Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:45:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuAs2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 24 7 1131 768 125 Max 32 25 8 1138 781 130 Sum 1149 891 259 40837 27917 4559 bravais-lattice index = 14 lattice parameter (alat) = 6.6840 a.u. unit-cell volume = 661.8430 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.683961 celldm(2)= 1.353972 celldm(3)= 1.636980 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 1.353972 0.000000 ) a(3) = ( 0.000000 0.000000 1.636980 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.738568 -0.000000 ) b(3) = ( 0.000000 0.000000 0.610881 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 As 5.00 74.92160 As( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found (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 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 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 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0022936 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0022936 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0022936 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0022936 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0022936 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0022936 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022936 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0022936 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0022936 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0022936 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0022936 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0022936 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022936 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0022936 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0022936 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0022936 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0022936 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0022936 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022936 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0022936 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0022936 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 48) = ( 0.5000000 0.0111904 -0.0000000), wk = 0.0022936 k( 49) = ( 0.5000000 0.0223808 -0.0000000), wk = 0.0022936 k( 50) = ( 0.5000000 0.0335713 -0.0000000), wk = 0.0022936 k( 51) = ( 0.5000000 0.0447617 -0.0000000), wk = 0.0022936 k( 52) = ( 0.5000000 0.0559521 -0.0000000), wk = 0.0022936 k( 53) = ( 0.5000000 0.0671425 -0.0000000), wk = 0.0022936 k( 54) = ( 0.5000000 0.0783329 -0.0000000), wk = 0.0022936 k( 55) = ( 0.5000000 0.0895233 -0.0000000), wk = 0.0022936 k( 56) = ( 0.5000000 0.1007138 -0.0000000), wk = 0.0022936 k( 57) = ( 0.5000000 0.1119042 -0.0000000), wk = 0.0022936 k( 58) = ( 0.5000000 0.1230946 -0.0000000), wk = 0.0022936 k( 59) = ( 0.5000000 0.1342850 -0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 0.1454754 -0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 0.1566658 -0.0000000), wk = 0.0022936 k( 62) = ( 0.5000000 0.1678563 -0.0000000), wk = 0.0022936 k( 63) = ( 0.5000000 0.1790467 -0.0000000), wk = 0.0022936 k( 64) = ( 0.5000000 0.1902371 -0.0000000), wk = 0.0022936 k( 65) = ( 0.5000000 0.2014275 -0.0000000), wk = 0.0022936 k( 66) = ( 0.5000000 0.2126179 -0.0000000), wk = 0.0022936 k( 67) = ( 0.5000000 0.2238083 -0.0000000), wk = 0.0022936 k( 68) = ( 0.5000000 0.2349988 -0.0000000), wk = 0.0022936 k( 69) = ( 0.5000000 0.2461892 -0.0000000), wk = 0.0022936 k( 70) = ( 0.5000000 0.2573796 -0.0000000), wk = 0.0022936 k( 71) = ( 0.5000000 0.2685700 -0.0000000), wk = 0.0022936 k( 72) = ( 0.5000000 0.2797604 -0.0000000), wk = 0.0022936 k( 73) = ( 0.5000000 0.2909509 -0.0000000), wk = 0.0022936 k( 74) = ( 0.5000000 0.3021413 -0.0000000), wk = 0.0022936 k( 75) = ( 0.5000000 0.3133317 -0.0000000), wk = 0.0022936 k( 76) = ( 0.5000000 0.3245221 -0.0000000), wk = 0.0022936 k( 77) = ( 0.5000000 0.3357125 -0.0000000), wk = 0.0022936 k( 78) = ( 0.5000000 0.3469029 -0.0000000), wk = 0.0022936 k( 79) = ( 0.5000000 0.3580934 -0.0000000), wk = 0.0022936 k( 80) = ( 0.5000000 0.3692838 -0.0000000), wk = 0.0022936 k( 81) = ( 0.5000000 0.3692838 -0.0000000), wk = 0.0022936 k( 82) = ( 0.4888889 0.3692838 -0.0000000), wk = 0.0022936 k( 83) = ( 0.4777778 0.3692838 -0.0000000), wk = 0.0022936 k( 84) = ( 0.4666667 0.3692838 -0.0000000), wk = 0.0022936 k( 85) = ( 0.4555556 0.3692838 -0.0000000), wk = 0.0022936 k( 86) = ( 0.4444444 0.3692838 -0.0000000), wk = 0.0022936 k( 87) = ( 0.4333333 0.3692838 -0.0000000), wk = 0.0022936 k( 88) = ( 0.4222222 0.3692838 -0.0000000), wk = 0.0022936 k( 89) = ( 0.4111111 0.3692838 -0.0000000), wk = 0.0022936 k( 90) = ( 0.4000000 0.3692838 -0.0000000), wk = 0.0022936 k( 91) = ( 0.3888889 0.3692838 -0.0000000), wk = 0.0022936 k( 92) = ( 0.3777778 0.3692838 -0.0000000), wk = 0.0022936 k( 93) = ( 0.3666667 0.3692838 -0.0000000), wk = 0.0022936 k( 94) = ( 0.3555556 0.3692838 -0.0000000), wk = 0.0022936 k( 95) = ( 0.3444444 0.3692838 -0.0000000), wk = 0.0022936 k( 96) = ( 0.3333333 0.3692838 -0.0000000), wk = 0.0022936 k( 97) = ( 0.3222222 0.3692838 -0.0000000), wk = 0.0022936 k( 98) = ( 0.3111111 0.3692838 -0.0000000), wk = 0.0022936 k( 99) = ( 0.3000000 0.3692838 -0.0000000), wk = 0.0022936 k( 100) = ( 0.2888889 0.3692838 -0.0000000), wk = 0.0022936 k( 101) = ( 0.2777778 0.3692838 -0.0000000), wk = 0.0022936 k( 102) = ( 0.2666667 0.3692838 -0.0000000), wk = 0.0022936 k( 103) = ( 0.2555556 0.3692838 -0.0000000), wk = 0.0022936 k( 104) = ( 0.2444444 0.3692838 -0.0000000), wk = 0.0022936 k( 105) = ( 0.2333333 0.3692838 -0.0000000), wk = 0.0022936 k( 106) = ( 0.2222222 0.3692838 -0.0000000), wk = 0.0022936 k( 107) = ( 0.2111111 0.3692838 -0.0000000), wk = 0.0022936 k( 108) = ( 0.2000000 0.3692838 -0.0000000), wk = 0.0022936 k( 109) = ( 0.1888889 0.3692838 -0.0000000), wk = 0.0022936 k( 110) = ( 0.1777778 0.3692838 -0.0000000), wk = 0.0022936 k( 111) = ( 0.1666667 0.3692838 -0.0000000), wk = 0.0022936 k( 112) = ( 0.1555556 0.3692838 -0.0000000), wk = 0.0022936 k( 113) = ( 0.1444444 0.3692838 -0.0000000), wk = 0.0022936 k( 114) = ( 0.1333333 0.3692838 -0.0000000), wk = 0.0022936 k( 115) = ( 0.1222222 0.3692838 -0.0000000), wk = 0.0022936 k( 116) = ( 0.1111111 0.3692838 -0.0000000), wk = 0.0022936 k( 117) = ( 0.1000000 0.3692838 -0.0000000), wk = 0.0022936 k( 118) = ( 0.0888889 0.3692838 -0.0000000), wk = 0.0022936 k( 119) = ( 0.0777778 0.3692838 -0.0000000), wk = 0.0022936 k( 120) = ( 0.0666667 0.3692838 -0.0000000), wk = 0.0022936 k( 121) = ( 0.0555556 0.3692838 -0.0000000), wk = 0.0022936 k( 122) = ( 0.0444444 0.3692838 -0.0000000), wk = 0.0022936 k( 123) = ( 0.0333333 0.3692838 -0.0000000), wk = 0.0022936 k( 124) = ( 0.0222222 0.3692838 -0.0000000), wk = 0.0022936 k( 125) = ( 0.0111111 0.3692838 -0.0000000), wk = 0.0022936 k( 126) = ( 0.0000000 0.3692838 -0.0000000), wk = 0.0022936 k( 127) = ( 0.0000000 0.3692838 -0.0000000), wk = 0.0022936 k( 128) = ( 0.0000000 0.3580934 -0.0000000), wk = 0.0022936 k( 129) = ( 0.0000000 0.3469029 -0.0000000), wk = 0.0022936 k( 130) = ( 0.0000000 0.3357125 -0.0000000), wk = 0.0022936 k( 131) = ( 0.0000000 0.3245221 -0.0000000), wk = 0.0022936 k( 132) = ( 0.0000000 0.3133317 -0.0000000), wk = 0.0022936 k( 133) = ( 0.0000000 0.3021413 -0.0000000), wk = 0.0022936 k( 134) = ( 0.0000000 0.2909509 -0.0000000), wk = 0.0022936 k( 135) = ( 0.0000000 0.2797604 -0.0000000), wk = 0.0022936 k( 136) = ( 0.0000000 0.2685700 -0.0000000), wk = 0.0022936 k( 137) = ( 0.0000000 0.2573796 -0.0000000), wk = 0.0022936 k( 138) = ( 0.0000000 0.2461892 -0.0000000), wk = 0.0022936 k( 139) = ( 0.0000000 0.2349988 -0.0000000), wk = 0.0022936 k( 140) = ( 0.0000000 0.2238083 -0.0000000), wk = 0.0022936 k( 141) = ( 0.0000000 0.2126179 -0.0000000), wk = 0.0022936 k( 142) = ( 0.0000000 0.2014275 -0.0000000), wk = 0.0022936 k( 143) = ( 0.0000000 0.1902371 -0.0000000), wk = 0.0022936 k( 144) = ( 0.0000000 0.1790467 -0.0000000), wk = 0.0022936 k( 145) = ( 0.0000000 0.1678563 -0.0000000), wk = 0.0022936 k( 146) = ( 0.0000000 0.1566658 -0.0000000), wk = 0.0022936 k( 147) = ( 0.0000000 0.1454754 -0.0000000), wk = 0.0022936 k( 148) = ( 0.0000000 0.1342850 -0.0000000), wk = 0.0022936 k( 149) = ( 0.0000000 0.1230946 -0.0000000), wk = 0.0022936 k( 150) = ( 0.0000000 0.1119042 -0.0000000), wk = 0.0022936 k( 151) = ( 0.0000000 0.1007138 -0.0000000), wk = 0.0022936 k( 152) = ( 0.0000000 0.0895233 -0.0000000), wk = 0.0022936 k( 153) = ( 0.0000000 0.0783329 -0.0000000), wk = 0.0022936 k( 154) = ( 0.0000000 0.0671425 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0000000 0.0559521 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0000000 0.0447617 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0000000 0.0335713 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0000000 0.0223808 -0.0000000), wk = 0.0022936 k( 159) = ( 0.0000000 0.0111904 -0.0000000), wk = 0.0022936 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 162) = ( 0.0000000 0.0000000 0.0109086), wk = 0.0022936 k( 163) = ( 0.0000000 0.0000000 0.0218172), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0327258), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.0436343), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.0545429), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0654515), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.0763601), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.0872687), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.0981773), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.1090859), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.1199944), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.1309030), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.1418116), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.1527202), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.1636288), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.1745374), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.1854460), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.1963546), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.2072631), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.2181717), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.2290803), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.2399889), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.2508975), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.2618061), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.2727147), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.2836232), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.2945318), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.3054404), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.3054404), wk = 0.0022936 k( 191) = ( 0.0111111 -0.0000000 0.3054404), wk = 0.0022936 k( 192) = ( 0.0222222 -0.0000000 0.3054404), wk = 0.0022936 k( 193) = ( 0.0333333 -0.0000000 0.3054404), wk = 0.0022936 k( 194) = ( 0.0444444 -0.0000000 0.3054404), wk = 0.0022936 k( 195) = ( 0.0555556 -0.0000000 0.3054404), wk = 0.0022936 k( 196) = ( 0.0666667 -0.0000000 0.3054404), wk = 0.0022936 k( 197) = ( 0.0777778 -0.0000000 0.3054404), wk = 0.0022936 k( 198) = ( 0.0888889 -0.0000000 0.3054404), wk = 0.0022936 k( 199) = ( 0.1000000 -0.0000000 0.3054404), wk = 0.0022936 k( 200) = ( 0.1111111 -0.0000000 0.3054404), wk = 0.0022936 k( 201) = ( 0.1222222 -0.0000000 0.3054404), wk = 0.0022936 k( 202) = ( 0.1333333 -0.0000000 0.3054404), wk = 0.0022936 k( 203) = ( 0.1444444 -0.0000000 0.3054404), wk = 0.0022936 k( 204) = ( 0.1555556 -0.0000000 0.3054404), wk = 0.0022936 k( 205) = ( 0.1666667 -0.0000000 0.3054404), wk = 0.0022936 k( 206) = ( 0.1777778 -0.0000000 0.3054404), wk = 0.0022936 k( 207) = ( 0.1888889 -0.0000000 0.3054404), wk = 0.0022936 k( 208) = ( 0.2000000 -0.0000000 0.3054404), wk = 0.0022936 k( 209) = ( 0.2111111 -0.0000000 0.3054404), wk = 0.0022936 k( 210) = ( 0.2222222 -0.0000000 0.3054404), wk = 0.0022936 k( 211) = ( 0.2333333 -0.0000000 0.3054404), wk = 0.0022936 k( 212) = ( 0.2444444 -0.0000000 0.3054404), wk = 0.0022936 k( 213) = ( 0.2555556 -0.0000000 0.3054404), wk = 0.0022936 k( 214) = ( 0.2666667 -0.0000000 0.3054404), wk = 0.0022936 k( 215) = ( 0.2777778 -0.0000000 0.3054404), wk = 0.0022936 k( 216) = ( 0.2888889 -0.0000000 0.3054404), wk = 0.0022936 k( 217) = ( 0.3000000 -0.0000000 0.3054404), wk = 0.0022936 k( 218) = ( 0.3111111 -0.0000000 0.3054404), wk = 0.0022936 k( 219) = ( 0.3222222 -0.0000000 0.3054404), wk = 0.0022936 k( 220) = ( 0.3333333 -0.0000000 0.3054404), wk = 0.0022936 k( 221) = ( 0.3444444 -0.0000000 0.3054404), wk = 0.0022936 k( 222) = ( 0.3555556 -0.0000000 0.3054404), wk = 0.0022936 k( 223) = ( 0.3666667 -0.0000000 0.3054404), wk = 0.0022936 k( 224) = ( 0.3777778 -0.0000000 0.3054404), wk = 0.0022936 k( 225) = ( 0.3888889 -0.0000000 0.3054404), wk = 0.0022936 k( 226) = ( 0.4000000 -0.0000000 0.3054404), wk = 0.0022936 k( 227) = ( 0.4111111 -0.0000000 0.3054404), wk = 0.0022936 k( 228) = ( 0.4222222 -0.0000000 0.3054404), wk = 0.0022936 k( 229) = ( 0.4333333 -0.0000000 0.3054404), wk = 0.0022936 k( 230) = ( 0.4444444 -0.0000000 0.3054404), wk = 0.0022936 k( 231) = ( 0.4555556 -0.0000000 0.3054404), wk = 0.0022936 k( 232) = ( 0.4666667 -0.0000000 0.3054404), wk = 0.0022936 k( 233) = ( 0.4777778 -0.0000000 0.3054404), wk = 0.0022936 k( 234) = ( 0.4888889 -0.0000000 0.3054404), wk = 0.0022936 k( 235) = ( 0.5000000 -0.0000000 0.3054404), wk = 0.0022936 k( 236) = ( 0.5000000 -0.0000000 0.3054404), wk = 0.0022936 k( 237) = ( 0.5000000 0.0111904 0.3054404), wk = 0.0022936 k( 238) = ( 0.5000000 0.0223808 0.3054404), wk = 0.0022936 k( 239) = ( 0.5000000 0.0335713 0.3054404), wk = 0.0022936 k( 240) = ( 0.5000000 0.0447617 0.3054404), wk = 0.0022936 k( 241) = ( 0.5000000 0.0559521 0.3054404), wk = 0.0022936 k( 242) = ( 0.5000000 0.0671425 0.3054404), wk = 0.0022936 k( 243) = ( 0.5000000 0.0783329 0.3054404), wk = 0.0022936 k( 244) = ( 0.5000000 0.0895233 0.3054404), wk = 0.0022936 k( 245) = ( 0.5000000 0.1007138 0.3054404), wk = 0.0022936 k( 246) = ( 0.5000000 0.1119042 0.3054404), wk = 0.0022936 k( 247) = ( 0.5000000 0.1230946 0.3054404), wk = 0.0022936 k( 248) = ( 0.5000000 0.1342850 0.3054404), wk = 0.0022936 k( 249) = ( 0.5000000 0.1454754 0.3054404), wk = 0.0022936 k( 250) = ( 0.5000000 0.1566658 0.3054404), wk = 0.0022936 k( 251) = ( 0.5000000 0.1678563 0.3054404), wk = 0.0022936 k( 252) = ( 0.5000000 0.1790467 0.3054404), wk = 0.0022936 k( 253) = ( 0.5000000 0.1902371 0.3054404), wk = 0.0022936 k( 254) = ( 0.5000000 0.2014275 0.3054404), wk = 0.0022936 k( 255) = ( 0.5000000 0.2126179 0.3054404), wk = 0.0022936 k( 256) = ( 0.5000000 0.2238083 0.3054404), wk = 0.0022936 k( 257) = ( 0.5000000 0.2349988 0.3054404), wk = 0.0022936 k( 258) = ( 0.5000000 0.2461892 0.3054404), wk = 0.0022936 k( 259) = ( 0.5000000 0.2573796 0.3054404), wk = 0.0022936 k( 260) = ( 0.5000000 0.2685700 0.3054404), wk = 0.0022936 k( 261) = ( 0.5000000 0.2797604 0.3054404), wk = 0.0022936 k( 262) = ( 0.5000000 0.2909509 0.3054404), wk = 0.0022936 k( 263) = ( 0.5000000 0.3021413 0.3054404), wk = 0.0022936 k( 264) = ( 0.5000000 0.3133317 0.3054404), wk = 0.0022936 k( 265) = ( 0.5000000 0.3245221 0.3054404), wk = 0.0022936 k( 266) = ( 0.5000000 0.3357125 0.3054404), wk = 0.0022936 k( 267) = ( 0.5000000 0.3469029 0.3054404), wk = 0.0022936 k( 268) = ( 0.5000000 0.3580934 0.3054404), wk = 0.0022936 k( 269) = ( 0.5000000 0.3692838 0.3054404), wk = 0.0022936 k( 270) = ( 0.5000000 0.3692838 0.3054404), wk = 0.0022936 k( 271) = ( 0.4888889 0.3692838 0.3054404), wk = 0.0022936 k( 272) = ( 0.4777778 0.3692838 0.3054404), wk = 0.0022936 k( 273) = ( 0.4666667 0.3692838 0.3054404), wk = 0.0022936 k( 274) = ( 0.4555556 0.3692838 0.3054404), wk = 0.0022936 k( 275) = ( 0.4444444 0.3692838 0.3054404), wk = 0.0022936 k( 276) = ( 0.4333333 0.3692838 0.3054404), wk = 0.0022936 k( 277) = ( 0.4222222 0.3692838 0.3054404), wk = 0.0022936 k( 278) = ( 0.4111111 0.3692838 0.3054404), wk = 0.0022936 k( 279) = ( 0.4000000 0.3692838 0.3054404), wk = 0.0022936 k( 280) = ( 0.3888889 0.3692838 0.3054404), wk = 0.0022936 k( 281) = ( 0.3777778 0.3692838 0.3054404), wk = 0.0022936 k( 282) = ( 0.3666667 0.3692838 0.3054404), wk = 0.0022936 k( 283) = ( 0.3555556 0.3692838 0.3054404), wk = 0.0022936 k( 284) = ( 0.3444444 0.3692838 0.3054404), wk = 0.0022936 k( 285) = ( 0.3333333 0.3692838 0.3054404), wk = 0.0022936 k( 286) = ( 0.3222222 0.3692838 0.3054404), wk = 0.0022936 k( 287) = ( 0.3111111 0.3692838 0.3054404), wk = 0.0022936 k( 288) = ( 0.3000000 0.3692838 0.3054404), wk = 0.0022936 k( 289) = ( 0.2888889 0.3692838 0.3054404), wk = 0.0022936 k( 290) = ( 0.2777778 0.3692838 0.3054404), wk = 0.0022936 k( 291) = ( 0.2666667 0.3692838 0.3054404), wk = 0.0022936 k( 292) = ( 0.2555556 0.3692838 0.3054404), wk = 0.0022936 k( 293) = ( 0.2444444 0.3692838 0.3054404), wk = 0.0022936 k( 294) = ( 0.2333333 0.3692838 0.3054404), wk = 0.0022936 k( 295) = ( 0.2222222 0.3692838 0.3054404), wk = 0.0022936 k( 296) = ( 0.2111111 0.3692838 0.3054404), wk = 0.0022936 k( 297) = ( 0.2000000 0.3692838 0.3054404), wk = 0.0022936 k( 298) = ( 0.1888889 0.3692838 0.3054404), wk = 0.0022936 k( 299) = ( 0.1777778 0.3692838 0.3054404), wk = 0.0022936 k( 300) = ( 0.1666667 0.3692838 0.3054404), wk = 0.0022936 k( 301) = ( 0.1555556 0.3692838 0.3054404), wk = 0.0022936 k( 302) = ( 0.1444444 0.3692838 0.3054404), wk = 0.0022936 k( 303) = ( 0.1333333 0.3692838 0.3054404), wk = 0.0022936 k( 304) = ( 0.1222222 0.3692838 0.3054404), wk = 0.0022936 k( 305) = ( 0.1111111 0.3692838 0.3054404), wk = 0.0022936 k( 306) = ( 0.1000000 0.3692838 0.3054404), wk = 0.0022936 k( 307) = ( 0.0888889 0.3692838 0.3054404), wk = 0.0022936 k( 308) = ( 0.0777778 0.3692838 0.3054404), wk = 0.0022936 k( 309) = ( 0.0666667 0.3692838 0.3054404), wk = 0.0022936 k( 310) = ( 0.0555556 0.3692838 0.3054404), wk = 0.0022936 k( 311) = ( 0.0444444 0.3692838 0.3054404), wk = 0.0022936 k( 312) = ( 0.0333333 0.3692838 0.3054404), wk = 0.0022936 k( 313) = ( 0.0222222 0.3692838 0.3054404), wk = 0.0022936 k( 314) = ( 0.0111111 0.3692838 0.3054404), wk = 0.0022936 k( 315) = ( 0.0000000 0.3692838 0.3054404), wk = 0.0022936 k( 316) = ( 0.0000000 0.3692838 0.3054404), wk = 0.0022936 k( 317) = ( 0.0000000 0.3580934 0.3054404), wk = 0.0022936 k( 318) = ( 0.0000000 0.3469029 0.3054404), wk = 0.0022936 k( 319) = ( 0.0000000 0.3357125 0.3054404), wk = 0.0022936 k( 320) = ( 0.0000000 0.3245221 0.3054404), wk = 0.0022936 k( 321) = ( 0.0000000 0.3133317 0.3054404), wk = 0.0022936 k( 322) = ( 0.0000000 0.3021413 0.3054404), wk = 0.0022936 k( 323) = ( 0.0000000 0.2909509 0.3054404), wk = 0.0022936 k( 324) = ( 0.0000000 0.2797604 0.3054404), wk = 0.0022936 k( 325) = ( 0.0000000 0.2685700 0.3054404), wk = 0.0022936 k( 326) = ( 0.0000000 0.2573796 0.3054404), wk = 0.0022936 k( 327) = ( 0.0000000 0.2461892 0.3054404), wk = 0.0022936 k( 328) = ( 0.0000000 0.2349988 0.3054404), wk = 0.0022936 k( 329) = ( 0.0000000 0.2238083 0.3054404), wk = 0.0022936 k( 330) = ( 0.0000000 0.2126179 0.3054404), wk = 0.0022936 k( 331) = ( 0.0000000 0.2014275 0.3054404), wk = 0.0022936 k( 332) = ( 0.0000000 0.1902371 0.3054404), wk = 0.0022936 k( 333) = ( 0.0000000 0.1790467 0.3054404), wk = 0.0022936 k( 334) = ( 0.0000000 0.1678563 0.3054404), wk = 0.0022936 k( 335) = ( 0.0000000 0.1566658 0.3054404), wk = 0.0022936 k( 336) = ( 0.0000000 0.1454754 0.3054404), wk = 0.0022936 k( 337) = ( 0.0000000 0.1342850 0.3054404), wk = 0.0022936 k( 338) = ( 0.0000000 0.1230946 0.3054404), wk = 0.0022936 k( 339) = ( 0.0000000 0.1119042 0.3054404), wk = 0.0022936 k( 340) = ( 0.0000000 0.1007138 0.3054404), wk = 0.0022936 k( 341) = ( 0.0000000 0.0895233 0.3054404), wk = 0.0022936 k( 342) = ( 0.0000000 0.0783329 0.3054404), wk = 0.0022936 k( 343) = ( 0.0000000 0.0671425 0.3054404), wk = 0.0022936 k( 344) = ( 0.0000000 0.0559521 0.3054404), wk = 0.0022936 k( 345) = ( 0.0000000 0.0447617 0.3054404), wk = 0.0022936 k( 346) = ( 0.0000000 0.0335713 0.3054404), wk = 0.0022936 k( 347) = ( 0.0000000 0.0223808 0.3054404), wk = 0.0022936 k( 348) = ( 0.0000000 0.0111904 0.3054404), wk = 0.0022936 k( 349) = ( 0.0000000 0.0000000 0.3054404), wk = 0.0022936 k( 350) = ( 0.0000000 0.3692838 -0.0000000), wk = 0.0022936 k( 351) = ( 0.0000000 0.3692838 0.0109086), wk = 0.0022936 k( 352) = ( 0.0000000 0.3692838 0.0218172), wk = 0.0022936 k( 353) = ( 0.0000000 0.3692838 0.0327258), wk = 0.0022936 k( 354) = ( 0.0000000 0.3692838 0.0436343), wk = 0.0022936 k( 355) = ( 0.0000000 0.3692838 0.0545429), wk = 0.0022936 k( 356) = ( 0.0000000 0.3692838 0.0654515), wk = 0.0022936 k( 357) = ( 0.0000000 0.3692838 0.0763601), wk = 0.0022936 k( 358) = ( 0.0000000 0.3692838 0.0872687), wk = 0.0022936 k( 359) = ( 0.0000000 0.3692838 0.0981773), wk = 0.0022936 k( 360) = ( 0.0000000 0.3692838 0.1090859), wk = 0.0022936 k( 361) = ( 0.0000000 0.3692838 0.1199944), wk = 0.0022936 k( 362) = ( 0.0000000 0.3692838 0.1309030), wk = 0.0022936 k( 363) = ( 0.0000000 0.3692838 0.1418116), wk = 0.0022936 k( 364) = ( 0.0000000 0.3692838 0.1527202), wk = 0.0022936 k( 365) = ( 0.0000000 0.3692838 0.1636288), wk = 0.0022936 k( 366) = ( 0.0000000 0.3692838 0.1745374), wk = 0.0022936 k( 367) = ( 0.0000000 0.3692838 0.1854460), wk = 0.0022936 k( 368) = ( 0.0000000 0.3692838 0.1963546), wk = 0.0022936 k( 369) = ( 0.0000000 0.3692838 0.2072631), wk = 0.0022936 k( 370) = ( 0.0000000 0.3692838 0.2181717), wk = 0.0022936 k( 371) = ( 0.0000000 0.3692838 0.2290803), wk = 0.0022936 k( 372) = ( 0.0000000 0.3692838 0.2399889), wk = 0.0022936 k( 373) = ( 0.0000000 0.3692838 0.2508975), wk = 0.0022936 k( 374) = ( 0.0000000 0.3692838 0.2618061), wk = 0.0022936 k( 375) = ( 0.0000000 0.3692838 0.2727147), wk = 0.0022936 k( 376) = ( 0.0000000 0.3692838 0.2836232), wk = 0.0022936 k( 377) = ( 0.0000000 0.3692838 0.2945318), wk = 0.0022936 k( 378) = ( 0.0000000 0.3692838 0.3054404), wk = 0.0022936 k( 379) = ( 0.5000000 -0.0000000 0.3054404), wk = 0.0022936 k( 380) = ( 0.5000000 -0.0000000 0.2945318), wk = 0.0022936 k( 381) = ( 0.5000000 -0.0000000 0.2836232), wk = 0.0022936 k( 382) = ( 0.5000000 -0.0000000 0.2727147), wk = 0.0022936 k( 383) = ( 0.5000000 -0.0000000 0.2618061), wk = 0.0022936 k( 384) = ( 0.5000000 -0.0000000 0.2508975), wk = 0.0022936 k( 385) = ( 0.5000000 -0.0000000 0.2399889), wk = 0.0022936 k( 386) = ( 0.5000000 -0.0000000 0.2290803), wk = 0.0022936 k( 387) = ( 0.5000000 -0.0000000 0.2181717), wk = 0.0022936 k( 388) = ( 0.5000000 -0.0000000 0.2072631), wk = 0.0022936 k( 389) = ( 0.5000000 -0.0000000 0.1963546), wk = 0.0022936 k( 390) = ( 0.5000000 -0.0000000 0.1854460), wk = 0.0022936 k( 391) = ( 0.5000000 -0.0000000 0.1745374), wk = 0.0022936 k( 392) = ( 0.5000000 -0.0000000 0.1636288), wk = 0.0022936 k( 393) = ( 0.5000000 -0.0000000 0.1527202), wk = 0.0022936 k( 394) = ( 0.5000000 -0.0000000 0.1418116), wk = 0.0022936 k( 395) = ( 0.5000000 -0.0000000 0.1309030), wk = 0.0022936 k( 396) = ( 0.5000000 -0.0000000 0.1199944), wk = 0.0022936 k( 397) = ( 0.5000000 -0.0000000 0.1090859), wk = 0.0022936 k( 398) = ( 0.5000000 -0.0000000 0.0981773), wk = 0.0022936 k( 399) = ( 0.5000000 -0.0000000 0.0872687), wk = 0.0022936 k( 400) = ( 0.5000000 -0.0000000 0.0763601), wk = 0.0022936 k( 401) = ( 0.5000000 -0.0000000 0.0654515), wk = 0.0022936 k( 402) = ( 0.5000000 -0.0000000 0.0545429), wk = 0.0022936 k( 403) = ( 0.5000000 -0.0000000 0.0436343), wk = 0.0022936 k( 404) = ( 0.5000000 -0.0000000 0.0327258), wk = 0.0022936 k( 405) = ( 0.5000000 -0.0000000 0.0218172), wk = 0.0022936 k( 406) = ( 0.5000000 -0.0000000 0.0109086), wk = 0.0022936 k( 407) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 408) = ( 0.5000000 0.3692838 -0.0000000), wk = 0.0022936 k( 409) = ( 0.5000000 0.3692838 0.0109086), wk = 0.0022936 k( 410) = ( 0.5000000 0.3692838 0.0218172), wk = 0.0022936 k( 411) = ( 0.5000000 0.3692838 0.0327258), wk = 0.0022936 k( 412) = ( 0.5000000 0.3692838 0.0436343), wk = 0.0022936 k( 413) = ( 0.5000000 0.3692838 0.0545429), wk = 0.0022936 k( 414) = ( 0.5000000 0.3692838 0.0654515), wk = 0.0022936 k( 415) = ( 0.5000000 0.3692838 0.0763601), wk = 0.0022936 k( 416) = ( 0.5000000 0.3692838 0.0872687), wk = 0.0022936 k( 417) = ( 0.5000000 0.3692838 0.0981773), wk = 0.0022936 k( 418) = ( 0.5000000 0.3692838 0.1090859), wk = 0.0022936 k( 419) = ( 0.5000000 0.3692838 0.1199944), wk = 0.0022936 k( 420) = ( 0.5000000 0.3692838 0.1309030), wk = 0.0022936 k( 421) = ( 0.5000000 0.3692838 0.1418116), wk = 0.0022936 k( 422) = ( 0.5000000 0.3692838 0.1527202), wk = 0.0022936 k( 423) = ( 0.5000000 0.3692838 0.1636288), wk = 0.0022936 k( 424) = ( 0.5000000 0.3692838 0.1745374), wk = 0.0022936 k( 425) = ( 0.5000000 0.3692838 0.1854460), wk = 0.0022936 k( 426) = ( 0.5000000 0.3692838 0.1963546), wk = 0.0022936 k( 427) = ( 0.5000000 0.3692838 0.2072631), wk = 0.0022936 k( 428) = ( 0.5000000 0.3692838 0.2181717), wk = 0.0022936 k( 429) = ( 0.5000000 0.3692838 0.2290803), wk = 0.0022936 k( 430) = ( 0.5000000 0.3692838 0.2399889), wk = 0.0022936 k( 431) = ( 0.5000000 0.3692838 0.2508975), wk = 0.0022936 k( 432) = ( 0.5000000 0.3692838 0.2618061), wk = 0.0022936 k( 433) = ( 0.5000000 0.3692838 0.2727147), wk = 0.0022936 k( 434) = ( 0.5000000 0.3692838 0.2836232), wk = 0.0022936 k( 435) = ( 0.5000000 0.3692838 0.2945318), wk = 0.0022936 k( 436) = ( 0.5000000 0.3692838 0.3054404), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0022936 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0022936 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0022936 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0022936 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0022936 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0022936 k( 8) = ( 0.0777778 -0.0000000 0.0000000), wk = 0.0022936 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0022936 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0022936 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0022936 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0022936 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0022936 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0022936 k( 15) = ( 0.1555556 -0.0000000 0.0000000), wk = 0.0022936 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0022936 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0022936 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0022936 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0022936 k( 20) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0022936 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0022936 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0022936 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0022936 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0022936 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0022936 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0022936 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0022936 k( 28) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0022936 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0022936 k( 30) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0022936 k( 31) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022936 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0022936 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0022936 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022936 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0022936 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0022936 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0022936 k( 38) = ( 0.4111111 -0.0000000 0.0000000), wk = 0.0022936 k( 39) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0022936 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0022936 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0022936 k( 42) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0022936 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022936 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0022936 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0022936 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022936 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022936 k( 48) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0022936 k( 49) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0022936 k( 50) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0022936 k( 51) = ( 0.5000000 0.0606061 -0.0000000), wk = 0.0022936 k( 52) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0022936 k( 53) = ( 0.5000000 0.0909091 -0.0000000), wk = 0.0022936 k( 54) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0022936 k( 55) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0022936 k( 56) = ( 0.5000000 0.1363636 -0.0000000), wk = 0.0022936 k( 57) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0022936 k( 58) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0022936 k( 59) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 0.2121212 -0.0000000), wk = 0.0022936 k( 62) = ( 0.5000000 0.2272727 0.0000000), wk = 0.0022936 k( 63) = ( 0.5000000 0.2424242 0.0000000), wk = 0.0022936 k( 64) = ( 0.5000000 0.2575758 -0.0000000), wk = 0.0022936 k( 65) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0022936 k( 66) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0022936 k( 67) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0022936 k( 68) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0022936 k( 69) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0022936 k( 70) = ( 0.5000000 0.3484849 -0.0000000), wk = 0.0022936 k( 71) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0022936 k( 72) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0022936 k( 73) = ( 0.5000000 0.3939394 0.0000000), wk = 0.0022936 k( 74) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0022936 k( 75) = ( 0.5000000 0.4242424 0.0000000), wk = 0.0022936 k( 76) = ( 0.5000000 0.4393939 0.0000000), wk = 0.0022936 k( 77) = ( 0.5000000 0.4545455 -0.0000000), wk = 0.0022936 k( 78) = ( 0.5000000 0.4696970 -0.0000000), wk = 0.0022936 k( 79) = ( 0.5000000 0.4848485 -0.0000000), wk = 0.0022936 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 82) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0022936 k( 83) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0022936 k( 84) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0022936 k( 85) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0022936 k( 86) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0022936 k( 87) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0022936 k( 88) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0022936 k( 89) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0022936 k( 90) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0022936 k( 91) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0022936 k( 92) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0022936 k( 93) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0022936 k( 94) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0022936 k( 95) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0022936 k( 96) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0022936 k( 97) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0022936 k( 98) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0022936 k( 99) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0022936 k( 100) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0022936 k( 101) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0022936 k( 102) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0022936 k( 103) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0022936 k( 104) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0022936 k( 105) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0022936 k( 106) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0022936 k( 107) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0022936 k( 108) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0022936 k( 109) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0022936 k( 110) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0022936 k( 111) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022936 k( 112) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0022936 k( 113) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0022936 k( 114) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0022936 k( 115) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0022936 k( 116) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0022936 k( 117) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0022936 k( 118) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0022936 k( 119) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0022936 k( 120) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0022936 k( 121) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0022936 k( 122) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0022936 k( 123) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0022936 k( 124) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0022936 k( 125) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0022936 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 128) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0022936 k( 129) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0022936 k( 130) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0022936 k( 131) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0022936 k( 132) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0022936 k( 133) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0022936 k( 134) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0022936 k( 135) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0022936 k( 136) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0022936 k( 137) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0022936 k( 138) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0022936 k( 139) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0022936 k( 140) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0022936 k( 141) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0022936 k( 142) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0022936 k( 143) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0022936 k( 144) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0022936 k( 145) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0022936 k( 146) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0022936 k( 147) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0022936 k( 148) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0022936 k( 149) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0022936 k( 150) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0022936 k( 151) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0022936 k( 152) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0022936 k( 153) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0022936 k( 154) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0022936 k( 155) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0022936 k( 157) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0022936 k( 159) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0022936 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 162) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0022936 k( 163) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 191) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0022936 k( 192) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0022936 k( 193) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0022936 k( 194) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0022936 k( 195) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0022936 k( 196) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0022936 k( 197) = ( 0.0777778 -0.0000000 0.5000000), wk = 0.0022936 k( 198) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0022936 k( 199) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022936 k( 200) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0022936 k( 201) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0022936 k( 202) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0022936 k( 203) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0022936 k( 204) = ( 0.1555556 -0.0000000 0.5000000), wk = 0.0022936 k( 205) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0022936 k( 206) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0022936 k( 207) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0022936 k( 208) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022936 k( 209) = ( 0.2111111 -0.0000000 0.5000000), wk = 0.0022936 k( 210) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0022936 k( 211) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0022936 k( 212) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0022936 k( 213) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0022936 k( 214) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0022936 k( 215) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0022936 k( 216) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0022936 k( 217) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0022936 k( 218) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0022936 k( 219) = ( 0.3222222 -0.0000000 0.5000000), wk = 0.0022936 k( 220) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022936 k( 221) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0022936 k( 222) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0022936 k( 223) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0022936 k( 224) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0022936 k( 225) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0022936 k( 226) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022936 k( 227) = ( 0.4111111 -0.0000000 0.5000000), wk = 0.0022936 k( 228) = ( 0.4222222 -0.0000000 0.5000000), wk = 0.0022936 k( 229) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0022936 k( 230) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0022936 k( 231) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0022936 k( 232) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0022936 k( 233) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0022936 k( 234) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0022936 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 237) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0022936 k( 238) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0022936 k( 239) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0022936 k( 240) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0022936 k( 241) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0022936 k( 242) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0022936 k( 243) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0022936 k( 244) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0022936 k( 245) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0022936 k( 246) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0022936 k( 247) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0022936 k( 248) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0022936 k( 249) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0022936 k( 250) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0022936 k( 251) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0022936 k( 252) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0022936 k( 253) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0022936 k( 254) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0022936 k( 255) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0022936 k( 256) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0022936 k( 257) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0022936 k( 258) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0022936 k( 259) = ( 0.5000000 0.3484849 0.5000000), wk = 0.0022936 k( 260) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0022936 k( 261) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0022936 k( 262) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0022936 k( 263) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0022936 k( 264) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0022936 k( 265) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0022936 k( 266) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0022936 k( 267) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0022936 k( 268) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0022936 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 271) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0022936 k( 272) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0022936 k( 273) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0022936 k( 274) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0022936 k( 275) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0022936 k( 276) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0022936 k( 277) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0022936 k( 278) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0022936 k( 279) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0022936 k( 280) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0022936 k( 281) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0022936 k( 282) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0022936 k( 283) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0022936 k( 284) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0022936 k( 285) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022936 k( 286) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0022936 k( 287) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0022936 k( 288) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0022936 k( 289) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0022936 k( 290) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0022936 k( 291) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0022936 k( 292) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0022936 k( 293) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0022936 k( 294) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0022936 k( 295) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0022936 k( 296) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0022936 k( 297) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0022936 k( 298) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0022936 k( 299) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0022936 k( 300) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022936 k( 301) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0022936 k( 302) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0022936 k( 303) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0022936 k( 304) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0022936 k( 305) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0022936 k( 306) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0022936 k( 307) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0022936 k( 308) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0022936 k( 309) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0022936 k( 310) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0022936 k( 311) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0022936 k( 312) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0022936 k( 313) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0022936 k( 314) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0022936 k( 315) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 316) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 317) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0022936 k( 318) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0022936 k( 319) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0022936 k( 320) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0022936 k( 321) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0022936 k( 322) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0022936 k( 323) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0022936 k( 324) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0022936 k( 325) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0022936 k( 326) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0022936 k( 327) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0022936 k( 328) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0022936 k( 329) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0022936 k( 330) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0022936 k( 331) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0022936 k( 332) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0022936 k( 333) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0022936 k( 334) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0022936 k( 335) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0022936 k( 336) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0022936 k( 337) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0022936 k( 338) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0022936 k( 339) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0022936 k( 340) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0022936 k( 341) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0022936 k( 342) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0022936 k( 343) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0022936 k( 344) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0022936 k( 345) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0022936 k( 346) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0022936 k( 347) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0022936 k( 348) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0022936 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 350) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 351) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0022936 k( 352) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022936 k( 353) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0022936 k( 354) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022936 k( 355) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0022936 k( 356) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022936 k( 357) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022936 k( 358) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022936 k( 359) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0022936 k( 360) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022936 k( 361) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0022936 k( 362) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022936 k( 363) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0022936 k( 364) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022936 k( 365) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0022936 k( 366) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022936 k( 367) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0022936 k( 368) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022936 k( 369) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0022936 k( 370) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022936 k( 371) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022936 k( 372) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022936 k( 373) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0022936 k( 374) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022936 k( 375) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0022936 k( 376) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022936 k( 377) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0022936 k( 378) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 379) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 380) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0022936 k( 381) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0022936 k( 382) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0022936 k( 383) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022936 k( 384) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0022936 k( 385) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0022936 k( 386) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0022936 k( 387) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022936 k( 388) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0022936 k( 389) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0022936 k( 390) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0022936 k( 391) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022936 k( 392) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0022936 k( 393) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022936 k( 394) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0022936 k( 395) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022936 k( 396) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0022936 k( 397) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0022936 k( 398) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0022936 k( 399) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022936 k( 400) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0022936 k( 401) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0022936 k( 402) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0022936 k( 403) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022936 k( 404) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0022936 k( 405) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0022936 k( 406) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0022936 k( 407) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022936 k( 408) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 409) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0022936 k( 410) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0022936 k( 411) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0022936 k( 412) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022936 k( 413) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0022936 k( 414) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0022936 k( 415) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022936 k( 416) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022936 k( 417) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0022936 k( 418) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0022936 k( 419) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0022936 k( 420) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022936 k( 421) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0022936 k( 422) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022936 k( 423) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0022936 k( 424) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022936 k( 425) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0022936 k( 426) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0022936 k( 427) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0022936 k( 428) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022936 k( 429) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022936 k( 430) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0022936 k( 431) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0022936 k( 432) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022936 k( 433) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0022936 k( 434) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0022936 k( 435) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0022936 k( 436) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 Dense grid: 40837 G-vectors FFT dimensions: ( 36, 45, 54) Smooth grid: 27917 G-vectors FFT dimensions: ( 30, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 206, 50) NL pseudopotentials 0.19 Mb ( 103, 124) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1134) G-vector shells 0.00 Mb ( 583) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 206, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.19 Mb ( 124, 2, 50) The potential is recalculated from file : ./CuAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 6.0 secs Computing kpt #: 16 total cpu time spent up to now is 6.3 secs Computing kpt #: 17 total cpu time spent up to now is 6.5 secs Computing kpt #: 18 total cpu time spent up to now is 6.8 secs Computing kpt #: 19 total cpu time spent up to now is 7.1 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.8 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.5 secs Computing kpt #: 36 total cpu time spent up to now is 11.8 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.3 secs Computing kpt #: 39 total cpu time spent up to now is 12.6 secs Computing kpt #: 40 total cpu time spent up to now is 12.9 secs Computing kpt #: 41 total cpu time spent up to now is 13.2 secs Computing kpt #: 42 total cpu time spent up to now is 13.5 secs Computing kpt #: 43 total cpu time spent up to now is 13.7 secs Computing kpt #: 44 total cpu time spent up to now is 14.0 secs Computing kpt #: 45 total cpu time spent up to now is 14.4 secs Computing kpt #: 46 total cpu time spent up to now is 14.6 secs Computing kpt #: 47 total cpu time spent up to now is 14.9 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.5 secs Computing kpt #: 50 total cpu time spent up to now is 15.9 secs Computing kpt #: 51 total cpu time spent up to now is 16.2 secs Computing kpt #: 52 total cpu time spent up to now is 16.5 secs Computing kpt #: 53 total cpu time spent up to now is 16.9 secs Computing kpt #: 54 total cpu time spent up to now is 17.2 secs Computing kpt #: 55 total cpu time spent up to now is 17.5 secs Computing kpt #: 56 total cpu time spent up to now is 17.8 secs Computing kpt #: 57 total cpu time spent up to now is 18.2 secs Computing kpt #: 58 total cpu time spent up to now is 18.5 secs Computing kpt #: 59 total cpu time spent up to now is 18.8 secs Computing kpt #: 60 total cpu time spent up to now is 19.1 secs Computing kpt #: 61 total cpu time spent up to now is 19.4 secs Computing kpt #: 62 total cpu time spent up to now is 19.8 secs Computing kpt #: 63 total cpu time spent up to now is 20.1 secs Computing kpt #: 64 total cpu time spent up to now is 20.4 secs Computing kpt #: 65 total cpu time spent up to now is 20.7 secs Computing kpt #: 66 total cpu time spent up to now is 21.1 secs Computing kpt #: 67 total cpu time spent up to now is 21.4 secs Computing kpt #: 68 total cpu time spent up to now is 21.7 secs Computing kpt #: 69 total cpu time spent up to now is 22.1 secs Computing kpt #: 70 total cpu time spent up to now is 22.4 secs Computing kpt #: 71 total cpu time spent up to now is 22.7 secs Computing kpt #: 72 total cpu time spent up to now is 23.0 secs Computing kpt #: 73 total cpu time spent up to now is 23.3 secs Computing kpt #: 74 total cpu time spent up to now is 23.6 secs Computing kpt #: 75 total cpu time spent up to now is 23.9 secs Computing kpt #: 76 total cpu time spent up to now is 24.2 secs Computing kpt #: 77 total cpu time spent up to now is 24.5 secs Computing kpt #: 78 total cpu time spent up to now is 24.8 secs Computing kpt #: 79 total cpu time spent up to now is 25.1 secs Computing kpt #: 80 total cpu time spent up to now is 25.4 secs Computing kpt #: 81 total cpu time spent up to now is 25.7 secs Computing kpt #: 82 total cpu time spent up to now is 26.0 secs Computing kpt #: 83 total cpu time spent up to now is 26.3 secs Computing kpt #: 84 total cpu time spent up to now is 26.6 secs Computing kpt #: 85 total cpu time spent up to now is 26.9 secs Computing kpt #: 86 total cpu time spent up to now is 27.2 secs Computing kpt #: 87 total cpu time spent up to now is 27.5 secs Computing kpt #: 88 total cpu time spent up to now is 27.9 secs Computing kpt #: 89 total cpu time spent up to now is 28.2 secs Computing kpt #: 90 total cpu time spent up to now is 28.5 secs Computing kpt #: 91 total cpu time spent up to now is 28.8 secs Computing kpt #: 92 total cpu time spent up to now is 29.1 secs Computing kpt #: 93 total cpu time spent up to now is 29.4 secs Computing kpt #: 94 total cpu time spent up to now is 29.7 secs Computing kpt #: 95 total cpu time spent up to now is 30.0 secs Computing kpt #: 96 total cpu time spent up to now is 30.3 secs Computing kpt #: 97 total cpu time spent up to now is 30.6 secs Computing kpt #: 98 total cpu time spent up to now is 30.9 secs Computing kpt #: 99 total cpu time spent up to now is 31.2 secs Computing kpt #: 100 total cpu time spent up to now is 31.5 secs Computing kpt #: 101 total cpu time spent up to now is 31.8 secs Computing kpt #: 102 total cpu time spent up to now is 32.1 secs Computing kpt #: 103 total cpu time spent up to now is 32.4 secs Computing kpt #: 104 total cpu time spent up to now is 32.7 secs Computing kpt #: 105 total cpu time spent up to now is 33.0 secs Computing kpt #: 106 total cpu time spent up to now is 33.3 secs Computing kpt #: 107 total cpu time spent up to now is 33.6 secs Computing kpt #: 108 total cpu time spent up to now is 33.9 secs Computing kpt #: 109 total cpu time spent up to now is 34.2 secs Computing kpt #: 110 total cpu time spent up to now is 34.6 secs Computing kpt #: 111 total cpu time spent up to now is 34.9 secs Computing kpt #: 112 total cpu time spent up to now is 35.2 secs Computing kpt #: 113 total cpu time spent up to now is 35.5 secs Computing kpt #: 114 total cpu time spent up to now is 35.8 secs Computing kpt #: 115 total cpu time spent up to now is 36.2 secs Computing kpt #: 116 total cpu time spent up to now is 36.5 secs Computing kpt #: 117 total cpu time spent up to now is 36.8 secs Computing kpt #: 118 total cpu time spent up to now is 37.1 secs Computing kpt #: 119 total cpu time spent up to now is 37.5 secs Computing kpt #: 120 total cpu time spent up to now is 37.8 secs Computing kpt #: 121 total cpu time spent up to now is 38.1 secs Computing kpt #: 122 total cpu time spent up to now is 38.4 secs Computing kpt #: 123 total cpu time spent up to now is 38.8 secs Computing kpt #: 124 total cpu time spent up to now is 39.1 secs Computing kpt #: 125 total cpu time spent up to now is 39.5 secs Computing kpt #: 126 total cpu time spent up to now is 39.8 secs Computing kpt #: 127 total cpu time spent up to now is 40.2 secs Computing kpt #: 128 total cpu time spent up to now is 40.6 secs Computing kpt #: 129 total cpu time spent up to now is 40.9 secs Computing kpt #: 130 total cpu time spent up to now is 41.2 secs Computing kpt #: 131 total cpu time spent up to now is 41.6 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.2 secs Computing kpt #: 134 total cpu time spent up to now is 42.6 secs Computing kpt #: 135 total cpu time spent up to now is 42.9 secs Computing kpt #: 136 total cpu time spent up to now is 43.2 secs Computing kpt #: 137 total cpu time spent up to now is 43.6 secs Computing kpt #: 138 total cpu time spent up to now is 43.9 secs Computing kpt #: 139 total cpu time spent up to now is 44.3 secs Computing kpt #: 140 total cpu time spent up to now is 44.6 secs Computing kpt #: 141 total cpu time spent up to now is 45.0 secs Computing kpt #: 142 total cpu time spent up to now is 45.3 secs Computing kpt #: 143 total cpu time spent up to now is 45.7 secs Computing kpt #: 144 total cpu time spent up to now is 46.0 secs Computing kpt #: 145 total cpu time spent up to now is 46.3 secs Computing kpt #: 146 total cpu time spent up to now is 46.6 secs Computing kpt #: 147 total cpu time spent up to now is 47.0 secs Computing kpt #: 148 total cpu time spent up to now is 47.3 secs Computing kpt #: 149 total cpu time spent up to now is 47.6 secs Computing kpt #: 150 total cpu time spent up to now is 47.9 secs Computing kpt #: 151 total cpu time spent up to now is 48.2 secs Computing kpt #: 152 total cpu time spent up to now is 48.5 secs Computing kpt #: 153 total cpu time spent up to now is 48.8 secs Computing kpt #: 154 total cpu time spent up to now is 49.1 secs Computing kpt #: 155 total cpu time spent up to now is 49.4 secs Computing kpt #: 156 total cpu time spent up to now is 49.7 secs Computing kpt #: 157 total cpu time spent up to now is 50.0 secs Computing kpt #: 158 total cpu time spent up to now is 50.3 secs Computing kpt #: 159 total cpu time spent up to now is 50.6 secs Computing kpt #: 160 total cpu time spent up to now is 50.9 secs Computing kpt #: 161 total cpu time spent up to now is 51.2 secs Computing kpt #: 162 total cpu time spent up to now is 51.5 secs Computing kpt #: 163 total cpu time spent up to now is 51.8 secs Computing kpt #: 164 total cpu time spent up to now is 52.1 secs Computing kpt #: 165 total cpu time spent up to now is 52.3 secs Computing kpt #: 166 total cpu time spent up to now is 52.6 secs Computing kpt #: 167 total cpu time spent up to now is 52.9 secs Computing kpt #: 168 total cpu time spent up to now is 53.2 secs Computing kpt #: 169 total cpu time spent up to now is 53.5 secs Computing kpt #: 170 total cpu time spent up to now is 53.8 secs Computing kpt #: 171 total cpu time spent up to now is 54.1 secs Computing kpt #: 172 total cpu time spent up to now is 54.4 secs Computing kpt #: 173 total cpu time spent up to now is 54.7 secs Computing kpt #: 174 total cpu time spent up to now is 55.0 secs Computing kpt #: 175 total cpu time spent up to now is 55.3 secs Computing kpt #: 176 total cpu time spent up to now is 55.6 secs Computing kpt #: 177 total cpu time spent up to now is 55.9 secs Computing kpt #: 178 total cpu time spent up to now is 56.2 secs Computing kpt #: 179 total cpu time spent up to now is 56.5 secs Computing kpt #: 180 total cpu time spent up to now is 56.8 secs Computing kpt #: 181 total cpu time spent up to now is 57.1 secs Computing kpt #: 182 total cpu time spent up to now is 57.4 secs Computing kpt #: 183 total cpu time spent up to now is 57.7 secs Computing kpt #: 184 total cpu time spent up to now is 58.0 secs Computing kpt #: 185 total cpu time spent up to now is 58.3 secs Computing kpt #: 186 total cpu time spent up to now is 58.7 secs Computing kpt #: 187 total cpu time spent up to now is 59.0 secs Computing kpt #: 188 total cpu time spent up to now is 59.4 secs Computing kpt #: 189 total cpu time spent up to now is 59.7 secs Computing kpt #: 190 total cpu time spent up to now is 60.1 secs Computing kpt #: 191 total cpu time spent up to now is 60.4 secs Computing kpt #: 192 total cpu time spent up to now is 60.8 secs Computing kpt #: 193 total cpu time spent up to now is 61.1 secs Computing kpt #: 194 total cpu time spent up to now is 61.5 secs Computing kpt #: 195 total cpu time spent up to now is 61.8 secs Computing kpt #: 196 total cpu time spent up to now is 62.1 secs Computing kpt #: 197 total cpu time spent up to now is 62.5 secs Computing kpt #: 198 total cpu time spent up to now is 62.8 secs Computing kpt #: 199 total cpu time spent up to now is 63.1 secs Computing kpt #: 200 total cpu time spent up to now is 63.5 secs Computing kpt #: 201 total cpu time spent up to now is 63.8 secs Computing kpt #: 202 total cpu time spent up to now is 64.1 secs Computing kpt #: 203 total cpu time spent up to now is 64.5 secs Computing kpt #: 204 total cpu time spent up to now is 64.8 secs Computing kpt #: 205 total cpu time spent up to now is 65.1 secs Computing kpt #: 206 total cpu time spent up to now is 65.4 secs Computing kpt #: 207 total cpu time spent up to now is 65.8 secs Computing kpt #: 208 total cpu time spent up to now is 66.1 secs Computing kpt #: 209 total cpu time spent up to now is 66.4 secs Computing kpt #: 210 total cpu time spent up to now is 66.7 secs Computing kpt #: 211 total cpu time spent up to now is 67.1 secs Computing kpt #: 212 total cpu time spent up to now is 67.4 secs Computing kpt #: 213 total cpu time spent up to now is 67.7 secs Computing kpt #: 214 total cpu time spent up to now is 68.0 secs Computing kpt #: 215 total cpu time spent up to now is 68.4 secs Computing kpt #: 216 total cpu time spent up to now is 68.7 secs Computing kpt #: 217 total cpu time spent up to now is 69.0 secs Computing kpt #: 218 total cpu time spent up to now is 69.3 secs Computing kpt #: 219 total cpu time spent up to now is 69.7 secs Computing kpt #: 220 total cpu time spent up to now is 70.1 secs Computing kpt #: 221 total cpu time spent up to now is 70.4 secs Computing kpt #: 222 total cpu time spent up to now is 70.7 secs Computing kpt #: 223 total cpu time spent up to now is 71.1 secs Computing kpt #: 224 total cpu time spent up to now is 71.4 secs Computing kpt #: 225 total cpu time spent up to now is 71.7 secs Computing kpt #: 226 total cpu time spent up to now is 72.1 secs Computing kpt #: 227 total cpu time spent up to now is 72.4 secs Computing kpt #: 228 total cpu time spent up to now is 72.7 secs Computing kpt #: 229 total cpu time spent up to now is 73.1 secs Computing kpt #: 230 total cpu time spent up to now is 73.4 secs Computing kpt #: 231 total cpu time spent up to now is 73.7 secs Computing kpt #: 232 total cpu time spent up to now is 74.0 secs Computing kpt #: 233 total cpu time spent up to now is 74.3 secs Computing kpt #: 234 total cpu time spent up to now is 74.7 secs Computing kpt #: 235 total cpu time spent up to now is 75.0 secs Computing kpt #: 236 total cpu time spent up to now is 75.3 secs Computing kpt #: 237 total cpu time spent up to now is 75.6 secs Computing kpt #: 238 total cpu time spent up to now is 76.0 secs Computing kpt #: 239 total cpu time spent up to now is 76.3 secs Computing kpt #: 240 total cpu time spent up to now is 76.6 secs Computing kpt #: 241 total cpu time spent up to now is 76.9 secs Computing kpt #: 242 total cpu time spent up to now is 77.3 secs Computing kpt #: 243 total cpu time spent up to now is 77.6 secs Computing kpt #: 244 total cpu time spent up to now is 77.9 secs Computing kpt #: 245 total cpu time spent up to now is 78.3 secs Computing kpt #: 246 total cpu time spent up to now is 78.6 secs Computing kpt #: 247 total cpu time spent up to now is 78.9 secs Computing kpt #: 248 total cpu time spent up to now is 79.3 secs Computing kpt #: 249 total cpu time spent up to now is 79.6 secs Computing kpt #: 250 total cpu time spent up to now is 79.9 secs Computing kpt #: 251 total cpu time spent up to now is 80.3 secs Computing kpt #: 252 total cpu time spent up to now is 80.7 secs Computing kpt #: 253 total cpu time spent up to now is 81.0 secs Computing kpt #: 254 total cpu time spent up to now is 81.4 secs Computing kpt #: 255 total cpu time spent up to now is 81.7 secs Computing kpt #: 256 total cpu time spent up to now is 82.1 secs Computing kpt #: 257 total cpu time spent up to now is 82.4 secs Computing kpt #: 258 total cpu time spent up to now is 82.8 secs Computing kpt #: 259 total cpu time spent up to now is 83.1 secs Computing kpt #: 260 total cpu time spent up to now is 83.4 secs Computing kpt #: 261 total cpu time spent up to now is 83.8 secs Computing kpt #: 262 total cpu time spent up to now is 84.1 secs Computing kpt #: 263 total cpu time spent up to now is 84.4 secs Computing kpt #: 264 total cpu time spent up to now is 84.8 secs Computing kpt #: 265 total cpu time spent up to now is 85.2 secs Computing kpt #: 266 total cpu time spent up to now is 85.6 secs Computing kpt #: 267 total cpu time spent up to now is 86.0 secs Computing kpt #: 268 total cpu time spent up to now is 86.4 secs Computing kpt #: 269 total cpu time spent up to now is 86.7 secs Computing kpt #: 270 total cpu time spent up to now is 87.0 secs Computing kpt #: 271 total cpu time spent up to now is 87.3 secs Computing kpt #: 272 total cpu time spent up to now is 87.6 secs Computing kpt #: 273 total cpu time spent up to now is 87.9 secs Computing kpt #: 274 total cpu time spent up to now is 88.2 secs Computing kpt #: 275 total cpu time spent up to now is 88.5 secs Computing kpt #: 276 total cpu time spent up to now is 88.8 secs Computing kpt #: 277 total cpu time spent up to now is 89.1 secs Computing kpt #: 278 total cpu time spent up to now is 89.4 secs Computing kpt #: 279 total cpu time spent up to now is 89.7 secs Computing kpt #: 280 total cpu time spent up to now is 89.9 secs Computing kpt #: 281 total cpu time spent up to now is 90.2 secs Computing kpt #: 282 total cpu time spent up to now is 90.5 secs Computing kpt #: 283 total cpu time spent up to now is 90.8 secs Computing kpt #: 284 total cpu time spent up to now is 91.1 secs Computing kpt #: 285 total cpu time spent up to now is 91.4 secs Computing kpt #: 286 total cpu time spent up to now is 91.6 secs Computing kpt #: 287 total cpu time spent up to now is 91.9 secs Computing kpt #: 288 total cpu time spent up to now is 92.2 secs Computing kpt #: 289 total cpu time spent up to now is 92.4 secs Computing kpt #: 290 total cpu time spent up to now is 92.7 secs Computing kpt #: 291 total cpu time spent up to now is 93.0 secs Computing kpt #: 292 total cpu time spent up to now is 93.3 secs Computing kpt #: 293 total cpu time spent up to now is 93.5 secs Computing kpt #: 294 total cpu time spent up to now is 93.8 secs Computing kpt #: 295 total cpu time spent up to now is 94.1 secs Computing kpt #: 296 total cpu time spent up to now is 94.4 secs Computing kpt #: 297 total cpu time spent up to now is 94.6 secs Computing kpt #: 298 total cpu time spent up to now is 94.9 secs Computing kpt #: 299 total cpu time spent up to now is 95.2 secs Computing kpt #: 300 total cpu time spent up to now is 95.5 secs Computing kpt #: 301 total cpu time spent up to now is 95.7 secs Computing kpt #: 302 total cpu time spent up to now is 96.0 secs Computing kpt #: 303 total cpu time spent up to now is 96.3 secs Computing kpt #: 304 total cpu time spent up to now is 96.6 secs Computing kpt #: 305 total cpu time spent up to now is 96.9 secs Computing kpt #: 306 total cpu time spent up to now is 97.1 secs Computing kpt #: 307 total cpu time spent up to now is 97.4 secs Computing kpt #: 308 total cpu time spent up to now is 97.7 secs Computing kpt #: 309 total cpu time spent up to now is 98.0 secs Computing kpt #: 310 total cpu time spent up to now is 98.3 secs Computing kpt #: 311 total cpu time spent up to now is 98.6 secs Computing kpt #: 312 total cpu time spent up to now is 98.9 secs Computing kpt #: 313 total cpu time spent up to now is 99.1 secs Computing kpt #: 314 total cpu time spent up to now is 99.4 secs Computing kpt #: 315 total cpu time spent up to now is 99.7 secs Computing kpt #: 316 total cpu time spent up to now is 100.0 secs Computing kpt #: 317 total cpu time spent up to now is 100.3 secs Computing kpt #: 318 total cpu time spent up to now is 100.5 secs Computing kpt #: 319 total cpu time spent up to now is 100.8 secs Computing kpt #: 320 total cpu time spent up to now is 101.1 secs Computing kpt #: 321 total cpu time spent up to now is 101.4 secs Computing kpt #: 322 total cpu time spent up to now is 101.7 secs Computing kpt #: 323 total cpu time spent up to now is 102.0 secs Computing kpt #: 324 total cpu time spent up to now is 102.3 secs Computing kpt #: 325 total cpu time spent up to now is 102.5 secs Computing kpt #: 326 total cpu time spent up to now is 102.8 secs Computing kpt #: 327 total cpu time spent up to now is 103.1 secs Computing kpt #: 328 total cpu time spent up to now is 103.4 secs Computing kpt #: 329 total cpu time spent up to now is 103.7 secs Computing kpt #: 330 total cpu time spent up to now is 104.0 secs Computing kpt #: 331 total cpu time spent up to now is 104.3 secs Computing kpt #: 332 total cpu time spent up to now is 104.6 secs Computing kpt #: 333 total cpu time spent up to now is 104.9 secs Computing kpt #: 334 total cpu time spent up to now is 105.2 secs Computing kpt #: 335 total cpu time spent up to now is 105.5 secs Computing kpt #: 336 total cpu time spent up to now is 105.9 secs Computing kpt #: 337 total cpu time spent up to now is 106.4 secs Computing kpt #: 338 total cpu time spent up to now is 106.7 secs Computing kpt #: 339 total cpu time spent up to now is 107.1 secs Computing kpt #: 340 total cpu time spent up to now is 107.5 secs Computing kpt #: 341 total cpu time spent up to now is 107.8 secs Computing kpt #: 342 total cpu time spent up to now is 108.2 secs Computing kpt #: 343 total cpu time spent up to now is 108.5 secs Computing kpt #: 344 total cpu time spent up to now is 108.9 secs Computing kpt #: 345 total cpu time spent up to now is 109.2 secs Computing kpt #: 346 total cpu time spent up to now is 109.6 secs Computing kpt #: 347 total cpu time spent up to now is 109.9 secs Computing kpt #: 348 total cpu time spent up to now is 110.3 secs Computing kpt #: 349 total cpu time spent up to now is 110.6 secs Computing kpt #: 350 total cpu time spent up to now is 111.0 secs Computing kpt #: 351 total cpu time spent up to now is 111.3 secs Computing kpt #: 352 total cpu time spent up to now is 111.7 secs Computing kpt #: 353 total cpu time spent up to now is 112.0 secs Computing kpt #: 354 total cpu time spent up to now is 112.3 secs Computing kpt #: 355 total cpu time spent up to now is 112.6 secs Computing kpt #: 356 total cpu time spent up to now is 112.9 secs Computing kpt #: 357 total cpu time spent up to now is 113.3 secs Computing kpt #: 358 total cpu time spent up to now is 113.6 secs Computing kpt #: 359 total cpu time spent up to now is 113.9 secs Computing kpt #: 360 total cpu time spent up to now is 114.2 secs Computing kpt #: 361 total cpu time spent up to now is 114.5 secs Computing kpt #: 362 total cpu time spent up to now is 114.8 secs Computing kpt #: 363 total cpu time spent up to now is 115.1 secs Computing kpt #: 364 total cpu time spent up to now is 115.3 secs Computing kpt #: 365 total cpu time spent up to now is 115.6 secs Computing kpt #: 366 total cpu time spent up to now is 115.9 secs Computing kpt #: 367 total cpu time spent up to now is 116.2 secs Computing kpt #: 368 total cpu time spent up to now is 116.5 secs Computing kpt #: 369 total cpu time spent up to now is 116.8 secs Computing kpt #: 370 total cpu time spent up to now is 117.1 secs Computing kpt #: 371 total cpu time spent up to now is 117.4 secs Computing kpt #: 372 total cpu time spent up to now is 117.7 secs Computing kpt #: 373 total cpu time spent up to now is 118.0 secs Computing kpt #: 374 total cpu time spent up to now is 118.3 secs Computing kpt #: 375 total cpu time spent up to now is 118.5 secs Computing kpt #: 376 total cpu time spent up to now is 118.8 secs Computing kpt #: 377 total cpu time spent up to now is 119.1 secs Computing kpt #: 378 total cpu time spent up to now is 119.4 secs Computing kpt #: 379 total cpu time spent up to now is 119.7 secs Computing kpt #: 380 total cpu time spent up to now is 120.0 secs Computing kpt #: 381 total cpu time spent up to now is 120.3 secs Computing kpt #: 382 total cpu time spent up to now is 120.7 secs Computing kpt #: 383 total cpu time spent up to now is 121.0 secs Computing kpt #: 384 total cpu time spent up to now is 121.4 secs Computing kpt #: 385 total cpu time spent up to now is 121.7 secs Computing kpt #: 386 total cpu time spent up to now is 122.0 secs Computing kpt #: 387 total cpu time spent up to now is 122.3 secs Computing kpt #: 388 total cpu time spent up to now is 122.7 secs Computing kpt #: 389 total cpu time spent up to now is 123.0 secs Computing kpt #: 390 total cpu time spent up to now is 123.3 secs Computing kpt #: 391 total cpu time spent up to now is 123.7 secs Computing kpt #: 392 total cpu time spent up to now is 124.0 secs Computing kpt #: 393 total cpu time spent up to now is 124.4 secs Computing kpt #: 394 total cpu time spent up to now is 124.7 secs Computing kpt #: 395 total cpu time spent up to now is 125.0 secs Computing kpt #: 396 total cpu time spent up to now is 125.4 secs Computing kpt #: 397 total cpu time spent up to now is 125.7 secs Computing kpt #: 398 total cpu time spent up to now is 126.0 secs Computing kpt #: 399 total cpu time spent up to now is 126.4 secs Computing kpt #: 400 total cpu time spent up to now is 126.7 secs Computing kpt #: 401 total cpu time spent up to now is 127.0 secs Computing kpt #: 402 total cpu time spent up to now is 127.4 secs Computing kpt #: 403 total cpu time spent up to now is 127.7 secs Computing kpt #: 404 total cpu time spent up to now is 128.0 secs Computing kpt #: 405 total cpu time spent up to now is 128.3 secs Computing kpt #: 406 total cpu time spent up to now is 128.6 secs Computing kpt #: 407 total cpu time spent up to now is 128.9 secs Computing kpt #: 408 total cpu time spent up to now is 129.2 secs Computing kpt #: 409 total cpu time spent up to now is 129.5 secs Computing kpt #: 410 total cpu time spent up to now is 129.8 secs Computing kpt #: 411 total cpu time spent up to now is 130.1 secs Computing kpt #: 412 total cpu time spent up to now is 130.4 secs Computing kpt #: 413 total cpu time spent up to now is 130.8 secs Computing kpt #: 414 total cpu time spent up to now is 131.1 secs Computing kpt #: 415 total cpu time spent up to now is 131.4 secs Computing kpt #: 416 total cpu time spent up to now is 131.7 secs Computing kpt #: 417 total cpu time spent up to now is 132.0 secs Computing kpt #: 418 total cpu time spent up to now is 132.3 secs Computing kpt #: 419 total cpu time spent up to now is 132.6 secs Computing kpt #: 420 total cpu time spent up to now is 132.9 secs Computing kpt #: 421 total cpu time spent up to now is 133.3 secs Computing kpt #: 422 total cpu time spent up to now is 133.6 secs Computing kpt #: 423 total cpu time spent up to now is 133.9 secs Computing kpt #: 424 total cpu time spent up to now is 134.3 secs Computing kpt #: 425 total cpu time spent up to now is 134.6 secs Computing kpt #: 426 total cpu time spent up to now is 134.9 secs Computing kpt #: 427 total cpu time spent up to now is 135.2 secs Computing kpt #: 428 total cpu time spent up to now is 135.6 secs Computing kpt #: 429 total cpu time spent up to now is 135.9 secs Computing kpt #: 430 total cpu time spent up to now is 136.3 secs Computing kpt #: 431 total cpu time spent up to now is 136.6 secs Computing kpt #: 432 total cpu time spent up to now is 137.0 secs Computing kpt #: 433 total cpu time spent up to now is 137.3 secs Computing kpt #: 434 total cpu time spent up to now is 137.7 secs Computing kpt #: 435 total cpu time spent up to now is 138.0 secs Computing kpt #: 436 total cpu time spent up to now is 138.3 secs ethr = 2.38E-08, avg # of iterations = 16.5 total cpu time spent up to now is 138.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -4.5529 -4.5529 -1.5574 -1.5574 -0.5823 -0.5823 0.2875 0.2875 3.0158 3.0158 4.2407 4.2407 4.5330 4.5330 5.1394 5.1394 5.1856 5.1856 5.6623 5.6623 5.7636 5.7636 5.8640 5.8640 5.9243 5.9243 6.0059 6.0059 6.2795 6.2795 6.5335 6.5335 7.4778 7.4778 7.6822 7.6822 7.7728 7.7728 8.4672 8.4672 10.7697 10.7697 12.2862 12.2862 12.5210 12.5210 13.0964 13.0964 13.1584 13.1584 k = 0.0111-0.0000-0.0000 ( 3491 PWs) bands (ev): -4.5516 -4.5516 -1.5570 -1.5570 -0.5815 -0.5815 0.2878 0.2878 3.0170 3.0170 4.2410 4.2410 4.5336 4.5336 5.1391 5.1391 5.1838 5.1838 5.6623 5.6623 5.7627 5.7627 5.8637 5.8637 5.9235 5.9235 6.0053 6.0053 6.2843 6.2843 6.5306 6.5306 7.4709 7.4709 7.6807 7.6807 7.7725 7.7725 8.4742 8.4742 10.7584 10.7584 12.2855 12.2855 12.4975 12.4975 13.1187 13.1187 13.1451 13.1451 k = 0.0222-0.0000-0.0000 ( 3493 PWs) bands (ev): -4.5479 -4.5479 -1.5558 -1.5558 -0.5792 -0.5792 0.2889 0.2889 3.0209 3.0209 4.2423 4.2423 4.5353 4.5353 5.1381 5.1381 5.1789 5.1789 5.6622 5.6622 5.7601 5.7601 5.8629 5.8629 5.9211 5.9211 6.0035 6.0035 6.2984 6.2984 6.5218 6.5218 7.4510 7.4510 7.6761 7.6761 7.7717 7.7717 8.4942 8.4942 10.7251 10.7251 12.2766 12.2766 12.4436 12.4436 13.1057 13.1057 13.1751 13.1751 k = 0.0333-0.0000-0.0000 ( 3491 PWs) bands (ev): -4.5417 -4.5417 -1.5538 -1.5538 -0.5753 -0.5753 0.2907 0.2907 3.0273 3.0273 4.2443 4.2443 4.5382 4.5382 5.1353 5.1353 5.1721 5.1721 5.6620 5.6620 5.7559 5.7559 5.8617 5.8617 5.9169 5.9169 6.0010 6.0010 6.3209 6.3209 6.5072 6.5072 7.4200 7.4200 7.6684 7.6684 7.7715 7.7715 8.5249 8.5249 10.6717 10.6717 12.2334 12.2334 12.4015 12.4015 13.0421 13.0421 13.2477 13.2477 k = 0.0444-0.0000-0.0000 ( 3491 PWs) bands (ev): -4.5330 -4.5330 -1.5511 -1.5511 -0.5698 -0.5698 0.2932 0.2932 3.0363 3.0363 4.2470 4.2470 4.5424 4.5424 5.1288 5.1288 5.1656 5.1656 5.6618 5.6618 5.7503 5.7503 5.8600 5.8600 5.9106 5.9106 5.9980 5.9980 6.3501 6.3501 6.4874 6.4874 7.3810 7.3810 7.6577 7.6577 7.7723 7.7723 8.5634 8.5634 10.6004 10.6004 12.1425 12.1425 12.3949 12.3949 12.9569 12.9569 13.3240 13.3240 k = 0.0556-0.0000-0.0000 ( 3487 PWs) bands (ev): -4.5219 -4.5219 -1.5477 -1.5477 -0.5628 -0.5628 0.2965 0.2965 3.0479 3.0479 4.2505 4.2505 4.5477 4.5477 5.1167 5.1167 5.1618 5.1618 5.6614 5.6614 5.7433 5.7433 5.8578 5.8578 5.9021 5.9021 5.9950 5.9950 6.3827 6.3827 6.4650 6.4650 7.3375 7.3375 7.6436 7.6436 7.7744 7.7744 8.6070 8.6070 10.5142 10.5142 12.0270 12.0270 12.4054 12.4054 12.8533 12.8533 13.3971 13.3971 k = 0.0667-0.0000-0.0000 ( 3489 PWs) bands (ev): -4.5082 -4.5082 -1.5436 -1.5436 -0.5543 -0.5543 0.3003 0.3003 3.0619 3.0619 4.2546 4.2546 4.5540 4.5540 5.0994 5.0994 5.1608 5.1608 5.6607 5.6607 5.7349 5.7349 5.8553 5.8553 5.8908 5.8908 5.9919 5.9919 6.3997 6.3997 6.4584 6.4584 7.2924 7.2924 7.6263 7.6263 7.7778 7.7778 8.6533 8.6533 10.4156 10.4156 11.9015 11.9015 12.4201 12.4201 12.7343 12.7343 13.4630 13.4630 k = 0.0778-0.0000-0.0000 ( 3485 PWs) bands (ev): -4.4922 -4.4922 -1.5389 -1.5389 -0.5443 -0.5443 0.3049 0.3049 3.0785 3.0785 4.2593 4.2593 4.5615 4.5615 5.0783 5.0783 5.1617 5.1617 5.6594 5.6594 5.7248 5.7248 5.8524 5.8524 5.8767 5.8767 5.9890 5.9890 6.3762 6.3762 6.4930 6.4930 7.2484 7.2484 7.6055 7.6055 7.7822 7.7822 8.7008 8.7008 10.3070 10.3070 11.7718 11.7718 12.4337 12.4337 12.6032 12.6032 13.5192 13.5192 k = 0.0889-0.0000-0.0000 ( 3493 PWs) bands (ev): -4.4736 -4.4736 -1.5337 -1.5337 -0.5328 -0.5328 0.3100 0.3100 3.0976 3.0976 4.2644 4.2644 4.5699 4.5699 5.0547 5.0547 5.1635 5.1635 5.6567 5.6567 5.7127 5.7127 5.8486 5.8486 5.8599 5.8599 5.9862 5.9862 6.3393 6.3393 6.5427 6.5427 7.2072 7.2072 7.5812 7.5812 7.7872 7.7872 8.7483 8.7483 10.1907 10.1907 11.6408 11.6408 12.4359 12.4359 12.4704 12.4704 13.5644 13.5644 k = 0.1000-0.0000-0.0000 ( 3485 PWs) bands (ev): -4.4527 -4.4527 -1.5280 -1.5280 -0.5198 -0.5198 0.3158 0.3158 3.1192 3.1192 4.2698 4.2698 4.5794 4.5794 5.0295 5.0295 5.1663 5.1663 5.6503 5.6503 5.6990 5.6990 5.8374 5.8374 5.8483 5.8483 5.9836 5.9836 6.3000 6.3000 6.5982 6.5982 7.1697 7.1697 7.5532 7.5532 7.7925 7.7925 8.7951 8.7951 10.0685 10.0685 11.5104 11.5104 12.3087 12.3087 12.4546 12.4546 13.5976 13.5976 k = 0.1111-0.0000-0.0000 ( 3483 PWs) bands (ev): -4.4293 -4.4293 -1.5221 -1.5221 -0.5054 -0.5054 0.3221 0.3221 3.1432 3.1432 4.2754 4.2754 4.5898 4.5898 5.0031 5.0031 5.1695 5.1695 5.6343 5.6343 5.6869 5.6869 5.8174 5.8174 5.8442 5.8442 5.9810 5.9810 6.2619 6.2619 6.6578 6.6578 7.1365 7.1365 7.5214 7.5214 7.7977 7.7977 8.8408 8.8408 9.9421 9.9421 11.3819 11.3819 12.1541 12.1541 12.4547 12.4547 13.6185 13.6185 k = 0.1222-0.0000-0.0000 ( 3479 PWs) bands (ev): -4.4035 -4.4035 -1.5160 -1.5160 -0.4896 -0.4896 0.3289 0.3289 3.1695 3.1695 4.2809 4.2809 4.6011 4.6011 4.9761 4.9761 5.1732 5.1732 5.6026 5.6026 5.6799 5.6799 5.7980 5.7980 5.8409 5.8409 5.9786 5.9786 6.2272 6.2272 6.7206 6.7206 7.1073 7.1073 7.4856 7.4856 7.8022 7.8022 8.8850 8.8850 9.8127 9.8127 11.2566 11.2566 11.9946 11.9946 12.4492 12.4492 13.6271 13.6271 k = 0.1333-0.0000-0.0000 ( 3475 PWs) bands (ev): -4.3754 -4.3754 -1.5098 -1.5098 -0.4725 -0.4725 0.3361 0.3361 3.1982 3.1982 4.2861 4.2861 4.6132 4.6132 4.9488 4.9488 5.1772 5.1772 5.5558 5.5558 5.6766 5.6766 5.7811 5.7811 5.8378 5.8378 5.9762 5.9762 6.1973 6.1973 6.7861 6.7861 7.0819 7.0819 7.4458 7.4458 7.8058 7.8058 8.9277 8.9277 9.6817 9.6817 11.1355 11.1355 11.8317 11.8317 12.4374 12.4374 13.6237 13.6237 k = 0.1444-0.0000-0.0000 ( 3471 PWs) bands (ev): -4.3448 -4.3448 -1.5037 -1.5037 -0.4540 -0.4540 0.3438 0.3438 3.2291 3.2291 4.2907 4.2907 4.6260 4.6260 4.9217 4.9217 5.1813 5.1813 5.4974 5.4974 5.6749 5.6749 5.7670 5.7670 5.8349 5.8349 5.9739 5.9739 6.1724 6.1724 6.8536 6.8536 7.0603 7.0603 7.4019 7.4019 7.8077 7.8077 8.9688 8.9688 9.5502 9.5502 11.0195 11.0195 11.6666 11.6666 12.4190 12.4190 13.6088 13.6088 k = 0.1556-0.0000-0.0000 ( 3463 PWs) bands (ev): -4.3120 -4.3120 -1.4978 -1.4978 -0.4343 -0.4343 0.3519 0.3519 3.2623 3.2623 4.2942 4.2942 4.6395 4.6395 4.8949 4.8949 5.1852 5.1852 5.4316 5.4316 5.6737 5.6737 5.7551 5.7551 5.8322 5.8322 5.9715 5.9715 6.1521 6.1521 6.9213 6.9213 7.0434 7.0434 7.3539 7.3539 7.8076 7.8076 9.0083 9.0083 9.4192 9.4192 10.9095 10.9095 11.5003 11.5003 12.3941 12.3941 13.5831 13.5831 k = 0.1667-0.0000-0.0000 ( 3469 PWs) bands (ev): -4.2768 -4.2768 -1.4924 -1.4924 -0.4134 -0.4134 0.3603 0.3603 3.2975 3.2975 4.2961 4.2961 4.6535 4.6535 4.8688 4.8688 5.1877 5.1877 5.3628 5.3628 5.6725 5.6725 5.7447 5.7447 5.8297 5.8297 5.9692 5.9692 6.1356 6.1356 6.9785 6.9785 7.0408 7.0408 7.3022 7.3022 7.8050 7.8050 9.0453 9.0453 9.2903 9.2903 10.8064 10.8064 11.3334 11.3334 12.3627 12.3627 13.5471 13.5471 k = 0.1778-0.0000-0.0000 ( 3463 PWs) bands (ev): -4.2393 -4.2393 -1.4876 -1.4876 -0.3912 -0.3912 0.3689 0.3689 3.3346 3.3346 4.2958 4.2958 4.6680 4.6680 4.8436 4.8436 5.1858 5.1858 5.2973 5.2973 5.6711 5.6711 5.7354 5.7354 5.8276 5.8276 5.9668 5.9668 6.1223 6.1223 6.9897 6.9897 7.0858 7.0858 7.2484 7.2484 7.7992 7.7992 9.0738 9.0738 9.1706 9.1706 10.7109 10.7109 11.1665 11.1665 12.3252 12.3252 13.5016 13.5016 k = 0.1889-0.0000-0.0000 ( 3473 PWs) bands (ev): -4.1996 -4.1996 -1.4837 -1.4837 -0.3680 -0.3680 0.3777 0.3777 3.3736 3.3736 4.2927 4.2927 4.6823 4.6823 4.8196 4.8196 5.1676 5.1676 5.2499 5.2499 5.6692 5.6692 5.7269 5.7269 5.8255 5.8255 5.9642 5.9642 6.1113 6.1113 6.9794 6.9794 7.1368 7.1368 7.2092 7.2092 7.7900 7.7900 9.0175 9.0175 9.1369 9.1369 10.6239 10.6239 11.0002 11.0002 12.2818 12.2818 13.4475 13.4475 k = 0.2000-0.0000-0.0000 ( 3479 PWs) bands (ev): -4.1576 -4.1576 -1.4807 -1.4807 -0.3437 -0.3437 0.3866 0.3866 3.4141 3.4141 4.2859 4.2859 4.6963 4.6963 4.7974 4.7974 5.1219 5.1219 5.2342 5.2342 5.6667 5.6667 5.7191 5.7191 5.8237 5.8237 5.9616 5.9616 6.1023 6.1023 6.9664 6.9664 7.1043 7.1043 7.2550 7.2550 7.7768 7.7768 8.8993 8.8993 9.1670 9.1670 10.5459 10.5459 10.8348 10.8348 12.2330 12.2330 13.3854 13.3854 k = 0.2111-0.0000-0.0000 ( 3479 PWs) bands (ev): -4.1134 -4.1134 -1.4791 -1.4791 -0.3184 -0.3184 0.3956 0.3956 3.4559 3.4559 4.2750 4.2750 4.7087 4.7087 4.7784 4.7784 5.0678 5.0678 5.2333 5.2333 5.6633 5.6633 5.7120 5.7120 5.8220 5.8220 5.9588 5.9588 6.0948 6.0948 6.9526 6.9526 7.0406 7.0406 7.3319 7.3319 7.7595 7.7595 8.7790 8.7790 9.2016 9.2016 10.4774 10.4774 10.6708 10.6708 12.1793 12.1793 13.3161 13.3161 k = 0.2222-0.0000-0.0000 ( 3478 PWs) bands (ev): -4.0671 -4.0671 -1.4789 -1.4789 -0.2922 -0.2922 0.4045 0.4045 3.4985 3.4985 4.2595 4.2595 4.7156 4.7156 4.7661 4.7661 5.0180 5.0180 5.2362 5.2362 5.6588 5.6588 5.7055 5.7055 5.8203 5.8203 5.9558 5.9558 6.0884 6.0884 6.9349 6.9349 6.9749 6.9749 7.4138 7.4138 7.7379 7.7379 8.6607 8.6607 9.2367 9.2367 10.4184 10.4184 10.5090 10.5090 12.1212 12.1212 13.2402 13.2402 k = 0.2333-0.0000-0.0000 ( 3482 PWs) bands (ev): -4.0187 -4.0187 -1.4806 -1.4806 -0.2652 -0.2652 0.4134 0.4134 3.5414 3.5414 4.2397 4.2397 4.7115 4.7115 4.7662 4.7662 4.9763 4.9763 5.2399 5.2399 5.6530 5.6530 5.6999 5.6999 5.8184 5.8184 5.9525 5.9525 6.0830 6.0830 6.8861 6.8861 6.9374 6.9374 7.4978 7.4978 7.7124 7.7124 8.5451 8.5451 9.2721 9.2721 10.3433 10.3433 10.3754 10.3754 12.0592 12.0592 13.1586 13.1586 k = 0.2444-0.0000-0.0000 ( 3494 PWs) bands (ev): -3.9682 -3.9682 -1.4842 -1.4842 -0.2374 -0.2374 0.4220 0.4220 3.5836 3.5836 4.2168 4.2168 4.6992 4.6992 4.7756 4.7756 4.9441 4.9441 5.2432 5.2432 5.6452 5.6452 5.6954 5.6954 5.8162 5.8162 5.9488 5.9488 6.0784 6.0784 6.8136 6.8136 6.9221 6.9221 7.5814 7.5814 7.6851 7.6851 8.4323 8.4323 9.3076 9.3076 10.1881 10.1881 10.3343 10.3343 11.9940 11.9940 13.0719 13.0719 k = 0.2556-0.0000-0.0000 ( 3498 PWs) bands (ev): -3.9156 -3.9156 -1.4900 -1.4900 -0.2089 -0.2089 0.4304 0.4304 3.6241 3.6241 4.1930 4.1930 4.6849 4.6849 4.7882 4.7882 4.9214 4.9214 5.2458 5.2458 5.6351 5.6351 5.6921 5.6921 5.8136 5.8136 5.9446 5.9446 6.0745 6.0745 6.7383 6.7383 6.9094 6.9094 7.6301 7.6301 7.6905 7.6905 8.3224 8.3224 9.3433 9.3433 10.0325 10.0325 10.3060 10.3060 11.9261 11.9261 12.9807 12.9807 k = 0.2667-0.0000-0.0000 ( 3498 PWs) bands (ev): -3.8611 -3.8611 -1.4984 -1.4984 -0.1798 -0.1798 0.4384 0.4384 3.6608 3.6608 4.1714 4.1714 4.6710 4.6710 4.8014 4.8014 4.9075 4.9075 5.2471 5.2471 5.6221 5.6221 5.6903 5.6903 5.8104 5.8104 5.9399 5.9399 6.0711 6.0711 6.6637 6.6637 6.8972 6.8972 7.6016 7.6016 7.7710 7.7710 8.2154 8.2154 9.3793 9.3793 9.8795 9.8795 10.2876 10.2876 11.8560 11.8560 12.8858 12.8858 k = 0.2778-0.0000-0.0000 ( 3498 PWs) bands (ev): -3.8047 -3.8047 -1.5095 -1.5095 -0.1502 -0.1502 0.4460 0.4460 3.6914 3.6914 4.1561 4.1561 4.6583 4.6583 4.8142 4.8142 4.9013 4.9013 5.2467 5.2467 5.6052 5.6052 5.6901 5.6901 5.8064 5.8064 5.9346 5.9346 6.0682 6.0682 6.5918 6.5918 6.8852 6.8852 7.5623 7.5623 7.8605 7.8605 8.1116 8.1116 9.4153 9.4153 9.7297 9.7297 10.2782 10.2782 11.7842 11.7842 12.7878 12.7878 k = 0.2889-0.0000-0.0000 ( 3502 PWs) bands (ev): -3.7465 -3.7465 -1.5235 -1.5235 -0.1203 -0.1203 0.4530 0.4530 3.7133 3.7133 4.1513 4.1513 4.6471 4.6471 4.8261 4.8261 4.9015 4.9015 5.2441 5.2441 5.5833 5.5833 5.6918 5.6918 5.8013 5.8013 5.9288 5.9288 6.0658 6.0658 6.5246 6.5246 6.8733 6.8733 7.5200 7.5200 7.9465 7.9465 8.0159 8.0159 9.4497 9.4497 9.5852 9.5852 10.2773 10.2773 11.7111 11.7111 12.6875 12.6875 k = 0.3000-0.0000-0.0000 ( 3502 PWs) bands (ev): -3.6865 -3.6865 -1.5407 -1.5407 -0.0900 -0.0900 0.4595 0.4595 3.7248 3.7248 4.1602 4.1602 4.6377 4.6377 4.8368 4.8368 4.9069 4.9069 5.2391 5.2391 5.5554 5.5554 5.6954 5.6954 5.7951 5.7951 5.9228 5.9228 6.0639 6.0639 6.4638 6.4638 6.8613 6.8613 7.4762 7.4762 7.9031 7.9031 8.0534 8.0534 9.4254 9.4254 9.5035 9.5035 10.2839 10.2839 11.6372 11.6372 12.5854 12.5854 k = 0.3111-0.0000-0.0000 ( 3506 PWs) bands (ev): -3.6247 -3.6247 -1.5613 -1.5613 -0.0595 -0.0595 0.4652 0.4652 3.7266 3.7266 4.1833 4.1833 4.6300 4.6300 4.8461 4.8461 4.9161 4.9161 5.2314 5.2314 5.5204 5.5204 5.7008 5.7008 5.7877 5.7877 5.9170 5.9170 6.0623 6.0623 6.4109 6.4109 6.8493 6.8493 7.4321 7.4321 7.8071 7.8071 8.1463 8.1463 9.2924 9.2924 9.5351 9.5351 10.2970 10.2970 11.5627 11.5627 12.4825 12.4825 k = 0.3222-0.0000-0.0000 ( 3506 PWs) bands (ev): -3.5614 -3.5614 -1.5853 -1.5853 -0.0289 -0.0289 0.4701 0.4701 3.7212 3.7212 4.2189 4.2189 4.6244 4.6244 4.8537 4.8537 4.9281 4.9281 5.2209 5.2209 5.4782 5.4782 5.7079 5.7079 5.7792 5.7792 5.9120 5.9120 6.0611 6.0611 6.3668 6.3668 6.8372 6.8372 7.3886 7.3886 7.7119 7.7119 8.2409 8.2409 9.1577 9.1577 9.5738 9.5738 10.3156 10.3156 11.4881 11.4881 12.3796 12.3796 k = 0.3333-0.0000-0.0000 ( 3508 PWs) bands (ev): -3.4965 -3.4965 -1.6130 -1.6130 0.0016 0.0016 0.4742 0.4742 3.7124 3.7124 4.2639 4.2639 4.6208 4.6208 4.8590 4.8590 4.9423 4.9423 5.2074 5.2074 5.4292 5.4292 5.7162 5.7162 5.7698 5.7698 5.9081 5.9081 6.0604 6.0604 6.3312 6.3312 6.8249 6.8249 7.3467 7.3467 7.6186 7.6186 8.3346 8.3346 9.0283 9.0283 9.6142 9.6142 10.3384 10.3384 11.4134 11.4134 12.2775 12.2775 k = 0.3444-0.0000-0.0000 ( 3508 PWs) bands (ev): -3.4301 -3.4301 -1.6443 -1.6443 0.0321 0.0321 0.4773 0.4773 3.7033 3.7033 4.3158 4.3158 4.6192 4.6192 4.8606 4.8606 4.9581 4.9581 5.1906 5.1906 5.3756 5.3756 5.7250 5.7250 5.7603 5.7603 5.9057 5.9057 6.0601 6.0601 6.3035 6.3035 6.8126 6.8126 7.3069 7.3069 7.5280 7.5280 8.4234 8.4234 8.9083 8.9083 9.6559 9.6559 10.3640 10.3640 11.3390 11.3390 12.1775 12.1775 k = 0.3556-0.0000-0.0000 ( 3512 PWs) bands (ev): -3.3624 -3.3624 -1.6793 -1.6793 0.0623 0.0623 0.4794 0.4794 3.6961 3.6961 4.3722 4.3722 4.6197 4.6197 4.8570 4.8570 4.9751 4.9751 5.1702 5.1702 5.3206 5.3206 5.7314 5.7314 5.7531 5.7531 5.9047 5.9047 6.0603 6.0603 6.2825 6.2825 6.8002 6.8002 7.2699 7.2699 7.4407 7.4407 8.4948 8.4948 8.8106 8.8106 9.6988 9.6988 10.3909 10.3909 11.2650 11.2650 12.0809 12.0809 k = 0.3667-0.0000-0.0000 ( 3508 PWs) bands (ev): -3.2935 -3.2935 -1.7181 -1.7181 0.0921 0.0921 0.4804 0.4804 3.6925 3.6925 4.4316 4.4316 4.6224 4.6224 4.8456 4.8456 4.9928 4.9928 5.1460 5.1460 5.2690 5.2690 5.7280 5.7280 5.7555 5.7555 5.9052 5.9052 6.0612 6.0612 6.2667 6.2667 6.7877 6.7877 7.2347 7.2347 7.3587 7.3587 8.5079 8.5079 8.7760 8.7760 9.7429 9.7429 10.4170 10.4170 11.1914 11.1914 11.9895 11.9895 k = 0.3778-0.0000-0.0000 ( 3506 PWs) bands (ev): -3.2234 -3.2234 -1.7605 -1.7605 0.1215 0.1215 0.4801 0.4801 3.6937 3.6937 4.4925 4.4925 4.6272 4.6272 4.8235 4.8235 5.0099 5.0099 5.1197 5.1197 5.2252 5.2252 5.7170 5.7170 5.7646 5.7646 5.9068 5.9068 6.0626 6.0626 6.2546 6.2546 6.7754 6.7754 7.1974 7.1974 7.2875 7.2875 8.4412 8.4412 8.8260 8.8260 9.7883 9.7883 10.4401 10.4401 11.1185 11.1185 11.9052 11.9052 k = 0.3889-0.0000-0.0000 ( 3518 PWs) bands (ev): -3.1524 -3.1524 -1.8065 -1.8065 0.1503 0.1503 0.4786 0.4786 3.7002 3.7002 4.5534 4.5534 4.6341 4.6341 4.7883 4.7883 5.0223 5.0223 5.0978 5.0978 5.1910 5.1910 5.7033 5.7033 5.7749 5.7749 5.9090 5.9090 6.0646 6.0646 6.2452 6.2452 6.7632 6.7632 7.1477 7.1477 7.2385 7.2385 8.3430 8.3430 8.9125 8.9125 9.8350 9.8350 10.4575 10.4575 11.0464 11.0464 11.8308 11.8308 k = 0.4000-0.0000-0.0000 ( 3506 PWs) bands (ev): -3.0804 -3.0804 -1.8559 -1.8559 0.1784 0.1784 0.4759 0.4759 3.7125 3.7125 4.6120 4.6120 4.6433 4.6433 4.7408 4.7408 5.0205 5.0205 5.0928 5.0928 5.1655 5.1655 5.6879 5.6879 5.7856 5.7856 5.9117 5.9117 6.0675 6.0675 6.2370 6.2370 6.7516 6.7516 7.0846 7.0846 7.2141 7.2141 8.2383 8.2383 9.0104 9.0104 9.8831 9.8831 10.4661 10.4661 10.9750 10.9750 11.7689 11.7689 k = 0.4111-0.0000-0.0000 ( 3502 PWs) bands (ev): -3.0078 -3.0078 -1.9086 -1.9086 0.2058 0.2058 0.4717 0.4717 3.7308 3.7308 4.6491 4.6491 4.6528 4.6528 4.7031 4.7031 5.0047 5.0047 5.1025 5.1025 5.1500 5.1500 5.6706 5.6706 5.7961 5.7961 5.9140 5.9140 6.0712 6.0712 6.2293 6.2293 6.7405 6.7405 7.0189 7.0189 7.2047 7.2047 8.1340 8.1340 9.1129 9.1129 9.9325 9.9325 10.4629 10.4629 10.9044 10.9044 11.7226 11.7226 k = 0.4222-0.0000-0.0000 ( 3496 PWs) bands (ev): -2.9346 -2.9346 -1.9644 -1.9644 0.2322 0.2322 0.4660 0.4660 3.7553 3.7553 4.5970 4.5970 4.6672 4.6672 4.7410 4.7410 4.9840 4.9840 5.1049 5.1049 5.1550 5.1550 5.6511 5.6511 5.8065 5.8065 5.9155 5.9155 6.0758 6.0758 6.2213 6.2213 6.7304 6.7304 6.9565 6.9565 7.2059 7.2059 8.0324 8.0324 9.2177 9.2177 9.9833 9.9833 10.4453 10.4453 10.8348 10.8348 11.6943 11.6943 k = 0.4333-0.0000-0.0000 ( 3492 PWs) bands (ev): -2.8610 -2.8610 -2.0231 -2.0231 0.2576 0.2576 0.4590 0.4590 3.7858 3.7858 4.5247 4.5247 4.6825 4.6825 4.7918 4.7918 4.9615 4.9615 5.0952 5.0952 5.1802 5.1802 5.6291 5.6291 5.8168 5.8168 5.9157 5.9157 6.0813 6.0813 6.2123 6.2123 6.7214 6.7214 6.8997 6.8997 7.2163 7.2163 7.9344 7.9344 9.3237 9.3237 10.0355 10.0355 10.4119 10.4119 10.7661 10.7661 11.6852 11.6852 k = 0.4444-0.0000-0.0000 ( 3496 PWs) bands (ev): -2.7872 -2.7872 -2.0845 -2.0845 0.2819 0.2819 0.4504 0.4504 3.8224 3.8224 4.4488 4.4488 4.6996 4.6996 4.8393 4.8393 4.9379 4.9379 5.0827 5.0827 5.2139 5.2139 5.6041 5.6041 5.8271 5.8271 5.9141 5.9141 6.0877 6.0877 6.2019 6.2019 6.7138 6.7138 6.8499 6.8499 7.2355 7.2355 7.8408 7.8408 9.4304 9.4304 10.0890 10.0890 10.3629 10.3629 10.6985 10.6985 11.6951 11.6951 k = 0.4556-0.0000-0.0000 ( 3492 PWs) bands (ev): -2.7133 -2.7133 -2.1482 -2.1482 0.3051 0.3051 0.4402 0.4402 3.8647 3.8647 4.3724 4.3724 4.7185 4.7185 4.8802 4.8802 4.9149 4.9149 5.0696 5.0696 5.2526 5.2526 5.5758 5.5758 5.8376 5.8376 5.9107 5.9107 6.0952 6.0952 6.1901 6.1901 6.7082 6.7082 6.8079 6.8079 7.2632 7.2632 7.7520 7.7520 9.5371 9.5371 10.1439 10.1439 10.2999 10.2999 10.6320 10.6320 11.7223 11.7223 k = 0.4667-0.0000-0.0000 ( 3498 PWs) bands (ev): -2.6396 -2.6396 -2.2141 -2.2141 0.3270 0.3270 0.4286 0.4286 3.9126 3.9126 4.2970 4.2970 4.7391 4.7391 4.8838 4.8838 4.9230 4.9230 5.0558 5.0558 5.2947 5.2947 5.5440 5.5440 5.8482 5.8482 5.9053 5.9053 6.1038 6.1038 6.1771 6.1771 6.7049 6.7049 6.7739 6.7739 7.2991 7.2991 7.6685 7.6685 9.6433 9.6433 10.1995 10.1995 10.2258 10.2258 10.5666 10.5666 11.7644 11.7644 k = 0.4778-0.0000-0.0000 ( 3494 PWs) bands (ev): -2.5664 -2.5664 -2.2818 -2.2818 0.3475 0.3475 0.4154 0.4154 3.9658 3.9658 4.2237 4.2237 4.7612 4.7612 4.8594 4.8594 4.9537 4.9537 5.0406 5.0406 5.3388 5.3388 5.5084 5.5084 5.8589 5.8589 5.8982 5.8982 6.1137 6.1137 6.1636 6.1636 6.7046 6.7046 6.7475 6.7475 7.3430 7.3430 7.5906 7.5906 9.7484 9.7484 10.1404 10.1404 10.2584 10.2584 10.5024 10.5024 11.8189 11.8189 k = 0.4889-0.0000-0.0000 ( 3490 PWs) bands (ev): -2.4937 -2.4937 -2.3512 -2.3512 0.3667 0.3667 0.4007 0.4007 4.0240 4.0240 4.1534 4.1534 4.7845 4.7845 4.8340 4.8340 4.9806 4.9806 5.0235 5.0235 5.3836 5.3836 5.4694 5.4694 5.8696 5.8696 5.8896 5.8896 6.1248 6.1248 6.1500 6.1500 6.7078 6.7078 6.7283 6.7283 7.3945 7.3945 7.5187 7.5187 9.8518 9.8518 10.0491 10.0491 10.3174 10.3174 10.4394 10.4394 11.8836 11.8836 k = 0.5000-0.0000-0.0000 ( 3486 PWs) bands (ev): -2.4219 -2.4219 -2.4218 -2.4218 0.3844 0.3844 0.3845 0.3845 4.0866 4.0866 4.0867 4.0867 4.8088 4.8088 4.8090 4.8090 5.0037 5.0037 5.0038 5.0038 5.4274 5.4274 5.4276 5.4276 5.8798 5.8798 5.8801 5.8801 6.1368 6.1368 6.1372 6.1372 6.7153 6.7153 6.7155 6.7155 7.4532 7.4532 7.4532 7.4532 9.9523 9.9523 9.9524 9.9524 10.3777 10.3777 10.3778 10.3778 11.9565 11.9565 k = 0.5000-0.0000-0.0000 ( 3486 PWs) bands (ev): -2.4219 -2.4219 -2.4218 -2.4218 0.3844 0.3844 0.3845 0.3845 4.0866 4.0866 4.0867 4.0867 4.8088 4.8088 4.8090 4.8090 5.0037 5.0037 5.0038 5.0038 5.4274 5.4274 5.4276 5.4276 5.8798 5.8798 5.8801 5.8801 6.1368 6.1368 6.1372 6.1372 6.7153 6.7153 6.7155 6.7155 7.4532 7.4532 7.4532 7.4532 9.9523 9.9523 9.9524 9.9524 10.3777 10.3777 10.3778 10.3778 11.9565 11.9565 k = 0.5000 0.0112-0.0000 ( 3486 PWs) bands (ev): -2.4209 -2.4209 -2.4209 -2.4209 0.3826 0.3826 0.3831 0.3831 4.0870 4.0870 4.0887 4.0887 4.8031 4.8031 4.8074 4.8074 5.0004 5.0004 5.0077 5.0077 5.4214 5.4214 5.4339 5.4339 5.8732 5.8732 5.8883 5.8883 6.1358 6.1358 6.1381 6.1381 6.7063 6.7063 6.7185 6.7185 7.4546 7.4546 7.4646 7.4646 9.9432 9.9432 9.9491 9.9491 10.3676 10.3676 10.3733 10.3733 11.9659 11.9659 k = 0.5000 0.0224-0.0000 ( 3490 PWs) bands (ev): -2.4180 -2.4180 -2.4179 -2.4179 0.3778 0.3778 0.3788 0.3788 4.0898 4.0898 4.0931 4.0931 4.7904 4.7904 4.7985 4.7985 4.9981 4.9981 5.0119 5.0119 5.4159 5.4159 5.4404 5.4404 5.8683 5.8683 5.8979 5.8979 6.1345 6.1345 6.1391 6.1391 6.6920 6.6920 6.7153 6.7153 7.4687 7.4687 7.4878 7.4878 9.9220 9.9220 9.9337 9.9337 10.3440 10.3440 10.3551 10.3551 11.9991 11.9991 k = 0.5000 0.0336-0.0000 ( 3494 PWs) bands (ev): -2.4131 -2.4131 -2.4130 -2.4130 0.3699 0.3699 0.3713 0.3713 4.0949 4.0949 4.0998 4.0998 4.7716 4.7716 4.7827 4.7827 4.9967 4.9967 5.0159 5.0159 5.4115 5.4115 5.4466 5.4466 5.8654 5.8654 5.9084 5.9084 6.1332 6.1332 6.1399 6.1399 6.6736 6.6736 6.7065 6.7065 7.4945 7.4945 7.5212 7.5212 9.8894 9.8894 9.9065 9.9065 10.3096 10.3096 10.3257 10.3257 12.0538 12.0538 k = 0.5000 0.0448-0.0000 ( 3502 PWs) bands (ev): -2.4063 -2.4063 -2.4062 -2.4062 0.3590 0.3590 0.3609 0.3609 4.1024 4.1024 4.1090 4.1090 4.7475 4.7475 4.7609 4.7609 4.9960 4.9960 5.0195 5.0195 5.4083 5.4083 5.4525 5.4525 5.8643 5.8643 5.9191 5.9191 6.1319 6.1319 6.1406 6.1406 6.6522 6.6522 6.6928 6.6928 7.5299 7.5299 7.5624 7.5624 9.8466 9.8466 9.8685 9.8685 10.2682 10.2682 10.2885 10.2885 12.1269 12.1269 k = 0.5000 0.0560-0.0000 ( 3506 PWs) bands (ev): -2.3975 -2.3975 -2.3974 -2.3974 0.3450 0.3450 0.3474 0.3474 4.1122 4.1122 4.1205 4.1205 4.7190 4.7190 4.7340 4.7340 4.9959 4.9959 5.0225 5.0225 5.4065 5.4065 5.4581 5.4581 5.8648 5.8648 5.9298 5.9298 6.1305 6.1305 6.1411 6.1411 6.6289 6.6289 6.6754 6.6754 7.5724 7.5724 7.6091 7.6091 9.7948 9.7948 9.8210 9.8210 10.2235 10.2235 10.2476 10.2476 12.2152 12.2152 k = 0.5000 0.0671-0.0000 ( 3514 PWs) bands (ev): -2.3869 -2.3869 -2.3868 -2.3868 0.3281 0.3281 0.3309 0.3309 4.1243 4.1243 4.1343 4.1343 4.6869 4.6869 4.7033 4.7033 4.9960 4.9960 5.0249 5.0249 5.4062 5.4062 5.4635 5.4635 5.8667 5.8667 5.9400 5.9400 6.1292 6.1292 6.1414 6.1414 6.6044 6.6044 6.6551 6.6551 7.6191 7.6191 7.6585 7.6585 9.7358 9.7358 9.7653 9.7653 10.1793 10.1793 10.2067 10.2067 12.3156 12.3156 k = 0.5000 0.0783-0.0000 ( 3506 PWs) bands (ev): -2.3743 -2.3743 -2.3742 -2.3742 0.3083 0.3083 0.3115 0.3115 4.1387 4.1387 4.1504 4.1504 4.6523 4.6523 4.6698 4.6698 4.9962 4.9962 5.0269 5.0269 5.4074 5.4074 5.4688 5.4688 5.8696 5.8696 5.9494 5.9494 6.1279 6.1279 6.1414 6.1414 6.5792 6.5792 6.6330 6.6330 7.6672 7.6672 7.7078 7.7078 9.6711 9.6711 9.7032 9.7032 10.1394 10.1394 10.1697 10.1697 12.4254 12.4254 k = 0.5000 0.0895-0.0000 ( 3514 PWs) bands (ev): -2.3599 -2.3599 -2.3598 -2.3598 0.2857 0.2857 0.2893 0.2893 4.1553 4.1553 4.1688 4.1688 4.6159 4.6159 4.6344 4.6344 4.9964 4.9964 5.0284 5.0284 5.4099 5.4099 5.4741 5.4741 5.8731 5.8731 5.9577 5.9577 6.1265 6.1265 6.1412 6.1412 6.5538 6.5538 6.6094 6.6094 7.7136 7.7136 7.7542 7.7542 9.6024 9.6024 9.6363 9.6363 10.1070 10.1070 10.1397 10.1397 12.5425 12.5425 k = 0.5000 0.1007-0.0000 ( 3510 PWs) bands (ev): -2.3438 -2.3438 -2.3436 -2.3436 0.2602 0.2602 0.2643 0.2643 4.1740 4.1740 4.1893 4.1893 4.5786 4.5786 4.5980 4.5980 4.9965 4.9965 5.0296 5.0296 5.4138 5.4138 5.4796 5.4796 5.8770 5.8770 5.9648 5.9648 6.1253 6.1253 6.1407 6.1407 6.5282 6.5282 6.5849 6.5849 7.7553 7.7553 7.7946 7.7946 9.5311 9.5311 9.5662 9.5662 10.0855 10.0855 10.1200 10.1200 12.6650 12.6650 k = 0.5000 0.1119-0.0000 ( 3510 PWs) bands (ev): -2.3258 -2.3258 -2.3257 -2.3257 0.2321 0.2321 0.2366 0.2366 4.1948 4.1948 4.2119 4.2119 4.5412 4.5412 4.5614 4.5614 4.9965 4.9965 5.0305 5.0305 5.4189 5.4189 5.4855 5.4855 5.8810 5.8810 5.9704 5.9704 6.1241 6.1241 6.1398 6.1398 6.5028 6.5028 6.5598 6.5598 7.7893 7.7893 7.8262 7.8262 9.4586 9.4586 9.4945 9.4945 10.0777 10.0777 10.1133 10.1133 12.7913 12.7913 k = 0.5000 0.1231-0.0000 ( 3492 PWs) bands (ev): -2.3061 -2.3061 -2.3060 -2.3060 0.2015 0.2015 0.2063 0.2063 4.2175 4.2175 4.2365 4.2365 4.5044 4.5044 4.5254 4.5254 4.9965 4.9965 5.0312 5.0312 5.4252 5.4252 5.4918 5.4918 5.8850 5.8850 5.9744 5.9744 6.1231 6.1231 6.1386 6.1386 6.4776 6.4776 6.5344 6.5344 7.8132 7.8132 7.8465 7.8465 9.3862 9.3862 9.4223 9.4223 10.0865 10.0865 10.1222 10.1222 12.9199 12.9199 k = 0.5000 0.1343-0.0000 ( 3492 PWs) bands (ev): -2.2848 -2.2848 -2.2847 -2.2847 0.1685 0.1685 0.1736 0.1736 4.2418 4.2418 4.2626 4.2626 4.4689 4.4689 4.4906 4.4906 4.9963 4.9963 5.0316 5.0316 5.4325 5.4325 5.4984 5.4984 5.8886 5.8886 5.9766 5.9766 6.1220 6.1220 6.1367 6.1367 6.4529 6.4529 6.5090 6.5090 7.8249 7.8249 7.8536 7.8536 9.3146 9.3146 9.3507 9.3507 10.1135 10.1135 10.1485 10.1485 13.0497 13.0497 k = 0.5000 0.1455-0.0000 ( 3500 PWs) bands (ev): -2.2620 -2.2620 -2.2619 -2.2619 0.1332 0.1332 0.1386 0.1386 4.2673 4.2673 4.2898 4.2898 4.4357 4.4357 4.4577 4.4577 4.9960 4.9960 5.0319 5.0319 5.4407 5.4407 5.5053 5.5053 5.8919 5.8919 5.9769 5.9769 6.1211 6.1211 6.1341 6.1341 6.4287 6.4287 6.4838 6.4838 7.8234 7.8234 7.8465 7.8465 9.2446 9.2446 9.2806 9.2806 10.1598 10.1598 10.1932 10.1932 13.1794 13.1794 k = 0.5000 0.1567-0.0000 ( 3500 PWs) bands (ev): -2.2376 -2.2376 -2.2375 -2.2375 0.0958 0.0958 0.1016 0.1016 4.2930 4.2930 4.3157 4.3157 4.4074 4.4074 4.4283 4.4283 4.9957 4.9957 5.0321 5.0321 5.4499 5.4499 5.5127 5.5127 5.8947 5.8947 5.9750 5.9750 6.1202 6.1202 6.1308 6.1308 6.4055 6.4055 6.4593 6.4593 7.8084 7.8084 7.8255 7.8255 9.1769 9.1769 9.2126 9.2126 10.2254 10.2254 10.2567 10.2567 13.3076 13.3076 k = 0.5000 0.1679-0.0000 ( 3504 PWs) bands (ev): -2.2118 -2.2118 -2.2118 -2.2118 0.0566 0.0566 0.0626 0.0626 4.3153 4.3153 4.3307 4.3307 4.3938 4.3938 4.4059 4.4059 4.9954 4.9954 5.0322 5.0322 5.4599 5.4599 5.5203 5.5203 5.8969 5.8969 5.9708 5.9708 6.1193 6.1193 6.1267 6.1267 6.3835 6.3835 6.4359 6.4359 7.7805 7.7805 7.7912 7.7912 9.1118 9.1118 9.1473 9.1473 10.3096 10.3096 10.3382 10.3382 13.4331 13.4331 k = 0.5000 0.1790-0.0000 ( 3498 PWs) bands (ev): -2.1848 -2.1848 -2.1847 -2.1847 0.0157 0.0157 0.0220 0.0220 4.3203 4.3203 4.3240 4.3240 4.4009 4.4009 4.4095 4.4095 4.9950 4.9950 5.0323 5.0323 5.4705 5.4705 5.5280 5.5280 5.8984 5.8984 5.9641 5.9641 6.1187 6.1187 6.1215 6.1215 6.3631 6.3631 6.4140 6.4140 7.7409 7.7409 7.7454 7.7454 9.0497 9.0497 9.0851 9.0851 10.4107 10.4107 10.4366 10.4366 13.5545 13.5545 k = 0.5000 0.1902-0.0000 ( 3500 PWs) bands (ev): -2.1566 -2.1566 -2.1565 -2.1565 -0.0265 -0.0265 -0.0200 -0.0200 4.2985 4.2985 4.3132 4.3132 4.4193 4.4193 4.4405 4.4405 4.9946 4.9946 5.0323 5.0323 5.4816 5.4816 5.5355 5.5355 5.8992 5.8992 5.9548 5.9548 6.1152 6.1152 6.1181 6.1181 6.3447 6.3447 6.3941 6.3941 7.6896 7.6896 7.6913 7.6913 8.9908 8.9908 9.0261 9.0261 10.5270 10.5270 10.5502 10.5502 13.6701 13.6701 k = 0.5000 0.2014-0.0000 ( 3496 PWs) bands (ev): -2.1274 -2.1274 -2.1273 -2.1273 -0.0699 -0.0699 -0.0631 -0.0631 4.2756 4.2756 4.2945 4.2945 4.4492 4.4492 4.4764 4.4764 4.9942 4.9942 5.0323 5.0323 5.4929 5.4929 5.5427 5.5427 5.8991 5.8991 5.9430 5.9430 6.1079 6.1079 6.1176 6.1176 6.3288 6.3288 6.3768 6.3768 7.6260 7.6260 7.6334 7.6334 8.9353 8.9353 8.9706 8.9706 10.6565 10.6565 10.6773 10.6773 13.7782 13.7782 k = 0.5000 0.2126-0.0000 ( 3492 PWs) bands (ev): -2.0974 -2.0974 -2.0973 -2.0973 -0.1140 -0.1140 -0.1070 -0.1070 4.2539 4.2539 4.2748 4.2748 4.4838 4.4838 4.5149 4.5149 4.9937 4.9937 5.0323 5.0323 5.5040 5.5040 5.5489 5.5489 5.8983 5.8983 5.9289 5.9289 6.0998 6.0998 6.1173 6.1173 6.3155 6.3155 6.3626 6.3626 7.5562 7.5562 7.5689 7.5689 8.8834 8.8834 8.9187 8.9187 10.7975 10.7975 10.8161 10.8161 13.8769 13.8769 k = 0.5000 0.2238-0.0000 ( 3500 PWs) bands (ev): -2.0668 -2.0668 -2.0666 -2.0666 -0.1586 -0.1586 -0.1514 -0.1514 4.2341 4.2341 4.2561 4.2561 4.5206 4.5206 4.5550 4.5550 4.9933 4.9933 5.0322 5.0322 5.5143 5.5143 5.5538 5.5538 5.8965 5.8965 5.9130 5.9130 6.0912 6.0912 6.1170 6.1170 6.3052 6.3052 6.3517 6.3517 7.4818 7.4818 7.4995 7.4995 8.8351 8.8351 8.8706 8.8706 10.9483 10.9483 10.9649 10.9649 13.9638 13.9638 k = 0.5000 0.2350-0.0000 ( 3500 PWs) bands (ev): -2.0358 -2.0358 -2.0355 -2.0355 -0.2032 -0.2032 -0.1958 -0.1958 4.2162 4.2162 4.2391 4.2391 4.5591 4.5591 4.5965 4.5965 4.9929 4.9929 5.0322 5.0322 5.5231 5.5231 5.5567 5.5567 5.8940 5.8940 5.8963 5.8963 6.0827 6.0827 6.1169 6.1169 6.2980 6.2980 6.3446 6.3446 7.4043 7.4043 7.4264 7.4264 8.7905 8.7905 8.8262 8.8262 11.1071 11.1071 11.1222 11.1222 14.0365 14.0365 k = 0.5000 0.2462-0.0000 ( 3498 PWs) bands (ev): -2.0046 -2.0046 -2.0043 -2.0043 -0.2475 -0.2475 -0.2399 -0.2399 4.2004 4.2004 4.2238 4.2238 4.5985 4.5985 4.6391 4.6391 4.9925 4.9925 5.0322 5.0322 5.5293 5.5293 5.5569 5.5569 5.8798 5.8798 5.8912 5.8912 6.0750 6.0750 6.1168 6.1168 6.2941 6.2941 6.3412 6.3412 7.3250 7.3250 7.3510 7.3510 8.7497 8.7497 8.7856 8.7856 11.2728 11.2728 11.2867 11.2867 14.0925 14.0925 k = 0.5000 0.2574-0.0000 ( 3490 PWs) bands (ev): -1.9737 -1.9737 -1.9733 -1.9733 -0.2910 -0.2910 -0.2832 -0.2832 4.1864 4.1864 4.2104 4.2104 4.6386 4.6386 4.6824 4.6824 4.9921 4.9921 5.0322 5.0322 5.5318 5.5318 5.5537 5.5537 5.8652 5.8652 5.8885 5.8885 6.0685 6.0685 6.1169 6.1169 6.2934 6.2934 6.3416 6.3416 7.2447 7.2447 7.2744 7.2744 8.7126 8.7126 8.7487 8.7487 11.4440 11.4440 11.4570 11.4570 14.1293 14.1293 k = 0.5000 0.2686-0.0000 ( 3494 PWs) bands (ev): -1.9433 -1.9433 -1.9428 -1.9428 -0.3331 -0.3331 -0.3253 -0.3253 4.1743 4.1743 4.1987 4.1987 4.6790 4.6790 4.7261 4.7261 4.9917 4.9917 5.0322 5.0322 5.5291 5.5291 5.5466 5.5466 5.8537 5.8537 5.8862 5.8862 6.0635 6.0635 6.1169 6.1169 6.2960 6.2960 6.3460 6.3460 7.1646 7.1646 7.1973 7.1973 8.6792 8.6792 8.7155 8.7155 11.6194 11.6194 11.6320 11.6320 14.1447 14.1447 k = 0.5000 0.2798-0.0000 ( 3496 PWs) bands (ev): -1.9139 -1.9139 -1.9133 -1.9133 -0.3735 -0.3735 -0.3655 -0.3655 4.1640 4.1640 4.1886 4.1886 4.7192 4.7192 4.7700 4.7700 4.9913 4.9913 5.0323 5.0323 5.5204 5.5204 5.5354 5.5354 5.8467 5.8467 5.8848 5.8848 6.0602 6.0602 6.1170 6.1170 6.3022 6.3022 6.3544 6.3544 7.0854 7.0854 7.1208 7.1208 8.6495 8.6495 8.6861 8.6861 11.7980 11.7980 11.8106 11.8106 14.1370 14.1370 k = 0.5000 0.2910-0.0000 ( 3488 PWs) bands (ev): -1.8859 -1.8859 -1.8852 -1.8852 -0.4114 -0.4114 -0.4032 -0.4032 4.1552 4.1552 4.1801 4.1801 4.7588 4.7588 4.8136 4.8136 4.9909 4.9909 5.0325 5.0325 5.5056 5.5056 5.5203 5.5203 5.8444 5.8444 5.8847 5.8847 6.0586 6.0586 6.1172 6.1172 6.3121 6.3121 6.3671 6.3671 7.0079 7.0079 7.0453 7.0453 8.6235 8.6235 8.6602 8.6602 11.9784 11.9784 11.9915 11.9915 14.1054 14.1054 k = 0.5000 0.3021-0.0000 ( 3496 PWs) bands (ev): -1.8599 -1.8599 -1.8591 -1.8591 -0.4463 -0.4463 -0.4379 -0.4379 4.1479 4.1479 4.1731 4.1731 4.7972 4.7972 4.8562 4.8562 4.9904 4.9904 5.0328 5.0328 5.4852 5.4852 5.5022 5.5022 5.8462 5.8462 5.8855 5.8855 6.0582 6.0582 6.1174 6.1174 6.3259 6.3259 6.3842 6.3842 6.9328 6.9328 6.9716 6.9716 8.6010 8.6010 8.6380 8.6380 12.1593 12.1593 12.1735 12.1735 14.0503 14.0503 k = 0.5000 0.3133-0.0000 ( 3484 PWs) bands (ev): -1.8364 -1.8364 -1.8355 -1.8355 -0.4774 -0.4774 -0.4689 -0.4689 4.1419 4.1419 4.1673 4.1673 4.8335 4.8335 4.8972 4.8972 4.9898 4.9898 5.0334 5.0334 5.4609 5.4609 5.4821 5.4821 5.8509 5.8509 5.8870 5.8870 6.0588 6.0588 6.1176 6.1176 6.3439 6.3439 6.4063 6.4063 6.8609 6.8609 6.9003 6.9003 8.5822 8.5822 8.6193 8.6193 12.3389 12.3389 12.3552 12.3552 13.9731 13.9731 k = 0.5000 0.3245-0.0000 ( 3480 PWs) bands (ev): -1.8161 -1.8161 -1.8151 -1.8151 -0.5042 -0.5042 -0.4955 -0.4955 4.1372 4.1372 4.1628 4.1628 4.8668 4.8668 4.9353 4.9353 4.9890 4.9890 5.0344 5.0344 5.4345 5.4345 5.4615 5.4615 5.8570 5.8570 5.8889 5.8889 6.0600 6.0600 6.1179 6.1179 6.3660 6.3660 6.4335 6.4335 6.7932 6.7932 6.8317 6.8317 8.5668 8.5668 8.6041 8.6041 12.5148 12.5148 12.5346 12.5346 13.8765 13.8765 k = 0.5000 0.3357-0.0000 ( 3486 PWs) bands (ev): -1.7996 -1.7996 -1.7984 -1.7984 -0.5258 -0.5258 -0.5171 -0.5171 4.1337 4.1337 4.1593 4.1593 4.8958 4.8958 4.9683 4.9683 4.9879 4.9879 5.0364 5.0364 5.4085 5.4085 5.4423 5.4423 5.8632 5.8632 5.8907 5.8907 6.0613 6.0613 6.1180 6.1180 6.3919 6.3919 6.4658 6.4658 6.7308 6.7308 6.7665 6.7665 8.5549 8.5549 8.5923 8.5923 12.6832 12.6832 12.7089 12.7089 13.7647 13.7647 k = 0.5000 0.3469-0.0000 ( 3488 PWs) bands (ev): -1.7873 -1.7873 -1.7860 -1.7860 -0.5418 -0.5418 -0.5329 -0.5329 4.1312 4.1312 4.1569 4.1569 4.9191 4.9191 4.9865 4.9865 4.9931 4.9931 5.0404 5.0404 5.3857 5.3857 5.4263 5.4263 5.8684 5.8684 5.8922 5.8922 6.0625 6.0625 6.1181 6.1181 6.4200 6.4200 6.5035 6.5035 6.6761 6.6761 6.7050 6.7050 8.5464 8.5464 8.5839 8.5839 12.8364 12.8364 12.8723 12.8723 13.6447 13.6447 k = 0.5000 0.3581-0.0000 ( 3488 PWs) bands (ev): -1.7797 -1.7797 -1.7784 -1.7784 -0.5516 -0.5516 -0.5427 -0.5427 4.1298 4.1298 4.1555 4.1555 4.9348 4.9348 4.9850 4.9850 5.0067 5.0067 5.0463 5.0463 5.3697 5.3697 5.4157 5.4157 5.8718 5.8718 5.8932 5.8932 6.0633 6.0633 6.1182 6.1182 6.4457 6.4457 6.5463 6.5463 6.6343 6.6343 6.6478 6.6478 8.5414 8.5414 8.5788 8.5788 12.9569 12.9569 13.0094 13.0094 13.5332 13.5332 k = 0.5000 0.3693-0.0000 ( 3488 PWs) bands (ev): -1.7771 -1.7771 -1.7758 -1.7758 -0.5549 -0.5549 -0.5460 -0.5460 4.1293 4.1293 4.1551 4.1551 4.9405 4.9405 4.9842 4.9842 5.0105 5.0105 5.0494 5.0494 5.3638 5.3638 5.4120 5.4120 5.8730 5.8730 5.8935 5.8935 6.0636 6.0636 6.1183 6.1183 6.4574 6.4574 6.5890 6.5890 6.6002 6.6002 6.6171 6.6171 8.5397 8.5397 8.5772 8.5772 13.0070 13.0070 13.0724 13.0724 13.4786 13.4786 k = 0.5000 0.3693-0.0000 ( 3488 PWs) bands (ev): -1.7771 -1.7771 -1.7758 -1.7758 -0.5549 -0.5549 -0.5460 -0.5460 4.1293 4.1293 4.1551 4.1551 4.9405 4.9405 4.9842 4.9842 5.0105 5.0105 5.0494 5.0494 5.3638 5.3638 5.4120 5.4120 5.8730 5.8730 5.8935 5.8935 6.0636 6.0636 6.1183 6.1183 6.4574 6.4574 6.5890 6.5890 6.6002 6.6002 6.6171 6.6171 8.5397 8.5397 8.5772 8.5772 13.0070 13.0070 13.0724 13.0724 13.4786 13.4786 k = 0.4889 0.3693-0.0000 ( 3480 PWs) bands (ev): -1.7798 -1.7798 -1.7785 -1.7785 -0.5541 -0.5541 -0.5452 -0.5452 4.1306 4.1306 4.1567 4.1567 4.9330 4.9330 4.9631 4.9631 5.0325 5.0325 5.0575 5.0575 5.3625 5.3625 5.4097 5.4097 5.8725 5.8725 5.8933 5.8933 6.0622 6.0622 6.1176 6.1176 6.4371 6.4371 6.5350 6.5350 6.6287 6.6287 6.6780 6.6780 8.5416 8.5416 8.5790 8.5790 12.9989 12.9989 13.0644 13.0644 13.4853 13.4853 k = 0.4778 0.3693-0.0000 ( 3484 PWs) bands (ev): -1.7879 -1.7879 -1.7866 -1.7866 -0.5518 -0.5518 -0.5429 -0.5429 4.1345 4.1345 4.1613 4.1613 4.9153 4.9153 4.9341 4.9341 5.0644 5.0644 5.0772 5.0772 5.3585 5.3585 5.4027 5.4027 5.8707 5.8707 5.8925 5.8925 6.0580 6.0580 6.1154 6.1154 6.3997 6.3997 6.4765 6.4765 6.6906 6.6906 6.7567 6.7567 8.5472 8.5472 8.5845 8.5845 12.9762 12.9762 13.0419 13.0419 13.5043 13.5043 k = 0.4667 0.3693-0.0000 ( 3484 PWs) bands (ev): -1.8012 -1.8012 -1.7999 -1.7999 -0.5482 -0.5482 -0.5394 -0.5394 4.1407 4.1407 4.1687 4.1687 4.8936 4.8936 4.9061 4.9061 5.0972 5.0972 5.1021 5.1021 5.3520 5.3520 5.3911 5.3911 5.8677 5.8677 5.8913 5.8913 6.0512 6.0512 6.1115 6.1115 6.3647 6.3647 6.4262 6.4262 6.7663 6.7663 6.8411 6.8411 8.5567 8.5567 8.5937 8.5937 12.9419 12.9419 13.0079 13.0079 13.5323 13.5323 k = 0.4556 0.3693-0.0000 ( 3484 PWs) bands (ev): -1.8194 -1.8194 -1.8181 -1.8181 -0.5435 -0.5435 -0.5347 -0.5347 4.1487 4.1487 4.1784 4.1784 4.8715 4.8715 4.8801 4.8801 5.1291 5.1291 5.1298 5.1298 5.3433 5.3433 5.3751 5.3751 5.8637 5.8637 5.8898 5.8898 6.0420 6.0420 6.1055 6.1055 6.3373 6.3373 6.3852 6.3852 6.8502 6.8502 6.9304 6.9304 8.5699 8.5699 8.6065 8.6065 12.8995 12.8995 12.9659 12.9659 13.5658 13.5658 k = 0.4444 0.3693-0.0000 ( 3484 PWs) bands (ev): -1.8422 -1.8422 -1.8409 -1.8409 -0.5380 -0.5380 -0.5292 -0.5292 4.1580 4.1580 4.1898 4.1898 4.8507 4.8507 4.8568 4.8568 5.1566 5.1566 5.1616 5.1616 5.3331 5.3331 5.3552 5.3552 5.8585 5.8585 5.8880 5.8880 6.0312 6.0312 6.0973 6.0973 6.3186 6.3186 6.3542 6.3542 6.9400 6.9400 7.0239 7.0239 8.5868 8.5868 8.6229 8.6229 12.8519 12.8519 12.9184 12.9184 13.6022 13.6022 k = 0.4333 0.3693-0.0000 ( 3490 PWs) bands (ev): -1.8690 -1.8690 -1.8677 -1.8677 -0.5320 -0.5320 -0.5233 -0.5233 4.1675 4.1675 4.2018 4.2018 4.8327 4.8327 4.8369 4.8369 5.1840 5.1840 5.1911 5.1911 5.3226 5.3226 5.3319 5.3319 5.8525 5.8525 5.8862 5.8862 6.0198 6.0198 6.0872 6.0872 6.3082 6.3082 6.3330 6.3330 7.0348 7.0348 7.1214 7.1214 8.6074 8.6074 8.6429 8.6429 12.8008 12.8008 12.8676 12.8676 13.6395 13.6395 k = 0.4222 0.3693-0.0000 ( 3490 PWs) bands (ev): -1.8996 -1.8996 -1.8983 -1.8983 -0.5258 -0.5258 -0.5172 -0.5172 4.1763 4.1763 4.2134 4.2134 4.8186 4.8186 4.8212 4.8212 5.2106 5.2106 5.2161 5.2161 5.3060 5.3060 5.3144 5.3144 5.8458 5.8458 5.8845 5.8845 6.0086 6.0086 6.0760 6.0760 6.3050 6.3050 6.3209 6.3209 7.1338 7.1338 7.2224 7.2224 8.6317 8.6317 8.6665 8.6665 12.7479 12.7479 12.8148 12.8148 13.6763 13.6763 k = 0.4111 0.3693-0.0000 ( 3486 PWs) bands (ev): -1.9333 -1.9333 -1.9321 -1.9321 -0.5198 -0.5198 -0.5113 -0.5113 4.1831 4.1831 4.2228 4.2228 4.8097 4.8097 4.8105 4.8105 5.2318 5.2318 5.2362 5.2362 5.2788 5.2788 5.3138 5.3138 5.8388 5.8388 5.8829 5.8829 5.9985 5.9985 6.0645 6.0645 6.3080 6.3080 6.3167 6.3167 7.2366 7.2366 7.3268 7.3268 8.6595 8.6595 8.6934 8.6934 12.6940 12.6940 12.7613 12.7613 13.7116 13.7116 k = 0.4000 0.3693-0.0000 ( 3488 PWs) bands (ev): -1.9698 -1.9698 -1.9686 -1.9686 -0.5142 -0.5142 -0.5059 -0.5059 4.1865 4.1865 4.2286 4.2286 4.8055 4.8055 4.8072 4.8072 5.2346 5.2346 5.2499 5.2499 5.2618 5.2618 5.3250 5.3250 5.8320 5.8320 5.8817 5.8817 5.9897 5.9897 6.0537 6.0537 6.3161 6.3161 6.3189 6.3189 7.3428 7.3428 7.4343 7.4343 8.6907 8.6907 8.7237 8.7237 12.6401 12.6401 12.7076 12.7076 13.7448 13.7448 k = 0.3889 0.3693-0.0000 ( 3484 PWs) bands (ev): -2.0086 -2.0086 -2.0074 -2.0074 -0.5094 -0.5094 -0.5012 -0.5012 4.1853 4.1853 4.2292 4.2292 4.8066 4.8066 4.8120 4.8120 5.2238 5.2238 5.2289 5.2289 5.2843 5.2843 5.3444 5.3444 5.8256 5.8256 5.8808 5.8808 5.9825 5.9825 6.0440 6.0440 6.3265 6.3265 6.3289 6.3289 7.4522 7.4522 7.5446 7.5446 8.7252 8.7252 8.7572 8.7572 12.5867 12.5867 12.6546 12.6546 13.7753 13.7753 k = 0.3778 0.3693-0.0000 ( 3490 PWs) bands (ev): -2.0493 -2.0493 -2.0482 -2.0482 -0.5055 -0.5055 -0.4974 -0.4974 4.1787 4.1787 4.2234 4.2234 4.8135 4.8135 4.8244 4.8244 5.1993 5.1993 5.2215 5.2215 5.3062 5.3062 5.3665 5.3665 5.8200 5.8200 5.8801 5.8801 5.9769 5.9769 6.0359 6.0359 6.3388 6.3388 6.3457 6.3457 7.5646 7.5646 7.6578 7.6578 8.7628 8.7628 8.7938 8.7938 12.5344 12.5344 12.6028 12.6028 13.8027 13.8027 k = 0.3667 0.3693-0.0000 ( 3484 PWs) bands (ev): -2.0916 -2.0916 -2.0904 -2.0904 -0.5027 -0.5027 -0.4948 -0.4948 4.1663 4.1663 4.2109 4.2109 4.8255 4.8255 4.8437 4.8437 5.1783 5.1783 5.2163 5.2163 5.3270 5.3270 5.3884 5.3884 5.8154 5.8154 5.8794 5.8794 5.9727 5.9727 6.0292 6.0292 6.3552 6.3552 6.3662 6.3662 7.6798 7.6798 7.7737 7.7737 8.8032 8.8032 8.8331 8.8331 12.4836 12.4836 12.5526 12.5526 13.8267 13.8267 k = 0.3556 0.3693-0.0000 ( 3484 PWs) bands (ev): -2.1350 -2.1350 -2.1339 -2.1339 -0.5012 -0.5012 -0.4934 -0.4934 4.1481 4.1481 4.1918 4.1918 4.8407 4.8407 4.8679 4.8679 5.1627 5.1627 5.2159 5.2159 5.3468 5.3468 5.4092 5.4092 5.8120 5.8120 5.8785 5.8785 5.9701 5.9701 6.0241 6.0241 6.3756 6.3756 6.3903 6.3903 7.7977 7.7977 7.8922 7.8922 8.8462 8.8462 8.8749 8.8749 12.4348 12.4348 12.5045 12.5045 13.8471 13.8471 k = 0.3444 0.3693-0.0000 ( 3484 PWs) bands (ev): -2.1792 -2.1792 -2.1781 -2.1781 -0.5009 -0.5009 -0.4933 -0.4933 4.1248 4.1248 4.1669 4.1669 4.8572 4.8572 4.8939 4.8939 5.1546 5.1546 5.2222 5.2222 5.3659 5.3659 5.4283 5.4283 5.8097 5.8097 5.8773 5.8773 5.9689 5.9689 6.0204 6.0204 6.3998 6.3998 6.4179 6.4179 7.9183 7.9183 8.0133 8.0133 8.8914 8.8914 8.9189 8.9189 12.3883 12.3883 12.4588 12.4588 13.8638 13.8638 k = 0.3333 0.3693-0.0000 ( 3484 PWs) bands (ev): -2.2239 -2.2239 -2.2229 -2.2229 -0.5020 -0.5020 -0.4946 -0.4946 4.0969 4.0969 4.1371 4.1371 4.8729 4.8729 4.9176 4.9176 5.1565 5.1565 5.2364 5.2364 5.3848 5.3848 5.4455 5.4455 5.8085 5.8085 5.8756 5.8756 5.9692 5.9692 6.0181 6.0181 6.4281 6.4281 6.4489 6.4489 8.0414 8.0414 8.1369 8.1369 8.9385 8.9385 8.9649 8.9649 12.3446 12.3446 12.4160 12.4160 13.8765 13.8765 k = 0.3222 0.3693-0.0000 ( 3476 PWs) bands (ev): -2.2690 -2.2690 -2.2680 -2.2680 -0.5044 -0.5044 -0.4972 -0.4972 4.0653 4.0653 4.1033 4.1033 4.8862 4.8862 4.9354 4.9354 5.1703 5.1703 5.2587 5.2587 5.4041 5.4041 5.4610 5.4610 5.8084 5.8084 5.8735 5.8735 5.9712 5.9712 6.0175 6.0175 6.4606 6.4606 6.4837 6.4837 8.1668 8.1668 8.2629 8.2629 8.9870 8.9870 9.0123 9.0123 12.3040 12.3040 12.3764 12.3764 13.8853 13.8853 k = 0.3111 0.3693-0.0000 ( 3474 PWs) bands (ev): -2.3140 -2.3140 -2.3131 -2.3131 -0.5082 -0.5082 -0.5011 -0.5011 4.0308 4.0308 4.0664 4.0664 4.8967 4.8967 4.9461 4.9461 5.1948 5.1948 5.2880 5.2880 5.4246 5.4246 5.4750 5.4750 5.8090 5.8090 5.8707 5.8707 5.9747 5.9747 6.0184 6.0184 6.4977 6.4977 6.5223 6.5223 8.2946 8.2946 8.3914 8.3914 9.0365 9.0365 9.0609 9.0609 12.2668 12.2668 12.3402 12.3402 13.8901 13.8901 k = 0.3000 0.3693-0.0000 ( 3474 PWs) bands (ev): -2.3589 -2.3589 -2.3580 -2.3580 -0.5131 -0.5131 -0.5062 -0.5062 3.9940 3.9940 4.0272 4.0272 4.9044 4.9044 4.9510 4.9510 5.2260 5.2260 5.3224 5.3224 5.4473 5.4473 5.4878 5.4878 5.8102 5.8102 5.8673 5.8673 5.9799 5.9799 6.0212 6.0212 6.5399 6.5399 6.5652 6.5652 8.4245 8.4245 8.5222 8.5222 9.0865 9.0865 9.1102 9.1102 12.2332 12.2332 12.3079 12.3079 13.8908 13.8908 k = 0.2889 0.3693-0.0000 ( 3470 PWs) bands (ev): -2.4033 -2.4033 -2.4025 -2.4025 -0.5192 -0.5192 -0.5126 -0.5126 3.9556 3.9556 3.9865 3.9865 4.9103 4.9103 4.9527 4.9527 5.2589 5.2589 5.3589 5.3589 5.4732 5.4732 5.5002 5.5002 5.8118 5.8118 5.8634 5.8634 5.9869 5.9869 6.0259 6.0259 6.5879 6.5879 6.6130 6.6130 8.5563 8.5563 8.6553 8.6553 9.1364 9.1364 9.1599 9.1599 12.2037 12.2037 12.2796 12.2796 13.8874 13.8874 k = 0.2778 0.3693-0.0000 ( 3478 PWs) bands (ev): -2.4472 -2.4472 -2.4464 -2.4464 -0.5264 -0.5264 -0.5200 -0.5200 3.9162 3.9162 3.9448 3.9448 4.9150 4.9150 4.9529 4.9529 5.2894 5.2894 5.3943 5.3943 5.5029 5.5029 5.5134 5.5134 5.8133 5.8133 5.8591 5.8591 5.9957 5.9957 6.0327 6.0327 6.6422 6.6422 6.6662 6.6662 8.6896 8.6896 8.7906 8.7906 9.1859 9.1859 9.2098 9.2098 12.1783 12.1783 12.2555 12.2555 13.8799 13.8799 k = 0.2667 0.3693-0.0000 ( 3486 PWs) bands (ev): -2.4903 -2.4903 -2.4896 -2.4896 -0.5346 -0.5346 -0.5284 -0.5284 3.8761 3.8761 3.9026 3.9026 4.9192 4.9192 4.9529 4.9529 5.3153 5.3153 5.4249 5.4249 5.5292 5.5292 5.5359 5.5359 5.8146 5.8146 5.8544 5.8544 6.0065 6.0065 6.0416 6.0416 6.7037 6.7037 6.7255 6.7255 8.8238 8.8238 8.9277 8.9277 9.2345 9.2345 9.2600 9.2600 12.1574 12.1574 12.2359 12.2359 13.8682 13.8682 k = 0.2556 0.3693-0.0000 ( 3488 PWs) bands (ev): -2.5326 -2.5326 -2.5319 -2.5319 -0.5436 -0.5436 -0.5376 -0.5376 3.8359 3.8359 3.8603 3.8603 4.9234 4.9234 4.9534 4.9534 5.3360 5.3360 5.4478 5.4478 5.5492 5.5492 5.5706 5.5706 5.8155 5.8155 5.8494 5.8494 6.0193 6.0193 6.0525 6.0525 6.7728 6.7728 6.7916 6.7916 8.9574 8.9574 9.0661 9.0661 9.2823 9.2823 9.3112 9.3112 12.1410 12.1410 12.2208 12.2208 13.8522 13.8522 k = 0.2444 0.3693-0.0000 ( 3496 PWs) bands (ev): -2.5738 -2.5738 -2.5731 -2.5731 -0.5533 -0.5533 -0.5476 -0.5476 3.7958 3.7958 3.8183 3.8183 4.9278 4.9278 4.9546 4.9546 5.3522 5.3522 5.4627 5.4627 5.5729 5.5729 5.6048 5.6048 5.8158 5.8158 5.8442 5.8442 6.0339 6.0339 6.0652 6.0652 6.8499 6.8499 6.8651 6.8651 9.0876 9.0876 9.2036 9.2036 9.3307 9.3307 9.3657 9.3657 12.1293 12.1293 12.2102 12.2102 13.8320 13.8320 k = 0.2333 0.3693-0.0000 ( 3496 PWs) bands (ev): -2.6139 -2.6139 -2.6132 -2.6132 -0.5636 -0.5636 -0.5581 -0.5581 3.7563 3.7563 3.7769 3.7769 4.9328 4.9328 4.9568 4.9568 5.3650 5.3650 5.4714 5.4714 5.5978 5.5978 5.6366 5.6366 5.8155 5.8155 5.8389 5.8389 6.0501 6.0501 6.0791 6.0791 6.9353 6.9353 6.9463 6.9463 9.2078 9.2078 9.3245 9.3245 9.3951 9.3951 9.4296 9.4296 12.1221 12.1221 12.2041 12.2041 13.8073 13.8073 k = 0.2222 0.3693-0.0000 ( 3492 PWs) bands (ev): -2.6527 -2.6527 -2.6521 -2.6521 -0.5744 -0.5744 -0.5691 -0.5691 3.7174 3.7174 3.7364 3.7364 4.9383 4.9383 4.9600 4.9600 5.3750 5.3750 5.4762 5.4762 5.6218 5.6218 5.6649 5.6649 5.8145 5.8145 5.8338 5.8338 6.0674 6.0674 6.0937 6.0937 7.0288 7.0288 7.0355 7.0355 9.3057 9.3057 9.3884 9.3884 9.5147 9.5147 9.5151 9.5151 12.1193 12.1193 12.2023 12.2023 13.7782 13.7782 k = 0.2111 0.3693-0.0000 ( 3488 PWs) bands (ev): -2.6901 -2.6901 -2.6895 -2.6895 -0.5855 -0.5855 -0.5805 -0.5805 3.6795 3.6795 3.6970 3.6970 4.9445 4.9445 4.9641 4.9641 5.3830 5.3830 5.4785 5.4785 5.6437 5.6437 5.6889 5.6889 5.8130 5.8130 5.8288 5.8288 6.0852 6.0852 6.1084 6.1084 7.1302 7.1302 7.1324 7.1324 9.3746 9.3746 9.4283 9.4283 9.6271 9.6271 9.6573 9.6573 12.1208 12.1208 12.2045 12.2045 13.7443 13.7443 k = 0.2000 0.3693-0.0000 ( 3490 PWs) bands (ev): -2.7261 -2.7261 -2.7255 -2.7255 -0.5968 -0.5968 -0.5920 -0.5920 3.6428 3.6428 3.6588 3.6588 4.9513 4.9513 4.9691 4.9691 5.3894 5.3894 5.4790 5.4790 5.6630 5.6630 5.7084 5.7084 5.8112 5.8112 5.8244 5.8244 6.1031 6.1031 6.1230 6.1230 7.2368 7.2368 7.2387 7.2387 9.4227 9.4227 9.4615 9.4615 9.7583 9.7583 9.8041 9.8041 12.1261 12.1261 12.2103 12.2103 13.7056 13.7056 k = 0.1889 0.3693-0.0000 ( 3494 PWs) bands (ev): -2.7605 -2.7605 -2.7600 -2.7600 -0.6082 -0.6082 -0.6037 -0.6037 3.6074 3.6074 3.6220 3.6220 4.9586 4.9586 4.9749 4.9749 5.3946 5.3946 5.4783 5.4783 5.6795 5.6795 5.7236 5.7236 5.8092 5.8092 5.8208 5.8208 6.1203 6.1203 6.1368 6.1368 7.3480 7.3480 7.3537 7.3537 9.4590 9.4590 9.4900 9.4900 9.8988 9.8988 9.9527 9.9527 12.1348 12.1348 12.2190 12.2190 13.6618 13.6618 k = 0.1778 0.3693-0.0000 ( 3486 PWs) bands (ev): -2.7933 -2.7933 -2.7929 -2.7929 -0.6195 -0.6195 -0.6153 -0.6153 3.5735 3.5735 3.5868 3.5868 4.9664 4.9664 4.9813 4.9813 5.3988 5.3988 5.4767 5.4767 5.6935 5.6935 5.7346 5.7346 5.8074 5.8074 5.8183 5.8183 6.1366 6.1366 6.1498 6.1498 7.4652 7.4652 7.4743 7.4743 9.4880 9.4880 9.5146 9.5146 10.0439 10.0439 10.1023 10.1023 12.1462 12.1462 12.2301 12.2301 13.6129 13.6129 k = 0.1667 0.3693-0.0000 ( 3486 PWs) bands (ev): -2.8244 -2.8244 -2.8240 -2.8240 -0.6307 -0.6307 -0.6268 -0.6268 3.5411 3.5411 3.5533 3.5533 4.9746 4.9746 4.9883 4.9883 5.4022 5.4022 5.4744 5.4744 5.7048 5.7048 5.7416 5.7416 5.8060 5.8060 5.8173 5.8173 6.1517 6.1517 6.1618 6.1618 7.5875 7.5875 7.5996 7.5996 9.5115 9.5115 9.5354 9.5354 10.1913 10.1913 10.2523 10.2523 12.1598 12.1598 12.2426 12.2426 13.5587 13.5587 k = 0.1556 0.3693-0.0000 ( 3482 PWs) bands (ev): -2.8538 -2.8538 -2.8534 -2.8534 -0.6417 -0.6417 -0.6380 -0.6380 3.5105 3.5105 3.5216 3.5216 4.9831 4.9831 4.9957 4.9957 5.4051 5.4051 5.4717 5.4717 5.7136 5.7136 5.7451 5.7451 5.8052 5.8052 5.8178 5.8178 6.1653 6.1653 6.1726 6.1726 7.7141 7.7141 7.7287 7.7287 9.5307 9.5307 9.5526 9.5526 10.3397 10.3397 10.4022 10.4022 12.1747 12.1747 12.2557 12.2557 13.4993 13.4993 k = 0.1444 0.3693-0.0000 ( 3486 PWs) bands (ev): -2.8814 -2.8814 -2.8810 -2.8810 -0.6523 -0.6523 -0.6489 -0.6489 3.4817 3.4817 3.4917 3.4917 4.9919 4.9919 5.0034 5.0034 5.4074 5.4074 5.4685 5.4685 5.7198 5.7198 5.7457 5.7457 5.8053 5.8053 5.8196 5.8196 6.1774 6.1774 6.1824 6.1824 7.8437 7.8437 7.8605 7.8605 9.5461 9.5461 9.5665 9.5665 10.4882 10.4882 10.5512 10.5512 12.1900 12.1900 12.2683 12.2683 13.4348 13.4348 k = 0.1333 0.3693-0.0000 ( 3494 PWs) bands (ev): -2.9071 -2.9071 -2.9068 -2.9068 -0.6625 -0.6625 -0.6594 -0.6594 3.4547 3.4547 3.4637 3.4637 5.0006 5.0006 5.0112 5.0112 5.4092 5.4092 5.4651 5.4651 5.7237 5.7237 5.7441 5.7441 5.8066 5.8066 5.8222 5.8222 6.1880 6.1880 6.1910 6.1910 7.9755 7.9755 7.9939 7.9939 9.5582 9.5582 9.5773 9.5773 10.6359 10.6359 10.6988 10.6988 12.2049 12.2049 12.2791 12.2791 13.3656 13.3656 k = 0.1222 0.3693-0.0000 ( 3488 PWs) bands (ev): -2.9309 -2.9309 -2.9306 -2.9306 -0.6722 -0.6722 -0.6693 -0.6693 3.4297 3.4297 3.4378 3.4378 5.0094 5.0094 5.0191 5.0191 5.4107 5.4107 5.4614 5.4614 5.7255 5.7255 5.7413 5.7413 5.8088 5.8088 5.8253 5.8253 6.1973 6.1973 6.1988 6.1988 8.1081 8.1081 8.1277 8.1277 9.5673 9.5673 9.5852 9.5852 10.7822 10.7822 10.8442 10.8442 12.2183 12.2183 12.2870 12.2870 13.2923 13.2923 k = 0.1111 0.3693-0.0000 ( 3496 PWs) bands (ev): -2.9528 -2.9528 -2.9525 -2.9525 -0.6813 -0.6813 -0.6786 -0.6786 3.4067 3.4067 3.4139 3.4139 5.0181 5.0181 5.0268 5.0268 5.4120 5.4120 5.4576 5.4576 5.7257 5.7257 5.7376 5.7376 5.8118 5.8118 5.8284 5.8284 6.2052 6.2052 6.2056 6.2056 8.2403 8.2403 8.2608 8.2608 9.5737 9.5737 9.5905 9.5905 10.9262 10.9262 10.9864 10.9864 12.2295 12.2295 12.2906 12.2906 13.2160 13.2160 k = 0.1000 0.3693-0.0000 ( 3496 PWs) bands (ev): -2.9727 -2.9727 -2.9724 -2.9724 -0.6897 -0.6897 -0.6873 -0.6873 3.3858 3.3858 3.3922 3.3922 5.0265 5.0265 5.0344 5.0344 5.4130 5.4130 5.4537 5.4537 5.7246 5.7246 5.7336 5.7336 5.8154 5.8154 5.8314 5.8314 6.2113 6.2113 6.2122 6.2122 8.3708 8.3708 8.3916 8.3916 9.5777 9.5777 9.5934 9.5934 11.0670 11.0670 11.1244 11.1244 12.2376 12.2376 12.2887 12.2887 13.1379 13.1379 k = 0.0889 0.3693-0.0000 ( 3496 PWs) bands (ev): -2.9905 -2.9905 -2.9903 -2.9903 -0.6974 -0.6974 -0.6952 -0.6952 3.3670 3.3670 3.3726 3.3726 5.0345 5.0345 5.0416 5.0416 5.4139 5.4139 5.4499 5.4499 5.7228 5.7228 5.7295 5.7295 5.8191 5.8191 5.8341 5.8341 6.2163 6.2163 6.2179 6.2179 8.4981 8.4981 8.5188 8.5188 9.5794 9.5794 9.5940 9.5940 11.2038 11.2038 11.2569 11.2569 12.2418 12.2418 12.2801 12.2801 13.0599 13.0599 k = 0.0778 0.3693-0.0000 ( 3488 PWs) bands (ev): -3.0064 -3.0064 -3.0062 -3.0062 -0.7042 -0.7042 -0.7024 -0.7024 3.3504 3.3504 3.3552 3.3552 5.0421 5.0421 5.0483 5.0483 5.4149 5.4149 5.4461 5.4461 5.7206 5.7206 5.7255 5.7255 5.8230 5.8230 5.8365 5.8365 6.2207 6.2207 6.2226 6.2226 8.6203 8.6203 8.6404 8.6404 9.5791 9.5791 9.5924 9.5924 11.3356 11.3356 11.3825 11.3825 12.2417 12.2417 12.2640 12.2640 12.9839 12.9839 k = 0.0667 0.3693-0.0000 ( 3480 PWs) bands (ev): -3.0201 -3.0201 -3.0200 -3.0200 -0.7103 -0.7103 -0.7087 -0.7087 3.3360 3.3360 3.3401 3.3401 5.0490 5.0490 5.0544 5.0544 5.4158 5.4158 5.4423 5.4423 5.7183 5.7183 5.7218 5.7218 5.8266 5.8266 5.8385 5.8385 6.2244 6.2244 6.2265 6.2265 8.7357 8.7357 8.7546 8.7546 9.5769 9.5769 9.5888 9.5888 11.4611 11.4611 11.4995 11.4995 12.2369 12.2369 12.2405 12.2405 12.9124 12.9124 k = 0.0556 0.3693-0.0000 ( 3480 PWs) bands (ev): -3.0318 -3.0318 -3.0317 -3.0317 -0.7155 -0.7155 -0.7141 -0.7141 3.3238 3.3238 3.3271 3.3271 5.0551 5.0551 5.0596 5.0596 5.4168 5.4168 5.4388 5.4388 5.7160 5.7160 5.7185 5.7185 5.8300 5.8300 5.8400 5.8400 6.2274 6.2274 6.2295 6.2295 8.8419 8.8419 8.8590 8.8590 9.5729 9.5729 9.5833 9.5833 11.5792 11.5792 11.6060 11.6060 12.2104 12.2104 12.2275 12.2275 12.8482 12.8482 k = 0.0444 0.3693-0.0000 ( 3476 PWs) bands (ev): -3.0414 -3.0414 -3.0413 -3.0413 -0.7197 -0.7197 -0.7187 -0.7187 3.3138 3.3138 3.3165 3.3165 5.0604 5.0604 5.0641 5.0641 5.4179 5.4179 5.4354 5.4354 5.7138 5.7138 5.7156 5.7156 5.8331 5.8331 5.8412 5.8412 6.2300 6.2300 6.2318 6.2318 8.9365 8.9365 8.9512 8.9512 9.5674 9.5674 9.5761 9.5761 11.6879 11.6879 11.7000 11.7000 12.1756 12.1756 12.2133 12.2133 12.7941 12.7941 k = 0.0333 0.3693-0.0000 ( 3474 PWs) bands (ev): -3.0489 -3.0489 -3.0488 -3.0488 -0.7230 -0.7230 -0.7222 -0.7222 3.3061 3.3061 3.3081 3.3081 5.0648 5.0648 5.0675 5.0675 5.4192 5.4192 5.4323 5.4323 5.7121 5.7121 5.7133 5.7133 5.8357 5.8357 5.8418 5.8418 6.2319 6.2319 6.2334 6.2334 9.0165 9.0165 9.0281 9.0281 9.5609 9.5609 9.5677 9.5677 11.7801 11.7801 11.7849 11.7849 12.1395 12.1395 12.1938 12.1938 12.7536 12.7536 k = 0.0222 0.3693-0.0000 ( 3468 PWs) bands (ev): -3.0542 -3.0542 -3.0542 -3.0542 -0.7254 -0.7254 -0.7248 -0.7248 3.3007 3.3007 3.3020 3.3020 5.0681 5.0681 5.0699 5.0699 5.4207 5.4207 5.4294 5.4294 5.7109 5.7109 5.7116 5.7116 5.8380 5.8380 5.8420 5.8420 6.2334 6.2334 6.2345 6.2345 9.0784 9.0784 9.0866 9.0866 9.5545 9.5545 9.5592 9.5592 11.8454 11.8454 11.8653 11.8653 12.1073 12.1073 12.1681 12.1681 12.7295 12.7295 k = 0.0111 0.3693-0.0000 ( 3468 PWs) bands (ev): -3.0574 -3.0574 -3.0574 -3.0574 -0.7267 -0.7267 -0.7265 -0.7265 3.2976 3.2976 3.2982 3.2982 5.0702 5.0702 5.0712 5.0712 5.4224 5.4224 5.4268 5.4268 5.7101 5.7101 5.7106 5.7106 5.8397 5.8397 5.8418 5.8418 6.2344 6.2344 6.2350 6.2350 9.1187 9.1187 9.1229 9.1229 9.5499 9.5499 9.5523 9.5523 11.8950 11.8950 11.9172 11.9172 12.0907 12.0907 12.1362 12.1362 12.7238 12.7238 k = 0.0000 0.3693-0.0000 ( 3472 PWs) bands (ev): -3.0585 -3.0585 -3.0585 -3.0585 -0.7271 -0.7271 -0.7271 -0.7271 3.2967 3.2967 3.2968 3.2968 5.0711 5.0711 5.0714 5.0714 5.4243 5.4243 5.4246 5.4246 5.7099 5.7099 5.7102 5.7102 5.8408 5.8408 5.8411 5.8411 6.2348 6.2348 6.2351 6.2351 9.1340 9.1340 9.1341 9.1341 9.5489 9.5489 9.5489 9.5489 11.9243 11.9243 11.9244 11.9244 12.1040 12.1040 12.1041 12.1041 12.7357 12.7357 k = 0.0000 0.3693-0.0000 ( 3472 PWs) bands (ev): -3.0585 -3.0585 -3.0585 -3.0585 -0.7271 -0.7271 -0.7271 -0.7271 3.2967 3.2967 3.2968 3.2968 5.0711 5.0711 5.0714 5.0714 5.4243 5.4243 5.4246 5.4246 5.7099 5.7099 5.7102 5.7102 5.8408 5.8408 5.8411 5.8411 6.2348 6.2348 6.2351 6.2351 9.1340 9.1340 9.1341 9.1341 9.5489 9.5489 9.5489 9.5489 11.9243 11.9243 11.9244 11.9244 12.1040 12.1040 12.1041 12.1041 12.7357 12.7357 k = 0.0000 0.3581-0.0000 ( 3468 PWs) bands (ev): -3.1453 -3.1453 -2.9695 -2.9695 -0.7520 -0.7520 -0.7034 -0.7034 3.2943 3.2943 3.3039 3.3039 5.0702 5.0702 5.0727 5.0727 5.4137 5.4137 5.4344 5.4344 5.6957 5.6957 5.7235 5.7235 5.8360 5.8360 5.8462 5.8462 6.2246 6.2246 6.2457 6.2457 8.9803 8.9803 9.2828 9.2828 9.4433 9.4433 9.6564 9.6564 11.8832 11.8832 11.9548 11.9548 12.0374 12.0374 12.1745 12.1745 12.7173 12.7173 k = 0.0000 0.3469-0.0000 ( 3468 PWs) bands (ev): -3.2297 -3.2297 -2.8784 -2.8784 -0.7780 -0.7780 -0.6811 -0.6811 3.2967 3.2967 3.3156 3.3156 5.0695 5.0695 5.0745 5.0745 5.4027 5.4027 5.4432 5.4432 5.6806 5.6806 5.7359 5.7359 5.8313 5.8313 5.8518 5.8518 6.2145 6.2145 6.2569 6.2569 8.8234 8.8234 9.3390 9.3390 9.4255 9.4255 9.7657 9.7657 11.8332 11.8332 11.9356 11.9356 12.0201 12.0201 12.2405 12.2405 12.7038 12.7038 k = 0.0000 0.3357-0.0000 ( 3460 PWs) bands (ev): -3.3119 -3.3119 -2.7852 -2.7852 -0.8047 -0.8047 -0.6603 -0.6603 3.3042 3.3042 3.3316 3.3316 5.0693 5.0693 5.0767 5.0767 5.3916 5.3916 5.4498 5.4498 5.6655 5.6655 5.7474 5.7474 5.8270 5.8270 5.8575 5.8575 6.2049 6.2049 6.2686 6.2686 8.6651 8.6651 9.2377 9.2377 9.5585 9.5585 9.8761 9.8761 11.7693 11.7693 11.8790 11.8790 12.0470 12.0470 12.2993 12.2993 12.6968 12.6968 k = 0.0000 0.3245-0.0000 ( 3464 PWs) bands (ev): -3.3916 -3.3916 -2.6902 -2.6902 -0.8320 -0.8320 -0.6411 -0.6411 3.3169 3.3169 3.3515 3.3515 5.0693 5.0693 5.0791 5.0791 5.3805 5.3805 5.4529 5.4529 5.6508 5.6508 5.7578 5.7578 5.8231 5.8231 5.8635 5.8635 6.1955 6.1955 6.2808 6.2808 8.5069 8.5069 9.1383 9.1383 9.6809 9.6809 9.9869 9.9869 11.6896 11.6896 11.8284 11.8284 12.0783 12.0783 12.3492 12.3492 12.6980 12.6980 k = 0.0000 0.3133-0.0000 ( 3478 PWs) bands (ev): -3.4689 -3.4689 -2.5933 -2.5933 -0.8596 -0.8596 -0.6237 -0.6237 3.3347 3.3347 3.3751 3.3751 5.0695 5.0695 5.0819 5.0819 5.3695 5.3695 5.4507 5.4507 5.6382 5.6382 5.7674 5.7674 5.8195 5.8195 5.8696 5.8696 6.1862 6.1862 6.2936 6.2936 8.3503 8.3503 9.0411 9.0411 9.7903 9.7903 10.0971 10.0971 11.5987 11.5987 11.7849 11.7849 12.1095 12.1095 12.3901 12.3901 12.7080 12.7080 k = 0.0000 0.3021-0.0000 ( 3484 PWs) bands (ev): -3.5438 -3.5438 -2.4949 -2.4949 -0.8872 -0.8872 -0.6081 -0.6081 3.3578 3.3578 3.4021 3.4021 5.0701 5.0701 5.0850 5.0850 5.3584 5.3584 5.4413 5.4413 5.6293 5.6293 5.7761 5.7761 5.8164 5.8164 5.8758 5.8758 6.1774 6.1774 6.3071 6.3071 8.1966 8.1966 8.9460 8.9460 9.8843 9.8843 10.2056 10.2056 11.5009 11.5009 11.7459 11.7459 12.1400 12.1400 12.4234 12.4234 12.7262 12.7262 k = 0.0000 0.2910-0.0000 ( 3480 PWs) bands (ev): -3.6161 -3.6161 -2.3952 -2.3952 -0.9143 -0.9143 -0.5943 -0.5943 3.3861 3.3861 3.4321 3.4321 5.0711 5.0711 5.0884 5.0884 5.3470 5.3470 5.4233 5.4233 5.6253 5.6253 5.7841 5.7841 5.8138 5.8138 5.8823 5.8823 6.1687 6.1687 6.3214 6.3214 8.0473 8.0473 8.8532 8.8532 9.9599 9.9599 10.3115 10.3115 11.3983 11.3983 11.7106 11.7106 12.1696 12.1696 12.4521 12.4521 12.7507 12.7507 k = 0.0000 0.2798-0.0000 ( 3486 PWs) bands (ev): -3.6858 -3.6858 -2.2944 -2.2944 -0.9407 -0.9407 -0.5823 -0.5823 3.4194 3.4194 3.4647 3.4647 5.0721 5.0721 5.0921 5.0921 5.3333 5.3333 5.3978 5.3978 5.6261 5.6261 5.7913 5.7913 5.8118 5.8118 5.8889 5.8889 6.1603 6.1603 6.3366 6.3366 7.9039 7.9039 8.7628 8.7628 10.0145 10.0145 10.4143 10.4143 11.2923 11.2923 11.6791 11.6791 12.1982 12.1982 12.4786 12.4786 12.7803 12.7803 k = 0.0000 0.2686-0.0000 ( 3490 PWs) bands (ev): -3.7530 -3.7530 -2.1930 -2.1930 -0.9657 -0.9657 -0.5722 -0.5722 3.4576 3.4576 3.4997 3.4997 5.0731 5.0731 5.0959 5.0959 5.3124 5.3124 5.3707 5.3707 5.6307 5.6307 5.7977 5.7977 5.8105 5.8105 5.8955 5.8955 6.1522 6.1522 6.3527 6.3527 7.7676 7.7676 8.6747 8.6747 10.0453 10.0453 10.5129 10.5129 11.1834 11.1834 11.6526 11.6526 12.2255 12.2255 12.5040 12.5040 12.8145 12.8145 k = 0.0000 0.2574-0.0000 ( 3498 PWs) bands (ev): -3.8176 -3.8176 -2.0917 -2.0917 -0.9888 -0.9888 -0.5637 -0.5637 3.5004 3.5004 3.5367 3.5367 5.0737 5.0737 5.0997 5.0997 5.2757 5.2757 5.3512 5.3512 5.6379 5.6379 5.8028 5.8028 5.8105 5.8105 5.9023 5.9023 6.1443 6.1443 6.3698 6.3698 7.6398 7.6398 8.5890 8.5890 10.0512 10.0512 10.6056 10.6056 11.0727 11.0727 11.6326 11.6326 12.2511 12.2511 12.5269 12.5269 12.8541 12.8541 k = 0.0000 0.2462-0.0000 ( 3494 PWs) bands (ev): -3.8796 -3.8796 -1.9912 -1.9912 -1.0089 -1.0089 -0.5569 -0.5569 3.5472 3.5472 3.5755 3.5755 5.0729 5.0729 5.1034 5.1034 5.2243 5.2243 5.3402 5.3402 5.6466 5.6466 5.8055 5.8055 5.8129 5.8129 5.9090 5.9090 6.1368 6.1368 6.3880 6.3880 7.5219 7.5219 8.5058 8.5058 10.0322 10.0322 10.6880 10.6880 10.9627 10.9627 11.6217 11.6217 12.2743 12.2743 12.5449 12.5449 12.8976 12.8976 k = 0.0000 0.2350-0.0000 ( 3494 PWs) bands (ev): -3.9389 -3.9389 -1.8928 -1.8928 -1.0248 -1.0248 -0.5517 -0.5517 3.5968 3.5968 3.6167 3.6167 5.0664 5.0664 5.1061 5.1061 5.1674 5.1674 5.3339 5.3339 5.6562 5.6562 5.8066 5.8066 5.8171 5.8171 5.9158 5.9158 6.1296 6.1296 6.4072 6.4072 7.4150 7.4150 8.4252 8.4252 9.9894 9.9894 10.7414 10.7414 10.8693 10.8693 11.6229 11.6229 12.2951 12.2951 12.5561 12.5561 12.9388 12.9388 k = 0.0000 0.2238-0.0000 ( 3498 PWs) bands (ev): -3.9956 -3.9956 -1.7985 -1.7985 -1.0345 -1.0345 -0.5480 -0.5480 3.6447 3.6447 3.6638 3.6638 5.0347 5.0347 5.1043 5.1043 5.1301 5.1301 5.3305 5.3305 5.6661 5.6661 5.8075 5.8075 5.8216 5.8216 5.9224 5.9224 6.1227 6.1227 6.4273 6.4273 7.3200 7.3200 8.3472 8.3472 9.9253 9.9253 10.6896 10.6896 10.8658 10.8658 11.6395 11.6395 12.3132 12.3132 12.5603 12.5603 12.9717 12.9717 k = 0.0000 0.2126-0.0000 ( 3498 PWs) bands (ev): -4.0495 -4.0495 -1.7109 -1.7109 -1.0355 -1.0355 -0.5456 -0.5456 3.6874 3.6874 3.7193 3.7193 4.9633 4.9633 5.1006 5.1006 5.1254 5.1254 5.3295 5.3295 5.6759 5.6759 5.8089 5.8089 5.8260 5.8260 5.9290 5.9290 6.1162 6.1162 6.4481 6.4481 7.2379 7.2379 8.2720 8.2720 9.8424 9.8424 10.5784 10.5784 10.9035 10.9035 11.6743 11.6743 12.3285 12.3285 12.5587 12.5587 12.9960 12.9960 k = 0.0000 0.2014-0.0000 ( 3490 PWs) bands (ev): -4.1008 -4.1008 -1.6338 -1.6338 -1.0239 -1.0239 -0.5443 -0.5443 3.7272 3.7272 3.7799 3.7799 4.8724 4.8724 5.1006 5.1006 5.1283 5.1283 5.3311 5.3311 5.6855 5.6855 5.8107 5.8107 5.8302 5.8302 5.9355 5.9355 6.1104 6.1104 6.4691 6.4691 7.1693 7.1693 8.1995 8.1995 9.7436 9.7436 10.4578 10.4578 10.9319 10.9319 11.7278 11.7278 12.3411 12.3411 12.5532 12.5532 13.0145 13.0145 k = 0.0000 0.1902-0.0000 ( 3480 PWs) bands (ev): -4.1494 -4.1494 -1.5714 -1.5714 -0.9957 -0.9957 -0.5442 -0.5442 3.7650 3.7650 3.8431 3.8431 4.7714 4.7714 5.1024 5.1024 5.1326 5.1326 5.3351 5.3351 5.6946 5.6946 5.8131 5.8131 5.8343 5.8343 5.9416 5.9416 6.1052 6.1052 6.4897 6.4897 7.1149 7.1149 8.1300 8.1300 9.6317 9.6317 10.3336 10.3336 10.9470 10.9470 11.7984 11.7984 12.3508 12.3508 12.5454 12.5454 13.0292 13.0292 k = 0.0000 0.1790-0.0000 ( 3480 PWs) bands (ev): -4.1953 -4.1953 -1.5265 -1.5265 -0.9482 -0.9482 -0.5449 -0.5449 3.8002 3.8002 3.9080 3.9080 4.6640 4.6640 5.1050 5.1050 5.1373 5.1373 5.3419 5.3419 5.7031 5.7031 5.8158 5.8158 5.8384 5.8384 5.9475 5.9475 6.1006 6.1006 6.5089 6.5089 7.0752 7.0752 8.0634 8.0634 9.5092 9.5092 10.2073 10.2073 10.9504 10.9504 11.8826 11.8826 12.3575 12.3575 12.5371 12.5371 13.0412 13.0412 k = 0.0000 0.1679-0.0000 ( 3483 PWs) bands (ev): -4.2384 -4.2384 -1.4988 -1.4988 -0.8819 -0.8819 -0.5465 -0.5465 3.8314 3.8314 3.9737 3.9737 4.5529 4.5529 5.1080 5.1080 5.1420 5.1420 5.3518 5.3518 5.7111 5.7111 5.8190 5.8190 5.8426 5.8426 5.9531 5.9531 6.0968 6.0968 6.5255 6.5255 7.0507 7.0507 8.0000 8.0000 9.3785 9.3785 10.0796 10.0796 10.9454 10.9454 11.9766 11.9766 12.3614 12.3614 12.5293 12.5293 13.0511 13.0511 k = 0.0000 0.1567-0.0000 ( 3487 PWs) bands (ev): -4.2788 -4.2788 -1.4850 -1.4850 -0.8003 -0.8003 -0.5486 -0.5486 3.8561 3.8561 4.0390 4.0390 4.4423 4.4423 5.1111 5.1111 5.1468 5.1468 5.3651 5.3651 5.7183 5.7183 5.8225 5.8225 5.8470 5.8470 5.9583 5.9583 6.0939 6.0939 6.5386 6.5386 7.0418 7.0418 7.9398 7.9398 9.2417 9.2417 9.9508 9.9508 10.9347 10.9347 12.0771 12.0771 12.3624 12.3624 12.5229 12.5229 13.0594 13.0594 k = 0.0000 0.1455-0.0000 ( 3489 PWs) bands (ev): -4.3165 -4.3165 -1.4811 -1.4811 -0.7080 -0.7080 -0.5513 -0.5513 3.8697 3.8697 4.1032 4.1032 4.3379 4.3379 5.1144 5.1144 5.1514 5.1514 5.3820 5.3820 5.7249 5.7249 5.8263 5.8263 5.8517 5.8517 5.9632 5.9632 6.0921 6.0921 6.5476 6.5476 7.0481 7.0481 7.8831 7.8831 9.1005 9.1005 9.8213 9.8213 10.9203 10.9203 12.1808 12.1808 12.3617 12.3617 12.5183 12.5183 13.0663 13.0663 k = 0.0000 0.1343-0.0000 ( 3497 PWs) bands (ev): -4.3514 -4.3514 -1.4834 -1.4834 -0.6089 -0.6089 -0.5542 -0.5542 3.8630 3.8630 4.1649 4.1649 4.2503 4.2503 5.1176 5.1176 5.1559 5.1559 5.4027 5.4027 5.7309 5.7309 5.8301 5.8301 5.8569 5.8569 5.9679 5.9679 6.0916 6.0916 6.5526 6.5526 7.0686 7.0686 7.8298 7.8298 8.9566 8.9566 9.6917 9.6917 10.9039 10.9039 12.2814 12.2814 12.3635 12.3635 12.5155 12.5155 13.0721 13.0721 k = 0.0000 0.1231-0.0000 ( 3501 PWs) bands (ev): -4.3835 -4.3835 -1.4894 -1.4894 -0.5578 -0.5578 -0.5057 -0.5057 3.8241 3.8241 4.1902 4.1902 4.2257 4.2257 5.1207 5.1207 5.1603 5.1603 5.4272 5.4272 5.7363 5.7363 5.8339 5.8339 5.8628 5.8628 5.9724 5.9724 6.0928 6.0928 6.5542 6.5542 7.1018 7.1018 7.7804 7.7804 8.8116 8.8116 9.5622 9.5622 10.8865 10.8865 12.3339 12.3339 12.4119 12.4119 12.5143 12.5143 13.0770 13.0770 k = 0.0000 0.1119-0.0000 ( 3493 PWs) bands (ev): -4.4128 -4.4128 -1.4975 -1.4975 -0.5610 -0.5610 -0.4016 -0.4016 3.7508 3.7508 4.1662 4.1662 4.2797 4.2797 5.1238 5.1238 5.1644 5.1644 5.4550 5.4550 5.7412 5.7412 5.8379 5.8379 5.8693 5.8693 5.9768 5.9768 6.0962 6.0962 6.5536 6.5536 7.1457 7.1457 7.7349 7.7349 8.6669 8.6669 9.4334 9.4334 10.8691 10.8691 12.3338 12.3338 12.5059 12.5059 12.5190 12.5190 13.0810 13.0810 k = 0.0000 0.1007-0.0000 ( 3483 PWs) bands (ev): -4.4394 -4.4394 -1.5065 -1.5065 -0.5644 -0.5644 -0.2979 -0.2979 3.6556 3.6556 4.1637 4.1637 4.3296 4.3296 5.1266 5.1266 5.1682 5.1682 5.4855 5.4855 5.7456 5.7456 5.8418 5.8418 5.8765 5.8765 5.9812 5.9812 6.1023 6.1023 6.5515 6.5515 7.1983 7.1983 7.6938 7.6938 8.5240 8.5240 9.3059 9.3059 10.8521 10.8521 12.3276 12.3276 12.5137 12.5137 12.6133 12.6133 13.0844 13.0844 k = 0.0000 0.0895-0.0000 ( 3483 PWs) bands (ev): -4.4632 -4.4632 -1.5156 -1.5156 -0.5677 -0.5677 -0.1967 -0.1967 3.5514 3.5514 4.1718 4.1718 4.3742 4.3742 5.1292 5.1292 5.1717 5.1717 5.5173 5.5173 5.7494 5.7494 5.8456 5.8456 5.8842 5.8842 5.9855 5.9855 6.1119 6.1119 6.5486 6.5486 7.2575 7.2575 7.6576 7.6576 8.3845 8.3845 9.1802 9.1802 10.8361 10.8361 12.3204 12.3204 12.5148 12.5148 12.7115 12.7115 13.0873 13.0873 k = 0.0000 0.0783-0.0000 ( 3481 PWs) bands (ev): -4.4842 -4.4842 -1.5245 -1.5245 -0.5708 -0.5708 -0.0997 -0.0997 3.4467 3.4467 4.1840 4.1840 4.4132 4.4132 5.1316 5.1316 5.1748 5.1748 5.5489 5.5489 5.7528 5.7528 5.8493 5.8493 5.8923 5.8923 5.9897 5.9897 6.1260 6.1260 6.5455 6.5455 7.3210 7.3210 7.6273 7.6273 8.2502 8.2502 9.0571 9.0571 10.8213 10.8213 12.3132 12.3132 12.5159 12.5159 12.8043 12.8043 13.0897 13.0897 k = 0.0000 0.0671-0.0000 ( 3485 PWs) bands (ev): -4.5024 -4.5024 -1.5327 -1.5327 -0.5736 -0.5736 -0.0087 -0.0087 3.3464 3.3464 4.1970 4.1970 4.4463 4.4463 5.1336 5.1336 5.1776 5.1776 5.5784 5.5784 5.7557 5.7557 5.8527 5.8527 5.9001 5.9001 5.9937 5.9937 6.1453 6.1453 6.5426 6.5426 7.3848 7.3848 7.6052 7.6052 8.1229 8.1229 8.9378 8.9378 10.8081 10.8081 12.3065 12.3065 12.5171 12.5171 12.8899 12.8899 13.0918 13.0918 k = 0.0000 0.0560-0.0000 ( 3489 PWs) bands (ev): -4.5178 -4.5178 -1.5400 -1.5400 -0.5762 -0.5762 0.0740 0.0740 3.2543 3.2543 4.2094 4.2094 4.4737 4.4737 5.1353 5.1353 5.1800 5.1800 5.6044 5.6044 5.7581 5.7581 5.8559 5.8559 5.9073 5.9073 5.9974 5.9974 6.1699 6.1699 6.5399 6.5399 7.4410 7.4410 7.5979 7.5979 8.0052 8.0052 8.8236 8.8236 10.7966 10.7966 12.3005 12.3005 12.5182 12.5182 12.9664 12.9664 13.0936 13.0936 k = 0.0000 0.0448-0.0000 ( 3485 PWs) bands (ev): -4.5304 -4.5304 -1.5461 -1.5461 -0.5783 -0.5783 0.1463 0.1463 3.1735 3.1735 4.2202 4.2202 4.4956 4.4956 5.1368 5.1368 5.1819 5.1819 5.6258 5.6258 5.7601 5.7601 5.8587 5.8587 5.9135 5.9135 6.0005 6.0005 6.1985 6.1985 6.5377 6.5377 7.4745 7.4745 7.6179 7.6179 7.9001 7.9001 8.7168 8.7168 10.7871 10.7871 12.2955 12.2955 12.5192 12.5192 13.0320 13.0320 13.0953 13.0953 k = 0.0000 0.0336-0.0000 ( 3493 PWs) bands (ev): -4.5403 -4.5403 -1.5510 -1.5510 -0.5800 -0.5800 0.2059 0.2059 3.1068 3.1068 4.2290 4.2290 4.5122 4.5122 5.1379 5.1379 5.1835 5.1835 5.6421 5.6421 5.7616 5.7616 5.8609 5.8609 5.9183 5.9183 6.0029 6.0029 6.2282 6.2282 6.5359 6.5359 7.4828 7.4828 7.6641 7.6641 7.8114 7.8114 8.6208 8.6208 10.7795 10.7795 12.2915 12.2915 12.5200 12.5200 13.0828 13.0828 13.0989 13.0989 k = 0.0000 0.0224-0.0000 ( 3487 PWs) bands (ev): -4.5473 -4.5473 -1.5546 -1.5546 -0.5813 -0.5813 0.2505 0.2505 3.0571 3.0571 4.2354 4.2354 4.5238 4.5238 5.1387 5.1387 5.1846 5.1846 5.6535 5.6535 5.7627 5.7627 5.8626 5.8626 5.9217 5.9217 6.0046 6.0046 6.2545 6.2545 6.5346 6.5346 7.4813 7.4813 7.7133 7.7133 7.7456 7.7456 8.5414 8.5414 10.7741 10.7741 12.2886 12.2886 12.5206 12.5206 13.0951 13.0951 13.1268 13.1268 k = 0.0000 0.0112-0.0000 ( 3491 PWs) bands (ev): -4.5515 -4.5515 -1.5567 -1.5567 -0.5820 -0.5820 0.2781 0.2781 3.0262 3.0262 4.2393 4.2393 4.5307 4.5307 5.1392 5.1392 5.1853 5.1853 5.6601 5.6601 5.7634 5.7634 5.8636 5.8636 5.9237 5.9237 6.0056 6.0056 6.2729 6.2729 6.5338 6.5338 7.4788 7.4788 7.6967 7.6967 7.7583 7.7583 8.4869 8.4869 10.7708 10.7708 12.2868 12.2868 12.5209 12.5209 13.0962 13.0962 13.1504 13.1504 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -4.5529 -4.5529 -1.5574 -1.5574 -0.5823 -0.5823 0.2875 0.2875 3.0158 3.0158 4.2407 4.2407 4.5330 4.5330 5.1394 5.1394 5.1856 5.1856 5.6623 5.6623 5.7636 5.7636 5.8640 5.8640 5.9243 5.9243 6.0059 6.0059 6.2795 6.2795 6.5335 6.5335 7.4778 7.4778 7.6822 7.6822 7.7728 7.7728 8.4672 8.4672 10.7697 10.7697 12.2862 12.2862 12.5210 12.5210 13.0964 13.0964 13.1584 13.1584 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -4.5529 -4.5529 -1.5574 -1.5574 -0.5823 -0.5823 0.2875 0.2875 3.0158 3.0158 4.2407 4.2407 4.5330 4.5330 5.1394 5.1394 5.1856 5.1856 5.6623 5.6623 5.7636 5.7636 5.8640 5.8640 5.9243 5.9243 6.0059 6.0059 6.2795 6.2795 6.5335 6.5335 7.4778 7.4778 7.6822 7.6822 7.7728 7.7728 8.4672 8.4672 10.7697 10.7697 12.2862 12.2862 12.5210 12.5210 13.0964 13.0964 13.1584 13.1584 k = 0.0000 0.0000 0.0109 ( 3483 PWs) bands (ev): -4.5516 -4.5516 -1.5665 -1.5665 -0.5747 -0.5747 0.2878 0.2878 3.0174 3.0174 4.2427 4.2427 4.5330 4.5330 5.1395 5.1395 5.1856 5.1856 5.6605 5.6605 5.7621 5.7621 5.8635 5.8635 5.9234 5.9234 6.0048 6.0048 6.2797 6.2797 6.5354 6.5354 7.4743 7.4743 7.6136 7.6136 7.8498 7.8498 8.4710 8.4710 10.7638 10.7638 12.2752 12.2752 12.5222 12.5222 13.0938 13.0938 13.1587 13.1587 k = 0.0000 0.0000 0.0218 ( 3483 PWs) bands (ev): -4.5478 -4.5478 -1.5930 -1.5930 -0.5528 -0.5528 0.2888 0.2888 3.0222 3.0222 4.2489 4.2489 4.5331 4.5331 5.1397 5.1397 5.1856 5.1856 5.6549 5.6549 5.7575 5.7575 5.8620 5.8620 5.9206 5.9206 6.0015 6.0015 6.2802 6.2802 6.5408 6.5408 7.4462 7.4462 7.5437 7.5437 7.9627 7.9627 8.4824 8.4824 10.7463 10.7463 12.2412 12.2412 12.5275 12.5275 13.0853 13.0853 13.1594 13.1594 k = 0.0000 0.0000 0.0327 ( 3483 PWs) bands (ev): -4.5414 -4.5414 -1.6345 -1.6345 -0.5189 -0.5189 0.2904 0.2904 3.0302 3.0302 4.2592 4.2592 4.5332 4.5332 5.1401 5.1401 5.1858 5.1858 5.6455 5.6455 5.7497 5.7497 5.8596 5.8596 5.9162 5.9162 5.9967 5.9967 6.2809 6.2809 6.5493 6.5493 7.3680 7.3680 7.5288 7.5288 8.0803 8.0803 8.5012 8.5012 10.7179 10.7179 12.1841 12.1841 12.5396 12.5396 13.0695 13.0695 13.1606 13.1606 k = 0.0000 0.0000 0.0436 ( 3491 PWs) bands (ev): -4.5325 -4.5325 -1.6881 -1.6881 -0.4758 -0.4758 0.2926 0.2926 3.0414 3.0414 4.2735 4.2735 4.5332 4.5332 5.1405 5.1405 5.1859 5.1859 5.6318 5.6318 5.7386 5.7386 5.8565 5.8565 5.9103 5.9103 5.9910 5.9910 6.2818 6.2818 6.5606 6.5606 7.2747 7.2747 7.5368 7.5368 8.1994 8.1994 8.5275 8.5275 10.6795 10.6795 12.1062 12.1062 12.5592 12.5592 13.0447 13.0447 13.1622 13.1622 k = 0.0000 0.0000 0.0545 ( 3487 PWs) bands (ev): -4.5211 -4.5211 -1.7512 -1.7512 -0.4263 -0.4263 0.2954 0.2954 3.0555 3.0555 4.2920 4.2920 4.5332 4.5332 5.1412 5.1412 5.1861 5.1861 5.6138 5.6138 5.7242 5.7242 5.8530 5.8530 5.9033 5.9033 5.9848 5.9848 6.2828 6.2828 6.5739 6.5739 7.1828 7.1828 7.5526 7.5526 8.3182 8.3182 8.5612 8.5612 10.6321 10.6321 12.0117 12.0117 12.5851 12.5851 13.0102 13.0102 13.1642 13.1642 k = 0.0000 0.0000 0.0655 ( 3483 PWs) bands (ev): -4.5071 -4.5071 -1.8214 -1.8214 -0.3728 -0.3728 0.2988 0.2988 3.0725 3.0725 4.3146 4.3146 4.5332 4.5332 5.1420 5.1420 5.1864 5.1864 5.5910 5.5910 5.7068 5.7068 5.8493 5.8493 5.8956 5.8956 5.9786 5.9786 6.2839 6.2839 6.5888 6.5888 7.0956 7.0956 7.5735 7.5735 8.4350 8.4350 8.6022 8.6022 10.5770 10.5770 11.9051 11.9051 12.6153 12.6153 12.9663 12.9663 13.1666 13.1666 k = 0.0000 0.0000 0.0764 ( 3479 PWs) bands (ev): -4.4905 -4.4905 -1.8968 -1.8968 -0.3172 -0.3172 0.3028 0.3028 3.0921 3.0921 4.3412 4.3412 4.5329 4.5329 5.1429 5.1429 5.1867 5.1867 5.5631 5.5631 5.6869 5.6869 5.8455 5.8455 5.8876 5.8876 5.9725 5.9725 6.2851 6.2851 6.6047 6.6047 7.0145 7.0145 7.5987 7.5987 8.5475 8.5475 8.6512 8.6512 10.5153 10.5153 11.7907 11.7907 12.6468 12.6468 12.9150 12.9150 13.1695 13.1695 k = 0.0000 0.0000 0.0873 ( 3477 PWs) bands (ev): -4.4715 -4.4715 -1.9760 -1.9760 -0.2607 -0.2607 0.3072 0.3072 3.1144 3.1144 4.3717 4.3717 4.5322 4.5322 5.1440 5.1440 5.1870 5.1870 5.5301 5.5301 5.6650 5.6650 5.8417 5.8417 5.8795 5.8795 5.9666 5.9666 6.2864 6.2864 6.6211 6.6211 6.9404 6.9404 7.6277 7.6277 8.6506 8.6506 8.7109 8.7109 10.4479 10.4479 11.6725 11.6725 12.6741 12.6741 12.8615 12.8615 13.1728 13.1728 k = 0.0000 0.0000 0.0982 ( 3475 PWs) bands (ev): -4.4499 -4.4499 -2.0580 -2.0580 -0.2046 -0.2046 0.3121 0.3121 3.1390 3.1390 4.4058 4.4058 4.5313 4.5313 5.1452 5.1452 5.1873 5.1873 5.4919 5.4919 5.6422 5.6422 5.8379 5.8379 5.8715 5.8715 5.9609 5.9609 6.2879 6.2879 6.6377 6.6377 6.8737 6.8737 7.6603 7.6603 8.7357 8.7357 8.7874 8.7874 10.3759 10.3759 11.5546 11.5546 12.6809 12.6809 12.8223 12.8223 13.1764 13.1764 k = 0.0000 0.0000 0.1091 ( 3469 PWs) bands (ev): -4.4259 -4.4259 -2.1419 -2.1419 -0.1495 -0.1495 0.3174 0.3174 3.1659 3.1659 4.4430 4.4430 4.5301 4.5301 5.1466 5.1466 5.1877 5.1877 5.4490 5.4490 5.6190 5.6190 5.8342 5.8342 5.8637 5.8637 5.9554 5.9554 6.2897 6.2897 6.6539 6.6539 6.8150 6.8150 7.6963 7.6963 8.8079 8.8079 8.8725 8.8725 10.3002 10.3002 11.4409 11.4409 12.6430 12.6430 12.8223 12.8223 13.1803 13.1803 k = 0.0000 0.0000 0.1200 ( 3470 PWs) bands (ev): -4.3993 -4.3993 -2.2271 -2.2271 -0.0962 -0.0962 0.3230 0.3230 3.1948 3.1948 4.4818 4.4818 4.5293 4.5293 5.1480 5.1480 5.1879 5.1879 5.4020 5.4020 5.5963 5.5963 5.8305 5.8305 5.8561 5.8561 5.9500 5.9500 6.2919 6.2919 6.6680 6.6680 6.7660 6.7660 7.7357 7.7357 8.8790 8.8790 8.9504 8.9504 10.2213 10.2213 11.3359 11.3359 12.5742 12.5742 12.8484 12.8484 13.1845 13.1845 k = 0.0000 0.0000 0.1309 ( 3470 PWs) bands (ev): -4.3702 -4.3702 -2.3130 -2.3130 -0.0451 -0.0451 0.3289 0.3289 3.2257 3.2257 4.5102 4.5102 4.5400 4.5400 5.1496 5.1496 5.1881 5.1881 5.3519 5.3519 5.5750 5.5750 5.8268 5.8268 5.8487 5.8487 5.9447 5.9447 6.2946 6.2946 6.6724 6.6724 6.7340 6.7340 7.7782 7.7782 8.9518 8.9518 9.0141 9.0141 10.1401 10.1401 11.2442 11.2442 12.4940 12.4940 12.8820 12.8820 13.1889 13.1889 k = 0.0000 0.0000 0.1418 ( 3470 PWs) bands (ev): -4.3387 -4.3387 -2.3992 -2.3992 0.0035 0.0035 0.3350 0.3350 3.2584 3.2584 4.5112 4.5112 4.5782 4.5782 5.1513 5.1513 5.1880 5.1880 5.2999 5.2999 5.5556 5.5556 5.8231 5.8231 5.8415 5.8415 5.9394 5.9394 6.2978 6.2978 6.6536 6.6536 6.7325 6.7325 7.8236 7.8236 9.0203 9.0203 9.0647 9.0647 10.0569 10.0569 11.1700 11.1700 12.4096 12.4096 12.9172 12.9172 13.1935 13.1935 k = 0.0000 0.0000 0.1527 ( 3482 PWs) bands (ev): -4.3047 -4.3047 -2.4855 -2.4855 0.0493 0.0493 0.3413 0.3413 3.2929 3.2929 4.5042 4.5042 4.6228 4.6228 5.1531 5.1531 5.1867 5.1867 5.2482 5.2482 5.5392 5.5392 5.8193 5.8193 5.8346 5.8346 5.9341 5.9341 6.3018 6.3018 6.6247 6.6247 6.7480 6.7480 7.8719 7.8719 9.0539 9.0539 9.1287 9.1287 9.9723 9.9723 11.1171 11.1171 12.3244 12.3244 12.9519 12.9519 13.1982 13.1982 k = 0.0000 0.0000 0.1636 ( 3482 PWs) bands (ev): -4.2683 -4.2683 -2.5714 -2.5714 0.0922 0.0922 0.3475 0.3475 3.3290 3.3290 4.4934 4.4934 4.6677 4.6677 5.1551 5.1551 5.1762 5.1762 5.2062 5.2062 5.5264 5.5264 5.8154 5.8154 5.8283 5.8283 5.9288 5.9288 6.3066 6.3066 6.5969 6.5969 6.7692 6.7692 7.9230 7.9230 9.0457 9.0457 9.2105 9.2105 9.8866 9.8866 11.0866 11.0866 12.2412 12.2412 12.9851 12.9851 13.2030 13.2030 k = 0.0000 0.0000 0.1745 ( 3482 PWs) bands (ev): -4.2295 -4.2295 -2.6568 -2.6568 0.1320 0.1320 0.3537 0.3537 3.3668 3.3668 4.4786 4.4786 4.7111 4.7111 5.1361 5.1361 5.1572 5.1572 5.1960 5.1960 5.5184 5.5184 5.8113 5.8113 5.8227 5.8227 5.9233 5.9233 6.3122 6.3122 6.5722 6.5722 6.7940 6.7940 7.9766 7.9766 9.0068 9.0068 9.2984 9.2984 9.8002 9.8002 11.0770 11.0770 12.1633 12.1633 13.0162 13.0162 13.2078 13.2078 k = 0.0000 0.0000 0.1854 ( 3484 PWs) bands (ev): -4.1882 -4.1882 -2.7414 -2.7414 0.1686 0.1686 0.3597 0.3597 3.4062 3.4062 4.4592 4.4592 4.7512 4.7512 5.0904 5.0904 5.1593 5.1593 5.1949 5.1949 5.5158 5.5158 5.8067 5.8067 5.8180 5.8180 5.9177 5.9177 6.3187 6.3187 6.5508 6.5508 6.8226 6.8226 8.0328 8.0328 8.9417 8.9417 9.3899 9.3899 9.7135 9.7135 11.0829 11.0829 12.0948 12.0948 13.0451 13.0451 13.2125 13.2125 k = 0.0000 0.0000 0.1964 ( 3482 PWs) bands (ev): -4.1446 -4.1446 -2.8251 -2.8251 0.2021 0.2021 0.3655 0.3655 3.4472 3.4472 4.4343 4.4343 4.7866 4.7866 5.0484 5.0484 5.1615 5.1615 5.1949 5.1949 5.5195 5.5195 5.8017 5.8017 5.8142 5.8142 5.9118 5.9118 6.3262 6.3262 6.5322 6.5322 6.8555 6.8555 8.0914 8.0914 8.8546 8.8546 9.4842 9.4842 9.6267 9.6267 11.0956 11.0956 12.0412 12.0412 13.0713 13.0713 13.2170 13.2170 k = 0.0000 0.0000 0.2073 ( 3490 PWs) bands (ev): -4.0985 -4.0985 -2.9077 -2.9077 0.2324 0.2324 0.3708 0.3708 3.4899 3.4899 4.4036 4.4036 4.8162 4.8162 5.0121 5.0121 5.1638 5.1638 5.1950 5.1950 5.5295 5.5295 5.7964 5.7964 5.8113 5.8113 5.9056 5.9056 6.3345 6.3345 6.5160 6.5160 6.8936 6.8936 8.1522 8.1522 8.7504 8.7504 9.5395 9.5395 9.5813 9.5813 11.1044 11.1044 12.0096 12.0096 13.0948 13.0948 13.2213 13.2213 k = 0.0000 0.0000 0.2182 ( 3492 PWs) bands (ev): -4.0502 -4.0502 -2.9890 -2.9890 0.2596 0.2596 0.3757 0.3757 3.5343 3.5343 4.3669 4.3669 4.8394 4.8394 4.9822 4.9822 5.1661 5.1661 5.1950 5.1950 5.5456 5.5456 5.7909 5.7909 5.8092 5.8092 5.8989 5.8989 6.3435 6.3435 6.5018 6.5018 6.9380 6.9380 8.2151 8.2151 8.6334 8.6334 9.4532 9.4532 9.6798 9.6798 11.0989 11.0989 12.0065 12.0065 13.1153 13.1153 13.2252 13.2252 k = 0.0000 0.0000 0.2291 ( 3500 PWs) bands (ev): -3.9995 -3.9995 -3.0690 -3.0690 0.2838 0.2838 0.3798 0.3798 3.5803 3.5803 4.3246 4.3246 4.8562 4.8562 4.9587 4.9587 5.1685 5.1685 5.1947 5.1947 5.5669 5.5669 5.7853 5.7853 5.8079 5.8079 5.8917 5.8917 6.3531 6.3531 6.4892 6.4892 6.9894 6.9894 8.2799 8.2799 8.5080 8.5080 9.3671 9.3671 9.7803 9.7803 11.0726 11.0726 12.0350 12.0350 13.1324 13.1324 13.2287 13.2287 k = 0.0000 0.0000 0.2400 ( 3504 PWs) bands (ev): -3.9466 -3.9466 -3.1476 -3.1476 0.3051 0.3051 0.3832 0.3832 3.6280 3.6280 4.2774 4.2774 4.8676 4.8676 4.9412 4.9412 5.1708 5.1708 5.1940 5.1940 5.5917 5.5917 5.7796 5.7796 5.8074 5.8074 5.8839 5.8839 6.3632 6.3632 6.4780 6.4780 7.0489 7.0489 8.3417 8.3417 8.3821 8.3821 9.2817 9.2817 9.8821 9.8821 11.0250 11.0250 12.0931 12.0931 13.1452 13.1452 13.2317 13.2317 k = 0.0000 0.0000 0.2509 ( 3518 PWs) bands (ev): -3.8914 -3.8914 -3.2245 -3.2245 0.3235 0.3235 0.3857 0.3857 3.6774 3.6774 4.2264 4.2264 4.8746 4.8746 4.9284 4.9284 5.1731 5.1731 5.1929 5.1929 5.6184 5.6184 5.7737 5.7737 5.8077 5.8077 5.8754 5.8754 6.3734 6.3734 6.4677 6.4677 7.1173 7.1173 8.2402 8.2402 8.4185 8.4185 9.1971 9.1971 9.9849 9.9849 10.9597 10.9597 12.1749 12.1749 13.1515 13.1515 13.2342 13.2342 k = 0.0000 0.0000 0.2618 ( 3518 PWs) bands (ev): -3.8340 -3.8340 -3.2998 -3.2998 0.3392 0.3392 0.3870 0.3870 3.7283 3.7283 4.1725 4.1725 4.8792 4.8792 4.9190 4.9190 5.1754 5.1754 5.1916 5.1916 5.6450 5.6450 5.7673 5.7673 5.8093 5.8093 5.8665 5.8665 6.3837 6.3837 6.4581 6.4581 7.1949 7.1949 8.1061 8.1061 8.4889 8.4889 9.1133 9.1133 10.0885 10.0885 10.8814 10.8814 12.2740 12.2740 13.1424 13.1424 13.2359 13.2359 k = 0.0000 0.0000 0.2727 ( 3522 PWs) bands (ev): -3.7744 -3.7744 -3.3734 -3.3734 0.3525 0.3525 0.3871 0.3871 3.7809 3.7809 4.1168 4.1168 4.8826 4.8826 4.9115 4.9115 5.1777 5.1777 5.1900 5.1900 5.6704 5.6704 5.7601 5.7601 5.8120 5.8120 5.8570 5.8570 6.3937 6.3937 6.4490 6.4490 7.2820 7.2820 7.9729 7.9729 8.5615 8.5615 9.0306 9.0306 10.1924 10.1924 10.7940 10.7940 12.3850 12.3850 13.0928 13.0928 13.2369 13.2369 k = 0.0000 0.0000 0.2836 ( 3518 PWs) bands (ev): -3.7126 -3.7126 -3.4451 -3.4451 0.3633 0.3633 0.3858 0.3858 3.8348 3.8348 4.0600 4.0600 4.8860 4.8860 4.9052 4.9052 5.1799 5.1799 5.1882 5.1882 5.6931 5.6931 5.7518 5.7518 5.8163 5.8163 5.8475 5.8475 6.4036 6.4036 6.4401 6.4401 7.3784 7.3784 7.8426 7.8426 8.6359 8.6359 8.9489 8.9489 10.2963 10.2963 10.7004 10.7004 12.5038 12.5038 12.9948 12.9948 13.2371 13.2371 k = 0.0000 0.0000 0.2945 ( 3518 PWs) bands (ev): -3.6487 -3.6487 -3.5149 -3.5149 0.3718 0.3718 0.3830 0.3830 3.8900 3.8900 4.0030 4.0030 4.8899 4.8899 4.8995 4.8995 5.1821 5.1821 5.1863 5.1863 5.7126 5.7126 5.7416 5.7416 5.8221 5.8221 5.8381 5.8381 6.4131 6.4131 6.4313 6.4313 7.4836 7.4836 7.7167 7.7167 8.7120 8.7120 8.8686 8.8686 10.3997 10.3997 10.6026 10.6026 12.6271 12.6271 12.8766 12.8766 13.2363 13.2363 k = 0.0000 0.0000 0.3054 ( 3520 PWs) bands (ev): -3.5829 -3.5829 -3.5828 -3.5828 0.3783 0.3783 0.3784 0.3784 3.9461 3.9461 3.9462 3.9462 4.8943 4.8943 4.8945 4.8945 5.1841 5.1841 5.1844 5.1844 5.7285 5.7285 5.7288 5.7288 5.8293 5.8293 5.8297 5.8297 6.4221 6.4221 6.4225 6.4225 7.5966 7.5966 7.5967 7.5967 8.7895 8.7895 8.7896 8.7896 10.5020 10.5020 10.5021 10.5021 12.7523 12.7523 12.7524 12.7524 13.2362 13.2362 k = 0.0000 0.0000 0.3054 ( 3520 PWs) bands (ev): -3.5829 -3.5829 -3.5828 -3.5828 0.3783 0.3783 0.3784 0.3784 3.9461 3.9461 3.9462 3.9462 4.8943 4.8943 4.8945 4.8945 5.1841 5.1841 5.1844 5.1844 5.7285 5.7285 5.7288 5.7288 5.8293 5.8293 5.8297 5.8297 6.4221 6.4221 6.4225 6.4225 7.5966 7.5966 7.5967 7.5967 8.7895 8.7895 8.7896 8.7896 10.5020 10.5020 10.5021 10.5021 12.7523 12.7523 12.7524 12.7524 13.2362 13.2362 k = 0.0111-0.0000 0.3054 ( 3510 PWs) bands (ev): -3.5818 -3.5818 -3.5817 -3.5817 0.3782 0.3782 0.3785 0.3785 3.9470 3.9470 3.9477 3.9477 4.8924 4.8924 4.8960 4.8960 5.1814 5.1814 5.1877 5.1877 5.7257 5.7257 5.7321 5.7321 5.8287 5.8287 5.8298 5.8298 6.4187 6.4187 6.4234 6.4234 7.5968 7.5968 7.5974 7.5974 8.7767 8.7767 8.7794 8.7794 10.5106 10.5106 10.5134 10.5134 12.7431 12.7431 12.7577 12.7577 13.2179 13.2179 k = 0.0222-0.0000 0.3054 ( 3522 PWs) bands (ev): -3.5784 -3.5784 -3.5783 -3.5783 0.3781 0.3781 0.3787 0.3787 3.9501 3.9501 3.9515 3.9515 4.8900 4.8900 4.8971 4.8971 5.1789 5.1789 5.1916 5.1916 5.7228 5.7228 5.7357 5.7357 5.8273 5.8273 5.8296 5.8296 6.4126 6.4126 6.4220 6.4220 7.5979 7.5979 7.5991 7.5991 8.7418 8.7418 8.7472 8.7472 10.5381 10.5381 10.5437 10.5437 12.7290 12.7290 12.7597 12.7597 13.1811 13.1811 k = 0.0333-0.0000 0.3054 ( 3512 PWs) bands (ev): -3.5727 -3.5727 -3.5726 -3.5726 0.3780 0.3780 0.3789 0.3789 3.9556 3.9556 3.9576 3.9576 4.8872 4.8872 4.8978 4.8978 5.1772 5.1772 5.1962 5.1962 5.7200 5.7200 5.7394 5.7394 5.8258 5.8258 5.8290 5.8290 6.4039 6.4039 6.4182 6.4182 7.5999 7.5999 7.6017 7.6017 8.6876 8.6876 8.6958 8.6958 10.5818 10.5818 10.5902 10.5902 12.7084 12.7084 12.7579 12.7579 13.1277 13.1277 k = 0.0444-0.0000 0.3054 ( 3508 PWs) bands (ev): -3.5648 -3.5648 -3.5647 -3.5647 0.3779 0.3779 0.3791 0.3791 3.9633 3.9633 3.9661 3.9661 4.8839 4.8839 4.8979 4.8979 5.1759 5.1759 5.2012 5.2012 5.7167 5.7167 5.7426 5.7426 5.8244 5.8244 5.8285 5.8285 6.3926 6.3926 6.4121 6.4121 7.6028 7.6028 7.6052 7.6052 8.6178 8.6178 8.6288 8.6288 10.6382 10.6382 10.6494 10.6494 12.6789 12.6789 12.7509 12.7509 13.0608 13.0608 k = 0.0556-0.0000 0.3054 ( 3510 PWs) bands (ev): -3.5546 -3.5546 -3.5545 -3.5545 0.3778 0.3778 0.3792 0.3792 3.9734 3.9734 3.9769 3.9769 4.8803 4.8803 4.8975 4.8975 5.1752 5.1752 5.2065 5.2065 5.7124 5.7124 5.7444 5.7444 5.8239 5.8239 5.8282 5.8282 6.3787 6.3787 6.4035 6.4035 7.6065 7.6065 7.6095 7.6095 8.5363 8.5363 8.5500 8.5500 10.7036 10.7036 10.7177 10.7177 12.6372 12.6372 12.7349 12.7349 12.9862 12.9862 k = 0.0667-0.0000 0.3054 ( 3510 PWs) bands (ev): -3.5422 -3.5422 -3.5421 -3.5421 0.3776 0.3776 0.3793 0.3793 3.9856 3.9856 3.9899 3.9899 4.8762 4.8762 4.8966 4.8966 5.1749 5.1749 5.2124 5.2124 5.7066 5.7066 5.7440 5.7440 5.8252 5.8252 5.8287 5.8287 6.3623 6.3623 6.3927 6.3927 7.6110 7.6110 7.6147 7.6147 8.4466 8.4466 8.4631 8.4631 10.7748 10.7748 10.7916 10.7916 12.5802 12.5802 12.7010 12.7010 12.9153 12.9153 k = 0.0778-0.0000 0.3054 ( 3510 PWs) bands (ev): -3.5276 -3.5276 -3.5275 -3.5275 0.3773 0.3773 0.3793 0.3793 4.0000 4.0000 4.0052 4.0052 4.8716 4.8716 4.8951 4.8951 5.1751 5.1751 5.2185 5.2185 5.6985 5.6985 5.7403 5.7403 5.8290 5.8290 5.8303 5.8303 6.3435 6.3435 6.3798 6.3798 7.6163 7.6163 7.6206 7.6206 8.3518 8.3518 8.3713 8.3713 10.8489 10.8489 10.8684 10.8684 12.5058 12.5058 12.6361 12.6361 12.8628 12.8628 k = 0.0889-0.0000 0.3054 ( 3502 PWs) bands (ev): -3.5107 -3.5107 -3.5106 -3.5106 0.3769 0.3769 0.3791 0.3791 4.0166 4.0166 4.0228 4.0228 4.8665 4.8665 4.8930 4.8930 5.1756 5.1756 5.2250 5.2250 5.6878 5.6878 5.7331 5.7331 5.8334 5.8334 5.8356 5.8356 6.3224 6.3224 6.3651 6.3651 7.6223 7.6223 7.6272 7.6272 8.2545 8.2545 8.2770 8.2770 10.9237 10.9237 10.9457 10.9457 12.4144 12.4144 12.5396 12.5396 12.8315 12.8315 k = 0.1000-0.0000 0.3054 ( 3494 PWs) bands (ev): -3.4917 -3.4917 -3.4916 -3.4916 0.3763 0.3763 0.3788 0.3788 4.0353 4.0353 4.0425 4.0425 4.8609 4.8609 4.8903 4.8903 5.1760 5.1760 5.2314 5.2314 5.6741 5.6741 5.7225 5.7225 5.8378 5.8378 5.8447 5.8447 6.2993 6.2993 6.3487 6.3487 7.6287 7.6287 7.6344 7.6344 8.1571 8.1571 8.1825 8.1825 10.9974 10.9974 11.0217 11.0217 12.3080 12.3080 12.4223 12.4223 12.8122 12.8122 k = 0.1111-0.0000 0.3054 ( 3496 PWs) bands (ev): -3.4706 -3.4706 -3.4705 -3.4705 0.3753 0.3753 0.3781 0.3781 4.0560 4.0560 4.0644 4.0644 4.8545 4.8545 4.8868 4.8868 5.1762 5.1762 5.2377 5.2377 5.6572 5.6572 5.7088 5.7088 5.8436 5.8436 5.8555 5.8555 6.2745 6.2745 6.3310 6.3310 7.6355 7.6355 7.6418 7.6418 8.0613 8.0613 8.0897 8.0897 11.0686 11.0686 11.0947 11.0947 12.1894 12.1894 12.2932 12.2932 12.7975 12.7975 k = 0.1222-0.0000 0.3054 ( 3488 PWs) bands (ev): -3.4473 -3.4473 -3.4472 -3.4472 0.3741 0.3741 0.3771 0.3771 4.0786 4.0786 4.0884 4.0884 4.8475 4.8475 4.8827 4.8827 5.1757 5.1757 5.2433 5.2433 5.6375 5.6375 5.6925 5.6925 5.8504 5.8504 5.8677 5.8677 6.2488 6.2488 6.3127 6.3127 7.6422 7.6422 7.6492 7.6492 7.9689 7.9689 8.0002 8.0002 11.1360 11.1360 11.1634 11.1634 12.0616 12.0616 12.1571 12.1571 12.7844 12.7844 k = 0.1333-0.0000 0.3054 ( 3480 PWs) bands (ev): -3.4220 -3.4220 -3.4218 -3.4218 0.3724 0.3724 0.3757 0.3757 4.1030 4.1030 4.1144 4.1144 4.8396 4.8396 4.8777 4.8777 5.1740 5.1740 5.2477 5.2477 5.6154 5.6154 5.6742 5.6742 5.8580 5.8580 5.8807 5.8807 6.2228 6.2228 6.2943 6.2943 7.6480 7.6480 7.6553 7.6553 7.8820 7.8820 7.9158 7.9158 11.1986 11.1986 11.2260 11.2260 11.9271 11.9271 12.0172 12.0172 12.7713 12.7713 k = 0.1444-0.0000 0.3054 ( 3484 PWs) bands (ev): -3.3946 -3.3946 -3.3944 -3.3944 0.3703 0.3703 0.3738 0.3738 4.1291 4.1291 4.1422 4.1422 4.8305 4.8305 4.8716 4.8716 5.1705 5.1705 5.2501 5.2501 5.5918 5.5918 5.6545 5.6545 5.8658 5.8658 5.8940 5.8940 6.1974 6.1974 6.2766 6.2766 7.6506 7.6506 7.6567 7.6567 7.8048 7.8048 7.8395 7.8395 11.2551 11.2551 11.2801 11.2801 11.7885 11.7885 11.8771 11.8771 12.7577 12.7577 k = 0.1556-0.0000 0.3054 ( 3492 PWs) bands (ev): -3.3651 -3.3651 -3.3650 -3.3650 0.3675 0.3675 0.3713 0.3713 4.1565 4.1565 4.1719 4.1719 4.8200 4.8200 4.8643 4.8643 5.1643 5.1643 5.2491 5.2491 5.5681 5.5681 5.6343 5.6343 5.8736 5.8736 5.9069 5.9069 6.1737 6.1737 6.2603 6.2603 7.6416 7.6416 7.6437 7.6437 7.7495 7.7495 7.7779 7.7779 11.3027 11.3027 11.3204 11.3204 11.6493 11.6493 11.7426 11.7426 12.7434 12.7434 k = 0.1667-0.0000 0.3054 ( 3494 PWs) bands (ev): -3.3338 -3.3338 -3.3336 -3.3336 0.3641 0.3641 0.3681 0.3681 4.1852 4.1852 4.2032 4.2032 4.8077 4.8077 4.8554 4.8554 5.1550 5.1550 5.2435 5.2435 5.5464 5.5464 5.6149 5.6149 5.8808 5.8808 5.9185 5.9185 6.1531 6.1531 6.2462 6.2462 7.5959 7.5959 7.6151 7.6151 7.7304 7.7304 7.7434 7.7434 11.3309 11.3309 11.3318 11.3318 11.5209 11.5209 11.6293 11.6293 12.7283 12.7283 k = 0.1778-0.0000 0.3054 ( 3478 PWs) bands (ev): -3.3005 -3.3005 -3.3003 -3.3003 0.3599 0.3599 0.3641 0.3641 4.2145 4.2145 4.2358 4.2358 4.7933 4.7933 4.8445 4.8445 5.1422 5.1422 5.2318 5.2318 5.5290 5.5290 5.5977 5.5977 5.8872 5.8872 5.9280 5.9280 6.1370 6.1370 6.2353 6.2353 7.5349 7.5349 7.5656 7.5656 7.7322 7.7322 7.7353 7.7353 11.2828 11.2828 11.2871 11.2871 11.4561 11.4561 11.5686 11.5686 12.7129 12.7129 k = 0.1889-0.0000 0.3054 ( 3486 PWs) bands (ev): -3.2654 -3.2654 -3.2652 -3.2652 0.3549 0.3549 0.3593 0.3593 4.2440 4.2440 4.2692 4.2692 4.7759 4.7759 4.8310 4.8310 5.1258 5.1258 5.2135 5.2135 5.5174 5.5174 5.5837 5.5837 5.8920 5.8920 5.9339 5.9339 6.1270 6.1270 6.2280 6.2280 7.4725 7.4725 7.5091 7.5091 7.7393 7.7393 7.7406 7.7406 11.1621 11.1621 11.1731 11.1731 11.4647 11.4647 11.5612 11.5612 12.6974 12.6974 k = 0.2000-0.0000 0.3054 ( 3486 PWs) bands (ev): -3.2285 -3.2285 -3.2283 -3.2283 0.3489 0.3489 0.3534 0.3534 4.2727 4.2727 4.3029 4.3029 4.7554 4.7554 4.8145 4.8145 5.1069 5.1069 5.1897 5.1897 5.5125 5.5125 5.5739 5.5739 5.8953 5.8953 5.9354 5.9354 6.1241 6.1241 6.2250 6.2250 7.4125 7.4125 7.4527 7.4527 7.7478 7.7478 7.7515 7.7515 11.0180 11.0180 11.0372 11.0372 11.4845 11.4845 11.5724 11.5724 12.6825 12.6825 k = 0.2111-0.0000 0.3054 ( 3488 PWs) bands (ev): -3.1899 -3.1899 -3.1897 -3.1897 0.3418 0.3418 0.3465 0.3465 4.2993 4.2993 4.3357 4.3357 4.7316 4.7316 4.7950 4.7950 5.0873 5.0873 5.1625 5.1625 5.5136 5.5136 5.5687 5.5687 5.8968 5.8968 5.9324 5.9324 6.1285 6.1285 6.2263 6.2263 7.3556 7.3556 7.3985 7.3985 7.7585 7.7585 7.7637 7.7637 10.8698 10.8698 10.8924 10.8924 11.5008 11.5008 11.5849 11.5849 12.6688 12.6688 k = 0.2222-0.0000 0.3054 ( 3480 PWs) bands (ev): -3.1497 -3.1497 -3.1495 -3.1495 0.3335 0.3335 0.3384 0.3384 4.3215 4.3215 4.3654 4.3654 4.7057 4.7057 4.7736 4.7736 5.0689 5.0689 5.1350 5.1350 5.5197 5.5197 5.5681 5.5681 5.8965 5.8965 5.9258 5.9258 6.1393 6.1393 6.2322 6.2322 7.3019 7.3019 7.3469 7.3469 7.7703 7.7703 7.7767 7.7767 10.7207 10.7207 10.7448 10.7448 11.5106 11.5106 11.5928 11.5928 12.6569 12.6569 k = 0.2333-0.0000 0.3054 ( 3472 PWs) bands (ev): -3.1080 -3.1080 -3.1077 -3.1077 0.3240 0.3240 0.3291 0.3291 4.3360 4.3360 4.3878 4.3878 4.6814 4.6814 4.7531 4.7531 5.0534 5.0534 5.1096 5.1096 5.5294 5.5294 5.5714 5.5714 5.8947 5.8947 5.9168 5.9168 6.1551 6.1551 6.2422 6.2422 7.2511 7.2511 7.2979 7.2979 7.7828 7.7828 7.7900 7.7900 10.5719 10.5719 10.5965 10.5965 11.5129 11.5129 11.5939 11.5939 12.6474 12.6474 k = 0.2444-0.0000 0.3054 ( 3476 PWs) bands (ev): -3.0648 -3.0648 -3.0645 -3.0645 0.3131 0.3131 0.3183 0.3183 4.3385 4.3385 4.3961 4.3961 4.6654 4.6654 4.7382 4.7382 5.0416 5.0416 5.0879 5.0879 5.5417 5.5417 5.5781 5.5781 5.8916 5.8916 5.9066 5.9066 6.1745 6.1745 6.2562 6.2562 7.2026 7.2026 7.2512 7.2512 7.7956 7.7956 7.8035 7.8035 10.4242 10.4242 10.4487 10.4487 11.5072 11.5072 11.5873 11.5873 12.6408 12.6408 k = 0.2556-0.0000 0.3054 ( 3476 PWs) bands (ev): -3.0203 -3.0203 -3.0200 -3.0200 0.3008 0.3008 0.3061 0.3061 4.3255 4.3255 4.3831 4.3831 4.6658 4.6658 4.7335 4.7335 5.0341 5.0341 5.0708 5.0708 5.5560 5.5560 5.5876 5.5876 5.8877 5.8877 5.8960 5.8960 6.1969 6.1969 6.2737 6.2737 7.1562 7.1562 7.2065 7.2065 7.8085 7.8085 7.8171 7.8171 10.2779 10.2779 10.3023 10.3023 11.4937 11.4937 11.5727 11.5727 12.6371 12.6371 k = 0.2667-0.0000 0.3054 ( 3476 PWs) bands (ev): -2.9747 -2.9747 -2.9743 -2.9743 0.2869 0.2869 0.2923 0.2923 4.2960 4.2960 4.3485 4.3485 4.6837 4.6837 4.7411 4.7411 5.0309 5.0309 5.0583 5.0583 5.5715 5.5715 5.5992 5.5992 5.8832 5.8832 5.8854 5.8854 6.2214 6.2214 6.2944 6.2944 7.1113 7.1113 7.1634 7.1634 7.8214 7.8214 7.8306 7.8306 10.1336 10.1336 10.1577 10.1577 11.4728 11.4728 11.5506 11.5506 12.6363 12.6363 k = 0.2778-0.0000 0.3054 ( 3480 PWs) bands (ev): -2.9280 -2.9280 -2.9276 -2.9276 0.2715 0.2715 0.2770 0.2770 4.2526 4.2526 4.2985 4.2985 4.7142 4.7142 4.7594 4.7594 5.0320 5.0320 5.0504 5.0504 5.5879 5.5879 5.6123 5.6123 5.8752 5.8752 5.8785 5.8785 6.2477 6.2477 6.3180 6.3180 7.0675 7.0675 7.1216 7.1216 7.8341 7.8341 7.8438 7.8438 9.9916 9.9916 10.0153 10.0153 11.4451 11.4451 11.5215 11.5215 12.6382 12.6382 k = 0.2889-0.0000 0.3054 ( 3482 PWs) bands (ev): -2.8804 -2.8804 -2.8800 -2.8800 0.2545 0.2545 0.2600 0.2600 4.1994 4.1994 4.2395 4.2395 4.7515 4.7515 4.7848 4.7848 5.0378 5.0378 5.0472 5.0472 5.6046 5.6046 5.6266 5.6266 5.8656 5.8656 5.8738 5.8738 6.2755 6.2755 6.3443 6.3443 7.0246 7.0246 7.0810 7.0810 7.8464 7.8464 7.8565 7.8565 9.8521 9.8521 9.8756 9.8756 11.4114 11.4114 11.4864 11.4864 12.6421 12.6421 k = 0.3000-0.0000 0.3054 ( 3478 PWs) bands (ev): -2.8321 -2.8321 -2.8316 -2.8316 0.2359 0.2359 0.2415 0.2415 4.1404 4.1404 4.1758 4.1758 4.7917 4.7917 4.8136 4.8136 5.0489 5.0489 5.0491 5.0491 5.6214 5.6214 5.6416 5.6416 5.8567 5.8567 5.8694 5.8694 6.3045 6.3045 6.3731 6.3731 6.9820 6.9820 7.0412 7.0412 7.8581 7.8581 7.8686 7.8686 9.7155 9.7155 9.7388 9.7388 11.3728 11.3728 11.4463 11.4463 12.6476 12.6476 k = 0.3111-0.0000 0.3054 ( 3480 PWs) bands (ev): -2.7832 -2.7832 -2.7827 -2.7827 0.2157 0.2157 0.2213 0.2213 4.0782 4.0782 4.1101 4.1101 4.8317 4.8317 4.8423 4.8423 5.0565 5.0565 5.0667 5.0667 5.6380 5.6380 5.6568 5.6568 5.8487 5.8487 5.8655 5.8655 6.3344 6.3344 6.4041 6.4041 6.9397 6.9397 7.0023 7.0023 7.8690 7.8690 7.8799 7.8799 9.5822 9.5822 9.6053 9.6053 11.3302 11.3302 11.4024 11.4024 12.6540 12.6540 k = 0.3222-0.0000 0.3054 ( 3484 PWs) bands (ev): -2.7341 -2.7341 -2.7336 -2.7336 0.1941 0.1941 0.1996 0.1996 4.0151 4.0151 4.0443 4.0443 4.8683 4.8683 4.8684 4.8684 5.0717 5.0717 5.0919 5.0919 5.6540 5.6540 5.6720 5.6720 5.8417 5.8417 5.8624 5.8624 6.3648 6.3648 6.4372 6.4372 6.8974 6.8974 6.9644 6.9644 7.8789 7.8789 7.8901 7.8901 9.4525 9.4525 9.4754 9.4754 11.2847 11.2847 11.3556 11.3556 12.6608 12.6608 k = 0.3333-0.0000 0.3054 ( 3490 PWs) bands (ev): -2.6849 -2.6849 -2.6843 -2.6843 0.1710 0.1710 0.1765 0.1765 3.9525 3.9525 3.9795 3.9795 4.8902 4.8902 4.8990 4.8990 5.0963 5.0963 5.1251 5.1251 5.6692 5.6692 5.6865 5.6865 5.8359 5.8359 5.8600 5.8600 6.3952 6.3952 6.4721 6.4721 6.8549 6.8549 6.9278 6.9278 7.8875 7.8875 7.8988 7.8988 9.3268 9.3268 9.3497 9.3497 11.2373 11.2373 11.3071 11.3071 12.6674 12.6674 k = 0.3444-0.0000 0.3054 ( 3486 PWs) bands (ev): -2.6359 -2.6359 -2.6353 -2.6353 0.1466 0.1466 0.1520 0.1520 3.8915 3.8915 3.9168 3.9168 4.9078 4.9078 4.9223 4.9223 5.1309 5.1309 5.1655 5.1655 5.6833 5.6833 5.7002 5.7002 5.8316 5.8316 5.8589 5.8589 6.4246 6.4246 6.5085 6.5085 6.8127 6.8127 6.8932 6.8932 7.8944 7.8944 7.9057 7.9057 9.2056 9.2056 9.2284 9.2284 11.1889 11.1889 11.2578 11.2578 12.6734 12.6734 k = 0.3556-0.0000 0.3054 ( 3486 PWs) bands (ev): -2.5874 -2.5874 -2.5867 -2.5867 0.1212 0.1212 0.1266 0.1266 3.8330 3.8330 3.8568 3.8568 4.9216 4.9216 4.9389 4.9389 5.1740 5.1740 5.2119 5.2119 5.6959 5.6959 5.7124 5.7124 5.8289 5.8289 5.8589 5.8589 6.4514 6.4514 6.5454 6.5454 6.7713 6.7713 6.8620 6.8620 7.8992 7.8992 7.9104 7.9104 9.0895 9.0895 9.1122 9.1122 11.1405 11.1405 11.2085 11.2085 12.6786 12.6786 k = 0.3667-0.0000 0.3054 ( 3488 PWs) bands (ev): -2.5398 -2.5398 -2.5390 -2.5390 0.0949 0.0949 0.1002 0.1002 3.7774 3.7774 3.8001 3.8001 4.9327 4.9327 4.9508 4.9508 5.2235 5.2235 5.2629 5.2629 5.7071 5.7071 5.7227 5.7227 5.8284 5.8284 5.8604 5.8604 6.4733 6.4733 6.5794 6.5794 6.7339 6.7339 6.8366 6.8366 7.9014 7.9014 7.9121 7.9121 8.9792 8.9792 9.0018 9.0018 11.0928 11.0928 11.1601 11.1601 12.6827 12.6827 k = 0.3778-0.0000 0.3054 ( 3488 PWs) bands (ev): -2.4933 -2.4933 -2.4925 -2.4925 0.0682 0.0682 0.0734 0.0734 3.7253 3.7253 3.7470 3.7470 4.9417 4.9417 4.9597 4.9597 5.2770 5.2770 5.3170 5.3170 5.7166 5.7166 5.7307 5.7307 5.8302 5.8302 5.8633 5.8633 6.4865 6.4865 6.5993 6.5993 6.7117 6.7117 6.8203 6.8203 7.9003 7.9003 7.9102 7.9102 8.8755 8.8755 8.8979 8.8979 11.0466 11.0466 11.1133 11.1133 12.6856 12.6856 k = 0.3889-0.0000 0.3054 ( 3482 PWs) bands (ev): -2.4485 -2.4485 -2.4476 -2.4476 0.0413 0.0413 0.0464 0.0464 3.6771 3.6771 3.6979 3.6979 4.9494 4.9494 4.9666 4.9666 5.3330 5.3330 5.3735 5.3735 5.7247 5.7247 5.7364 5.7364 5.8345 5.8345 5.8677 5.8677 6.4874 6.4874 6.5854 6.5854 6.7240 6.7240 6.8166 6.8166 7.8952 7.8952 7.9038 7.9038 8.7794 8.7794 8.8015 8.8015 11.0024 11.0024 11.0686 11.0686 12.6874 12.6874 k = 0.4000-0.0000 0.3054 ( 3486 PWs) bands (ev): -2.4057 -2.4057 -2.4048 -2.4048 0.0146 0.0146 0.0196 0.0196 3.6330 3.6330 3.6531 3.6531 4.9558 4.9558 4.9722 4.9722 5.3902 5.3902 5.4312 5.4312 5.7314 5.7314 5.7399 5.7399 5.8408 5.8408 5.8734 5.8734 6.4743 6.4743 6.5477 6.5477 6.7607 6.7607 6.8273 6.8273 7.8853 7.8853 7.8919 7.8919 8.6922 8.6922 8.7136 8.7136 10.9608 10.9608 11.0267 11.0267 12.6880 12.6880 k = 0.4111-0.0000 0.3054 ( 3486 PWs) bands (ev): -2.3654 -2.3654 -2.3644 -2.3644 -0.0113 -0.0113 -0.0064 -0.0064 3.5932 3.5932 3.6127 3.6127 4.9614 4.9614 4.9769 4.9769 5.4475 5.4475 5.4896 5.4896 5.7373 5.7373 5.7419 5.7419 5.8489 5.8489 5.8803 5.8803 6.4485 6.4485 6.5017 6.5017 6.8063 6.8063 6.8504 6.8504 7.8697 7.8697 7.8735 7.8735 8.6151 8.6151 8.6353 8.6353 10.9224 10.9224 10.9880 10.9880 12.6878 12.6878 k = 0.4222-0.0000 0.3054 ( 3482 PWs) bands (ev): -2.3282 -2.3282 -2.3271 -2.3271 -0.0359 -0.0359 -0.0312 -0.0312 3.5580 3.5580 3.5769 3.5769 4.9662 4.9662 4.9809 4.9809 5.5036 5.5036 5.5474 5.5474 5.7428 5.7428 5.7431 5.7431 5.8585 5.8585 5.8884 5.8884 6.4131 6.4131 6.4521 6.4521 6.8557 6.8557 6.8826 6.8826 7.8480 7.8480 7.8480 7.8480 8.5491 8.5491 8.5678 8.5678 10.8876 10.8876 10.9529 10.9529 12.6867 12.6867 k = 0.4333-0.0000 0.3054 ( 3488 PWs) bands (ev): -2.2944 -2.2944 -2.2933 -2.2933 -0.0589 -0.0589 -0.0542 -0.0542 3.5272 3.5272 3.5457 3.5457 4.9703 4.9703 4.9842 4.9842 5.5569 5.5569 5.6034 5.6034 5.7442 5.7442 5.7491 5.7491 5.8696 5.8696 5.8978 5.8978 6.3710 6.3710 6.4004 6.4004 6.9067 6.9067 6.9204 6.9204 7.8154 7.8154 7.8202 7.8202 8.4949 8.4949 8.5115 8.5115 10.8567 10.8567 10.9218 10.9218 12.6852 12.6852 k = 0.4444-0.0000 0.3054 ( 3496 PWs) bands (ev): -2.2648 -2.2648 -2.2636 -2.2636 -0.0794 -0.0794 -0.0749 -0.0749 3.5012 3.5012 3.5192 3.5192 4.9738 4.9738 4.9871 4.9871 5.6048 5.6048 5.6549 5.6549 5.7465 5.7465 5.7574 5.7574 5.8831 5.8831 5.9093 5.9093 6.3243 6.3243 6.3475 6.3475 6.9582 6.9582 6.9610 6.9610 7.7767 7.7767 7.7874 7.7874 8.4522 8.4522 8.4665 8.4665 10.8300 10.8300 10.8951 10.8951 12.6834 12.6834 k = 0.4556-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.2397 -2.2397 -2.2385 -2.2385 -0.0972 -0.0972 -0.0927 -0.0927 3.4798 3.4798 3.4976 3.4976 4.9766 4.9766 4.9894 4.9894 5.6438 5.6438 5.6962 5.6962 5.7536 5.7536 5.7693 5.7693 5.9009 5.9009 5.9241 5.9241 6.2744 6.2744 6.2942 6.2942 7.0017 7.0017 7.0083 7.0083 7.7344 7.7344 7.7516 7.7516 8.4201 8.4201 8.4321 8.4321 10.8078 10.8078 10.8728 10.8728 12.6816 12.6816 k = 0.4667-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.2196 -2.2196 -2.2183 -2.2183 -0.1116 -0.1116 -0.1072 -0.1072 3.4632 3.4632 3.4807 3.4807 4.9788 4.9788 4.9912 4.9912 5.6708 5.6708 5.7182 5.7182 5.7707 5.7707 5.7850 5.7850 5.9259 5.9259 5.9440 5.9440 6.2225 6.2225 6.2412 6.2412 7.0396 7.0396 7.0547 7.0547 7.6920 7.6920 7.7162 7.7162 8.3972 8.3972 8.4072 8.4072 10.7904 10.7904 10.8553 10.8553 12.6799 12.6799 k = 0.4778-0.0000 0.3054 ( 3504 PWs) bands (ev): -2.2049 -2.2049 -2.2037 -2.2037 -0.1222 -0.1222 -0.1178 -0.1178 3.4513 3.4513 3.4686 3.4686 4.9804 4.9804 4.9925 4.9925 5.6863 5.6863 5.7252 5.7252 5.7906 5.7906 5.8008 5.8008 5.9601 5.9601 5.9703 5.9703 6.1699 6.1699 6.1904 6.1904 7.0712 7.0712 7.0940 7.0940 7.6545 7.6545 7.6854 7.6854 8.3820 8.3820 8.3906 8.3906 10.7778 10.7778 10.8427 10.8427 12.6785 12.6785 k = 0.4889-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.1960 -2.1960 -2.1947 -2.1947 -0.1287 -0.1287 -0.1244 -0.1244 3.4441 3.4441 3.4614 3.4614 4.9814 4.9814 4.9933 4.9933 5.6938 5.6938 5.7274 5.7274 5.8033 5.8033 5.8120 5.8120 5.9997 5.9997 6.0013 6.0013 6.1191 6.1191 6.1465 6.1465 7.0927 7.0927 7.1211 7.1211 7.6279 7.6279 7.6641 7.6641 8.3734 8.3734 8.3810 8.3810 10.7702 10.7702 10.8351 10.8351 12.6777 12.6777 k = 0.5000-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.1930 -2.1930 -2.1917 -2.1917 -0.1309 -0.1309 -0.1266 -0.1266 3.4418 3.4418 3.4590 3.4590 4.9817 4.9817 4.9935 4.9935 5.6960 5.6960 5.7279 5.7279 5.8074 5.8074 5.8158 5.8158 6.0160 6.0160 6.0306 6.0306 6.0868 6.0868 6.1255 6.1255 7.1003 7.1003 7.1309 7.1309 7.6182 7.6182 7.6564 7.6564 8.3706 8.3706 8.3779 8.3779 10.7677 10.7677 10.8325 10.8325 12.6774 12.6774 k = 0.5000-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.1930 -2.1930 -2.1917 -2.1917 -0.1309 -0.1309 -0.1266 -0.1266 3.4418 3.4418 3.4590 3.4590 4.9817 4.9817 4.9935 4.9935 5.6960 5.6960 5.7279 5.7279 5.8074 5.8074 5.8158 5.8158 6.0160 6.0160 6.0306 6.0306 6.0868 6.0868 6.1255 6.1255 7.1003 7.1003 7.1309 7.1309 7.6182 7.6182 7.6564 7.6564 8.3706 8.3706 8.3779 8.3779 10.7677 10.7677 10.8325 10.8325 12.6774 12.6774 k = 0.5000 0.0112 0.3054 ( 3500 PWs) bands (ev): -2.1921 -2.1921 -2.1908 -2.1908 -0.1313 -0.1313 -0.1270 -0.1270 3.4397 3.4397 3.4569 3.4569 4.9812 4.9812 4.9931 4.9931 5.6939 5.6939 5.7255 5.7255 5.8069 5.8069 5.8138 5.8138 6.0169 6.0169 6.0268 6.0268 6.0902 6.0902 6.1256 6.1256 7.0960 7.0960 7.1264 7.1264 7.6242 7.6242 7.6627 7.6627 8.3729 8.3729 8.3800 8.3800 10.7755 10.7755 10.8404 10.8404 12.6778 12.6778 k = 0.5000 0.0224 0.3054 ( 3508 PWs) bands (ev): -2.1893 -2.1893 -2.1880 -2.1880 -0.1325 -0.1325 -0.1282 -0.1282 3.4337 3.4337 3.4508 3.4508 4.9798 4.9798 4.9918 4.9918 5.6877 5.6877 5.7183 5.7183 5.8056 5.8056 5.8080 5.8080 6.0176 6.0176 6.0193 6.0193 6.0984 6.0984 6.1256 6.1256 7.0831 7.0831 7.1130 7.1130 7.6420 7.6420 7.6811 7.6811 8.3799 8.3799 8.3862 8.3862 10.7988 10.7988 10.8636 10.8636 12.6790 12.6790 k = 0.5000 0.0336 0.3054 ( 3504 PWs) bands (ev): -2.1846 -2.1846 -2.1833 -2.1833 -0.1346 -0.1346 -0.1303 -0.1303 3.4239 3.4239 3.4407 3.4407 4.9774 4.9774 4.9895 4.9895 5.6773 5.6773 5.7065 5.7065 5.7994 5.7994 5.8036 5.8036 6.0060 6.0060 6.0226 6.0226 6.1081 6.1081 6.1257 6.1257 7.0623 7.0623 7.0915 7.0915 7.6712 7.6712 7.7113 7.7113 8.3916 8.3916 8.3966 8.3966 10.8367 10.8367 10.9016 10.9016 12.6811 12.6811 k = 0.5000 0.0448 0.3054 ( 3500 PWs) bands (ev): -2.1781 -2.1781 -2.1769 -2.1769 -0.1375 -0.1375 -0.1333 -0.1333 3.4105 3.4105 3.4271 3.4271 4.9740 4.9740 4.9863 4.9863 5.6626 5.6626 5.6905 5.6905 5.7891 5.7891 5.8010 5.8010 5.9937 5.9937 6.0260 6.0260 6.1175 6.1175 6.1258 6.1258 7.0347 7.0347 7.0628 7.0628 7.7107 7.7107 7.7524 7.7524 8.4083 8.4083 8.4114 8.4114 10.8883 10.8883 10.9533 10.9533 12.6840 12.6840 k = 0.5000 0.0560 0.3054 ( 3500 PWs) bands (ev): -2.1698 -2.1698 -2.1686 -2.1686 -0.1414 -0.1414 -0.1372 -0.1372 3.3940 3.3940 3.4101 3.4101 4.9692 4.9692 4.9818 4.9818 5.6440 5.6440 5.6706 5.6706 5.7780 5.7780 5.7979 5.7979 5.9813 5.9813 6.0287 6.0287 6.1255 6.1255 6.1258 6.1258 7.0014 7.0014 7.0282 7.0282 7.7597 7.7597 7.8035 7.8035 8.4304 8.4304 8.4309 8.4309 10.9519 10.9519 11.0173 11.0173 12.6880 12.6880 k = 0.5000 0.0671 0.3054 ( 3504 PWs) bands (ev): -2.1597 -2.1597 -2.1585 -2.1585 -0.1462 -0.1462 -0.1422 -0.1422 3.3747 3.3747 3.3904 3.3904 4.9629 4.9629 4.9758 4.9758 5.6218 5.6218 5.6472 5.6472 5.7665 5.7665 5.7942 5.7942 5.9690 5.9690 6.0305 6.0305 6.1253 6.1253 6.1324 6.1324 6.9638 6.9638 6.9890 6.9890 7.8167 7.8167 7.8631 7.8631 8.4555 8.4555 8.4582 8.4582 11.0257 11.0257 11.0917 11.0917 12.6929 12.6929 k = 0.5000 0.0783 0.3054 ( 3504 PWs) bands (ev): -2.1478 -2.1478 -2.1466 -2.1466 -0.1521 -0.1521 -0.1482 -0.1482 3.3533 3.3533 3.3684 3.3684 4.9549 4.9549 4.9682 4.9682 5.5965 5.5965 5.6212 5.6212 5.7550 5.7550 5.7901 5.7901 5.9569 5.9569 6.0309 6.0309 6.1247 6.1247 6.1375 6.1375 6.9232 6.9232 6.9465 6.9465 7.8803 7.8803 7.9298 7.9298 8.4857 8.4857 8.4924 8.4924 11.1078 11.1078 11.1747 11.1747 12.6992 12.6992 k = 0.5000 0.0895 0.3054 ( 3492 PWs) bands (ev): -2.1342 -2.1342 -2.1330 -2.1330 -0.1592 -0.1592 -0.1553 -0.1553 3.3301 3.3301 3.3447 3.3447 4.9449 4.9449 4.9586 4.9586 5.5688 5.5688 5.5929 5.5929 5.7436 5.7436 5.7856 5.7856 5.9452 5.9452 6.0301 6.0301 6.1240 6.1240 6.1411 6.1411 6.8809 6.8809 6.9021 6.9021 7.9489 7.9489 8.0019 8.0019 8.5223 8.5223 8.5337 8.5337 11.1957 11.1957 11.2640 11.2640 12.7071 12.7071 k = 0.5000 0.1007 0.3054 ( 3492 PWs) bands (ev): -2.1189 -2.1189 -2.1176 -2.1176 -0.1674 -0.1674 -0.1637 -0.1637 3.3060 3.3060 3.3200 3.3200 4.9321 4.9321 4.9463 4.9463 5.5391 5.5391 5.5629 5.5629 5.7324 5.7324 5.7804 5.7804 5.9337 5.9337 6.0279 6.0279 6.1231 6.1231 6.1432 6.1432 6.8382 6.8382 6.8570 6.8570 8.0204 8.0204 8.0774 8.0774 8.5663 8.5663 8.5829 8.5829 11.2870 11.2870 11.3570 11.3570 12.7170 12.7170 k = 0.5000 0.1119 0.3054 ( 3496 PWs) bands (ev): -2.1019 -2.1019 -2.1006 -2.1006 -0.1770 -0.1770 -0.1734 -0.1734 3.2813 3.2813 3.2947 3.2947 4.9163 4.9163 4.9308 4.9308 5.5082 5.5082 5.5317 5.5317 5.7214 5.7214 5.7748 5.7748 5.9225 5.9225 6.0244 6.0244 6.1221 6.1221 6.1441 6.1441 6.7960 6.7960 6.8123 6.8123 8.0932 8.0932 8.1539 8.1539 8.6191 8.6191 8.6409 8.6409 11.3788 11.3788 11.4510 11.4510 12.7297 12.7297 k = 0.5000 0.1231 0.3054 ( 3492 PWs) bands (ev): -2.0833 -2.0833 -2.0820 -2.0820 -0.1880 -0.1880 -0.1845 -0.1845 3.2569 3.2569 3.2696 3.2696 4.8968 4.8968 4.9117 4.9117 5.4768 5.4768 5.5000 5.5000 5.7107 5.7107 5.7686 5.7686 5.9120 5.9120 6.0199 6.0199 6.1210 6.1210 6.1439 6.1439 6.7552 6.7552 6.7688 6.7688 8.1652 8.1652 8.2291 8.2291 8.6818 8.6818 8.7085 8.7085 11.4681 11.4681 11.5428 11.5428 12.7461 12.7461 k = 0.5000 0.1343 0.3054 ( 3492 PWs) bands (ev): -2.0631 -2.0631 -2.0619 -2.0619 -0.2004 -0.2004 -0.1971 -0.1971 3.2332 3.2332 3.2451 3.2451 4.8729 4.8729 4.8879 4.8879 5.4457 5.4457 5.4686 5.4686 5.7005 5.7005 5.7620 5.7620 5.9021 5.9021 6.0144 6.0144 6.1200 6.1200 6.1429 6.1429 6.7165 6.7165 6.7273 6.7273 8.2352 8.2352 8.3012 8.3012 8.7556 8.7556 8.7861 8.7861 11.5516 11.5516 11.6291 11.6291 12.7670 12.7670 k = 0.5000 0.1455 0.3054 ( 3492 PWs) bands (ev): -2.0415 -2.0415 -2.0403 -2.0403 -0.2144 -0.2144 -0.2112 -0.2112 3.2107 3.2107 3.2220 3.2220 4.8440 4.8440 4.8590 4.8590 5.4157 5.4157 5.4381 5.4381 5.6908 5.6908 5.7548 5.7548 5.8931 5.8931 6.0081 6.0081 6.1190 6.1190 6.1413 6.1413 6.6802 6.6802 6.6882 6.6882 8.3022 8.3022 8.3687 8.3687 8.8406 8.8406 8.8737 8.8737 11.6263 11.6263 11.7064 11.7064 12.7933 12.7933 k = 0.5000 0.1567 0.3054 ( 3492 PWs) bands (ev): -2.0185 -2.0185 -2.0173 -2.0173 -0.2299 -0.2299 -0.2269 -0.2269 3.1902 3.1902 3.2007 3.2007 4.8095 4.8095 4.8242 4.8242 5.3877 5.3877 5.4095 5.4095 5.6817 5.6817 5.7472 5.7472 5.8852 5.8852 6.0014 6.0014 6.1181 6.1181 6.1392 6.1392 6.6466 6.6466 6.6517 6.6517 8.3660 8.3660 8.4316 8.4316 8.9362 8.9362 8.9708 8.9708 11.6893 11.6893 11.7715 11.7715 12.8250 12.8250 k = 0.5000 0.1679 0.3054 ( 3484 PWs) bands (ev): -1.9941 -1.9941 -1.9930 -1.9930 -0.2470 -0.2470 -0.2442 -0.2442 3.1720 3.1720 3.1818 3.1818 4.7691 4.7691 4.7834 4.7834 5.3624 5.3624 5.3832 5.3832 5.6733 5.6733 5.7392 5.7392 5.8784 5.8784 5.9943 5.9943 6.1174 6.1174 6.1369 6.1369 6.6158 6.6158 6.6182 6.6182 8.4266 8.4266 8.4903 8.4903 9.0410 9.0410 9.0761 9.0761 11.7387 11.7387 11.8221 11.8221 12.8612 12.8612 k = 0.5000 0.1790 0.3054 ( 3484 PWs) bands (ev): -1.9686 -1.9686 -1.9674 -1.9674 -0.2657 -0.2657 -0.2632 -0.2632 3.1565 3.1565 3.1656 3.1656 4.7228 4.7228 4.7363 4.7363 5.3401 5.3401 5.3599 5.3599 5.6656 5.6656 5.7308 5.7308 5.8729 5.8729 5.9871 5.9871 6.1166 6.1166 6.1344 6.1344 6.5874 6.5874 6.5877 6.5877 8.4846 8.4846 8.5455 8.5455 9.1532 9.1532 9.1883 9.1883 11.7735 11.7735 11.8573 11.8573 12.8989 12.8989 k = 0.5000 0.1902 0.3054 ( 3492 PWs) bands (ev): -1.9420 -1.9420 -1.9408 -1.9408 -0.2860 -0.2860 -0.2836 -0.2836 3.1442 3.1442 3.1526 3.1526 4.6708 4.6708 4.6835 4.6835 5.3210 5.3210 5.3395 5.3395 5.6585 5.6585 5.7223 5.7223 5.8685 5.8685 5.9798 5.9798 6.1160 6.1160 6.1318 6.1318 6.5595 6.5595 6.5621 6.5621 8.5402 8.5402 8.5980 8.5980 9.2713 9.2713 9.3062 9.3062 11.7939 11.7939 11.8774 11.8774 12.9339 12.9339 k = 0.5000 0.2014 0.3054 ( 3492 PWs) bands (ev): -1.9144 -1.9144 -1.9133 -1.9133 -0.3078 -0.3078 -0.3056 -0.3056 3.1353 3.1353 3.1430 3.1430 4.6139 4.6139 4.6256 4.6256 5.3052 5.3052 5.3223 5.3223 5.6521 5.6521 5.7137 5.7137 5.8652 5.8652 5.9727 5.9727 6.1154 6.1154 6.1292 6.1292 6.5341 6.5341 6.5389 6.5389 8.5940 8.5940 8.6485 8.6485 9.3936 9.3936 9.4285 9.4285 11.8012 11.8012 11.8839 11.8839 12.9609 12.9609 k = 0.5000 0.2126 0.3054 ( 3496 PWs) bands (ev): -1.8861 -1.8861 -1.8850 -1.8850 -0.3309 -0.3309 -0.3289 -0.3289 3.1302 3.1302 3.1372 3.1372 4.5526 4.5526 4.5633 4.5633 5.2921 5.2921 5.3078 5.3078 5.6463 5.6463 5.7052 5.7052 5.8631 5.8631 5.9658 5.9658 6.1148 6.1148 6.1267 6.1267 6.5112 6.5112 6.5178 6.5178 8.6461 8.6461 8.6973 8.6973 9.5188 9.5188 9.5538 9.5538 11.7971 11.7971 11.8787 11.8787 12.9752 12.9752 k = 0.5000 0.2238 0.3054 ( 3496 PWs) bands (ev): -1.8572 -1.8572 -1.8562 -1.8562 -0.3553 -0.3553 -0.3535 -0.3535 3.1289 3.1289 3.1352 3.1352 4.4880 4.4880 4.4976 4.4976 5.2816 5.2816 5.2959 5.2959 5.6412 5.6412 5.6968 5.6968 5.8619 5.8619 5.9592 5.9592 6.1143 6.1143 6.1243 6.1243 6.4906 6.4906 6.4988 6.4988 8.6967 8.6967 8.7446 8.7446 9.6457 9.6457 9.6813 9.6813 11.7836 11.7836 11.8644 11.8644 12.9736 12.9736 k = 0.5000 0.2350 0.3054 ( 3496 PWs) bands (ev): -1.8279 -1.8279 -1.8269 -1.8269 -0.3806 -0.3806 -0.3790 -0.3790 3.1317 3.1317 3.1373 3.1373 4.4208 4.4208 4.4295 4.4295 5.2733 5.2733 5.2862 5.2862 5.6366 5.6366 5.6885 5.6885 5.8617 5.8617 5.9529 5.9529 6.1138 6.1138 6.1221 6.1221 6.4722 6.4722 6.4816 6.4816 8.7457 8.7457 8.7904 8.7904 9.7733 9.7733 9.8097 9.8097 11.7626 11.7626 11.8429 11.8429 12.9551 12.9551 k = 0.5000 0.2462 0.3054 ( 3492 PWs) bands (ev): -1.7985 -1.7985 -1.7976 -1.7976 -0.4067 -0.4067 -0.4053 -0.4053 3.1385 3.1385 3.1435 3.1435 4.3520 4.3520 4.3598 4.3598 5.2667 5.2667 5.2783 5.2783 5.6326 5.6326 5.6806 5.6806 5.8622 5.8622 5.9469 5.9469 6.1134 6.1134 6.1201 6.1201 6.4558 6.4558 6.4661 6.4661 8.7931 8.7931 8.8345 8.8345 9.9006 9.9006 9.9382 9.9382 11.7361 11.7361 11.8164 11.8164 12.9205 12.9205 k = 0.5000 0.2574 0.3054 ( 3496 PWs) bands (ev): -1.7693 -1.7693 -1.7684 -1.7684 -0.4331 -0.4331 -0.4319 -0.4319 3.1494 3.1494 3.1538 3.1538 4.2824 4.2824 4.2894 4.2894 5.2616 5.2616 5.2719 5.2719 5.6292 5.6292 5.6729 5.6729 5.8635 5.8635 5.9412 5.9412 6.1129 6.1129 6.1181 6.1181 6.4412 6.4412 6.4520 6.4520 8.8386 8.8386 8.8767 8.8767 10.0265 10.0265 10.0657 10.0657 11.7058 11.7058 11.7867 11.7867 12.8721 12.8721 k = 0.5000 0.2686 0.3054 ( 3492 PWs) bands (ev): -1.7406 -1.7406 -1.7398 -1.7398 -0.4596 -0.4596 -0.4585 -0.4585 3.1642 3.1642 3.1679 3.1679 4.2128 4.2128 4.2191 4.2191 5.2576 5.2576 5.2668 5.2668 5.6263 5.6263 5.6657 5.6657 5.8654 5.8654 5.9359 5.9359 6.1125 6.1125 6.1164 6.1164 6.4284 6.4284 6.4394 6.4394 8.8820 8.8820 8.9167 8.9167 10.1501 10.1501 10.1912 10.1912 11.6735 11.6735 11.7555 11.7555 12.8129 12.8129 k = 0.5000 0.2798 0.3054 ( 3492 PWs) bands (ev): -1.7128 -1.7128 -1.7120 -1.7120 -0.4857 -0.4857 -0.4848 -0.4848 3.1827 3.1827 3.1858 3.1858 4.1441 4.1441 4.1496 4.1496 5.2547 5.2547 5.2627 5.2627 5.6238 5.6238 5.6589 5.6589 5.8678 5.8678 5.9308 5.9308 6.1120 6.1120 6.1149 6.1149 6.4173 6.4173 6.4281 6.4281 8.9228 8.9228 8.9541 8.9541 10.2700 10.2700 10.3132 10.3132 11.6406 11.6406 11.7241 11.7241 12.7458 12.7458 k = 0.5000 0.2910 0.3054 ( 3496 PWs) bands (ev): -1.6863 -1.6863 -1.6856 -1.6856 -0.5108 -0.5108 -0.5100 -0.5100 3.2045 3.2045 3.2071 3.2071 4.0770 4.0770 4.0819 4.0819 5.2524 5.2524 5.2594 5.2594 5.6219 5.6219 5.6525 5.6525 5.8706 5.8706 5.9260 5.9260 6.1116 6.1116 6.1136 6.1136 6.4077 6.4077 6.4181 6.4181 8.9607 8.9607 8.9885 8.9885 10.3851 10.3851 10.4304 10.4304 11.6088 11.6088 11.6937 11.6937 12.6738 12.6738 k = 0.5000 0.3021 0.3054 ( 3492 PWs) bands (ev): -1.6617 -1.6617 -1.6611 -1.6611 -0.5344 -0.5344 -0.5338 -0.5338 3.2292 3.2292 3.2313 3.2313 4.0125 4.0125 4.0167 4.0167 5.2509 5.2509 5.2568 5.2568 5.6205 5.6205 5.6467 5.6467 5.8738 5.8738 5.9215 5.9215 6.1112 6.1112 6.1125 6.1125 6.3997 6.3997 6.4093 6.4093 8.9952 8.9952 9.0194 9.0194 10.4937 10.4937 10.5408 10.5408 11.5796 11.5796 11.6655 11.6655 12.6000 12.6000 k = 0.5000 0.3133 0.3054 ( 3480 PWs) bands (ev): -1.6395 -1.6395 -1.6389 -1.6389 -0.5559 -0.5559 -0.5554 -0.5554 3.2560 3.2560 3.2576 3.2576 3.9517 3.9517 3.9553 3.9553 5.2499 5.2499 5.2548 5.2548 5.6196 5.6196 5.6414 5.6414 5.8773 5.8773 5.9172 5.9172 6.1108 6.1108 6.1116 6.1116 6.3933 6.3933 6.4018 6.4018 9.0258 9.0258 9.0463 9.0463 10.5940 10.5940 10.6420 10.6420 11.5546 11.5546 11.6399 11.6399 12.5276 12.5276 k = 0.5000 0.3245 0.3054 ( 3476 PWs) bands (ev): -1.6202 -1.6202 -1.6197 -1.6197 -0.5747 -0.5747 -0.5743 -0.5743 3.2837 3.2837 3.2848 3.2848 3.8959 3.8959 3.8989 3.8989 5.2492 5.2492 5.2531 5.2531 5.6193 5.6193 5.6366 5.6366 5.8810 5.8810 5.9130 5.9130 6.1104 6.1104 6.1109 6.1109 6.3882 6.3882 6.3953 6.3953 9.0521 9.0521 9.0687 9.0687 10.6838 10.6838 10.7306 10.7306 11.5359 11.5359 11.6172 11.6172 12.4604 12.4604 k = 0.5000 0.3357 0.3054 ( 3472 PWs) bands (ev): -1.6044 -1.6044 -1.6040 -1.6040 -0.5901 -0.5901 -0.5899 -0.5899 3.3105 3.3105 3.3113 3.3113 3.8472 3.8472 3.8495 3.8495 5.2489 5.2489 5.2518 5.2518 5.6195 5.6195 5.6325 5.6325 5.8848 5.8848 5.9088 5.9088 6.1100 6.1100 6.1104 6.1104 6.3846 6.3846 6.3901 6.3901 9.0735 9.0735 9.0861 9.0861 10.7607 10.7607 10.8028 10.8028 11.5249 11.5249 11.5969 11.5969 12.4026 12.4026 k = 0.5000 0.3469 0.3054 ( 3480 PWs) bands (ev): -1.5926 -1.5926 -1.5924 -1.5924 -0.6017 -0.6017 -0.6015 -0.6015 3.3339 3.3339 3.3343 3.3343 3.8082 3.8082 3.8098 3.8098 5.2488 5.2488 5.2508 5.2508 5.6201 5.6201 5.6288 5.6288 5.8886 5.8886 5.9047 5.9047 6.1097 6.1097 6.1100 6.1100 6.3823 6.3823 6.3861 6.3861 9.0898 9.0898 9.0983 9.0983 10.8218 10.8218 10.8545 10.8545 11.5231 11.5231 11.5781 11.5781 12.3587 12.3587 k = 0.5000 0.3581 0.3054 ( 3480 PWs) bands (ev): -1.5854 -1.5854 -1.5852 -1.5852 -0.6087 -0.6087 -0.6086 -0.6086 3.3503 3.3503 3.3505 3.3505 3.7826 3.7826 3.7834 3.7834 5.2490 5.2490 5.2500 5.2500 5.6214 5.6214 5.6257 5.6257 5.8926 5.8926 5.9006 5.9006 6.1095 6.1095 6.1098 6.1098 6.3813 6.3813 6.3832 6.3832 9.1006 9.1006 9.1048 9.1048 10.8643 10.8643 10.8823 10.8823 11.5300 11.5300 11.5602 11.5602 12.3333 12.3333 k = 0.5000 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5829 -1.5829 -1.5828 -1.5828 -0.6111 -0.6111 -0.6111 -0.6111 3.3563 3.3563 3.3563 3.3563 3.7738 3.7738 3.7739 3.7739 5.2492 5.2492 5.2495 5.2495 5.6231 5.6231 5.6234 5.6234 5.8964 5.8964 5.8968 5.8968 6.1094 6.1094 6.1098 6.1098 6.3815 6.3815 6.3818 6.3818 9.1056 9.1056 9.1056 9.1056 10.8852 10.8852 10.8853 10.8853 11.5434 11.5434 11.5435 11.5435 12.3292 12.3292 k = 0.5000 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5829 -1.5829 -1.5828 -1.5828 -0.6111 -0.6111 -0.6111 -0.6111 3.3563 3.3563 3.3563 3.3563 3.7738 3.7738 3.7739 3.7739 5.2492 5.2492 5.2495 5.2495 5.6231 5.6231 5.6234 5.6234 5.8964 5.8964 5.8968 5.8968 6.1094 6.1094 6.1098 6.1098 6.3815 6.3815 6.3818 6.3818 9.1056 9.1056 9.1056 9.1056 10.8852 10.8852 10.8853 10.8853 11.5434 11.5434 11.5435 11.5435 12.3292 12.3292 k = 0.4889 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5841 -1.5841 -1.5840 -1.5840 -0.6138 -0.6138 -0.6137 -0.6137 3.3599 3.3599 3.3600 3.3600 3.7755 3.7755 3.7756 3.7756 5.2495 5.2495 5.2498 5.2498 5.6233 5.6233 5.6236 5.6236 5.8963 5.8963 5.8967 5.8967 6.1101 6.1101 6.1105 6.1105 6.3837 6.3837 6.3839 6.3839 9.1026 9.1026 9.1026 9.1026 10.8821 10.8821 10.8822 10.8822 11.5440 11.5440 11.5441 11.5441 12.3336 12.3336 k = 0.4778 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5875 -1.5875 -1.5874 -1.5874 -0.6218 -0.6218 -0.6217 -0.6217 3.3707 3.3707 3.3707 3.3707 3.7806 3.7806 3.7806 3.7806 5.2501 5.2501 5.2505 5.2505 5.6237 5.6237 5.6240 5.6240 5.8961 5.8961 5.8964 5.8964 6.1122 6.1122 6.1126 6.1126 6.3903 6.3903 6.3905 6.3905 9.0936 9.0936 9.0936 9.0936 10.8728 10.8728 10.8728 10.8728 11.5459 11.5459 11.5460 11.5460 12.3466 12.3466 k = 0.4667 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5932 -1.5932 -1.5931 -1.5931 -0.6349 -0.6349 -0.6348 -0.6348 3.3884 3.3884 3.3885 3.3885 3.7890 3.7890 3.7891 3.7891 5.2514 5.2514 5.2517 5.2517 5.6245 5.6245 5.6248 5.6248 5.8957 5.8957 5.8960 5.8960 6.1158 6.1158 6.1161 6.1161 6.4012 6.4012 6.4014 6.4014 9.0788 9.0788 9.0788 9.0788 10.8576 10.8576 10.8577 10.8577 11.5489 11.5489 11.5490 11.5490 12.3678 12.3679 k = 0.4556 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.6012 -1.6012 -1.6010 -1.6010 -0.6529 -0.6529 -0.6529 -0.6529 3.4127 3.4127 3.4128 3.4128 3.8007 3.8007 3.8007 3.8007 5.2533 5.2533 5.2536 5.2536 5.6256 5.6256 5.6259 5.6259 5.8951 5.8951 5.8955 5.8955 6.1208 6.1208 6.1211 6.1211 6.4165 6.4165 6.4168 6.4168 9.0584 9.0584 9.0584 9.0584 10.8373 10.8373 10.8374 10.8374 11.5528 11.5528 11.5529 11.5529 12.3966 12.3966 k = 0.4444 0.3693 0.3054 ( 3488 PWs) bands (ev): -1.6112 -1.6112 -1.6111 -1.6111 -0.6757 -0.6757 -0.6756 -0.6756 3.4431 3.4431 3.4432 3.4432 3.8155 3.8155 3.8156 3.8156 5.2560 5.2560 5.2563 5.2563 5.6269 5.6269 5.6272 5.6272 5.8943 5.8943 5.8947 5.8947 6.1272 6.1272 6.1275 6.1275 6.4363 6.4363 6.4365 6.4365 9.0327 9.0327 9.0327 9.0327 10.8125 10.8125 10.8126 10.8126 11.5573 11.5573 11.5574 11.5574 12.4319 12.4319 k = 0.4333 0.3693 0.3054 ( 3484 PWs) bands (ev): -1.6233 -1.6233 -1.6232 -1.6232 -0.7027 -0.7027 -0.7027 -0.7027 3.4790 3.4790 3.4790 3.4790 3.8335 3.8335 3.8335 3.8335 5.2597 5.2597 5.2600 5.2600 5.6287 5.6287 5.6289 5.6289 5.8934 5.8934 5.8937 5.8937 6.1352 6.1352 6.1355 6.1355 6.4605 6.4605 6.4607 6.4607 9.0023 9.0023 9.0023 9.0023 10.7839 10.7839 10.7840 10.7840 11.5620 11.5620 11.5621 11.5621 12.4729 12.4729 k = 0.4222 0.3693 0.3054 ( 3488 PWs) bands (ev): -1.6374 -1.6374 -1.6373 -1.6373 -0.7338 -0.7338 -0.7337 -0.7337 3.5196 3.5196 3.5197 3.5197 3.8542 3.8542 3.8543 3.8543 5.2647 5.2647 5.2650 5.2650 5.6307 5.6307 5.6310 5.6310 5.8922 5.8922 5.8925 5.8925 6.1447 6.1447 6.1450 6.1450 6.4892 6.4892 6.4893 6.4893 8.9675 8.9675 8.9675 8.9675 10.7523 10.7523 10.7523 10.7523 11.5666 11.5666 11.5667 11.5667 12.5185 12.5185 k = 0.4111 0.3693 0.3054 ( 3488 PWs) bands (ev): -1.6533 -1.6533 -1.6532 -1.6532 -0.7684 -0.7684 -0.7683 -0.7683 3.5642 3.5642 3.5643 3.5643 3.8778 3.8778 3.8778 3.8778 5.2712 5.2712 5.2715 5.2715 5.6331 5.6331 5.6333 5.6333 5.8908 5.8908 5.8911 5.8911 6.1559 6.1559 6.1562 6.1562 6.5221 6.5221 6.5223 6.5223 8.9289 8.9289 8.9289 8.9289 10.7183 10.7183 10.7184 10.7184 11.5706 11.5706 11.5707 11.5707 12.5679 12.5679 k = 0.4000 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.6709 -1.6709 -1.6708 -1.6708 -0.8061 -0.8061 -0.8060 -0.8060 3.6118 3.6118 3.6119 3.6119 3.9038 3.9038 3.9038 3.9038 5.2797 5.2797 5.2800 5.2800 5.6358 5.6358 5.6360 5.6360 5.8892 5.8892 5.8895 5.8895 6.1689 6.1689 6.1692 6.1692 6.5594 6.5594 6.5596 6.5596 8.8869 8.8869 8.8869 8.8869 10.6827 10.6827 10.6828 10.6828 11.5737 11.5737 11.5738 11.5738 12.6201 12.6201 k = 0.3889 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.6901 -1.6901 -1.6900 -1.6900 -0.8465 -0.8465 -0.8464 -0.8464 3.6615 3.6615 3.6616 3.6616 3.9322 3.9322 3.9322 3.9322 5.2904 5.2904 5.2906 5.2906 5.6389 5.6389 5.6391 5.6391 5.8874 5.8874 5.8877 5.8877 6.1840 6.1840 6.1843 6.1843 6.6009 6.6009 6.6010 6.6010 8.8423 8.8423 8.8423 8.8423 10.6459 10.6459 10.6459 10.6459 11.5754 11.5754 11.5755 11.5755 12.6741 12.6741 k = 0.3778 0.3693 0.3054 ( 3492 PWs) bands (ev): -1.7107 -1.7107 -1.7106 -1.7106 -0.8892 -0.8892 -0.8892 -0.8892 3.7123 3.7123 3.7124 3.7124 3.9627 3.9627 3.9628 3.9628 5.3035 5.3035 5.3038 5.3038 5.6424 5.6424 5.6426 5.6426 5.8855 5.8855 5.8858 5.8858 6.2014 6.2014 6.2016 6.2016 6.6463 6.6463 6.6465 6.6465 8.7955 8.7955 8.7955 8.7955 10.6084 10.6084 10.6084 10.6084 11.5756 11.5756 11.5757 11.5757 12.7292 12.7293 k = 0.3667 0.3693 0.3054 ( 3504 PWs) bands (ev): -1.7326 -1.7326 -1.7324 -1.7324 -0.9339 -0.9339 -0.9338 -0.9338 3.7631 3.7631 3.7631 3.7631 3.9952 3.9952 3.9953 3.9953 5.3193 5.3193 5.3196 5.3196 5.6463 5.6463 5.6465 5.6465 5.8833 5.8833 5.8837 5.8837 6.2214 6.2214 6.2217 6.2217 6.6956 6.6956 6.6957 6.6957 8.7472 8.7472 8.7473 8.7473 10.5705 10.5705 10.5706 10.5706 11.5739 11.5739 11.5740 11.5740 12.7847 12.7847 k = 0.3556 0.3693 0.3054 ( 3500 PWs) bands (ev): -1.7555 -1.7555 -1.7554 -1.7554 -0.9800 -0.9800 -0.9799 -0.9799 3.8129 3.8129 3.8129 3.8129 4.0294 4.0294 4.0295 4.0295 5.3381 5.3381 5.3383 5.3383 5.6508 5.6508 5.6509 5.6509 5.8811 5.8811 5.8814 5.8814 6.2446 6.2446 6.2449 6.2449 6.7483 6.7483 6.7484 6.7484 8.6981 8.6981 8.6982 8.6982 10.5327 10.5327 10.5328 10.5328 11.5702 11.5702 11.5703 11.5703 12.8397 12.8398 k = 0.3444 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.7795 -1.7795 -1.7793 -1.7793 -1.0273 -1.0273 -1.0272 -1.0272 3.8607 3.8607 3.8608 3.8608 4.0652 4.0652 4.0652 4.0652 5.3598 5.3598 5.3600 5.3600 5.6557 5.6557 5.6559 5.6559 5.8787 5.8787 5.8790 5.8790 6.2714 6.2714 6.2716 6.2716 6.8041 6.8041 6.8042 6.8042 8.6489 8.6489 8.6489 8.6489 10.4952 10.4952 10.4953 10.4953 11.5643 11.5643 11.5644 11.5644 12.8937 12.8937 k = 0.3333 0.3693 0.3054 ( 3492 PWs) bands (ev): -1.8042 -1.8042 -1.8041 -1.8041 -1.0754 -1.0754 -1.0753 -1.0753 3.9058 3.9058 3.9058 3.9058 4.1023 4.1023 4.1023 4.1023 5.3842 5.3842 5.3844 5.3844 5.6612 5.6612 5.6614 5.6614 5.8763 5.8763 5.8766 5.8766 6.3023 6.3023 6.3025 6.3025 6.8625 6.8625 6.8626 6.8626 8.6004 8.6004 8.6004 8.6004 10.4582 10.4582 10.4583 10.4583 11.5562 11.5562 11.5564 11.5564 12.9460 12.9460 k = 0.3222 0.3693 0.3054 ( 3488 PWs) bands (ev): -1.8296 -1.8296 -1.8294 -1.8294 -1.1240 -1.1240 -1.1239 -1.1239 3.9473 3.9473 3.9474 3.9474 4.1405 4.1405 4.1405 4.1405 5.4109 5.4109 5.4111 5.4111 5.6675 5.6675 5.6676 5.6676 5.8738 5.8738 5.8741 5.8741 6.3381 6.3381 6.3384 6.3384 6.9227 6.9227 6.9228 6.9228 8.5535 8.5535 8.5535 8.5535 10.4219 10.4219 10.4219 10.4219 11.5460 11.5460 11.5461 11.5461 12.9960 12.9961 k = 0.3111 0.3693 0.3054 ( 3488 PWs) bands (ev): -1.8554 -1.8554 -1.8553 -1.8553 -1.1728 -1.1728 -1.1727 -1.1727 3.9847 3.9847 3.9848 3.9848 4.1796 4.1796 4.1796 4.1796 5.4392 5.4392 5.4395 5.4395 5.6745 5.6745 5.6746 5.6746 5.8713 5.8713 5.8716 5.8716 6.3795 6.3795 6.3797 6.3797 6.9839 6.9839 6.9840 6.9840 8.5093 8.5093 8.5093 8.5093 10.3864 10.3864 10.3864 10.3864 11.5337 11.5337 11.5338 11.5338 13.0433 13.0434 k = 0.3000 0.3693 0.3054 ( 3492 PWs) bands (ev): -1.8817 -1.8817 -1.8815 -1.8815 -1.2215 -1.2215 -1.2214 -1.2214 4.0178 4.0178 4.0179 4.0179 4.2194 4.2194 4.2195 4.2195 5.4683 5.4683 5.4686 5.4686 5.6824 5.6824 5.6825 5.6825 5.8689 5.8689 5.8692 5.8692 6.4272 6.4272 6.4275 6.4275 7.0449 7.0449 7.0450 7.0450 8.4691 8.4691 8.4691 8.4691 10.3518 10.3518 10.3518 10.3518 11.5194 11.5194 11.5195 11.5195 13.0876 13.0876 k = 0.2889 0.3693 0.3054 ( 3492 PWs) bands (ev): -1.9081 -1.9081 -1.9080 -1.9080 -1.2699 -1.2699 -1.2699 -1.2699 4.0463 4.0463 4.0464 4.0464 4.2598 4.2598 4.2599 4.2599 5.4971 5.4971 5.4974 5.4974 5.6915 5.6915 5.6916 5.6916 5.8667 5.8667 5.8670 5.8670 6.4820 6.4820 6.4822 6.4822 7.1042 7.1042 7.1043 7.1043 8.4346 8.4346 8.4346 8.4346 10.3182 10.3182 10.3183 10.3183 11.5032 11.5032 11.5033 11.5033 13.1282 13.1283 k = 0.2778 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.9346 -1.9346 -1.9345 -1.9345 -1.3179 -1.3179 -1.3178 -1.3178 4.0703 4.0703 4.0704 4.0704 4.3006 4.3006 4.3007 4.3007 5.5245 5.5245 5.5248 5.5248 5.7018 5.7018 5.7019 5.7019 5.8647 5.8647 5.8650 5.8650 6.5443 6.5443 6.5445 6.5445 7.1601 7.1601 7.1601 7.1601 8.4075 8.4075 8.4076 8.4076 10.2857 10.2857 10.2858 10.2858 11.4855 11.4855 11.4856 11.4856 13.1652 13.1652 k = 0.2667 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.9610 -1.9610 -1.9609 -1.9609 -1.3651 -1.3651 -1.3650 -1.3650 4.0900 4.0900 4.0901 4.0901 4.3416 4.3416 4.3417 4.3417 5.5494 5.5494 5.5497 5.5497 5.7133 5.7133 5.7134 5.7134 5.8631 5.8631 5.8634 5.8634 6.6145 6.6145 6.6147 6.6147 7.2102 7.2102 7.2102 7.2102 8.3903 8.3903 8.3903 8.3903 10.2544 10.2544 10.2544 10.2544 11.4665 11.4665 11.4666 11.4666 13.1982 13.1983 k = 0.2556 0.3693 0.3054 ( 3496 PWs) bands (ev): -1.9872 -1.9872 -1.9871 -1.9871 -1.4114 -1.4114 -1.4113 -1.4113 4.1057 4.1057 4.1059 4.1059 4.3828 4.3828 4.3829 4.3829 5.5713 5.5713 5.5716 5.5716 5.7260 5.7260 5.7261 5.7261 5.8619 5.8619 5.8622 5.8622 6.6927 6.6927 6.6929 6.6929 7.2523 7.2523 7.2524 7.2524 8.3851 8.3851 8.3852 8.3852 10.2242 10.2242 10.2243 10.2243 11.4463 11.4463 11.4464 11.4464 13.2272 13.2272 k = 0.2444 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.0131 -2.0131 -2.0130 -2.0130 -1.4566 -1.4566 -1.4565 -1.4565 4.1178 4.1178 4.1180 4.1180 4.4240 4.4240 4.4241 4.4241 5.5900 5.5900 5.5903 5.5903 5.7393 5.7393 5.7394 5.7394 5.8614 5.8614 5.8617 5.8617 6.7784 6.7784 6.7786 6.7786 7.2845 7.2845 7.2845 7.2845 8.3942 8.3942 8.3943 8.3943 10.1953 10.1953 10.1953 10.1953 11.4253 11.4253 11.4254 11.4254 13.2521 13.2521 k = 0.2333 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.0386 -2.0386 -2.0385 -2.0385 -1.5006 -1.5006 -1.5005 -1.5005 4.1267 4.1267 4.1268 4.1268 4.4650 4.4650 4.4651 4.4651 5.6056 5.6056 5.6058 5.6058 5.7526 5.7526 5.7527 5.7527 5.8618 5.8618 5.8621 5.8621 6.8710 6.8710 6.8712 6.8712 7.3054 7.3054 7.3055 7.3055 8.4189 8.4189 8.4190 8.4190 10.1675 10.1675 10.1676 10.1676 11.4037 11.4037 11.4038 11.4038 13.2728 13.2729 k = 0.2222 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.0636 -2.0636 -2.0635 -2.0635 -1.5433 -1.5433 -1.5432 -1.5432 4.1327 4.1327 4.1328 4.1328 4.5058 4.5058 4.5059 4.5059 5.6185 5.6185 5.6188 5.6188 5.7652 5.7652 5.7653 5.7653 5.8632 5.8632 5.8635 5.8635 6.9689 6.9689 6.9691 6.9691 7.3155 7.3155 7.3155 7.3155 8.4596 8.4596 8.4597 8.4597 10.1410 10.1410 10.1411 10.1411 11.3818 11.3818 11.3819 11.3819 13.2896 13.2896 k = 0.2111 0.3693 0.3054 ( 3496 PWs) bands (ev): -2.0879 -2.0879 -2.0878 -2.0878 -1.5845 -1.5845 -1.5844 -1.5844 4.1363 4.1363 4.1364 4.1364 4.5461 4.5461 4.5462 4.5462 5.6293 5.6293 5.6295 5.6295 5.7764 5.7764 5.7766 5.7766 5.8658 5.8658 5.8661 5.8661 7.0689 7.0689 7.0691 7.0691 7.3178 7.3178 7.3178 7.3178 8.5153 8.5153 8.5153 8.5153 10.1158 10.1158 10.1158 10.1158 11.3600 11.3600 11.3601 11.3601 13.3024 13.3024 k = 0.2000 0.3693 0.3054 ( 3500 PWs) bands (ev): -2.1115 -2.1115 -2.1114 -2.1114 -1.6241 -1.6241 -1.6240 -1.6240 4.1378 4.1378 4.1380 4.1380 4.5859 4.5859 4.5861 4.5861 5.6384 5.6384 5.6386 5.6386 5.7860 5.7860 5.7861 5.7861 5.8697 5.8697 5.8700 5.8700 7.1603 7.1603 7.1605 7.1605 7.3237 7.3237 7.3238 7.3238 8.5842 8.5842 8.5842 8.5842 10.0917 10.0917 10.0918 10.0918 11.3384 11.3384 11.3385 11.3385 13.3114 13.3114 k = 0.1889 0.3693 0.3054 ( 3496 PWs) bands (ev): -2.1343 -2.1343 -2.1342 -2.1342 -1.6620 -1.6620 -1.6619 -1.6619 4.1377 4.1377 4.1379 4.1379 4.6251 4.6251 4.6253 4.6253 5.6461 5.6461 5.6463 5.6463 5.7938 5.7938 5.7938 5.7938 5.8749 5.8749 5.8752 5.8752 7.2081 7.2081 7.2081 7.2081 7.3693 7.3693 7.3695 7.3695 8.6640 8.6640 8.6640 8.6640 10.0689 10.0689 10.0690 10.0690 11.3174 11.3174 11.3175 11.3175 13.3167 13.3168 k = 0.1778 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.1562 -2.1562 -2.1561 -2.1561 -1.6982 -1.6982 -1.6981 -1.6981 4.1363 4.1363 4.1364 4.1364 4.6636 4.6636 4.6637 4.6637 5.6528 5.6528 5.6530 5.6530 5.8000 5.8000 5.8001 5.8001 5.8811 5.8811 5.8813 5.8813 7.2022 7.2022 7.2023 7.2023 7.4654 7.4654 7.4655 7.4655 8.7524 8.7524 8.7524 8.7524 10.0474 10.0474 10.0474 10.0474 11.2973 11.2973 11.2974 11.2974 13.3186 13.3186 k = 0.1667 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.1771 -2.1771 -2.1770 -2.1770 -1.7325 -1.7325 -1.7324 -1.7324 4.1338 4.1338 4.1339 4.1339 4.7010 4.7010 4.7012 4.7012 5.6586 5.6586 5.6588 5.6588 5.8050 5.8050 5.8051 5.8051 5.8879 5.8879 5.8882 5.8882 7.1758 7.1758 7.1758 7.1758 7.5796 7.5796 7.5798 7.5798 8.8471 8.8471 8.8472 8.8472 10.0270 10.0270 10.0271 10.0271 11.2782 11.2782 11.2783 11.2783 13.3171 13.3172 k = 0.1556 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.1970 -2.1970 -2.1969 -2.1969 -1.7649 -1.7649 -1.7648 -1.7648 4.1305 4.1305 4.1306 4.1306 4.7374 4.7374 4.7375 4.7375 5.6636 5.6636 5.6639 5.6639 5.8093 5.8093 5.8094 5.8094 5.8950 5.8950 5.8952 5.8952 7.1417 7.1417 7.1417 7.1417 7.6996 7.6996 7.6998 7.6998 8.9462 8.9462 8.9463 8.9463 10.0080 10.0080 10.0080 10.0080 11.2606 11.2606 11.2607 11.2607 13.3125 13.3126 k = 0.1444 0.3693 0.3054 ( 3500 PWs) bands (ev): -2.2157 -2.2157 -2.2156 -2.2156 -1.7953 -1.7953 -1.7952 -1.7952 4.1266 4.1266 4.1267 4.1267 4.7724 4.7724 4.7726 4.7726 5.6680 5.6680 5.6682 5.6682 5.8131 5.8131 5.8132 5.8132 5.9021 5.9021 5.9024 5.9024 7.1039 7.1039 7.1039 7.1039 7.8215 7.8215 7.8217 7.8217 9.0477 9.0477 9.0478 9.0478 9.9902 9.9902 9.9902 9.9902 11.2446 11.2446 11.2447 11.2447 13.3050 13.3050 k = 0.1333 0.3693 0.3054 ( 3504 PWs) bands (ev): -2.2333 -2.2333 -2.2332 -2.2332 -1.8237 -1.8237 -1.8236 -1.8236 4.1223 4.1223 4.1224 4.1224 4.8061 4.8061 4.8063 4.8063 5.6718 5.6718 5.6721 5.6721 5.8168 5.8168 5.8169 5.8169 5.9091 5.9091 5.9094 5.9094 7.0643 7.0643 7.0644 7.0644 7.9433 7.9433 7.9435 7.9435 9.1499 9.1499 9.1500 9.1500 9.9737 9.9737 9.9738 9.9738 11.2305 11.2305 11.2306 11.2306 13.2947 13.2948 k = 0.1222 0.3693 0.3054 ( 3504 PWs) bands (ev): -2.2497 -2.2497 -2.2496 -2.2496 -1.8500 -1.8500 -1.8499 -1.8499 4.1178 4.1178 4.1179 4.1179 4.8381 4.8381 4.8384 4.8384 5.6752 5.6752 5.6754 5.6754 5.8205 5.8205 5.8206 5.8206 5.9159 5.9159 5.9161 5.9161 7.0242 7.0242 7.0243 7.0243 8.0635 8.0635 8.0637 8.0637 9.2511 9.2511 9.2512 9.2512 9.9587 9.9587 9.9588 9.9588 11.2185 11.2185 11.2186 11.2186 13.2821 13.2821 k = 0.1111 0.3693 0.3054 ( 3504 PWs) bands (ev): -2.2648 -2.2648 -2.2647 -2.2647 -1.8741 -1.8741 -1.8740 -1.8740 4.1132 4.1132 4.1134 4.1134 4.8683 4.8683 4.8685 4.8685 5.6781 5.6781 5.6783 5.6783 5.8242 5.8242 5.8243 5.8243 5.9224 5.9224 5.9226 5.9226 6.9845 6.9845 6.9846 6.9846 8.1807 8.1807 8.1809 8.1809 9.3493 9.3493 9.3494 9.3494 9.9454 9.9454 9.9454 9.9454 11.2088 11.2088 11.2089 11.2089 13.2673 13.2673 k = 0.1000 0.3693 0.3054 ( 3500 PWs) bands (ev): -2.2786 -2.2786 -2.2785 -2.2785 -1.8960 -1.8960 -1.8960 -1.8960 4.1088 4.1088 4.1089 4.1089 4.8965 4.8965 4.8967 4.8967 5.6806 5.6806 5.6808 5.6808 5.8281 5.8281 5.8282 5.8282 5.9286 5.9286 5.9288 5.9288 6.9460 6.9460 6.9460 6.9460 8.2936 8.2936 8.2937 8.2937 9.4427 9.4427 9.4427 9.4427 9.9341 9.9341 9.9342 9.9342 11.2015 11.2015 11.2016 11.2016 13.2508 13.2508 k = 0.0889 0.3693 0.3054 ( 3504 PWs) bands (ev): -2.2911 -2.2911 -2.2910 -2.2910 -1.9158 -1.9158 -1.9157 -1.9157 4.1045 4.1045 4.1047 4.1047 4.9224 4.9224 4.9226 4.9226 5.6827 5.6827 5.6829 5.6829 5.8320 5.8320 5.8321 5.8321 5.9344 5.9344 5.9346 5.9346 6.9092 6.9092 6.9092 6.9092 8.4008 8.4008 8.4009 8.4009 9.5289 9.5289 9.5290 9.5290 9.9257 9.9257 9.9258 9.9258 11.1967 11.1967 11.1968 11.1968 13.2331 13.2331 k = 0.0778 0.3693 0.3054 ( 3496 PWs) bands (ev): -2.3021 -2.3021 -2.3020 -2.3020 -1.9332 -1.9332 -1.9332 -1.9332 4.1006 4.1006 4.1007 4.1007 4.9459 4.9459 4.9461 4.9461 5.6845 5.6845 5.6847 5.6847 5.8359 5.8359 5.8360 5.8360 5.9399 5.9399 5.9401 5.9401 6.8748 6.8748 6.8749 6.8749 8.5008 8.5008 8.5009 8.5009 9.6052 9.6052 9.6052 9.6052 9.9214 9.9214 9.9215 9.9215 11.1943 11.1943 11.1944 11.1944 13.2147 13.2148 k = 0.0667 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.3118 -2.3118 -2.3117 -2.3117 -1.9484 -1.9484 -1.9484 -1.9484 4.0969 4.0969 4.0971 4.0971 4.9667 4.9667 4.9670 4.9670 5.6860 5.6860 5.6862 5.6862 5.8397 5.8397 5.8398 5.8398 5.9450 5.9450 5.9451 5.9451 6.8435 6.8435 6.8435 6.8435 8.5922 8.5922 8.5923 8.5923 9.6682 9.6682 9.6682 9.6682 9.9232 9.9232 9.9233 9.9233 11.1941 11.1941 11.1942 11.1942 13.1964 13.1964 k = 0.0556 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3200 -2.3200 -2.3199 -2.3199 -1.9613 -1.9613 -1.9613 -1.9613 4.0938 4.0938 4.0939 4.0939 4.9847 4.9847 4.9850 4.9850 5.6872 5.6872 5.6875 5.6875 5.8432 5.8432 5.8434 5.8434 5.9496 5.9496 5.9497 5.9497 6.8157 6.8157 6.8157 6.8157 8.6734 8.6734 8.6735 8.6735 9.7145 9.7145 9.7146 9.7146 9.9332 9.9332 9.9333 9.9333 11.1957 11.1957 11.1958 11.1958 13.1789 13.1790 k = 0.0444 0.3693 0.3054 ( 3484 PWs) bands (ev): -2.3268 -2.3268 -2.3266 -2.3266 -1.9719 -1.9719 -1.9718 -1.9718 4.0911 4.0911 4.0912 4.0912 4.9997 4.9997 5.0000 5.0000 5.6882 5.6882 5.6884 5.6884 5.8464 5.8464 5.8465 5.8465 5.9536 5.9536 5.9538 5.9538 6.7921 6.7921 6.7921 6.7921 8.7428 8.7428 8.7429 8.7429 9.7434 9.7434 9.7435 9.7435 9.9512 9.9512 9.9513 9.9513 11.1985 11.1985 11.1987 11.1987 13.1630 13.1631 k = 0.0333 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3320 -2.3320 -2.3319 -2.3319 -1.9802 -1.9802 -1.9801 -1.9801 4.0890 4.0890 4.0891 4.0891 5.0114 5.0114 5.0117 5.0117 5.6889 5.6889 5.6892 5.6892 5.8490 5.8490 5.8491 5.8491 5.9569 5.9569 5.9571 5.9571 6.7730 6.7730 6.7731 6.7731 8.7988 8.7988 8.7990 8.7990 9.7583 9.7583 9.7584 9.7584 9.9732 9.9732 9.9733 9.9733 11.2019 11.2019 11.2020 11.2020 13.1496 13.1497 k = 0.0222 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3358 -2.3358 -2.3357 -2.3357 -1.9861 -1.9861 -1.9860 -1.9860 4.0875 4.0875 4.0876 4.0876 5.0199 5.0199 5.0202 5.0202 5.6894 5.6894 5.6897 5.6897 5.8509 5.8509 5.8511 5.8511 5.9594 5.9594 5.9595 5.9595 6.7591 6.7591 6.7591 6.7591 8.8401 8.8401 8.8403 8.8403 9.7648 9.7648 9.7649 9.7649 9.9931 9.9931 9.9932 9.9932 11.2050 11.2050 11.2051 11.2051 13.1395 13.1395 k = 0.0111 0.3693 0.3054 ( 3492 PWs) bands (ev): -2.3381 -2.3381 -2.3379 -2.3379 -1.9896 -1.9896 -1.9895 -1.9895 4.0865 4.0865 4.0867 4.0867 5.0250 5.0250 5.0253 5.0253 5.6897 5.6897 5.6900 5.6900 5.8521 5.8521 5.8522 5.8522 5.9609 5.9609 5.9611 5.9611 6.7506 6.7506 6.7506 6.7506 8.8655 8.8655 8.8656 8.8656 9.7672 9.7672 9.7673 9.7673 10.0065 10.0065 10.0066 10.0066 11.2072 11.2072 11.2073 11.2073 13.1331 13.1332 k = 0.0000 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3388 -2.3388 -2.3387 -2.3387 -1.9908 -1.9908 -1.9907 -1.9907 4.0862 4.0862 4.0864 4.0864 5.0268 5.0268 5.0270 5.0270 5.6898 5.6898 5.6901 5.6901 5.8525 5.8525 5.8527 5.8527 5.9614 5.9614 5.9616 5.9616 6.7477 6.7477 6.7477 6.7477 8.8740 8.8740 8.8741 8.8741 9.7677 9.7677 9.7678 9.7678 10.0112 10.0112 10.0113 10.0113 11.2080 11.2080 11.2081 11.2081 13.1309 13.1310 k = 0.0000 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3388 -2.3388 -2.3387 -2.3387 -1.9908 -1.9908 -1.9907 -1.9907 4.0862 4.0862 4.0864 4.0864 5.0268 5.0268 5.0270 5.0270 5.6898 5.6898 5.6901 5.6901 5.8525 5.8525 5.8527 5.8527 5.9614 5.9614 5.9616 5.9616 6.7477 6.7477 6.7477 6.7477 8.8740 8.8740 8.8741 8.8741 9.7677 9.7677 9.7678 9.7678 10.0112 10.0112 10.0113 10.0113 11.2080 11.2080 11.2081 11.2081 13.1309 13.1309 k = 0.0000 0.3581 0.3054 ( 3488 PWs) bands (ev): -2.3561 -2.3561 -2.3560 -2.3560 -1.9716 -1.9716 -1.9715 -1.9715 4.0858 4.0858 4.0859 4.0859 5.0270 5.0270 5.0273 5.0273 5.6888 5.6888 5.6891 5.6891 5.8520 5.8520 5.8522 5.8522 5.9609 5.9609 5.9611 5.9611 6.7493 6.7493 6.7493 6.7493 8.8717 8.8717 8.8718 8.8718 9.7633 9.7633 9.7634 9.7634 10.0052 10.0052 10.0053 10.0053 11.2148 11.2148 11.2149 11.2149 13.1344 13.1344 k = 0.0000 0.3469 0.3054 ( 3490 PWs) bands (ev): -2.3996 -2.3996 -2.3995 -2.3995 -1.9223 -1.9223 -1.9222 -1.9222 4.0845 4.0845 4.0847 4.0847 5.0279 5.0279 5.0281 5.0281 5.6858 5.6858 5.6860 5.6860 5.8506 5.8506 5.8507 5.8507 5.9595 5.9595 5.9597 5.9597 6.7541 6.7541 6.7541 6.7541 8.8645 8.8645 8.8646 8.8646 9.7502 9.7502 9.7503 9.7503 9.9876 9.9876 9.9877 9.9877 11.2347 11.2347 11.2348 11.2348 13.1443 13.1444 k = 0.0000 0.3357 0.3054 ( 3486 PWs) bands (ev): -2.4565 -2.4565 -2.4564 -2.4564 -1.8558 -1.8558 -1.8557 -1.8557 4.0824 4.0824 4.0826 4.0826 5.0292 5.0292 5.0295 5.0295 5.6807 5.6807 5.6810 5.6810 5.8482 5.8482 5.8484 5.8484 5.9573 5.9573 5.9574 5.9574 6.7617 6.7617 6.7618 6.7618 8.8518 8.8518 8.8519 8.8519 9.7296 9.7296 9.7297 9.7297 9.9599 9.9599 9.9600 9.9600 11.2669 11.2669 11.2670 11.2670 13.1596 13.1596 k = 0.0000 0.3245 0.3054 ( 3478 PWs) bands (ev): -2.5191 -2.5191 -2.5190 -2.5190 -1.7799 -1.7799 -1.7798 -1.7798 4.0796 4.0796 4.0797 4.0797 5.0312 5.0312 5.0315 5.0315 5.6735 5.6735 5.6738 5.6738 5.8451 5.8451 5.8453 5.8453 5.9543 5.9543 5.9545 5.9545 6.7719 6.7719 6.7720 6.7720 8.8327 8.8327 8.8328 8.8328 9.7029 9.7029 9.7030 9.7030 9.9246 9.9246 9.9247 9.9247 11.3099 11.3099 11.3101 11.3101 13.1784 13.1785 k = 0.0000 0.3133 0.3054 ( 3482 PWs) bands (ev): -2.5836 -2.5836 -2.5835 -2.5835 -1.6982 -1.6982 -1.6982 -1.6982 4.0759 4.0759 4.0760 4.0760 5.0336 5.0336 5.0339 5.0339 5.6642 5.6642 5.6645 5.6645 5.8413 5.8413 5.8415 5.8415 5.9508 5.9508 5.9510 5.9510 6.7843 6.7843 6.7843 6.7843 8.8058 8.8058 8.8059 8.8059 9.6718 9.6718 9.6719 9.6719 9.8845 9.8845 9.8846 9.8846 11.3624 11.3624 11.3626 11.3626 13.1987 13.1988 k = 0.0000 0.3021 0.3054 ( 3494 PWs) bands (ev): -2.6483 -2.6483 -2.6482 -2.6482 -1.6128 -1.6128 -1.6127 -1.6127 4.0714 4.0714 4.0716 4.0716 5.0365 5.0365 5.0368 5.0368 5.6528 5.6528 5.6531 5.6531 5.8369 5.8369 5.8371 5.8371 5.9469 5.9469 5.9470 5.9470 6.7982 6.7982 6.7983 6.7983 8.7697 8.7697 8.7698 8.7698 9.6379 9.6379 9.6380 9.6380 9.8428 9.8428 9.8429 9.8429 11.4229 11.4229 11.4230 11.4230 13.2184 13.2184 k = 0.0000 0.2910 0.3054 ( 3490 PWs) bands (ev): -2.7122 -2.7122 -2.7121 -2.7121 -1.5245 -1.5245 -1.5244 -1.5244 4.0664 4.0664 4.0665 4.0665 5.0400 5.0400 5.0403 5.0403 5.6395 5.6395 5.6398 5.6398 5.8322 5.8322 5.8324 5.8324 5.9427 5.9427 5.9429 5.9429 6.8131 6.8131 6.8132 6.8132 8.7235 8.7235 8.7236 8.7236 9.6020 9.6020 9.6021 9.6021 9.8033 9.8033 9.8033 9.8033 11.4900 11.4900 11.4901 11.4901 13.2354 13.2354 k = 0.0000 0.2798 0.3054 ( 3486 PWs) bands (ev): -2.7748 -2.7748 -2.7747 -2.7747 -1.4341 -1.4341 -1.4340 -1.4340 4.0607 4.0607 4.0608 4.0608 5.0439 5.0439 5.0442 5.0442 5.6241 5.6241 5.6244 5.6244 5.8273 5.8273 5.8274 5.8274 5.9384 5.9384 5.9385 5.9385 6.8284 6.8284 6.8285 6.8285 8.6666 8.6666 8.6667 8.6667 9.5643 9.5643 9.5644 9.5644 9.7695 9.7695 9.7695 9.7695 11.5625 11.5625 11.5626 11.5626 13.2483 13.2483 k = 0.0000 0.2686 0.3054 ( 3490 PWs) bands (ev): -2.8357 -2.8357 -2.8356 -2.8356 -1.3420 -1.3420 -1.3419 -1.3419 4.0545 4.0545 4.0546 4.0546 5.0482 5.0482 5.0485 5.0485 5.6069 5.6069 5.6071 5.6071 5.8221 5.8221 5.8223 5.8223 5.9339 5.9339 5.9341 5.9341 6.8434 6.8434 6.8435 6.8435 8.5994 8.5994 8.5994 8.5994 9.5242 9.5242 9.5243 9.5243 9.7447 9.7447 9.7447 9.7447 11.6395 11.6395 11.6396 11.6396 13.2559 13.2560 k = 0.0000 0.2574 0.3054 ( 3480 PWs) bands (ev): -2.8947 -2.8947 -2.8946 -2.8946 -1.2485 -1.2485 -1.2484 -1.2484 4.0478 4.0478 4.0479 4.0479 5.0530 5.0530 5.0533 5.0533 5.5879 5.5879 5.5882 5.5882 5.8169 5.8169 5.8171 5.8171 5.9293 5.9293 5.9295 5.9295 6.8574 6.8574 6.8575 6.8575 8.5230 8.5230 8.5231 8.5231 9.4812 9.4812 9.4813 9.4813 9.7309 9.7309 9.7309 9.7309 11.7200 11.7200 11.7201 11.7201 13.2579 13.2579 k = 0.0000 0.2462 0.3054 ( 3480 PWs) bands (ev): -2.9516 -2.9516 -2.9515 -2.9515 -1.1539 -1.1539 -1.1538 -1.1538 4.0407 4.0407 4.0408 4.0408 5.0581 5.0581 5.0583 5.0583 5.5672 5.5672 5.5675 5.5675 5.8117 5.8117 5.8118 5.8118 5.9246 5.9246 5.9248 5.9248 6.8697 6.8697 6.8698 6.8698 8.4395 8.4395 8.4395 8.4395 9.4357 9.4357 9.4358 9.4358 9.7283 9.7283 9.7283 9.7283 11.8033 11.8033 11.8034 11.8034 13.2540 13.2541 k = 0.0000 0.2350 0.3054 ( 3486 PWs) bands (ev): -3.0064 -3.0064 -3.0063 -3.0063 -1.0586 -1.0586 -1.0585 -1.0585 4.0333 4.0333 4.0334 4.0334 5.0635 5.0635 5.0638 5.0638 5.5449 5.5449 5.5451 5.5451 5.8064 5.8064 5.8065 5.8065 5.9198 5.9198 5.9200 5.9200 6.8795 6.8795 6.8795 6.8795 8.3510 8.3510 8.3511 8.3511 9.3886 9.3886 9.3887 9.3887 9.7360 9.7360 9.7361 9.7361 11.8887 11.8887 11.8889 11.8889 13.2448 13.2448 k = 0.0000 0.2238 0.3054 ( 3484 PWs) bands (ev): -3.0590 -3.0590 -3.0589 -3.0589 -0.9628 -0.9628 -0.9628 -0.9628 4.0256 4.0256 4.0258 4.0258 5.0692 5.0692 5.0695 5.0695 5.5210 5.5210 5.5213 5.5213 5.8011 5.8011 5.8012 5.8012 5.9150 5.9150 5.9151 5.9151 6.8859 6.8859 6.8860 6.8860 8.2603 8.2603 8.2604 8.2604 9.3408 9.3408 9.3409 9.3409 9.7528 9.7528 9.7528 9.7528 11.9757 11.9757 11.9758 11.9758 13.2307 13.2307 k = 0.0000 0.2126 0.3054 ( 3484 PWs) bands (ev): -3.1092 -3.1092 -3.1091 -3.1091 -0.8669 -0.8669 -0.8668 -0.8668 4.0179 4.0179 4.0180 4.0180 5.0752 5.0752 5.0755 5.0755 5.4956 5.4956 5.4959 5.4959 5.7958 5.7958 5.7959 5.7959 5.9100 5.9100 5.9101 5.9101 6.8882 6.8882 6.8883 6.8883 8.1698 8.1698 8.1699 8.1699 9.2932 9.2932 9.2932 9.2932 9.7772 9.7772 9.7773 9.7773 12.0636 12.0636 12.0637 12.0637 13.2124 13.2124 k = 0.0000 0.2014 0.3054 ( 3488 PWs) bands (ev): -3.1570 -3.1570 -3.1569 -3.1569 -0.7711 -0.7711 -0.7710 -0.7710 4.0101 4.0101 4.0102 4.0102 5.0813 5.0813 5.0816 5.0816 5.4687 5.4687 5.4689 5.4689 5.7906 5.7906 5.7907 5.7907 5.9049 5.9049 5.9050 5.9050 6.8855 6.8855 6.8856 6.8856 8.0821 8.0821 8.0822 8.0822 9.2463 9.2463 9.2464 9.2464 9.8081 9.8081 9.8082 9.8082 12.1519 12.1519 12.1521 12.1521 13.1908 13.1908 k = 0.0000 0.1902 0.3054 ( 3480 PWs) bands (ev): -3.2025 -3.2025 -3.2024 -3.2024 -0.6757 -0.6757 -0.6756 -0.6756 4.0024 4.0024 4.0025 4.0025 5.0876 5.0876 5.0879 5.0879 5.4403 5.4403 5.4405 5.4405 5.7854 5.7854 5.7855 5.7855 5.8997 5.8997 5.8998 5.8998 6.8770 6.8770 6.8771 6.8771 7.9994 7.9994 7.9995 7.9995 9.2007 9.2007 9.2008 9.2008 9.8444 9.8444 9.8445 9.8445 12.2401 12.2401 12.2402 12.2402 13.1664 13.1665 k = 0.0000 0.1790 0.3054 ( 3484 PWs) bands (ev): -3.2454 -3.2454 -3.2453 -3.2453 -0.5812 -0.5812 -0.5811 -0.5811 3.9949 3.9949 3.9950 3.9950 5.0938 5.0938 5.0941 5.0941 5.4102 5.4102 5.4104 5.4104 5.7802 5.7802 5.7804 5.7804 5.8944 5.8944 5.8945 5.8945 6.8620 6.8620 6.8621 6.8621 7.9238 7.9238 7.9238 7.9238 9.1567 9.1567 9.1568 9.1568 9.8852 9.8852 9.8853 9.8853 12.3276 12.3276 12.3277 12.3277 13.1401 13.1401 k = 0.0000 0.1679 0.3054 ( 3486 PWs) bands (ev): -3.2859 -3.2859 -3.2858 -3.2858 -0.4879 -0.4879 -0.4879 -0.4879 3.9877 3.9877 3.9878 3.9878 5.0998 5.0998 5.1001 5.1001 5.3787 5.3787 5.3788 5.3788 5.7752 5.7752 5.7753 5.7753 5.8890 5.8890 5.8891 5.8891 6.8404 6.8404 6.8405 6.8405 7.8567 7.8567 7.8568 7.8568 9.1146 9.1146 9.1147 9.1147 9.9298 9.9298 9.9298 9.9298 12.4137 12.4137 12.4138 12.4138 13.1124 13.1124 k = 0.0000 0.1567 0.3054 ( 3490 PWs) bands (ev): -3.3239 -3.3239 -3.3238 -3.3238 -0.3964 -0.3964 -0.3963 -0.3963 3.9808 3.9808 3.9809 3.9809 5.1054 5.1054 5.1057 5.1057 5.3457 5.3457 5.3458 5.3458 5.7701 5.7701 5.7703 5.7703 5.8835 5.8835 5.8836 5.8836 6.8122 6.8122 6.8123 6.8123 7.7991 7.7991 7.7992 7.7992 9.0745 9.0745 9.0746 9.0746 9.9772 9.9772 9.9773 9.9773 12.4979 12.4979 12.4980 12.4980 13.0840 13.0841 k = 0.0000 0.1455 0.3054 ( 3490 PWs) bands (ev): -3.3594 -3.3594 -3.3593 -3.3593 -0.3069 -0.3069 -0.3069 -0.3069 3.9745 3.9745 3.9745 3.9745 5.1104 5.1104 5.1107 5.1107 5.3115 5.3115 5.3116 5.3116 5.7653 5.7653 5.7654 5.7654 5.8780 5.8780 5.8781 5.8781 6.7783 6.7783 6.7785 6.7785 7.7512 7.7512 7.7512 7.7512 9.0367 9.0367 9.0368 9.0368 10.0269 10.0269 10.0269 10.0269 12.5793 12.5793 12.5794 12.5794 13.0557 13.0557 k = 0.0000 0.1343 0.3054 ( 3488 PWs) bands (ev): -3.3923 -3.3923 -3.3922 -3.3922 -0.2202 -0.2202 -0.2201 -0.2201 3.9686 3.9686 3.9687 3.9687 5.1142 5.1142 5.1145 5.1145 5.2768 5.2768 5.2768 5.2768 5.7606 5.7606 5.7607 5.7607 5.8725 5.8725 5.8727 5.8727 6.7401 6.7401 6.7403 6.7403 7.7125 7.7125 7.7125 7.7125 9.0012 9.0012 9.0013 9.0013 10.0779 10.0779 10.0780 10.0780 12.6567 12.6567 12.6568 12.6568 13.0283 13.0283 k = 0.0000 0.1231 0.3054 ( 3488 PWs) bands (ev): -3.4226 -3.4226 -3.4225 -3.4225 -0.1367 -0.1367 -0.1366 -0.1366 3.9634 3.9634 3.9635 3.9635 5.1156 5.1156 5.1159 5.1159 5.2428 5.2428 5.2428 5.2428 5.7560 5.7560 5.7562 5.7562 5.8670 5.8670 5.8672 5.8672 6.6993 6.6993 6.6994 6.6994 7.6819 7.6819 7.6820 7.6820 8.9682 8.9682 8.9683 8.9683 10.1297 10.1297 10.1297 10.1297 12.7282 12.7282 12.7283 12.7283 13.0037 13.0038 k = 0.0000 0.1119 0.3054 ( 3494 PWs) bands (ev): -3.4503 -3.4503 -3.4502 -3.4502 -0.0571 -0.0571 -0.0570 -0.0570 3.9589 3.9589 3.9589 3.9589 5.1121 5.1121 5.1123 5.1123 5.2124 5.2124 5.2124 5.2124 5.7517 5.7517 5.7519 5.7519 5.8616 5.8616 5.8618 5.8618 6.6575 6.6575 6.6577 6.6577 7.6584 7.6584 7.6585 7.6585 8.9378 8.9378 8.9379 8.9379 10.1813 10.1813 10.1814 10.1814 12.7897 12.7897 12.7898 12.7898 12.9858 12.9858 k = 0.0000 0.1007 0.3054 ( 3498 PWs) bands (ev): -3.4754 -3.4754 -3.4753 -3.4753 0.0180 0.0180 0.0181 0.0181 3.9551 3.9551 3.9551 3.9551 5.0992 5.0992 5.0993 5.0993 5.1905 5.1905 5.1906 5.1906 5.7476 5.7476 5.7478 5.7478 5.8564 5.8564 5.8566 5.8566 6.6165 6.6165 6.6167 6.6167 7.6406 7.6406 7.6407 7.6407 8.9101 8.9101 8.9102 8.9102 10.2320 10.2320 10.2321 10.2321 12.8318 12.8318 12.8318 12.8318 12.9838 12.9838 k = 0.0000 0.0895 0.3054 ( 3494 PWs) bands (ev): -3.4979 -3.4979 -3.4978 -3.4978 0.0879 0.0879 0.0880 0.0880 3.9520 3.9520 3.9521 3.9521 5.0750 5.0750 5.0751 5.0751 5.1797 5.1797 5.1799 5.1799 5.7439 5.7439 5.7441 5.7441 5.8514 5.8514 5.8517 5.8517 6.5778 6.5778 6.5780 6.5780 7.6273 7.6273 7.6274 7.6274 8.8851 8.8851 8.8852 8.8852 10.2810 10.2810 10.2810 10.2810 12.8442 12.8442 12.8442 12.8442 13.0075 13.0075 k = 0.0000 0.0783 0.3054 ( 3498 PWs) bands (ev): -3.5178 -3.5178 -3.5177 -3.5177 0.1519 0.1519 0.1519 0.1519 3.9497 3.9497 3.9497 3.9497 5.0438 5.0438 5.0439 5.0439 5.1764 5.1764 5.1767 5.1767 5.7404 5.7404 5.7407 5.7407 5.8467 5.8467 5.8470 5.8470 6.5423 6.5423 6.5425 6.5425 7.6176 7.6176 7.6177 7.6177 8.8629 8.8629 8.8630 8.8630 10.3272 10.3272 10.3272 10.3272 12.8355 12.8355 12.8355 12.8355 13.0483 13.0483 k = 0.0000 0.0671 0.3054 ( 3502 PWs) bands (ev): -3.5351 -3.5351 -3.5350 -3.5350 0.2092 0.2092 0.2093 0.2093 3.9480 3.9480 3.9481 3.9481 5.0107 5.0107 5.0108 5.0108 5.1766 5.1766 5.1769 5.1769 5.7374 5.7374 5.7377 5.7377 5.8425 5.8425 5.8427 5.8427 6.5108 6.5108 6.5111 6.5111 7.6105 7.6105 7.6105 7.6105 8.8436 8.8436 8.8436 8.8436 10.3698 10.3698 10.3698 10.3698 12.8192 12.8192 12.8192 12.8192 13.0925 13.0925 k = 0.0000 0.0560 0.3054 ( 3510 PWs) bands (ev): -3.5497 -3.5497 -3.5496 -3.5496 0.2592 0.2592 0.2592 0.2592 3.9469 3.9469 3.9470 3.9470 4.9789 4.9789 4.9791 4.9791 5.1781 5.1781 5.1784 5.1784 5.7347 5.7347 5.7350 5.7350 5.8386 5.8386 5.8389 5.8389 6.4838 6.4838 6.4841 6.4841 7.6054 7.6054 7.6055 7.6055 8.8271 8.8271 8.8272 8.8272 10.4078 10.4078 10.4078 10.4078 12.8016 12.8016 12.8016 12.8016 13.1337 13.1337 k = 0.0000 0.0448 0.3054 ( 3506 PWs) bands (ev): -3.5616 -3.5616 -3.5615 -3.5615 0.3012 0.3012 0.3012 0.3012 3.9463 3.9463 3.9465 3.9465 4.9505 4.9505 4.9507 4.9507 5.1799 5.1799 5.1802 5.1802 5.7325 5.7325 5.7328 5.7328 5.8354 5.8354 5.8357 5.8357 6.4617 6.4617 6.4620 6.4620 7.6018 7.6018 7.6019 7.6019 8.8136 8.8136 8.8137 8.8137 10.4404 10.4404 10.4405 10.4405 12.7852 12.7852 12.7852 12.7852 13.1694 13.1694 k = 0.0000 0.0336 0.3054 ( 3502 PWs) bands (ev): -3.5709 -3.5709 -3.5708 -3.5708 0.3345 0.3345 0.3346 0.3346 3.9461 3.9461 3.9462 3.9462 4.9268 4.9268 4.9270 4.9270 5.1816 5.1816 5.1820 5.1820 5.7308 5.7308 5.7311 5.7311 5.8328 5.8328 5.8332 5.8332 6.4444 6.4444 6.4447 6.4447 7.5993 7.5993 7.5995 7.5995 8.8031 8.8031 8.8032 8.8032 10.4668 10.4668 10.4668 10.4668 12.7714 12.7714 12.7714 12.7714 13.1981 13.1981 k = 0.0000 0.0224 0.3054 ( 3516 PWs) bands (ev): -3.5776 -3.5776 -3.5775 -3.5775 0.3587 0.3587 0.3588 0.3588 3.9460 3.9460 3.9462 3.9462 4.9090 4.9090 4.9092 4.9092 5.1829 5.1829 5.1833 5.1833 5.7295 5.7295 5.7298 5.7298 5.8309 5.8309 5.8312 5.8312 6.4320 6.4320 6.4323 6.4323 7.5978 7.5978 7.5979 7.5979 8.7956 8.7956 8.7956 8.7956 10.4862 10.4862 10.4862 10.4862 12.7610 12.7610 12.7610 12.7610 13.2191 13.2191 k = 0.0000 0.0112 0.3054 ( 3520 PWs) bands (ev): -3.5816 -3.5816 -3.5815 -3.5815 0.3734 0.3734 0.3735 0.3735 3.9460 3.9460 3.9462 3.9462 4.8980 4.8980 4.8982 4.8982 5.1838 5.1838 5.1841 5.1841 5.7288 5.7288 5.7291 5.7291 5.8297 5.8297 5.8301 5.8301 6.4246 6.4246 6.4249 6.4249 7.5969 7.5969 7.5970 7.5970 8.7910 8.7910 8.7911 8.7911 10.4980 10.4980 10.4981 10.4981 12.7545 12.7545 12.7545 12.7545 13.2319 13.2319 k = 0.0000 0.0000 0.3054 ( 3520 PWs) bands (ev): -3.5829 -3.5829 -3.5828 -3.5828 0.3783 0.3783 0.3784 0.3784 3.9461 3.9461 3.9462 3.9462 4.8943 4.8943 4.8945 4.8945 5.1841 5.1841 5.1844 5.1844 5.7285 5.7285 5.7288 5.7288 5.8293 5.8293 5.8297 5.8297 6.4221 6.4221 6.4225 6.4225 7.5966 7.5966 7.5967 7.5967 8.7895 8.7895 8.7896 8.7896 10.5020 10.5020 10.5021 10.5021 12.7523 12.7523 12.7524 12.7524 13.2362 13.2362 k = 0.0000 0.3693-0.0000 ( 3472 PWs) bands (ev): -3.0585 -3.0585 -3.0585 -3.0585 -0.7271 -0.7271 -0.7271 -0.7271 3.2967 3.2967 3.2968 3.2968 5.0711 5.0711 5.0714 5.0714 5.4243 5.4243 5.4246 5.4246 5.7099 5.7099 5.7102 5.7102 5.8408 5.8408 5.8411 5.8411 6.2348 6.2348 6.2351 6.2351 9.1340 9.1340 9.1341 9.1341 9.5489 9.5489 9.5489 9.5489 11.9243 11.9243 11.9244 11.9244 12.1040 12.1040 12.1041 12.1041 12.7357 12.7357 k = 0.0000 0.3693 0.0109 ( 3468 PWs) bands (ev): -3.0573 -3.0573 -3.0573 -3.0573 -0.7304 -0.7304 -0.7304 -0.7304 3.3000 3.3000 3.3001 3.3001 5.0710 5.0710 5.0713 5.0713 5.4248 5.4248 5.4251 5.4251 5.7102 5.7102 5.7105 5.7105 5.8411 5.8411 5.8414 5.8414 6.2357 6.2357 6.2360 6.2360 9.1333 9.1333 9.1334 9.1334 9.5495 9.5495 9.5496 9.5496 11.9205 11.9205 11.9206 11.9206 12.0961 12.0961 12.0962 12.0962 12.7395 12.7395 k = 0.0000 0.3693 0.0218 ( 3466 PWs) bands (ev): -3.0538 -3.0538 -3.0538 -3.0538 -0.7403 -0.7403 -0.7402 -0.7402 3.3098 3.3098 3.3099 3.3099 5.0705 5.0705 5.0709 5.0709 5.4262 5.4262 5.4265 5.4265 5.7112 5.7112 5.7116 5.7116 5.8419 5.8419 5.8423 5.8423 6.2384 6.2384 6.2387 6.2387 9.1313 9.1313 9.1313 9.1313 9.5516 9.5516 9.5516 9.5516 11.9086 11.9086 11.9087 11.9087 12.0737 12.0737 12.0738 12.0738 12.7503 12.7503 k = 0.0000 0.3693 0.0327 ( 3474 PWs) bands (ev): -3.0480 -3.0480 -3.0480 -3.0480 -0.7565 -0.7565 -0.7565 -0.7565 3.3259 3.3259 3.3260 3.3260 5.0698 5.0698 5.0701 5.0701 5.4286 5.4286 5.4289 5.4289 5.7129 5.7129 5.7132 5.7132 5.8432 5.8432 5.8436 5.8436 6.2429 6.2429 6.2432 6.2432 9.1278 9.1278 9.1279 9.1279 9.5550 9.5550 9.5550 9.5550 11.8873 11.8873 11.8873 11.8873 12.0399 12.0399 12.0400 12.0400 12.7666 12.7666 k = 0.0000 0.3693 0.0436 ( 3478 PWs) bands (ev): -3.0399 -3.0399 -3.0399 -3.0399 -0.7790 -0.7790 -0.7789 -0.7789 3.3480 3.3480 3.3480 3.3480 5.0688 5.0688 5.0691 5.0691 5.4321 5.4321 5.4323 5.4323 5.7151 5.7151 5.7154 5.7154 5.8451 5.8451 5.8455 5.8455 6.2492 6.2492 6.2495 6.2495 9.1230 9.1230 9.1231 9.1231 9.5597 9.5597 9.5598 9.5598 11.8540 11.8540 11.8541 11.8541 11.9999 11.9999 12.0000 12.0000 12.7866 12.7866 k = 0.0000 0.3693 0.0545 ( 3478 PWs) bands (ev): -3.0295 -3.0295 -3.0295 -3.0295 -0.8072 -0.8072 -0.8072 -0.8072 3.3755 3.3755 3.3755 3.3755 5.0675 5.0675 5.0679 5.0679 5.4367 5.4367 5.4370 5.4370 5.7179 5.7179 5.7182 5.7182 5.8476 5.8476 5.8479 5.8479 6.2573 6.2573 6.2576 6.2576 9.1170 9.1170 9.1170 9.1170 9.5658 9.5658 9.5659 9.5659 11.8059 11.8059 11.8060 11.8060 11.9588 11.9588 11.9589 11.9589 12.8087 12.8087 k = 0.0000 0.3693 0.0655 ( 3486 PWs) bands (ev): -3.0168 -3.0168 -3.0168 -3.0168 -0.8409 -0.8409 -0.8409 -0.8409 3.4079 3.4079 3.4080 3.4080 5.0660 5.0660 5.0663 5.0663 5.4426 5.4426 5.4428 5.4428 5.7212 5.7212 5.7215 5.7215 5.8504 5.8504 5.8508 5.8508 6.2672 6.2672 6.2675 6.2675 9.1096 9.1096 9.1097 9.1097 9.5732 9.5732 9.5732 9.5732 11.7423 11.7423 11.7424 11.7424 11.9196 11.9196 11.9197 11.9197 12.8318 12.8318 k = 0.0000 0.3693 0.0764 ( 3486 PWs) bands (ev): -3.0018 -3.0018 -3.0018 -3.0018 -0.8796 -0.8796 -0.8796 -0.8796 3.4446 3.4446 3.4446 3.4446 5.0643 5.0643 5.0646 5.0646 5.4499 5.4499 5.4501 5.4501 5.7250 5.7250 5.7253 5.7253 5.8538 5.8538 5.8541 5.8541 6.2790 6.2790 6.2793 6.2793 9.1011 9.1011 9.1012 9.1012 9.5819 9.5819 9.5819 9.5819 11.6654 11.6654 11.6654 11.6654 11.8821 11.8821 11.8822 11.8822 12.8551 12.8551 k = 0.0000 0.3693 0.0873 ( 3490 PWs) bands (ev): -2.9846 -2.9846 -2.9845 -2.9845 -0.9229 -0.9229 -0.9229 -0.9229 3.4848 3.4848 3.4848 3.4848 5.0624 5.0624 5.0627 5.0627 5.4586 5.4586 5.4588 5.4588 5.7291 5.7291 5.7294 5.7294 5.8575 5.8575 5.8578 5.8578 6.2925 6.2925 6.2928 6.2928 9.0915 9.0915 9.0916 9.0916 9.5918 9.5918 9.5918 9.5918 11.5782 11.5782 11.5783 11.5783 11.8449 11.8449 11.8450 11.8450 12.8781 12.8781 k = 0.0000 0.3693 0.0982 ( 3490 PWs) bands (ev): -2.9651 -2.9651 -2.9650 -2.9650 -0.9702 -0.9702 -0.9702 -0.9702 3.5277 3.5277 3.5278 3.5278 5.0603 5.0603 5.0606 5.0606 5.4689 5.4689 5.4691 5.4691 5.7336 5.7336 5.7338 5.7338 5.8616 5.8616 5.8619 5.8619 6.3080 6.3080 6.3082 6.3082 9.0809 9.0809 9.0810 9.0810 9.6028 9.6028 9.6029 9.6029 11.4835 11.4835 11.4835 11.4835 11.8070 11.8070 11.8070 11.8070 12.9005 12.9005 k = 0.0000 0.3693 0.1091 ( 3494 PWs) bands (ev): -2.9434 -2.9434 -2.9433 -2.9433 -1.0211 -1.0211 -1.0211 -1.0211 3.5727 3.5727 3.5727 3.5727 5.0580 5.0580 5.0583 5.0583 5.4808 5.4808 5.4810 5.4810 5.7384 5.7384 5.7386 5.7386 5.8661 5.8661 5.8664 5.8664 6.3252 6.3252 6.3255 6.3255 9.0694 9.0694 9.0694 9.0694 9.6150 9.6150 9.6150 9.6150 11.3830 11.3830 11.3831 11.3831 11.7679 11.7679 11.7680 11.7680 12.9221 12.9222 k = 0.0000 0.3693 0.1200 ( 3498 PWs) bands (ev): -2.9195 -2.9195 -2.9194 -2.9194 -1.0751 -1.0751 -1.0750 -1.0750 3.6188 3.6188 3.6188 3.6188 5.0557 5.0557 5.0560 5.0560 5.4943 5.4943 5.4945 5.4945 5.7434 5.7434 5.7436 5.7436 5.8708 5.8708 5.8711 5.8711 6.3443 6.3443 6.3445 6.3445 9.0570 9.0570 9.0571 9.0571 9.6282 9.6282 9.6282 9.6282 11.2785 11.2785 11.2785 11.2785 11.7276 11.7276 11.7277 11.7277 12.9430 12.9430 k = 0.0000 0.3693 0.1309 ( 3496 PWs) bands (ev): -2.8934 -2.8934 -2.8934 -2.8934 -1.1316 -1.1316 -1.1316 -1.1316 3.6653 3.6653 3.6653 3.6653 5.0532 5.0532 5.0535 5.0535 5.5093 5.5093 5.5095 5.5095 5.7489 5.7489 5.7491 5.7491 5.8758 5.8758 5.8761 5.8761 6.3652 6.3652 6.3654 6.3654 9.0440 9.0440 9.0441 9.0441 9.6422 9.6422 9.6423 9.6423 11.1710 11.1710 11.1710 11.1710 11.6864 11.6864 11.6865 11.6865 12.9629 12.9630 k = 0.0000 0.3693 0.1418 ( 3496 PWs) bands (ev): -2.8652 -2.8652 -2.8652 -2.8652 -1.1904 -1.1904 -1.1904 -1.1904 3.7114 3.7114 3.7115 3.7115 5.0508 5.0508 5.0511 5.0511 5.5256 5.5256 5.5258 5.5258 5.7546 5.7546 5.7548 5.7548 5.8811 5.8811 5.8813 5.8813 6.3879 6.3879 6.3881 6.3881 9.0305 9.0305 9.0305 9.0305 9.6570 9.6570 9.6571 9.6571 11.0617 11.0617 11.0618 11.0618 11.6443 11.6443 11.6444 11.6444 12.9820 12.9820 k = 0.0000 0.3693 0.1527 ( 3500 PWs) bands (ev): -2.8350 -2.8350 -2.8349 -2.8349 -1.2509 -1.2509 -1.2509 -1.2509 3.7566 3.7566 3.7566 3.7566 5.0483 5.0483 5.0486 5.0486 5.5429 5.5429 5.5431 5.5431 5.7607 5.7607 5.7609 5.7609 5.8865 5.8865 5.8868 5.8868 6.4123 6.4123 6.4125 6.4125 9.0165 9.0165 9.0166 9.0166 9.6724 9.6724 9.6725 9.6725 10.9518 10.9518 10.9519 10.9519 11.6019 11.6019 11.6020 11.6020 13.0001 13.0001 k = 0.0000 0.3693 0.1636 ( 3496 PWs) bands (ev): -2.8027 -2.8027 -2.8027 -2.8027 -1.3128 -1.3128 -1.3127 -1.3127 3.8001 3.8001 3.8002 3.8002 5.0458 5.0458 5.0461 5.0461 5.5610 5.5610 5.5612 5.5612 5.7673 5.7673 5.7675 5.7675 5.8922 5.8922 5.8924 5.8924 6.4385 6.4385 6.4386 6.4386 9.0023 9.0023 9.0024 9.0024 9.6882 9.6882 9.6883 9.6883 10.8423 10.8423 10.8424 10.8424 11.5594 11.5594 11.5595 11.5595 13.0172 13.0173 k = 0.0000 0.3693 0.1745 ( 3496 PWs) bands (ev): -2.7685 -2.7685 -2.7685 -2.7685 -1.3755 -1.3755 -1.3755 -1.3755 3.8415 3.8415 3.8415 3.8415 5.0434 5.0434 5.0437 5.0437 5.5793 5.5793 5.5795 5.5795 5.7745 5.7745 5.7746 5.7746 5.8980 5.8980 5.8983 5.8983 6.4661 6.4661 6.4663 6.4663 8.9880 8.9880 8.9881 8.9881 9.7041 9.7041 9.7042 9.7042 10.7344 10.7344 10.7344 10.7344 11.5174 11.5174 11.5175 11.5175 13.0333 13.0334 k = 0.0000 0.3693 0.1854 ( 3488 PWs) bands (ev): -2.7325 -2.7325 -2.7324 -2.7324 -1.4388 -1.4388 -1.4388 -1.4388 3.8802 3.8802 3.8803 3.8803 5.0410 5.0410 5.0413 5.0413 5.5973 5.5973 5.5975 5.5975 5.7822 5.7822 5.7824 5.7824 5.9041 5.9041 5.9043 5.9043 6.4952 6.4952 6.4953 6.4953 8.9738 8.9738 8.9739 8.9739 9.7199 9.7199 9.7200 9.7200 10.6290 10.6290 10.6291 10.6291 11.4761 11.4761 11.4762 11.4762 13.0484 13.0484 k = 0.0000 0.3693 0.1964 ( 3480 PWs) bands (ev): -2.6947 -2.6947 -2.6946 -2.6946 -1.5023 -1.5023 -1.5023 -1.5023 3.9160 3.9160 3.9161 3.9161 5.0389 5.0389 5.0392 5.0392 5.6143 5.6143 5.6146 5.6146 5.7906 5.7906 5.7907 5.7907 5.9103 5.9103 5.9105 5.9105 6.5254 6.5254 6.5255 6.5255 8.9598 8.9598 8.9599 8.9599 9.7352 9.7352 9.7352 9.7352 10.5275 10.5275 10.5276 10.5276 11.4362 11.4362 11.4363 11.4363 13.0623 13.0623 k = 0.0000 0.3693 0.2073 ( 3482 PWs) bands (ev): -2.6553 -2.6553 -2.6552 -2.6552 -1.5656 -1.5656 -1.5656 -1.5656 3.9486 3.9486 3.9487 3.9487 5.0367 5.0367 5.0370 5.0370 5.6300 5.6300 5.6303 5.6303 5.7994 5.7994 5.7996 5.7996 5.9167 5.9167 5.9169 5.9169 6.5563 6.5563 6.5563 6.5563 8.9462 8.9462 8.9463 8.9463 9.7495 9.7495 9.7495 9.7495 10.4313 10.4313 10.4314 10.4314 11.3979 11.3979 11.3980 11.3980 13.0750 13.0751 k = 0.0000 0.3693 0.2182 ( 3478 PWs) bands (ev): -2.6145 -2.6145 -2.6144 -2.6144 -1.6283 -1.6283 -1.6283 -1.6283 3.9778 3.9778 3.9779 3.9779 5.0348 5.0348 5.0351 5.0351 5.6439 5.6439 5.6442 5.6442 5.8085 5.8085 5.8087 5.8087 5.9233 5.9233 5.9235 5.9235 6.5875 6.5875 6.5875 6.5875 8.9332 8.9332 8.9333 8.9333 9.7622 9.7622 9.7623 9.7623 10.3417 10.3417 10.3417 10.3417 11.3619 11.3619 11.3620 11.3620 13.0866 13.0866 k = 0.0000 0.3693 0.2291 ( 3478 PWs) bands (ev): -2.5725 -2.5725 -2.5725 -2.5725 -1.6900 -1.6900 -1.6900 -1.6900 4.0035 4.0035 4.0037 4.0037 5.0330 5.0330 5.0333 5.0333 5.6558 5.6558 5.6561 5.6561 5.8176 5.8176 5.8177 5.8177 5.9300 5.9300 5.9302 5.9302 6.6182 6.6182 6.6182 6.6182 8.9210 8.9210 8.9210 8.9210 9.7728 9.7728 9.7729 9.7729 10.2603 10.2603 10.2604 10.2604 11.3286 11.3286 11.3287 11.3287 13.0968 13.0969 k = 0.0000 0.3693 0.2400 ( 3474 PWs) bands (ev): -2.5299 -2.5299 -2.5298 -2.5298 -1.7501 -1.7501 -1.7500 -1.7500 4.0257 4.0257 4.0258 4.0258 5.0314 5.0314 5.0317 5.0317 5.6657 5.6657 5.6659 5.6659 5.8262 5.8262 5.8264 5.8264 5.9367 5.9367 5.9369 5.9369 6.6477 6.6477 6.6477 6.6477 8.9097 8.9097 8.9097 8.9097 9.7804 9.7804 9.7805 9.7805 10.1889 10.1889 10.1889 10.1889 11.2985 11.2985 11.2986 11.2986 13.1058 13.1058 k = 0.0000 0.3693 0.2509 ( 3474 PWs) bands (ev): -2.4871 -2.4871 -2.4871 -2.4871 -1.8078 -1.8078 -1.8077 -1.8077 4.0444 4.0444 4.0445 4.0445 5.0300 5.0300 5.0303 5.0303 5.6736 5.6736 5.6739 5.6739 5.8340 5.8340 5.8341 5.8341 5.9432 5.9432 5.9433 5.9433 6.6752 6.6752 6.6752 6.6752 8.8995 8.8995 8.8996 8.8996 9.7843 9.7843 9.7844 9.7844 10.1291 10.1291 10.1291 10.1291 11.2720 11.2720 11.2721 11.2721 13.1134 13.1135 k = 0.0000 0.3693 0.2618 ( 3480 PWs) bands (ev): -2.4452 -2.4452 -2.4452 -2.4452 -1.8620 -1.8620 -1.8620 -1.8620 4.0596 4.0596 4.0597 4.0597 5.0289 5.0289 5.0292 5.0292 5.6797 5.6797 5.6800 5.6800 5.8405 5.8405 5.8407 5.8407 5.9491 5.9491 5.9492 5.9492 6.6995 6.6995 6.6995 6.6995 8.8908 8.8908 8.8909 8.8909 9.7840 9.7840 9.7841 9.7841 10.0822 10.0822 10.0822 10.0822 11.2496 11.2496 11.2497 11.2497 13.1198 13.1198 k = 0.0000 0.3693 0.2727 ( 3482 PWs) bands (ev): -2.4059 -2.4059 -2.4058 -2.4058 -1.9111 -1.9111 -1.9110 -1.9110 4.0713 4.0713 4.0714 4.0714 5.0280 5.0280 5.0283 5.0283 5.6843 5.6843 5.6845 5.6845 5.8458 5.8458 5.8459 5.8459 5.9542 5.9542 5.9544 5.9544 6.7198 6.7198 6.7198 6.7198 8.8836 8.8836 8.8838 8.8838 9.7802 9.7802 9.7803 9.7803 10.0484 10.0484 10.0485 10.0485 11.2317 11.2317 11.2318 11.2318 13.1246 13.1247 k = 0.0000 0.3693 0.2836 ( 3486 PWs) bands (ev): -2.3719 -2.3719 -2.3718 -2.3718 -1.9521 -1.9521 -1.9520 -1.9520 4.0796 4.0796 4.0797 4.0797 5.0273 5.0273 5.0276 5.0276 5.6874 5.6874 5.6877 5.6877 5.8495 5.8495 5.8497 5.8497 5.9581 5.9581 5.9583 5.9583 6.7350 6.7350 6.7350 6.7350 8.8784 8.8784 8.8785 8.8785 9.7745 9.7745 9.7746 9.7746 10.0267 10.0267 10.0268 10.0268 11.2186 11.2186 11.2188 11.2188 13.1281 13.1282 k = 0.0000 0.3693 0.2945 ( 3494 PWs) bands (ev): -2.3478 -2.3478 -2.3477 -2.3477 -1.9804 -1.9804 -1.9803 -1.9803 4.0845 4.0845 4.0847 4.0847 5.0269 5.0269 5.0272 5.0272 5.6892 5.6892 5.6895 5.6895 5.8517 5.8517 5.8519 5.8519 5.9605 5.9605 5.9607 5.9607 6.7445 6.7445 6.7445 6.7445 8.8751 8.8751 8.8752 8.8752 9.7696 9.7696 9.7697 9.7697 10.0149 10.0149 10.0150 10.0150 11.2107 11.2107 11.2108 11.2108 13.1302 13.1303 k = 0.0000 0.3693 0.3054 ( 3488 PWs) bands (ev): -2.3388 -2.3388 -2.3387 -2.3387 -1.9908 -1.9908 -1.9907 -1.9907 4.0862 4.0862 4.0864 4.0864 5.0268 5.0268 5.0270 5.0270 5.6898 5.6898 5.6901 5.6901 5.8525 5.8525 5.8527 5.8527 5.9614 5.9614 5.9616 5.9616 6.7477 6.7477 6.7477 6.7477 8.8740 8.8740 8.8741 8.8741 9.7677 9.7677 9.7678 9.7678 10.0112 10.0112 10.0113 10.0113 11.2080 11.2080 11.2081 11.2081 13.1309 13.1310 k = 0.5000-0.0000 0.3054 ( 3500 PWs) bands (ev): -2.1930 -2.1930 -2.1917 -2.1917 -0.1309 -0.1309 -0.1266 -0.1266 3.4418 3.4418 3.4590 3.4590 4.9817 4.9817 4.9935 4.9935 5.6960 5.6960 5.7279 5.7279 5.8074 5.8074 5.8158 5.8158 6.0160 6.0160 6.0306 6.0306 6.0868 6.0868 6.1255 6.1255 7.1003 7.1003 7.1309 7.1309 7.6182 7.6182 7.6564 7.6564 8.3706 8.3706 8.3779 8.3779 10.7677 10.7677 10.8325 10.8325 12.6774 12.6774 k = 0.5000-0.0000 0.2945 ( 3512 PWs) bands (ev): -2.1938 -2.1938 -2.1926 -2.1926 -0.1292 -0.1292 -0.1249 -0.1249 3.4427 3.4427 3.4599 3.4599 4.9811 4.9811 4.9929 4.9929 5.6948 5.6948 5.7264 5.7264 5.8042 5.8042 5.8128 5.8128 6.0194 6.0194 6.0338 6.0338 6.0868 6.0868 6.1255 6.1255 7.0983 7.0983 7.1293 7.1293 7.6166 7.6166 7.6547 7.6547 8.3717 8.3717 8.3792 8.3792 10.7692 10.7692 10.8341 10.8341 12.6784 12.6784 k = 0.5000-0.0000 0.2836 ( 3504 PWs) bands (ev): -2.1964 -2.1964 -2.1951 -2.1951 -0.1240 -0.1240 -0.1198 -0.1198 3.4457 3.4457 3.4628 3.4628 4.9796 4.9796 4.9913 4.9913 5.6914 5.6914 5.7221 5.7221 5.7954 5.7954 5.8046 5.8046 6.0289 6.0289 6.0427 6.0427 6.0874 6.0874 6.1256 6.1256 7.0923 7.0923 7.1244 7.1244 7.6119 7.6119 7.6496 7.6496 8.3753 8.3753 8.3832 8.3832 10.7738 10.7738 10.8386 10.8386 12.6812 12.6812 k = 0.5000-0.0000 0.2727 ( 3498 PWs) bands (ev): -2.2006 -2.2006 -2.1994 -2.1994 -0.1156 -0.1156 -0.1114 -0.1114 3.4506 3.4506 3.4675 3.4675 4.9769 4.9769 4.9886 4.9886 5.6858 5.6858 5.7149 5.7149 5.7828 5.7828 5.7924 5.7924 6.0421 6.0421 6.0560 6.0560 6.0889 6.0889 6.1258 6.1258 7.0819 7.0819 7.1160 7.1160 7.6043 7.6043 7.6411 7.6411 8.3818 8.3818 8.3904 8.3904 10.7813 10.7813 10.8461 10.8461 12.6847 12.6847 k = 0.5000-0.0000 0.2618 ( 3498 PWs) bands (ev): -2.2064 -2.2064 -2.2052 -2.2052 -0.1040 -0.1040 -0.0998 -0.0998 3.4575 3.4575 3.4742 3.4742 4.9733 4.9733 4.9849 4.9849 5.6779 5.6779 5.7044 5.7044 5.7681 5.7681 5.7776 5.7776 6.0554 6.0554 6.0718 6.0718 6.0931 6.0931 6.1262 6.1262 7.0668 7.0668 7.1037 7.1037 7.5941 7.5941 7.6295 7.6295 8.3922 8.3922 8.4015 8.4015 10.7916 10.7916 10.8563 10.8563 12.6873 12.6873 k = 0.5000-0.0000 0.2509 ( 3498 PWs) bands (ev): -2.2137 -2.2137 -2.2125 -2.2125 -0.0893 -0.0893 -0.0852 -0.0852 3.4665 3.4665 3.4828 3.4828 4.9686 4.9686 4.9802 4.9802 5.6679 5.6679 5.6907 5.6907 5.7527 5.7527 5.7613 5.7613 6.0644 6.0644 6.0883 6.0883 6.1032 6.1032 6.1274 6.1274 7.0466 7.0466 7.0870 7.0870 7.5820 7.5820 7.6152 7.6152 8.4073 8.4073 8.4172 8.4172 10.8043 10.8043 10.8689 10.8689 12.6868 12.6868 k = 0.5000-0.0000 0.2400 ( 3506 PWs) bands (ev): -2.2222 -2.2222 -2.2211 -2.2211 -0.0719 -0.0719 -0.0678 -0.0678 3.4775 3.4775 3.4934 3.4934 4.9631 4.9631 4.9745 4.9745 5.6559 5.6559 5.6742 5.6742 5.7373 5.7373 5.7442 5.7442 6.0678 6.0678 6.1030 6.1030 6.1193 6.1193 6.1308 6.1308 7.0209 7.0209 7.0655 7.0655 7.5687 7.5687 7.5988 7.5988 8.4280 8.4280 8.4382 8.4382 10.8193 10.8193 10.8838 10.8838 12.6810 12.6810 k = 0.5000-0.0000 0.2291 ( 3498 PWs) bands (ev): -2.2319 -2.2319 -2.2308 -2.2308 -0.0519 -0.0519 -0.0479 -0.0479 3.4906 3.4906 3.5060 3.5060 4.9567 4.9567 4.9680 4.9680 5.6423 5.6423 5.6553 5.6553 5.7220 5.7220 5.7268 5.7268 6.0680 6.0680 6.1121 6.1121 6.1381 6.1381 6.1392 6.1392 6.9897 6.9897 7.0391 7.0391 7.5550 7.5550 7.5813 7.5813 8.4548 8.4548 8.4651 8.4651 10.8361 10.8361 10.9005 10.9005 12.6677 12.6677 k = 0.5000-0.0000 0.2182 ( 3506 PWs) bands (ev): -2.2426 -2.2426 -2.2415 -2.2415 -0.0297 -0.0297 -0.0258 -0.0258 3.5058 3.5058 3.5207 3.5207 4.9495 4.9495 4.9607 4.9607 5.6271 5.6271 5.6347 5.6347 5.7064 5.7064 5.7090 5.7090 6.0665 6.0665 6.1153 6.1153 6.1519 6.1519 6.1571 6.1571 6.9535 6.9535 7.0078 7.0078 7.5417 7.5417 7.5637 7.5637 8.4880 8.4880 8.4981 8.4981 10.8543 10.8543 10.9187 10.9187 12.6451 12.6451 k = 0.5000-0.0000 0.2073 ( 3508 PWs) bands (ev): -2.2541 -2.2541 -2.2531 -2.2531 -0.0055 -0.0055 -0.0017 -0.0017 3.5232 3.5232 3.5374 3.5374 4.9418 4.9418 4.9528 4.9528 5.6110 5.6110 5.6129 5.6129 5.6904 5.6904 5.6909 5.6909 6.0640 6.0640 6.1159 6.1159 6.1645 6.1645 6.1751 6.1751 6.9133 6.9133 6.9721 6.9721 7.5293 7.5293 7.5468 7.5468 8.5277 8.5277 8.5374 8.5374 10.8736 10.8736 10.9379 10.9379 12.6122 12.6122 k = 0.5000-0.0000 0.1964 ( 3502 PWs) bands (ev): -2.2662 -2.2662 -2.2652 -2.2652 0.0202 0.0202 0.0239 0.0239 3.5429 3.5429 3.5564 3.5564 4.9335 4.9335 4.9444 4.9444 5.5902 5.5902 5.5942 5.5942 5.6720 5.6720 5.6739 5.6739 6.0605 6.0605 6.1155 6.1155 6.1747 6.1747 6.1910 6.1910 6.8708 6.8708 6.9331 6.9331 7.5182 7.5182 7.5313 7.5313 8.5738 8.5738 8.5828 8.5828 10.8934 10.8934 10.9577 10.9577 12.5687 12.5687 k = 0.5000-0.0000 0.1854 ( 3502 PWs) bands (ev): -2.2787 -2.2787 -2.2778 -2.2778 0.0473 0.0473 0.0508 0.0508 3.5647 3.5647 3.5774 3.5774 4.9247 4.9247 4.9355 4.9355 5.5666 5.5666 5.5769 5.5769 5.6521 5.6521 5.6565 5.6565 6.0561 6.0561 6.1142 6.1142 6.1807 6.1807 6.2041 6.2041 6.8279 6.8279 6.8924 6.8924 7.5085 7.5085 7.5175 7.5175 8.6260 8.6260 8.6342 8.6342 10.9130 10.9130 10.9773 10.9773 12.5154 12.5154 k = 0.5000-0.0000 0.1745 ( 3498 PWs) bands (ev): -2.2915 -2.2915 -2.2907 -2.2907 0.0753 0.0753 0.0787 0.0787 3.5889 3.5889 3.6008 3.6008 4.9157 4.9157 4.9262 4.9262 5.5423 5.5423 5.5594 5.5594 5.6309 5.6309 5.6382 5.6382 6.0506 6.0506 6.1121 6.1121 6.1817 6.1817 6.2135 6.2135 6.7873 6.7873 6.8521 6.8521 7.5001 7.5001 7.5055 7.5055 8.6840 8.6840 8.6914 8.6914 10.9318 10.9318 10.9960 10.9960 12.4537 12.4537 k = 0.5000-0.0000 0.1636 ( 3494 PWs) bands (ev): -2.3044 -2.3044 -2.3036 -2.3036 0.1038 0.1038 0.1071 0.1071 3.6153 3.6153 3.6263 3.6263 4.9064 4.9064 4.9168 4.9168 5.5168 5.5168 5.5417 5.5417 5.6079 5.6079 5.6192 5.6192 6.0439 6.0439 6.1084 6.1084 6.1771 6.1771 6.2187 6.2187 6.7513 6.7513 6.8142 6.8142 7.4930 7.4930 7.4954 7.4954 8.7475 8.7475 8.7540 8.7540 10.9487 10.9487 11.0127 11.0127 12.3858 12.3858 k = 0.5000-0.0000 0.1527 ( 3498 PWs) bands (ev): -2.3172 -2.3172 -2.3164 -2.3164 0.1325 0.1325 0.1356 0.1356 3.6440 3.6440 3.6540 3.6540 4.8970 4.8970 4.9072 4.9072 5.4898 5.4898 5.5235 5.5235 5.5830 5.5830 5.5995 5.5995 6.0355 6.0355 6.1020 6.1020 6.1678 6.1678 6.2193 6.2193 6.7219 6.7219 6.7809 6.7809 7.4868 7.4868 7.4870 7.4870 8.8160 8.8160 8.8217 8.8217 10.9625 10.9625 11.0261 11.0261 12.3142 12.3142 k = 0.5000-0.0000 0.1418 ( 3498 PWs) bands (ev): -2.3297 -2.3297 -2.3290 -2.3290 0.1611 0.1611 0.1641 0.1641 3.6750 3.6750 3.6839 3.6839 4.8877 4.8877 4.8977 4.8977 5.4607 5.4607 5.5040 5.5040 5.5567 5.5567 5.5795 5.5795 6.0253 6.0253 6.0906 6.0906 6.1565 6.1565 6.2156 6.2156 6.7002 6.7002 6.7534 6.7534 7.4797 7.4797 7.4818 7.4818 8.8892 8.8892 8.8942 8.8942 10.9717 10.9717 11.0345 11.0345 12.2419 12.2419 k = 0.5000-0.0000 0.1309 ( 3498 PWs) bands (ev): -2.3419 -2.3419 -2.3413 -2.3413 0.1892 0.1892 0.1920 0.1920 3.7081 3.7081 3.7159 3.7159 4.8784 4.8784 4.8883 4.8883 5.4287 5.4287 5.4810 5.4810 5.5306 5.5306 5.5596 5.5596 6.0132 6.0132 6.0722 6.0722 6.1470 6.1470 6.2085 6.2085 6.6860 6.6860 6.7326 6.7326 7.4737 7.4737 7.4775 7.4775 8.9667 8.9667 8.9710 8.9710 10.9746 10.9746 11.0360 11.0360 12.1720 12.1720 k = 0.5000-0.0000 0.1200 ( 3506 PWs) bands (ev): -2.3536 -2.3536 -2.3530 -2.3530 0.2165 0.2165 0.2191 0.2191 3.7433 3.7433 3.7498 3.7498 4.8694 4.8694 4.8790 4.8790 5.3934 5.3934 5.4508 5.4508 5.5078 5.5078 5.5403 5.5403 5.9992 5.9992 6.0477 6.0477 6.1407 6.1407 6.1991 6.1991 6.6783 6.6783 6.7183 6.7183 7.4688 7.4688 7.4737 7.4737 9.0481 9.0481 9.0518 9.0518 10.9690 10.9690 11.0281 11.0281 12.1077 12.1077 k = 0.5000-0.0000 0.1091 ( 3502 PWs) bands (ev): -2.3646 -2.3646 -2.3641 -2.3641 0.2426 0.2426 0.2450 0.2450 3.7802 3.7802 3.7856 3.7856 4.8607 4.8607 4.8702 4.8702 5.3544 5.3544 5.4123 5.4123 5.4898 5.4898 5.5221 5.5221 5.9837 5.9837 6.0203 6.0203 6.1369 6.1369 6.1890 6.1890 6.6757 6.6757 6.7095 6.7095 7.4648 7.4648 7.4704 7.4704 9.1331 9.1331 9.1363 9.1363 10.9531 10.9531 11.0087 11.0087 12.0522 12.0522 k = 0.5000-0.0000 0.0982 ( 3502 PWs) bands (ev): -2.3749 -2.3749 -2.3744 -2.3744 0.2673 0.2673 0.2694 0.2694 3.8188 3.8188 3.8229 3.8229 4.8524 4.8524 4.8617 4.8617 5.3118 5.3118 5.3669 5.3669 5.4755 5.4755 5.5053 5.5053 5.9674 5.9674 5.9929 5.9929 6.1347 6.1347 6.1792 6.1792 6.6769 6.6769 6.7052 6.7052 7.4615 7.4615 7.4675 7.4675 9.2212 9.2212 9.2241 9.2241 10.9251 10.9251 10.9761 10.9761 12.0077 12.0077 k = 0.5000-0.0000 0.0873 ( 3506 PWs) bands (ev): -2.3844 -2.3844 -2.3839 -2.3839 0.2902 0.2902 0.2921 0.2921 3.8584 3.8584 3.8612 3.8612 4.8445 4.8445 4.8537 4.8537 5.2662 5.2662 5.3166 5.3166 5.4636 5.4636 5.4901 5.4901 5.9511 5.9511 5.9676 5.9676 6.1334 6.1334 6.1705 6.1705 6.6804 6.6804 6.7040 6.7040 7.4589 7.4589 7.4649 7.4649 9.3119 9.3119 9.3146 9.3146 10.8841 10.8841 10.9296 10.9296 11.9752 11.9752 k = 0.5000-0.0000 0.0764 ( 3504 PWs) bands (ev): -2.3929 -2.3929 -2.3925 -2.3925 0.3111 0.3111 0.3128 0.3128 3.8985 3.8985 3.9002 3.9002 4.8371 4.8371 4.8461 4.8461 5.2189 5.2189 5.2635 5.2635 5.4537 5.4537 5.4766 5.4766 5.9355 5.9355 5.9454 5.9454 6.1327 6.1327 6.1630 6.1630 6.6854 6.6854 6.7050 6.7050 7.4568 7.4568 7.4626 7.4626 9.4049 9.4049 9.4075 9.4075 10.8306 10.8306 10.8699 10.8699 11.9544 11.9544 k = 0.5000-0.0000 0.0655 ( 3504 PWs) bands (ev): -2.4004 -2.4004 -2.4001 -2.4001 0.3298 0.3298 0.3313 0.3313 3.9382 3.9382 3.9388 3.9388 4.8302 4.8302 4.8391 4.8391 5.1715 5.1715 5.2096 5.2096 5.4454 5.4454 5.4647 5.4647 5.9213 5.9213 5.9266 5.9266 6.1324 6.1324 6.1567 6.1567 6.6911 6.6911 6.7071 6.7071 7.4552 7.4552 7.4606 7.4606 9.4993 9.4993 9.5020 9.5020 10.7658 10.7658 10.7989 10.7989 11.9436 11.9436 k = 0.5000-0.0000 0.0545 ( 3500 PWs) bands (ev): -2.4069 -2.4069 -2.4066 -2.4066 0.3459 0.3459 0.3472 0.3472 3.9762 3.9762 3.9765 3.9765 4.8240 4.8240 4.8326 4.8326 5.1259 5.1259 5.1573 5.1573 5.4386 5.4386 5.4545 5.4545 5.9090 5.9090 5.9114 5.9114 6.1325 6.1325 6.1516 6.1516 6.6968 6.6968 6.7097 6.7097 7.4540 7.4540 7.4588 7.4588 9.5943 9.5943 9.5972 9.5972 10.6923 10.6923 10.7195 10.7195 11.9402 11.9402 k = 0.5000-0.0000 0.0436 ( 3498 PWs) bands (ev): -2.4123 -2.4123 -2.4120 -2.4120 0.3595 0.3595 0.3605 0.3605 4.0109 4.0109 4.0119 4.0119 4.8183 4.8183 4.8264 4.8264 5.0844 5.0844 5.1089 5.1089 5.4334 5.4334 5.4460 5.4460 5.8987 5.8987 5.8995 5.8995 6.1328 6.1328 6.1473 6.1473 6.7022 6.7022 6.7122 6.7122 7.4532 7.4532 7.4573 7.4573 9.6884 9.6884 9.6916 9.6916 10.6132 10.6132 10.6351 10.6351 11.9418 11.9418 k = 0.5000-0.0000 0.0327 ( 3498 PWs) bands (ev): -2.4165 -2.4165 -2.4163 -2.4163 0.3702 0.3702 0.3710 0.3710 4.0412 4.0412 4.0426 4.0426 4.8136 4.8136 4.8208 4.8208 5.0493 5.0493 5.0671 5.0671 5.4297 5.4297 5.4390 5.4390 5.8905 5.8905 5.8908 5.8908 6.1334 6.1334 6.1439 6.1439 6.7069 6.7069 6.7143 6.7143 7.4527 7.4527 7.4559 7.4559 9.7792 9.7792 9.7827 9.7827 10.5326 10.5326 10.5497 10.5497 11.9459 11.9459 k = 0.5000-0.0000 0.0218 ( 3502 PWs) bands (ev): -2.4195 -2.4195 -2.4194 -2.4194 0.3780 0.3780 0.3785 0.3785 4.0652 4.0652 4.0665 4.0665 4.8101 4.8101 4.8156 4.8156 5.0229 5.0229 5.0343 5.0343 5.4274 5.4274 5.4336 5.4336 5.8844 5.8844 5.8849 5.8849 6.1343 6.1343 6.1411 6.1411 6.7108 6.7108 6.7156 6.7156 7.4526 7.4526 7.4548 7.4548 9.8617 9.8617 9.8652 9.8652 10.4572 10.4572 10.4695 10.4695 11.9505 11.9505 k = 0.5000-0.0000 0.0109 ( 3486 PWs) bands (ev): -2.4213 -2.4213 -2.4212 -2.4212 0.3827 0.3827 0.3830 0.3830 4.0809 4.0809 4.0817 4.0817 4.8085 4.8085 4.8115 4.8115 5.0073 5.0073 5.0128 5.0128 5.4267 5.4267 5.4298 5.4298 5.8809 5.8809 5.8813 5.8813 6.1355 6.1355 6.1388 6.1388 6.7137 6.7137 6.7161 6.7161 7.4528 7.4528 7.4539 7.4539 9.9257 9.9257 9.9282 9.9282 10.3990 10.3990 10.4058 10.4058 11.9544 11.9544 k = 0.5000-0.0000-0.0000 ( 3486 PWs) bands (ev): -2.4219 -2.4219 -2.4218 -2.4218 0.3844 0.3844 0.3845 0.3845 4.0866 4.0866 4.0867 4.0867 4.8088 4.8088 4.8090 4.8090 5.0037 5.0037 5.0038 5.0038 5.4274 5.4274 5.4276 5.4276 5.8798 5.8798 5.8801 5.8801 6.1368 6.1368 6.1372 6.1372 6.7153 6.7153 6.7155 6.7155 7.4532 7.4532 7.4532 7.4532 9.9523 9.9523 9.9524 9.9524 10.3777 10.3777 10.3778 10.3778 11.9565 11.9565 k = 0.5000 0.3693-0.0000 ( 3488 PWs) bands (ev): -1.7771 -1.7771 -1.7758 -1.7758 -0.5549 -0.5549 -0.5460 -0.5460 4.1293 4.1293 4.1551 4.1551 4.9405 4.9405 4.9842 4.9842 5.0105 5.0105 5.0494 5.0494 5.3638 5.3638 5.4120 5.4120 5.8730 5.8730 5.8935 5.8935 6.0636 6.0636 6.1183 6.1183 6.4574 6.4574 6.5890 6.5890 6.6002 6.6002 6.6171 6.6171 8.5397 8.5397 8.5772 8.5772 13.0070 13.0070 13.0724 13.0724 13.4786 13.4786 k = 0.5000 0.3693 0.0109 ( 3492 PWs) bands (ev): -1.7766 -1.7766 -1.7753 -1.7753 -0.5550 -0.5550 -0.5461 -0.5461 4.1279 4.1279 4.1537 4.1537 4.8977 4.8977 4.9176 4.9176 5.0673 5.0673 5.0834 5.0834 5.3713 5.3713 5.4186 5.4186 5.8731 5.8731 5.8938 5.8938 6.0631 6.0631 6.1184 6.1184 6.4470 6.4470 6.5615 6.5615 6.6148 6.6148 6.6482 6.6482 8.5453 8.5453 8.5824 8.5824 13.0054 13.0054 13.0708 13.0708 13.4771 13.4771 k = 0.5000 0.3693 0.0218 ( 3484 PWs) bands (ev): -1.7750 -1.7750 -1.7737 -1.7737 -0.5553 -0.5553 -0.5464 -0.5464 4.1238 4.1238 4.1494 4.1494 4.8208 4.8208 4.8339 4.8339 5.1214 5.1214 5.1338 5.1338 5.3943 5.3943 5.4388 5.4388 5.8733 5.8733 5.8947 5.8947 6.0619 6.0619 6.1189 6.1189 6.4238 6.4238 6.5266 6.5266 6.6511 6.6511 6.6938 6.6938 8.5623 8.5623 8.5980 8.5980 13.0006 13.0006 13.0662 13.0662 13.4725 13.4725 k = 0.5000 0.3693 0.0327 ( 3480 PWs) bands (ev): -1.7724 -1.7724 -1.7711 -1.7711 -0.5558 -0.5558 -0.5470 -0.5470 4.1169 4.1169 4.1423 4.1423 4.7361 4.7361 4.7468 4.7468 5.1596 5.1596 5.1740 5.1740 5.4316 5.4316 5.4720 5.4720 5.8738 5.8738 5.8960 5.8960 6.0600 6.0600 6.1196 6.1196 6.3976 6.3976 6.4942 6.4942 6.6995 6.6995 6.7448 6.7448 8.5902 8.5902 8.6238 8.6238 12.9926 12.9926 13.0585 13.0585 13.4648 13.4648 k = 0.5000 0.3693 0.0436 ( 3484 PWs) bands (ev): -1.7687 -1.7687 -1.7675 -1.7675 -0.5565 -0.5565 -0.5478 -0.5478 4.1073 4.1073 4.1322 4.1322 4.6491 4.6491 4.6586 4.6586 5.1837 5.1837 5.2015 5.2015 5.4782 5.4782 5.5147 5.5147 5.8745 5.8745 5.8976 5.8976 6.0576 6.0576 6.1207 6.1207 6.3731 6.3731 6.4648 6.4648 6.7566 6.7566 6.8016 6.8016 8.6288 8.6288 8.6595 8.6595 12.9814 12.9814 13.0476 13.0476 13.4536 13.4536 k = 0.5000 0.3693 0.0545 ( 3484 PWs) bands (ev): -1.7641 -1.7641 -1.7629 -1.7629 -0.5574 -0.5574 -0.5488 -0.5488 4.0948 4.0948 4.1192 4.1192 4.5621 4.5621 4.5708 4.5708 5.1986 5.1986 5.2190 5.2190 5.5273 5.5273 5.5612 5.5612 5.8758 5.8758 5.8991 5.8991 6.0554 6.0554 6.1220 6.1220 6.3521 6.3521 6.4388 6.4388 6.8214 6.8214 6.8649 6.8649 8.6774 8.6774 8.7046 8.7046 12.9669 12.9669 13.0336 13.0336 13.4388 13.4388 k = 0.5000 0.3693 0.0655 ( 3488 PWs) bands (ev): -1.7585 -1.7585 -1.7573 -1.7573 -0.5586 -0.5586 -0.5501 -0.5501 4.0793 4.0793 4.1030 4.1030 4.4765 4.4765 4.4846 4.4846 5.2079 5.2079 5.2299 5.2299 5.5734 5.5734 5.6059 5.6059 5.8778 5.8778 5.8998 5.8998 6.0539 6.0539 6.1235 6.1235 6.3355 6.3355 6.4165 6.4165 6.8941 6.8941 6.9355 6.9355 8.7355 8.7355 8.7588 8.7588 12.9491 12.9491 13.0164 13.0164 13.4198 13.4198 k = 0.5000 0.3693 0.0764 ( 3492 PWs) bands (ev): -1.7521 -1.7521 -1.7509 -1.7509 -0.5600 -0.5600 -0.5516 -0.5516 4.0606 4.0606 4.0833 4.0833 4.3938 4.3938 4.4011 4.4011 5.2141 5.2141 5.2368 5.2368 5.6127 5.6127 5.6450 5.6450 5.8806 5.8806 5.8993 5.8993 6.0541 6.0541 6.1251 6.1251 6.3236 6.3236 6.3980 6.3980 6.9748 6.9748 7.0141 7.0141 8.8024 8.8024 8.8215 8.8215 12.9280 12.9280 12.9959 12.9959 13.3964 13.3964 k = 0.5000 0.3693 0.0873 ( 3488 PWs) bands (ev): -1.7447 -1.7447 -1.7436 -1.7436 -0.5616 -0.5616 -0.5534 -0.5534 4.0383 4.0383 4.0595 4.0595 4.3153 4.3153 4.3216 4.3216 5.2186 5.2186 5.2413 5.2413 5.6437 5.6437 5.6767 5.6767 5.8843 5.8843 5.8968 5.8968 6.0564 6.0564 6.1265 6.1265 6.3164 6.3164 6.3836 6.3836 7.0637 7.0637 7.1010 7.1010 8.8773 8.8773 8.8920 8.8920 12.9034 12.9034 12.9719 12.9719 13.3679 13.3679 k = 0.5000 0.3693 0.0982 ( 3484 PWs) bands (ev): -1.7366 -1.7366 -1.7355 -1.7355 -0.5635 -0.5635 -0.5555 -0.5555 4.0115 4.0115 4.0305 4.0305 4.2427 4.2427 4.2474 4.2474 5.2219 5.2219 5.2442 5.2442 5.6660 5.6660 5.7003 5.7003 5.8886 5.8886 5.8926 5.8926 6.0605 6.0605 6.1277 6.1277 6.3136 6.3136 6.3731 6.3731 7.1606 7.1606 7.1961 7.1961 8.9596 8.9596 8.9698 8.9698 12.8752 12.8752 12.9445 12.9445 13.3341 13.3341 k = 0.5000 0.3693 0.1091 ( 3480 PWs) bands (ev): -1.7278 -1.7278 -1.7268 -1.7268 -0.5656 -0.5656 -0.5578 -0.5578 3.9792 3.9792 3.9949 3.9949 4.1783 4.1783 4.1804 4.1804 5.2246 5.2246 5.2461 5.2461 5.6802 5.6802 5.7162 5.7162 5.8873 5.8873 5.8932 5.8932 6.0660 6.0660 6.1284 6.1284 6.3143 6.3143 6.3661 6.3661 7.2651 7.2651 7.2990 7.2990 9.0486 9.0486 9.0542 9.0542 12.8431 12.8431 12.9133 12.9133 13.2945 13.2945 k = 0.5000 0.3693 0.1200 ( 3480 PWs) bands (ev): -1.7184 -1.7184 -1.7174 -1.7174 -0.5679 -0.5679 -0.5604 -0.5604 3.9399 3.9399 3.9515 3.9515 4.1222 4.1222 4.1236 4.1236 5.2269 5.2269 5.2473 5.2473 5.6879 5.6879 5.7252 5.7252 5.8817 5.8817 5.8975 5.8975 6.0718 6.0718 6.1285 6.1285 6.3178 6.3178 6.3621 6.3621 7.3766 7.3766 7.4089 7.4089 9.1436 9.1436 9.1446 9.1446 12.8071 12.8071 12.8782 12.8782 13.2487 13.2487 k = 0.5000 0.3693 0.1309 ( 3476 PWs) bands (ev): -1.7084 -1.7084 -1.7075 -1.7075 -0.5705 -0.5705 -0.5632 -0.5632 3.8938 3.8938 3.9010 3.9010 4.0736 4.0736 4.0785 4.0785 5.2288 5.2288 5.2481 5.2481 5.6905 5.6905 5.7283 5.7283 5.8771 5.8771 5.9012 5.9012 6.0773 6.0773 6.1282 6.1282 6.3232 6.3232 6.3606 6.3606 7.4940 7.4940 7.5251 7.5251 9.2404 9.2404 9.2439 9.2439 12.7667 12.7667 12.8388 12.8388 13.1966 13.1966 k = 0.5000 0.3693 0.1418 ( 3488 PWs) bands (ev): -1.6981 -1.6981 -1.6972 -1.6972 -0.5733 -0.5733 -0.5664 -0.5664 3.8423 3.8423 3.8461 3.8461 4.0332 4.0332 4.0408 4.0408 5.2306 5.2306 5.2486 5.2486 5.6893 5.6893 5.7265 5.7265 5.8737 5.8737 5.9040 5.9040 6.0822 6.0822 6.1274 6.1274 6.3295 6.3295 6.3608 6.3608 7.6164 7.6164 7.6464 7.6464 9.3409 9.3409 9.3488 9.3488 12.7215 12.7215 12.7947 12.7947 13.1384 13.1384 k = 0.5000 0.3693 0.1527 ( 3488 PWs) bands (ev): -1.6874 -1.6874 -1.6866 -1.6866 -0.5764 -0.5764 -0.5697 -0.5697 3.7884 3.7884 3.7898 3.7898 3.9989 3.9989 4.0081 4.0081 5.2323 5.2323 5.2489 5.2489 5.6855 5.6855 5.7211 5.7211 5.8720 5.8720 5.9061 5.9061 6.0864 6.0864 6.1263 6.1263 6.3364 6.3364 6.3621 6.3621 7.7428 7.7428 7.7717 7.7717 9.4456 9.4456 9.4577 9.4577 12.6709 12.6709 12.7454 12.7454 13.0745 13.0745 k = 0.5000 0.3693 0.1636 ( 3496 PWs) bands (ev): -1.6766 -1.6766 -1.6758 -1.6758 -0.5796 -0.5796 -0.5732 -0.5732 3.7343 3.7343 3.7344 3.7344 3.9686 3.9686 3.9785 3.9785 5.2339 5.2339 5.2491 5.2491 5.6801 5.6801 5.7132 5.7132 5.8714 5.8714 5.9074 5.9074 6.0899 6.0899 6.1251 6.1251 6.3431 6.3431 6.3640 6.3640 7.8720 7.8720 7.8998 7.8998 9.5538 9.5538 9.5701 9.5701 12.6144 12.6144 12.6902 12.6902 13.0056 13.0056 k = 0.5000 0.3693 0.1745 ( 3500 PWs) bands (ev): -1.6657 -1.6657 -1.6650 -1.6650 -0.5829 -0.5829 -0.5769 -0.5769 3.6811 3.6811 3.6821 3.6821 3.9411 3.9411 3.9510 3.9510 5.2355 5.2355 5.2493 5.2493 5.6736 5.6736 5.7039 5.7039 5.8720 5.8720 5.9082 5.9082 6.0928 6.0928 6.1238 6.1238 6.3494 6.3494 6.3663 6.3663 8.0028 8.0028 8.0296 8.0296 9.6651 9.6651 9.6853 9.6853 12.5512 12.5512 12.6283 12.6283 12.9330 12.9330 k = 0.5000 0.3693 0.1854 ( 3504 PWs) bands (ev): -1.6549 -1.6549 -1.6543 -1.6543 -0.5863 -0.5863 -0.5808 -0.5808 3.6309 3.6309 3.6324 3.6324 3.9158 3.9158 3.9254 3.9254 5.2371 5.2371 5.2494 5.2494 5.6666 5.6666 5.6939 5.6939 5.8732 5.8732 5.9085 5.9085 6.0952 6.0952 6.1225 6.1225 6.3552 6.3552 6.3686 6.3686 8.1340 8.1340 8.1598 8.1598 9.7786 9.7786 9.8027 9.8027 12.4803 12.4803 12.5587 12.5587 12.8583 12.8583 k = 0.5000 0.3693 0.1964 ( 3500 PWs) bands (ev): -1.6443 -1.6443 -1.6437 -1.6437 -0.5898 -0.5898 -0.5846 -0.5846 3.5842 3.5842 3.5861 3.5861 3.8924 3.8924 3.9015 3.9015 5.2386 5.2386 5.2496 5.2496 5.6595 5.6595 5.6838 5.6838 5.8748 5.8748 5.9085 5.9085 6.0973 6.0973 6.1211 6.1211 6.3604 6.3604 6.3709 6.3709 8.2643 8.2643 8.2889 8.2889 9.8940 9.8940 9.9217 9.9217 12.4012 12.4012 12.4805 12.4805 12.7834 12.7834 k = 0.5000 0.3693 0.2073 ( 3500 PWs) bands (ev): -1.6341 -1.6341 -1.6336 -1.6336 -0.5933 -0.5933 -0.5885 -0.5885 3.5415 3.5415 3.5435 3.5435 3.8708 3.8708 3.8792 3.8792 5.2401 5.2401 5.2498 5.2498 5.6526 5.6526 5.6740 5.6740 5.8768 5.8768 5.9081 5.9081 6.0990 6.0990 6.1198 6.1198 6.3649 6.3649 6.3730 6.3730 8.3922 8.3922 8.4156 8.4156 10.0106 10.0106 10.0418 10.0418 12.3136 12.3136 12.3933 12.3933 12.7100 12.7100 k = 0.5000 0.3693 0.2182 ( 3508 PWs) bands (ev): -1.6245 -1.6245 -1.6240 -1.6240 -0.5966 -0.5966 -0.5923 -0.5923 3.5030 3.5030 3.5049 3.5049 3.8510 3.8510 3.8586 3.8586 5.2415 5.2415 5.2499 5.2499 5.6461 5.6461 5.6648 5.6648 5.8789 5.8789 5.9075 5.9075 6.1005 6.1005 6.1185 6.1185 6.3687 6.3687 6.3749 6.3749 8.5162 8.5162 8.5381 8.5381 10.1277 10.1277 10.1622 10.1622 12.2181 12.2181 12.2973 12.2973 12.6398 12.6398 k = 0.5000 0.3693 0.2291 ( 3504 PWs) bands (ev): -1.6155 -1.6155 -1.6151 -1.6151 -0.5998 -0.5998 -0.5960 -0.5960 3.4687 3.4687 3.4706 3.4706 3.8333 3.8333 3.8400 3.8400 5.2428 5.2428 5.2500 5.2500 5.6402 5.6402 5.6563 5.6563 5.8812 5.8812 5.9066 5.9066 6.1019 6.1019 6.1173 6.1173 6.3720 6.3720 6.3766 6.3766 8.6343 8.6343 8.6546 8.6546 10.2447 10.2447 10.2821 10.2821 12.1160 12.1160 12.1936 12.1936 12.5739 12.5739 k = 0.5000 0.3693 0.2400 ( 3504 PWs) bands (ev): -1.6074 -1.6074 -1.6070 -1.6070 -0.6027 -0.6027 -0.5994 -0.5994 3.4389 3.4389 3.4406 3.4406 3.8175 3.8175 3.8233 3.8233 5.2441 5.2441 5.2502 5.2502 5.6350 5.6350 5.6486 5.6486 5.8835 5.8835 5.9056 5.9056 6.1031 6.1031 6.1161 6.1161 6.3746 6.3746 6.3780 6.3780 8.7446 8.7446 8.7629 8.7629 10.3607 10.3607 10.4005 10.4005 12.0093 12.0093 12.0844 12.0844 12.5133 12.5133 k = 0.5000 0.3693 0.2509 ( 3496 PWs) bands (ev): -1.6002 -1.6002 -1.5999 -1.5999 -0.6053 -0.6053 -0.6026 -0.6026 3.4136 3.4136 3.4151 3.4151 3.8041 3.8041 3.8089 3.8089 5.2453 5.2453 5.2503 5.2503 5.6307 5.6307 5.6418 5.6418 5.8859 5.8859 5.9045 5.9045 6.1043 6.1043 6.1150 6.1150 6.3768 6.3768 6.3792 6.3792 8.8447 8.8447 8.8608 8.8608 10.4745 10.4745 10.5161 10.5161 11.9009 11.9009 11.9722 11.9722 12.4591 12.4591 k = 0.5000 0.3693 0.2618 ( 3488 PWs) bands (ev): -1.5941 -1.5941 -1.5939 -1.5939 -0.6075 -0.6075 -0.6053 -0.6053 3.3929 3.3929 3.3941 3.3941 3.7930 3.7930 3.7969 3.7969 5.2464 5.2464 5.2503 5.2503 5.6272 5.6272 5.6360 5.6360 5.8882 5.8882 5.9032 5.9032 6.1054 6.1054 6.1139 6.1139 6.3785 6.3785 6.3802 6.3802 8.9321 8.9321 8.9456 8.9456 10.5847 10.5847 10.6267 10.6267 11.7943 11.7943 11.8602 11.8602 12.4125 12.4125 k = 0.5000 0.3693 0.2727 ( 3488 PWs) bands (ev): -1.5893 -1.5893 -1.5891 -1.5891 -0.6093 -0.6093 -0.6076 -0.6076 3.3768 3.3768 3.3777 3.3777 3.7843 3.7843 3.7872 3.7872 5.2473 5.2473 5.2502 5.2502 5.6247 5.6247 5.6313 5.6313 5.8904 5.8904 5.9017 5.9017 6.1065 6.1065 6.1127 6.1127 6.3798 6.3798 6.3809 6.3809 9.0042 9.0042 9.0147 9.0147 10.6882 10.6882 10.7285 10.7285 11.6946 11.6946 11.7529 11.7529 12.3749 12.3749 k = 0.5000 0.3693 0.2836 ( 3480 PWs) bands (ev): -1.5858 -1.5858 -1.5856 -1.5856 -0.6105 -0.6105 -0.6093 -0.6093 3.3653 3.3653 3.3659 3.3659 3.7782 3.7782 3.7801 3.7801 5.2482 5.2482 5.2501 5.2501 5.6232 5.6232 5.6276 5.6276 5.8926 5.8926 5.9002 5.9002 6.1075 6.1075 6.1117 6.1117 6.3807 6.3807 6.3814 6.3814 9.0584 9.0584 9.0657 9.0657 10.7801 10.7801 10.8143 10.8143 11.6102 11.6102 11.6564 11.6564 12.3477 12.3477 k = 0.5000 0.3693 0.2945 ( 3480 PWs) bands (ev): -1.5836 -1.5836 -1.5835 -1.5835 -0.6111 -0.6111 -0.6105 -0.6105 3.3585 3.3585 3.3588 3.3588 3.7747 3.7747 3.7757 3.7757 5.2488 5.2488 5.2498 5.2498 5.6227 5.6227 5.6249 5.6249 5.8946 5.8946 5.8984 5.8984 6.1085 6.1085 6.1106 6.1106 6.3813 6.3813 6.3817 6.3817 9.0928 9.0928 9.0964 9.0964 10.8508 10.8508 10.8716 10.8716 11.5546 11.5546 11.5814 11.5814 12.3322 12.3322 k = 0.5000 0.3693 0.3054 ( 3480 PWs) bands (ev): -1.5829 -1.5829 -1.5828 -1.5828 -0.6111 -0.6111 -0.6111 -0.6111 3.3563 3.3563 3.3563 3.3563 3.7738 3.7738 3.7739 3.7739 5.2492 5.2492 5.2495 5.2495 5.6231 5.6231 5.6234 5.6234 5.8964 5.8964 5.8968 5.8968 6.1094 6.1094 6.1098 6.1098 6.3815 6.3815 6.3818 6.3818 9.1056 9.1056 9.1056 9.1056 10.8852 10.8852 10.8853 10.8853 11.5434 11.5434 11.5435 11.5435 12.3292 12.3292 Writing output data file CuAs2.save init_run : 0.22s CPU 0.39s WALL ( 1 calls) electrons : 133.94s CPU 136.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 133.93s CPU 136.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 436 calls) cegterg : 120.48s CPU 122.43s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 68.20s CPU 69.63s WALL ( 8087 calls) s_psi : 3.84s CPU 3.94s WALL ( 8087 calls) g_psi : 0.22s CPU 0.21s WALL ( 7206 calls) cdiaghg : 45.88s CPU 46.29s WALL ( 7642 calls) cegterg:over : 5.14s CPU 5.25s WALL ( 7206 calls) cegterg:upda : 3.51s CPU 3.78s WALL ( 7206 calls) cegterg:last : 2.54s CPU 2.58s WALL ( 1317 calls) cdiaghg:chol : 2.54s CPU 2.51s WALL ( 7642 calls) cdiaghg:inve : 1.50s CPU 1.65s WALL ( 7642 calls) cdiaghg:para : 2.66s CPU 2.71s WALL ( 15284 calls) Called by h_psi: h_psi:vloc : 58.58s CPU 59.83s WALL ( 8087 calls) h_psi:vnl : 9.44s CPU 9.61s WALL ( 8087 calls) add_vuspsi : 4.82s CPU 4.66s WALL ( 8087 calls) General routines calbec : 4.61s CPU 4.92s WALL ( 8087 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 55.28s CPU 56.51s WALL ( 858172 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.25s WALL ( 872 calls) Parallel routines fft_scatter : 22.62s CPU 23.08s WALL ( 858195 calls) PWSCF : 2m31.50s CPU 2m53.86s WALL This run was terminated on: 19:48:25 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=