3218 8.9235 8.9235 8.9816 8.9816 9.9352 9.9352 10.0467 10.0467 k = 0.5000-0.0000 0.2180 ( 4236 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4565 -8.4565 -8.4565 -8.4565 -7.0198 -7.0198 -7.0198 -7.0198 -1.6858 -1.6858 -1.6858 -1.6858 -1.3840 -1.3840 -1.3840 -1.3840 0.1344 0.1344 0.1344 0.1344 3.3458 3.3458 3.3458 3.3458 4.3200 4.3200 4.3200 4.3200 4.6075 4.6075 4.6075 4.6075 8.2903 8.2903 8.2903 8.2903 8.9519 8.9519 8.9519 8.9519 9.9932 9.9932 9.9932 9.9932 k = 0.5000-0.0000 0.2180 ( 4236 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4565 -8.4565 -8.4565 -8.4565 -7.0198 -7.0198 -7.0198 -7.0198 -1.6858 -1.6858 -1.6858 -1.6858 -1.3840 -1.3840 -1.3840 -1.3840 0.1344 0.1344 0.1344 0.1344 3.3458 3.3458 3.3458 3.3458 4.3200 4.3200 4.3200 4.3200 4.6075 4.6075 4.6075 4.6075 8.2903 8.2903 8.2903 8.2903 8.9519 8.9519 8.9519 8.9519 9.9932 9.9932 9.9932 9.9932 k = 0.5000 0.0111 0.2180 ( 4228 PWs) bands (ev): -14.1498 -14.1498 -14.1492 -14.1492 -8.4564 -8.4564 -8.4564 -8.4564 -7.0230 -7.0230 -7.0230 -7.0230 -1.7348 -1.7348 -1.6450 -1.6450 -1.4161 -1.4161 -1.3327 -1.3327 0.1303 0.1303 0.1373 0.1373 3.3452 3.3452 3.3454 3.3454 4.3186 4.3186 4.3190 4.3190 4.6066 4.6066 4.6072 4.6072 8.2719 8.2719 8.3071 8.3071 8.9440 8.9440 8.9556 8.9556 9.9845 9.9845 10.0058 10.0058 k = 0.5000 0.0222 0.2180 ( 4240 PWs) bands (ev): -14.1483 -14.1483 -14.1471 -14.1471 -8.4561 -8.4561 -8.4561 -8.4561 -7.0327 -7.0327 -7.0326 -7.0326 -1.7837 -1.7837 -1.6277 -1.6277 -1.4134 -1.4134 -1.2703 -1.2703 0.1250 0.1250 0.1389 0.1389 3.3437 3.3437 3.3440 3.3440 4.3148 4.3148 4.3157 4.3157 4.6047 4.6047 4.6058 4.6058 8.2518 8.2518 8.3223 8.3223 8.9320 8.9320 8.9557 8.9557 9.9797 9.9797 10.0217 10.0217 k = 0.5000 0.0333 0.2180 ( 4248 PWs) bands (ev): -14.1458 -14.1458 -14.1440 -14.1440 -8.4556 -8.4556 -8.4556 -8.4556 -7.0486 -7.0486 -7.0486 -7.0486 -1.8295 -1.8295 -1.6394 -1.6394 -1.3709 -1.3709 -1.2001 -1.2001 0.1184 0.1184 0.1393 0.1393 3.3413 3.3413 3.3417 3.3417 4.3087 4.3087 4.3101 4.3101 4.6017 4.6017 4.6034 4.6034 8.2298 8.2298 8.3356 8.3356 8.9160 8.9160 8.9527 8.9527 9.9788 9.9788 10.0405 10.0405 k = 0.5000 0.0444 0.2180 ( 4248 PWs) bands (ev): -14.1421 -14.1421 -14.1397 -14.1397 -8.4550 -8.4550 -8.4549 -8.4549 -7.0706 -7.0706 -7.0706 -7.0706 -1.8710 -1.8710 -1.6653 -1.6653 -1.3034 -1.3034 -1.1235 -1.1235 0.1106 0.1106 0.1386 0.1386 3.3380 3.3380 3.3385 3.3385 4.3004 4.3004 4.3021 4.3021 4.5977 4.5977 4.6000 4.6000 8.2058 8.2058 8.3464 8.3464 8.8969 8.8969 8.9477 8.9477 9.9817 9.9817 10.0616 10.0616 k = 0.5000 0.0556 0.2180 ( 4244 PWs) bands (ev): -14.1373 -14.1373 -14.1343 -14.1343 -8.4541 -8.4541 -8.4540 -8.4540 -7.0986 -7.0986 -7.0984 -7.0984 -1.9076 -1.9076 -1.6943 -1.6943 -1.2223 -1.2223 -1.0415 -1.0415 0.1016 0.1016 0.1368 0.1368 3.3337 3.3337 3.3343 3.3343 4.2898 4.2898 4.2920 4.2920 4.5928 4.5928 4.5955 4.5955 8.1792 8.1792 8.3539 8.3539 8.8759 8.8759 8.9414 8.9414 9.9878 9.9878 10.0844 10.0844 k = 0.5000 0.0667 0.2180 ( 4248 PWs) bands (ev): -14.1314 -14.1314 -14.1278 -14.1278 -8.4531 -8.4531 -8.4530 -8.4530 -7.1321 -7.1321 -7.1317 -7.1317 -1.9393 -1.9393 -1.7220 -1.7220 -1.1326 -1.1326 -0.9545 -0.9545 0.0913 0.0913 0.1341 0.1341 3.3286 3.3286 3.3293 3.3293 4.2772 4.2772 4.2798 4.2798 4.5869 4.5869 4.5902 4.5902 8.1497 8.1497 8.3567 8.3567 8.8548 8.8548 8.9349 8.9349 9.9968 9.9968 10.1082 10.1082 k = 0.5000 0.0778 0.2180 ( 4248 PWs) bands (ev): -14.1244 -14.1244 -14.1203 -14.1203 -8.4519 -8.4519 -8.4518 -8.4518 -7.1708 -7.1708 -7.1701 -7.1701 -1.9660 -1.9660 -1.7466 -1.7466 -1.0364 -1.0364 -0.8633 -0.8633 0.0799 0.0799 0.1304 0.1304 3.3228 3.3228 3.3234 3.3234 4.2626 4.2626 4.2656 4.2656 4.5802 4.5802 4.5840 4.5840 8.1171 8.1171 8.3534 8.3534 8.8357 8.8357 8.9290 8.9290 10.0080 10.0080 10.1325 10.1325 k = 0.5000 0.0889 0.2180 ( 4252 PWs) bands (ev): -14.1163 -14.1163 -14.1117 -14.1117 -8.4506 -8.4506 -8.4504 -8.4504 -7.2143 -7.2143 -7.2132 -7.2132 -1.9878 -1.9878 -1.7675 -1.7675 -0.9349 -0.9349 -0.7685 -0.7685 0.0675 0.0675 0.1262 0.1262 3.3161 3.3161 3.3167 3.3167 4.2461 4.2461 4.2495 4.2495 4.5728 4.5728 4.5771 4.5771 8.0811 8.0811 8.3422 8.3422 8.8209 8.8209 8.9245 8.9245 10.0208 10.0208 10.1567 10.1567 k = 0.5000 0.1000 0.2180 ( 4248 PWs) bands (ev): -14.1073 -14.1073 -14.1022 -14.1022 -8.4491 -8.4491 -8.4489 -8.4489 -7.2621 -7.2621 -7.2606 -7.2606 -2.0049 -2.0049 -1.7845 -1.7845 -0.8292 -0.8292 -0.6708 -0.6708 0.0542 0.0542 0.1218 0.1218 3.3087 3.3087 3.3093 3.3093 4.2280 4.2280 4.2318 4.2318 4.5648 4.5648 4.5695 4.5695 8.0414 8.0414 8.3216 8.3216 8.8124 8.8124 8.9221 8.9221 10.0348 10.0348 10.1805 10.1805 k = 0.5000 0.1111 0.2180 ( 4256 PWs) bands (ev): -14.0973 -14.0973 -14.0917 -14.0917 -8.4474 -8.4474 -8.4473 -8.4473 -7.3138 -7.3138 -7.3118 -7.3118 -2.0175 -2.0175 -1.7976 -1.7976 -0.7201 -0.7201 -0.5714 -0.5714 0.0405 0.0405 0.1180 0.1180 3.3006 3.3006 3.3011 3.3011 4.2083 4.2083 4.2124 4.2124 4.5563 4.5563 4.5615 4.5615 7.9979 7.9979 8.2909 8.2909 8.8113 8.8113 8.9221 8.9221 10.0494 10.0494 10.2033 10.2033 k = 0.5000 0.1222 0.2180 ( 4256 PWs) bands (ev): -14.0864 -14.0864 -14.0803 -14.0803 -8.4457 -8.4457 -8.4455 -8.4455 -7.3689 -7.3689 -7.3663 -7.3663 -2.0257 -2.0257 -1.8067 -1.8067 -0.6088 -0.6088 -0.4720 -0.4720 0.0269 0.0269 0.1160 0.1160 3.2918 3.2918 3.2923 3.2923 4.1872 4.1872 4.1917 4.1917 4.5474 4.5474 4.5530 4.5530 7.9506 7.9506 8.2505 8.2505 8.8179 8.8179 8.9250 8.9250 10.0642 10.0642 10.2250 10.2250 k = 0.5000 0.1333 0.2180 ( 4260 PWs) bands (ev): -14.0746 -14.0746 -14.0681 -14.0681 -8.4438 -8.4438 -8.4436 -8.4436 -7.4268 -7.4268 -7.4237 -7.4237 -2.0297 -2.0297 -1.8121 -1.8121 -0.4973 -0.4973 -0.3754 -0.3754 0.0149 0.0149 0.1184 0.1184 3.2825 3.2825 3.2828 3.2828 4.1648 4.1648 4.1697 4.1697 4.5383 4.5383 4.5444 4.5444 7.8996 7.8996 8.2014 8.2014 8.8314 8.8314 8.9310 8.9310 10.0788 10.0788 10.2453 10.2453 k = 0.5000 0.1444 0.2180 ( 4256 PWs) bands (ev): -14.0620 -14.0620 -14.0551 -14.0551 -8.4419 -8.4419 -8.4417 -8.4417 -7.4872 -7.4872 -7.4834 -7.4834 -2.0299 -2.0299 -1.8137 -1.8137 -0.3893 -0.3893 -0.2866 -0.2866 0.0078 0.0078 0.1296 0.1296 3.2726 3.2726 3.2727 3.2727 4.1414 4.1414 4.1467 4.1467 4.5291 4.5291 4.5356 4.5356 7.8450 7.8450 8.1449 8.1449 8.8508 8.8508 8.9401 8.9401 10.0929 10.0929 10.2640 10.2640 k = 0.5000 0.1556 0.2180 ( 4252 PWs) bands (ev): -14.0486 -14.0486 -14.0414 -14.0414 -8.4399 -8.4399 -8.4396 -8.4396 -7.5495 -7.5495 -7.5451 -7.5451 -2.0263 -2.0263 -1.8119 -1.8119 -0.2934 -0.2934 -0.2139 -0.2139 0.0138 0.0138 0.1575 0.1575 3.2622 3.2622 3.2623 3.2623 4.1172 4.1172 4.1227 4.1227 4.5200 4.5200 4.5269 4.5269 7.7871 7.7871 8.0822 8.0822 8.8753 8.8753 8.9522 8.9522 10.1062 10.1062 10.2810 10.2810 k = 0.5000 0.1667 0.2180 ( 4252 PWs) bands (ev): -14.0345 -14.0345 -14.0270 -14.0270 -8.4378 -8.4378 -8.4376 -8.4376 -7.6132 -7.6132 -7.6082 -7.6082 -2.0192 -2.0192 -1.8067 -1.8067 -0.2266 -0.2266 -0.1655 -0.1655 0.0495 0.0495 0.2101 0.2101 3.2511 3.2511 3.2514 3.2514 4.0922 4.0922 4.0980 4.0980 4.5111 4.5111 4.5184 4.5184 7.7260 7.7260 8.0145 8.0145 8.9039 8.9039 8.9675 8.9675 10.1186 10.1186 10.2961 10.2961 k = 0.5000 0.1778 0.2180 ( 4256 PWs) bands (ev): -14.0199 -14.0199 -14.0120 -14.0120 -8.4358 -8.4358 -8.4355 -8.4355 -7.6779 -7.6779 -7.6723 -7.6723 -2.0087 -2.0087 -1.7984 -1.7984 -0.2005 -0.2005 -0.1429 -0.1429 0.1260 0.1260 0.2882 0.2882 3.2395 3.2395 3.2400 3.2400 4.0666 4.0666 4.0728 4.0728 4.5026 4.5026 4.5103 4.5103 7.6621 7.6621 7.9427 7.9427 8.9359 8.9359 8.9856 8.9856 10.1299 10.1299 10.3095 10.3095 k = 0.5000 0.1889 0.2180 ( 4260 PWs) bands (ev): -14.0047 -14.0047 -13.9966 -13.9966 -8.4337 -8.4337 -8.4335 -8.4335 -7.7432 -7.7432 -7.7370 -7.7370 -1.9952 -1.9952 -1.7870 -1.7870 -0.2032 -0.2032 -0.1394 -0.1394 0.2310 0.2310 0.3850 0.3850 3.2275 3.2275 3.2283 3.2283 4.0407 4.0407 4.0471 4.0471 4.4947 4.4947 4.5028 4.5028 7.5956 7.5956 7.8674 7.8674 8.9707 8.9707 9.0065 9.0065 10.1400 10.1400 10.3209 10.3209 k = 0.5000 0.2000 0.2180 ( 4260 PWs) bands (ev): -13.9890 -13.9890 -13.9807 -13.9807 -8.4318 -8.4318 -8.4315 -8.4315 -7.8085 -7.8085 -7.8018 -7.8018 -1.9787 -1.9787 -1.7727 -1.7727 -0.2200 -0.2200 -0.1479 -0.1479 0.3495 0.3495 0.4929 0.4929 3.2151 3.2151 3.2160 3.2160 4.0147 4.0147 4.0212 4.0212 4.4876 4.4876 4.4959 4.4959 7.5268 7.5268 7.7894 7.7894 9.0079 9.0079 9.0299 9.0299 10.1489 10.1489 10.3305 10.3305 k = 0.5000 0.2111 0.2180 ( 4260 PWs) bands (ev): -13.9729 -13.9729 -13.9645 -13.9645 -8.4299 -8.4299 -8.4296 -8.4296 -7.8734 -7.8734 -7.8663 -7.8663 -1.9595 -1.9595 -1.7558 -1.7558 -0.2442 -0.2442 -0.1640 -0.1640 0.4742 0.4742 0.6070 0.6070 3.2022 3.2022 3.2033 3.2033 3.9886 3.9886 3.9952 3.9952 4.4813 4.4813 4.4900 4.4900 7.4561 7.4561 7.7090 7.7090 9.0471 9.0471 9.0558 9.0558 10.1565 10.1565 10.3383 10.3383 k = 0.5000 0.2222 0.2180 ( 4260 PWs) bands (ev): -13.9566 -13.9566 -13.9481 -13.9481 -8.4283 -8.4283 -8.4279 -8.4279 -7.9375 -7.9375 -7.9300 -7.9300 -1.9376 -1.9376 -1.7363 -1.7363 -0.2728 -0.2728 -0.1854 -0.1854 0.6019 0.6019 0.7247 0.7247 3.1888 3.1888 3.1900 3.1900 3.9626 3.9626 3.9694 3.9694 4.4761 4.4761 4.4851 4.4851 7.3838 7.3838 7.6268 7.6268 9.0838 9.0838 9.0880 9.0880 10.1629 10.1629 10.3444 10.3444 k = 0.5000 0.2333 0.2180 ( 4260 PWs) bands (ev): -13.9401 -13.9401 -13.9316 -13.9316 -8.4269 -8.4269 -8.4264 -8.4264 -8.0003 -8.0003 -7.9926 -7.9926 -1.9133 -1.9133 -1.7144 -1.7144 -0.3044 -0.3044 -0.2105 -0.2105 0.7308 0.7308 0.8441 0.8441 3.1749 3.1749 3.1761 3.1761 3.9370 3.9370 3.9437 3.9437 4.4721 4.4721 4.4814 4.4814 7.3101 7.3101 7.5430 7.5430 9.1137 9.1137 9.1303 9.1303 10.1681 10.1681 10.3488 10.3488 k = 0.5000 0.2444 0.2180 ( 4260 PWs) bands (ev): -13.9236 -13.9236 -13.9151 -13.9151 -8.4259 -8.4259 -8.4253 -8.4253 -8.0614 -8.0614 -8.0535 -8.0535 -1.8867 -1.8867 -1.6902 -1.6902 -0.3385 -0.3385 -0.2387 -0.2387 0.8599 0.8599 0.9642 0.9642 3.1603 3.1603 3.1616 3.1616 3.9118 3.9118 3.9185 3.9185 4.4695 4.4695 4.4790 4.4790 7.2355 7.2355 7.4582 7.4582 9.1453 9.1453 9.1735 9.1735 10.1722 10.1722 10.3516 10.3516 k = 0.5000 0.2556 0.2180 ( 4264 PWs) bands (ev): -13.9071 -13.9071 -13.8986 -13.8986 -8.4256 -8.4256 -8.4249 -8.4249 -8.1202 -8.1202 -8.1123 -8.1123 -1.8580 -1.8580 -1.6640 -1.6640 -0.3745 -0.3745 -0.2694 -0.2694 0.9884 0.9884 1.0840 1.0840 3.1450 3.1450 3.1462 3.1462 3.8873 3.8873 3.8939 3.8939 4.4684 4.4684 4.4782 4.4782 7.1603 7.1603 7.3727 7.3727 9.1784 9.1784 9.2175 9.2175 10.1752 10.1752 10.3530 10.3530 k = 0.5000 0.2667 0.2180 ( 4256 PWs) bands (ev): -13.8907 -13.8907 -13.8824 -13.8824 -8.4264 -8.4264 -8.4254 -8.4254 -8.1760 -8.1760 -8.1683 -8.1683 -1.8272 -1.8272 -1.6359 -1.6359 -0.4122 -0.4122 -0.3023 -0.3023 1.1156 1.1156 1.2029 1.2029 3.1288 3.1288 3.1299 3.1299 3.8636 3.8636 3.8699 3.8699 4.4690 4.4690 4.4791 4.4791 7.0849 7.0849 7.2868 7.2868 9.2127 9.2127 9.2618 9.2618 10.1773 10.1773 10.3529 10.3529 k = 0.5000 0.2778 0.2180 ( 4256 PWs) bands (ev): -13.8746 -13.8746 -13.8665 -13.8665 -8.4288 -8.4288 -8.4274 -8.4274 -8.2279 -8.2279 -8.2205 -8.2205 -1.7947 -1.7947 -1.6060 -1.6060 -0.4513 -0.4513 -0.3371 -0.3371 1.2410 1.2410 1.3202 1.3202 3.1116 3.1116 3.1126 3.1126 3.8407 3.8407 3.8468 3.8468 4.4713 4.4713 4.4816 4.4816 7.0098 7.0098 7.2010 7.2010 9.2479 9.2479 9.3061 9.3061 10.1787 10.1787 10.3515 10.3515 k = 0.5000 0.2889 0.2180 ( 4256 PWs) bands (ev): -13.8589 -13.8589 -13.8510 -13.8510 -8.4342 -8.4342 -8.4322 -8.4322 -8.2742 -8.2742 -8.2677 -8.2677 -1.7604 -1.7604 -1.5746 -1.5746 -0.4916 -0.4916 -0.3736 -0.3736 1.3641 1.3641 1.4355 1.4355 3.0933 3.0933 3.0940 3.0940 3.8189 3.8189 3.8247 3.8247 4.4755 4.4755 4.4860 4.4860 6.9353 6.9353 7.1156 7.1156 9.2838 9.2838 9.3499 9.3499 10.1794 10.1794 10.3489 10.3489 k = 0.5000 0.3000 0.2180 ( 4252 PWs) bands (ev): -13.8436 -13.8436 -13.8361 -13.8361 -8.4449 -8.4449 -8.4417 -8.4417 -8.3126 -8.3126 -8.3074 -8.3074 -1.7246 -1.7246 -1.5418 -1.5418 -0.5328 -0.5328 -0.4115 -0.4115 1.4842 1.4842 1.5481 1.5481 3.0736 3.0736 3.0741 3.0741 3.7983 3.7983 3.8038 3.8038 4.4815 4.4815 4.4922 4.4922 6.8621 6.8621 7.0313 7.0313 9.3200 9.3200 9.3930 9.3930 10.1798 10.1798 10.3452 10.3452 k = 0.5000 0.3111 0.2180 ( 4248 PWs) bands (ev): -13.8291 -13.8291 -13.8219 -13.8219 -8.4632 -8.4632 -8.4586 -8.4586 -8.3404 -8.3404 -8.3368 -8.3368 -1.6873 -1.6873 -1.5079 -1.5079 -0.5748 -0.5748 -0.4506 -0.4506 1.6011 1.6011 1.6578 1.6578 3.0523 3.0523 3.0525 3.0525 3.7790 3.7790 3.7840 3.7840 4.4894 4.4894 4.5002 4.5002 6.7907 6.7907 6.9485 6.9485 9.3562 9.3562 9.4346 9.4346 10.1799 10.1799 10.3404 10.3404 k = 0.5000 0.3222 0.2180 ( 4244 PWs) bands (ev): -13.8152 -13.8152 -13.8084 -13.8084 -8.4890 -8.4890 -8.4834 -8.4834 -8.3572 -8.3572 -8.3552 -8.3552 -1.6489 -1.6489 -1.4731 -1.4731 -0.6171 -0.6171 -0.4908 -0.4908 1.7140 1.7140 1.7639 1.7639 3.0292 3.0292 3.0292 3.0292 3.7611 3.7611 3.7656 3.7656 4.4990 4.4990 4.5099 4.5099 6.7217 6.7217 6.8678 6.8678 9.3922 9.3922 9.4744 9.4744 10.1800 10.1800 10.3345 10.3345 k = 0.5000 0.3333 0.2180 ( 4244 PWs) bands (ev): -13.8022 -13.8022 -13.7959 -13.7959 -8.5192 -8.5192 -8.5131 -8.5131 -8.3664 -8.3664 -8.3653 -8.3653 -1.6094 -1.6094 -1.4379 -1.4379 -0.6594 -0.6594 -0.5318 -0.5318 1.8227 1.8227 1.8661 1.8661 3.0039 3.0039 3.0042 3.0042 3.7446 3.7446 3.7487 3.7487 4.5101 4.5101 4.5211 4.5211 6.6559 6.6559 6.7898 6.7898 9.4274 9.4274 9.5118 9.5118 10.1804 10.1804 10.3277 10.3277 k = 0.5000 0.3444 0.2180 ( 4240 PWs) bands (ev): -13.7902 -13.7902 -13.7844 -13.7844 -8.5500 -8.5500 -8.5440 -8.5440 -8.3713 -8.3713 -8.3706 -8.3706 -1.5691 -1.5691 -1.4027 -1.4027 -0.7013 -0.7013 -0.5733 -0.5733 1.9267 1.9267 1.9640 1.9640 2.9764 2.9764 2.9770 2.9770 3.7298 3.7298 3.7333 3.7333 4.5226 4.5226 4.5334 4.5334 6.5941 6.5941 6.7154 6.7154 9.4617 9.4617 9.5460 9.5460 10.1814 10.1814 10.3200 10.3200 k = 0.5000 0.3556 0.2180 ( 4244 PWs) bands (ev): -13.7792 -13.7792 -13.7741 -13.7741 -8.5793 -8.5793 -8.5737 -8.5737 -8.3738 -8.3738 -8.3734 -8.3734 -1.5282 -1.5282 -1.3680 -1.3680 -0.7421 -0.7421 -0.6152 -0.6152 2.0255 2.0255 2.0571 2.0571 2.9468 2.9468 2.9474 2.9474 3.7165 3.7165 3.7195 3.7195 4.5359 4.5359 4.5464 4.5464 6.5372 6.5372 6.6453 6.6453 9.4945 9.4945 9.5766 9.5766 10.1833 10.1833 10.3114 10.3114 k = 0.5000 0.3667 0.2180 ( 4236 PWs) bands (ev): -13.7694 -13.7694 -13.7650 -13.7650 -8.6058 -8.6058 -8.6008 -8.6008 -8.3752 -8.3752 -8.3749 -8.3749 -1.4870 -1.4870 -1.3348 -1.3348 -0.7809 -0.7809 -0.6569 -0.6569 2.1187 2.1187 2.1450 2.1450 2.9148 2.9148 2.9154 2.9154 3.7049 3.7049 3.7074 3.7074 4.5497 4.5497 4.5596 4.5596 6.4861 6.4861 6.5805 6.5805 9.5256 9.5256 9.6029 9.6029 10.1864 10.1864 10.3020 10.3020 k = 0.5000 0.3778 0.2180 ( 4248 PWs) bands (ev): -13.7609 -13.7609 -13.7571 -13.7571 -8.6289 -8.6289 -8.6246 -8.6246 -8.3759 -8.3759 -8.3757 -8.3757 -1.4460 -1.4460 -1.3045 -1.3045 -0.8163 -0.8163 -0.6981 -0.6981 2.2057 2.2057 2.2272 2.2272 2.8807 2.8807 2.8811 2.8811 3.6950 3.6950 3.6971 3.6971 4.5633 4.5633 4.5723 4.5723 6.4418 6.4418 6.5219 6.5219 9.5544 9.5544 9.6243 9.6243 10.1908 10.1908 10.2918 10.2918 k = 0.5000 0.3889 0.2180 ( 4244 PWs) bands (ev): -13.7538 -13.7538 -13.7507 -13.7507 -8.6481 -8.6481 -8.6446 -8.6446 -8.3762 -8.3762 -8.3760 -8.3760 -1.4057 -1.4057 -1.2790 -1.2790 -0.8465 -0.8465 -0.7382 -0.7382 2.2858 2.2858 2.3029 2.3029 2.8447 2.8447 2.8448 2.8448 3.6869 3.6869 3.6885 3.6885 4.5761 4.5761 4.5838 4.5838 6.4054 6.4054 6.4704 6.4704 9.5805 9.5805 9.6405 9.6405 10.1967 10.1967 10.2810 10.2810 k = 0.5000 0.4000 0.2180 ( 4244 PWs) bands (ev): -13.7481 -13.7481 -13.7457 -13.7457 -8.6632 -8.6632 -8.6605 -8.6605 -8.3763 -8.3763 -8.3762 -8.3762 -1.3669 -1.3669 -1.2608 -1.2608 -0.8687 -0.8687 -0.7765 -0.7765 2.3577 2.3577 2.3707 2.3707 2.8076 2.8076 2.8079 2.8079 3.6807 3.6807 3.6818 3.6818 4.5873 4.5873 4.5935 4.5935 6.3778 6.3778 6.4272 6.4272 9.6036 9.6036 9.6510 9.6510 10.2043 10.2043 10.2697 10.2697 k = 0.5000 0.4111 0.2180 ( 4244 PWs) bands (ev): -13.7438 -13.7438 -13.7422 -13.7422 -8.6739 -8.6739 -8.6721 -8.6721 -8.3763 -8.3763 -8.3762 -8.3762 -1.3306 -1.3306 -1.2530 -1.2530 -0.8802 -0.8802 -0.8117 -0.8117 2.4189 2.4189 2.4279 2.4279 2.7718 2.7718 2.7725 2.7725 3.6762 3.6762 3.6770 3.6770 4.5962 4.5962 4.6006 4.6006 6.3598 6.3598 6.3931 6.3931 9.6230 9.6230 9.6559 9.6559 10.2132 10.2132 10.2579 10.2579 k = 0.5000 0.4222 0.2180 ( 4260 PWs) bands (ev): -13.7411 -13.7411 -13.7403 -13.7403 -8.6802 -8.6802 -8.6793 -8.6793 -8.3763 -8.3763 -8.3763 -8.3763 -1.2986 -1.2986 -1.2572 -1.2572 -0.8790 -0.8790 -0.8421 -0.8421 2.4638 2.4638 2.4686 2.4686 2.7432 2.7432 2.7439 2.7439 3.6736 3.6736 3.6740 3.6740 4.6024 4.6024 4.6046 4.6046 6.3522 6.3522 6.3689 6.3689 9.6384 9.6384 9.6553 9.6553 10.2234 10.2234 10.2461 10.2461 k = 0.5000 0.4333 0.2180 ( 4264 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3763 -8.3763 -8.3763 -8.3763 -1.2732 -1.2732 -1.2732 -1.2732 -0.8655 -0.8655 -0.8655 -0.8655 2.4827 2.4827 2.4827 2.4827 2.7318 2.7318 2.7318 2.7318 3.6728 3.6728 3.6728 3.6728 4.6052 4.6052 4.6052 4.6052 6.3552 6.3552 6.3552 6.3552 9.6493 9.6493 9.6493 9.6493 10.2345 10.2345 10.2345 10.2345 k = 0.5000 0.4333 0.2180 ( 4264 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3763 -8.3763 -8.3763 -8.3763 -1.2732 -1.2732 -1.2732 -1.2732 -0.8655 -0.8655 -0.8655 -0.8655 2.4827 2.4827 2.4827 2.4827 2.7318 2.7318 2.7318 2.7318 3.6728 3.6728 3.6728 3.6728 4.6052 4.6052 4.6052 4.6052 6.3552 6.3552 6.3552 6.3552 9.6493 9.6493 9.6493 9.6493 10.2345 10.2345 10.2345 10.2345 k = 0.4889 0.4333 0.2180 ( 4256 PWs) bands (ev): -13.7415 -13.7415 -13.7404 -13.7404 -8.6873 -8.6873 -8.6854 -8.6854 -8.3724 -8.3724 -8.3681 -8.3681 -1.2893 -1.2893 -1.2558 -1.2558 -0.8818 -0.8818 -0.8461 -0.8461 2.4768 2.4768 2.4809 2.4809 2.7314 2.7314 2.7325 2.7325 3.6735 3.6735 3.6751 3.6751 4.6054 4.6054 4.6082 4.6082 6.3542 6.3542 6.3582 6.3582 9.6263 9.6263 9.6676 9.6676 10.2097 10.2097 10.2572 10.2572 k = 0.4778 0.4333 0.2180 ( 4256 PWs) bands (ev): -13.7452 -13.7452 -13.7429 -13.7429 -8.7002 -8.7002 -8.6970 -8.6970 -8.3571 -8.3571 -8.3491 -8.3491 -1.3039 -1.3039 -1.2372 -1.2372 -0.8944 -0.8944 -0.8235 -0.8235 2.4635 2.4635 2.4716 2.4716 2.7310 2.7310 2.7334 2.7334 3.6771 3.6771 3.6803 3.6803 4.6087 4.6087 4.6144 4.6144 6.3551 6.3551 6.3633 6.3633 9.5988 9.5988 9.6806 9.6806 10.1832 10.1832 10.2774 10.2774 k = 0.4667 0.4333 0.2180 ( 4260 PWs) bands (ev): -13.7509 -13.7509 -13.7475 -13.7475 -8.7187 -8.7187 -8.7148 -8.7148 -8.3323 -8.3323 -8.3212 -8.3212 -1.3168 -1.3168 -1.2182 -1.2182 -0.9030 -0.9030 -0.7979 -0.7979 2.4435 2.4435 2.4553 2.4553 2.7304 2.7304 2.7340 2.7340 3.6836 3.6836 3.6879 3.6879 4.6152 4.6152 4.6238 4.6238 6.3581 6.3581 6.3704 6.3704 9.5674 9.5674 9.6880 9.6880 10.1557 10.1557 10.2949 10.2949 k = 0.4556 0.4333 0.2180 ( 4260 PWs) bands (ev): -13.7586 -13.7586 -13.7540 -13.7540 -8.7409 -8.7409 -8.7367 -8.7367 -8.3001 -8.3001 -8.2865 -8.2865 -1.3283 -1.3283 -1.1995 -1.1995 -0.9066 -0.9066 -0.7692 -0.7692 2.4175 2.4175 2.4327 2.4327 2.7292 2.7292 2.7340 2.7340 3.6925 3.6925 3.6977 3.6977 4.6249 4.6249 4.6363 4.6363 6.3630 6.3630 6.3795 6.3795 9.5322 9.5322 9.6892 9.6892 10.1275 10.1275 10.3092 10.3092 k = 0.4444 0.4333 0.2180 ( 4256 PWs) bands (ev): -13.7682 -13.7682 -13.7625 -13.7625 -8.7651 -8.7651 -8.7612 -8.7612 -8.2622 -8.2622 -8.2465 -8.2465 -1.3384 -1.3384 -1.1824 -1.1824 -0.9040 -0.9040 -0.7374 -0.7374 2.3864 2.3864 2.4045 2.4045 2.7268 2.7268 2.7329 2.7329 3.7035 3.7035 3.7092 3.7092 4.6376 4.6376 4.6520 4.6520 6.3698 6.3698 6.3904 6.3904 9.4938 9.4938 9.6837 9.6837 10.0992 10.0992 10.3202 10.3202 k = 0.4333 0.4333 0.2180 ( 4256 PWs) bands (ev): -13.7796 -13.7796 -13.7729 -13.7729 -8.7907 -8.7907 -8.7872 -8.7872 -8.2196 -8.2196 -8.2022 -8.2022 -1.3471 -1.3471 -1.1681 -1.1681 -0.8939 -0.8939 -0.7022 -0.7022 2.3509 2.3509 2.3716 2.3716 2.7232 2.7232 2.7304 2.7304 3.7162 3.7162 3.7220 3.7220 4.6535 4.6535 4.6709 4.6709 6.3782 6.3782 6.4031 6.4031 9.4524 9.4524 9.6713 9.6713 10.0712 10.0712 10.3276 10.3276 k = 0.4222 0.4333 0.2180 ( 4248 PWs) bands (ev): -13.7927 -13.7927 -13.7851 -13.7851 -8.8169 -8.8169 -8.8140 -8.8140 -8.1731 -8.1731 -8.1543 -8.1543 -1.3548 -1.3548 -1.1577 -1.1577 -0.8754 -0.8754 -0.6636 -0.6636 2.3116 2.3116 2.3345 2.3345 2.7180 2.7180 2.7264 2.7264 3.7301 3.7301 3.7355 3.7355 4.6725 4.6725 4.6928 4.6928 6.3883 6.3883 6.4175 6.4175 9.4082 9.4082 9.6520 9.6520 10.0437 10.0437 10.3312 10.3312 k = 0.4111 0.4333 0.2180 ( 4240 PWs) bands (ev): -13.8075 -13.8075 -13.7989 -13.7989 -8.8435 -8.8435 -8.8413 -8.8413 -8.1232 -8.1232 -8.1031 -8.1031 -1.3614 -1.3614 -1.1515 -1.1515 -0.8482 -0.8482 -0.6215 -0.6215 2.2691 2.2691 2.2938 2.2938 2.7114 2.7114 2.7207 2.7207 3.7446 3.7446 3.7493 3.7493 4.6944 4.6944 4.7176 4.7176 6.3998 6.3998 6.4334 6.4334 9.3617 9.3617 9.6258 9.6258 10.0167 10.0167 10.3309 10.3309 k = 0.4000 0.4333 0.2180 ( 4232 PWs) bands (ev): -13.8237 -13.8237 -13.8144 -13.8144 -8.8703 -8.8703 -8.8687 -8.8687 -8.0702 -8.0702 -8.0490 -8.0490 -1.3671 -1.3671 -1.1490 -1.1490 -0.8127 -0.8127 -0.5758 -0.5758 2.2238 2.2238 2.2500 2.2500 2.7031 2.7031 2.7135 2.7135 3.7593 3.7593 3.7630 3.7630 4.7192 4.7192 4.7452 4.7452 6.4127 6.4127 6.4508 6.4508 9.3132 9.3132 9.5933 9.5933 9.9897 9.9897 10.3265 10.3265 k = 0.3889 0.4333 0.2180 ( 4232 PWs) bands (ev): -13.8414 -13.8414 -13.8313 -13.8313 -8.8971 -8.8971 -8.8962 -8.8962 -8.0145 -8.0145 -7.9923 -7.9923 -1.3719 -1.3719 -1.1493 -1.1493 -0.7699 -0.7699 -0.5265 -0.5265 2.1762 2.1762 2.2035 2.2035 2.6934 2.6934 2.7047 2.7047 3.7738 3.7738 3.7763 3.7763 4.7466 4.7466 4.7753 4.7753 6.4268 6.4268 6.4695 6.4695 9.2629 9.2629 9.5551 9.5551 9.9624 9.9624 10.3178 10.3178 k = 0.3778 0.4333 0.2180 ( 4232 PWs) bands (ev): -13.8604 -13.8604 -13.8495 -13.8495 -8.9238 -8.9238 -8.9235 -8.9235 -7.9562 -7.9562 -7.9332 -7.9332 -1.3760 -1.3760 -1.1516 -1.1516 -0.7207 -0.7207 -0.4736 -0.4736 2.1265 2.1265 2.1547 2.1547 2.6823 2.6823 2.6945 2.6945 3.7879 3.7879 3.7889 3.7889 4.7764 4.7764 4.8077 4.8077 6.4420 6.4420 6.4893 6.4893 9.2112 9.2112 9.5121 9.5121 9.9340 9.9340 10.3048 10.3048 k = 0.3667 0.4333 0.2180 ( 4224 PWs) bands (ev): -13.8804 -13.8804 -13.8689 -13.8689 -8.9508 -8.9508 -8.9504 -8.9504 -7.8956 -7.8956 -7.8718 -7.8718 -1.3793 -1.3793 -1.1550 -1.1550 -0.6659 -0.6659 -0.4172 -0.4172 2.0750 2.0750 2.1037 2.1037 2.6699 2.6699 2.6829 2.6829 3.8007 3.8007 3.8012 3.8012 4.8083 4.8083 4.8420 4.8420 6.4581 6.4581 6.5103 6.5103 9.1584 9.1584 9.4651 9.4651 9.9041 9.9041 10.2873 10.2873 k = 0.3556 0.4333 0.2180 ( 4220 PWs) bands (ev): -13.9015 -13.9015 -13.8894 -13.8894 -8.9778 -8.9778 -8.9768 -8.9768 -7.8328 -7.8328 -7.8083 -7.8083 -1.3817 -1.3817 -1.1590 -1.1590 -0.6063 -0.6063 -0.3572 -0.3572 2.0221 2.0221 2.0509 2.0509 2.6563 2.6563 2.6702 2.6702 3.8114 3.8114 3.8136 3.8136 4.8420 4.8420 4.8779 4.8779 6.4750 6.4750 6.5322 6.5322 9.1049 9.1049 9.4148 9.4148 9.8721 9.8721 10.2652 10.2652 k = 0.3444 0.4333 0.2180 ( 4220 PWs) bands (ev): -13.9234 -13.9234 -13.9108 -13.9108 -9.0046 -9.0046 -9.0031 -9.0031 -7.7680 -7.7680 -7.7430 -7.7430 -1.3834 -1.3834 -1.1629 -1.1629 -0.5424 -0.5424 -0.2938 -0.2938 1.9677 1.9677 1.9964 1.9964 2.6417 2.6417 2.6566 2.6566 3.8211 3.8211 3.8249 3.8249 4.8769 4.8769 4.9148 4.9148 6.4926 6.4926 6.5551 6.5551 9.0510 9.0510 9.3618 9.3618 9.8376 9.8376 10.2385 10.2385 k = 0.3333 0.4333 0.2180 ( 4216 PWs) bands (ev): -13.9460 -13.9460 -13.9331 -13.9331 -9.0312 -9.0312 -9.0292 -9.0292 -7.7014 -7.7014 -7.6760 -7.6760 -1.3841 -1.3841 -1.1666 -1.1666 -0.4746 -0.4746 -0.2273 -0.2273 1.9122 1.9122 1.9404 1.9404 2.6264 2.6264 2.6422 2.6422 3.8295 3.8295 3.8350 3.8350 4.9127 4.9127 4.9522 4.9522 6.5110 6.5110 6.5788 6.5788 8.9969 8.9969 9.3067 9.3067 9.8003 9.8003 10.2072 10.2072 k = 0.3222 0.4333 0.2180 ( 4228 PWs) bands (ev): -13.9692 -13.9692 -13.9559 -13.9559 -9.0575 -9.0575 -9.0550 -9.0550 -7.6332 -7.6332 -7.6076 -7.6076 -1.3838 -1.3838 -1.1696 -1.1696 -0.4035 -0.4035 -0.1578 -0.1578 1.8556 1.8556 1.8830 1.8830 2.6104 2.6104 2.6272 2.6272 3.8368 3.8368 3.8439 3.8439 4.9488 4.9488 4.9898 4.9898 6.5301 6.5301 6.6033 6.6033 8.9429 8.9429 9.2500 9.2500 9.7603 9.7603 10.1712 10.1712 k = 0.3111 0.4333 0.2180 ( 4228 PWs) bands (ev): -13.9928 -13.9928 -13.9793 -13.9793 -9.0835 -9.0835 -9.0806 -9.0806 -7.5637 -7.5637 -7.5380 -7.5380 -1.3824 -1.3824 -1.1716 -1.1716 -0.3293 -0.3293 -0.0855 -0.0855 1.7981 1.7981 1.8242 1.8242 2.5941 2.5941 2.6120 2.6120 3.8429 3.8429 3.8515 3.8515 4.9845 4.9845 5.0268 5.0268 6.5498 6.5498 6.6288 6.6288 8.8894 8.8894 9.1920 9.1920 9.7174 9.7174 10.1306 10.1306 k = 0.3000 0.4333 0.2180 ( 4228 PWs) bands (ev): -14.0167 -14.0167 -14.0030 -14.0030 -9.1091 -9.1091 -9.1059 -9.1059 -7.4931 -7.4931 -7.4673 -7.4673 -1.3798 -1.3798 -1.1726 -1.1726 -0.2525 -0.2525 -0.0109 -0.0109 1.7396 1.7396 1.7643 1.7643 2.5776 2.5776 2.5967 2.5967 3.8478 3.8478 3.8579 3.8579 5.0193 5.0193 5.0627 5.0627 6.5704 6.5704 6.6551 6.6551 8.8364 8.8364 9.1329 9.1329 9.6717 9.6717 10.0857 10.0857 k = 0.2889 0.4333 0.2180 ( 4224 PWs) bands (ev): -14.0408 -14.0408 -14.0270 -14.0270 -9.1343 -9.1343 -9.1308 -9.1308 -7.4215 -7.4215 -7.3958 -7.3958 -1.3759 -1.3759 -1.1721 -1.1721 -0.1736 -0.1736 0.0659 0.0659 1.6803 1.6803 1.7032 1.7032 2.5614 2.5614 2.5818 2.5818 3.8516 3.8516 3.8632 3.8632 5.0527 5.0527 5.0969 5.0969 6.5919 6.5919 6.6825 6.6825 8.7843 8.7843 9.0729 9.0729 9.6237 9.6237 10.0366 10.0366 k = 0.2778 0.4333 0.2180 ( 4228 PWs) bands (ev): -14.0649 -14.0649 -14.0511 -14.0511 -9.1591 -9.1591 -9.1553 -9.1553 -7.3493 -7.3493 -7.3239 -7.3239 -1.3704 -1.3704 -1.1701 -1.1701 -0.0928 -0.0928 0.1443 0.1443 1.6203 1.6203 1.6409 1.6409 2.5458 2.5458 2.5674 2.5674 3.8541 3.8541 3.8672 3.8672 5.0838 5.0838 5.1288 5.1288 6.6145 6.6145 6.7110 6.7110 8.7331 8.7331 9.0120 9.0120 9.5736 9.5736 9.9836 9.9836 k = 0.2667 0.4333 0.2180 ( 4224 PWs) bands (ev): -14.0890 -14.0890 -14.0753 -14.0753 -9.1834 -9.1834 -9.1794 -9.1794 -7.2768 -7.2768 -7.2516 -7.2516 -1.3633 -1.3633 -1.1664 -1.1664 -0.0108 -0.0108 0.2239 0.2239 1.5595 1.5595 1.5776 1.5776 2.5312 2.5312 2.5541 2.5541 3.8556 3.8556 3.8701 3.8701 5.1122 5.1122 5.1578 5.1578 6.6384 6.6384 6.7408 6.7408 8.6828 8.6828 8.9502 8.9502 9.5219 9.5219 9.9270 9.9270 k = 0.2556 0.4333 0.2180 ( 4224 PWs) bands (ev): -14.1129 -14.1129 -14.0993 -14.0993 -9.2072 -9.2072 -9.2030 -9.2030 -7.2041 -7.2041 -7.1794 -7.1794 -1.3544 -1.3544 -1.1608 -1.1608 0.0721 0.0721 0.3042 0.3042 1.4980 1.4980 1.5132 1.5132 2.5180 2.5180 2.5423 2.5423 3.8560 3.8560 3.8718 3.8718 5.1372 5.1372 5.1834 5.1834 6.6638 6.6638 6.7720 6.7720 8.6336 8.6336 8.8873 8.8873 9.4693 9.4693 9.8673 9.8673 k = 0.2444 0.4333 0.2180 ( 4224 PWs) bands (ev): -14.1365 -14.1365 -14.1230 -14.1230 -9.2304 -9.2304 -9.2261 -9.2261 -7.1316 -7.1316 -7.1074 -7.1074 -1.3435 -1.3435 -1.1532 -1.1532 0.1552 0.1552 0.3844 0.3844 1.4359 1.4359 1.4478 1.4478 2.5066 2.5066 2.5323 2.5323 3.8552 3.8552 3.8725 3.8725 5.1584 5.1584 5.2051 5.2051 6.6908 6.6908 6.8048 6.8048 8.5853 8.5853 8.8231 8.8231 9.4165 9.4165 9.8050 9.8050 k = 0.2333 0.4333 0.2180 ( 4232 PWs) bands (ev): -14.1597 -14.1597 -14.1464 -14.1464 -9.2530 -9.2530 -9.2485 -9.2485 -7.0595 -7.0595 -7.0360 -7.0360 -1.3304 -1.3304 -1.1433 -1.1433 0.2378 0.2378 0.4639 0.4639 1.3733 1.3733 1.3815 1.3815 2.4978 2.4978 2.5246 2.5246 3.8534 3.8534 3.8720 3.8720 5.1753 5.1753 5.2226 5.2226 6.7195 6.7195 6.8391 6.8391 8.5378 8.5378 8.7575 8.7575 9.3642 9.3642 9.7406 9.7406 k = 0.2222 0.4333 0.2180 ( 4236 PWs) bands (ev): -14.1824 -14.1824 -14.1694 -14.1694 -9.2749 -9.2749 -9.2704 -9.2704 -6.9882 -6.9882 -6.9654 -6.9654 -1.3151 -1.3151 -1.1310 -1.1310 0.3193 0.3193 0.5418 0.5418 1.3104 1.3104 1.3145 1.3145 2.4921 2.4921 2.5198 2.5198 3.8504 3.8504 3.8705 3.8705 5.1876 5.1876 5.2354 5.2354 6.7499 6.7499 6.8750 6.8750 8.4910 8.4910 8.6902 8.6902 9.3131 9.3131 9.6749 9.6749 k = 0.2111 0.4333 0.2180 ( 4240 PWs) bands (ev): -14.2045 -14.2045 -14.1919 -14.1919 -9.2960 -9.2960 -9.2915 -9.2915 -6.9179 -6.9179 -6.8959 -6.8959 -1.2974 -1.2974 -1.1163 -1.1163 0.3987 0.3987 0.6167 0.6167 1.2470 1.2470 1.2477 1.2477 2.4901 2.4901 2.5185 2.5185 3.8464 3.8464 3.8679 3.8679 5.1953 5.1953 5.2435 5.2435 6.7821 6.7821 6.9124 6.9124 8.4448 8.4448 8.6211 8.6211 9.2640 9.2640 9.6086 9.6086 k = 0.2000 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.2259 -14.2259 -14.2137 -14.2137 -9.3164 -9.3164 -9.3120 -9.3120 -6.8489 -6.8489 -6.8278 -6.8278 -1.2771 -1.2771 -1.0990 -1.0990 0.4748 0.4748 0.6871 0.6871 1.1797 1.1797 1.1859 1.1859 2.4925 2.4925 2.5212 2.5212 3.8412 3.8412 3.8641 3.8641 5.1982 5.1982 5.2468 5.2468 6.8158 6.8158 6.9511 6.9511 8.3990 8.3990 8.5502 8.5502 9.2173 9.2173 9.5424 9.5424 k = 0.1889 0.4333 0.2180 ( 4236 PWs) bands (ev): -14.2466 -14.2466 -14.2348 -14.2348 -9.3360 -9.3360 -9.3316 -9.3316 -6.7815 -6.7815 -6.7615 -6.7615 -1.2541 -1.2541 -1.0789 -1.0789 0.5459 0.5459 0.7502 0.7502 1.1135 1.1135 1.1271 1.1271 2.5002 2.5002 2.5285 2.5285 3.8348 3.8348 3.8592 3.8592 5.1964 5.1964 5.2453 5.2453 6.8508 6.8508 6.9909 6.9909 8.3535 8.3535 8.4780 8.4780 9.1736 9.1736 9.4771 9.4771 k = 0.1778 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.2665 -14.2665 -14.2551 -14.2551 -9.3547 -9.3547 -9.3504 -9.3504 -6.7161 -6.7161 -6.6971 -6.6971 -1.2284 -1.2284 -1.0561 -1.0561 0.6093 0.6093 0.8003 0.8003 1.0505 1.0505 1.0760 1.0760 2.5137 2.5137 2.5409 2.5409 3.8271 3.8271 3.8531 3.8531 5.1902 5.1902 5.2393 5.2393 6.8866 6.8866 7.0312 7.0312 8.3082 8.3082 8.4047 8.4047 9.1330 9.1330 9.4133 9.4133 k = 0.1667 0.4333 0.2180 ( 4248 PWs) bands (ev): -14.2854 -14.2854 -14.2746 -14.2746 -9.3725 -9.3725 -9.3683 -9.3683 -6.6529 -6.6529 -6.6350 -6.6350 -1.1997 -1.1997 -1.0304 -1.0304 0.6595 0.6595 0.8250 0.8250 0.9957 0.9957 1.0444 1.0444 2.5337 2.5337 2.5589 2.5589 3.8181 3.8181 3.8457 3.8457 5.1799 5.1799 5.2289 5.2289 6.9227 6.9227 7.0717 7.0717 8.2631 8.2631 8.3310 8.3310 9.0957 9.0957 9.3518 9.3518 k = 0.1556 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.3034 -14.3034 -14.2932 -14.2932 -9.3893 -9.3893 -9.3853 -9.3853 -6.5922 -6.5922 -6.5754 -6.5754 -1.1680 -1.1680 -1.0018 -1.0018 0.6858 0.6858 0.8107 0.8107 0.9593 0.9593 1.0451 1.0451 2.5607 2.5607 2.5830 2.5830 3.8077 3.8077 3.8368 3.8368 5.1659 5.1659 5.2146 5.2146 6.9585 6.9585 7.1115 7.1115 8.2185 8.2185 8.2580 8.2580 9.0618 9.0618 9.2933 9.2933 k = 0.1444 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.3204 -14.3204 -14.3107 -14.3107 -9.4052 -9.4052 -9.4013 -9.4013 -6.5343 -6.5343 -6.5187 -6.5187 -1.1333 -1.1333 -0.9704 -0.9704 0.6759 0.6759 0.7656 0.7656 0.9531 0.9531 1.0696 1.0696 2.5950 2.5950 2.6134 2.6134 3.7956 3.7956 3.8263 3.8263 5.1487 5.1487 5.1968 5.1968 6.9933 6.9933 7.1498 7.1498 8.1747 8.1747 8.1866 8.1866 9.0310 9.0310 9.2380 9.2380 k = 0.1333 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.3362 -14.3362 -14.3272 -14.3272 -9.4200 -9.4200 -9.4163 -9.4163 -6.4794 -6.4794 -6.4650 -6.4650 -1.0956 -1.0956 -0.9360 -0.9360 0.6335 0.6335 0.7060 0.7060 0.9732 0.9732 1.1014 1.1014 2.6364 2.6364 2.6502 2.6502 3.7817 3.7817 3.8141 3.8141 5.1289 5.1289 5.1759 5.1759 7.0263 7.0263 7.1856 7.1856 8.1184 8.1184 8.1323 8.1323 9.0033 9.0033 9.1865 9.1865 k = 0.1222 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.3510 -14.3510 -14.3426 -14.3426 -9.4337 -9.4337 -9.4303 -9.4303 -6.4279 -6.4279 -6.4147 -6.4147 -1.0549 -1.0549 -0.8989 -0.8989 0.5733 0.5733 0.6401 0.6401 1.0051 1.0051 1.1324 1.1324 2.6849 2.6849 2.6932 2.6932 3.7658 3.7658 3.7998 3.7998 5.1069 5.1069 5.1526 5.1526 7.0570 7.0570 7.2179 7.2179 8.0548 8.0548 8.0917 8.0917 8.9785 8.9785 9.1390 9.1390 k = 0.1111 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.3646 -14.3646 -14.3569 -14.3569 -9.4463 -9.4463 -9.4432 -9.4432 -6.3799 -6.3799 -6.3680 -6.3680 -1.0113 -1.0113 -0.8592 -0.8592 0.5050 0.5050 0.5712 0.5712 1.0395 1.0395 1.1597 1.1597 2.7396 2.7396 2.7421 2.7421 3.7476 3.7476 3.7833 3.7833 5.0836 5.0836 5.1274 5.1274 7.0845 7.0845 7.2451 7.2451 7.9974 7.9974 8.0539 8.0539 8.9563 8.9563 9.0955 9.0955 k = 0.1000 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.3769 -14.3769 -14.3699 -14.3699 -9.4579 -9.4579 -9.4550 -9.4550 -6.3357 -6.3357 -6.3250 -6.3250 -0.9648 -0.9648 -0.8171 -0.8171 0.4331 0.4331 0.5008 0.5008 1.0722 1.0722 1.1826 1.1826 2.7964 2.7964 2.7999 2.7999 3.7269 3.7269 3.7641 3.7641 5.0595 5.0595 5.1010 5.1010 7.1083 7.1083 7.2661 7.2661 7.9482 7.9482 8.0195 8.0195 8.9367 8.9367 9.0561 9.0561 k = 0.0889 0.4333 0.2180 ( 4248 PWs) bands (ev): -14.3880 -14.3880 -14.3818 -14.3818 -9.4682 -9.4682 -9.4656 -9.4656 -6.2956 -6.2956 -6.2861 -6.2861 -0.9158 -0.9158 -0.7730 -0.7730 0.3598 0.3598 0.4298 0.4298 1.1019 1.1019 1.2009 1.2009 2.8552 2.8552 2.8647 2.8647 3.7034 3.7034 3.7420 3.7420 5.0354 5.0354 5.0740 5.0740 7.1283 7.1283 7.2795 7.2795 7.9084 7.9084 7.9890 7.9890 8.9195 8.9195 9.0208 9.0208 k = 0.0778 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.3979 -14.3979 -14.3924 -14.3924 -9.4774 -9.4774 -9.4751 -9.4751 -6.2596 -6.2596 -6.2514 -6.2514 -0.8644 -0.8644 -0.7275 -0.7275 0.2867 0.2867 0.3591 0.3591 1.1281 1.1281 1.2149 1.2149 2.9176 2.9176 2.9328 2.9328 3.6767 3.6767 3.7166 3.7166 5.0120 5.0120 5.0472 5.0472 7.1442 7.1442 7.2848 7.2848 7.8792 7.8792 7.9629 7.9629 8.9047 8.9047 8.9895 8.9895 k = 0.0667 0.4333 0.2180 ( 4248 PWs) bands (ev): -14.4064 -14.4064 -14.4016 -14.4016 -9.4854 -9.4854 -9.4833 -9.4833 -6.2280 -6.2280 -6.2210 -6.2210 -0.8112 -0.8112 -0.6813 -0.6813 0.2153 0.2153 0.2893 0.2893 1.1508 1.1508 1.2251 1.2251 2.9826 2.9826 3.0031 3.0031 3.6465 3.6465 3.6875 3.6875 4.9900 4.9900 5.0214 5.0214 7.1564 7.1564 7.2824 7.2824 7.8602 7.8602 7.9412 7.9412 8.8923 8.8923 8.9619 8.9619 k = 0.0556 0.4333 0.2180 ( 4248 PWs) bands (ev): -14.4136 -14.4136 -14.4096 -14.4096 -9.4921 -9.4921 -9.4904 -9.4904 -6.2009 -6.2009 -6.1951 -6.1951 -0.7569 -0.7569 -0.6358 -0.6358 0.1472 0.1472 0.2214 0.2214 1.1702 1.1702 1.2318 1.2318 3.0491 3.0491 3.0743 3.0743 3.6126 3.6126 3.6543 3.6543 4.9703 4.9703 4.9973 4.9973 7.1658 7.1658 7.2736 7.2736 7.8504 7.8504 7.9235 7.9235 8.8822 8.8822 8.9382 8.9382 k = 0.0444 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.4194 -14.4194 -14.4162 -14.4162 -9.4976 -9.4976 -9.4962 -9.4962 -6.1785 -6.1785 -6.1739 -6.1739 -0.7024 -0.7024 -0.5930 -0.5930 0.0848 0.0848 0.1564 0.1564 1.1866 1.1866 1.2357 1.2357 3.1159 3.1159 3.1451 3.1451 3.5748 3.5748 3.6168 3.6168 4.9535 4.9535 4.9757 4.9757 7.1731 7.1731 7.2605 7.2605 7.8478 7.8478 7.9093 7.9093 8.8747 8.8747 8.9180 8.9180 k = 0.0333 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.4239 -14.4239 -14.4215 -14.4215 -9.5019 -9.5019 -9.5008 -9.5008 -6.1608 -6.1608 -6.1574 -6.1574 -0.6494 -0.6494 -0.5562 -0.5562 0.0315 0.0315 0.0962 0.0962 1.2003 1.2003 1.2370 1.2370 3.1818 3.1818 3.2141 3.2141 3.5331 3.5331 3.5749 3.5749 4.9403 4.9403 4.9574 4.9574 7.1796 7.1796 7.2454 7.2454 7.8501 7.8501 7.8976 7.8976 8.8696 8.8696 8.9013 8.9013 k = 0.0222 0.4333 0.2180 ( 4252 PWs) bands (ev): -14.4270 -14.4270 -14.4253 -14.4253 -9.5049 -9.5049 -9.5042 -9.5042 -6.1480 -6.1480 -6.1457 -6.1457 -0.6002 -0.6002 -0.5301 -0.5301 -0.0078 -0.0078 0.0432 0.0432 1.2116 1.2116 1.2359 1.2359 3.2454 3.2454 3.2796 3.2796 3.4884 3.4884 3.5288 3.5288 4.9313 4.9313 4.9429 4.9429 7.1863 7.1863 7.2302 7.2302 7.8556 7.8556 7.8877 7.8877 8.8674 8.8674 8.8880 8.8880 k = 0.0111 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.4286 -14.4286 -14.4278 -14.4278 -9.5066 -9.5066 -9.5063 -9.5063 -6.1400 -6.1400 -6.1389 -6.1389 -0.5589 -0.5589 -0.5204 -0.5204 -0.0275 -0.0275 0.0014 0.0014 1.2207 1.2207 1.2328 1.2328 3.3046 3.3046 3.3361 3.3361 3.4454 3.4454 3.4799 3.4799 4.9269 4.9269 4.9328 4.9328 7.1943 7.1943 7.2161 7.2161 7.8626 7.8626 7.8788 7.8788 8.8679 8.8679 8.8781 8.8781 k = 0.0000 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5071 -9.5071 -9.5071 -9.5071 -6.1370 -6.1370 -6.1370 -6.1370 -0.5305 -0.5305 -0.5305 -0.5305 -0.0238 -0.0238 -0.0238 -0.0238 1.2277 1.2277 1.2277 1.2277 3.3497 3.3497 3.3497 3.3497 3.4373 3.4373 3.4373 3.4373 4.9274 4.9274 4.9274 4.9274 7.2041 7.2041 7.2041 7.2041 7.8705 7.8705 7.8705 7.8705 8.8715 8.8715 8.8715 8.8715 k = 0.0000 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5071 -9.5071 -9.5071 -9.5071 -6.1370 -6.1370 -6.1370 -6.1370 -0.5305 -0.5305 -0.5305 -0.5305 -0.0238 -0.0238 -0.0238 -0.0238 1.2277 1.2277 1.2277 1.2277 3.3497 3.3497 3.3497 3.3497 3.4373 3.4373 3.4373 3.4373 4.9274 4.9274 4.9274 4.9274 7.2041 7.2041 7.2041 7.2041 7.8705 7.8705 7.8705 7.8705 8.8715 8.8715 8.8715 8.8715 k = 0.0000 0.4222 0.2180 ( 4242 PWs) bands (ev): -14.4931 -14.4931 -14.3641 -14.3641 -9.5309 -9.5309 -9.4834 -9.4834 -6.1839 -6.1839 -6.0875 -6.0875 -0.5929 -0.5929 -0.4693 -0.4693 -0.1178 -0.1178 0.0706 0.0706 1.1938 1.1938 1.2630 1.2630 3.3364 3.3364 3.3631 3.3631 3.4282 3.4282 3.4473 3.4473 4.8931 4.8931 4.9567 4.9567 7.1132 7.1132 7.2889 7.2889 7.7903 7.7903 7.9561 7.9561 8.8275 8.8275 8.9165 8.9165 k = 0.0000 0.4111 0.2180 ( 4248 PWs) bands (ev): -14.5567 -14.5567 -14.2988 -14.2988 -9.5550 -9.5550 -9.4600 -9.4600 -6.2282 -6.2282 -6.0355 -6.0355 -0.6556 -0.6556 -0.4123 -0.4123 -0.2080 -0.2080 0.1643 0.1643 1.1616 1.1616 1.2995 1.2995 3.3238 3.3238 3.3749 3.3749 3.4217 3.4217 3.4578 3.4578 4.8542 4.8542 4.9808 4.9808 7.0201 7.0201 7.3592 7.3592 7.7240 7.7240 8.0438 8.0438 8.7849 8.7849 8.9624 8.9624 k = 0.0000 0.4000 0.2180 ( 4240 PWs) bands (ev): -14.6194 -14.6194 -14.2332 -14.2332 -9.5790 -9.5790 -9.4370 -9.4370 -6.2700 -6.2700 -5.9810 -5.9810 -0.7187 -0.7187 -0.3807 -0.3807 -0.2726 -0.2726 0.2565 0.2565 1.1316 1.1316 1.3368 1.3368 3.3122 3.3122 3.3806 3.3806 3.4219 3.4219 3.4686 3.4686 4.8109 4.8109 4.9991 4.9991 6.9270 6.9270 7.3952 7.3952 7.6909 7.6909 8.1315 8.1315 8.7440 8.7440 9.0090 9.0090 k = 0.0000 0.3889 0.2180 ( 4238 PWs) bands (ev): -14.6812 -14.6812 -14.1672 -14.1672 -9.6030 -9.6030 -9.4145 -9.4145 -6.3091 -6.3091 -5.9240 -5.9240 -0.7821 -0.7821 -0.4345 -0.4345 -0.2516 -0.2516 0.3463 0.3463 1.1046 1.1046 1.3750 1.3750 3.3017 3.3017 3.3776 3.3776 3.4313 3.4313 3.4799 3.4799 4.7635 4.7635 5.0110 5.0110 6.8356 6.8356 7.3778 7.3778 7.7100 7.7100 8.2181 8.2181 8.7054 8.7054 9.0561 9.0561 k = 0.0000 0.3778 0.2180 ( 4234 PWs) bands (ev): -14.7421 -14.7421 -14.1011 -14.1011 -9.6269 -9.6269 -9.3924 -9.3924 -6.3456 -6.3456 -5.8645 -5.8645 -0.8460 -0.8460 -0.5222 -0.5222 -0.1960 -0.1960 0.4322 0.4322 1.0817 1.0817 1.4137 1.4137 3.2923 3.2923 3.3696 3.3696 3.4457 3.4457 3.4920 3.4920 4.7121 4.7121 5.0161 5.0161 6.7472 6.7472 7.3229 7.3229 7.7651 7.7651 8.3022 8.3022 8.6699 8.6699 9.1036 9.1036 k = 0.0000 0.3667 0.2180 ( 4238 PWs) bands (ev): -14.8019 -14.8019 -14.0350 -14.0350 -9.6505 -9.6505 -9.3709 -9.3709 -6.3795 -6.3795 -5.8027 -5.8027 -0.9109 -0.9109 -0.6137 -0.6137 -0.1352 -0.1352 0.5124 0.5124 1.0649 1.0649 1.4529 1.4529 3.2841 3.2841 3.3598 3.3598 3.4612 3.4612 3.5052 3.5052 4.6569 4.6569 5.0135 5.0135 6.6634 6.6634 7.2537 7.2537 7.8325 7.8325 8.3820 8.3820 8.6393 8.6393 9.1513 9.1513 k = 0.0000 0.3556 0.2180 ( 4246 PWs) bands (ev): -14.8606 -14.8606 -13.9690 -13.9690 -9.6738 -9.6738 -9.3501 -9.3501 -6.4107 -6.4107 -5.7386 -5.7386 -0.9772 -0.9772 -0.7045 -0.7045 -0.0733 -0.0733 0.5837 0.5837 1.0571 1.0571 1.4925 1.4925 3.2770 3.2770 3.3492 3.3492 3.4761 3.4761 3.5204 3.5204 4.5983 4.5983 5.0025 5.0025 6.5852 6.5852 7.1810 7.1810 7.9008 7.9008 8.4526 8.4526 8.6190 8.6190 9.1991 9.1991 k = 0.0000 0.3444 0.2180 ( 4250 PWs) bands (ev): -14.9181 -14.9181 -13.9033 -13.9033 -9.6966 -9.6966 -9.3298 -9.3298 -6.4394 -6.4394 -5.6723 -5.6723 -1.0461 -1.0461 -0.7927 -0.7927 -0.0112 -0.0112 0.6418 0.6418 1.0626 1.0626 1.5323 1.5323 3.2710 3.2710 3.3382 3.3382 3.4895 3.4895 3.5378 3.5378 4.5365 4.5365 4.9825 4.9825 6.5139 6.5139 7.1090 7.1090 7.9649 7.9649 8.4987 8.4987 8.6250 8.6250 9.2469 9.2469 k = 0.0000 0.3333 0.2180 ( 4250 PWs) bands (ev): -14.9743 -14.9743 -13.8379 -13.8379 -9.7190 -9.7190 -9.3103 -9.3103 -6.4654 -6.4654 -5.6038 -5.6038 -1.1183 -1.1183 -0.8769 -0.8769 0.0505 0.0505 0.6825 0.6825 1.0856 1.0856 1.5723 1.5723 3.2660 3.2660 3.3271 3.3271 3.5011 3.5011 3.5573 3.5573 4.4719 4.4719 4.9530 4.9530 6.4504 6.4504 7.0397 7.0397 8.0216 8.0216 8.5078 8.5078 8.6708 8.6708 9.2947 9.2947 k = 0.0000 0.3222 0.2180 ( 4256 PWs) bands (ev): -15.0292 -15.0292 -13.7731 -13.7731 -9.7407 -9.7407 -9.2915 -9.2915 -6.4889 -6.4889 -5.5333 -5.5333 -1.1949 -1.1949 -0.9556 -0.9556 0.1116 0.1116 0.7046 0.7046 1.1270 1.1270 1.6122 1.6122 3.2620 3.2620 3.3159 3.3159 3.5113 3.5113 3.5784 3.5784 4.4049 4.4049 4.9138 4.9138 6.3953 6.3953 6.9743 6.9743 8.0679 8.0679 8.5025 8.5025 8.7353 8.7353 9.3423 9.3423 k = 0.0000 0.3111 0.2180 ( 4248 PWs) bands (ev): -15.0828 -15.0828 -13.7089 -13.7089 -9.7617 -9.7617 -9.2734 -9.2734 -6.5098 -6.5098 -5.4609 -5.4609 -1.2764 -1.2764 -1.0284 -1.0284 0.1717 0.1717 0.7116 0.7116 1.1835 1.1835 1.6520 1.6520 3.2587 3.2587 3.3047 3.3047 3.5205 3.5205 3.6004 3.6004 4.3360 4.3360 4.8651 4.8651 6.3489 6.3489 6.9135 6.9135 8.1018 8.1018 8.4991 8.4991 8.8038 8.8038 9.3898 9.3898 k = 0.0000 0.3000 0.2180 ( 4246 PWs) bands (ev): -15.1348 -15.1348 -13.6456 -13.6456 -9.7820 -9.7820 -9.2561 -9.2561 -6.5281 -6.5281 -5.3867 -5.3867 -1.3625 -1.3625 -1.0952 -1.0952 0.2303 0.2303 0.7090 0.7090 1.2495 1.2495 1.6914 1.6914 3.2561 3.2561 3.2936 3.2936 3.5288 3.5288 3.6228 3.6228 4.2660 4.2660 4.8077 4.8077 6.3108 6.3108 6.8578 6.8578 8.1219 8.1219 8.5021 8.5021 8.8723 8.8723 9.4371 9.4371 k = 0.0000 0.2889 0.2180 ( 4246 PWs) bands (ev): -15.1854 -15.1854 -13.5833 -13.5833 -9.8014 -9.8014 -9.2396 -9.2396 -6.5438 -6.5438 -5.3108 -5.3108 -1.4525 -1.4525 -1.1566 -1.1566 0.2868 0.2868 0.7013 0.7013 1.3207 1.3207 1.7305 1.7305 3.2540 3.2540 3.2825 3.2825 3.5364 3.5364 3.6448 3.6448 4.1955 4.1955 4.7426 4.7426 6.2806 6.2806 6.8077 6.8077 8.1291 8.1291 8.5117 8.5117 8.9396 8.9396 9.4842 9.4842 k = 0.0000 0.2778 0.2180 ( 4258 PWs) bands (ev): -15.2344 -15.2344 -13.5221 -13.5221 -9.8199 -9.8199 -9.2239 -9.2239 -6.5570 -6.5570 -5.2334 -5.2334 -1.5453 -1.5453 -1.2135 -1.2135 0.3405 0.3405 0.6922 0.6922 1.3938 1.3938 1.7689 1.7689 3.2522 3.2522 3.2716 3.2716 3.5435 3.5435 3.6658 3.6658 4.1258 4.1258 4.6712 4.6712 6.2571 6.2571 6.7633 6.7633 8.1258 8.1258 8.5256 8.5256 9.0052 9.0052 9.5311 9.5311 k = 0.0000 0.2667 0.2180 ( 4254 PWs) bands (ev): -15.2819 -15.2819 -13.4621 -13.4621 -9.8373 -9.8373 -9.2090 -9.2090 -6.5677 -6.5677 -5.1547 -5.1547 -1.6401 -1.6401 -1.2665 -1.2665 0.3898 0.3898 0.6845 0.6845 1.4668 1.4668 1.8066 1.8066 3.2505 3.2505 3.2609 3.2609 3.5500 3.5500 3.6843 3.6843 4.0586 4.0586 4.5952 4.5952 6.2394 6.2394 6.7250 6.7250 8.1149 8.1149 8.5409 8.5409 9.0689 9.0689 9.5780 9.5780 k = 0.0000 0.2556 0.2180 ( 4258 PWs) bands (ev): -15.3277 -15.3277 -13.4037 -13.4037 -9.8538 -9.8538 -9.1949 -9.1949 -6.5760 -6.5760 -5.0748 -5.0748 -1.7362 -1.7362 -1.3163 -1.3163 0.4324 0.4324 0.6816 0.6816 1.5381 1.5381 1.8433 1.8433 3.2478 3.2478 3.2512 3.2512 3.5561 3.5561 3.6978 3.6978 3.9968 3.9968 4.5163 4.5163 6.2262 6.2262 6.6929 6.6929 8.0991 8.0991 8.5551 8.5551 9.1306 9.1306 9.6246 9.6246 k = 0.0000 0.2444 0.2180 ( 4262 PWs) bands (ev): -15.3718 -15.3718 -13.3468 -13.3468 -9.8691 -9.8691 -9.1816 -9.1816 -6.5818 -6.5818 -4.9940 -4.9940 -1.8327 -1.8327 -1.3633 -1.3633 0.4652 0.4652 0.6872 0.6872 1.6063 1.6063 1.8789 1.8789 3.2390 3.2390 3.2476 3.2476 3.5617 3.5617 3.7015 3.7015 3.9456 3.9456 4.4363 4.4363 6.2164 6.2164 6.6673 6.6673 8.0804 8.0804 8.5664 8.5664 9.1901 9.1901 9.6712 9.6712 k = 0.0000 0.2333 0.2180 ( 4258 PWs) bands (ev): -15.4142 -15.4142 -13.2916 -13.2916 -9.8833 -9.8833 -9.1690 -9.1690 -6.5852 -6.5852 -4.9126 -4.9126 -1.9294 -1.9294 -1.4077 -1.4077 0.4853 0.4853 0.7044 0.7044 1.6705 1.6705 1.9132 1.9132 3.2288 3.2288 3.2453 3.2453 3.5669 3.5669 3.6887 3.6887 3.9124 3.9124 4.3570 4.3570 6.2088 6.2088 6.6482 6.6482 8.0599 8.0599 8.5737 8.5737 9.2474 9.2474 9.7175 9.7175 k = 0.0000 0.2222 0.2180 ( 4258 PWs) bands (ev): -15.4548 -15.4548 -13.2383 -13.2383 -9.8964 -9.8964 -9.1573 -9.1573 -6.5863 -6.5863 -4.8307 -4.8307 -2.0257 -2.0257 -1.4498 -1.4498 0.4934 0.4934 0.7327 0.7327 1.7292 1.7292 1.9462 1.9462 3.2187 3.2187 3.2428 3.2428 3.5715 3.5715 3.6563 3.6563 3.9006 3.9006 4.2800 4.2800 6.2026 6.2026 6.6357 6.6357 8.0386 8.0386 8.5765 8.5765 9.3024 9.3024 9.7636 9.7636 k = 0.0000 0.2111 0.2180 ( 4262 PWs) bands (ev): -15.4936 -15.4936 -13.1870 -13.1870 -9.9083 -9.9083 -9.1462 -9.1462 -6.5852 -6.5852 -4.7487 -4.7487 -2.1214 -2.1214 -1.4896 -1.4896 0.4930 0.4930 0.7687 0.7687 1.7812 1.7812 1.9777 1.9777 3.2088 3.2088 3.2401 3.2401 3.5746 3.5746 3.6110 3.6110 3.9048 3.9048 4.2069 4.2069 6.1970 6.1970 6.6297 6.6297 8.0169 8.0169 8.5745 8.5745 9.3550 9.3550 9.8093 9.8093 k = 0.0000 0.2000 0.2180 ( 4254 PWs) bands (ev): -15.5307 -15.5307 -13.1379 -13.1379 -9.9190 -9.9190 -9.1360 -9.1360 -6.5819 -6.5819 -4.6668 -4.6668 -2.2159 -2.2159 -1.5273 -1.5273 0.4877 0.4877 0.8089 0.8089 1.8251 1.8251 2.0078 2.0078 3.1992 3.1992 3.2375 3.2375 3.5527 3.5527 3.5842 3.5842 3.9172 3.9172 4.1395 4.1395 6.1916 6.1916 6.6300 6.6300 7.9954 7.9954 8.5677 8.5677 9.4052 9.4052 9.8547 9.8547 k = 0.0000 0.1889 0.2180 ( 4250 PWs) bands (ev): -15.5658 -15.5658 -13.0910 -13.0910 -9.9287 -9.9287 -9.1264 -9.1264 -6.5766 -6.5766 -4.5854 -4.5854 -2.3090 -2.3090 -1.5629 -1.5629 0.4801 0.4801 0.8507 0.8507 1.8593 1.8593 2.0365 2.0365 3.1900 3.1900 3.2353 3.2353 3.5004 3.5004 3.5862 3.5862 3.9326 3.9326 4.0795 4.0795 6.1861 6.1861 6.6362 6.6362 7.9741 7.9741 8.5563 8.5563 9.4528 9.4528 9.8995 9.8995 k = 0.0000 0.1778 0.2180 ( 4252 PWs) bands (ev): -15.5991 -15.5991 -13.0464 -13.0464 -9.9372 -9.9372 -9.1175 -9.1175 -6.5694 -6.5694 -4.5048 -4.5048 -2.4003 -2.4003 -1.5964 -1.5964 0.4717 0.4717 0.8925 0.8925 1.8827 1.8827 2.0639 2.0639 3.1815 3.1815 3.2342 3.2342 3.4479 3.4479 3.5894 3.5894 3.9451 3.9451 4.0309 4.0309 6.1804 6.1804 6.6479 6.6479 7.9532 7.9532 8.5406 8.5406 9.4978 9.4978 9.9436 9.9436 k = 0.0000 0.1667 0.2180 ( 4254 PWs) bands (ev): -15.6305 -15.6305 -13.0043 -13.0043 -9.9446 -9.9446 -9.1093 -9.1093 -6.5605 -6.5605 -4.4255 -4.4255 -2.4895 -2.4895 -1.6279 -1.6279 0.4633 0.4633 0.9336 0.9336 1.8945 1.8945 2.0897 2.0897 3.1736 3.1736 3.2347 3.2347 3.3980 3.3980 3.5927 3.5927 3.9400 3.9400 4.0079 4.0079 6.1746 6.1746 6.6643 6.6643 7.9329 7.9329 8.5209 8.5209 9.5402 9.5402 9.9868 9.9868 k = 0.0000 0.1556 0.2180 ( 4254 PWs) bands (ev): -15.6600 -15.6600 -12.9647 -12.9647 -9.9510 -9.9510 -9.1018 -9.1018 -6.5499 -6.5499 -4.3478 -4.3478 -2.5761 -2.5761 -1.6574 -1.6574 0.4556 0.4556 0.9733 0.9733 1.8944 1.8944 2.1136 2.1136 3.1664 3.1664 3.2371 3.2371 3.3523 3.3523 3.5957 3.5957 3.9118 3.9118 4.0150 4.0150 6.1687 6.1687 6.6850 6.6850 7.9131 7.9131 8.4977 8.4977 9.5800 9.5800 10.0290 10.0290 k = 0.0000 0.1444 0.2180 ( 4242 PWs) bands (ev): -15.6875 -15.6875 -12.9277 -12.9277 -9.9564 -9.9564 -9.0949 -9.0949 -6.5381 -6.5381 -4.2722 -4.2722 -2.6598 -2.6598 -1.6848 -1.6848 0.4488 0.4488 1.0113 1.0113 1.8831 1.8831 2.1352 2.1352 3.1596 3.1596 3.2403 3.2403 3.3134 3.3134 3.5987 3.5987 3.8800 3.8800 4.0317 4.0317 6.1629 6.1629 6.7095 6.7095 7.8938 7.8938 8.4715 8.4715 9.6170 9.6170 10.0699 10.0699 k = 0.0000 0.1333 0.2180 ( 4240 PWs) bands (ev): -15.7131 -15.7131 -12.8933 -12.8933 -9.9610 -9.9610 -9.0886 -9.0886 -6.5251 -6.5251 -4.1992 -4.1992 -2.7401 -2.7401 -1.7103 -1.7103 0.4431 0.4431 1.0472 1.0472 1.8616 1.8616 2.1543 2.1543 3.1526 3.1526 3.2363 3.2363 3.2902 3.2902 3.6015 3.6015 3.8514 3.8514 4.0503 4.0503 6.1572 6.1572 6.7370 6.7370 7.8750 7.8750 8.4428 8.4428 9.6514 9.6514 10.1093 10.1093 k = 0.0000 0.1222 0.2180 ( 4236 PWs) bands (ev): -15.7367 -15.7367 -12.8616 -12.8616 -9.9648 -9.9648 -9.0829 -9.0829 -6.5113 -6.5113 -4.1292 -4.1292 -2.8165 -2.8165 -1.7337 -1.7337 0.4387 0.4387 1.0810 1.0810 1.8313 1.8313 2.1708 2.1708 3.1448 3.1448 3.2166 3.2166 3.2921 3.2921 3.6042 3.6042 3.8266 3.8266 4.0690 4.0690 6.1519 6.1519 6.7670 6.7670 7.8566 7.8566 8.4123 8.4123 9.6831 9.6831 10.1471 10.1471 k = 0.0000 0.1111 0.2180 ( 4228 PWs) bands (ev): -15.7583 -15.7583 -12.8327 -12.8327 -9.9678 -9.9678 -9.0778 -9.0778 -6.4969 -6.4969 -4.0628 -4.0628 -2.8887 -2.8887 -1.7551 -1.7551 0.4357 0.4357 1.1124 1.1124 1.7942 1.7942 2.1846 2.1846 3.1348 3.1348 3.1935 3.1935 3.3075 3.3075 3.6069 3.6069 3.8052 3.8052 4.0870 4.0870 6.1469 6.1469 6.7990 6.7990 7.8385 7.8385 8.3806 8.3806 9.7120 9.7120 10.1828 10.1828 k = 0.0000 0.1000 0.2180 ( 4238 PWs) bands (ev): -15.7778 -15.7778 -12.8065 -12.8065 -9.9702 -9.9702 -9.0732 -9.0732 -6.4824 -6.4824 -4.0005 -4.0005 -2.9560 -2.9560 -1.7744 -1.7744 0.4340 0.4340 1.1414 1.1414 1.7521 1.7521 2.1959 2.1959 3.1213 3.1213 3.1756 3.1756 3.3284 3.3284 3.6095 3.6095 3.7865 3.7865 4.1041 4.1041 6.1423 6.1423 6.8323 6.8323 7.8207 7.8207 8.3484 8.3484 9.7382 9.7382 10.2164 10.2164 k = 0.0000 0.0889 0.2180 ( 4252 PWs) bands (ev): -15.7954 -15.7954 -12.7831 -12.7831 -9.9720 -9.9720 -9.0692 -9.0692 -6.4680 -6.4680 -3.9429 -3.9429 -3.0180 -3.0180 -1.7918 -1.7918 0.4336 0.4336 1.1679 1.1679 1.7072 1.7072 2.2048 2.2048 3.1049 3.1049 3.1639 3.1639 3.3521 3.3521 3.6123 3.6123 3.7698 3.7698 4.1199 4.1199 6.1382 6.1382 6.8663 6.8663 7.8031 7.8031 8.3167 8.3167 9.7617 9.7617 10.2475 10.2475 k = 0.0000 0.0778 0.2180 ( 4248 PWs) bands (ev): -15.8109 -15.8109 -12.7624 -12.7624 -9.9734 -9.9734 -9.0657 -9.0657 -6.4541 -6.4541 -3.8905 -3.8905 -3.0743 -3.0743 -1.8071 -1.8071 0.4343 0.4343 1.1919 1.1919 1.6615 1.6615 2.2118 2.2118 3.0880 3.0880 3.1565 3.1565 3.3771 3.3771 3.6152 3.6152 3.7545 3.7545 4.1344 4.1344 6.1346 6.1346 6.9003 6.9003 7.7858 7.7858 8.2861 8.2861 9.7824 9.7824 10.2758 10.2758 k = 0.0000 0.0667 0.2180 ( 4248 PWs) bands (ev): -15.8244 -15.8244 -12.7445 -12.7445 -9.9744 -9.9744 -9.0627 -9.0627 -6.4410 -6.4410 -3.8438 -3.8438 -3.1242 -3.1242 -1.8203 -1.8203 0.4359 0.4359 1.2133 1.2133 1.6167 1.6167 2.2169 2.2169 3.0725 3.0725 3.1515 3.1515 3.4020 3.4020 3.6185 3.6185 3.7401 3.7401 4.1472 4.1472 6.1314 6.1314 6.9335 6.9335 7.7688 7.7688 8.2576 8.2576 9.8004 9.8004 10.3010 10.3010 k = 0.0000 0.0556 0.2180 ( 4258 PWs) bands (ev): -15.8358 -15.8358 -12.7294 -12.7294 -9.9751 -9.9751 -9.0601 -9.0601 -6.4292 -6.4292 -3.8034 -3.8034 -3.1673 -3.1673 -1.8315 -1.8315 0.4382 0.4382 1.2321 1.2321 1.5748 1.5748 2.2206 2.2206 3.0593 3.0593 3.1478 3.1478 3.4258 3.4258 3.6223 3.6223 3.7261 3.7261 4.1583 4.1583 6.1287 6.1287 6.9648 6.9648 7.7525 7.7525 8.2319 8.2319 9.8156 9.8156 10.3230 10.3230 k = 0.0000 0.0444 0.2180 ( 4258 PWs) bands (ev): -15.8451 -15.8451 -12.7171 -12.7171 -9.9756 -9.9756 -9.0581 -9.0581 -6.4190 -6.4190 -3.7697 -3.7697 -3.2032 -3.2032 -1.8407 -1.8407 0.4408 0.4408 1.2484 1.2484 1.5371 1.5371 2.2231 2.2231 3.0485 3.0485 3.1451 3.1451 3.4474 3.4474 3.6270 3.6270 3.7123 3.7123 4.1676 4.1676 6.1265 6.1265 6.9931 6.9931 7.7373 7.7373 8.2098 8.2098 9.8281 9.8281 10.3414 10.3414 k = 0.0000 0.0333 0.2180 ( 4242 PWs) bands (ev): -15.8524 -15.8524 -12.7075 -12.7075 -9.9759 -9.9759 -9.0565 -9.0565 -6.4107 -6.4107 -3.7431 -3.7431 -3.2315 -3.2315 -1.8479 -1.8479 0.4434 0.4434 1.2620 1.2620 1.5054 1.5054 2.2247 2.2247 3.0403 3.0403 3.1432 3.1432 3.4657 3.4657 3.6328 3.6328 3.6987 3.6987 4.1749 4.1749 6.1248 6.1248 7.0171 7.0171 7.7240 7.7240 8.1921 8.1921 9.8378 9.8378 10.3559 10.3559 k = 0.0000 0.0222 0.2180 ( 4250 PWs) bands (ev): -15.8576 -15.8576 -12.7006 -12.7006 -9.9761 -9.9761 -9.0554 -9.0554 -6.4046 -6.4046 -3.7238 -3.7238 -3.2520 -3.2520 -1.8530 -1.8530 0.4456 0.4456 1.2725 1.2725 1.4810 1.4810 2.2257 2.2257 3.0345 3.0345 3.1418 3.1418 3.4798 3.4798 3.6402 3.6402 3.6853 3.6853 4.1802 4.1802 6.1236 6.1236 7.0356 7.0356 7.7135 7.7135 8.1790 8.1790 9.8447 9.8447 10.3665 10.3665 k = 0.0000 0.0111 0.2180 ( 4246 PWs) bands (ev): -15.8607 -15.8607 -12.6965 -12.6965 -9.9762 -9.9762 -9.0547 -9.0547 -6.4008 -6.4008 -3.7122 -3.7122 -3.2643 -3.2643 -1.8560 -1.8560 0.4470 0.4470 1.2793 1.2793 1.4654 1.4654 2.2262 2.2262 3.0310 3.0310 3.1411 3.1411 3.4886 3.4886 3.6492 3.6492 3.6723 3.6723 4.1834 4.1834 6.1229 6.1229 7.0472 7.0472 7.7067 7.7067 8.1710 8.1710 9.8489 9.8489 10.3729 10.3729 k = 0.0000 0.0000 0.2180 ( 4250 PWs) bands (ev): -15.8617 -15.8617 -12.6952 -12.6952 -9.9762 -9.9762 -9.0545 -9.0545 -6.3996 -6.3996 -3.7083 -3.7083 -3.2685 -3.2685 -1.8570 -1.8570 0.4475 0.4475 1.2817 1.2817 1.4600 1.4600 2.2263 2.2263 3.0299 3.0299 3.1408 3.1408 3.4916 3.4916 3.6585 3.6585 3.6618 3.6618 4.1844 4.1844 6.1226 6.1226 7.0512 7.0512 7.7044 7.7044 8.1683 8.1683 9.8503 9.8503 10.3750 10.3750 k = 0.0000 0.4333-0.0000 ( 4252 PWs) bands (ev): -14.4291 -14.4291 -14.4291 -14.4291 -9.5051 -9.5051 -9.5051 -9.5051 -6.1419 -6.1419 -6.1419 -6.1419 -0.5340 -0.5340 -0.5340 -0.5340 -0.0889 -0.0889 -0.0889 -0.0889 1.4087 1.4087 1.4087 1.4087 3.2726 3.2726 3.2726 3.2726 3.4325 3.4325 3.4325 3.4325 4.8515 4.8515 4.8515 4.8515 7.1132 7.1132 7.1133 7.1133 8.0009 8.0009 8.0009 8.0009 8.8749 8.8749 8.8749 8.8749 k = 0.0000 0.4333 0.0109 ( 4256 PWs) bands (ev): -14.4291 -14.4291 -14.4291 -14.4291 -9.5051 -9.5051 -9.5051 -9.5051 -6.1419 -6.1419 -6.1419 -6.1419 -0.5340 -0.5340 -0.5340 -0.5340 -0.0886 -0.0886 -0.0886 -0.0886 1.4075 1.4075 1.4075 1.4075 3.2731 3.2731 3.2732 3.2732 3.4325 3.4325 3.4325 3.4325 4.8520 4.8520 4.8520 4.8520 7.1137 7.1137 7.1137 7.1137 8.0002 8.0002 8.0002 8.0002 8.8748 8.8748 8.8748 8.8748 k = 0.0000 0.4333 0.0218 ( 4260 PWs) bands (ev): -14.4291 -14.4291 -14.4291 -14.4291 -9.5052 -9.5052 -9.5052 -9.5052 -6.1418 -6.1418 -6.1418 -6.1418 -0.5340 -0.5340 -0.5340 -0.5340 -0.0875 -0.0875 -0.0875 -0.0875 1.4042 1.4042 1.4042 1.4042 3.2748 3.2748 3.2748 3.2748 3.4325 3.4325 3.4325 3.4325 4.8533 4.8533 4.8533 4.8533 7.1151 7.1151 7.1151 7.1151 7.9981 7.9981 7.9981 7.9981 8.8748 8.8748 8.8748 8.8748 k = 0.0000 0.4333 0.0327 ( 4258 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5052 -9.5052 -9.5052 -9.5052 -6.1417 -6.1417 -6.1417 -6.1417 -0.5338 -0.5338 -0.5338 -0.5338 -0.0857 -0.0857 -0.0857 -0.0857 1.3987 1.3987 1.3987 1.3987 3.2775 3.2775 3.2775 3.2775 3.4326 3.4326 3.4326 3.4326 4.8555 4.8555 4.8555 4.8555 7.1173 7.1173 7.1173 7.1173 7.9947 7.9947 7.9947 7.9947 8.8746 8.8746 8.8746 8.8746 k = 0.0000 0.4333 0.0436 ( 4260 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5053 -9.5053 -9.5053 -9.5053 -6.1415 -6.1415 -6.1415 -6.1415 -0.5337 -0.5337 -0.5337 -0.5337 -0.0833 -0.0833 -0.0833 -0.0833 1.3912 1.3912 1.3912 1.3912 3.2811 3.2811 3.2811 3.2811 3.4327 3.4327 3.4327 3.4327 4.8586 4.8586 4.8586 4.8586 7.1204 7.1204 7.1204 7.1204 7.9901 7.9901 7.9901 7.9901 8.8744 8.8744 8.8744 8.8744 k = 0.0000 0.4333 0.0545 ( 4268 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5054 -9.5054 -9.5054 -9.5054 -6.1412 -6.1412 -6.1412 -6.1412 -0.5335 -0.5335 -0.5335 -0.5335 -0.0802 -0.0802 -0.0802 -0.0802 1.3819 1.3819 1.3819 1.3819 3.2855 3.2855 3.2855 3.2855 3.4328 3.4328 3.4328 3.4328 4.8624 4.8624 4.8624 4.8624 7.1244 7.1244 7.1244 7.1244 7.9842 7.9842 7.9842 7.9842 8.8742 8.8742 8.8742 8.8742 k = 0.0000 0.4333 0.0654 ( 4270 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5055 -9.5055 -9.5055 -9.5055 -6.1409 -6.1409 -6.1409 -6.1409 -0.5333 -0.5333 -0.5333 -0.5333 -0.0766 -0.0766 -0.0766 -0.0766 1.3710 1.3710 1.3711 1.3711 3.2906 3.2906 3.2906 3.2906 3.4329 3.4329 3.4329 3.4329 4.8668 4.8668 4.8668 4.8668 7.1291 7.1291 7.1291 7.1291 7.9772 7.9772 7.9772 7.9772 8.8740 8.8740 8.8740 8.8740 k = 0.0000 0.4333 0.0763 ( 4266 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5057 -9.5057 -9.5057 -9.5057 -6.1406 -6.1406 -6.1406 -6.1406 -0.5330 -0.5330 -0.5330 -0.5330 -0.0725 -0.0725 -0.0725 -0.0725 1.3589 1.3589 1.3589 1.3589 3.2962 3.2962 3.2963 3.2963 3.4331 3.4331 3.4331 3.4331 4.8718 4.8718 4.8718 4.8718 7.1345 7.1345 7.1345 7.1345 7.9692 7.9692 7.9692 7.9692 8.8737 8.8737 8.8737 8.8737 k = 0.0000 0.4333 0.0872 ( 4270 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5058 -9.5058 -9.5058 -9.5058 -6.1402 -6.1402 -6.1402 -6.1402 -0.5328 -0.5328 -0.5328 -0.5328 -0.0679 -0.0679 -0.0679 -0.0679 1.3458 1.3458 1.3458 1.3458 3.3022 3.3022 3.3022 3.3022 3.4334 3.4334 3.4334 3.4334 4.8773 4.8773 4.8773 4.8773 7.1405 7.1405 7.1405 7.1405 7.9604 7.9604 7.9604 7.9604 8.8734 8.8734 8.8734 8.8734 k = 0.0000 0.4333 0.0981 ( 4270 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5059 -9.5059 -9.5059 -9.5059 -6.1398 -6.1398 -6.1398 -6.1398 -0.5325 -0.5325 -0.5325 -0.5325 -0.0631 -0.0631 -0.0631 -0.0631 1.3320 1.3320 1.3320 1.3320 3.3083 3.3083 3.3083 3.3083 3.4336 3.4336 3.4336 3.4336 4.8830 4.8830 4.8830 4.8830 7.1470 7.1470 7.1470 7.1470 7.9509 7.9509 7.9509 7.9509 8.8732 8.8732 8.8732 8.8732 k = 0.0000 0.4333 0.1090 ( 4262 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5061 -9.5061 -9.5061 -9.5061 -6.1395 -6.1395 -6.1395 -6.1395 -0.5322 -0.5322 -0.5322 -0.5322 -0.0581 -0.0581 -0.0581 -0.0581 1.3178 1.3178 1.3179 1.3179 3.3145 3.3145 3.3145 3.3145 3.4340 3.4340 3.4340 3.4340 4.8889 4.8889 4.8889 4.8889 7.1539 7.1539 7.1539 7.1539 7.9409 7.9409 7.9409 7.9409 8.8729 8.8729 8.8729 8.8729 k = 0.0000 0.4333 0.1199 ( 4262 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5062 -9.5062 -9.5062 -9.5062 -6.1391 -6.1391 -6.1391 -6.1391 -0.5320 -0.5320 -0.5320 -0.5320 -0.0530 -0.0530 -0.0530 -0.0530 1.3037 1.3037 1.3038 1.3038 3.3204 3.3204 3.3204 3.3204 3.4343 3.4343 3.4343 3.4343 4.8949 4.8949 4.8949 4.8949 7.1610 7.1610 7.1610 7.1610 7.9307 7.9307 7.9307 7.9307 8.8726 8.8726 8.8726 8.8726 k = 0.0000 0.4333 0.1308 ( 4266 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5064 -9.5064 -9.5064 -9.5064 -6.1387 -6.1387 -6.1387 -6.1387 -0.5317 -0.5317 -0.5317 -0.5317 -0.0479 -0.0479 -0.0479 -0.0479 1.2900 1.2900 1.2900 1.2900 3.3261 3.3261 3.3261 3.3261 3.4347 3.4347 3.4347 3.4347 4.9007 4.9007 4.9007 4.9007 7.1682 7.1682 7.1682 7.1682 7.9205 7.9205 7.9205 7.9205 8.8724 8.8724 8.8724 8.8724 k = 0.0000 0.4333 0.1417 ( 4258 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5065 -9.5065 -9.5065 -9.5065 -6.1383 -6.1383 -6.1383 -6.1383 -0.5314 -0.5314 -0.5314 -0.5314 -0.0430 -0.0430 -0.0430 -0.0430 1.2769 1.2769 1.2769 1.2769 3.3313 3.3313 3.3313 3.3313 3.4352 3.4352 3.4352 3.4352 4.9063 4.9063 4.9063 4.9063 7.1752 7.1752 7.1752 7.1752 7.9105 7.9105 7.9105 7.9105 8.8722 8.8722 8.8722 8.8722 k = 0.0000 0.4333 0.1526 ( 4246 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5067 -9.5067 -9.5067 -9.5067 -6.1380 -6.1380 -6.1380 -6.1380 -0.5312 -0.5312 -0.5312 -0.5312 -0.0384 -0.0384 -0.0384 -0.0384 1.2649 1.2649 1.2649 1.2649 3.3360 3.3360 3.3361 3.3361 3.4356 3.4356 3.4356 3.4356 4.9114 4.9114 4.9114 4.9114 7.1819 7.1819 7.1819 7.1819 7.9011 7.9011 7.9011 7.9011 8.8720 8.8720 8.8720 8.8720 k = 0.0000 0.4333 0.1635 ( 4248 PWs) bands (ev): -14.4290 -14.4290 -14.4290 -14.4290 -9.5068 -9.5068 -9.5068 -9.5068 -6.1377 -6.1377 -6.1377 -6.1377 -0.5310 -0.5310 -0.5310 -0.5310 -0.0343 -0.0343 -0.0343 -0.0343 1.2541 1.2541 1.2541 1.2541 3.3401 3.3401 3.3401 3.3401 3.4360 3.4360 3.4360 3.4360 4.9160 4.9160 4.9160 4.9160 7.1881 7.1881 7.1881 7.1881 7.8925 7.8925 7.8925 7.8925 8.8718 8.8718 8.8718 8.8718 k = 0.0000 0.4333 0.1744 ( 4246 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5069 -9.5069 -9.5069 -9.5069 -6.1375 -6.1375 -6.1375 -6.1375 -0.5308 -0.5308 -0.5308 -0.5308 -0.0307 -0.0307 -0.0307 -0.0307 1.2450 1.2450 1.2450 1.2450 3.3435 3.3435 3.3436 3.3436 3.4364 3.4364 3.4364 3.4364 4.9200 4.9200 4.9200 4.9200 7.1935 7.1935 7.1935 7.1935 7.8850 7.8850 7.8850 7.8850 8.8717 8.8717 8.8717 8.8717 k = 0.0000 0.4333 0.1853 ( 4254 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5070 -9.5070 -9.5070 -9.5070 -6.1373 -6.1373 -6.1373 -6.1373 -0.5307 -0.5307 -0.5307 -0.5307 -0.0278 -0.0278 -0.0278 -0.0278 1.2376 1.2376 1.2376 1.2376 3.3462 3.3462 3.3462 3.3462 3.4368 3.4368 3.4368 3.4368 4.9232 4.9232 4.9232 4.9232 7.1980 7.1980 7.1980 7.1980 7.8788 7.8788 7.8788 7.8788 8.8716 8.8716 8.8716 8.8716 k = 0.0000 0.4333 0.1962 ( 4250 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5070 -9.5070 -9.5070 -9.5070 -6.1371 -6.1371 -6.1371 -6.1371 -0.5306 -0.5306 -0.5306 -0.5306 -0.0256 -0.0256 -0.0256 -0.0256 1.2321 1.2321 1.2321 1.2321 3.3482 3.3482 3.3482 3.3482 3.4371 3.4371 3.4371 3.4371 4.9255 4.9255 4.9255 4.9255 7.2013 7.2013 7.2013 7.2013 7.8742 7.8742 7.8743 7.8743 8.8715 8.8715 8.8715 8.8715 k = 0.0000 0.4333 0.2071 ( 4242 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5071 -9.5071 -9.5071 -9.5071 -6.1370 -6.1370 -6.1370 -6.1370 -0.5306 -0.5306 -0.5306 -0.5306 -0.0243 -0.0243 -0.0243 -0.0243 1.2288 1.2288 1.2288 1.2288 3.3493 3.3493 3.3494 3.3494 3.4372 3.4372 3.4372 3.4372 4.9269 4.9269 4.9269 4.9269 7.2034 7.2034 7.2034 7.2034 7.8714 7.8714 7.8714 7.8714 8.8715 8.8715 8.8715 8.8715 k = 0.0000 0.4333 0.2180 ( 4244 PWs) bands (ev): -14.4289 -14.4289 -14.4289 -14.4289 -9.5071 -9.5071 -9.5071 -9.5071 -6.1370 -6.1370 -6.1370 -6.1370 -0.5305 -0.5305 -0.5305 -0.5305 -0.0238 -0.0238 -0.0238 -0.0238 1.2277 1.2277 1.2277 1.2277 3.3497 3.3497 3.3497 3.3497 3.4373 3.4373 3.4373 3.4373 4.9274 4.9274 4.9274 4.9274 7.2041 7.2041 7.2041 7.2041 7.8705 7.8705 7.8705 7.8705 8.8715 8.8715 8.8715 8.8715 k = 0.5000-0.0000 0.2180 ( 4236 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4565 -8.4565 -8.4565 -8.4565 -7.0198 -7.0198 -7.0198 -7.0198 -1.6858 -1.6858 -1.6858 -1.6858 -1.3840 -1.3840 -1.3840 -1.3840 0.1344 0.1344 0.1344 0.1344 3.3458 3.3458 3.3458 3.3458 4.3200 4.3200 4.3200 4.3200 4.6075 4.6075 4.6075 4.6075 8.2903 8.2903 8.2903 8.2903 8.9519 8.9519 8.9519 8.9519 9.9932 9.9932 9.9932 9.9932 k = 0.5000-0.0000 0.2071 ( 4224 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4564 -8.4564 -8.4564 -8.4564 -7.0199 -7.0199 -7.0199 -7.0199 -1.6861 -1.6861 -1.6861 -1.6861 -1.3842 -1.3842 -1.3842 -1.3842 0.1357 0.1357 0.1357 0.1357 3.3436 3.3436 3.3436 3.3436 4.3200 4.3200 4.3200 4.3200 4.6085 4.6085 4.6085 4.6085 8.2911 8.2911 8.2911 8.2911 8.9525 8.9525 8.9525 8.9525 9.9917 9.9917 9.9917 9.9917 k = 0.5000-0.0000 0.1962 ( 4240 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4563 -8.4563 -8.4563 -8.4563 -7.0200 -7.0200 -7.0200 -7.0200 -1.6870 -1.6870 -1.6870 -1.6870 -1.3846 -1.3846 -1.3846 -1.3846 0.1396 0.1396 0.1396 0.1396 3.3371 3.3371 3.3371 3.3371 4.3201 4.3201 4.3201 4.3201 4.6115 4.6115 4.6115 4.6115 8.2935 8.2935 8.2935 8.2935 8.9543 8.9543 8.9543 8.9543 9.9869 9.9869 9.9869 9.9869 k = 0.5000-0.0000 0.1853 ( 4254 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4561 -8.4561 -8.4561 -8.4561 -7.0203 -7.0203 -7.0203 -7.0203 -1.6885 -1.6885 -1.6885 -1.6885 -1.3855 -1.3855 -1.3855 -1.3855 0.1460 0.1460 0.1460 0.1460 3.3265 3.3265 3.3265 3.3265 4.3203 4.3203 4.3203 4.3203 4.6164 4.6164 4.6164 4.6164 8.2973 8.2973 8.2973 8.2973 8.9574 8.9574 8.9574 8.9574 9.9790 9.9790 9.9790 9.9790 k = 0.5000-0.0000 0.1744 ( 4248 PWs) bands (ev): -14.1500 -14.1500 -14.1500 -14.1500 -8.4559 -8.4559 -8.4559 -8.4559 -7.0207 -7.0207 -7.0207 -7.0207 -1.6905 -1.6905 -1.6905 -1.6905 -1.3865 -1.3865 -1.3865 -1.3865 0.1547 0.1547 0.1547 0.1547 3.3121 3.3121 3.3121 3.3121 4.3205 4.3205 4.3205 4.3205 4.6229 4.6229 4.6229 4.6229 8.3026 8.3026 8.3026 8.3026 8.9617 8.9617 8.9617 8.9617 9.9682 9.9682 9.9682 9.9682 k = 0.5000-0.0000 0.1635 ( 4250 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4555 -8.4555 -8.4555 -8.4555 -7.0212 -7.0212 -7.0212 -7.0212 -1.6929 -1.6929 -1.6929 -1.6929 -1.3878 -1.3878 -1.3878 -1.3878 0.1656 0.1656 0.1656 0.1656 3.2944 3.2944 3.2944 3.2944 4.3207 4.3207 4.3207 4.3207 4.6309 4.6309 4.6309 4.6309 8.3090 8.3090 8.3090 8.3090 8.9673 8.9673 8.9673 8.9673 9.9545 9.9545 9.9545 9.9545 k = 0.5000-0.0000 0.1526 ( 4248 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4551 -8.4551 -8.4551 -8.4551 -7.0217 -7.0217 -7.0217 -7.0217 -1.6958 -1.6958 -1.6958 -1.6958 -1.3893 -1.3893 -1.3893 -1.3893 0.1783 0.1783 0.1783 0.1783 3.2739 3.2739 3.2739 3.2739 4.3210 4.3210 4.3210 4.3210 4.6400 4.6400 4.6400 4.6400 8.3165 8.3165 8.3165 8.3165 8.9743 8.9743 8.9743 8.9743 9.9381 9.9381 9.9381 9.9381 k = 0.5000-0.0000 0.1417 ( 4252 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4547 -8.4547 -8.4547 -8.4547 -7.0224 -7.0224 -7.0224 -7.0224 -1.6991 -1.6991 -1.6991 -1.6991 -1.3909 -1.3909 -1.3909 -1.3909 0.1927 0.1927 0.1927 0.1927 3.2510 3.2510 3.2510 3.2510 4.3213 4.3213 4.3213 4.3213 4.6498 4.6498 4.6498 4.6498 8.3248 8.3248 8.3248 8.3248 8.9828 8.9828 8.9828 8.9828 9.9194 9.9194 9.9194 9.9194 k = 0.5000-0.0000 0.1308 ( 4254 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4542 -8.4542 -8.4542 -8.4542 -7.0230 -7.0230 -7.0230 -7.0230 -1.7026 -1.7026 -1.7026 -1.7026 -1.3926 -1.3926 -1.3926 -1.3926 0.2083 0.2083 0.2083 0.2083 3.2265 3.2265 3.2265 3.2265 4.3216 4.3216 4.3216 4.3216 4.6602 4.6602 4.6602 4.6602 8.3337 8.3337 8.3337 8.3337 8.9926 8.9926 8.9926 8.9926 9.8985 9.8985 9.8985 9.8985 k = 0.5000-0.0000 0.1199 ( 4254 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4537 -8.4537 -8.4537 -8.4537 -7.0238 -7.0238 -7.0238 -7.0238 -1.7063 -1.7063 -1.7063 -1.7063 -1.3943 -1.3943 -1.3943 -1.3943 0.2248 0.2248 0.2248 0.2248 3.2009 3.2009 3.2009 3.2009 4.3220 4.3220 4.3220 4.3220 4.6707 4.6707 4.6707 4.6707 8.3428 8.3428 8.3428 8.3428 9.0039 9.0039 9.0039 9.0039 9.8758 9.8758 9.8758 9.8758 k = 0.5000-0.0000 0.1090 ( 4254 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4532 -8.4532 -8.4532 -8.4532 -7.0245 -7.0245 -7.0245 -7.0245 -1.7101 -1.7101 -1.7101 -1.7101 -1.3960 -1.3960 -1.3960 -1.3960 0.2418 0.2418 0.2418 0.2418 3.1749 3.1749 3.1749 3.1749 4.3223 4.3223 4.3223 4.3223 4.6812 4.6812 4.6812 4.6812 8.3520 8.3520 8.3520 8.3520 9.0165 9.0165 9.0165 9.0165 9.8516 9.8516 9.8516 9.8516 k = 0.5000-0.0000 0.0981 ( 4262 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4527 -8.4527 -8.4527 -8.4527 -7.0252 -7.0252 -7.0252 -7.0252 -1.7139 -1.7139 -1.7139 -1.7139 -1.3977 -1.3977 -1.3977 -1.3977 0.2589 0.2589 0.2589 0.2589 3.1490 3.1490 3.1490 3.1490 4.3227 4.3227 4.3227 4.3227 4.6913 4.6913 4.6913 4.6913 8.3610 8.3610 8.3610 8.3610 9.0303 9.0303 9.0303 9.0303 9.8264 9.8264 9.8264 9.8264 k = 0.5000-0.0000 0.0872 ( 4262 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4521 -8.4521 -8.4521 -8.4521 -7.0260 -7.0260 -7.0260 -7.0260 -1.7176 -1.7176 -1.7176 -1.7176 -1.3992 -1.3992 -1.3992 -1.3992 0.2757 0.2757 0.2757 0.2757 3.1240 3.1240 3.1240 3.1240 4.3230 4.3230 4.3230 4.3230 4.7009 4.7009 4.7009 4.7009 8.3696 8.3696 8.3696 8.3696 9.0452 9.0452 9.0452 9.0452 9.8007 9.8007 9.8007 9.8007 k = 0.5000-0.0000 0.0763 ( 4262 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4517 -8.4517 -8.4517 -8.4517 -7.0266 -7.0266 -7.0266 -7.0266 -1.7211 -1.7211 -1.7211 -1.7211 -1.4006 -1.4006 -1.4006 -1.4006 0.2918 0.2918 0.2918 0.2918 3.1002 3.1002 3.1002 3.1002 4.3234 4.3234 4.3234 4.3234 4.7098 4.7098 4.7098 4.7098 8.3776 8.3776 8.3776 8.3776 9.0608 9.0608 9.0608 9.0608 9.7751 9.7751 9.7751 9.7751 k = 0.5000-0.0000 0.0654 ( 4266 PWs) bands (ev): -14.1501 -14.1501 -14.1501 -14.1501 -8.4512 -8.4512 -8.4512 -8.4512 -7.0273 -7.0273 -7.0273 -7.0273 -1.7243 -1.7243 -1.7243 -1.7243 -1.4019 -1.4019 -1.4019 -1.4019 0.3067 0.3067 0.3067 0.3067 3.0784 3.0784 3.0784 3.0784 4.3237 4.3237 4.3237 4.3237 4.7178 4.7178 4.7178 4.7178 8.3848 8.3848 8.3848 8.3848 9.0766 9.0766 9.0766 9.0766 9.7501 9.7501 9.7501 9.7501 k = 0.5000-0.0000 0.0545 ( 4282 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4508 -8.4508 -8.4508 -8.4508 -7.0278 -7.0278 -7.0278 -7.0278 -1.7272 -1.7272 -1.7272 -1.7272 -1.4030 -1.4030 -1.4030 -1.4030 0.3200 0.3200 0.3200 0.3200 3.0590 3.0590 3.0590 3.0590 4.3239 4.3239 4.3239 4.3239 4.7247 4.7247 4.7247 4.7247 8.3910 8.3910 8.3910 8.3910 9.0921 9.0921 9.0921 9.0921 9.7266 9.7266 9.7266 9.7266 k = 0.5000-0.0000 0.0436 ( 4292 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4505 -8.4505 -8.4505 -8.4505 -7.0283 -7.0283 -7.0283 -7.0283 -1.7296 -1.7296 -1.7296 -1.7296 -1.4039 -1.4039 -1.4039 -1.4039 0.3315 0.3315 0.3315 0.3315 3.0425 3.0425 3.0425 3.0425 4.3241 4.3241 4.3241 4.3241 4.7305 4.7305 4.7305 4.7305 8.3962 8.3962 8.3962 8.3962 9.1066 9.1066 9.1066 9.1066 9.7054 9.7054 9.7054 9.7054 k = 0.5000-0.0000 0.0327 ( 4298 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4502 -8.4502 -8.4502 -8.4502 -7.0287 -7.0287 -7.0287 -7.0287 -1.7316 -1.7316 -1.7316 -1.7316 -1.4046 -1.4046 -1.4046 -1.4046 0.3408 0.3408 0.3408 0.3408 3.0292 3.0292 3.0292 3.0292 4.3243 4.3243 4.3243 4.3243 4.7351 4.7351 4.7351 4.7351 8.4004 8.4004 8.4004 8.4004 9.1193 9.1193 9.1193 9.1193 9.6875 9.6875 9.6875 9.6875 k = 0.5000-0.0000 0.0218 ( 4294 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4500 -8.4500 -8.4500 -8.4500 -7.0290 -7.0290 -7.0290 -7.0290 -1.7331 -1.7331 -1.7331 -1.7331 -1.4051 -1.4051 -1.4051 -1.4051 0.3476 0.3476 0.3476 0.3476 3.0195 3.0195 3.0195 3.0195 4.3245 4.3245 4.3245 4.3245 4.7384 4.7384 4.7384 4.7384 8.4034 8.4034 8.4034 8.4034 9.1292 9.1292 9.1292 9.1292 9.6737 9.6737 9.6737 9.6737 k = 0.5000-0.0000 0.0109 ( 4298 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4499 -8.4499 -8.4499 -8.4499 -7.0292 -7.0292 -7.0292 -7.0292 -1.7339 -1.7339 -1.7339 -1.7339 -1.4054 -1.4054 -1.4054 -1.4054 0.3518 0.3518 0.3518 0.3518 3.0136 3.0136 3.0136 3.0136 4.3245 4.3245 4.3245 4.3245 4.7405 4.7405 4.7405 4.7405 8.4052 8.4052 8.4052 8.4052 9.1355 9.1355 9.1355 9.1355 9.6651 9.6651 9.6651 9.6651 k = 0.5000-0.0000-0.0000 ( 4298 PWs) bands (ev): -14.1502 -14.1502 -14.1502 -14.1502 -8.4499 -8.4499 -8.4499 -8.4499 -7.0292 -7.0292 -7.0292 -7.0292 -1.7342 -1.7342 -1.7342 -1.7342 -1.4055 -1.4055 -1.4055 -1.4055 0.3532 0.3532 0.3532 0.3532 3.0116 3.0116 3.0116 3.0116 4.3246 4.3246 4.3246 4.3246 4.7411 4.7411 4.7411 4.7411 8.4058 8.4058 8.4058 8.4058 9.1377 9.1377 9.1377 9.1377 9.6621 9.6621 9.6621 9.6621 k = 0.5000 0.4333-0.0000 ( 4244 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2680 -1.2680 -1.2680 -1.2680 -0.8828 -0.8828 -0.8828 -0.8828 2.4670 2.4670 2.4670 2.4670 2.8320 2.8320 2.8320 2.8320 3.4724 3.4724 3.4724 3.4724 4.8899 4.8899 4.8899 4.8899 6.1690 6.1690 6.1690 6.1690 9.7598 9.7598 9.7598 9.7598 10.3008 10.3008 10.3008 10.3008 k = 0.5000 0.4333 0.0109 ( 4236 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2680 -1.2680 -1.2680 -1.2680 -0.8827 -0.8827 -0.8827 -0.8827 2.4671 2.4671 2.4671 2.4671 2.8314 2.8314 2.8314 2.8314 3.4734 3.4734 3.4734 3.4734 4.8884 4.8884 4.8884 4.8884 6.1702 6.1702 6.1702 6.1702 9.7593 9.7593 9.7593 9.7593 10.3002 10.3002 10.3002 10.3002 k = 0.5000 0.4333 0.0218 ( 4224 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2681 -1.2681 -1.2681 -1.2681 -0.8824 -0.8824 -0.8824 -0.8824 2.4675 2.4675 2.4675 2.4675 2.8295 2.8295 2.8295 2.8295 3.4764 3.4764 3.4764 3.4764 4.8838 4.8838 4.8838 4.8838 6.1735 6.1735 6.1735 6.1735 9.7579 9.7579 9.7579 9.7579 10.2984 10.2984 10.2984 10.2984 k = 0.5000 0.4333 0.0327 ( 4224 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2683 -1.2683 -1.2683 -1.2683 -0.8819 -0.8819 -0.8819 -0.8819 2.4680 2.4680 2.4680 2.4680 2.8264 2.8264 2.8264 2.8264 3.4813 3.4813 3.4813 3.4813 4.8763 4.8763 4.8763 4.8763 6.1791 6.1791 6.1791 6.1791 9.7555 9.7555 9.7555 9.7555 10.2955 10.2955 10.2955 10.2955 k = 0.5000 0.4333 0.0436 ( 4212 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3755 -8.3755 -8.3755 -8.3755 -1.2685 -1.2685 -1.2685 -1.2685 -0.8812 -0.8812 -0.8812 -0.8812 2.4686 2.4686 2.4686 2.4686 2.8222 2.8222 2.8222 2.8222 3.4880 3.4880 3.4880 3.4880 4.8660 4.8660 4.8660 4.8660 6.1866 6.1866 6.1866 6.1866 9.7521 9.7521 9.7521 9.7521 10.2916 10.2916 10.2916 10.2916 k = 0.5000 0.4333 0.0545 ( 4212 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3756 -8.3756 -8.3756 -8.3756 -1.2687 -1.2687 -1.2687 -1.2687 -0.8803 -0.8803 -0.8803 -0.8803 2.4695 2.4695 2.4695 2.4695 2.8170 2.8170 2.8170 2.8170 3.4966 3.4966 3.4966 3.4966 4.8530 4.8530 4.8530 4.8530 6.1960 6.1960 6.1960 6.1960 9.7477 9.7477 9.7477 9.7477 10.2870 10.2870 10.2870 10.2870 k = 0.5000 0.4333 0.0654 ( 4216 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3756 -8.3756 -8.3756 -8.3756 -1.2690 -1.2690 -1.2690 -1.2690 -0.8793 -0.8793 -0.8793 -0.8793 2.4705 2.4705 2.4705 2.4705 2.8109 2.8109 2.8109 2.8109 3.5068 3.5068 3.5068 3.5068 4.8376 4.8376 4.8376 4.8376 6.2070 6.2070 6.2070 6.2070 9.7423 9.7423 9.7423 9.7423 10.2818 10.2818 10.2818 10.2818 k = 0.5000 0.4333 0.0763 ( 4232 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3757 -8.3757 -8.3757 -8.3757 -1.2694 -1.2694 -1.2694 -1.2694 -0.8782 -0.8782 -0.8782 -0.8782 2.4716 2.4716 2.4716 2.4716 2.8041 2.8041 2.8041 2.8041 3.5185 3.5185 3.5185 3.5185 4.8202 4.8202 4.8202 4.8202 6.2194 6.2194 6.2194 6.2194 9.7360 9.7360 9.7360 9.7360 10.2762 10.2762 10.2762 10.2762 k = 0.5000 0.4333 0.0872 ( 4228 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3757 -8.3757 -8.3757 -8.3757 -1.2698 -1.2698 -1.2698 -1.2698 -0.8769 -0.8769 -0.8769 -0.8769 2.4727 2.4727 2.4727 2.4727 2.7967 2.7967 2.7967 2.7967 3.5316 3.5316 3.5316 3.5316 4.8009 4.8009 4.8009 4.8009 6.2328 6.2328 6.2328 6.2328 9.7289 9.7289 9.7289 9.7289 10.2706 10.2706 10.2706 10.2706 k = 0.5000 0.4333 0.0981 ( 4232 PWs) bands (ev): -13.7400 -13.7400 -13.7400 -13.7400 -8.6821 -8.6821 -8.6821 -8.6821 -8.3758 -8.3758 -8.3758 -8.3758 -1.2701 -1.2701 -1.2701 -1.2701 -0.8756 -0.8756 -0.8756 -0.8756 2.4739 2.4739 2.4739 2.4739 2.7890 2.7890 2.7890 2.7890 3.5458 3.5458 3.5458 3.5458 4.7802 4.7802 4.7802 4.7802 6.2470 6.2470 6.2470 6.2470 9.7210 9.7210 9.7210 9.7210 10.2651 10.2651 10.2651 10.2651 k = 0.5000 0.4333 0.1090 ( 4232 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6821 -8.6821 -8.6821 -8.6821 -8.3759 -8.3759 -8.3759 -8.3759 -1.2706 -1.2706 -1.2706 -1.2706 -0.8743 -0.8743 -0.8743 -0.8743 2.4752 2.4752 2.4752 2.4752 2.7812 2.7812 2.7812 2.7812 3.5608 3.5608 3.5608 3.5608 4.7586 4.7586 4.7586 4.7586 6.2615 6.2615 6.2615 6.2615 9.7124 9.7124 9.7124 9.7124 10.2598 10.2598 10.2598 10.2598 k = 0.5000 0.4333 0.1199 ( 4244 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3759 -8.3759 -8.3759 -8.3759 -1.2710 -1.2710 -1.2710 -1.2710 -0.8729 -0.8729 -0.8729 -0.8729 2.4764 2.4764 2.4764 2.4764 2.7733 2.7733 2.7733 2.7733 3.5764 3.5764 3.5764 3.5764 4.7364 4.7364 4.7364 4.7364 6.2760 6.2760 6.2760 6.2760 9.7035 9.7035 9.7035 9.7035 10.2549 10.2549 10.2549 10.2549 k = 0.5000 0.4333 0.1308 ( 4240 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3760 -8.3760 -8.3760 -8.3760 -1.2714 -1.2714 -1.2714 -1.2714 -0.8716 -0.8716 -0.8716 -0.8716 2.4775 2.4775 2.4775 2.4775 2.7658 2.7658 2.7658 2.7658 3.5922 3.5922 3.5922 3.5922 4.7142 4.7142 4.7142 4.7142 6.2903 6.2903 6.2903 6.2903 9.6945 9.6945 9.6945 9.6945 10.2505 10.2505 10.2505 10.2505 k = 0.5000 0.4333 0.1417 ( 4248 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3760 -8.3760 -8.3760 -8.3760 -1.2718 -1.2718 -1.2718 -1.2718 -0.8703 -0.8703 -0.8703 -0.8703 2.4786 2.4786 2.4786 2.4786 2.7586 2.7586 2.7586 2.7586 3.6078 3.6078 3.6078 3.6078 4.6926 4.6926 4.6926 4.6926 6.3038 6.3038 6.3038 6.3038 9.6856 9.6856 9.6856 9.6856 10.2466 10.2466 10.2466 10.2466 k = 0.5000 0.4333 0.1526 ( 4244 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3761 -8.3761 -8.3761 -8.3761 -1.2721 -1.2721 -1.2721 -1.2721 -0.8692 -0.8692 -0.8692 -0.8692 2.4797 2.4797 2.4797 2.4797 2.7520 2.7520 2.7520 2.7520 3.6228 3.6228 3.6228 3.6228 4.6722 4.6722 4.6722 4.6722 6.3164 6.3164 6.3164 6.3164 9.6771 9.6771 9.6771 9.6771 10.2433 10.2433 10.2433 10.2433 k = 0.5000 0.4333 0.1635 ( 4236 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3761 -8.3761 -8.3761 -8.3761 -1.2724 -1.2724 -1.2724 -1.2724 -0.8681 -0.8681 -0.8681 -0.8681 2.4805 2.4805 2.4805 2.4805 2.7461 2.7461 2.7461 2.7461 3.6366 3.6366 3.6366 3.6366 4.6534 4.6534 4.6534 4.6534 6.3276 6.3276 6.3276 6.3276 9.6693 9.6693 9.6693 9.6693 10.2405 10.2405 10.2405 10.2405 k = 0.5000 0.4333 0.1744 ( 4240 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3762 -8.3762 -8.3762 -8.3762 -1.2727 -1.2727 -1.2727 -1.2727 -0.8672 -0.8672 -0.8672 -0.8672 2.4813 2.4813 2.4813 2.4813 2.7412 2.7412 2.7412 2.7412 3.6488 3.6488 3.6488 3.6488 4.6370 4.6370 4.6370 4.6370 6.3372 6.3372 6.3372 6.3372 9.6625 9.6625 9.6625 9.6625 10.2383 10.2383 10.2383 10.2383 k = 0.5000 0.4333 0.1853 ( 4248 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3762 -8.3762 -8.3762 -8.3762 -1.2729 -1.2729 -1.2729 -1.2729 -0.8665 -0.8665 -0.8665 -0.8665 2.4819 2.4819 2.4819 2.4819 2.7371 2.7371 2.7371 2.7371 3.6589 3.6589 3.6589 3.6589 4.6236 4.6236 4.6236 4.6236 6.3449 6.3449 6.3449 6.3449 9.6569 9.6569 9.6569 9.6569 10.2366 10.2366 10.2366 10.2366 k = 0.5000 0.4333 0.1962 ( 4252 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3763 -8.3763 -8.3763 -8.3763 -1.2731 -1.2731 -1.2731 -1.2731 -0.8660 -0.8660 -0.8660 -0.8660 2.4823 2.4823 2.4823 2.4823 2.7342 2.7342 2.7342 2.7342 3.6665 3.6665 3.6665 3.6665 4.6135 4.6135 4.6135 4.6135 6.3506 6.3506 6.3506 6.3506 9.6527 9.6527 9.6527 9.6527 10.2354 10.2354 10.2354 10.2354 k = 0.5000 0.4333 0.2071 ( 4260 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3763 -8.3763 -8.3763 -8.3763 -1.2732 -1.2732 -1.2732 -1.2732 -0.8656 -0.8656 -0.8656 -0.8656 2.4826 2.4826 2.4826 2.4826 2.7324 2.7324 2.7324 2.7324 3.6712 3.6712 3.6712 3.6712 4.6073 4.6073 4.6073 4.6073 6.3540 6.3540 6.3540 6.3540 9.6502 9.6502 9.6502 9.6502 10.2347 10.2347 10.2347 10.2347 k = 0.5000 0.4333 0.2180 ( 4264 PWs) bands (ev): -13.7399 -13.7399 -13.7399 -13.7399 -8.6820 -8.6820 -8.6820 -8.6820 -8.3763 -8.3763 -8.3763 -8.3763 -1.2732 -1.2732 -1.2732 -1.2732 -0.8655 -0.8655 -0.8655 -0.8655 2.4827 2.4827 2.4827 2.4827 2.7318 2.7318 2.7318 2.7318 3.6728 3.6728 3.6728 3.6728 4.6052 4.6052 4.6052 4.6052 6.3552 6.3552 6.3552 6.3552 9.6493 9.6493 9.6493 9.6493 10.2345 10.2345 10.2345 10.2345 Writing output data file IClO.save init_run : 0.91s CPU 0.53s WALL ( 1 calls) electrons : 307.16s CPU 203.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 307.15s CPU 203.18s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.29s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.23s CPU 0.38s WALL ( 428 calls) cegterg : 271.70s CPU 181.84s WALL ( 428 calls) Called by sum_band: Called by *egterg: h_psi : 160.00s CPU 104.02s WALL ( 5743 calls) s_psi : 11.02s CPU 6.66s WALL ( 5743 calls) g_psi : 0.25s CPU 0.15s WALL ( 4887 calls) cdiaghg : 101.62s CPU 69.49s WALL ( 5315 calls) cegterg:over : 12.90s CPU 8.25s WALL ( 4887 calls) cegterg:upda : 6.33s CPU 4.19s WALL ( 4887 calls) cegterg:last : 4.34s CPU 2.98s WALL ( 1284 calls) cdiaghg:chol : 4.17s CPU 2.92s WALL ( 5315 calls) cdiaghg:inve : 2.10s CPU 1.41s WALL ( 5315 calls) cdiaghg:para : 4.81s CPU 3.55s WALL ( 10630 calls) Called by h_psi: h_psi:vloc : 133.58s CPU 87.76s WALL ( 5743 calls) h_psi:vnl : 26.19s CPU 16.13s WALL ( 5743 calls) add_vuspsi : 15.83s CPU 9.43s WALL ( 5743 calls) General routines calbec : 10.33s CPU 6.68s WALL ( 5743 calls) fft : 0.08s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 128.58s CPU 84.45s WALL ( 819436 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.36s CPU 0.62s WALL ( 856 calls) Parallel routines fft_scatter : 75.02s CPU 49.58s WALL ( 819459 calls) PWSCF : 5m40.45s CPU 4m10.00s WALL This run was terminated on: 0:28:45 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=