Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:44:34 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./NiAs2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 25 7 1259 753 123 Max 36 26 8 1266 770 128 Sum 1127 807 243 40367 24279 4023 bravais-lattice index = 14 lattice parameter (alat) = 6.6972 a.u. unit-cell volume = 659.4454 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.697189 celldm(2)= 1.342607 celldm(3)= 1.635130 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 1.342607 0.000000 ) a(3) = ( 0.000000 0.000000 1.635130 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.744819 -0.000000 ) b(3) = ( 0.000000 0.000000 0.611572 ) PseudoPot. # 1 for As read from file: /home/autes/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 Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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) Ni 10.00 58.69340 Ni( 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 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0109532 -0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0219065 -0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0328597 -0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0438129 -0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0547661 -0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0657194 -0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.0766726 -0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.0876258 -0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.0985790 -0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1095323 -0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1204855 -0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1314387 -0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1423920 -0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.1533452 -0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.1642984 -0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.1752516 -0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.1862049 -0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.1971581 -0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2081113 -0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2190646 -0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.2300178 -0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.2409710 -0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.2519242 -0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.2628775 -0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.2738307 -0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.2847839 -0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.2957371 -0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.3066904 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.3176436 -0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.3285968 -0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.3395501 -0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.3505033 -0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.3614565 -0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.3724097 -0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.3724097 -0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.3724097 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.3724097 -0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.3724097 -0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.3724097 -0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.3724097 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.3724097 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.3724097 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.3724097 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.3724097 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.3724097 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.3724097 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.3724097 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.3724097 -0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.3724097 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.3724097 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.3724097 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.3724097 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.3724097 -0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.3724097 -0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.3724097 -0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.3724097 -0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.3724097 -0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.3724097 -0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.3724097 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.3724097 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.3724097 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.3724097 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.3724097 -0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.3724097 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.3724097 -0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.3724097 -0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.3724097 -0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.3724097 -0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.3724097 -0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.3724097 -0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.3724097 -0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.3724097 -0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.3724097 -0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.3724097 -0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.3724097 -0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.3724097 -0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.3724097 -0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.3724097 -0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.3724097 -0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.3724097 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.3724097 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.3614565 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.3505033 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.3395501 -0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.3285968 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.3176436 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.3066904 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.2957371 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.2847839 -0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.2738307 -0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.2628775 -0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.2519242 -0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.2409710 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.2300178 -0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2190646 -0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2081113 -0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.1971581 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.1862049 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.1752516 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.1642984 -0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.1533452 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1423920 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1314387 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1204855 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1095323 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.0985790 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.0876258 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.0766726 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0657194 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0547661 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0438129 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0328597 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0219065 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0109532 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0109209), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0218419), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0327628), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0436837), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0546047), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0655256), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0764465), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0873675), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0982884), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1092093), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1201303), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.1310512), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.1419721), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1528931), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1638140), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.1747349), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.1856559), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1965768), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.2074977), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.2184187), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2293396), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2402605), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2511815), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.2621024), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.2730233), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.2839443), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.2948652), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3057861), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3057861), wk = 0.0022727 k( 193) = ( 0.0111111 -0.0000000 0.3057861), wk = 0.0022727 k( 194) = ( 0.0222222 -0.0000000 0.3057861), wk = 0.0022727 k( 195) = ( 0.0333333 -0.0000000 0.3057861), wk = 0.0022727 k( 196) = ( 0.0444444 -0.0000000 0.3057861), wk = 0.0022727 k( 197) = ( 0.0555556 -0.0000000 0.3057861), wk = 0.0022727 k( 198) = ( 0.0666667 -0.0000000 0.3057861), wk = 0.0022727 k( 199) = ( 0.0777778 -0.0000000 0.3057861), wk = 0.0022727 k( 200) = ( 0.0888889 -0.0000000 0.3057861), wk = 0.0022727 k( 201) = ( 0.1000000 -0.0000000 0.3057861), wk = 0.0022727 k( 202) = ( 0.1111111 -0.0000000 0.3057861), wk = 0.0022727 k( 203) = ( 0.1222222 -0.0000000 0.3057861), wk = 0.0022727 k( 204) = ( 0.1333333 -0.0000000 0.3057861), wk = 0.0022727 k( 205) = ( 0.1444444 -0.0000000 0.3057861), wk = 0.0022727 k( 206) = ( 0.1555556 -0.0000000 0.3057861), wk = 0.0022727 k( 207) = ( 0.1666667 -0.0000000 0.3057861), wk = 0.0022727 k( 208) = ( 0.1777778 -0.0000000 0.3057861), wk = 0.0022727 k( 209) = ( 0.1888889 -0.0000000 0.3057861), wk = 0.0022727 k( 210) = ( 0.2000000 -0.0000000 0.3057861), wk = 0.0022727 k( 211) = ( 0.2111111 -0.0000000 0.3057861), wk = 0.0022727 k( 212) = ( 0.2222222 -0.0000000 0.3057861), wk = 0.0022727 k( 213) = ( 0.2333333 -0.0000000 0.3057861), wk = 0.0022727 k( 214) = ( 0.2444444 -0.0000000 0.3057861), wk = 0.0022727 k( 215) = ( 0.2555556 -0.0000000 0.3057861), wk = 0.0022727 k( 216) = ( 0.2666667 -0.0000000 0.3057861), wk = 0.0022727 k( 217) = ( 0.2777778 -0.0000000 0.3057861), wk = 0.0022727 k( 218) = ( 0.2888889 -0.0000000 0.3057861), wk = 0.0022727 k( 219) = ( 0.3000000 -0.0000000 0.3057861), wk = 0.0022727 k( 220) = ( 0.3111111 -0.0000000 0.3057861), wk = 0.0022727 k( 221) = ( 0.3222222 -0.0000000 0.3057861), wk = 0.0022727 k( 222) = ( 0.3333333 -0.0000000 0.3057861), wk = 0.0022727 k( 223) = ( 0.3444444 -0.0000000 0.3057861), wk = 0.0022727 k( 224) = ( 0.3555556 -0.0000000 0.3057861), wk = 0.0022727 k( 225) = ( 0.3666667 -0.0000000 0.3057861), wk = 0.0022727 k( 226) = ( 0.3777778 -0.0000000 0.3057861), wk = 0.0022727 k( 227) = ( 0.3888889 -0.0000000 0.3057861), wk = 0.0022727 k( 228) = ( 0.4000000 -0.0000000 0.3057861), wk = 0.0022727 k( 229) = ( 0.4111111 -0.0000000 0.3057861), wk = 0.0022727 k( 230) = ( 0.4222222 -0.0000000 0.3057861), wk = 0.0022727 k( 231) = ( 0.4333333 -0.0000000 0.3057861), wk = 0.0022727 k( 232) = ( 0.4444444 -0.0000000 0.3057861), wk = 0.0022727 k( 233) = ( 0.4555556 -0.0000000 0.3057861), wk = 0.0022727 k( 234) = ( 0.4666667 -0.0000000 0.3057861), wk = 0.0022727 k( 235) = ( 0.4777778 -0.0000000 0.3057861), wk = 0.0022727 k( 236) = ( 0.4888889 -0.0000000 0.3057861), wk = 0.0022727 k( 237) = ( 0.5000000 -0.0000000 0.3057861), wk = 0.0022727 k( 238) = ( 0.5000000 -0.0000000 0.3057861), wk = 0.0022727 k( 239) = ( 0.5000000 0.0109532 0.3057861), wk = 0.0022727 k( 240) = ( 0.5000000 0.0219065 0.3057861), wk = 0.0022727 k( 241) = ( 0.5000000 0.0328597 0.3057861), wk = 0.0022727 k( 242) = ( 0.5000000 0.0438129 0.3057861), wk = 0.0022727 k( 243) = ( 0.5000000 0.0547661 0.3057861), wk = 0.0022727 k( 244) = ( 0.5000000 0.0657194 0.3057861), wk = 0.0022727 k( 245) = ( 0.5000000 0.0766726 0.3057861), wk = 0.0022727 k( 246) = ( 0.5000000 0.0876258 0.3057861), wk = 0.0022727 k( 247) = ( 0.5000000 0.0985790 0.3057861), wk = 0.0022727 k( 248) = ( 0.5000000 0.1095323 0.3057861), wk = 0.0022727 k( 249) = ( 0.5000000 0.1204855 0.3057861), wk = 0.0022727 k( 250) = ( 0.5000000 0.1314387 0.3057861), wk = 0.0022727 k( 251) = ( 0.5000000 0.1423920 0.3057861), wk = 0.0022727 k( 252) = ( 0.5000000 0.1533452 0.3057861), wk = 0.0022727 k( 253) = ( 0.5000000 0.1642984 0.3057861), wk = 0.0022727 k( 254) = ( 0.5000000 0.1752516 0.3057861), wk = 0.0022727 k( 255) = ( 0.5000000 0.1862049 0.3057861), wk = 0.0022727 k( 256) = ( 0.5000000 0.1971581 0.3057861), wk = 0.0022727 k( 257) = ( 0.5000000 0.2081113 0.3057861), wk = 0.0022727 k( 258) = ( 0.5000000 0.2190646 0.3057861), wk = 0.0022727 k( 259) = ( 0.5000000 0.2300178 0.3057861), wk = 0.0022727 k( 260) = ( 0.5000000 0.2409710 0.3057861), wk = 0.0022727 k( 261) = ( 0.5000000 0.2519242 0.3057861), wk = 0.0022727 k( 262) = ( 0.5000000 0.2628775 0.3057861), wk = 0.0022727 k( 263) = ( 0.5000000 0.2738307 0.3057861), wk = 0.0022727 k( 264) = ( 0.5000000 0.2847839 0.3057861), wk = 0.0022727 k( 265) = ( 0.5000000 0.2957371 0.3057861), wk = 0.0022727 k( 266) = ( 0.5000000 0.3066904 0.3057861), wk = 0.0022727 k( 267) = ( 0.5000000 0.3176436 0.3057861), wk = 0.0022727 k( 268) = ( 0.5000000 0.3285968 0.3057861), wk = 0.0022727 k( 269) = ( 0.5000000 0.3395501 0.3057861), wk = 0.0022727 k( 270) = ( 0.5000000 0.3505033 0.3057861), wk = 0.0022727 k( 271) = ( 0.5000000 0.3614565 0.3057861), wk = 0.0022727 k( 272) = ( 0.5000000 0.3724097 0.3057861), wk = 0.0022727 k( 273) = ( 0.5000000 0.3724097 0.3057861), wk = 0.0022727 k( 274) = ( 0.4888889 0.3724097 0.3057861), wk = 0.0022727 k( 275) = ( 0.4777778 0.3724097 0.3057861), wk = 0.0022727 k( 276) = ( 0.4666667 0.3724097 0.3057861), wk = 0.0022727 k( 277) = ( 0.4555556 0.3724097 0.3057861), wk = 0.0022727 k( 278) = ( 0.4444444 0.3724097 0.3057861), wk = 0.0022727 k( 279) = ( 0.4333333 0.3724097 0.3057861), wk = 0.0022727 k( 280) = ( 0.4222222 0.3724097 0.3057861), wk = 0.0022727 k( 281) = ( 0.4111111 0.3724097 0.3057861), wk = 0.0022727 k( 282) = ( 0.4000000 0.3724097 0.3057861), wk = 0.0022727 k( 283) = ( 0.3888889 0.3724097 0.3057861), wk = 0.0022727 k( 284) = ( 0.3777778 0.3724097 0.3057861), wk = 0.0022727 k( 285) = ( 0.3666667 0.3724097 0.3057861), wk = 0.0022727 k( 286) = ( 0.3555556 0.3724097 0.3057861), wk = 0.0022727 k( 287) = ( 0.3444444 0.3724097 0.3057861), wk = 0.0022727 k( 288) = ( 0.3333333 0.3724097 0.3057861), wk = 0.0022727 k( 289) = ( 0.3222222 0.3724097 0.3057861), wk = 0.0022727 k( 290) = ( 0.3111111 0.3724097 0.3057861), wk = 0.0022727 k( 291) = ( 0.3000000 0.3724097 0.3057861), wk = 0.0022727 k( 292) = ( 0.2888889 0.3724097 0.3057861), wk = 0.0022727 k( 293) = ( 0.2777778 0.3724097 0.3057861), wk = 0.0022727 k( 294) = ( 0.2666667 0.3724097 0.3057861), wk = 0.0022727 k( 295) = ( 0.2555556 0.3724097 0.3057861), wk = 0.0022727 k( 296) = ( 0.2444444 0.3724097 0.3057861), wk = 0.0022727 k( 297) = ( 0.2333333 0.3724097 0.3057861), wk = 0.0022727 k( 298) = ( 0.2222222 0.3724097 0.3057861), wk = 0.0022727 k( 299) = ( 0.2111111 0.3724097 0.3057861), wk = 0.0022727 k( 300) = ( 0.2000000 0.3724097 0.3057861), wk = 0.0022727 k( 301) = ( 0.1888889 0.3724097 0.3057861), wk = 0.0022727 k( 302) = ( 0.1777778 0.3724097 0.3057861), wk = 0.0022727 k( 303) = ( 0.1666667 0.3724097 0.3057861), wk = 0.0022727 k( 304) = ( 0.1555556 0.3724097 0.3057861), wk = 0.0022727 k( 305) = ( 0.1444444 0.3724097 0.3057861), wk = 0.0022727 k( 306) = ( 0.1333333 0.3724097 0.3057861), wk = 0.0022727 k( 307) = ( 0.1222222 0.3724097 0.3057861), wk = 0.0022727 k( 308) = ( 0.1111111 0.3724097 0.3057861), wk = 0.0022727 k( 309) = ( 0.1000000 0.3724097 0.3057861), wk = 0.0022727 k( 310) = ( 0.0888889 0.3724097 0.3057861), wk = 0.0022727 k( 311) = ( 0.0777778 0.3724097 0.3057861), wk = 0.0022727 k( 312) = ( 0.0666667 0.3724097 0.3057861), wk = 0.0022727 k( 313) = ( 0.0555556 0.3724097 0.3057861), wk = 0.0022727 k( 314) = ( 0.0444444 0.3724097 0.3057861), wk = 0.0022727 k( 315) = ( 0.0333333 0.3724097 0.3057861), wk = 0.0022727 k( 316) = ( 0.0222222 0.3724097 0.3057861), wk = 0.0022727 k( 317) = ( 0.0111111 0.3724097 0.3057861), wk = 0.0022727 k( 318) = ( 0.0000000 0.3724097 0.3057861), wk = 0.0022727 k( 319) = ( 0.0000000 0.3724097 0.3057861), wk = 0.0022727 k( 320) = ( 0.0000000 0.3614565 0.3057861), wk = 0.0022727 k( 321) = ( 0.0000000 0.3505033 0.3057861), wk = 0.0022727 k( 322) = ( 0.0000000 0.3395501 0.3057861), wk = 0.0022727 k( 323) = ( 0.0000000 0.3285968 0.3057861), wk = 0.0022727 k( 324) = ( 0.0000000 0.3176436 0.3057861), wk = 0.0022727 k( 325) = ( 0.0000000 0.3066904 0.3057861), wk = 0.0022727 k( 326) = ( 0.0000000 0.2957371 0.3057861), wk = 0.0022727 k( 327) = ( 0.0000000 0.2847839 0.3057861), wk = 0.0022727 k( 328) = ( 0.0000000 0.2738307 0.3057861), wk = 0.0022727 k( 329) = ( 0.0000000 0.2628775 0.3057861), wk = 0.0022727 k( 330) = ( 0.0000000 0.2519242 0.3057861), wk = 0.0022727 k( 331) = ( 0.0000000 0.2409710 0.3057861), wk = 0.0022727 k( 332) = ( 0.0000000 0.2300178 0.3057861), wk = 0.0022727 k( 333) = ( 0.0000000 0.2190646 0.3057861), wk = 0.0022727 k( 334) = ( 0.0000000 0.2081113 0.3057861), wk = 0.0022727 k( 335) = ( 0.0000000 0.1971581 0.3057861), wk = 0.0022727 k( 336) = ( 0.0000000 0.1862049 0.3057861), wk = 0.0022727 k( 337) = ( 0.0000000 0.1752516 0.3057861), wk = 0.0022727 k( 338) = ( 0.0000000 0.1642984 0.3057861), wk = 0.0022727 k( 339) = ( 0.0000000 0.1533452 0.3057861), wk = 0.0022727 k( 340) = ( 0.0000000 0.1423920 0.3057861), wk = 0.0022727 k( 341) = ( 0.0000000 0.1314387 0.3057861), wk = 0.0022727 k( 342) = ( 0.0000000 0.1204855 0.3057861), wk = 0.0022727 k( 343) = ( 0.0000000 0.1095323 0.3057861), wk = 0.0022727 k( 344) = ( 0.0000000 0.0985790 0.3057861), wk = 0.0022727 k( 345) = ( 0.0000000 0.0876258 0.3057861), wk = 0.0022727 k( 346) = ( 0.0000000 0.0766726 0.3057861), wk = 0.0022727 k( 347) = ( 0.0000000 0.0657194 0.3057861), wk = 0.0022727 k( 348) = ( 0.0000000 0.0547661 0.3057861), wk = 0.0022727 k( 349) = ( 0.0000000 0.0438129 0.3057861), wk = 0.0022727 k( 350) = ( 0.0000000 0.0328597 0.3057861), wk = 0.0022727 k( 351) = ( 0.0000000 0.0219065 0.3057861), wk = 0.0022727 k( 352) = ( 0.0000000 0.0109532 0.3057861), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.3057861), wk = 0.0022727 k( 354) = ( 0.0000000 0.3724097 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.3724097 0.0109209), wk = 0.0022727 k( 356) = ( 0.0000000 0.3724097 0.0218419), wk = 0.0022727 k( 357) = ( 0.0000000 0.3724097 0.0327628), wk = 0.0022727 k( 358) = ( 0.0000000 0.3724097 0.0436837), wk = 0.0022727 k( 359) = ( 0.0000000 0.3724097 0.0546047), wk = 0.0022727 k( 360) = ( 0.0000000 0.3724097 0.0655256), wk = 0.0022727 k( 361) = ( 0.0000000 0.3724097 0.0764465), wk = 0.0022727 k( 362) = ( 0.0000000 0.3724097 0.0873675), wk = 0.0022727 k( 363) = ( 0.0000000 0.3724097 0.0982884), wk = 0.0022727 k( 364) = ( 0.0000000 0.3724097 0.1092093), wk = 0.0022727 k( 365) = ( 0.0000000 0.3724097 0.1201303), wk = 0.0022727 k( 366) = ( 0.0000000 0.3724097 0.1310512), wk = 0.0022727 k( 367) = ( 0.0000000 0.3724097 0.1419721), wk = 0.0022727 k( 368) = ( 0.0000000 0.3724097 0.1528931), wk = 0.0022727 k( 369) = ( 0.0000000 0.3724097 0.1638140), wk = 0.0022727 k( 370) = ( 0.0000000 0.3724097 0.1747349), wk = 0.0022727 k( 371) = ( 0.0000000 0.3724097 0.1856559), wk = 0.0022727 k( 372) = ( 0.0000000 0.3724097 0.1965768), wk = 0.0022727 k( 373) = ( 0.0000000 0.3724097 0.2074977), wk = 0.0022727 k( 374) = ( 0.0000000 0.3724097 0.2184187), wk = 0.0022727 k( 375) = ( 0.0000000 0.3724097 0.2293396), wk = 0.0022727 k( 376) = ( 0.0000000 0.3724097 0.2402605), wk = 0.0022727 k( 377) = ( 0.0000000 0.3724097 0.2511815), wk = 0.0022727 k( 378) = ( 0.0000000 0.3724097 0.2621024), wk = 0.0022727 k( 379) = ( 0.0000000 0.3724097 0.2730233), wk = 0.0022727 k( 380) = ( 0.0000000 0.3724097 0.2839443), wk = 0.0022727 k( 381) = ( 0.0000000 0.3724097 0.2948652), wk = 0.0022727 k( 382) = ( 0.0000000 0.3724097 0.3057861), wk = 0.0022727 k( 383) = ( 0.5000000 -0.0000000 0.3057861), wk = 0.0022727 k( 384) = ( 0.5000000 -0.0000000 0.2948652), wk = 0.0022727 k( 385) = ( 0.5000000 -0.0000000 0.2839443), wk = 0.0022727 k( 386) = ( 0.5000000 -0.0000000 0.2730233), wk = 0.0022727 k( 387) = ( 0.5000000 -0.0000000 0.2621024), wk = 0.0022727 k( 388) = ( 0.5000000 -0.0000000 0.2511815), wk = 0.0022727 k( 389) = ( 0.5000000 -0.0000000 0.2402605), wk = 0.0022727 k( 390) = ( 0.5000000 -0.0000000 0.2293396), wk = 0.0022727 k( 391) = ( 0.5000000 -0.0000000 0.2184187), wk = 0.0022727 k( 392) = ( 0.5000000 -0.0000000 0.2074977), wk = 0.0022727 k( 393) = ( 0.5000000 -0.0000000 0.1965768), wk = 0.0022727 k( 394) = ( 0.5000000 -0.0000000 0.1856559), wk = 0.0022727 k( 395) = ( 0.5000000 -0.0000000 0.1747349), wk = 0.0022727 k( 396) = ( 0.5000000 -0.0000000 0.1638140), wk = 0.0022727 k( 397) = ( 0.5000000 -0.0000000 0.1528931), wk = 0.0022727 k( 398) = ( 0.5000000 -0.0000000 0.1419721), wk = 0.0022727 k( 399) = ( 0.5000000 -0.0000000 0.1310512), wk = 0.0022727 k( 400) = ( 0.5000000 -0.0000000 0.1201303), wk = 0.0022727 k( 401) = ( 0.5000000 -0.0000000 0.1092093), wk = 0.0022727 k( 402) = ( 0.5000000 -0.0000000 0.0982884), wk = 0.0022727 k( 403) = ( 0.5000000 -0.0000000 0.0873675), wk = 0.0022727 k( 404) = ( 0.5000000 -0.0000000 0.0764465), wk = 0.0022727 k( 405) = ( 0.5000000 -0.0000000 0.0655256), wk = 0.0022727 k( 406) = ( 0.5000000 -0.0000000 0.0546047), wk = 0.0022727 k( 407) = ( 0.5000000 -0.0000000 0.0436837), wk = 0.0022727 k( 408) = ( 0.5000000 -0.0000000 0.0327628), wk = 0.0022727 k( 409) = ( 0.5000000 -0.0000000 0.0218419), wk = 0.0022727 k( 410) = ( 0.5000000 -0.0000000 0.0109209), wk = 0.0022727 k( 411) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.3724097 -0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.3724097 0.0109209), wk = 0.0022727 k( 414) = ( 0.5000000 0.3724097 0.0218419), wk = 0.0022727 k( 415) = ( 0.5000000 0.3724097 0.0327628), wk = 0.0022727 k( 416) = ( 0.5000000 0.3724097 0.0436837), wk = 0.0022727 k( 417) = ( 0.5000000 0.3724097 0.0546047), wk = 0.0022727 k( 418) = ( 0.5000000 0.3724097 0.0655256), wk = 0.0022727 k( 419) = ( 0.5000000 0.3724097 0.0764465), wk = 0.0022727 k( 420) = ( 0.5000000 0.3724097 0.0873675), wk = 0.0022727 k( 421) = ( 0.5000000 0.3724097 0.0982884), wk = 0.0022727 k( 422) = ( 0.5000000 0.3724097 0.1092093), wk = 0.0022727 k( 423) = ( 0.5000000 0.3724097 0.1201303), wk = 0.0022727 k( 424) = ( 0.5000000 0.3724097 0.1310512), wk = 0.0022727 k( 425) = ( 0.5000000 0.3724097 0.1419721), wk = 0.0022727 k( 426) = ( 0.5000000 0.3724097 0.1528931), wk = 0.0022727 k( 427) = ( 0.5000000 0.3724097 0.1638140), wk = 0.0022727 k( 428) = ( 0.5000000 0.3724097 0.1747349), wk = 0.0022727 k( 429) = ( 0.5000000 0.3724097 0.1856559), wk = 0.0022727 k( 430) = ( 0.5000000 0.3724097 0.1965768), wk = 0.0022727 k( 431) = ( 0.5000000 0.3724097 0.2074977), wk = 0.0022727 k( 432) = ( 0.5000000 0.3724097 0.2184187), wk = 0.0022727 k( 433) = ( 0.5000000 0.3724097 0.2293396), wk = 0.0022727 k( 434) = ( 0.5000000 0.3724097 0.2402605), wk = 0.0022727 k( 435) = ( 0.5000000 0.3724097 0.2511815), wk = 0.0022727 k( 436) = ( 0.5000000 0.3724097 0.2621024), wk = 0.0022727 k( 437) = ( 0.5000000 0.3724097 0.2730233), wk = 0.0022727 k( 438) = ( 0.5000000 0.3724097 0.2839443), wk = 0.0022727 k( 439) = ( 0.5000000 0.3724097 0.2948652), wk = 0.0022727 k( 440) = ( 0.5000000 0.3724097 0.3057861), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0147059 0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0294118 0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0441177 0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0588235 0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0735294 0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0882353 0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.1029412 0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.1176471 0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.1323529 0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1470588 0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1617647 0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1764706 0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1911765 0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.2058823 -0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.2205882 0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.2352941 0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.2647059 0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2794118 0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2941177 0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.3088235 0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.3235294 0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.3382353 0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.3529412 -0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.3676471 0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.3823529 0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.3970588 0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.4117647 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.4264706 0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.4411765 0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.4558823 0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.4705882 0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.4852941 0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0441176 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 193) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0022727 k( 194) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0022727 k( 195) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0022727 k( 196) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0022727 k( 197) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0022727 k( 198) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0022727 k( 199) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0022727 k( 200) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0022727 k( 201) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022727 k( 202) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0022727 k( 203) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0022727 k( 204) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0022727 k( 205) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0022727 k( 206) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0022727 k( 207) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022727 k( 208) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0022727 k( 209) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0022727 k( 210) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022727 k( 211) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0022727 k( 212) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0022727 k( 213) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0022727 k( 214) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0022727 k( 215) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0022727 k( 216) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0022727 k( 217) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0022727 k( 218) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0022727 k( 219) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0022727 k( 220) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0022727 k( 221) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0022727 k( 222) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022727 k( 223) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0022727 k( 224) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0022727 k( 225) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0022727 k( 226) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0022727 k( 227) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0022727 k( 228) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022727 k( 229) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0022727 k( 230) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0022727 k( 231) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0022727 k( 232) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0022727 k( 233) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0022727 k( 234) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0022727 k( 235) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0022727 k( 236) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0022727 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 239) = ( 0.5000000 0.0147059 0.5000000), wk = 0.0022727 k( 240) = ( 0.5000000 0.0294118 0.5000000), wk = 0.0022727 k( 241) = ( 0.5000000 0.0441177 0.5000000), wk = 0.0022727 k( 242) = ( 0.5000000 0.0588235 0.5000000), wk = 0.0022727 k( 243) = ( 0.5000000 0.0735294 0.5000000), wk = 0.0022727 k( 244) = ( 0.5000000 0.0882353 0.5000000), wk = 0.0022727 k( 245) = ( 0.5000000 0.1029412 0.5000000), wk = 0.0022727 k( 246) = ( 0.5000000 0.1176471 0.5000000), wk = 0.0022727 k( 247) = ( 0.5000000 0.1323529 0.5000000), wk = 0.0022727 k( 248) = ( 0.5000000 0.1470588 0.5000000), wk = 0.0022727 k( 249) = ( 0.5000000 0.1617647 0.5000000), wk = 0.0022727 k( 250) = ( 0.5000000 0.1764706 0.5000000), wk = 0.0022727 k( 251) = ( 0.5000000 0.1911765 0.5000000), wk = 0.0022727 k( 252) = ( 0.5000000 0.2058823 0.5000000), wk = 0.0022727 k( 253) = ( 0.5000000 0.2205882 0.5000000), wk = 0.0022727 k( 254) = ( 0.5000000 0.2352941 0.5000000), wk = 0.0022727 k( 255) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022727 k( 256) = ( 0.5000000 0.2647059 0.5000000), wk = 0.0022727 k( 257) = ( 0.5000000 0.2794118 0.5000000), wk = 0.0022727 k( 258) = ( 0.5000000 0.2941177 0.5000000), wk = 0.0022727 k( 259) = ( 0.5000000 0.3088235 0.5000000), wk = 0.0022727 k( 260) = ( 0.5000000 0.3235294 0.5000000), wk = 0.0022727 k( 261) = ( 0.5000000 0.3382353 0.5000000), wk = 0.0022727 k( 262) = ( 0.5000000 0.3529412 0.5000000), wk = 0.0022727 k( 263) = ( 0.5000000 0.3676471 0.5000000), wk = 0.0022727 k( 264) = ( 0.5000000 0.3823529 0.5000000), wk = 0.0022727 k( 265) = ( 0.5000000 0.3970588 0.5000000), wk = 0.0022727 k( 266) = ( 0.5000000 0.4117647 0.5000000), wk = 0.0022727 k( 267) = ( 0.5000000 0.4264706 0.5000000), wk = 0.0022727 k( 268) = ( 0.5000000 0.4411765 0.5000000), wk = 0.0022727 k( 269) = ( 0.5000000 0.4558823 0.5000000), wk = 0.0022727 k( 270) = ( 0.5000000 0.4705882 0.5000000), wk = 0.0022727 k( 271) = ( 0.5000000 0.4852941 0.5000000), wk = 0.0022727 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 274) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0022727 k( 275) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0022727 k( 276) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0022727 k( 277) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0022727 k( 278) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0022727 k( 279) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0022727 k( 280) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0022727 k( 281) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0022727 k( 282) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0022727 k( 283) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0022727 k( 284) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0022727 k( 285) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0022727 k( 286) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0022727 k( 287) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0022727 k( 288) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022727 k( 289) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0022727 k( 290) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0022727 k( 291) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0022727 k( 292) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0022727 k( 293) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0022727 k( 294) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0022727 k( 295) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0022727 k( 296) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0022727 k( 297) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0022727 k( 298) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0022727 k( 299) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0022727 k( 300) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0022727 k( 301) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0022727 k( 302) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0022727 k( 303) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022727 k( 304) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0022727 k( 305) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0022727 k( 306) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0022727 k( 307) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0022727 k( 308) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0022727 k( 309) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0022727 k( 310) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0022727 k( 311) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0022727 k( 312) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0022727 k( 313) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0022727 k( 314) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0022727 k( 315) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0022727 k( 316) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0022727 k( 317) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0022727 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 319) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 320) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0022727 k( 321) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0022727 k( 322) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0022727 k( 323) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0022727 k( 324) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0022727 k( 325) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0022727 k( 326) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0022727 k( 327) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0022727 k( 328) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0022727 k( 329) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0022727 k( 330) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0022727 k( 331) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0022727 k( 332) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0022727 k( 333) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0022727 k( 334) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0022727 k( 335) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0022727 k( 336) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022727 k( 337) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0022727 k( 338) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0022727 k( 339) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0022727 k( 340) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0022727 k( 341) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0022727 k( 342) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0022727 k( 343) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0022727 k( 344) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0022727 k( 345) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0022727 k( 346) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0022727 k( 347) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0022727 k( 348) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0022727 k( 349) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0022727 k( 350) = ( 0.0000000 0.0441176 0.5000000), wk = 0.0022727 k( 351) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0022727 k( 352) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 354) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0022727 k( 356) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022727 k( 357) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0022727 k( 358) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022727 k( 359) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0022727 k( 360) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022727 k( 361) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022727 k( 362) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022727 k( 363) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0022727 k( 364) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022727 k( 365) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0022727 k( 366) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022727 k( 367) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0022727 k( 368) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022727 k( 369) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0022727 k( 370) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022727 k( 371) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0022727 k( 372) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022727 k( 373) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0022727 k( 374) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022727 k( 375) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022727 k( 376) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022727 k( 377) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0022727 k( 378) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022727 k( 379) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0022727 k( 380) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022727 k( 381) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0022727 k( 382) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 384) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0022727 k( 385) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0022727 k( 386) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0022727 k( 387) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022727 k( 388) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0022727 k( 389) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0022727 k( 390) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0022727 k( 391) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022727 k( 392) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0022727 k( 393) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0022727 k( 394) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0022727 k( 395) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022727 k( 396) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0022727 k( 397) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022727 k( 398) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0022727 k( 399) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022727 k( 400) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0022727 k( 401) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0022727 k( 402) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0022727 k( 403) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022727 k( 404) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0022727 k( 405) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0022727 k( 406) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0022727 k( 407) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022727 k( 408) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0022727 k( 409) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0022727 k( 410) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0022727 k( 411) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0022727 k( 424) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022727 k( 425) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0022727 k( 426) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022727 k( 427) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0022727 k( 428) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022727 k( 429) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0022727 k( 430) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0022727 k( 431) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0022727 k( 432) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022727 k( 433) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022727 k( 434) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0022727 k( 435) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0022727 k( 436) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022727 k( 437) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0022727 k( 438) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0022727 k( 439) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0022727 k( 440) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 Dense grid: 40367 G-vectors FFT dimensions: ( 36, 45, 54) Smooth grid: 24279 G-vectors FFT dimensions: ( 27, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 192, 48) NL pseudopotentials 0.18 Mb ( 96, 124) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1261) G-vector shells 0.00 Mb ( 648) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 192, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./NiAs2.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.6 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.6 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.4 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.7 secs Computing kpt #: 23 total cpu time spent up to now is 18.4 secs Computing kpt #: 24 total cpu time spent up to now is 19.0 secs Computing kpt #: 25 total cpu time spent up to now is 19.7 secs Computing kpt #: 26 total cpu time spent up to now is 20.3 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.6 secs Computing kpt #: 29 total cpu time spent up to now is 22.3 secs Computing kpt #: 30 total cpu time spent up to now is 22.9 secs Computing kpt #: 31 total cpu time spent up to now is 23.6 secs Computing kpt #: 32 total cpu time spent up to now is 24.2 secs Computing kpt #: 33 total cpu time spent up to now is 24.9 secs Computing kpt #: 34 total cpu time spent up to now is 25.5 secs Computing kpt #: 35 total cpu time spent up to now is 26.2 secs Computing kpt #: 36 total cpu time spent up to now is 26.8 secs Computing kpt #: 37 total cpu time spent up to now is 27.5 secs Computing kpt #: 38 total cpu time spent up to now is 28.1 secs Computing kpt #: 39 total cpu time spent up to now is 28.8 secs Computing kpt #: 40 total cpu time spent up to now is 29.5 secs Computing kpt #: 41 total cpu time spent up to now is 30.1 secs Computing kpt #: 42 total cpu time spent up to now is 30.8 secs Computing kpt #: 43 total cpu time spent up to now is 31.4 secs Computing kpt #: 44 total cpu time spent up to now is 32.0 secs Computing kpt #: 45 total cpu time spent up to now is 32.7 secs Computing kpt #: 46 total cpu time spent up to now is 33.3 secs Computing kpt #: 47 total cpu time spent up to now is 33.9 secs Computing kpt #: 48 total cpu time spent up to now is 34.5 secs Computing kpt #: 49 total cpu time spent up to now is 35.2 secs Computing kpt #: 50 total cpu time spent up to now is 35.8 secs Computing kpt #: 51 total cpu time spent up to now is 36.4 secs Computing kpt #: 52 total cpu time spent up to now is 37.1 secs Computing kpt #: 53 total cpu time spent up to now is 37.7 secs Computing kpt #: 54 total cpu time spent up to now is 38.4 secs Computing kpt #: 55 total cpu time spent up to now is 39.0 secs Computing kpt #: 56 total cpu time spent up to now is 39.6 secs Computing kpt #: 57 total cpu time spent up to now is 40.3 secs Computing kpt #: 58 total cpu time spent up to now is 40.9 secs Computing kpt #: 59 total cpu time spent up to now is 41.5 secs Computing kpt #: 60 total cpu time spent up to now is 42.2 secs Computing kpt #: 61 total cpu time spent up to now is 42.8 secs Computing kpt #: 62 total cpu time spent up to now is 43.4 secs Computing kpt #: 63 total cpu time spent up to now is 44.0 secs Computing kpt #: 64 total cpu time spent up to now is 44.7 secs Computing kpt #: 65 total cpu time spent up to now is 45.3 secs Computing kpt #: 66 total cpu time spent up to now is 45.9 secs Computing kpt #: 67 total cpu time spent up to now is 46.5 secs Computing kpt #: 68 total cpu time spent up to now is 47.0 secs Computing kpt #: 69 total cpu time spent up to now is 47.6 secs Computing kpt #: 70 total cpu time spent up to now is 48.2 secs Computing kpt #: 71 total cpu time spent up to now is 48.8 secs Computing kpt #: 72 total cpu time spent up to now is 49.4 secs Computing kpt #: 73 total cpu time spent up to now is 50.1 secs Computing kpt #: 74 total cpu time spent up to now is 50.7 secs Computing kpt #: 75 total cpu time spent up to now is 51.3 secs Computing kpt #: 76 total cpu time spent up to now is 51.9 secs Computing kpt #: 77 total cpu time spent up to now is 52.5 secs Computing kpt #: 78 total cpu time spent up to now is 53.2 secs Computing kpt #: 79 total cpu time spent up to now is 53.8 secs Computing kpt #: 80 total cpu time spent up to now is 54.5 secs Computing kpt #: 81 total cpu time spent up to now is 55.2 secs Computing kpt #: 82 total cpu time spent up to now is 55.9 secs Computing kpt #: 83 total cpu time spent up to now is 56.6 secs Computing kpt #: 84 total cpu time spent up to now is 57.3 secs Computing kpt #: 85 total cpu time spent up to now is 58.0 secs Computing kpt #: 86 total cpu time spent up to now is 58.7 secs Computing kpt #: 87 total cpu time spent up to now is 59.4 secs Computing kpt #: 88 total cpu time spent up to now is 60.1 secs Computing kpt #: 89 total cpu time spent up to now is 60.7 secs Computing kpt #: 90 total cpu time spent up to now is 61.4 secs Computing kpt #: 91 total cpu time spent up to now is 62.0 secs Computing kpt #: 92 total cpu time spent up to now is 62.6 secs Computing kpt #: 93 total cpu time spent up to now is 63.3 secs Computing kpt #: 94 total cpu time spent up to now is 63.9 secs Computing kpt #: 95 total cpu time spent up to now is 64.5 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 67.0 secs Computing kpt #: 100 total cpu time spent up to now is 67.6 secs Computing kpt #: 101 total cpu time spent up to now is 68.2 secs Computing kpt #: 102 total cpu time spent up to now is 68.8 secs Computing kpt #: 103 total cpu time spent up to now is 69.4 secs Computing kpt #: 104 total cpu time spent up to now is 70.0 secs Computing kpt #: 105 total cpu time spent up to now is 70.7 secs Computing kpt #: 106 total cpu time spent up to now is 71.3 secs Computing kpt #: 107 total cpu time spent up to now is 71.9 secs Computing kpt #: 108 total cpu time spent up to now is 72.5 secs Computing kpt #: 109 total cpu time spent up to now is 73.1 secs Computing kpt #: 110 total cpu time spent up to now is 73.8 secs Computing kpt #: 111 total cpu time spent up to now is 74.4 secs Computing kpt #: 112 total cpu time spent up to now is 75.0 secs Computing kpt #: 113 total cpu time spent up to now is 75.6 secs Computing kpt #: 114 total cpu time spent up to now is 76.3 secs Computing kpt #: 115 total cpu time spent up to now is 76.9 secs Computing kpt #: 116 total cpu time spent up to now is 77.6 secs Computing kpt #: 117 total cpu time spent up to now is 78.2 secs Computing kpt #: 118 total cpu time spent up to now is 78.9 secs Computing kpt #: 119 total cpu time spent up to now is 79.6 secs Computing kpt #: 120 total cpu time spent up to now is 80.2 secs Computing kpt #: 121 total cpu time spent up to now is 80.8 secs Computing kpt #: 122 total cpu time spent up to now is 81.6 secs Computing kpt #: 123 total cpu time spent up to now is 82.3 secs Computing kpt #: 124 total cpu time spent up to now is 83.0 secs Computing kpt #: 125 total cpu time spent up to now is 83.8 secs Computing kpt #: 126 total cpu time spent up to now is 84.6 secs Computing kpt #: 127 total cpu time spent up to now is 85.4 secs Computing kpt #: 128 total cpu time spent up to now is 86.2 secs Computing kpt #: 129 total cpu time spent up to now is 87.0 secs Computing kpt #: 130 total cpu time spent up to now is 87.8 secs Computing kpt #: 131 total cpu time spent up to now is 88.6 secs Computing kpt #: 132 total cpu time spent up to now is 89.4 secs Computing kpt #: 133 total cpu time spent up to now is 90.2 secs Computing kpt #: 134 total cpu time spent up to now is 91.0 secs Computing kpt #: 135 total cpu time spent up to now is 91.9 secs Computing kpt #: 136 total cpu time spent up to now is 92.8 secs Computing kpt #: 137 total cpu time spent up to now is 93.7 secs Computing kpt #: 138 total cpu time spent up to now is 94.6 secs Computing kpt #: 139 total cpu time spent up to now is 95.6 secs Computing kpt #: 140 total cpu time spent up to now is 96.5 secs Computing kpt #: 141 total cpu time spent up to now is 97.6 secs Computing kpt #: 142 total cpu time spent up to now is 98.8 secs Computing kpt #: 143 total cpu time spent up to now is 100.1 secs Computing kpt #: 144 total cpu time spent up to now is 101.5 secs Computing kpt #: 145 total cpu time spent up to now is 102.8 secs Computing kpt #: 146 total cpu time spent up to now is 103.6 secs Computing kpt #: 147 total cpu time spent up to now is 104.5 secs Computing kpt #: 148 total cpu time spent up to now is 105.3 secs Computing kpt #: 149 total cpu time spent up to now is 106.0 secs Computing kpt #: 150 total cpu time spent up to now is 106.6 secs Computing kpt #: 151 total cpu time spent up to now is 107.3 secs Computing kpt #: 152 total cpu time spent up to now is 108.0 secs Computing kpt #: 153 total cpu time spent up to now is 108.7 secs Computing kpt #: 154 total cpu time spent up to now is 109.4 secs Computing kpt #: 155 total cpu time spent up to now is 110.1 secs Computing kpt #: 156 total cpu time spent up to now is 110.9 secs Computing kpt #: 157 total cpu time spent up to now is 111.6 secs Computing kpt #: 158 total cpu time spent up to now is 112.4 secs Computing kpt #: 159 total cpu time spent up to now is 113.2 secs Computing kpt #: 160 total cpu time spent up to now is 113.9 secs Computing kpt #: 161 total cpu time spent up to now is 114.7 secs Computing kpt #: 162 total cpu time spent up to now is 115.4 secs Computing kpt #: 163 total cpu time spent up to now is 116.2 secs Computing kpt #: 164 total cpu time spent up to now is 116.9 secs Computing kpt #: 165 total cpu time spent up to now is 117.7 secs Computing kpt #: 166 total cpu time spent up to now is 118.4 secs Computing kpt #: 167 total cpu time spent up to now is 119.1 secs Computing kpt #: 168 total cpu time spent up to now is 119.9 secs Computing kpt #: 169 total cpu time spent up to now is 120.6 secs Computing kpt #: 170 total cpu time spent up to now is 121.3 secs Computing kpt #: 171 total cpu time spent up to now is 122.0 secs Computing kpt #: 172 total cpu time spent up to now is 122.8 secs Computing kpt #: 173 total cpu time spent up to now is 123.5 secs Computing kpt #: 174 total cpu time spent up to now is 124.2 secs Computing kpt #: 175 total cpu time spent up to now is 124.9 secs Computing kpt #: 176 total cpu time spent up to now is 125.6 secs Computing kpt #: 177 total cpu time spent up to now is 126.3 secs Computing kpt #: 178 total cpu time spent up to now is 127.0 secs Computing kpt #: 179 total cpu time spent up to now is 127.7 secs Computing kpt #: 180 total cpu time spent up to now is 128.4 secs Computing kpt #: 181 total cpu time spent up to now is 129.1 secs Computing kpt #: 182 total cpu time spent up to now is 129.9 secs Computing kpt #: 183 total cpu time spent up to now is 130.6 secs Computing kpt #: 184 total cpu time spent up to now is 131.4 secs Computing kpt #: 185 total cpu time spent up to now is 132.1 secs Computing kpt #: 186 total cpu time spent up to now is 132.9 secs Computing kpt #: 187 total cpu time spent up to now is 133.7 secs Computing kpt #: 188 total cpu time spent up to now is 134.5 secs Computing kpt #: 189 total cpu time spent up to now is 135.3 secs Computing kpt #: 190 total cpu time spent up to now is 136.2 secs Computing kpt #: 191 total cpu time spent up to now is 137.0 secs Computing kpt #: 192 total cpu time spent up to now is 137.9 secs Computing kpt #: 193 total cpu time spent up to now is 138.7 secs Computing kpt #: 194 total cpu time spent up to now is 139.5 secs Computing kpt #: 195 total cpu time spent up to now is 140.3 secs Computing kpt #: 196 total cpu time spent up to now is 141.2 secs Computing kpt #: 197 total cpu time spent up to now is 142.0 secs Computing kpt #: 198 total cpu time spent up to now is 142.9 secs Computing kpt #: 199 total cpu time spent up to now is 143.8 secs Computing kpt #: 200 total cpu time spent up to now is 144.6 secs Computing kpt #: 201 total cpu time spent up to now is 145.4 secs Computing kpt #: 202 total cpu time spent up to now is 146.1 secs Computing kpt #: 203 total cpu time spent up to now is 146.8 secs Computing kpt #: 204 total cpu time spent up to now is 147.4 secs Computing kpt #: 205 total cpu time spent up to now is 148.1 secs Computing kpt #: 206 total cpu time spent up to now is 148.7 secs Computing kpt #: 207 total cpu time spent up to now is 149.4 secs Computing kpt #: 208 total cpu time spent up to now is 150.0 secs Computing kpt #: 209 total cpu time spent up to now is 150.7 secs Computing kpt #: 210 total cpu time spent up to now is 151.3 secs Computing kpt #: 211 total cpu time spent up to now is 152.0 secs Computing kpt #: 212 total cpu time spent up to now is 152.6 secs Computing kpt #: 213 total cpu time spent up to now is 153.2 secs Computing kpt #: 214 total cpu time spent up to now is 153.9 secs Computing kpt #: 215 total cpu time spent up to now is 154.5 secs Computing kpt #: 216 total cpu time spent up to now is 155.2 secs Computing kpt #: 217 total cpu time spent up to now is 155.9 secs Computing kpt #: 218 total cpu time spent up to now is 156.5 secs Computing kpt #: 219 total cpu time spent up to now is 157.2 secs Computing kpt #: 220 total cpu time spent up to now is 157.8 secs Computing kpt #: 221 total cpu time spent up to now is 158.5 secs Computing kpt #: 222 total cpu time spent up to now is 159.1 secs Computing kpt #: 223 total cpu time spent up to now is 159.8 secs Computing kpt #: 224 total cpu time spent up to now is 160.5 secs Computing kpt #: 225 total cpu time spent up to now is 161.1 secs Computing kpt #: 226 total cpu time spent up to now is 161.8 secs Computing kpt #: 227 total cpu time spent up to now is 162.4 secs Computing kpt #: 228 total cpu time spent up to now is 163.1 secs Computing kpt #: 229 total cpu time spent up to now is 163.7 secs Computing kpt #: 230 total cpu time spent up to now is 164.3 secs Computing kpt #: 231 total cpu time spent up to now is 165.0 secs Computing kpt #: 232 total cpu time spent up to now is 165.6 secs Computing kpt #: 233 total cpu time spent up to now is 166.3 secs Computing kpt #: 234 total cpu time spent up to now is 166.9 secs Computing kpt #: 235 total cpu time spent up to now is 167.5 secs Computing kpt #: 236 total cpu time spent up to now is 168.2 secs Computing kpt #: 237 total cpu time spent up to now is 168.8 secs Computing kpt #: 238 total cpu time spent up to now is 169.5 secs Computing kpt #: 239 total cpu time spent up to now is 170.1 secs Computing kpt #: 240 total cpu time spent up to now is 170.8 secs Computing kpt #: 241 total cpu time spent up to now is 171.4 secs Computing kpt #: 242 total cpu time spent up to now is 172.0 secs Computing kpt #: 243 total cpu time spent up to now is 172.7 secs Computing kpt #: 244 total cpu time spent up to now is 173.3 secs Computing kpt #: 245 total cpu time spent up to now is 174.0 secs Computing kpt #: 246 total cpu time spent up to now is 174.6 secs Computing kpt #: 247 total cpu time spent up to now is 175.3 secs Computing kpt #: 248 total cpu time spent up to now is 176.0 secs Computing kpt #: 249 total cpu time spent up to now is 176.6 secs Computing kpt #: 250 total cpu time spent up to now is 177.3 secs Computing kpt #: 251 total cpu time spent up to now is 177.9 secs Computing kpt #: 252 total cpu time spent up to now is 178.6 secs Computing kpt #: 253 total cpu time spent up to now is 179.2 secs Computing kpt #: 254 total cpu time spent up to now is 179.9 secs Computing kpt #: 255 total cpu time spent up to now is 180.6 secs Computing kpt #: 256 total cpu time spent up to now is 181.2 secs Computing kpt #: 257 total cpu time spent up to now is 181.8 secs Computing kpt #: 258 total cpu time spent up to now is 182.5 secs Computing kpt #: 259 total cpu time spent up to now is 183.1 secs Computing kpt #: 260 total cpu time spent up to now is 183.8 secs Computing kpt #: 261 total cpu time spent up to now is 184.5 secs Computing kpt #: 262 total cpu time spent up to now is 185.2 secs Computing kpt #: 263 total cpu time spent up to now is 186.0 secs Computing kpt #: 264 total cpu time spent up to now is 186.8 secs Computing kpt #: 265 total cpu time spent up to now is 187.6 secs Computing kpt #: 266 total cpu time spent up to now is 188.4 secs Computing kpt #: 267 total cpu time spent up to now is 189.2 secs Computing kpt #: 268 total cpu time spent up to now is 190.1 secs Computing kpt #: 269 total cpu time spent up to now is 191.0 secs Computing kpt #: 270 total cpu time spent up to now is 191.7 secs Computing kpt #: 271 total cpu time spent up to now is 192.5 secs Computing kpt #: 272 total cpu time spent up to now is 193.1 secs Computing kpt #: 273 total cpu time spent up to now is 193.8 secs Computing kpt #: 274 total cpu time spent up to now is 194.6 secs Computing kpt #: 275 total cpu time spent up to now is 195.2 secs Computing kpt #: 276 total cpu time spent up to now is 195.9 secs Computing kpt #: 277 total cpu time spent up to now is 196.6 secs Computing kpt #: 278 total cpu time spent up to now is 197.4 secs Computing kpt #: 279 total cpu time spent up to now is 198.1 secs Computing kpt #: 280 total cpu time spent up to now is 198.7 secs Computing kpt #: 281 total cpu time spent up to now is 199.4 secs Computing kpt #: 282 total cpu time spent up to now is 200.0 secs Computing kpt #: 283 total cpu time spent up to now is 200.7 secs Computing kpt #: 284 total cpu time spent up to now is 201.3 secs Computing kpt #: 285 total cpu time spent up to now is 201.9 secs Computing kpt #: 286 total cpu time spent up to now is 202.6 secs Computing kpt #: 287 total cpu time spent up to now is 203.2 secs Computing kpt #: 288 total cpu time spent up to now is 203.9 secs Computing kpt #: 289 total cpu time spent up to now is 204.5 secs Computing kpt #: 290 total cpu time spent up to now is 205.1 secs Computing kpt #: 291 total cpu time spent up to now is 205.8 secs Computing kpt #: 292 total cpu time spent up to now is 206.4 secs Computing kpt #: 293 total cpu time spent up to now is 207.1 secs Computing kpt #: 294 total cpu time spent up to now is 207.7 secs Computing kpt #: 295 total cpu time spent up to now is 208.3 secs Computing kpt #: 296 total cpu time spent up to now is 208.9 secs Computing kpt #: 297 total cpu time spent up to now is 209.6 secs Computing kpt #: 298 total cpu time spent up to now is 210.2 secs Computing kpt #: 299 total cpu time spent up to now is 210.8 secs Computing kpt #: 300 total cpu time spent up to now is 211.4 secs Computing kpt #: 301 total cpu time spent up to now is 212.0 secs Computing kpt #: 302 total cpu time spent up to now is 212.7 secs Computing kpt #: 303 total cpu time spent up to now is 213.3 secs Computing kpt #: 304 total cpu time spent up to now is 213.9 secs Computing kpt #: 305 total cpu time spent up to now is 214.5 secs Computing kpt #: 306 total cpu time spent up to now is 215.1 secs Computing kpt #: 307 total cpu time spent up to now is 215.8 secs Computing kpt #: 308 total cpu time spent up to now is 216.4 secs Computing kpt #: 309 total cpu time spent up to now is 217.0 secs Computing kpt #: 310 total cpu time spent up to now is 217.6 secs Computing kpt #: 311 total cpu time spent up to now is 218.3 secs Computing kpt #: 312 total cpu time spent up to now is 218.9 secs Computing kpt #: 313 total cpu time spent up to now is 219.5 secs Computing kpt #: 314 total cpu time spent up to now is 220.1 secs Computing kpt #: 315 total cpu time spent up to now is 220.7 secs Computing kpt #: 316 total cpu time spent up to now is 221.3 secs Computing kpt #: 317 total cpu time spent up to now is 221.9 secs Computing kpt #: 318 total cpu time spent up to now is 222.6 secs Computing kpt #: 319 total cpu time spent up to now is 223.2 secs Computing kpt #: 320 total cpu time spent up to now is 223.8 secs Computing kpt #: 321 total cpu time spent up to now is 224.4 secs Computing kpt #: 322 total cpu time spent up to now is 225.0 secs Computing kpt #: 323 total cpu time spent up to now is 225.7 secs Computing kpt #: 324 total cpu time spent up to now is 226.3 secs Computing kpt #: 325 total cpu time spent up to now is 226.9 secs Computing kpt #: 326 total cpu time spent up to now is 227.5 secs Computing kpt #: 327 total cpu time spent up to now is 228.1 secs Computing kpt #: 328 total cpu time spent up to now is 228.8 secs Computing kpt #: 329 total cpu time spent up to now is 229.4 secs Computing kpt #: 330 total cpu time spent up to now is 230.0 secs Computing kpt #: 331 total cpu time spent up to now is 230.7 secs Computing kpt #: 332 total cpu time spent up to now is 231.3 secs Computing kpt #: 333 total cpu time spent up to now is 231.9 secs Computing kpt #: 334 total cpu time spent up to now is 232.5 secs Computing kpt #: 335 total cpu time spent up to now is 233.2 secs Computing kpt #: 336 total cpu time spent up to now is 233.9 secs Computing kpt #: 337 total cpu time spent up to now is 234.6 secs Computing kpt #: 338 total cpu time spent up to now is 235.3 secs Computing kpt #: 339 total cpu time spent up to now is 236.1 secs Computing kpt #: 340 total cpu time spent up to now is 236.8 secs Computing kpt #: 341 total cpu time spent up to now is 237.5 secs Computing kpt #: 342 total cpu time spent up to now is 238.3 secs Computing kpt #: 343 total cpu time spent up to now is 239.2 secs Computing kpt #: 344 total cpu time spent up to now is 240.0 secs Computing kpt #: 345 total cpu time spent up to now is 240.9 secs Computing kpt #: 346 total cpu time spent up to now is 241.7 secs Computing kpt #: 347 total cpu time spent up to now is 242.6 secs Computing kpt #: 348 total cpu time spent up to now is 243.4 secs Computing kpt #: 349 total cpu time spent up to now is 244.3 secs Computing kpt #: 350 total cpu time spent up to now is 245.1 secs Computing kpt #: 351 total cpu time spent up to now is 245.9 secs Computing kpt #: 352 total cpu time spent up to now is 246.8 secs Computing kpt #: 353 total cpu time spent up to now is 247.6 secs Computing kpt #: 354 total cpu time spent up to now is 248.4 secs Computing kpt #: 355 total cpu time spent up to now is 249.2 secs Computing kpt #: 356 total cpu time spent up to now is 250.0 secs Computing kpt #: 357 total cpu time spent up to now is 250.7 secs Computing kpt #: 358 total cpu time spent up to now is 251.5 secs Computing kpt #: 359 total cpu time spent up to now is 252.2 secs Computing kpt #: 360 total cpu time spent up to now is 252.9 secs Computing kpt #: 361 total cpu time spent up to now is 253.6 secs Computing kpt #: 362 total cpu time spent up to now is 254.3 secs Computing kpt #: 363 total cpu time spent up to now is 255.0 secs Computing kpt #: 364 total cpu time spent up to now is 255.6 secs Computing kpt #: 365 total cpu time spent up to now is 256.2 secs Computing kpt #: 366 total cpu time spent up to now is 256.9 secs Computing kpt #: 367 total cpu time spent up to now is 257.5 secs Computing kpt #: 368 total cpu time spent up to now is 258.1 secs Computing kpt #: 369 total cpu time spent up to now is 258.8 secs Computing kpt #: 370 total cpu time spent up to now is 259.4 secs Computing kpt #: 371 total cpu time spent up to now is 260.0 secs Computing kpt #: 372 total cpu time spent up to now is 260.7 secs Computing kpt #: 373 total cpu time spent up to now is 261.3 secs Computing kpt #: 374 total cpu time spent up to now is 261.9 secs Computing kpt #: 375 total cpu time spent up to now is 262.5 secs Computing kpt #: 376 total cpu time spent up to now is 263.2 secs Computing kpt #: 377 total cpu time spent up to now is 263.8 secs Computing kpt #: 378 total cpu time spent up to now is 264.4 secs Computing kpt #: 379 total cpu time spent up to now is 265.0 secs Computing kpt #: 380 total cpu time spent up to now is 265.6 secs Computing kpt #: 381 total cpu time spent up to now is 266.3 secs Computing kpt #: 382 total cpu time spent up to now is 266.9 secs Computing kpt #: 383 total cpu time spent up to now is 267.5 secs Computing kpt #: 384 total cpu time spent up to now is 268.1 secs Computing kpt #: 385 total cpu time spent up to now is 268.8 secs Computing kpt #: 386 total cpu time spent up to now is 269.4 secs Computing kpt #: 387 total cpu time spent up to now is 270.2 secs Computing kpt #: 388 total cpu time spent up to now is 270.8 secs Computing kpt #: 389 total cpu time spent up to now is 271.5 secs Computing kpt #: 390 total cpu time spent up to now is 272.1 secs Computing kpt #: 391 total cpu time spent up to now is 272.8 secs Computing kpt #: 392 total cpu time spent up to now is 273.6 secs Computing kpt #: 393 total cpu time spent up to now is 274.3 secs Computing kpt #: 394 total cpu time spent up to now is 275.1 secs Computing kpt #: 395 total cpu time spent up to now is 275.9 secs Computing kpt #: 396 total cpu time spent up to now is 276.7 secs Computing kpt #: 397 total cpu time spent up to now is 277.4 secs Computing kpt #: 398 total cpu time spent up to now is 278.2 secs Computing kpt #: 399 total cpu time spent up to now is 279.0 secs Computing kpt #: 400 total cpu time spent up to now is 279.8 secs Computing kpt #: 401 total cpu time spent up to now is 280.6 secs Computing kpt #: 402 total cpu time spent up to now is 281.4 secs Computing kpt #: 403 total cpu time spent up to now is 282.1 secs Computing kpt #: 404 total cpu time spent up to now is 282.9 secs Computing kpt #: 405 total cpu time spent up to now is 283.6 secs Computing kpt #: 406 total cpu time spent up to now is 284.2 secs Computing kpt #: 407 total cpu time spent up to now is 284.9 secs Computing kpt #: 408 total cpu time spent up to now is 285.5 secs Computing kpt #: 409 total cpu time spent up to now is 286.2 secs Computing kpt #: 410 total cpu time spent up to now is 286.8 secs Computing kpt #: 411 total cpu time spent up to now is 287.4 secs Computing kpt #: 412 total cpu time spent up to now is 288.1 secs Computing kpt #: 413 total cpu time spent up to now is 288.8 secs Computing kpt #: 414 total cpu time spent up to now is 289.5 secs Computing kpt #: 415 total cpu time spent up to now is 290.2 secs Computing kpt #: 416 total cpu time spent up to now is 290.9 secs Computing kpt #: 417 total cpu time spent up to now is 291.7 secs Computing kpt #: 418 total cpu time spent up to now is 292.4 secs Computing kpt #: 419 total cpu time spent up to now is 293.1 secs Computing kpt #: 420 total cpu time spent up to now is 293.8 secs Computing kpt #: 421 total cpu time spent up to now is 294.5 secs Computing kpt #: 422 total cpu time spent up to now is 295.2 secs Computing kpt #: 423 total cpu time spent up to now is 296.0 secs Computing kpt #: 424 total cpu time spent up to now is 296.7 secs Computing kpt #: 425 total cpu time spent up to now is 297.4 secs Computing kpt #: 426 total cpu time spent up to now is 298.1 secs Computing kpt #: 427 total cpu time spent up to now is 298.9 secs Computing kpt #: 428 total cpu time spent up to now is 299.9 secs Computing kpt #: 429 total cpu time spent up to now is 300.7 secs Computing kpt #: 430 total cpu time spent up to now is 301.5 secs Computing kpt #: 431 total cpu time spent up to now is 303.0 secs Computing kpt #: 432 total cpu time spent up to now is 304.6 secs Computing kpt #: 433 total cpu time spent up to now is 305.8 secs Computing kpt #: 434 total cpu time spent up to now is 306.6 secs Computing kpt #: 435 total cpu time spent up to now is 307.3 secs Computing kpt #: 436 total cpu time spent up to now is 308.1 secs Computing kpt #: 437 total cpu time spent up to now is 308.8 secs Computing kpt #: 438 total cpu time spent up to now is 309.5 secs Computing kpt #: 439 total cpu time spent up to now is 310.2 secs Computing kpt #: 440 total cpu time spent up to now is 310.9 secs ethr = 2.50E-11, avg # of iterations = 22.0 total cpu time spent up to now is 310.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6014 -4.6014 -1.7414 -1.7414 -0.5728 -0.5728 0.4545 0.4545 3.4480 3.4480 4.7192 4.7192 5.6031 5.6031 6.4266 6.4266 6.4636 6.4636 6.5364 6.5364 6.6470 6.6470 7.2013 7.2013 7.3998 7.3998 7.4372 7.4372 7.4835 7.4835 7.5402 7.5402 7.6802 7.6802 7.9660 7.9660 7.9766 7.9766 9.7121 9.7121 10.7756 10.7756 12.8633 12.8633 13.1855 13.1855 13.3617 13.3617 k = 0.0111-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.6002 -4.6002 -1.7411 -1.7411 -0.5719 -0.5719 0.4548 0.4548 3.4494 3.4494 4.7194 4.7194 5.6038 5.6038 6.4203 6.4203 6.4382 6.4382 6.5683 6.5683 6.6476 6.6476 7.1912 7.1912 7.3972 7.3972 7.4292 7.4292 7.4911 7.4911 7.5408 7.5408 7.6795 7.6795 7.9691 7.9691 7.9778 7.9778 9.7146 9.7146 10.7691 10.7691 12.8356 12.8356 13.1840 13.1840 13.3869 13.3869 k = 0.0222-0.0000-0.0000 ( 3021 PWs) bands (ev): -4.5966 -4.5966 -1.7402 -1.7402 -0.5694 -0.5694 0.4560 0.4560 3.4536 3.4536 4.7199 4.7199 5.6057 5.6057 6.3763 6.3763 6.4295 6.4295 6.6201 6.6201 6.6512 6.6512 7.1608 7.1608 7.3886 7.3886 7.4179 7.4179 7.5031 7.5031 7.5429 7.5429 7.6779 7.6779 7.9635 7.9635 7.9947 7.9947 9.7220 9.7220 10.7499 10.7499 12.7641 12.7641 13.1819 13.1819 13.4480 13.4480 k = 0.0333-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.5907 -4.5907 -1.7387 -1.7387 -0.5653 -0.5653 0.4579 0.4579 3.4606 3.4606 4.7207 4.7207 5.6089 5.6089 6.3229 6.3229 6.4273 6.4273 6.6453 6.6453 6.6853 6.6853 7.1108 7.1108 7.3762 7.3762 7.4109 7.4109 7.5113 7.5113 7.5470 7.5470 7.6770 7.6770 7.9504 7.9504 8.0218 8.0218 9.7340 9.7340 10.7185 10.7185 12.6678 12.6678 13.1805 13.1805 13.5191 13.5191 k = 0.0444-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.5823 -4.5823 -1.7367 -1.7367 -0.5595 -0.5595 0.4606 0.4606 3.4704 3.4704 4.7218 4.7218 5.6134 5.6134 6.2692 6.2692 6.4249 6.4249 6.6491 6.6491 6.7417 6.7417 7.0452 7.0452 7.3643 7.3643 7.4062 7.4062 7.5150 7.5150 7.5526 7.5526 7.6779 7.6779 7.9318 7.9318 8.0534 8.0534 9.7502 9.7502 10.6758 10.6758 12.5589 12.5589 13.1790 13.1790 13.4409 13.4409 k = 0.0556-0.0000-0.0000 ( 3033 PWs) bands (ev): -4.5716 -4.5716 -1.7341 -1.7341 -0.5520 -0.5520 0.4640 0.4640 3.4829 3.4829 4.7228 4.7228 5.6190 5.6190 6.2162 6.2162 6.4220 6.4220 6.6521 6.6521 6.7947 6.7947 6.9726 6.9726 7.3534 7.3534 7.4021 7.4021 7.5157 7.5157 7.5581 7.5581 7.6811 7.6811 7.9078 7.9078 8.0861 8.0861 9.7700 9.7700 10.6231 10.6231 12.4438 12.4438 13.1756 13.1756 13.3435 13.3435 k = 0.0667-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5585 -4.5585 -1.7311 -1.7311 -0.5430 -0.5430 0.4682 0.4682 3.4982 3.4982 4.7238 4.7238 5.6259 5.6259 6.1641 6.1641 6.4186 6.4186 6.6551 6.6551 6.8136 6.8136 6.9261 6.9261 7.3428 7.3428 7.3986 7.3986 7.5150 7.5150 7.5628 7.5628 7.6866 7.6866 7.8783 7.8783 8.1177 8.1177 9.7930 9.7930 10.5617 10.5617 12.3258 12.3258 13.1662 13.1662 13.2350 13.2350 k = 0.0778-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5430 -4.5430 -1.7277 -1.7277 -0.5323 -0.5323 0.4730 0.4730 3.5163 3.5163 4.7246 4.7246 5.6339 5.6339 6.1131 6.1131 6.4146 6.4146 6.6576 6.6576 6.7502 6.7502 6.9572 6.9572 7.3315 7.3315 7.3958 7.3958 7.5134 7.5134 7.5664 7.5664 7.6943 7.6943 7.8435 7.8435 8.1470 8.1470 9.8184 9.8184 10.4929 10.4929 12.2071 12.2071 13.0964 13.0964 13.1718 13.1718 k = 0.0889-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5252 -4.5252 -1.7239 -1.7239 -0.5200 -0.5200 0.4785 0.4785 3.5371 3.5371 4.7248 4.7248 5.6430 5.6430 6.0633 6.0633 6.4101 6.4101 6.6421 6.6421 6.6765 6.6765 7.0134 7.0134 7.3190 7.3190 7.3940 7.3940 7.5115 7.5115 7.5690 7.5690 7.7039 7.7039 7.8034 7.8034 8.1734 8.1734 9.8456 9.8456 10.4181 10.4181 12.0893 12.0893 12.9665 12.9665 13.1551 13.1551 k = 0.1000-0.0000-0.0000 ( 3042 PWs) bands (ev): -4.5051 -4.5051 -1.7199 -1.7199 -0.5062 -0.5062 0.4846 0.4846 3.5607 3.5607 4.7241 4.7241 5.6531 5.6531 6.0147 6.0147 6.4044 6.4044 6.5521 6.5521 6.6719 6.6719 7.0729 7.0729 7.3050 7.3050 7.3936 7.3936 7.5095 7.5095 7.5708 7.5708 7.7146 7.7146 7.7588 7.7588 8.1966 8.1966 9.8740 9.8740 10.3387 10.3387 11.9734 11.9734 12.8263 12.8263 13.1365 13.1365 k = 0.1111-0.0000-0.0000 ( 3038 PWs) bands (ev): -4.4827 -4.4827 -1.7157 -1.7157 -0.4909 -0.4909 0.4914 0.4914 3.5870 3.5870 4.7221 4.7221 5.6642 5.6642 5.9674 5.9674 6.3944 6.3944 6.4563 6.4563 6.6761 6.6761 7.1310 7.1310 7.2898 7.2898 7.3953 7.3953 7.5076 7.5076 7.5713 7.5713 7.7078 7.7078 7.7289 7.7289 8.2166 8.2166 9.9029 9.9029 10.2558 10.2558 11.8605 11.8605 12.6802 12.6802 13.1128 13.1128 k = 0.1222-0.0000-0.0000 ( 3044 PWs) bands (ev): -4.4579 -4.4579 -1.7115 -1.7115 -0.4740 -0.4740 0.4986 0.4986 3.6159 3.6159 4.7183 4.7183 5.6760 5.6760 5.9213 5.9213 6.3392 6.3392 6.4054 6.4054 6.6812 6.6812 7.1828 7.1828 7.2753 7.2753 7.4004 7.4004 7.5059 7.5059 7.5686 7.5686 7.6589 7.6589 7.7409 7.7409 8.2334 8.2334 9.9316 9.9316 10.1710 10.1710 11.7513 11.7513 12.5301 12.5301 13.0831 13.0831 k = 0.1333-0.0000-0.0000 ( 3040 PWs) bands (ev): -4.4309 -4.4309 -1.7073 -1.7073 -0.4556 -0.4556 0.5064 0.5064 3.6475 3.6475 4.7121 4.7121 5.6887 5.6887 5.8765 5.8765 6.2452 6.2452 6.3955 6.3955 6.6867 6.6867 7.2149 7.2149 7.2707 7.2707 7.4104 7.4104 7.5038 7.5038 7.5528 7.5528 7.6215 7.6215 7.7545 7.7545 8.2472 8.2472 9.9584 9.9584 10.0864 10.0864 11.6464 11.6464 12.3774 12.3774 13.0473 13.0473 k = 0.1444-0.0000-0.0000 ( 3036 PWs) bands (ev): -4.4016 -4.4016 -1.7034 -1.7034 -0.4358 -0.4358 0.5146 0.5146 3.6818 3.6818 4.7028 4.7028 5.7020 5.7020 5.8331 5.8331 6.1519 6.1519 6.3885 6.3885 6.6922 6.6922 7.2108 7.2108 7.2875 7.2875 7.4259 7.4259 7.4859 7.4859 7.5260 7.5260 7.6141 7.6141 7.7686 7.7686 8.2583 8.2583 9.9651 9.9651 10.0206 10.0206 11.5467 11.5467 12.2230 12.2230 13.0053 13.0053 k = 0.1556-0.0000-0.0000 ( 3034 PWs) bands (ev): -4.3700 -4.3700 -1.6998 -1.6998 -0.4146 -0.4146 0.5232 0.5232 3.7186 3.7186 4.6899 4.6899 5.7158 5.7158 5.7910 5.7910 6.0636 6.0636 6.3820 6.3820 6.6975 6.6975 7.1907 7.1907 7.3029 7.3029 7.4280 7.4280 7.4434 7.4434 7.5271 7.5271 7.6281 7.6281 7.7830 7.7830 8.2668 8.2668 9.8963 9.8963 10.0295 10.0295 11.4524 11.4524 12.0680 12.0680 12.9572 12.9572 k = 0.1667-0.0000-0.0000 ( 3038 PWs) bands (ev): -4.3363 -4.3363 -1.6967 -1.6967 -0.3921 -0.3921 0.5321 0.5321 3.7580 3.7580 4.6724 4.6724 5.7298 5.7298 5.7504 5.7504 5.9821 5.9821 6.3752 6.3752 6.7021 6.7021 7.1660 7.1660 7.3030 7.3030 7.3667 7.3667 7.4528 7.4528 7.5363 7.5363 7.6603 7.6603 7.7976 7.7976 8.2730 8.2730 9.8101 9.8101 10.0552 10.0552 11.3643 11.3643 11.9129 11.9129 12.9032 12.9032 k = 0.1778-0.0000-0.0000 ( 3036 PWs) bands (ev): -4.3004 -4.3004 -1.6942 -1.6942 -0.3682 -0.3682 0.5413 0.5413 3.7999 3.7999 4.6497 4.6497 5.7108 5.7108 5.7444 5.7444 5.9090 5.9090 6.3679 6.3679 6.7054 6.7054 7.1386 7.1386 7.2597 7.2597 7.3380 7.3380 7.4565 7.4565 7.5442 7.5442 7.7089 7.7089 7.8126 7.8126 8.2771 8.2771 9.7224 9.7224 10.0822 10.0822 11.2826 11.2826 11.7585 11.7585 12.8439 12.8439 k = 0.1889-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.2623 -4.2623 -1.6926 -1.6926 -0.3431 -0.3431 0.5506 0.5506 3.8442 3.8442 4.6214 4.6214 5.6731 5.6731 5.7585 5.7585 5.8453 5.8453 6.3599 6.3599 6.7064 6.7064 7.1088 7.1088 7.1867 7.1867 7.3340 7.3340 7.4566 7.4566 7.5490 7.5490 7.7667 7.7667 7.8296 7.8296 8.2793 8.2793 9.6347 9.6347 10.1091 10.1091 11.2077 11.2077 11.6054 11.6054 12.7798 12.7798 k = 0.2000-0.0000-0.0000 ( 3044 PWs) bands (ev): -4.2221 -4.2221 -1.6920 -1.6920 -0.3168 -0.3168 0.5601 0.5601 3.8908 3.8908 4.5874 4.5874 5.6370 5.6370 5.7708 5.7708 5.7931 5.7931 6.3511 6.3511 6.7033 6.7033 7.0744 7.0744 7.1130 7.1130 7.3328 7.3328 7.4548 7.4548 7.5520 7.5520 7.8172 7.8172 7.8604 7.8604 8.2796 8.2796 9.5473 9.5473 10.1356 10.1356 11.1399 11.1399 11.4540 11.4540 12.7115 12.7115 k = 0.2111-0.0000-0.0000 ( 3042 PWs) bands (ev): -4.1798 -4.1798 -1.6926 -1.6926 -0.2893 -0.2893 0.5696 0.5696 3.9395 3.9395 4.5481 4.5481 5.6026 5.6026 5.7458 5.7458 5.7878 5.7878 6.3412 6.3412 6.6925 6.6925 7.0213 7.0213 7.0605 7.0605 7.3316 7.3316 7.4521 7.4521 7.5539 7.5539 7.8408 7.8408 7.9217 7.9217 8.2783 8.2783 9.4605 9.4605 10.1617 10.1617 11.0793 11.0793 11.3048 11.3048 12.6398 12.6398 k = 0.2222-0.0000-0.0000 ( 3044 PWs) bands (ev): -4.1355 -4.1355 -1.6947 -1.6947 -0.2608 -0.2608 0.5790 0.5790 3.9900 3.9900 4.5041 4.5041 5.5699 5.5699 5.7124 5.7124 5.7998 5.7998 6.3299 6.3299 6.6685 6.6685 6.9597 6.9597 7.0264 7.0264 7.3302 7.3302 7.4489 7.4489 7.5551 7.5551 7.8551 7.8551 7.9941 7.9941 8.2756 8.2756 9.3742 9.3742 10.1873 10.1873 11.0257 11.0257 11.1586 11.1586 12.5653 12.5653 k = 0.2333-0.0000-0.0000 ( 3042 PWs) bands (ev): -4.0892 -4.0892 -1.6983 -1.6983 -0.2313 -0.2313 0.5883 0.5883 4.0418 4.0418 4.4572 4.4572 5.5393 5.5393 5.6879 5.6879 5.8109 5.8109 6.3165 6.3165 6.6251 6.6251 6.9122 6.9122 6.9958 6.9958 7.3285 7.3285 7.4456 7.4456 7.5559 7.5559 7.8672 7.8672 8.0698 8.0698 8.2717 8.2717 9.2885 9.2885 10.2127 10.2127 10.9763 10.9763 11.0188 11.0188 12.4887 12.4887 k = 0.2444-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.0410 -4.0410 -1.7038 -1.7038 -0.2008 -0.2008 0.5973 0.5973 4.0938 4.0938 4.4096 4.4096 5.5103 5.5103 5.6719 5.6719 5.8198 5.8198 6.3009 6.3009 6.5614 6.5614 6.8828 6.8828 6.9672 6.9672 7.3266 7.3266 7.4424 7.4424 7.5566 7.5566 7.8781 7.8781 8.1461 8.1461 8.2672 8.2672 9.2033 9.2033 10.2377 10.2377 10.8701 10.8701 10.9466 10.9466 12.4107 12.4107 k = 0.2556-0.0000-0.0000 ( 3048 PWs) bands (ev): -3.9909 -3.9909 -1.7113 -1.7113 -0.1695 -0.1695 0.6060 0.6060 4.1425 4.1425 4.3660 4.3660 5.4831 5.4831 5.6635 5.6635 5.8256 5.8256 6.2826 6.2826 6.4838 6.4838 6.8667 6.8667 6.9410 6.9410 7.3244 7.3244 7.4396 7.4396 7.5573 7.5573 7.8881 7.8881 8.2175 8.2175 8.2671 8.2671 9.1185 9.1185 10.2626 10.2626 10.7352 10.7352 10.9143 10.9143 12.3320 12.3320 k = 0.2667-0.0000-0.0000 ( 3048 PWs) bands (ev): -3.9389 -3.9389 -1.7210 -1.7210 -0.1374 -0.1374 0.6143 0.6143 4.1772 4.1772 4.3383 4.3383 5.4575 5.4575 5.6617 5.6617 5.8265 5.8265 6.2610 6.2610 6.3999 6.3999 6.8578 6.8578 6.9178 6.9178 7.3220 7.3220 7.4375 7.4375 7.5580 7.5580 7.8973 7.8973 8.2414 8.2414 8.3133 8.3133 9.0344 9.0344 10.2873 10.2873 10.6036 10.6036 10.8903 10.8903 12.2531 12.2531 k = 0.2778-0.0000-0.0000 ( 3042 PWs) bands (ev): -3.8852 -3.8852 -1.7332 -1.7332 -0.1047 -0.1047 0.6220 0.6220 4.1775 4.1775 4.3484 4.3484 5.4338 5.4338 5.6655 5.6655 5.8200 5.8200 6.2358 6.2358 6.3168 6.3168 6.8517 6.8517 6.8984 6.8984 7.3193 7.3193 7.4363 7.4363 7.5589 7.5589 7.9061 7.9061 8.2352 8.2352 8.3879 8.3879 8.9508 8.9508 10.3118 10.3118 10.4770 10.4770 10.8734 10.8734 12.1745 12.1745 k = 0.2889-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.8297 -3.8297 -1.7479 -1.7479 -0.0714 -0.0714 0.6291 0.6291 4.1476 4.1476 4.3927 4.3927 5.4119 5.4119 5.6741 5.6741 5.8022 5.8022 6.2062 6.2062 6.2413 6.2413 6.8458 6.8458 6.8835 6.8835 7.3162 7.3162 7.4365 7.4365 7.5599 7.5599 7.9143 7.9143 8.2252 8.2252 8.4635 8.4635 8.8682 8.8682 10.3317 10.3317 10.3609 10.3609 10.8630 10.8630 12.0967 12.0967 k = 0.3000-0.0000-0.0000 ( 3034 PWs) bands (ev): -3.7726 -3.7726 -1.7654 -1.7654 -0.0376 -0.0376 0.6354 0.6354 4.1084 4.1084 4.4516 4.4516 5.3918 5.3918 5.6864 5.6864 5.7687 5.7687 6.1666 6.1666 6.1849 6.1849 6.8388 6.8388 6.8732 6.8732 7.3127 7.3127 7.4382 7.4382 7.5612 7.5612 7.9222 7.9222 8.2136 8.2136 8.5366 8.5366 8.7872 8.7872 10.2394 10.2394 10.3640 10.3640 10.8586 10.8586 12.0200 12.0200 k = 0.3111-0.0000-0.0000 ( 3034 PWs) bands (ev): -3.7139 -3.7139 -1.7859 -1.7859 -0.0034 -0.0034 0.6409 0.6409 4.0687 4.0687 4.5168 4.5168 5.3737 5.3737 5.6984 5.6984 5.7197 5.7197 6.1214 6.1214 6.1473 6.1473 6.8303 6.8303 6.8666 6.8666 7.3086 7.3086 7.4419 7.4419 7.5629 7.5629 7.9299 7.9299 8.2006 8.2006 8.6019 8.6019 8.7116 8.7116 10.1336 10.1336 10.3890 10.3890 10.8595 10.8595 11.9447 11.9447 k = 0.3222-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.6538 -3.6538 -1.8094 -1.8094 0.0310 0.0310 0.6454 0.6454 4.0317 4.0317 4.5857 4.5857 5.3576 5.3576 5.6430 5.6430 5.7232 5.7232 6.0844 6.0844 6.1146 6.1146 6.8206 6.8206 6.8630 6.8630 7.3038 7.3038 7.4478 7.4478 7.5649 7.5649 7.9375 7.9375 8.1865 8.1865 8.6066 8.6066 8.6927 8.6927 10.0375 10.0375 10.4148 10.4148 10.8652 10.8652 11.8710 11.8710 k = 0.3333-0.0000-0.0000 ( 3040 PWs) bands (ev): -3.5923 -3.5923 -1.8360 -1.8360 0.0656 0.0656 0.6488 0.6488 3.9991 3.9991 4.6571 4.6571 5.3436 5.3436 5.5599 5.5599 5.7435 5.7435 6.0485 6.0485 6.0901 6.0901 6.8087 6.8087 6.8623 6.8623 7.2983 7.2983 7.4560 7.4560 7.5673 7.5673 7.9451 7.9451 8.1713 8.1713 8.5368 8.5368 8.7422 8.7422 9.9539 9.9539 10.4412 10.4412 10.8748 10.8748 11.7991 11.7991 k = 0.3444-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.5294 -3.5294 -1.8658 -1.8658 0.1002 0.1002 0.6510 0.6510 3.9716 3.9716 4.7304 4.7304 5.3316 5.3316 5.4684 5.4684 5.7659 5.7659 6.0082 6.0082 6.0753 6.0753 6.7936 6.7936 6.8649 6.8649 7.2921 7.2921 7.4667 7.4667 7.5703 7.5703 7.9528 7.9528 8.1553 8.1553 8.4618 8.4618 8.7881 8.7881 9.8859 9.8859 10.4682 10.4682 10.8874 10.8874 11.7291 11.7291 k = 0.3556-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.4654 -3.4654 -1.8988 -1.8988 0.1347 0.1347 0.6520 0.6520 3.9498 3.9498 4.8052 4.8052 5.3214 5.3214 5.3731 5.3731 5.7896 5.7896 5.9653 5.9653 6.0659 6.0659 6.7744 6.7744 6.8710 6.8710 7.2849 7.2849 7.4799 7.4799 7.5739 7.5739 7.9605 7.9605 8.1385 8.1385 8.3883 8.3883 8.8206 8.8206 9.8373 9.8373 10.4959 10.4959 10.9019 10.9019 11.6610 11.6610 k = 0.3667-0.0000-0.0000 ( 3050 PWs) bands (ev): -3.4003 -3.4003 -1.9351 -1.9351 0.1690 0.1690 0.6517 0.6517 3.9341 3.9341 4.8808 4.8808 5.2733 5.2733 5.3166 5.3166 5.8131 5.8131 5.9224 5.9224 6.0587 6.0587 6.7508 6.7508 6.8802 6.8802 7.2767 7.2767 7.4954 7.4954 7.5782 7.5782 7.9682 7.9682 8.1211 8.1211 8.3175 8.3175 8.8358 8.8358 9.8115 9.8115 10.5243 10.5243 10.9170 10.9170 11.5949 11.5949 k = 0.3778-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.3342 -3.3342 -1.9747 -1.9747 0.2030 0.2030 0.6499 0.6499 3.9248 3.9248 4.9558 4.9558 5.1780 5.1780 5.3109 5.3109 5.8296 5.8296 5.8867 5.8867 6.0519 6.0519 6.7226 6.7226 6.8922 6.8922 7.2680 7.2680 7.5131 7.5131 7.5834 7.5834 7.9752 7.9752 8.1035 8.1035 8.2509 8.2509 8.8319 8.8319 9.8099 9.8099 10.5536 10.5536 10.9310 10.9310 11.5309 11.5309 k = 0.3889-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.2672 -3.2672 -2.0173 -2.0173 0.2365 0.2365 0.6465 0.6465 3.9221 3.9221 5.0167 5.0167 5.0975 5.0975 5.3085 5.3085 5.8121 5.8121 5.8861 5.8861 6.0445 6.0445 6.6899 6.6899 6.9066 6.9066 7.2582 7.2582 7.5326 7.5326 7.5898 7.5898 7.9802 7.9802 8.0851 8.0851 8.1905 8.1905 8.8100 8.8100 9.8312 9.8312 10.5838 10.5838 10.9421 10.9421 11.4688 11.4688 k = 0.4000-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.1996 -3.1996 -2.0630 -2.0630 0.2694 0.2694 0.6416 0.6416 3.9259 3.9259 4.9678 4.9678 5.1285 5.1285 5.3086 5.3086 5.7720 5.7720 5.9092 5.9092 6.0357 6.0357 6.6528 6.6528 6.9230 6.9230 7.2476 7.2476 7.5535 7.5535 7.5975 7.5975 7.9812 7.9812 8.0633 8.0633 8.1421 8.1421 8.7738 8.7738 9.8720 9.8720 10.6150 10.6150 10.9483 10.9483 11.4088 11.4088 k = 0.4111-0.0000-0.0000 ( 3042 PWs) bands (ev): -3.1313 -3.1313 -2.1117 -2.1117 0.3016 0.3016 0.6350 0.6350 3.9364 3.9364 4.8778 4.8778 5.2027 5.2027 5.3115 5.3115 5.7292 5.7292 5.9363 5.9363 6.0253 6.0253 6.6116 6.6116 6.9410 6.9410 7.2361 7.2361 7.5751 7.5751 7.6072 7.6072 7.9753 7.9753 8.0306 8.0306 8.1168 8.1168 8.7273 8.7273 9.9278 9.9278 10.6472 10.6472 10.9472 10.9472 11.3506 11.3506 k = 0.4222-0.0000-0.0000 ( 3032 PWs) bands (ev): -3.0627 -3.0627 -2.1631 -2.1631 0.3330 0.3330 0.6267 0.6267 3.9534 3.9534 4.7871 4.7871 5.2794 5.2794 5.3170 5.3170 5.6871 5.6871 5.9629 5.9629 6.0143 6.0143 6.5668 6.5668 6.9605 6.9605 7.2236 7.2236 7.5958 7.5958 7.6205 7.6205 7.9598 7.9598 7.9904 7.9904 8.1141 8.1141 8.6747 8.6747 9.9946 9.9946 10.6805 10.6805 10.9369 10.9369 11.2944 11.2944 k = 0.4333-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.9938 -2.9938 -2.2172 -2.2172 0.3634 0.3634 0.6167 0.6167 3.9770 3.9770 4.6986 4.6986 5.3249 5.3249 5.3558 5.3558 5.6468 5.6468 5.9766 5.9766 6.0140 6.0140 6.5190 6.5190 6.9809 6.9809 7.2101 7.2101 7.6134 7.6134 7.6393 7.6393 7.9297 7.9297 7.9575 7.9575 8.1247 8.1247 8.6189 8.6189 10.0692 10.0692 10.7150 10.7150 10.9155 10.9155 11.2400 11.2400 k = 0.4444-0.0000-0.0000 ( 3026 PWs) bands (ev): -2.9248 -2.9248 -2.2736 -2.2736 0.3927 0.3927 0.6049 0.6049 4.0070 4.0070 4.6132 4.6132 5.3361 5.3361 5.4289 5.4289 5.6101 5.6101 5.9630 5.9630 6.0381 6.0381 6.4691 6.4691 7.0019 7.0019 7.1955 7.1955 7.6288 7.6288 7.6627 7.6627 7.8903 7.8903 7.9323 7.9323 8.1432 8.1432 8.5622 8.5622 10.1489 10.1489 10.7508 10.7508 10.8823 10.8823 11.1874 11.1874 k = 0.4556-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.8559 -2.8559 -2.3323 -2.3323 0.4208 0.4208 0.5912 0.5912 4.0432 4.0432 4.5313 4.5313 5.3498 5.3498 5.4917 5.4917 5.5837 5.5837 5.9385 5.9385 6.0698 6.0698 6.4181 6.4181 7.0233 7.0233 7.1799 7.1799 7.6442 7.6442 7.6883 7.6883 7.8516 7.8516 7.9076 7.9076 8.1673 8.1673 8.5063 8.5063 10.2319 10.2319 10.7878 10.7878 10.8374 10.8374 11.1366 11.1366 k = 0.4667-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.7872 -2.7872 -2.3931 -2.3931 0.4476 0.4476 0.5758 0.5758 4.0854 4.0854 4.4533 4.4533 5.3663 5.3663 5.5088 5.5088 5.6025 5.6025 5.9074 5.9074 6.1044 6.1044 6.3670 6.3670 7.0449 7.0449 7.1632 7.1632 7.6609 7.6609 7.7147 7.7147 7.8160 7.8160 7.8820 7.8820 8.1961 8.1961 8.4522 8.4522 10.3166 10.3166 10.7817 10.7817 10.8262 10.8262 11.0874 11.0874 k = 0.4778-0.0000-0.0000 ( 3040 PWs) bands (ev): -2.7191 -2.7191 -2.4556 -2.4556 0.4729 0.4729 0.5586 0.5586 4.1335 4.1335 4.3797 4.3797 5.3855 5.3855 5.4861 5.4861 5.6598 5.6598 5.8699 5.8699 6.1413 6.1413 6.3169 6.3169 7.0661 7.0661 7.1455 7.1455 7.6794 7.6794 7.7399 7.7399 7.7856 7.7856 7.8557 7.8557 8.2292 8.2292 8.4007 8.4007 10.4016 10.4016 10.7169 10.7169 10.8660 10.8660 11.0400 11.0400 k = 0.4889-0.0000-0.0000 ( 3044 PWs) bands (ev): -2.6516 -2.6516 -2.5197 -2.5197 0.4968 0.4968 0.5397 0.5397 4.1872 4.1872 4.3106 4.3106 5.4073 5.4073 5.4585 5.4585 5.7197 5.7197 5.8260 5.8260 6.1809 6.1809 6.2689 6.2689 7.0869 7.0869 7.1268 7.1268 7.7001 7.7001 7.7451 7.7451 7.7786 7.7786 7.8290 7.8290 8.2664 8.2664 8.3523 8.3523 10.4855 10.4855 10.6448 10.6448 10.9072 10.9072 10.9941 10.9941 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5851 -2.5851 -2.5851 -2.5851 0.5190 0.5190 0.5191 0.5191 4.2463 4.2463 4.2464 4.2464 5.4318 5.4318 5.4319 5.4319 5.7757 5.7757 5.7757 5.7757 6.2234 6.2234 6.2235 6.2235 7.1072 7.1072 7.1073 7.1073 7.7228 7.7228 7.7230 7.7230 7.8022 7.8022 7.8024 7.8024 8.3075 8.3075 8.3075 8.3075 10.5671 10.5671 10.5672 10.5672 10.9499 10.9499 10.9499 10.9499 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5851 -2.5851 -2.5851 -2.5851 0.5190 0.5190 0.5191 0.5191 4.2463 4.2463 4.2464 4.2464 5.4318 5.4318 5.4319 5.4319 5.7757 5.7757 5.7757 5.7757 6.2234 6.2234 6.2235 6.2235 7.1072 7.1072 7.1073 7.1073 7.7228 7.7228 7.7230 7.7230 7.8022 7.8022 7.8024 7.8024 8.3075 8.3075 8.3075 8.3075 10.5671 10.5671 10.5672 10.5672 10.9499 10.9499 10.9499 10.9499 k = 0.5000 0.0110-0.0000 ( 3048 PWs) bands (ev): -2.5843 -2.5843 -2.5843 -2.5843 0.5175 0.5175 0.5179 0.5179 4.2463 4.2463 4.2483 4.2483 5.4203 5.4203 5.4244 5.4244 5.7824 5.7824 5.7840 5.7840 6.2228 6.2228 6.2236 6.2236 7.1083 7.1083 7.1097 7.1097 7.7221 7.7221 7.7232 7.7232 7.8014 7.8014 7.8034 7.8034 8.3053 8.3053 8.3080 8.3080 10.5601 10.5601 10.5654 10.5654 10.9434 10.9434 10.9473 10.9473 k = 0.5000 0.0219-0.0000 ( 3040 PWs) bands (ev): -2.5819 -2.5819 -2.5818 -2.5818 0.5133 0.5133 0.5141 0.5141 4.2483 4.2483 4.2522 4.2522 5.3927 5.3927 5.4003 5.4003 5.8020 5.8020 5.8045 5.8045 6.2220 6.2220 6.2235 6.2235 7.1128 7.1128 7.1155 7.1155 7.7211 7.7211 7.7233 7.7233 7.8009 7.8009 7.8049 7.8049 8.3014 8.3014 8.3068 8.3068 10.5446 10.5446 10.5551 10.5551 10.9287 10.9287 10.9361 10.9361 k = 0.5000 0.0329-0.0000 ( 3030 PWs) bands (ev): -2.5779 -2.5779 -2.5777 -2.5777 0.5065 0.5065 0.5077 0.5077 4.2521 4.2521 4.2580 4.2580 5.3544 5.3544 5.3647 5.3647 5.8291 5.8291 5.8320 5.8320 6.2211 6.2211 6.2231 6.2231 7.1207 7.1207 7.1246 7.1246 7.7198 7.7198 7.7232 7.7232 7.8007 7.8007 7.8066 7.8066 8.2958 8.2958 8.3039 8.3039 10.5213 10.5213 10.5367 10.5367 10.9076 10.9076 10.9181 10.9181 k = 0.5000 0.0438-0.0000 ( 3032 PWs) bands (ev): -2.5722 -2.5722 -2.5721 -2.5721 0.4970 0.4970 0.4986 0.4986 4.2579 4.2579 4.2656 4.2656 5.3100 5.3100 5.3223 5.3223 5.8587 5.8587 5.8617 5.8617 6.2202 6.2202 6.2225 6.2225 7.1316 7.1316 7.1366 7.1366 7.7180 7.7180 7.7226 7.7226 7.8007 7.8007 7.8084 7.8084 8.2884 8.2884 8.2991 8.2991 10.4910 10.4910 10.5109 10.5109 10.8827 10.8827 10.8956 10.8956 k = 0.5000 0.0548-0.0000 ( 3024 PWs) bands (ev): -2.5650 -2.5650 -2.5648 -2.5648 0.4849 0.4849 0.4869 0.4869 4.2654 4.2654 4.2751 4.2751 5.2626 5.2626 5.2765 5.2765 5.8872 5.8872 5.8904 5.8904 6.2200 6.2200 6.2221 6.2221 7.1453 7.1453 7.1513 7.1513 7.7158 7.7158 7.7217 7.7217 7.8009 7.8009 7.8104 7.8104 8.2790 8.2790 8.2922 8.2922 10.4548 10.4548 10.4787 10.4787 10.8565 10.8565 10.8714 10.8714 k = 0.5000 0.0657-0.0000 ( 3028 PWs) bands (ev): -2.5562 -2.5562 -2.5560 -2.5560 0.4702 0.4702 0.4726 0.4726 4.2747 4.2747 4.2863 4.2863 5.2144 5.2144 5.2296 5.2296 5.9123 5.9123 5.9160 5.9160 6.2205 6.2205 6.2220 6.2220 7.1613 7.1613 7.1680 7.1680 7.7130 7.7130 7.7203 7.7203 7.8010 7.8010 7.8122 7.8122 8.2674 8.2674 8.2830 8.2830 10.4140 10.4140 10.4412 10.4412 10.8319 10.8319 10.8483 10.8483 k = 0.5000 0.0767-0.0000 ( 3032 PWs) bands (ev): -2.5459 -2.5459 -2.5456 -2.5456 0.4530 0.4530 0.4558 0.4558 4.2856 4.2856 4.2991 4.2991 5.1668 5.1668 5.1832 5.1832 5.9323 5.9323 5.9371 5.9371 6.2224 6.2224 6.2226 6.2226 7.1791 7.1791 7.1863 7.1863 7.7094 7.7094 7.7184 7.7184 7.8011 7.8011 7.8138 7.8138 8.2533 8.2533 8.2713 8.2713 10.3698 10.3698 10.3998 10.3998 10.8113 10.8113 10.8289 10.8289 k = 0.5000 0.0876-0.0000 ( 3024 PWs) bands (ev): -2.5341 -2.5341 -2.5338 -2.5338 0.4334 0.4334 0.4366 0.4366 4.2981 4.2981 4.3135 4.3135 5.1210 5.1210 5.1382 5.1382 5.9463 5.9463 5.9528 5.9528 6.2244 6.2244 6.2260 6.2260 7.1982 7.1982 7.2056 7.2056 7.7051 7.7051 7.7160 7.7160 7.8011 7.8011 7.8150 7.8150 8.2366 8.2366 8.2566 8.2566 10.3234 10.3234 10.3556 10.3556 10.7970 10.7970 10.8153 10.8153 k = 0.5000 0.0986-0.0000 ( 3024 PWs) bands (ev): -2.5209 -2.5209 -2.5205 -2.5205 0.4114 0.4114 0.4149 0.4149 4.3121 4.3121 4.3292 4.3292 5.0777 5.0777 5.0956 5.0956 5.9538 5.9538 5.9625 5.9625 6.2273 6.2273 6.2313 6.2313 7.2180 7.2180 7.2252 7.2252 7.6997 7.6997 7.7127 7.7127 7.8007 7.8007 7.8154 7.8154 8.2170 8.2170 8.2388 8.2388 10.2760 10.2760 10.3097 10.3097 10.7909 10.7909 10.8097 10.8097 k = 0.5000 0.1095-0.0000 ( 3026 PWs) bands (ev): -2.5063 -2.5063 -2.5058 -2.5058 0.3872 0.3872 0.3910 0.3910 4.3272 4.3272 4.3460 4.3460 5.0376 5.0376 5.0560 5.0560 5.9549 5.9549 5.9662 5.9662 6.2316 6.2316 6.2382 6.2382 7.2380 7.2380 7.2446 7.2446 7.6930 7.6930 7.7085 7.7085 7.7998 7.7998 7.8149 7.8149 8.1943 8.1943 8.2175 8.2175 10.2286 10.2286 10.2633 10.2633 10.7947 10.7947 10.8138 10.8138 k = 0.5000 0.1205-0.0000 ( 3030 PWs) bands (ev): -2.4903 -2.4903 -2.4898 -2.4898 0.3607 0.3607 0.3649 0.3649 4.3435 4.3435 4.3638 4.3638 5.0014 5.0014 5.0200 5.0200 5.9503 5.9503 5.9642 5.9642 6.2370 6.2370 6.2462 6.2462 7.2576 7.2576 7.2633 7.2633 7.6847 7.6847 7.7032 7.7032 7.7984 7.7984 7.8132 7.8132 8.1685 8.1685 8.1927 8.1927 10.1819 10.1819 10.2171 10.2171 10.8098 10.8098 10.8288 10.8288 k = 0.5000 0.1314-0.0000 ( 3042 PWs) bands (ev): -2.4731 -2.4731 -2.4726 -2.4726 0.3323 0.3323 0.3368 0.3368 4.3606 4.3606 4.3822 4.3822 4.9695 4.9695 4.9880 4.9880 5.9405 5.9405 5.9571 5.9571 6.2431 6.2431 6.2549 6.2549 7.2765 7.2765 7.2808 7.2808 7.6744 7.6744 7.6962 7.6962 7.7963 7.7963 7.8100 7.8100 8.1397 8.1397 8.1646 8.1646 10.1365 10.1365 10.1719 10.1719 10.8372 10.8372 10.8560 10.8560 k = 0.5000 0.1424-0.0000 ( 3046 PWs) bands (ev): -2.4547 -2.4547 -2.4541 -2.4541 0.3020 0.3020 0.3067 0.3067 4.3784 4.3784 4.4010 4.4010 4.9423 4.9423 4.9603 4.9603 5.9264 5.9264 5.9456 5.9456 6.2497 6.2497 6.2639 6.2639 7.2943 7.2943 7.2967 7.2967 7.6615 7.6615 7.6872 7.6872 7.7936 7.7936 7.8053 7.8053 8.1083 8.1083 8.1335 8.1335 10.0931 10.0931 10.1283 10.1283 10.8777 10.8777 10.8959 10.8959 k = 0.5000 0.1533-0.0000 ( 3046 PWs) bands (ev): -2.4352 -2.4352 -2.4345 -2.4345 0.2700 0.2700 0.2750 0.2750 4.3966 4.3966 4.4198 4.4198 4.9203 4.9203 4.9373 4.9373 5.9087 5.9087 5.9303 5.9303 6.2565 6.2565 6.2728 6.2728 7.3108 7.3108 7.3109 7.3109 7.6454 7.6454 7.6755 7.6755 7.7902 7.7902 7.7989 7.7989 8.0753 8.0753 8.1003 8.1003 10.0518 10.0518 10.0866 10.0866 10.9315 10.9315 10.9489 10.9489 k = 0.5000 0.1643-0.0000 ( 3042 PWs) bands (ev): -2.4146 -2.4146 -2.4139 -2.4139 0.2365 0.2365 0.2418 0.2418 4.4149 4.4149 4.4382 4.4382 4.9038 4.9038 4.9192 4.9192 5.8881 5.8881 5.9120 5.9120 6.2633 6.2633 6.2816 6.2816 7.3231 7.3231 7.3259 7.3259 7.6254 7.6254 7.6599 7.6599 7.7861 7.7861 7.7908 7.7908 8.0420 8.0420 8.0661 8.0661 10.0129 10.0129 10.0473 10.0473 10.9985 10.9985 11.0150 11.0150 k = 0.5000 0.1753-0.0000 ( 3030 PWs) bands (ev): -2.3932 -2.3932 -2.3925 -2.3925 0.2017 0.2017 0.2073 0.2073 4.4332 4.4332 4.4560 4.4560 4.8929 4.8929 4.9061 4.9061 5.8651 5.8651 5.8913 5.8913 6.2699 6.2699 6.2900 6.2900 7.3331 7.3331 7.3395 7.3395 7.6005 7.6005 7.6392 7.6392 7.7812 7.7812 7.7814 7.7814 8.0098 8.0098 8.0323 8.0323 9.9766 9.9766 10.0103 10.0103 11.0786 11.0786 11.0940 11.0940 k = 0.5000 0.1862-0.0000 ( 3026 PWs) bands (ev): -2.3711 -2.3711 -2.3702 -2.3702 0.1659 0.1659 0.1717 0.1717 4.4512 4.4512 4.4729 4.4729 4.8876 4.8876 4.8978 4.8978 5.8401 5.8401 5.8687 5.8687 6.2763 6.2763 6.2981 6.2981 7.3406 7.3406 7.3515 7.3515 7.5701 7.5701 7.6118 7.6118 7.7706 7.7706 7.7760 7.7760 7.9804 7.9804 8.0005 8.0005 9.9428 9.9428 9.9759 9.9759 11.1710 11.1710 11.1853 11.1853 k = 0.5000 0.1972-0.0000 ( 3020 PWs) bands (ev): -2.3483 -2.3483 -2.3473 -2.3473 0.1293 0.1293 0.1353 0.1353 4.4690 4.4690 4.4888 4.4888 4.8877 4.8877 4.8942 4.8942 5.8138 5.8138 5.8447 5.8447 6.2825 6.2825 6.3060 6.3060 7.3450 7.3450 7.3617 7.3617 7.5344 7.5344 7.5769 7.5769 7.7597 7.7597 7.7703 7.7703 7.9550 7.9550 7.9719 7.9719 9.9116 9.9116 9.9440 9.9440 11.2749 11.2749 11.2881 11.2881 k = 0.5000 0.2081-0.0000 ( 3020 PWs) bands (ev): -2.3250 -2.3250 -2.3240 -2.3240 0.0922 0.0922 0.0985 0.0985 4.4864 4.4864 4.5037 4.5037 4.8927 4.8927 4.8949 4.8949 5.7866 5.7866 5.8200 5.8200 6.2886 6.2886 6.3138 6.3138 7.3445 7.3445 7.3699 7.3699 7.4949 7.4949 7.5345 7.5345 7.7491 7.7491 7.7643 7.7643 7.9339 7.9339 7.9473 7.9473 9.8829 9.8829 9.9147 9.9147 11.3896 11.3896 11.4018 11.4018 k = 0.5000 0.2191-0.0000 ( 3020 PWs) bands (ev): -2.3014 -2.3014 -2.3004 -2.3004 0.0549 0.0549 0.0614 0.0614 4.5035 4.5035 4.5180 4.5180 4.8992 4.8992 4.9018 4.9018 5.7591 5.7591 5.7952 5.7952 6.2946 6.2946 6.3216 6.3216 7.3349 7.3349 7.3748 7.3748 7.4564 7.4564 7.4867 7.4867 7.7391 7.7391 7.7582 7.7582 7.9170 7.9170 7.9269 7.9269 9.8567 9.8567 9.8878 9.8878 11.5139 11.5139 11.5252 11.5252 k = 0.5000 0.2300-0.0000 ( 3016 PWs) bands (ev): -2.2778 -2.2778 -2.2766 -2.2766 0.0178 0.0178 0.0244 0.0244 4.5207 4.5207 4.5319 4.5319 4.9063 4.9063 4.9139 4.9139 5.7319 5.7319 5.7709 5.7709 6.3008 6.3008 6.3295 6.3295 7.3088 7.3088 7.3709 7.3709 7.4275 7.4275 7.4407 7.4407 7.7299 7.7299 7.7523 7.7523 7.9036 7.9036 7.9103 7.9103 9.8329 9.8329 9.8634 9.8634 11.6471 11.6471 11.6575 11.6575 k = 0.5000 0.2410-0.0000 ( 3020 PWs) bands (ev): -2.2542 -2.2542 -2.2530 -2.2530 -0.0189 -0.0189 -0.0121 -0.0121 4.5380 4.5380 4.5458 4.5458 4.9153 4.9153 4.9280 4.9280 5.7055 5.7055 5.7479 5.7479 6.3072 6.3072 6.3378 6.3378 7.2634 7.2634 7.3393 7.3393 7.4124 7.4124 7.4168 7.4168 7.7214 7.7214 7.7466 7.7466 7.8930 7.8930 7.8971 7.8971 9.8113 9.8113 9.8412 9.8412 11.7879 11.7879 11.7977 11.7977 k = 0.5000 0.2519-0.0000 ( 3024 PWs) bands (ev): -2.2311 -2.2311 -2.2297 -2.2297 -0.0547 -0.0547 -0.0477 -0.0477 4.5558 4.5558 4.5600 4.5600 4.9250 4.9250 4.9427 4.9427 5.6808 5.6808 5.7270 5.7270 6.3141 6.3141 6.3466 6.3466 7.2054 7.2054 7.2831 7.2831 7.4058 7.4058 7.4136 7.4136 7.7136 7.7136 7.7412 7.7412 7.8845 7.8845 7.8866 7.8866 9.7920 9.7920 9.8213 9.8213 11.9355 11.9355 11.9448 11.9448 k = 0.5000 0.2629-0.0000 ( 3028 PWs) bands (ev): -2.2085 -2.2085 -2.2070 -2.2070 -0.0893 -0.0893 -0.0822 -0.0822 4.5742 4.5742 4.5748 4.5748 4.9343 4.9343 4.9567 4.9567 5.6583 5.6583 5.7090 5.7090 6.3216 6.3216 6.3561 6.3561 7.1409 7.1409 7.2193 7.2193 7.4027 7.4027 7.4154 7.4154 7.7066 7.7066 7.7363 7.7363 7.8777 7.8777 7.8783 7.8783 9.7747 9.7747 9.8035 9.8035 12.0887 12.0887 12.0979 12.0979 k = 0.5000 0.2738-0.0000 ( 3026 PWs) bands (ev): -2.1867 -2.1867 -2.1852 -2.1852 -0.1223 -0.1223 -0.1150 -0.1150 4.5903 4.5903 4.5935 4.5935 4.9420 4.9420 4.9689 4.9689 5.6387 5.6387 5.6945 5.6945 6.3300 6.3300 6.3666 6.3666 7.0735 7.0735 7.1534 7.1534 7.4011 7.4011 7.4181 7.4181 7.7003 7.7003 7.7320 7.7320 7.8717 7.8717 7.8722 7.8722 9.7594 9.7594 9.7877 9.7877 12.2466 12.2466 12.2558 12.2558 k = 0.5000 0.2848-0.0000 ( 3030 PWs) bands (ev): -2.1662 -2.1662 -2.1646 -2.1646 -0.1533 -0.1533 -0.1459 -0.1459 4.6066 4.6066 4.6135 4.6135 4.9470 4.9470 4.9782 4.9782 5.6226 5.6226 5.6841 5.6841 6.3397 6.3397 6.3784 6.3784 7.0051 7.0051 7.0873 7.0873 7.4000 7.4000 7.4207 7.4207 7.6946 7.6946 7.7281 7.7281 7.8665 7.8665 7.8677 7.8677 9.7459 9.7459 9.7739 9.7739 12.4080 12.4080 12.4176 12.4176 k = 0.5000 0.2957-0.0000 ( 3048 PWs) bands (ev): -2.1470 -2.1470 -2.1453 -2.1453 -0.1819 -0.1819 -0.1744 -0.1744 4.6235 4.6235 4.6345 4.6345 4.9487 4.9487 4.9840 4.9840 5.6102 5.6102 5.6780 5.6780 6.3508 6.3508 6.3914 6.3914 6.9371 6.9371 7.0224 7.0224 7.3990 7.3990 7.4230 7.4230 7.6894 7.6894 7.7246 7.7246 7.8622 7.8622 7.8641 7.8641 9.7343 9.7343 9.7619 9.7619 12.5716 12.5716 12.5821 12.5821 k = 0.5000 0.3067-0.0000 ( 3056 PWs) bands (ev): -2.1297 -2.1297 -2.1279 -2.1279 -0.2077 -0.2077 -0.2000 -0.2000 4.6407 4.6407 4.6560 4.6560 4.9465 4.9465 4.9859 4.9859 5.6017 5.6017 5.6761 5.6761 6.3639 6.3639 6.4061 6.4061 6.8705 6.8705 6.9596 6.9596 7.3983 7.3983 7.4250 7.4250 7.6851 7.6851 7.7218 7.7218 7.8589 7.8589 7.8611 7.8611 9.7243 9.7243 9.7517 9.7517 12.7360 12.7360 12.7481 12.7481 k = 0.5000 0.3176-0.0000 ( 3056 PWs) bands (ev): -2.1143 -2.1143 -2.1125 -2.1125 -0.2303 -0.2303 -0.2225 -0.2225 4.6578 4.6578 4.6780 4.6780 4.9406 4.9406 4.9843 4.9843 5.5966 5.5966 5.6776 5.6776 6.3794 6.3794 6.4226 6.4226 6.8065 6.8065 6.9002 6.9002 7.3976 7.3976 7.4267 7.4267 7.6814 7.6814 7.7194 7.7194 7.8563 7.8563 7.8588 7.8588 9.7161 9.7161 9.7431 9.7431 12.8992 12.8992 12.9138 12.9138 k = 0.5000 0.3286-0.0000 ( 3060 PWs) bands (ev): -2.1013 -2.1013 -2.0994 -2.0994 -0.2493 -0.2493 -0.2415 -0.2415 4.6741 4.6741 4.6997 4.6997 4.9313 4.9313 4.9799 4.9799 5.5943 5.5943 5.6816 5.6816 6.3977 6.3977 6.4406 6.4406 6.7461 6.7461 6.8452 6.8452 7.3970 7.3970 7.4280 7.4280 7.6783 7.6783 7.7174 7.7174 7.8543 7.8543 7.8571 7.8571 9.7094 9.7094 9.7362 9.7362 13.0586 13.0586 13.0771 13.0771 k = 0.5000 0.3396-0.0000 ( 3072 PWs) bands (ev): -2.0910 -2.0910 -2.0890 -2.0890 -0.2645 -0.2645 -0.2566 -0.2566 4.6887 4.6887 4.7202 4.7202 4.9198 4.9198 4.9739 4.9739 5.5938 5.5938 5.6867 5.6867 6.4187 6.4187 6.4595 6.4595 6.6905 6.6905 6.7964 6.7964 7.3966 7.3966 7.4290 7.4290 7.6759 7.6759 7.7159 7.7159 7.8528 7.8528 7.8557 7.8557 9.7042 9.7042 9.7309 9.7309 13.2098 13.2098 13.2345 13.2345 k = 0.5000 0.3505-0.0000 ( 3068 PWs) bands (ev): -2.0833 -2.0833 -2.0813 -2.0813 -0.2756 -0.2756 -0.2676 -0.2676 4.7005 4.7005 4.7382 4.7382 4.9081 4.9081 4.9679 4.9679 5.5943 5.5943 5.6916 5.6916 6.4421 6.4421 6.4777 6.4777 6.6415 6.6415 6.7562 6.7562 7.3962 7.3962 7.4298 7.4298 7.6743 7.6743 7.7149 7.7149 7.8518 7.8518 7.8548 7.8548 9.7006 9.7006 9.7271 9.7271 13.3446 13.3446 13.3792 13.3792 k = 0.5000 0.3615-0.0000 ( 3072 PWs) bands (ev): -2.0787 -2.0787 -2.0767 -2.0767 -0.2823 -0.2823 -0.2743 -0.2743 4.7083 4.7083 4.7511 4.7511 4.8988 4.8988 4.9634 4.9634 5.5950 5.5950 5.6951 5.6951 6.4643 6.4643 6.4920 6.4920 6.6033 6.6033 6.7285 6.7285 7.3960 7.3960 7.4301 7.4301 7.6732 7.6732 7.7143 7.7143 7.8512 7.8512 7.8542 7.8542 9.6984 9.6984 9.7249 9.7249 13.4465 13.4465 13.4950 13.4950 k = 0.5000 0.3724-0.0000 ( 3068 PWs) bands (ev): -2.0772 -2.0772 -2.0751 -2.0751 -0.2845 -0.2845 -0.2765 -0.2765 4.7110 4.7110 4.7560 4.7560 4.8951 4.8951 4.9617 4.9617 5.5953 5.5953 5.6964 5.6964 6.4753 6.4753 6.4976 6.4976 6.5870 6.5870 6.7183 6.7183 7.3959 7.3959 7.4302 7.4302 7.6729 7.6729 7.7141 7.7141 7.8510 7.8510 7.8541 7.8541 9.6977 9.6977 9.7241 9.7241 13.4869 13.4869 13.5443 13.5443 k = 0.5000 0.3724-0.0000 ( 3068 PWs) bands (ev): -2.0772 -2.0772 -2.0751 -2.0751 -0.2845 -0.2845 -0.2765 -0.2765 4.7110 4.7110 4.7560 4.7560 4.8951 4.8951 4.9617 4.9617 5.5953 5.5953 5.6964 5.6964 6.4753 6.4753 6.4976 6.4976 6.5870 6.5870 6.7183 6.7183 7.3959 7.3959 7.4302 7.4302 7.6729 7.6729 7.7141 7.7141 7.8510 7.8510 7.8541 7.8541 9.6977 9.6977 9.7241 9.7241 13.4869 13.4869 13.5443 13.5443 k = 0.4889 0.3724-0.0000 ( 3064 PWs) bands (ev): -2.0791 -2.0791 -2.0771 -2.0771 -0.2844 -0.2844 -0.2764 -0.2764 4.7042 4.7042 4.7506 4.7506 4.9042 4.9042 4.9692 4.9692 5.5934 5.5934 5.6947 5.6947 6.4657 6.4657 6.4760 6.4760 6.6128 6.6128 6.7315 6.7315 7.3962 7.3962 7.4305 7.4305 7.6738 7.6738 7.7146 7.7146 7.8533 7.8533 7.8558 7.8558 9.6983 9.6983 9.7248 9.7248 13.4797 13.4797 13.5373 13.5373 k = 0.4778 0.3724-0.0000 ( 3072 PWs) bands (ev): -2.0849 -2.0849 -2.0829 -2.0829 -0.2841 -0.2841 -0.2760 -0.2760 4.6865 4.6865 4.7363 4.7363 4.9283 4.9283 4.9899 4.9899 5.5877 5.5877 5.6897 5.6897 6.4387 6.4387 6.4422 6.4422 6.6624 6.6624 6.7656 6.7656 7.3971 7.3971 7.4310 7.4310 7.6764 7.6764 7.7161 7.7161 7.8601 7.8601 7.8611 7.8611 9.7002 9.7002 9.7266 9.7266 13.4592 13.4592 13.5172 13.5172 k = 0.4667 0.3724-0.0000 ( 3060 PWs) bands (ev): -2.0945 -2.0945 -2.0925 -2.0925 -0.2835 -0.2835 -0.2755 -0.2755 4.6632 4.6632 4.7165 4.7165 4.9623 4.9623 5.0200 5.0200 5.5787 5.5787 5.6818 5.6818 6.4026 6.4026 6.4138 6.4138 6.7185 6.7185 6.8114 6.8114 7.3986 7.3986 7.4320 7.4320 7.6808 7.6808 7.7187 7.7187 7.8703 7.8703 7.8720 7.8720 9.7034 9.7034 9.7298 9.7298 13.4278 13.4278 13.4863 13.4863 k = 0.4556 0.3724-0.0000 ( 3052 PWs) bands (ev): -2.1077 -2.1077 -2.1057 -2.1057 -0.2829 -0.2829 -0.2749 -0.2749 4.6375 4.6375 4.6938 4.6938 5.0025 5.0025 5.0567 5.0567 5.5670 5.5670 5.6714 5.6714 6.3709 6.3709 6.3857 6.3857 6.7768 6.7768 6.8625 6.8625 7.4007 7.4007 7.4332 7.4332 7.6870 7.6870 7.7222 7.7222 7.8840 7.8840 7.8894 7.8894 9.7080 9.7080 9.7342 9.7342 13.3882 13.3882 13.4471 13.4471 k = 0.4444 0.3724-0.0000 ( 3048 PWs) bands (ev): -2.1244 -2.1244 -2.1225 -2.1225 -0.2823 -0.2823 -0.2744 -0.2744 4.6106 4.6106 4.6694 4.6694 5.0473 5.0473 5.0981 5.0981 5.5536 5.5536 5.6591 5.6591 6.3447 6.3447 6.3609 6.3609 6.8353 6.8353 6.9150 6.9150 7.4033 7.4033 7.4346 7.4346 7.6945 7.6945 7.7264 7.7264 7.9029 7.9029 7.9132 7.9132 9.7138 9.7138 9.7399 9.7399 13.3429 13.3429 13.4023 13.4023 k = 0.4333 0.3724-0.0000 ( 3046 PWs) bands (ev): -2.1443 -2.1443 -2.1424 -2.1424 -0.2820 -0.2820 -0.2740 -0.2740 4.5832 4.5832 4.6437 4.6437 5.0955 5.0955 5.1433 5.1433 5.5397 5.5397 5.6459 5.6459 6.3240 6.3240 6.3406 6.3406 6.8924 6.8924 6.9664 6.9664 7.4066 7.4066 7.4362 7.4362 7.7035 7.7035 7.7315 7.7315 7.9279 7.9279 7.9441 7.9441 9.7208 9.7208 9.7469 9.7469 13.2939 13.2939 13.3535 13.3535 k = 0.4222 0.3724-0.0000 ( 3046 PWs) bands (ev): -2.1673 -2.1673 -2.1654 -2.1654 -0.2819 -0.2819 -0.2740 -0.2740 4.5552 4.5552 4.6168 4.6168 5.1466 5.1466 5.1915 5.1915 5.5265 5.5265 5.6329 5.6329 6.3088 6.3088 6.3251 6.3251 6.9468 6.9468 7.0148 7.0148 7.4104 7.4104 7.4378 7.4378 7.7135 7.7135 7.7372 7.7372 7.9600 7.9600 7.9829 7.9829 9.7292 9.7292 9.7551 9.7551 13.2425 13.2425 13.3024 13.3024 k = 0.4111 0.3724-0.0000 ( 3042 PWs) bands (ev): -2.1930 -2.1930 -2.1912 -2.1912 -0.2823 -0.2823 -0.2744 -0.2744 4.5264 4.5264 4.5884 4.5884 5.2001 5.2001 5.2424 5.2424 5.5154 5.5154 5.6212 5.6212 6.2984 6.2984 6.3145 6.3145 6.9974 6.9974 7.0588 7.0588 7.4148 7.4148 7.4394 7.4394 7.7244 7.7244 7.7438 7.7438 8.0000 8.0000 8.0302 8.0302 9.7388 9.7388 9.7646 9.7646 13.1898 13.1898 13.2501 13.2501 k = 0.4000 0.3724-0.0000 ( 3046 PWs) bands (ev): -2.2211 -2.2211 -2.2193 -2.2193 -0.2833 -0.2833 -0.2755 -0.2755 4.4965 4.4965 4.5580 4.5580 5.2556 5.2556 5.2956 5.2956 5.5076 5.5076 5.6121 5.6121 6.2925 6.2925 6.3083 6.3083 7.0433 7.0433 7.0976 7.0976 7.4195 7.4195 7.4410 7.4410 7.7362 7.7362 7.7512 7.7512 8.0486 8.0486 8.0864 8.0864 9.7497 9.7497 9.7754 9.7754 13.1368 13.1368 13.1974 13.1974 k = 0.3889 0.3724-0.0000 ( 3052 PWs) bands (ev): -2.2514 -2.2514 -2.2497 -2.2497 -0.2851 -0.2851 -0.2774 -0.2774 4.4653 4.4653 4.5255 4.5255 5.3130 5.3130 5.3509 5.3509 5.5042 5.5042 5.6067 5.6067 6.2905 6.2905 6.3061 6.3061 7.0841 7.0841 7.1308 7.1308 7.4246 7.4246 7.4425 7.4425 7.7486 7.7486 7.7594 7.7594 8.1060 8.1060 8.1514 8.1514 9.7618 9.7618 9.7874 9.7874 13.0841 13.0841 13.1450 13.1450 k = 0.3778 0.3724-0.0000 ( 3044 PWs) bands (ev): -2.2835 -2.2835 -2.2819 -2.2819 -0.2878 -0.2878 -0.2801 -0.2801 4.4323 4.4323 4.4906 4.4906 5.3715 5.3715 5.4079 5.4079 5.5062 5.5062 5.6064 5.6064 6.2919 6.2919 6.3075 6.3075 7.1196 7.1196 7.1585 7.1585 7.4301 7.4301 7.4441 7.4441 7.7617 7.7617 7.7687 7.7687 8.1721 8.1721 8.2249 8.2249 9.7752 9.7752 9.8008 9.8008 13.0323 13.0323 13.0935 13.0935 k = 0.3667 0.3724-0.0000 ( 3040 PWs) bands (ev): -2.3172 -2.3172 -2.3156 -2.3156 -0.2914 -0.2914 -0.2838 -0.2838 4.3976 4.3976 4.4532 4.4532 5.4301 5.4301 5.4644 5.4644 5.5161 5.5161 5.6124 5.6124 6.2962 6.2962 6.3120 6.3120 7.1499 7.1499 7.1810 7.1810 7.4356 7.4356 7.4457 7.4457 7.7756 7.7756 7.7790 7.7790 8.2464 8.2464 8.3063 8.3063 9.7897 9.7897 9.8153 9.8153 12.9818 12.9818 13.0435 13.0435 k = 0.3556 0.3724-0.0000 ( 3044 PWs) bands (ev): -2.3522 -2.3522 -2.3507 -2.3507 -0.2960 -0.2960 -0.2885 -0.2885 4.3609 4.3609 4.4135 4.4135 5.4867 5.4867 5.5073 5.5073 5.5469 5.5469 5.6273 5.6273 6.3029 6.3029 6.3191 6.3191 7.1752 7.1752 7.1988 7.1988 7.4413 7.4413 7.4474 7.4474 7.7904 7.7904 7.7905 7.7905 8.3282 8.3282 8.3947 8.3947 9.8053 9.8053 9.8311 9.8311 12.9331 12.9331 12.9954 12.9954 k = 0.3444 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.3883 -2.3883 -2.3869 -2.3869 -0.3016 -0.3016 -0.2943 -0.2943 4.3224 4.3224 4.3716 4.3716 5.5303 5.5303 5.5370 5.5370 5.6048 5.6048 5.6552 5.6552 6.3117 6.3117 6.3284 6.3284 7.1960 7.1960 7.2128 7.2128 7.4471 7.4471 7.4494 7.4494 7.8034 7.8034 7.8063 7.8063 8.4167 8.4167 8.4893 8.4893 9.8221 9.8221 9.8481 9.8481 12.8867 12.8867 12.9496 12.9496 k = 0.3333 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.4251 -2.4251 -2.4238 -2.4238 -0.3084 -0.3084 -0.3011 -0.3011 4.2822 4.2822 4.3279 4.3279 5.5522 5.5522 5.5770 5.5770 5.6707 5.6707 5.7000 5.7000 6.3220 6.3220 6.3394 6.3394 7.2127 7.2127 7.2233 7.2233 7.4518 7.4518 7.4529 7.4529 7.8176 7.8176 7.8233 7.8233 8.5109 8.5109 8.5894 8.5894 9.8398 9.8398 9.8662 9.8662 12.8428 12.8428 12.9064 12.9064 k = 0.3222 0.3724-0.0000 ( 3026 PWs) bands (ev): -2.4625 -2.4625 -2.4612 -2.4612 -0.3161 -0.3161 -0.3090 -0.3090 4.2406 4.2406 4.2827 4.2827 5.5768 5.5768 5.6086 5.6086 5.7404 5.7404 5.7593 5.7593 6.3336 6.3336 6.3519 6.3519 7.2257 7.2257 7.2309 7.2309 7.4547 7.4547 7.4588 7.4588 7.8333 7.8333 7.8417 7.8417 8.6101 8.6101 8.6940 8.6940 9.8585 9.8585 9.8855 9.8855 12.8019 12.8019 12.8663 12.8663 k = 0.3111 0.3724-0.0000 ( 3026 PWs) bands (ev): -2.5003 -2.5003 -2.4990 -2.4990 -0.3249 -0.3249 -0.3180 -0.3180 4.1978 4.1978 4.2364 4.2364 5.6041 5.6041 5.6369 5.6369 5.8131 5.8131 5.8276 5.8276 6.3462 6.3462 6.3655 6.3655 7.2353 7.2353 7.2361 7.2361 7.4583 7.4583 7.4648 7.4648 7.8507 7.8507 7.8615 7.8615 8.7133 8.7133 8.8025 8.8025 9.8782 9.8782 9.9060 9.9060 12.7642 12.7642 12.8295 12.8295 k = 0.3000 0.3724-0.0000 ( 3026 PWs) bands (ev): -2.5381 -2.5381 -2.5369 -2.5369 -0.3346 -0.3346 -0.3279 -0.3279 4.1543 4.1543 4.1895 4.1895 5.6336 5.6336 5.6648 5.6648 5.8886 5.8886 5.9012 5.9012 6.3595 6.3595 6.3799 6.3799 7.2392 7.2392 7.2420 7.2420 7.4625 7.4625 7.4710 7.4710 7.8699 7.8699 7.8829 7.8829 8.8198 8.8198 8.9141 8.9141 9.8988 9.8988 9.9276 9.9276 12.7300 12.7300 12.7963 12.7963 k = 0.2889 0.3724-0.0000 ( 3022 PWs) bands (ev): -2.5759 -2.5759 -2.5748 -2.5748 -0.3452 -0.3452 -0.3387 -0.3387 4.1102 4.1102 4.1423 4.1423 5.6648 5.6648 5.6932 5.6932 5.9668 5.9668 5.9785 5.9785 6.3732 6.3732 6.3950 6.3950 7.2405 7.2405 7.2461 7.2461 7.4674 7.4674 7.4775 7.4775 7.8911 7.8911 7.9061 7.9061 8.9289 8.9289 9.0281 9.0281 9.9204 9.9204 9.9506 9.9506 12.6995 12.6995 12.7669 12.7669 k = 0.2778 0.3724-0.0000 ( 3034 PWs) bands (ev): -2.6134 -2.6134 -2.6123 -2.6123 -0.3567 -0.3567 -0.3503 -0.3503 4.0660 4.0660 4.0951 4.0951 5.6971 5.6971 5.7225 5.7225 6.0474 6.0474 6.0583 6.0583 6.3871 6.3871 6.4104 6.4104 7.2401 7.2401 7.2477 7.2477 7.4729 7.4729 7.4843 7.4843 7.9144 7.9144 7.9312 7.9312 9.0395 9.0395 9.1436 9.1436 9.9433 9.9433 9.9752 9.9752 12.6730 12.6730 12.7414 12.7414 k = 0.2667 0.3724-0.0000 ( 3038 PWs) bands (ev): -2.6505 -2.6505 -2.6495 -2.6495 -0.3688 -0.3688 -0.3626 -0.3626 4.0219 4.0219 4.0483 4.0483 5.7301 5.7301 5.7525 5.7525 6.1301 6.1301 6.1398 6.1398 6.4011 6.4011 6.4263 6.4263 7.2385 7.2385 7.2475 7.2475 7.4791 7.4791 7.4915 7.4915 7.9402 7.9402 7.9585 7.9585 9.1507 9.1507 9.2596 9.2596 9.9681 9.9681 10.0020 10.0020 12.6506 12.6506 12.7202 12.7202 k = 0.2556 0.3724-0.0000 ( 3042 PWs) bands (ev): -2.6870 -2.6870 -2.6860 -2.6860 -0.3814 -0.3814 -0.3755 -0.3755 3.9782 3.9782 4.0021 4.0021 5.7634 5.7634 5.7830 5.7830 6.2142 6.2142 6.2216 6.2216 6.4151 6.4151 6.4429 6.4429 7.2356 7.2356 7.2455 7.2455 7.4861 7.4861 7.4991 7.4991 7.9688 7.9688 7.9881 7.9881 9.2611 9.2611 9.3746 9.3746 9.9956 9.9956 10.0315 10.0315 12.6323 12.6323 12.7031 12.7031 k = 0.2444 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.7228 -2.7228 -2.7219 -2.7219 -0.3946 -0.3946 -0.3888 -0.3888 3.9352 3.9352 3.9567 3.9567 5.7968 5.7968 5.8138 5.8138 6.2987 6.2987 6.3020 6.3020 6.4295 6.4295 6.4614 6.4614 7.2318 7.2318 7.2421 7.2421 7.4936 7.4936 7.5073 7.5073 8.0006 8.0006 8.0206 8.0206 9.3690 9.3690 9.4864 9.4864 10.0277 10.0277 10.0654 10.0654 12.6183 12.6183 12.6902 12.6902 k = 0.2333 0.3724-0.0000 ( 3032 PWs) bands (ev): -2.7577 -2.7577 -2.7569 -2.7569 -0.4081 -0.4081 -0.4026 -0.4026 3.8930 3.8930 3.9125 3.9125 5.8299 5.8299 5.8447 5.8447 6.3758 6.3758 6.3804 6.3804 6.4466 6.4466 6.4857 6.4857 7.2270 7.2270 7.2375 7.2375 7.5015 7.5015 7.5157 7.5157 8.0358 8.0358 8.0560 8.0560 9.4720 9.4720 9.5914 9.5914 10.0673 10.0673 10.1053 10.1053 12.6084 12.6084 12.6814 12.6814 k = 0.2222 0.3724-0.0000 ( 3028 PWs) bands (ev): -2.7917 -2.7917 -2.7909 -2.7909 -0.4219 -0.4219 -0.4166 -0.4166 3.8518 3.8518 3.8695 3.8695 5.8627 5.8627 5.8755 5.8755 6.4312 6.4312 6.4372 6.4372 6.4877 6.4877 6.5269 6.5269 7.2215 7.2215 7.2318 7.2318 7.5100 7.5100 7.5245 7.5245 8.0751 8.0751 8.0948 8.0948 9.5671 9.5671 9.6849 9.6849 10.1191 10.1191 10.1539 10.1539 12.6025 12.6025 12.6766 12.6766 k = 0.2111 0.3724-0.0000 ( 3024 PWs) bands (ev): -2.8246 -2.8246 -2.8239 -2.8239 -0.4358 -0.4358 -0.4307 -0.4307 3.8120 3.8120 3.8279 3.8279 5.8949 5.8949 5.9060 5.9060 6.4566 6.4566 6.4619 6.4619 6.5641 6.5641 6.5903 6.5903 7.2153 7.2153 7.2254 7.2254 7.5188 7.5188 7.5338 7.5338 8.1189 8.1189 8.1375 8.1375 9.6510 9.6510 9.7617 9.7617 10.1876 10.1876 10.2143 10.2143 12.6004 12.6004 12.6754 12.6754 k = 0.2000 0.3724-0.0000 ( 3020 PWs) bands (ev): -2.8563 -2.8563 -2.8557 -2.8557 -0.4497 -0.4497 -0.4448 -0.4448 3.7735 3.7735 3.7878 3.7878 5.9264 5.9264 5.9360 5.9360 6.4690 6.4690 6.4800 6.4800 6.6444 6.6444 6.6626 6.6626 7.2086 7.2086 7.2183 7.2183 7.5281 7.5281 7.5433 7.5433 8.1677 8.1677 8.1845 8.1845 9.7210 9.7210 9.8196 9.8196 10.2750 10.2750 10.2886 10.2886 12.6017 12.6017 12.6774 12.6774 k = 0.1889 0.3724-0.0000 ( 3020 PWs) bands (ev): -2.8868 -2.8868 -2.8862 -2.8862 -0.4635 -0.4635 -0.4589 -0.4589 3.7365 3.7365 3.7494 3.7494 5.9572 5.9572 5.9655 5.9655 6.4796 6.4796 6.4932 6.4932 6.7224 6.7224 6.7351 6.7351 7.2015 7.2015 7.2107 7.2107 7.5377 7.5377 7.5532 7.5532 8.2218 8.2218 8.2362 8.2362 9.7765 9.7765 9.8605 9.8605 10.3773 10.3773 10.3787 10.3787 12.6060 12.6060 12.6823 12.6823 k = 0.1778 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.9159 -2.9159 -2.9153 -2.9153 -0.4771 -0.4771 -0.4727 -0.4727 3.7012 3.7012 3.7128 3.7128 5.9871 5.9871 5.9943 5.9943 6.4890 6.4890 6.5040 6.5040 6.7964 6.7964 6.8045 6.8045 7.1942 7.1942 7.2029 7.2029 7.5475 7.5475 7.5631 7.5631 8.2818 8.2818 8.2932 8.2932 9.8189 9.8189 9.8889 9.8889 10.4788 10.4788 10.4943 10.4943 12.6128 12.6128 12.6893 12.6893 k = 0.1667 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.9436 -2.9436 -2.9430 -2.9430 -0.4903 -0.4903 -0.4863 -0.4863 3.6676 3.6676 3.6781 3.6781 6.0160 6.0160 6.0223 6.0223 6.4974 6.4974 6.5130 6.5130 6.8651 6.8651 6.8692 6.8692 7.1869 7.1869 7.1951 7.1951 7.5577 7.5577 7.5731 7.5731 8.3477 8.3477 8.3556 8.3556 9.8507 9.8507 9.9086 9.9086 10.5902 10.5902 10.6176 10.6176 12.6215 12.6215 12.6978 12.6978 k = 0.1556 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.9698 -2.9698 -2.9693 -2.9693 -0.5032 -0.5032 -0.4994 -0.4994 3.6358 3.6358 3.6453 3.6453 6.0440 6.0440 6.0494 6.0494 6.5051 6.5051 6.5208 6.5208 6.9277 6.9277 6.9281 6.9281 7.1800 7.1800 7.1876 7.1876 7.5679 7.5679 7.5830 7.5830 8.4195 8.4195 8.4235 8.4235 9.8745 9.8745 9.9225 9.9225 10.7087 10.7087 10.7455 10.7455 12.6315 12.6315 12.7070 12.7070 k = 0.1444 0.3724-0.0000 ( 3030 PWs) bands (ev): -2.9944 -2.9944 -2.9940 -2.9940 -0.5156 -0.5156 -0.5120 -0.5120 3.6060 3.6060 3.6145 3.6145 6.0708 6.0708 6.0756 6.0756 6.5120 6.5120 6.5275 6.5275 6.9803 6.9803 6.9830 6.9830 7.1740 7.1740 7.1810 7.1810 7.5782 7.5782 7.5927 7.5927 8.4966 8.4966 8.4967 8.4967 9.8925 9.8925 9.9323 9.9323 10.8318 10.8318 10.8759 10.8759 12.6420 12.6420 12.7161 12.7161 k = 0.1333 0.3724-0.0000 ( 3022 PWs) bands (ev): -3.0174 -3.0174 -3.0170 -3.0170 -0.5273 -0.5273 -0.5240 -0.5240 3.5782 3.5782 3.5857 3.5857 6.0965 6.0965 6.1006 6.1006 6.5182 6.5182 6.5333 6.5333 7.0248 7.0248 7.0300 7.0300 7.1698 7.1698 7.1764 7.1764 7.5884 7.5884 7.6021 7.6021 8.5745 8.5745 8.5786 8.5786 9.9063 9.9063 9.9393 9.9393 10.9578 10.9578 11.0073 11.0073 12.6524 12.6524 12.7241 12.7241 k = 0.1222 0.3724-0.0000 ( 3014 PWs) bands (ev): -3.0388 -3.0388 -3.0384 -3.0384 -0.5384 -0.5384 -0.5354 -0.5354 3.5524 3.5524 3.5591 3.5591 6.1209 6.1209 6.1244 6.1244 6.5237 6.5237 6.5382 6.5382 7.0599 7.0599 7.0666 7.0666 7.1692 7.1692 7.1758 7.1758 7.5984 7.5984 7.6111 7.6111 8.6562 8.6562 8.6641 8.6641 9.9173 9.9173 9.9445 9.9445 11.0850 11.0850 11.1384 11.1384 12.6619 12.6619 12.7299 12.7299 k = 0.1111 0.3724-0.0000 ( 3018 PWs) bands (ev): -3.0584 -3.0584 -3.0581 -3.0581 -0.5488 -0.5488 -0.5461 -0.5461 3.5287 3.5287 3.5346 3.5346 6.1438 6.1438 6.1469 6.1469 6.5286 6.5286 6.5423 6.5423 7.0831 7.0831 7.0901 7.0901 7.1752 7.1752 7.1824 7.1824 7.6079 7.6079 7.6195 7.6195 8.7405 8.7405 8.7518 8.7518 9.9263 9.9263 9.9485 9.9485 11.2120 11.2120 11.2681 11.2681 12.6697 12.6697 12.7325 12.7325 k = 0.1000 0.3724-0.0000 ( 3016 PWs) bands (ev): -3.0763 -3.0763 -3.0760 -3.0760 -0.5584 -0.5584 -0.5559 -0.5559 3.5072 3.5072 3.5124 3.5124 6.1652 6.1652 6.1679 6.1679 6.5329 6.5329 6.5456 6.5456 7.0938 7.0938 7.1000 7.1000 7.1889 7.1889 7.1970 7.1970 7.6169 7.6169 7.6272 7.6272 8.8258 8.8258 8.8399 8.8399 9.9342 9.9342 9.9520 9.9520 11.3378 11.3378 11.3951 11.3951 12.6751 12.6751 12.7309 12.7309 k = 0.0889 0.3724-0.0000 ( 3016 PWs) bands (ev): -3.0924 -3.0924 -3.0921 -3.0921 -0.5671 -0.5671 -0.5649 -0.5649 3.4879 3.4879 3.4924 3.4924 6.1849 6.1849 6.1872 6.1872 6.5367 6.5367 6.5483 6.5483 7.0959 7.0959 7.1012 7.1012 7.2068 7.2068 7.2156 7.2156 7.6253 7.6253 7.6342 7.6342 8.9103 8.9103 8.9266 8.9266 9.9415 9.9415 9.9554 9.9554 11.4612 11.4612 11.5184 11.5184 12.6775 12.6775 12.7238 12.7238 k = 0.0778 0.3724-0.0000 ( 3012 PWs) bands (ev): -3.1066 -3.1066 -3.1064 -3.1064 -0.5749 -0.5749 -0.5729 -0.5729 3.4708 3.4708 3.4746 3.4746 6.2029 6.2029 6.2048 6.2048 6.5401 6.5401 6.5504 6.5504 7.0939 7.0939 7.0983 7.0983 7.2252 7.2252 7.2339 7.2339 7.6328 7.6328 7.6404 7.6404 8.9920 8.9920 9.0096 9.0096 9.9487 9.9487 9.9592 9.9592 11.5809 11.5809 11.6367 11.6367 12.6761 12.6761 12.7105 12.7105 k = 0.0667 0.3724-0.0000 ( 3010 PWs) bands (ev): -3.1191 -3.1191 -3.1189 -3.1189 -0.5817 -0.5817 -0.5800 -0.5800 3.4559 3.4559 3.4591 3.4591 6.2188 6.2188 6.2204 6.2204 6.5429 6.5429 6.5520 6.5520 7.0903 7.0903 7.0940 7.0940 7.2419 7.2419 7.2502 7.2502 7.6395 7.6395 7.6458 7.6458 9.0687 9.0687 9.0867 9.0867 9.9561 9.9561 9.9637 9.9637 11.6959 11.6959 11.7484 11.7484 12.6702 12.6702 12.6904 12.6904 k = 0.0556 0.3724-0.0000 ( 3016 PWs) bands (ev): -3.1296 -3.1296 -3.1295 -3.1295 -0.5875 -0.5875 -0.5861 -0.5861 3.4433 3.4433 3.4460 3.4460 6.2326 6.2326 6.2338 6.2338 6.5454 6.5454 6.5531 6.5531 7.0863 7.0863 7.0893 7.0893 7.2564 7.2564 7.2638 7.2638 7.6452 7.6452 7.6503 7.6503 9.1383 9.1383 9.1557 9.1557 9.9637 9.9637 9.9689 9.9689 11.8046 11.8046 11.8520 11.8520 12.6589 12.6589 12.6638 12.6638 k = 0.0444 0.3724-0.0000 ( 3016 PWs) bands (ev): -3.1383 -3.1383 -3.1381 -3.1381 -0.5923 -0.5923 -0.5912 -0.5912 3.4331 3.4331 3.4352 3.4352 6.2441 6.2441 6.2451 6.2451 6.5475 6.5475 6.5538 6.5538 7.0826 7.0826 7.0850 7.0850 7.2683 7.2683 7.2745 7.2745 7.6500 7.6500 7.6539 7.6539 9.1987 9.1987 9.2143 9.2143 9.9714 9.9714 9.9748 9.9748 11.9052 11.9052 11.9454 11.9454 12.6322 12.6322 12.6410 12.6410 k = 0.0333 0.3724-0.0000 ( 3018 PWs) bands (ev): -3.1450 -3.1450 -3.1449 -3.1449 -0.5960 -0.5960 -0.5952 -0.5952 3.4251 3.4251 3.4267 3.4267 6.2533 6.2533 6.2540 6.2540 6.5493 6.5493 6.5540 6.5540 7.0794 7.0794 7.0812 7.0812 7.2777 7.2777 7.2825 7.2825 7.6538 7.6538 7.6567 7.6567 9.2481 9.2481 9.2610 9.2610 9.9787 9.9787 9.9807 9.9807 11.9951 11.9951 12.0261 12.0261 12.5984 12.5984 12.6163 12.6163 k = 0.0222 0.3724-0.0000 ( 3018 PWs) bands (ev): -3.1498 -3.1498 -3.1498 -3.1498 -0.5986 -0.5986 -0.5981 -0.5981 3.4195 3.4195 3.4205 3.4205 6.2599 6.2599 6.2604 6.2604 6.5508 6.5508 6.5540 6.5540 7.0771 7.0771 7.0783 7.0783 7.2846 7.2846 7.2878 7.2878 7.6566 7.6566 7.6585 7.6585 9.2851 9.2851 9.2943 9.2943 9.9849 9.9849 9.9859 9.9859 12.0698 12.0698 12.0904 12.0904 12.5675 12.5675 12.5868 12.5868 k = 0.0111 0.3724-0.0000 ( 3030 PWs) bands (ev): -3.1527 -3.1527 -3.1527 -3.1527 -0.6002 -0.6002 -0.5999 -0.5999 3.4162 3.4162 3.4167 3.4167 6.2639 6.2639 6.2642 6.2642 6.5520 6.5520 6.5536 6.5536 7.0758 7.0758 7.0764 7.0764 7.2889 7.2889 7.2906 7.2906 7.6585 7.6585 7.6595 7.6595 9.3087 9.3087 9.3135 9.3135 9.9891 9.9891 9.9895 9.9895 12.1226 12.1226 12.1325 12.1325 12.5464 12.5464 12.5589 12.5589 k = 0.0000 0.3724-0.0000 ( 3030 PWs) bands (ev): -3.1537 -3.1537 -3.1537 -3.1537 -0.6006 -0.6006 -0.6006 -0.6006 3.4153 3.4153 3.4153 3.4153 6.2653 6.2653 6.2655 6.2655 6.5528 6.5528 6.5530 6.5530 7.0754 7.0754 7.0756 7.0756 7.2909 7.2909 7.2911 7.2911 7.6594 7.6594 7.6595 7.6595 9.3182 9.3182 9.3182 9.3182 9.9907 9.9907 9.9907 9.9907 12.1448 12.1448 12.1448 12.1448 12.5429 12.5429 12.5429 12.5429 k = 0.0000 0.3724-0.0000 ( 3030 PWs) bands (ev): -3.1537 -3.1537 -3.1537 -3.1537 -0.6006 -0.6006 -0.6006 -0.6006 3.4153 3.4153 3.4153 3.4153 6.2653 6.2653 6.2655 6.2655 6.5528 6.5528 6.5530 6.5530 7.0754 7.0754 7.0756 7.0756 7.2909 7.2909 7.2911 7.2911 7.6594 7.6594 7.6595 7.6595 9.3182 9.3182 9.3182 9.3182 9.9907 9.9907 9.9907 9.9907 12.1448 12.1448 12.1448 12.1448 12.5429 12.5429 12.5429 12.5429 k = 0.0000 0.3615-0.0000 ( 3034 PWs) bands (ev): -3.2328 -3.2328 -3.0731 -3.0731 -0.6170 -0.6170 -0.5849 -0.5849 3.4140 3.4140 3.4220 3.4220 6.2617 6.2617 6.2698 6.2698 6.5358 6.5358 6.5693 6.5693 7.0356 7.0356 7.1106 7.1106 7.2817 7.2817 7.3003 7.3003 7.6543 7.6543 7.6641 7.6641 9.2115 9.2115 9.4225 9.4225 9.8840 9.8840 10.0988 10.0988 12.0968 12.0968 12.1910 12.1910 12.4530 12.4530 12.6306 12.6306 k = 0.0000 0.3505-0.0000 ( 3022 PWs) bands (ev): -3.3104 -3.3104 -2.9912 -2.9912 -0.6338 -0.6338 -0.5701 -0.5701 3.4184 3.4184 3.4340 3.4340 6.2589 6.2589 6.2751 6.2751 6.5184 6.5184 6.5847 6.5847 6.9907 6.9907 7.1413 7.1413 7.2727 7.2727 7.3097 7.3097 7.6489 7.6489 7.6682 7.6682 9.1044 9.1044 9.5222 9.5222 9.7791 9.7791 10.2083 10.2083 12.0475 12.0475 12.2332 12.2332 12.3638 12.3638 12.7141 12.7141 k = 0.0000 0.3396-0.0000 ( 3018 PWs) bands (ev): -3.3863 -3.3863 -2.9082 -2.9082 -0.6507 -0.6507 -0.5564 -0.5564 3.4284 3.4284 3.4510 3.4510 6.2568 6.2568 6.2811 6.2811 6.5007 6.5007 6.5979 6.5979 6.9407 6.9407 7.1679 7.1679 7.2639 7.2639 7.3192 7.3192 7.6430 7.6430 7.6718 7.6718 8.9989 8.9989 9.6137 9.6137 9.6770 9.6770 10.3189 10.3189 11.9972 11.9972 12.2404 12.2404 12.3066 12.3066 12.7897 12.7897 k = 0.0000 0.3286-0.0000 ( 3016 PWs) bands (ev): -3.4603 -3.4603 -2.8244 -2.8244 -0.6675 -0.6675 -0.5440 -0.5440 3.4443 3.4443 3.4728 3.4728 6.2555 6.2555 6.2877 6.2877 6.4831 6.4831 6.6070 6.6070 6.8870 6.8870 7.1910 7.1910 7.2553 7.2553 7.3286 7.3286 7.6368 7.6368 7.6749 7.6749 8.8969 8.8969 9.5726 9.5726 9.7001 9.7001 10.4304 10.4304 11.9462 11.9462 12.1597 12.1597 12.3347 12.3347 12.8492 12.8492 k = 0.0000 0.3176-0.0000 ( 3014 PWs) bands (ev): -3.5325 -3.5325 -2.7401 -2.7401 -0.6836 -0.6836 -0.5330 -0.5330 3.4660 3.4660 3.4992 3.4992 6.2550 6.2550 6.2950 6.2950 6.4655 6.4655 6.6071 6.6071 6.8338 6.8338 7.2112 7.2112 7.2471 7.2471 7.3379 7.3379 7.6302 7.6302 7.6773 7.6773 8.7998 8.7998 9.4732 9.4732 9.7719 9.7719 10.5426 10.5426 11.8945 11.8945 12.0656 12.0656 12.3741 12.3741 12.8860 12.8860 k = 0.0000 0.3067-0.0000 ( 3014 PWs) bands (ev): -3.6026 -3.6026 -2.6556 -2.6556 -0.6986 -0.6986 -0.5234 -0.5234 3.4936 3.4936 3.5299 3.5299 6.2553 6.2553 6.3029 6.3029 6.4480 6.4480 6.5882 6.5882 6.7907 6.7907 7.2283 7.2283 7.2394 7.2394 7.3471 7.3471 7.6235 7.6235 7.6791 7.6791 8.7090 8.7090 9.3753 9.3753 9.8305 9.8305 10.6549 10.6549 11.8418 11.8418 11.9703 11.9703 12.4136 12.4136 12.9114 12.9114 k = 0.0000 0.2957-0.0000 ( 3014 PWs) bands (ev): -3.6707 -3.6707 -2.5712 -2.5712 -0.7120 -0.7120 -0.5153 -0.5153 3.5271 3.5271 3.5647 3.5647 6.2564 6.2564 6.3113 6.3113 6.4307 6.4307 6.5391 6.5391 6.7686 6.7686 7.2311 7.2311 7.2439 7.2439 7.3562 7.3562 7.6165 7.6165 7.6803 7.6803 8.6254 8.6254 9.2792 9.2792 9.8737 9.8737 10.7667 10.7667 11.7864 11.7864 11.8776 11.8776 12.4518 12.4518 12.9380 12.9380 k = 0.0000 0.2848-0.0000 ( 3016 PWs) bands (ev): -3.7366 -3.7366 -2.4875 -2.4875 -0.7233 -0.7233 -0.5087 -0.5087 3.5664 3.5664 3.6034 3.6034 6.2581 6.2581 6.3202 6.3202 6.4134 6.4134 6.4620 6.4620 6.7658 6.7658 7.2242 7.2242 7.2564 7.2564 7.3650 7.3650 7.6094 7.6094 7.6808 7.6808 8.5496 8.5496 9.1850 9.1850 9.9000 9.9000 10.8770 10.8770 11.7216 11.7216 11.7957 11.7957 12.4886 12.4886 12.9705 12.9705 k = 0.0000 0.2738-0.0000 ( 3020 PWs) bands (ev): -3.8004 -3.8004 -2.4050 -2.4050 -0.7318 -0.7318 -0.5036 -0.5036 3.6113 3.6113 3.6456 3.6456 6.2596 6.2596 6.3294 6.3294 6.3643 6.3643 6.3990 6.3990 6.7731 6.7731 7.2175 7.2175 7.2672 7.2672 7.3735 7.3735 7.6023 7.6023 7.6808 7.6808 8.4817 8.4817 9.0927 9.0927 9.9085 9.9085 10.9836 10.9836 11.6388 11.6388 11.7356 11.7356 12.5236 12.5236 13.0101 13.0101 k = 0.0000 0.2629-0.0000 ( 3022 PWs) bands (ev): -3.8619 -3.8619 -2.3245 -2.3245 -0.7368 -0.7368 -0.4999 -0.4999 3.6615 3.6615 3.6914 3.6914 6.2411 6.2411 6.2767 6.2767 6.3389 6.3389 6.3825 6.3825 6.7855 6.7855 7.2114 7.2114 7.2762 7.2762 7.3819 7.3819 7.5951 7.5951 7.6802 7.6802 8.4216 8.4216 9.0025 9.0025 9.8989 9.8989 11.0828 11.0828 11.5448 11.5448 11.6948 11.6948 12.5567 12.5567 13.0556 13.0556 k = 0.0000 0.2519-0.0000 ( 3030 PWs) bands (ev): -3.9212 -3.9212 -2.2465 -2.2465 -0.7373 -0.7373 -0.4977 -0.4977 3.7162 3.7162 3.7410 3.7410 6.1296 6.1296 6.2722 6.2722 6.3472 6.3472 6.3685 6.3685 6.8004 6.8004 7.2059 7.2059 7.2835 7.2835 7.3899 7.3899 7.5878 7.5878 7.6791 7.6791 8.3689 8.3689 8.9144 8.9144 9.8715 9.8715 11.1662 11.1662 11.4485 11.4485 11.6728 11.6728 12.5878 12.5878 13.1043 13.1043 k = 0.0000 0.2410-0.0000 ( 3028 PWs) bands (ev): -3.9781 -3.9781 -2.1721 -2.1721 -0.7326 -0.7326 -0.4967 -0.4967 3.7733 3.7733 3.7960 3.7960 6.0021 6.0021 6.2765 6.2765 6.3459 6.3459 6.3652 6.3652 6.8167 6.8167 7.2010 7.2010 7.2892 7.2892 7.3978 7.3978 7.5807 7.5807 7.6776 7.6776 8.3231 8.3231 8.8284 8.8284 9.8271 9.8271 11.2161 11.2161 11.3594 11.3594 11.6783 11.6783 12.6169 12.6169 13.1519 13.1519 k = 0.0000 0.2300-0.0000 ( 3032 PWs) bands (ev): -4.0327 -4.0327 -2.1021 -2.1021 -0.7218 -0.7218 -0.4969 -0.4969 3.8299 3.8299 3.8588 3.8588 5.8675 5.8675 6.2819 6.2819 6.3337 6.3337 6.3736 6.3736 6.8338 6.8338 7.1969 7.1969 7.2934 7.2934 7.4053 7.4053 7.5737 7.5737 7.6758 7.6758 8.2831 8.2831 8.7446 8.7446 9.7671 9.7671 11.1939 11.1939 11.3071 11.3071 11.7204 11.7204 12.6438 12.6438 13.1935 13.1935 k = 0.0000 0.2191-0.0000 ( 3032 PWs) bands (ev): -4.0849 -4.0849 -2.0375 -2.0375 -0.7038 -0.7038 -0.4982 -0.4982 3.8857 3.8857 3.9292 3.9292 5.7277 5.7277 6.2879 6.2879 6.3207 6.3207 6.3840 6.3840 6.8517 6.8517 7.1936 7.1936 7.2961 7.2961 7.4126 7.4126 7.5668 7.5668 7.6737 7.6737 8.2484 8.2484 8.6630 8.6630 9.6931 9.6931 11.1095 11.1095 11.2853 11.2853 11.7960 11.7960 12.6687 12.6687 13.2262 13.2262 k = 0.0000 0.2081-0.0000 ( 3036 PWs) bands (ev): -4.1347 -4.1347 -1.9790 -1.9790 -0.6779 -0.6779 -0.5005 -0.5005 3.9414 3.9414 4.0057 4.0057 5.5841 5.5841 6.2930 6.2930 6.3095 6.3095 6.3949 6.3949 6.8700 6.8700 7.1911 7.1911 7.2973 7.2973 7.4195 7.4195 7.5601 7.5601 7.6714 7.6714 8.2179 8.2179 8.5838 8.5838 9.6067 9.6067 11.0110 11.0110 11.2581 11.2581 11.8930 11.8930 12.6916 12.6916 13.2507 13.2507 k = 0.0000 0.1972-0.0000 ( 3039 PWs) bands (ev): -4.1821 -4.1821 -1.9274 -1.9274 -0.6435 -0.6435 -0.5036 -0.5036 3.9973 3.9973 4.0872 4.0872 5.4378 5.4378 6.2902 6.2902 6.3075 6.3075 6.4060 6.4060 6.8888 6.8888 7.1895 7.1895 7.2970 7.2970 7.4260 7.4260 7.5535 7.5535 7.6690 7.6690 8.1908 8.1908 8.5070 8.5070 9.5099 9.5099 10.9096 10.9096 11.2240 11.2240 12.0019 12.0019 12.7127 12.7127 13.2692 13.2692 k = 0.0000 0.1862-0.0000 ( 3023 PWs) bands (ev): -4.2270 -4.2270 -1.8831 -1.8831 -0.6004 -0.6004 -0.5074 -0.5074 4.0533 4.0533 4.1734 4.1734 5.2900 5.2900 6.2803 6.2803 6.3140 6.3140 6.4172 6.4172 6.9080 6.9080 7.1891 7.1891 7.2951 7.2951 7.4321 7.4321 7.5474 7.5474 7.6667 7.6667 8.1662 8.1662 8.4331 8.4331 9.4044 9.4044 10.8080 10.8080 11.1864 11.1864 12.1171 12.1171 12.7320 12.7320 13.2827 13.2827 k = 0.0000 0.1753-0.0000 ( 3029 PWs) bands (ev): -4.2694 -4.2694 -1.8460 -1.8460 -0.5486 -0.5486 -0.5118 -0.5118 4.1086 4.1086 4.2638 4.2638 5.1419 5.1419 6.2699 6.2699 6.3222 6.3222 6.4283 6.4283 6.9275 6.9275 7.1897 7.1897 7.2912 7.2912 7.4377 7.4377 7.5416 7.5416 7.6642 7.6642 8.1430 8.1430 8.3624 8.3624 9.2921 9.2921 10.7071 10.7071 11.1474 11.1474 12.2358 12.2358 12.7497 12.7497 13.2894 13.2894 k = 0.0000 0.1643-0.0000 ( 3025 PWs) bands (ev): -4.3094 -4.3094 -1.8159 -1.8159 -0.5167 -0.5167 -0.4887 -0.4887 4.1626 4.1626 4.3579 4.3579 4.9949 4.9949 6.2603 6.2603 6.3310 6.3310 6.4392 6.4392 6.9476 6.9476 7.1915 7.1915 7.2856 7.2856 7.4426 7.4426 7.5363 7.5363 7.6619 7.6619 8.1198 8.1198 8.2958 8.2958 9.1746 9.1746 10.6076 10.6076 11.1083 11.1083 12.3561 12.3561 12.7657 12.7657 13.2879 13.2879 k = 0.0000 0.1533-0.0000 ( 3033 PWs) bands (ev): -4.3468 -4.3468 -1.7923 -1.7923 -0.5218 -0.5218 -0.4216 -0.4216 4.2138 4.2138 4.4553 4.4553 4.8509 4.8509 6.2517 6.2517 6.3400 6.3400 6.4499 6.4499 6.9679 6.9679 7.1945 7.1945 7.2776 7.2776 7.4467 7.4467 7.5316 7.5316 7.6596 7.6596 8.0947 8.0947 8.2349 8.2349 9.0538 9.0538 10.5101 10.5101 11.0699 11.0699 12.4768 12.4768 12.7804 12.7804 13.2815 13.2815 k = 0.0000 0.1424-0.0000 ( 3033 PWs) bands (ev): -4.3817 -4.3817 -1.7742 -1.7742 -0.5272 -0.5272 -0.3484 -0.3484 4.2592 4.2592 4.5557 4.5557 4.7133 4.7133 6.2443 6.2443 6.3493 6.3493 6.4603 6.4603 6.9887 6.9887 7.1988 7.1988 7.2670 7.2670 7.4499 7.4499 7.5277 7.5277 7.6573 7.6573 8.0644 8.0644 8.1826 8.1826 8.9313 8.9313 10.4154 10.4154 11.0328 11.0328 12.5967 12.5967 12.7939 12.7939 13.2730 13.2730 k = 0.0000 0.1314-0.0000 ( 3035 PWs) bands (ev): -4.4141 -4.4141 -1.7609 -1.7609 -0.5326 -0.5326 -0.2705 -0.2705 4.2904 4.2904 4.5907 4.5907 4.6587 4.6587 6.2385 6.2385 6.3585 6.3585 6.4703 6.4703 7.0099 7.0099 7.2043 7.2043 7.2532 7.2532 7.4521 7.4521 7.5247 7.5247 7.6551 7.6551 8.0256 8.0256 8.1419 8.1419 8.8090 8.8090 10.3239 10.3239 10.9974 10.9974 12.7142 12.7142 12.8071 12.8071 13.2634 13.2634 k = 0.0000 0.1205-0.0000 ( 3035 PWs) bands (ev): -4.4439 -4.4439 -1.7515 -1.7515 -0.5380 -0.5380 -0.1892 -0.1892 4.2804 4.2804 4.5113 4.5113 4.7632 4.7632 6.2344 6.2344 6.3676 6.3676 6.4799 6.4799 7.0313 7.0313 7.2099 7.2099 7.2369 7.2369 7.4530 7.4530 7.5229 7.5229 7.6529 7.6529 7.9791 7.9791 8.1119 8.1119 8.6887 8.6887 10.2363 10.2363 10.9640 10.9640 12.8055 12.8055 12.8428 12.8428 13.2536 13.2536 k = 0.0000 0.1095-0.0000 ( 3039 PWs) bands (ev): -4.4712 -4.4712 -1.7452 -1.7452 -0.5433 -0.5433 -0.1061 -0.1061 4.2038 4.2038 4.5005 4.5005 4.8687 4.8687 6.2323 6.2323 6.3765 6.3765 6.4888 6.4888 7.0528 7.0528 7.2043 7.2043 7.2284 7.2284 7.4527 7.4527 7.5222 7.5222 7.6505 7.6505 7.9286 7.9286 8.0890 8.0890 8.5724 8.5724 10.1532 10.1532 10.9328 10.9328 12.8217 12.8217 12.9489 12.9489 13.2442 13.2442 k = 0.0000 0.0986-0.0000 ( 3041 PWs) bands (ev): -4.4959 -4.4959 -1.7412 -1.7412 -0.5483 -0.5483 -0.0227 -0.0227 4.0946 4.0946 4.5251 4.5251 4.9744 4.9744 6.2329 6.2329 6.3850 6.3850 6.4973 6.4973 7.0741 7.0741 7.1778 7.1778 7.2363 7.2363 7.4514 7.4514 7.5226 7.5226 7.6477 7.6477 7.8776 7.8776 8.0695 8.0695 8.4621 8.4621 10.0755 10.0755 10.9040 10.9040 12.8308 12.8308 13.0560 13.0560 13.2362 13.2362 k = 0.0000 0.0876-0.0000 ( 3033 PWs) bands (ev): -4.5180 -4.5180 -1.7391 -1.7391 -0.5530 -0.5530 0.0595 0.0595 3.9804 3.9804 4.5584 4.5584 5.0790 5.0790 6.2368 6.2368 6.3931 6.3931 6.5050 6.5050 7.0941 7.0941 7.1422 7.1422 7.2488 7.2488 7.4494 7.4494 7.5240 7.5240 7.6440 7.6440 7.8285 7.8285 8.0521 8.0521 8.3599 8.3599 10.0037 10.0037 10.8778 10.8778 12.8381 12.8381 13.1538 13.1538 13.2335 13.2335 k = 0.0000 0.0767-0.0000 ( 3031 PWs) bands (ev): -4.5375 -4.5375 -1.7382 -1.7382 -0.5574 -0.5574 0.1386 0.1386 3.8703 3.8703 4.5922 4.5922 5.1808 5.1808 6.2448 6.2448 6.4005 6.4005 6.5121 6.5121 7.0895 7.0895 7.1213 7.1213 7.2637 7.2637 7.4470 7.4470 7.5259 7.5259 7.6384 7.6384 7.7831 7.7831 8.0358 8.0358 8.2679 8.2679 9.9384 9.9384 10.8543 10.8543 12.8444 12.8444 13.2028 13.2028 13.2737 13.2737 k = 0.0000 0.0657-0.0000 ( 3027 PWs) bands (ev): -4.5545 -4.5545 -1.7382 -1.7382 -0.5613 -0.5613 0.2130 0.2130 3.7681 3.7681 4.6238 4.6238 5.2780 5.2780 6.2580 6.2580 6.4072 6.4072 6.5185 6.5185 7.0370 7.0370 7.1379 7.1379 7.2807 7.2807 7.4446 7.4446 7.5283 7.5283 7.6288 7.6288 7.7439 7.7439 8.0205 8.0205 8.1877 8.1877 9.8804 9.8804 10.8338 10.8338 12.8496 12.8496 13.2029 13.2029 13.3514 13.3514 k = 0.0000 0.0548-0.0000 ( 3023 PWs) bands (ev): -4.5688 -4.5688 -1.7386 -1.7386 -0.5647 -0.5647 0.2807 0.2807 3.6765 3.6765 4.6519 4.6519 5.3679 5.3679 6.2780 6.2780 6.4131 6.4131 6.5239 6.5239 6.9730 6.9730 7.1554 7.1554 7.3000 7.3000 7.4423 7.4423 7.5308 7.5308 7.6121 7.6121 7.7144 7.7144 8.0063 8.0063 8.1205 8.1205 9.8302 9.8302 10.8162 10.8162 12.8539 12.8539 13.1984 13.1984 13.3591 13.3591 k = 0.0000 0.0438-0.0000 ( 3031 PWs) bands (ev): -4.5805 -4.5805 -1.7394 -1.7394 -0.5675 -0.5675 0.3398 0.3398 3.5977 3.5977 4.6755 4.6755 5.4475 5.4475 6.3063 6.3063 6.4180 6.4180 6.5283 6.5283 6.9010 6.9010 7.1709 7.1709 7.3212 7.3212 7.4403 7.4403 7.5331 7.5331 7.5868 7.5868 7.6965 7.6965 7.9935 7.9935 8.0666 8.0666 9.7883 9.7883 10.8017 10.8017 12.8574 12.8574 13.1940 13.1940 13.3602 13.3602 k = 0.0000 0.0329-0.0000 ( 3029 PWs) bands (ev): -4.5897 -4.5897 -1.7401 -1.7401 -0.5698 -0.5698 0.3883 0.3883 3.5339 3.5339 4.6944 4.6944 5.5134 5.5134 6.3439 6.3439 6.4219 6.4219 6.5319 6.5319 6.8241 6.8241 7.1837 7.1837 7.3442 7.3442 7.4387 7.4387 7.5344 7.5344 7.5569 7.5569 7.6872 7.6872 7.9827 7.9827 8.0259 8.0259 9.7552 9.7552 10.7903 10.7903 12.8600 12.8600 13.1904 13.1904 13.3609 13.3609 k = 0.0000 0.0219-0.0000 ( 3029 PWs) bands (ev): -4.5962 -4.5962 -1.7408 -1.7408 -0.5714 -0.5714 0.4245 0.4245 3.4867 3.4867 4.7081 4.7081 5.5626 5.5626 6.3898 6.3898 6.4248 6.4248 6.5344 6.5344 6.7469 6.7469 7.1933 7.1933 7.3679 7.3679 7.4377 7.4377 7.5215 7.5215 7.5400 7.5400 7.6828 7.6828 7.9741 7.9741 7.9978 7.9978 9.7313 9.7313 10.7821 10.7821 12.8619 12.8619 13.1877 13.1877 13.3614 13.3614 k = 0.0000 0.0110-0.0000 ( 3025 PWs) bands (ev): -4.6001 -4.6001 -1.7412 -1.7412 -0.5724 -0.5724 0.4469 0.4469 3.4578 3.4578 4.7165 4.7165 5.5929 5.5929 6.4256 6.4256 6.4386 6.4386 6.5360 6.5360 6.6791 6.6791 7.1993 7.1993 7.3895 7.3895 7.4372 7.4372 7.4957 7.4957 7.5399 7.5399 7.6808 7.6808 7.9683 7.9683 7.9816 7.9816 9.7170 9.7170 10.7772 10.7772 12.8630 12.8630 13.1861 13.1861 13.3616 13.3616 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6014 -4.6014 -1.7414 -1.7414 -0.5728 -0.5728 0.4545 0.4545 3.4480 3.4480 4.7192 4.7192 5.6031 5.6031 6.4266 6.4266 6.4636 6.4636 6.5364 6.5364 6.6470 6.6470 7.2013 7.2013 7.3998 7.3998 7.4372 7.4372 7.4835 7.4835 7.5402 7.5402 7.6802 7.6802 7.9660 7.9660 7.9766 7.9766 9.7121 9.7121 10.7756 10.7756 12.8633 12.8633 13.1855 13.1855 13.3617 13.3617 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6014 -4.6014 -1.7414 -1.7414 -0.5728 -0.5728 0.4545 0.4545 3.4480 3.4480 4.7192 4.7192 5.6031 5.6031 6.4266 6.4266 6.4636 6.4636 6.5364 6.5364 6.6470 6.6470 7.2013 7.2013 7.3998 7.3998 7.4372 7.4372 7.4835 7.4835 7.5402 7.5402 7.6802 7.6802 7.9660 7.9660 7.9766 7.9766 9.7121 9.7121 10.7756 10.7756 12.8633 12.8633 13.1855 13.1855 13.3617 13.3617 k = 0.0000 0.0000 0.0109 ( 3025 PWs) bands (ev): -4.6002 -4.6002 -1.7488 -1.7488 -0.5666 -0.5666 0.4547 0.4547 3.4494 3.4494 4.7210 4.7210 5.6025 5.6025 6.4266 6.4266 6.4619 6.4619 6.5363 6.5363 6.6350 6.6350 7.2033 7.2033 7.3990 7.3990 7.4273 7.4273 7.4887 7.4887 7.5448 7.5448 7.6851 7.6851 7.9673 7.9673 7.9864 7.9864 9.7139 9.7139 10.7717 10.7717 12.8651 12.8651 13.1674 13.1674 13.3624 13.3624 k = 0.0000 0.0000 0.0218 ( 3027 PWs) bands (ev): -4.5964 -4.5964 -1.7705 -1.7705 -0.5486 -0.5486 0.4554 0.4554 3.4536 3.4536 4.7261 4.7261 5.6004 5.6004 6.4264 6.4264 6.4572 6.4572 6.5361 6.5361 6.6007 6.6007 7.2093 7.2093 7.3961 7.3961 7.4098 7.4098 7.4890 7.4890 7.5637 7.5637 7.6969 7.6969 7.9679 7.9679 8.0183 8.0183 9.7190 9.7190 10.7600 10.7600 12.8699 12.8699 13.1185 13.1185 13.3602 13.3602 k = 0.0000 0.0000 0.0328 ( 3023 PWs) bands (ev): -4.5901 -4.5901 -1.8052 -1.8052 -0.5201 -0.5201 0.4566 0.4566 3.4606 3.4606 4.7348 4.7348 5.5968 5.5968 6.4259 6.4259 6.4494 6.4494 6.5342 6.5342 6.5500 6.5500 7.2187 7.2187 7.3853 7.3853 7.3989 7.3989 7.4812 7.4812 7.5939 7.5939 7.7118 7.7118 7.9680 7.9680 8.0704 8.0704 9.7277 9.7277 10.7408 10.7408 12.8759 12.8759 13.0489 13.0489 13.3492 13.3492 k = 0.0000 0.0000 0.0437 ( 3031 PWs) bands (ev): -4.5813 -4.5813 -1.8509 -1.8509 -0.4831 -0.4831 0.4582 0.4582 3.4701 3.4701 4.7470 4.7470 5.5913 5.5913 6.4235 6.4235 6.4373 6.4373 6.4847 6.4847 6.5368 6.5368 7.2299 7.2299 7.3688 7.3688 7.3950 7.3950 7.4719 7.4719 7.6266 7.6266 7.7287 7.7287 7.9680 7.9680 8.1389 8.1389 9.7399 9.7399 10.7144 10.7144 12.8727 12.8727 12.9747 12.9747 13.3271 13.3271 k = 0.0000 0.0000 0.0546 ( 3023 PWs) bands (ev): -4.5699 -4.5699 -1.9058 -1.9058 -0.4394 -0.4394 0.4602 0.4602 3.4820 3.4820 4.7631 4.7631 5.5836 5.5836 6.3896 6.3896 6.4247 6.4247 6.4444 6.4444 6.5362 6.5362 7.2407 7.2407 7.3545 7.3545 7.3923 7.3923 7.4635 7.4635 7.6560 7.6560 7.7502 7.7502 7.9679 7.9679 8.2192 8.2192 9.7558 9.7558 10.6813 10.6813 12.8178 12.8178 12.9425 12.9425 13.2939 13.2939 k = 0.0000 0.0000 0.0655 ( 3027 PWs) bands (ev): -4.5561 -4.5561 -1.9679 -1.9679 -0.3910 -0.3910 0.4627 0.4627 3.4962 3.4962 4.7829 4.7829 5.5730 5.5730 6.3138 6.3138 6.4166 6.4166 6.4354 6.4354 6.5357 6.5357 7.2470 7.2470 7.3461 7.3461 7.3908 7.3908 7.4562 7.4562 7.6780 7.6780 7.7795 7.7795 7.9678 7.9678 8.3072 8.3072 9.7753 9.7753 10.6419 10.6419 12.7159 12.7159 12.9503 12.9503 13.2511 13.2511 k = 0.0000 0.0000 0.0764 ( 3035 PWs) bands (ev): -4.5398 -4.5398 -2.0357 -2.0357 -0.3393 -0.3393 0.4654 0.4654 3.5124 3.5124 4.8068 4.8068 5.5586 5.5586 6.2323 6.2323 6.4058 6.4058 6.4333 6.4333 6.5351 6.5351 7.2454 7.2454 7.3449 7.3449 7.3922 7.3922 7.4497 7.4497 7.6924 7.6924 7.8167 7.8167 7.9679 7.9679 8.3991 8.3991 9.7985 9.7985 10.5969 10.5969 12.6005 12.6005 12.9665 12.9665 13.2012 13.2012 k = 0.0000 0.0000 0.0874 ( 3035 PWs) bands (ev): -4.5209 -4.5209 -2.1078 -2.1078 -0.2857 -0.2857 0.4685 0.4685 3.5303 3.5303 4.8348 4.8348 5.5390 5.5390 6.1518 6.1518 6.3947 6.3947 6.4330 6.4330 6.5344 6.5344 7.2367 7.2367 7.3469 7.3469 7.3997 7.3997 7.4439 7.4439 7.7019 7.7019 7.8597 7.8597 7.9683 7.9683 8.4917 8.4917 9.8255 9.8255 10.5468 10.5468 12.4804 12.4804 12.9818 12.9818 13.1491 13.1491 k = 0.0000 0.0000 0.0983 ( 3031 PWs) bands (ev): -4.4996 -4.4996 -2.1833 -2.1833 -0.2313 -0.2313 0.4719 0.4719 3.5499 3.5499 4.8668 4.8668 5.5128 5.5128 6.0759 6.0759 6.3843 6.3843 6.4332 6.4332 6.5335 6.5335 7.2243 7.2243 7.3467 7.3467 7.4147 7.4147 7.4383 7.4383 7.7086 7.7086 7.9059 7.9059 7.9696 7.9696 8.5823 8.5823 9.8564 9.8564 10.4922 10.4922 12.3599 12.3599 12.9834 12.9834 13.1070 13.1070 k = 0.0000 0.0000 0.1092 ( 3023 PWs) bands (ev): -4.4758 -4.4758 -2.2611 -2.2611 -0.1767 -0.1767 0.4754 0.4754 3.5707 3.5707 4.9029 4.9029 5.4783 5.4783 6.0077 6.0077 6.3755 6.3755 6.4338 6.4338 6.5325 6.5325 7.2108 7.2108 7.3434 7.3434 7.4317 7.4317 7.4362 7.4362 7.7138 7.7138 7.9498 7.9498 7.9761 7.9761 8.6681 8.6681 9.8911 9.8911 10.4337 10.4337 12.2423 12.2423 12.9507 12.9507 13.0964 13.0964 k = 0.0000 0.0000 0.1201 ( 3023 PWs) bands (ev): -4.4496 -4.4496 -2.3408 -2.3408 -0.1229 -0.1229 0.4790 0.4790 3.5928 3.5928 4.9427 4.9427 5.4341 5.4341 5.9493 5.9493 6.3687 6.3687 6.4345 6.4345 6.5311 6.5311 7.1974 7.1974 7.3380 7.3380 7.4263 7.4263 7.4587 7.4587 7.7183 7.7183 7.9649 7.9649 8.0137 8.0137 8.7465 8.7465 9.9298 9.9298 10.3716 10.3716 12.1305 12.1305 12.8905 12.8905 13.1111 13.1111 k = 0.0000 0.0000 0.1311 ( 3023 PWs) bands (ev): -4.4209 -4.4209 -2.4216 -2.4216 -0.0701 -0.0701 0.4827 0.4827 3.6159 3.6159 4.9858 4.9858 5.3802 5.3802 5.9017 5.9017 6.3645 6.3645 6.4355 6.4355 6.5295 6.5295 7.1850 7.1850 7.3312 7.3312 7.4198 7.4198 7.4829 7.4829 7.7222 7.7222 7.9679 7.9679 8.0659 8.0659 8.8150 8.8150 9.9723 9.9723 10.3066 10.3066 12.0274 12.0274 12.8201 12.8201 13.1348 13.1348 k = 0.0000 0.0000 0.1420 ( 3017 PWs) bands (ev): -4.3898 -4.3898 -2.5032 -2.5032 -0.0189 -0.0189 0.4863 0.4863 3.6401 3.6401 5.0308 5.0308 5.3186 5.3186 5.8644 5.8644 6.3635 6.3635 6.4366 6.4366 6.5277 6.5277 7.1738 7.1738 7.3234 7.3234 7.4126 7.4126 7.5070 7.5070 7.7259 7.7259 7.9702 7.9702 8.1210 8.1210 8.8710 8.8710 10.0188 10.0188 10.2391 10.2391 11.9355 11.9355 12.7464 12.7464 13.1616 13.1616 k = 0.0000 0.0000 0.1529 ( 3017 PWs) bands (ev): -4.3562 -4.3562 -2.5851 -2.5851 0.0305 0.0305 0.4899 0.4899 3.6652 3.6652 5.0738 5.0738 5.2547 5.2547 5.8357 5.8357 6.3662 6.3662 6.4379 6.4379 6.5255 6.5255 7.1640 7.1640 7.3149 7.3149 7.4044 7.4044 7.5303 7.5303 7.7294 7.7294 7.9729 7.9729 8.1779 8.1779 8.9120 8.9120 10.0689 10.0689 10.1697 10.1697 11.8569 11.8569 12.6726 12.6726 13.1893 13.1893 k = 0.0000 0.0000 0.1638 ( 3021 PWs) bands (ev): -4.3203 -4.3203 -2.6670 -2.6670 0.0777 0.0777 0.4931 0.4931 3.6913 3.6913 5.0957 5.0957 5.2092 5.2092 5.8137 5.8137 6.3731 6.3731 6.4393 6.4393 6.5231 6.5231 7.1558 7.1558 7.3058 7.3058 7.3949 7.3949 7.5526 7.5526 7.7327 7.7327 7.9763 7.9763 8.2364 8.2364 8.9363 8.9363 10.0953 10.0953 10.1260 10.1260 11.7926 11.7926 12.6012 12.6012 13.2172 13.2172 k = 0.0000 0.0000 0.1747 ( 3023 PWs) bands (ev): -4.2820 -4.2820 -2.7487 -2.7487 0.1226 0.1226 0.4960 0.4960 3.7186 3.7186 5.0555 5.0555 5.2242 5.2242 5.7966 5.7966 6.3850 6.3850 6.4410 6.4410 6.5203 6.5203 7.1492 7.1492 7.2962 7.2962 7.3839 7.3839 7.5735 7.5735 7.7359 7.7359 7.9808 7.9808 8.2964 8.2964 8.9426 8.9426 10.0241 10.0241 10.1820 10.1820 11.7425 11.7425 12.5348 12.5348 13.2447 13.2447 k = 0.0000 0.0000 0.1857 ( 3032 PWs) bands (ev): -4.2413 -4.2413 -2.8300 -2.8300 0.1650 0.1650 0.4985 0.4985 3.7472 3.7472 4.9838 4.9838 5.2697 5.2697 5.7829 5.7829 6.4024 6.4024 6.4427 6.4427 6.5172 6.5172 7.1441 7.1441 7.2861 7.2861 7.3713 7.3713 7.5928 7.5928 7.7389 7.7389 7.9865 7.9865 8.3578 8.3578 8.9308 8.9308 9.9500 9.9500 10.2432 10.2432 11.7046 11.7046 12.4766 12.4766 13.2715 13.2715 k = 0.0000 0.0000 0.1966 ( 3038 PWs) bands (ev): -4.1983 -4.1983 -2.9105 -2.9105 0.2048 0.2048 0.5004 0.5004 3.7772 3.7772 4.9057 4.9057 5.3209 5.3209 5.7715 5.7715 6.4259 6.4259 6.4447 6.4447 6.5140 6.5140 7.1406 7.1406 7.2756 7.2756 7.3564 7.3564 7.6106 7.6106 7.7416 7.7416 7.9936 7.9936 8.4205 8.4205 8.9018 8.9018 9.8749 9.8749 10.3079 10.3079 11.6748 11.6748 12.4308 12.4308 13.2972 13.2972 k = 0.0000 0.0000 0.2075 ( 3038 PWs) bands (ev): -4.1530 -4.1530 -2.9901 -2.9901 0.2419 0.2419 0.5016 0.5016 3.8089 3.8089 4.8265 4.8265 5.3723 5.3723 5.7618 5.7618 6.4467 6.4467 6.4564 6.4564 6.5106 6.5106 7.1386 7.1386 7.2647 7.2647 7.3392 7.3392 7.6270 7.6270 7.7439 7.7439 8.0027 8.0027 8.4844 8.4844 8.8576 8.8576 9.7991 9.7991 10.3759 10.3759 11.6474 11.6474 12.4020 12.4020 13.3215 13.3215 k = 0.0000 0.0000 0.2184 ( 3046 PWs) bands (ev): -4.1054 -4.1054 -3.0688 -3.0688 0.2764 0.2764 0.5019 0.5019 3.8425 3.8425 4.7478 4.7478 5.4215 5.4215 5.7529 5.7529 6.4491 6.4491 6.4932 6.4932 6.5072 6.5072 7.1380 7.1380 7.2534 7.2534 7.3193 7.3193 7.6420 7.6420 7.7456 7.7456 8.0139 8.0139 8.5493 8.5493 8.8012 8.8012 9.7228 9.7228 10.4467 10.4467 11.6161 11.6161 12.3948 12.3948 13.3442 13.3442 k = 0.0000 0.0000 0.2293 ( 3042 PWs) bands (ev): -4.0556 -4.0556 -3.1463 -3.1463 0.3081 0.3081 0.5012 0.5012 3.8781 3.8781 4.6706 4.6706 5.4675 5.4675 5.7446 5.7446 6.4517 6.4517 6.5027 6.5027 6.5382 6.5382 7.1386 7.1386 7.2415 7.2415 7.2965 7.2965 7.6557 7.6557 7.7465 7.7465 8.0277 8.0277 8.6140 8.6140 8.7366 8.7366 9.6462 9.6462 10.5203 10.5203 11.5763 11.5763 12.4116 12.4116 13.3645 13.3645 k = 0.0000 0.0000 0.2403 ( 3044 PWs) bands (ev): -4.0035 -4.0035 -3.2224 -3.2224 0.3371 0.3371 0.4994 0.4994 3.9161 3.9161 4.5954 4.5954 5.5093 5.5093 5.7364 5.7364 6.4545 6.4545 6.4989 6.4989 6.5893 6.5893 7.1402 7.1402 7.2281 7.2281 7.2712 7.2712 7.6684 7.6684 7.7466 7.7466 8.0447 8.0447 8.6481 8.6481 8.6977 8.6977 9.5695 9.5695 10.5963 10.5963 11.5260 11.5260 12.4519 12.4519 13.3809 13.3809 k = 0.0000 0.0000 0.2512 ( 3044 PWs) bands (ev): -3.9492 -3.9492 -3.2972 -3.2972 0.3633 0.3633 0.4963 0.4963 3.9566 3.9566 4.5226 4.5226 5.5465 5.5465 5.7279 5.7279 6.4574 6.4574 6.4948 6.4948 6.6464 6.6464 7.1422 7.1422 7.2106 7.2106 7.2461 7.2461 7.6800 7.6800 7.7457 7.7457 8.0653 8.0653 8.5817 8.5817 8.7573 8.7573 9.4929 9.4929 10.6744 10.6744 11.4658 11.4658 12.5128 12.5128 13.3890 13.3890 k = 0.0000 0.0000 0.2621 ( 3044 PWs) bands (ev): -3.8929 -3.8929 -3.3705 -3.3705 0.3870 0.3870 0.4918 0.4918 3.9997 3.9997 4.4525 4.4525 5.5791 5.5791 5.7188 5.7188 6.4606 6.4606 6.4908 6.4908 6.7084 6.7084 7.1421 7.1421 7.1860 7.1860 7.2262 7.2262 7.6907 7.6907 7.7437 7.7437 8.0902 8.0902 8.5071 8.5071 8.8262 8.8262 9.4165 9.4165 10.7543 10.7543 11.3978 11.3978 12.5904 12.5904 13.3728 13.3728 k = 0.0000 0.0000 0.2730 ( 3048 PWs) bands (ev): -3.8344 -3.8344 -3.4422 -3.4422 0.4080 0.4080 0.4857 0.4857 4.0456 4.0456 4.3852 4.3852 5.6073 5.6073 5.7088 5.7088 6.4639 6.4639 6.4867 6.4867 6.7735 6.7735 7.1252 7.1252 7.1680 7.1680 7.2121 7.2121 7.7005 7.7005 7.7406 7.7406 8.1201 8.1201 8.4342 8.4342 8.8968 8.8968 9.3404 9.3404 10.8356 10.8356 11.3239 11.3239 12.6805 12.6805 13.3080 13.3080 k = 0.0000 0.0000 0.2839 ( 3040 PWs) bands (ev): -3.7738 -3.7738 -3.5121 -3.5121 0.4265 0.4265 0.4779 0.4779 4.0945 4.0945 4.3209 4.3209 5.6314 5.6314 5.6975 5.6975 6.4674 6.4674 6.4826 6.4826 6.8401 6.8401 7.0829 7.0829 7.1684 7.1684 7.2007 7.2007 7.7095 7.7095 7.7365 7.7365 8.1558 8.1558 8.3656 8.3656 8.9687 8.9687 9.2647 9.2647 10.9179 10.9179 11.2460 11.2460 12.7797 12.7797 13.2110 13.2110 k = 0.0000 0.0000 0.2949 ( 3036 PWs) bands (ev): -3.7113 -3.7113 -3.5804 -3.5804 0.4427 0.4427 0.4683 0.4683 4.1465 4.1465 4.2596 4.2596 5.6520 5.6520 5.6846 5.6846 6.4711 6.4711 6.4787 6.4787 6.9063 6.9063 7.0296 7.0296 7.1742 7.1742 7.1908 7.1908 7.7177 7.7177 7.7313 7.7313 8.1978 8.1978 8.3028 8.3028 9.0415 9.0415 9.1896 9.1896 11.0007 11.0007 11.1655 11.1655 12.8851 12.8851 13.1038 13.1038 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6468 -3.6468 -3.6467 -3.6467 0.4565 0.4565 0.4565 0.4565 4.2015 4.2015 4.2015 4.2015 5.6695 5.6695 5.6696 5.6696 6.4748 6.4748 6.4749 6.4749 6.9700 6.9700 6.9701 6.9701 7.1818 7.1818 7.1820 7.1820 7.7249 7.7249 7.7251 7.7251 8.2467 8.2467 8.2468 8.2468 9.1152 9.1152 9.1152 9.1152 11.0834 11.0834 11.0835 11.0835 12.9940 12.9940 12.9940 12.9940 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6468 -3.6468 -3.6467 -3.6467 0.4565 0.4565 0.4565 0.4565 4.2015 4.2015 4.2015 4.2015 5.6695 5.6695 5.6696 5.6696 6.4748 6.4748 6.4749 6.4749 6.9700 6.9700 6.9701 6.9701 7.1818 7.1818 7.1820 7.1820 7.7249 7.7249 7.7251 7.7251 8.2467 8.2467 8.2468 8.2468 9.1152 9.1152 9.1152 9.1152 11.0834 11.0834 11.0835 11.0835 12.9940 12.9940 12.9940 12.9940 k = 0.0111-0.0000 0.3058 ( 3042 PWs) bands (ev): -3.6457 -3.6457 -3.6457 -3.6457 0.4564 0.4564 0.4567 0.4567 4.2022 4.2022 4.2029 4.2029 5.6697 5.6697 5.6700 5.6700 6.4712 6.4712 6.4762 6.4762 6.9675 6.9675 6.9738 6.9738 7.1785 7.1785 7.1803 7.1803 7.7209 7.7209 7.7261 7.7261 8.2458 8.2458 8.2477 8.2477 9.1079 9.1079 9.1127 9.1127 11.0887 11.0887 11.0911 11.0911 12.9881 12.9881 12.9980 12.9980 k = 0.0222-0.0000 0.3058 ( 3046 PWs) bands (ev): -3.6425 -3.6425 -3.6424 -3.6424 0.4563 0.4563 0.4569 0.4569 4.2050 4.2050 4.2063 4.2063 5.6705 5.6705 5.6711 5.6711 6.4654 6.4654 6.4753 6.4753 6.9660 6.9660 6.9787 6.9787 7.1705 7.1705 7.1739 7.1739 7.7140 7.7140 7.7243 7.7243 8.2448 8.2448 8.2486 8.2486 9.0914 9.0914 9.1008 9.1008 11.1063 11.1063 11.1112 11.1112 12.9795 12.9795 13.0005 13.0005 k = 0.0333-0.0000 0.3058 ( 3046 PWs) bands (ev): -3.6371 -3.6371 -3.6371 -3.6371 0.4563 0.4563 0.4571 0.4571 4.2099 4.2099 4.2119 4.2119 5.6719 5.6719 5.6727 5.6727 6.4577 6.4577 6.4722 6.4722 6.9647 6.9647 6.9840 6.9840 7.1587 7.1587 7.1631 7.1631 7.7046 7.7046 7.7198 7.7198 8.2437 8.2437 8.2493 8.2493 9.0667 9.0667 9.0806 9.0806 11.1351 11.1351 11.1426 11.1426 12.9666 12.9666 13.0011 13.0011 k = 0.0444-0.0000 0.3058 ( 3036 PWs) bands (ev): -3.6296 -3.6296 -3.6295 -3.6295 0.4562 0.4562 0.4574 0.4574 4.2169 4.2169 4.2196 4.2196 5.6739 5.6739 5.6750 5.6750 6.4481 6.4481 6.4671 6.4671 6.9622 6.9622 6.9887 6.9887 7.1443 7.1443 7.1488 7.1488 7.6929 7.6929 7.7128 7.7128 8.2427 8.2427 8.2499 8.2499 9.0357 9.0357 9.0536 9.0536 11.1733 11.1733 11.1837 11.1837 12.9470 12.9470 12.9988 12.9988 k = 0.0556-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.6200 -3.6200 -3.6199 -3.6199 0.4562 0.4562 0.4576 0.4576 4.2258 4.2258 4.2293 4.2293 5.6761 5.6761 5.6775 5.6775 6.4367 6.4367 6.4598 6.4598 6.9562 6.9562 6.9900 6.9900 7.1295 7.1295 7.1333 7.1333 7.6792 7.6792 7.7036 7.7036 8.2415 8.2415 8.2502 8.2502 9.0000 9.0000 9.0217 9.0217 11.2188 11.2188 11.2322 11.2322 12.9174 12.9174 12.9904 12.9904 k = 0.0667-0.0000 0.3058 ( 3036 PWs) bands (ev): -3.6083 -3.6083 -3.6082 -3.6082 0.4561 0.4561 0.4578 0.4578 4.2367 4.2367 4.2410 4.2410 5.6786 5.6786 5.6803 5.6803 6.4236 6.4236 6.4505 6.4505 6.9435 6.9435 6.9839 6.9839 7.1175 7.1175 7.1209 7.1209 7.6643 7.6643 7.6927 7.6927 8.2403 8.2403 8.2502 8.2502 8.9617 8.9617 8.9866 8.9866 11.2695 11.2695 11.2862 11.2862 12.8737 12.8737 12.9686 12.9686 k = 0.0778-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.5945 -3.5945 -3.5943 -3.5943 0.4559 0.4559 0.4579 0.4579 4.2496 4.2496 4.2548 4.2548 5.6809 5.6809 5.6830 5.6830 6.4088 6.4088 6.4391 6.4391 6.9214 6.9214 6.9660 6.9660 7.1114 7.1114 7.1159 7.1159 7.6485 7.6485 7.6804 7.6804 8.2388 8.2388 8.2497 8.2497 8.9223 8.9223 8.9499 8.9499 11.3232 11.3232 11.3433 11.3433 12.8128 12.8128 12.9207 12.9207 k = 0.0889-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.5786 -3.5786 -3.5784 -3.5784 0.4555 0.4555 0.4578 0.4578 4.2642 4.2642 4.2704 4.2704 5.6829 5.6829 5.6853 5.6853 6.3923 6.3923 6.4255 6.4255 6.8897 6.8897 6.9359 6.9359 7.1121 7.1121 7.1196 7.1196 7.6321 7.6321 7.6671 7.6671 8.2371 8.2371 8.2487 8.2487 8.8833 8.8833 8.9130 8.9130 11.3781 11.3781 11.4018 11.4018 12.7340 12.7340 12.8401 12.8401 k = 0.1000-0.0000 0.3058 ( 3042 PWs) bands (ev): -3.5606 -3.5606 -3.5604 -3.5604 0.4550 0.4550 0.4576 0.4576 4.2807 4.2807 4.2879 4.2879 5.6841 5.6841 5.6869 5.6869 6.3740 6.3740 6.4094 6.4094 6.8504 6.8504 6.8966 6.8966 7.1185 7.1185 7.1297 7.1297 7.6157 7.6157 7.6533 7.6533 8.2350 8.2350 8.2470 8.2470 8.8456 8.8456 8.8768 8.8768 11.4325 11.4325 11.4600 11.4600 12.6392 12.6392 12.7349 12.7349 k = 0.1111-0.0000 0.3058 ( 3042 PWs) bands (ev): -3.5406 -3.5406 -3.5405 -3.5405 0.4542 0.4542 0.4570 0.4570 4.2987 4.2987 4.3071 4.3071 5.6840 5.6840 5.6873 5.6873 6.3535 6.3535 6.3904 6.3904 6.8067 6.8067 6.8520 6.8520 7.1291 7.1291 7.1439 7.1439 7.5994 7.5994 7.6392 7.6392 8.2324 8.2324 8.2444 8.2444 8.8100 8.8100 8.8421 8.8421 11.4850 11.4850 11.5162 11.5162 12.5314 12.5314 12.6154 12.6154 k = 0.1222-0.0000 0.3058 ( 3038 PWs) bands (ev): -3.5187 -3.5187 -3.5185 -3.5185 0.4530 0.4530 0.4561 0.4561 4.3182 4.3182 4.3281 4.3281 5.6819 5.6819 5.6857 5.6857 6.3307 6.3307 6.3678 6.3678 6.7619 6.7619 6.8054 6.8054 7.1425 7.1425 7.1606 7.1606 7.5835 7.5835 7.6252 7.6252 8.2293 8.2293 8.2410 8.2410 8.7768 8.7768 8.8093 8.8093 11.5344 11.5344 11.5694 11.5694 12.4140 12.4140 12.4872 12.4872 k = 0.1333-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.4948 -3.4948 -3.4946 -3.4946 0.4515 0.4515 0.4548 0.4548 4.3391 4.3391 4.3505 4.3505 5.6769 5.6769 5.6814 5.6814 6.3054 6.3054 6.3411 6.3411 6.7192 6.7192 6.7598 6.7598 7.1578 7.1578 7.1787 7.1787 7.5681 7.5681 7.6113 7.6113 8.2256 8.2256 8.2365 8.2365 8.7463 8.7463 8.7784 8.7784 11.5794 11.5794 11.6184 11.6184 12.2898 12.2898 12.3536 12.3536 k = 0.1444-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.4689 -3.4689 -3.4687 -3.4687 0.4494 0.4494 0.4530 0.4530 4.3610 4.3610 4.3742 4.3742 5.6679 5.6679 5.6733 5.6733 6.2776 6.2776 6.3102 6.3102 6.6813 6.6813 6.7176 6.7176 7.1744 7.1744 7.1979 7.1979 7.5532 7.5532 7.5979 7.5979 8.2211 8.2211 8.2309 8.2309 8.7183 8.7183 8.7496 8.7496 11.6191 11.6191 11.6621 11.6621 12.1613 12.1613 12.2168 12.2168 k = 0.1556-0.0000 0.3058 ( 3044 PWs) bands (ev): -3.4413 -3.4413 -3.4410 -3.4410 0.4468 0.4468 0.4506 0.4506 4.3837 4.3837 4.3990 4.3990 5.6536 5.6536 5.6602 5.6602 6.2481 6.2481 6.2761 6.2761 6.6500 6.6500 6.6807 6.6807 7.1916 7.1916 7.2175 7.2175 7.5389 7.5389 7.5850 7.5850 8.2157 8.2157 8.2239 8.2239 8.6929 8.6929 8.7227 8.7227 11.6516 11.6516 11.6994 11.6994 12.0310 12.0310 12.0786 12.0786 k = 0.1667-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.4118 -3.4118 -3.4115 -3.4115 0.4435 0.4435 0.4476 0.4476 4.4069 4.4069 4.4247 4.4247 5.6330 5.6330 5.6413 5.6413 6.2183 6.2183 6.2409 6.2409 6.6262 6.6262 6.6504 6.6504 7.2093 7.2093 7.2373 7.2373 7.5253 7.5253 7.5729 7.5729 8.2095 8.2095 8.2156 8.2156 8.6699 8.6699 8.6977 8.6977 11.6727 11.6727 11.7275 11.7275 11.9042 11.9042 11.9423 11.9423 k = 0.1778-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.3805 -3.3805 -3.3802 -3.3802 0.4394 0.4394 0.4437 0.4437 4.4301 4.4301 4.4507 4.4507 5.6049 5.6049 5.6155 5.6155 6.1901 6.1901 6.2070 6.2070 6.6094 6.6094 6.6271 6.6271 7.2269 7.2269 7.2571 7.2571 7.5124 7.5124 7.5616 7.5616 8.2022 8.2022 8.2059 8.2059 8.6490 8.6490 8.6742 8.6742 11.6619 11.6619 11.7271 11.7271 11.8021 11.8021 11.8276 11.8276 k = 0.1889-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.3476 -3.3476 -3.3473 -3.3473 0.4344 0.4344 0.4390 0.4390 4.4527 4.4527 4.4767 4.4767 5.5690 5.5690 5.5827 5.5827 6.1651 6.1651 6.1770 6.1770 6.5990 6.5990 6.6105 6.6105 7.2442 7.2442 7.2764 7.2764 7.5003 7.5003 7.5512 7.5512 8.1939 8.1939 8.1947 8.1947 8.6299 8.6299 8.6521 8.6521 11.5753 11.5753 11.6306 11.6306 11.7690 11.7690 11.8026 11.8026 k = 0.2000-0.0000 0.3058 ( 3030 PWs) bands (ev): -3.3130 -3.3130 -3.3127 -3.3127 0.4285 0.4285 0.4333 0.4333 4.4740 4.4740 4.5019 4.5019 5.5259 5.5259 5.5439 5.5439 6.1446 6.1446 6.1523 6.1523 6.5942 6.5942 6.6002 6.6002 7.2607 7.2607 7.2950 7.2950 7.4893 7.4893 7.5420 7.5420 8.1820 8.1820 8.1846 8.1846 8.6121 8.6121 8.6309 8.6309 11.4501 11.4501 11.4966 11.4966 11.7684 11.7684 11.8092 11.8092 k = 0.2111-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.2769 -3.2769 -3.2766 -3.2766 0.4215 0.4215 0.4264 0.4264 4.4928 4.4928 4.5253 4.5253 5.4777 5.4777 5.5009 5.5009 6.1290 6.1290 6.1336 6.1336 6.5942 6.5942 6.5955 6.5955 7.2762 7.2762 7.3124 7.3124 7.4796 7.4796 7.5342 7.5342 8.1678 8.1678 8.1741 8.1741 8.5956 8.5956 8.6106 8.6106 11.3172 11.3172 11.3587 11.3587 11.7700 11.7700 11.8142 11.8142 k = 0.2222-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.2393 -3.2393 -3.2390 -3.2390 0.4133 0.4133 0.4185 0.4185 4.5081 4.5081 4.5457 4.5457 5.4272 5.4272 5.4565 5.4565 6.1181 6.1181 6.1203 6.1203 6.5960 6.5960 6.5986 6.5986 7.2903 7.2903 7.3280 7.3280 7.4716 7.4716 7.5281 7.5281 8.1521 8.1521 8.1627 8.1627 8.5801 8.5801 8.5909 8.5909 11.1831 11.1831 11.2211 11.2211 11.7679 11.7679 11.8140 11.8140 k = 0.2333-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.2004 -3.2004 -3.2001 -3.2001 0.4039 0.4039 0.4092 0.4092 4.5183 4.5183 4.5616 4.5616 5.3778 5.3778 5.4138 5.4138 6.1110 6.1110 6.1117 6.1117 6.6009 6.6009 6.6068 6.6068 7.3024 7.3024 7.3410 7.3410 7.4659 7.4659 7.5238 7.5238 8.1350 8.1350 8.1501 8.1501 8.5652 8.5652 8.5716 8.5716 11.0496 11.0496 11.0850 11.0850 11.7609 11.7609 11.8082 11.8082 k = 0.2444-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.1602 -3.1602 -3.1599 -3.1599 0.3931 0.3931 0.3986 0.3986 4.5218 4.5218 4.5708 4.5708 5.3333 5.3333 5.3761 5.3761 6.1068 6.1068 6.1071 6.1071 6.6100 6.6100 6.6185 6.6185 7.3123 7.3123 7.3505 7.3505 7.4633 7.4633 7.5216 7.5216 8.1166 8.1166 8.1366 8.1366 8.5508 8.5508 8.5525 8.5525 10.9176 10.9176 10.9509 10.9509 11.7489 11.7489 11.7969 11.7969 k = 0.2556-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.1189 -3.1189 -3.1185 -3.1185 0.3810 0.3810 0.3866 0.3866 4.5170 4.5170 4.5712 4.5712 5.2973 5.2973 5.3464 5.3464 6.1046 6.1046 6.1055 6.1055 6.6228 6.6228 6.6333 6.6333 7.3196 7.3196 7.3558 7.3558 7.4643 7.4643 7.5218 7.5218 8.0970 8.0970 8.1222 8.1222 8.5335 8.5335 8.5366 8.5366 10.7877 10.7877 10.8193 10.8193 11.7320 11.7320 11.7804 11.7804 k = 0.2667-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.0765 -3.0765 -3.0762 -3.0762 0.3674 0.3674 0.3731 0.3731 4.5030 4.5030 4.5612 4.5612 5.2727 5.2727 5.3268 5.3268 6.1045 6.1045 6.1058 6.1058 6.6389 6.6389 6.6510 6.6510 7.3242 7.3242 7.3570 7.3570 7.4686 7.4686 7.5241 7.5241 8.0763 8.0763 8.1071 8.1071 8.5144 8.5144 8.5224 8.5224 10.6603 10.6603 10.6906 10.6906 11.7107 11.7107 11.7591 11.7591 k = 0.2778-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.0334 -3.0334 -3.0330 -3.0330 0.3522 0.3522 0.3581 0.3581 4.4796 4.4796 4.5399 4.5399 5.2614 5.2614 5.3186 5.3186 6.1060 6.1060 6.1074 6.1074 6.6580 6.6580 6.6713 6.6713 7.3262 7.3262 7.3548 7.3548 7.4751 7.4751 7.5281 7.5281 8.0547 8.0547 8.0913 8.0913 8.4951 8.4951 8.5082 8.5082 10.5358 10.5358 10.5650 10.5650 11.6854 11.6854 11.7338 11.7338 k = 0.2889-0.0000 0.3058 ( 3022 PWs) bands (ev): -2.9895 -2.9895 -2.9891 -2.9891 0.3356 0.3356 0.3415 0.3415 4.4476 4.4476 4.5082 4.5082 5.2632 5.2632 5.3216 5.3216 6.1087 6.1087 6.1100 6.1100 6.6799 6.6799 6.6941 6.6941 7.3257 7.3257 7.3502 7.3502 7.4825 7.4825 7.5335 7.5335 8.0325 8.0325 8.0750 8.0750 8.4758 8.4758 8.4939 8.4939 10.4145 10.4145 10.4428 10.4428 11.6567 11.6567 11.7049 11.7049 k = 0.3000-0.0000 0.3058 ( 3014 PWs) bands (ev): -2.9450 -2.9450 -2.9447 -2.9447 0.3175 0.3175 0.3235 0.3235 4.4087 4.4087 4.4681 4.4681 5.2769 5.2769 5.3349 5.3349 6.1121 6.1121 6.1134 6.1134 6.7042 6.7042 6.7189 6.7189 7.3234 7.3234 7.3443 7.3443 7.4896 7.4896 7.5395 7.5395 8.0100 8.0100 8.0585 8.0585 8.4564 8.4564 8.4795 8.4795 10.2965 10.2965 10.3244 10.3244 11.6252 11.6252 11.6732 11.6732 k = 0.3111-0.0000 0.3058 ( 3014 PWs) bands (ev): -2.9003 -2.9003 -2.8999 -2.8999 0.2980 0.2980 0.3040 0.3040 4.3648 4.3648 4.4221 4.4221 5.3002 5.3002 5.3568 5.3568 6.1161 6.1161 6.1173 6.1173 6.7307 6.7307 6.7457 6.7457 7.3192 7.3192 7.3374 7.3374 7.4955 7.4955 7.5453 7.5453 7.9874 7.9874 8.0418 8.0418 8.4370 8.4370 8.4650 8.4650 10.1823 10.1823 10.2098 10.2098 11.5916 11.5916 11.6393 11.6393 k = 0.3222-0.0000 0.3058 ( 3018 PWs) bands (ev): -2.8554 -2.8554 -2.8550 -2.8550 0.2771 0.2771 0.2832 0.2832 4.3178 4.3178 4.3725 4.3725 5.3312 5.3312 5.3858 5.3858 6.1204 6.1204 6.1214 6.1214 6.7590 6.7590 6.7741 6.7741 7.3137 7.3137 7.3301 7.3301 7.4995 7.4995 7.5501 7.5501 7.9652 7.9652 8.0251 8.0251 8.4179 8.4179 8.4506 8.4506 10.0720 10.0720 10.0994 10.0994 11.5565 11.5565 11.6039 11.6039 k = 0.3333-0.0000 0.3058 ( 3018 PWs) bands (ev): -2.8106 -2.8106 -2.8103 -2.8103 0.2550 0.2550 0.2611 0.2611 4.2693 4.2693 4.3214 4.3214 5.3680 5.3680 5.4204 5.4204 6.1248 6.1248 6.1258 6.1258 6.7889 6.7889 6.8040 6.8040 7.3070 7.3070 7.3226 7.3226 7.5009 7.5009 7.5532 7.5532 7.9438 7.9438 8.0085 8.0085 8.3996 8.3996 8.4364 8.4364 9.9659 9.9659 9.9934 9.9934 11.5204 11.5204 11.5677 11.5677 k = 0.3444-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.7662 -2.7662 -2.7659 -2.7659 0.2319 0.2319 0.2379 0.2379 4.2209 4.2209 4.2703 4.2703 5.4091 5.4091 5.4593 5.4593 6.1291 6.1291 6.1302 6.1302 6.8201 6.8201 6.8351 6.8351 7.2993 7.2993 7.3149 7.3149 7.4994 7.4994 7.5538 7.5538 7.9236 7.9236 7.9919 7.9919 8.3823 8.3823 8.4227 8.4227 9.8641 9.8641 9.8918 9.8918 11.4842 11.4842 11.5312 11.5312 k = 0.3556-0.0000 0.3058 ( 3026 PWs) bands (ev): -2.7225 -2.7225 -2.7221 -2.7221 0.2079 0.2079 0.2140 0.2140 4.1735 4.1735 4.2205 4.2205 5.4534 5.4534 5.5014 5.5014 6.1333 6.1333 6.1346 6.1346 6.8525 6.8525 6.8672 6.8672 7.2908 7.2908 7.3071 7.3071 7.4948 7.4948 7.5514 7.5514 7.9051 7.9051 7.9752 7.9752 8.3668 8.3668 8.4099 8.4099 9.7668 9.7668 9.7950 9.7950 11.4482 11.4482 11.4949 11.4949 k = 0.3667-0.0000 0.3058 ( 3030 PWs) bands (ev): -2.6797 -2.6797 -2.6793 -2.6793 0.1833 0.1833 0.1894 0.1894 4.1280 4.1280 4.1728 4.1728 5.4999 5.4999 5.5458 5.5458 6.1370 6.1370 6.1386 6.1386 6.8857 6.8857 6.9000 6.9000 7.2814 7.2814 7.2994 7.2994 7.4871 7.4871 7.5456 7.5456 7.8884 7.8884 7.9580 7.9580 8.3536 8.3536 8.3984 8.3984 9.6742 9.6742 9.7031 9.7031 11.4129 11.4129 11.4595 11.4595 k = 0.3778-0.0000 0.3058 ( 3026 PWs) bands (ev): -2.6382 -2.6382 -2.6379 -2.6379 0.1585 0.1585 0.1645 0.1645 4.0850 4.0850 4.1278 4.1278 5.5479 5.5479 5.5918 5.5918 6.1401 6.1401 6.1423 6.1423 6.9195 6.9195 6.9334 6.9334 7.2712 7.2712 7.2915 7.2915 7.4766 7.4766 7.5364 7.5364 7.8734 7.8734 7.9401 7.9401 8.3433 8.3433 8.3887 8.3887 9.5865 9.5865 9.6163 9.6163 11.3790 11.3790 11.4254 11.4254 k = 0.3889-0.0000 0.3058 ( 3034 PWs) bands (ev): -2.5984 -2.5984 -2.5980 -2.5980 0.1337 0.1337 0.1397 0.1397 4.0449 4.0449 4.0860 4.0860 5.5967 5.5967 5.6385 5.6385 6.1423 6.1423 6.1453 6.1453 6.9536 6.9536 6.9671 6.9671 7.2602 7.2602 7.2836 7.2836 7.4636 7.4636 7.5241 7.5241 7.8600 7.8600 7.9209 7.9209 8.3363 8.3363 8.3810 8.3810 9.5038 9.5038 9.5347 9.5347 11.3468 11.3468 11.3930 11.3930 k = 0.4000-0.0000 0.3058 ( 3038 PWs) bands (ev): -2.5606 -2.5606 -2.5602 -2.5602 0.1094 0.1094 0.1153 0.1153 4.0082 4.0082 4.0477 4.0477 5.6457 5.6457 5.6854 5.6854 6.1433 6.1433 6.1474 6.1474 6.9876 6.9876 7.0007 7.0007 7.2485 7.2485 7.2754 7.2754 7.4488 7.4488 7.5092 7.5092 7.8476 7.8476 7.9004 7.9004 8.3330 8.3330 8.3760 8.3760 9.4265 9.4265 9.4586 9.4586 11.3166 11.3166 11.3627 11.3627 k = 0.4111-0.0000 0.3058 ( 3042 PWs) bands (ev): -2.5252 -2.5252 -2.5249 -2.5249 0.0860 0.0860 0.0918 0.0918 3.9749 3.9749 4.0132 4.0132 5.6942 5.6942 5.7318 5.7318 6.1430 6.1430 6.1484 6.1484 7.0214 7.0214 7.0340 7.0340 7.2364 7.2364 7.2669 7.2669 7.4329 7.4329 7.4923 7.4923 7.8359 7.8359 7.8785 7.8785 8.3333 8.3333 8.3737 8.3737 9.3549 9.3549 9.3883 9.3883 11.2888 11.2888 11.3348 11.3348 k = 0.4222-0.0000 0.3058 ( 3046 PWs) bands (ev): -2.4926 -2.4926 -2.4923 -2.4923 0.0638 0.0638 0.0696 0.0696 3.9454 3.9454 3.9825 3.9825 5.7418 5.7418 5.7770 5.7770 6.1410 6.1410 6.1481 6.1481 7.0544 7.0544 7.0665 7.0665 7.2243 7.2243 7.2582 7.2582 7.4167 7.4167 7.4741 7.4741 7.8244 7.8244 7.8557 7.8557 8.3369 8.3369 8.3741 8.3741 9.2891 9.2891 9.3239 9.3239 11.2637 11.2637 11.3096 11.3096 k = 0.4333-0.0000 0.3058 ( 3048 PWs) bands (ev): -2.4634 -2.4634 -2.4631 -2.4631 0.0434 0.0434 0.0492 0.0492 3.9197 3.9197 3.9559 3.9559 5.7877 5.7877 5.8203 5.8203 6.1370 6.1370 6.1463 6.1463 7.0862 7.0862 7.0973 7.0973 7.2132 7.2132 7.2494 7.2494 7.4009 7.4009 7.4550 7.4550 7.8132 7.8132 7.8323 7.8323 8.3431 8.3431 8.3772 8.3772 9.2298 9.2298 9.2660 9.2660 11.2416 11.2416 11.2874 11.2874 k = 0.4444-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.4377 -2.4377 -2.4374 -2.4374 0.0253 0.0253 0.0310 0.0310 3.8979 3.8979 3.9333 3.9333 5.8314 5.8314 5.8611 5.8611 6.1309 6.1309 6.1428 6.1428 7.1161 7.1161 7.1246 7.1246 7.2052 7.2052 7.2408 7.2408 7.3863 7.3863 7.4357 7.4357 7.8024 7.8024 7.8096 7.8096 8.3511 8.3511 8.3822 8.3822 9.1774 9.1774 9.2152 9.2152 11.2225 11.2225 11.2682 11.2682 k = 0.4556-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.4162 -2.4162 -2.4159 -2.4159 0.0097 0.0097 0.0154 0.0154 3.8800 3.8800 3.9147 3.9147 5.8719 5.8719 5.8984 5.8984 6.1226 6.1226 6.1375 6.1375 7.1432 7.1432 7.1436 7.1436 7.2048 7.2048 7.2326 7.2326 7.3732 7.3732 7.4162 7.4162 7.7883 7.7883 7.7925 7.7925 8.3599 8.3599 8.3886 8.3886 9.1327 9.1327 9.1719 9.1719 11.2067 11.2067 11.2523 11.2523 k = 0.4667-0.0000 0.3058 ( 3032 PWs) bands (ev): -2.3990 -2.3990 -2.3987 -2.3987 -0.0028 -0.0028 0.0028 0.0028 3.8661 3.8661 3.9004 3.9004 5.9082 5.9082 5.9310 5.9310 6.1123 6.1123 6.1308 6.1308 7.1498 7.1498 7.1662 7.1662 7.2166 7.2166 7.2259 7.2259 7.3620 7.3620 7.3972 7.3972 7.7698 7.7698 7.7839 7.7839 8.3684 8.3684 8.3952 8.3952 9.0965 9.0965 9.1370 9.1370 11.1943 11.1943 11.2399 11.2399 k = 0.4778-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.3865 -2.3865 -2.3862 -2.3862 -0.0120 -0.0120 -0.0064 -0.0064 3.8562 3.8562 3.8901 3.8901 5.9386 5.9386 5.9575 5.9575 6.1010 6.1010 6.1234 6.1234 7.1485 7.1485 7.1833 7.1833 7.2217 7.2217 7.2348 7.2348 7.3531 7.3531 7.3795 7.3795 7.7553 7.7553 7.7771 7.7771 8.3755 8.3755 8.4010 8.4010 9.0696 9.0696 9.1112 9.1112 11.1853 11.1853 11.2309 11.2309 k = 0.4889-0.0000 0.3058 ( 3032 PWs) bands (ev): -2.3789 -2.3789 -2.3786 -2.3786 -0.0176 -0.0176 -0.0121 -0.0121 3.8502 3.8502 3.8839 3.8839 5.9603 5.9603 5.9754 5.9754 6.0911 6.0911 6.1172 6.1172 7.1460 7.1460 7.1927 7.1927 7.2210 7.2210 7.2508 7.2508 7.3472 7.3472 7.3655 7.3655 7.7461 7.7461 7.7729 7.7729 8.3802 8.3802 8.4050 8.4050 9.0531 9.0531 9.0954 9.0954 11.1800 11.1800 11.2255 11.2255 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3763 -2.3763 -2.3761 -2.3761 -0.0195 -0.0195 -0.0140 -0.0140 3.8482 3.8482 3.8818 3.8818 5.9685 5.9685 5.9820 5.9820 6.0869 6.0869 6.1147 6.1147 7.1450 7.1450 7.1952 7.1952 7.2216 7.2216 7.2573 7.2573 7.3451 7.3451 7.3598 7.3598 7.7429 7.7429 7.7715 7.7715 8.3819 8.3819 8.4064 8.4064 9.0475 9.0475 9.0901 9.0901 11.1782 11.1782 11.2237 11.2237 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3763 -2.3763 -2.3761 -2.3761 -0.0195 -0.0195 -0.0140 -0.0140 3.8482 3.8482 3.8818 3.8818 5.9685 5.9685 5.9820 5.9820 6.0869 6.0869 6.1147 6.1147 7.1450 7.1450 7.1952 7.1952 7.2216 7.2216 7.2573 7.2573 7.3451 7.3451 7.3598 7.3598 7.7429 7.7429 7.7715 7.7715 8.3819 8.3819 8.4064 8.4064 9.0475 9.0475 9.0901 9.0901 11.1782 11.1782 11.2237 11.2237 k = 0.5000 0.0110 0.3058 ( 3032 PWs) bands (ev): -2.3756 -2.3756 -2.3753 -2.3753 -0.0198 -0.0198 -0.0142 -0.0142 3.8451 3.8451 3.8786 3.8786 5.9661 5.9661 5.9793 5.9793 6.0902 6.0902 6.1179 6.1179 7.1336 7.1336 7.1857 7.1857 7.2142 7.2142 7.2550 7.2550 7.3599 7.3599 7.3714 7.3714 7.7432 7.7432 7.7716 7.7716 8.3805 8.3805 8.4041 8.4041 9.0533 9.0533 9.0951 9.0951 11.1841 11.1841 11.2297 11.2297 k = 0.5000 0.0219 0.3058 ( 3032 PWs) bands (ev): -2.3733 -2.3733 -2.3730 -2.3730 -0.0206 -0.0206 -0.0151 -0.0151 3.8359 3.8359 3.8689 3.8689 5.9590 5.9590 5.9715 5.9715 6.1002 6.1002 6.1271 6.1271 7.1032 7.1032 7.1516 7.1516 7.2109 7.2109 7.2523 7.2523 7.3914 7.3914 7.3987 7.3987 7.7441 7.7441 7.7719 7.7719 8.3767 8.3767 8.3978 8.3978 9.0704 9.0704 9.1100 9.1100 11.2019 11.2019 11.2477 11.2477 k = 0.5000 0.0329 0.3058 ( 3032 PWs) bands (ev): -2.3695 -2.3695 -2.3692 -2.3692 -0.0220 -0.0220 -0.0165 -0.0165 3.8210 3.8210 3.8532 3.8532 5.9471 5.9471 5.9587 5.9587 6.1160 6.1160 6.1418 6.1418 7.0610 7.0610 7.1055 7.1055 7.2126 7.2126 7.2524 7.2524 7.4266 7.4266 7.4315 7.4315 7.7456 7.7456 7.7724 7.7724 8.3709 8.3709 8.3880 8.3880 9.0979 9.0979 9.1342 9.1342 11.2311 11.2311 11.2772 11.2772 k = 0.5000 0.0438 0.3058 ( 3036 PWs) bands (ev): -2.3642 -2.3642 -2.3639 -2.3639 -0.0240 -0.0240 -0.0185 -0.0185 3.8008 3.8008 3.8320 3.8320 5.9301 5.9301 5.9406 5.9406 6.1371 6.1371 6.1610 6.1610 7.0131 7.0131 7.0559 7.0559 7.2160 7.2160 7.2551 7.2551 7.4608 7.4608 7.4649 7.4649 7.7477 7.7477 7.7731 7.7731 8.3639 8.3639 8.3762 8.3762 9.1349 9.1349 9.1672 9.1672 11.2710 11.2710 11.3176 11.3176 k = 0.5000 0.0548 0.3058 ( 3028 PWs) bands (ev): -2.3574 -2.3574 -2.3571 -2.3571 -0.0266 -0.0266 -0.0212 -0.0212 3.7760 3.7760 3.8061 3.8061 5.9078 5.9078 5.9169 5.9169 6.1625 6.1625 6.1840 6.1840 6.9630 6.9630 7.0059 7.0059 7.2206 7.2206 7.2597 7.2597 7.4925 7.4925 7.4969 7.4969 7.7505 7.7505 7.7741 7.7741 8.3564 8.3564 8.3633 8.3633 9.1803 9.1803 9.2083 9.2083 11.3207 11.3207 11.3679 11.3679 k = 0.5000 0.0657 0.3058 ( 3028 PWs) bands (ev): -2.3492 -2.3492 -2.3489 -2.3489 -0.0299 -0.0299 -0.0245 -0.0245 3.7476 3.7476 3.7763 3.7763 5.8795 5.8795 5.8872 5.8872 6.1913 6.1913 6.2096 6.2096 6.9132 6.9132 6.9574 6.9574 7.2261 7.2261 7.2655 7.2655 7.5212 7.5212 7.5267 7.5267 7.7540 7.7540 7.7753 7.7753 8.3494 8.3494 8.3507 8.3507 9.2330 9.2330 9.2566 9.2566 11.3791 11.3791 11.4272 11.4272 k = 0.5000 0.0767 0.3058 ( 3028 PWs) bands (ev): -2.3395 -2.3395 -2.3393 -2.3393 -0.0339 -0.0339 -0.0286 -0.0286 3.7162 3.7162 3.7435 3.7435 5.8447 5.8447 5.8511 5.8511 6.2223 6.2223 6.2369 6.2369 6.8657 6.8657 6.9120 6.9120 7.2322 7.2322 7.2722 7.2722 7.5466 7.5466 7.5537 7.5537 7.7581 7.7581 7.7767 7.7767 8.3394 8.3394 8.3436 8.3436 9.2923 9.2923 9.3116 9.3116 11.4449 11.4449 11.4941 11.4941 k = 0.5000 0.0876 0.3058 ( 3032 PWs) bands (ev): -2.3285 -2.3285 -2.3282 -2.3282 -0.0387 -0.0387 -0.0335 -0.0335 3.6827 3.6827 3.7086 3.7086 5.8032 5.8032 5.8082 5.8082 6.2546 6.2546 6.2648 6.2648 6.8218 6.8218 6.8709 6.8709 7.2387 7.2387 7.2797 7.2797 7.5688 7.5688 7.5780 7.5780 7.7630 7.7630 7.7782 7.7782 8.3302 8.3302 8.3398 8.3398 9.3576 9.3576 9.3726 9.3726 11.5165 11.5165 11.5670 11.5670 k = 0.5000 0.0986 0.3058 ( 3032 PWs) bands (ev): -2.3161 -2.3161 -2.3158 -2.3158 -0.0443 -0.0443 -0.0393 -0.0393 3.6481 3.6481 3.6725 3.6725 5.7546 5.7546 5.7583 5.7583 6.2870 6.2870 6.2925 6.2925 6.7829 6.7829 6.8352 6.8352 7.2454 7.2454 7.2875 7.2875 7.5879 7.5879 7.5995 7.5995 7.7684 7.7684 7.7800 7.7800 8.3240 8.3240 8.3387 8.3387 9.4282 9.4282 9.4393 9.4393 11.5923 11.5923 11.6444 11.6444 k = 0.5000 0.1095 0.3058 ( 3032 PWs) bands (ev): -2.3024 -2.3024 -2.3021 -2.3021 -0.0509 -0.0509 -0.0460 -0.0460 3.6131 3.6131 3.6360 3.6360 5.6990 5.6990 5.7015 5.7015 6.3184 6.3184 6.3188 6.3188 6.7497 6.7497 6.8055 6.8055 7.2522 7.2522 7.2954 7.2954 7.6042 7.6042 7.6181 7.6181 7.7743 7.7743 7.7818 7.7818 8.3215 8.3215 8.3407 8.3407 9.5037 9.5037 9.5111 9.5111 11.6705 11.6705 11.7244 11.7244 k = 0.5000 0.1205 0.3058 ( 3032 PWs) bands (ev): -2.2875 -2.2875 -2.2872 -2.2872 -0.0585 -0.0585 -0.0537 -0.0537 3.5784 3.5784 3.6000 3.6000 5.6368 5.6368 5.6382 5.6382 6.3431 6.3431 6.3477 6.3477 6.7230 6.7230 6.7823 6.7823 7.2587 7.2587 7.3032 7.3032 7.6178 7.6178 7.6341 7.6341 7.7805 7.7805 7.7838 7.7838 8.3232 8.3232 8.3465 8.3465 9.5839 9.5839 9.5878 9.5878 11.7489 11.7489 11.8050 11.8050 k = 0.5000 0.1314 0.3058 ( 3028 PWs) bands (ev): -2.2714 -2.2714 -2.2711 -2.2711 -0.0671 -0.0671 -0.0624 -0.0624 3.5448 3.5448 3.5650 3.5650 5.5683 5.5683 5.5689 5.5689 6.3646 6.3646 6.3741 6.3741 6.7032 6.7032 6.7656 6.7656 7.2648 7.2648 7.3106 7.3106 7.6291 7.6291 7.6475 7.6475 7.7856 7.7856 7.7866 7.7866 8.3296 8.3296 8.3563 8.3563 9.6683 9.6683 9.6689 9.6689 11.8256 11.8256 11.8839 11.8839 k = 0.5000 0.1424 0.3058 ( 3040 PWs) bands (ev): -2.2542 -2.2542 -2.2539 -2.2539 -0.0768 -0.0768 -0.0723 -0.0723 3.5129 3.5129 3.5318 3.5318 5.4943 5.4943 5.4944 5.4944 6.3828 6.3828 6.3965 6.3965 6.6905 6.6905 6.7550 6.7550 7.2704 7.2704 7.3174 7.3174 7.6383 7.6383 7.6584 7.6584 7.7873 7.7873 7.7923 7.7923 8.3410 8.3410 8.3705 8.3705 9.7542 9.7542 9.7566 9.7566 11.8984 11.8984 11.9590 11.9590 k = 0.5000 0.1533 0.3058 ( 3044 PWs) bands (ev): -2.2360 -2.2360 -2.2357 -2.2357 -0.0876 -0.0876 -0.0832 -0.0832 3.4833 3.4833 3.5009 3.5009 5.4153 5.4153 5.4160 5.4160 6.3978 6.3978 6.4144 6.4144 6.6847 6.6847 6.7502 6.7502 7.2753 7.2753 7.3234 7.3234 7.6456 7.6456 7.6669 7.6669 7.7886 7.7886 7.7975 7.7975 8.3574 8.3574 8.3891 8.3891 9.8433 9.8433 9.8487 9.8487 11.9651 11.9651 12.0279 12.0279 k = 0.5000 0.1643 0.3058 ( 3048 PWs) bands (ev): -2.2169 -2.2169 -2.2166 -2.2166 -0.0996 -0.0996 -0.0954 -0.0954 3.4565 3.4565 3.4730 3.4730 5.3327 5.3327 5.3337 5.3337 6.4096 6.4096 6.4277 6.4277 6.6853 6.6853 6.7501 6.7501 7.2796 7.2796 7.3287 7.3287 7.6513 7.6513 7.6733 7.6733 7.7895 7.7895 7.8019 7.8019 8.3789 8.3789 8.4120 8.4120 9.9360 9.9360 9.9441 9.9441 12.0237 12.0237 12.0886 12.0886 k = 0.5000 0.1753 0.3058 ( 3044 PWs) bands (ev): -2.1970 -2.1970 -2.1967 -2.1967 -0.1126 -0.1126 -0.1086 -0.1086 3.4330 3.4330 3.4483 3.4483 5.2474 5.2474 5.2486 5.2486 6.4186 6.4186 6.4368 6.4368 6.6913 6.6913 6.7541 6.7541 7.2833 7.2833 7.3331 7.3331 7.6557 7.6557 7.6778 7.6778 7.7900 7.7900 7.8053 7.8053 8.4050 8.4050 8.4391 8.4391 10.0319 10.0319 10.0427 10.0427 12.0728 12.0728 12.1394 12.1394 k = 0.5000 0.1862 0.3058 ( 3048 PWs) bands (ev): -2.1764 -2.1764 -2.1762 -2.1762 -0.1268 -0.1268 -0.1229 -0.1229 3.4131 3.4131 3.4273 3.4273 5.1599 5.1599 5.1612 5.1612 6.4253 6.4253 6.4426 6.4426 6.7011 6.7011 6.7608 6.7608 7.2865 7.2865 7.3367 7.3367 7.6588 7.6588 7.6804 7.6804 7.7900 7.7900 7.8078 7.8078 8.4354 8.4354 8.4698 8.4698 10.1306 10.1306 10.1440 10.1440 12.1113 12.1113 12.1790 12.1790 k = 0.5000 0.1972 0.3058 ( 3044 PWs) bands (ev): -2.1553 -2.1553 -2.1550 -2.1550 -0.1419 -0.1419 -0.1383 -0.1383 3.3972 3.3972 3.4104 3.4104 5.0711 5.0711 5.0724 5.0724 6.4303 6.4303 6.4460 6.4460 6.7136 6.7136 6.7694 6.7694 7.2893 7.2893 7.3395 7.3395 7.6608 7.6608 7.6816 7.6816 7.7898 7.7898 7.8093 7.8093 8.4695 8.4695 8.5038 8.5038 10.2318 10.2318 10.2477 10.2477 12.1386 12.1386 12.2070 12.2070 k = 0.5000 0.2081 0.3058 ( 3056 PWs) bands (ev): -2.1338 -2.1338 -2.1335 -2.1335 -0.1580 -0.1580 -0.1546 -0.1546 3.3855 3.3855 3.3977 3.3977 4.9815 4.9815 4.9828 4.9828 6.4340 6.4340 6.4479 6.4479 6.7274 6.7274 6.7792 6.7792 7.2917 7.2917 7.3416 7.3416 7.6618 7.6618 7.6813 7.6813 7.7891 7.7891 7.8099 7.8099 8.5065 8.5065 8.5404 8.5404 10.3350 10.3350 10.3534 10.3534 12.1549 12.1549 12.2235 12.2235 k = 0.5000 0.2191 0.3058 ( 3056 PWs) bands (ev): -2.1120 -2.1120 -2.1117 -2.1117 -0.1749 -0.1749 -0.1717 -0.1717 3.3782 3.3782 3.3895 3.3895 4.8917 4.8917 4.8929 4.8929 6.4368 6.4368 6.4488 6.4488 6.7418 6.7418 6.7894 6.7894 7.2939 7.2939 7.3433 7.3433 7.6620 7.6620 7.6798 7.6798 7.7883 7.7883 7.8096 7.8096 8.5458 8.5458 8.5788 8.5788 10.4398 10.4398 10.4608 10.4608 12.1611 12.1611 12.2296 12.2296 k = 0.5000 0.2300 0.3058 ( 3056 PWs) bands (ev): -2.0902 -2.0902 -2.0899 -2.0899 -0.1925 -0.1925 -0.1895 -0.1895 3.3755 3.3755 3.3859 3.3859 4.8022 4.8022 4.8033 4.8033 6.4389 6.4389 6.4491 6.4491 6.7562 6.7562 6.7998 6.7998 7.2961 7.2961 7.3445 7.3445 7.6614 7.6614 7.6773 7.6773 7.7874 7.7874 7.8088 7.8088 8.5866 8.5866 8.6185 8.6185 10.5458 10.5458 10.5692 10.5692 12.1583 12.1583 12.2265 12.2265 k = 0.5000 0.2410 0.3058 ( 3052 PWs) bands (ev): -2.0685 -2.0685 -2.0683 -2.0683 -0.2104 -0.2104 -0.2076 -0.2076 3.3775 3.3775 3.3871 3.3871 4.7134 4.7134 4.7143 4.7143 6.4406 6.4406 6.4492 6.4492 6.7701 6.7701 6.8098 6.8098 7.2983 7.2983 7.3453 7.3453 7.6601 7.6601 7.6740 7.6740 7.7865 7.7865 7.8075 7.8075 8.6282 8.6282 8.6588 8.6588 10.6522 10.6522 10.6783 10.6783 12.1480 12.1480 12.2160 12.2160 k = 0.5000 0.2519 0.3058 ( 3048 PWs) bands (ev): -2.0472 -2.0472 -2.0469 -2.0469 -0.2286 -0.2286 -0.2260 -0.2260 3.3843 3.3843 3.3931 3.3931 4.6257 4.6257 4.6264 4.6264 6.4420 6.4420 6.4492 6.4492 6.7833 6.7833 6.8193 6.8193 7.3007 7.3007 7.3459 7.3459 7.6583 7.6583 7.6700 7.6700 7.7857 7.7857 7.8058 7.8058 8.6699 8.6699 8.6988 8.6988 10.7585 10.7585 10.7874 10.7874 12.1319 12.1319 12.2000 12.2000 k = 0.5000 0.2629 0.3058 ( 3044 PWs) bands (ev): -2.0265 -2.0265 -2.0262 -2.0262 -0.2467 -0.2467 -0.2443 -0.2443 3.3958 3.3958 3.4038 3.4038 4.5394 4.5394 4.5399 4.5399 6.4432 6.4432 6.4492 6.4492 6.7956 6.7956 6.8280 6.8280 7.3033 7.3033 7.3464 7.3464 7.6559 7.6559 7.6654 7.6654 7.7851 7.7851 7.8039 7.8039 8.7110 8.7110 8.7381 8.7381 10.8639 10.8639 10.8958 10.8958 12.1118 12.1118 12.1804 12.1804 k = 0.5000 0.2738 0.3058 ( 3056 PWs) bands (ev): -2.0066 -2.0066 -2.0063 -2.0063 -0.2644 -0.2644 -0.2623 -0.2623 3.4120 3.4120 3.4193 3.4193 4.4549 4.4549 4.4552 4.4552 6.4441 6.4441 6.4490 6.4490 6.8069 6.8069 6.8358 6.8358 7.3061 7.3061 7.3465 7.3465 7.6531 7.6531 7.6605 7.6605 7.7845 7.7845 7.8018 7.8018 8.7508 8.7508 8.7759 8.7759 10.9676 10.9676 11.0027 11.0027 12.0894 12.0894 12.1590 12.1590 k = 0.5000 0.2848 0.3058 ( 3048 PWs) bands (ev): -1.9878 -1.9878 -1.9875 -1.9875 -0.2815 -0.2815 -0.2796 -0.2796 3.4328 3.4328 3.4394 3.4394 4.3726 4.3726 4.3727 4.3727 6.4450 6.4450 6.4490 6.4490 6.8173 6.8173 6.8428 6.8428 7.3092 7.3092 7.3466 7.3466 7.6501 7.6501 7.6556 7.6556 7.7842 7.7842 7.7998 7.7998 8.7886 8.7886 8.8115 8.8115 11.0685 11.0685 11.1069 11.1069 12.0665 12.0665 12.1377 12.1377 k = 0.5000 0.2957 0.3058 ( 3044 PWs) bands (ev): -1.9703 -1.9703 -1.9701 -1.9701 -0.2976 -0.2976 -0.2960 -0.2960 3.4580 3.4580 3.4640 3.4640 4.2926 4.2926 4.2928 4.2928 6.4458 6.4458 6.4490 6.4490 6.8266 6.8266 6.8487 6.8487 7.3126 7.3126 7.3465 7.3465 7.6469 7.6469 7.6507 7.6507 7.7840 7.7840 7.7977 7.7977 8.8240 8.8240 8.8445 8.8445 11.1654 11.1654 11.2071 11.2071 12.0449 12.0449 12.1181 12.1181 k = 0.5000 0.3067 0.3058 ( 3048 PWs) bands (ev): -1.9545 -1.9545 -1.9543 -1.9543 -0.3124 -0.3124 -0.3110 -0.3110 3.4874 3.4874 3.4928 3.4928 4.2155 4.2155 4.2159 4.2159 6.4465 6.4465 6.4490 6.4490 6.8347 6.8347 6.8536 6.8536 7.3162 7.3162 7.3461 7.3461 7.6436 7.6436 7.6461 7.6461 7.7839 7.7839 7.7958 7.7958 8.8562 8.8562 8.8742 8.8742 11.2566 11.2566 11.3013 11.3013 12.0267 12.0267 12.1017 12.1017 k = 0.5000 0.3176 0.3058 ( 3052 PWs) bands (ev): -1.9405 -1.9405 -1.9404 -1.9404 -0.3256 -0.3256 -0.3244 -0.3244 3.5206 3.5206 3.5254 3.5254 4.1417 4.1417 4.1424 4.1424 6.4470 6.4470 6.4490 6.4490 6.8418 6.8418 6.8575 6.8575 7.3198 7.3198 7.3455 7.3455 7.6404 7.6404 7.6419 7.6419 7.7840 7.7840 7.7939 7.7939 8.8848 8.8848 8.9001 8.9001 11.3402 11.3402 11.3868 11.3868 12.0142 12.0142 12.0898 12.0898 k = 0.5000 0.3286 0.3058 ( 3052 PWs) bands (ev): -1.9287 -1.9287 -1.9286 -1.9286 -0.3368 -0.3368 -0.3359 -0.3359 3.5570 3.5570 3.5612 3.5612 4.0721 4.0721 4.0730 4.0730 6.4475 6.4475 6.4490 6.4490 6.8479 6.8479 6.8604 6.8604 7.3236 7.3236 7.3447 7.3447 7.6375 7.6375 7.6382 7.6382 7.7843 7.7843 7.7922 7.7922 8.9093 8.9093 8.9217 8.9217 11.4140 11.4140 11.4602 11.4602 12.0095 12.0095 12.0831 12.0831 k = 0.5000 0.3396 0.3058 ( 3060 PWs) bands (ev): -1.9193 -1.9193 -1.9192 -1.9192 -0.3459 -0.3459 -0.3452 -0.3452 3.5954 3.5954 3.5990 3.5990 4.0079 4.0079 4.0090 4.0090 6.4479 6.4479 6.4490 6.4490 6.8529 6.8529 6.8623 6.8623 7.3272 7.3272 7.3434 7.3434 7.6351 7.6351 7.6353 7.6353 7.7847 7.7847 7.7906 7.7906 8.9292 8.9292 8.9386 8.9386 11.4759 11.4759 11.5176 11.5176 12.0146 12.0146 12.0808 12.0808 k = 0.5000 0.3505 0.3058 ( 3056 PWs) bands (ev): -1.9124 -1.9124 -1.9123 -1.9123 -0.3524 -0.3524 -0.3520 -0.3520 3.6333 3.6333 3.6361 3.6361 3.9517 3.9517 3.9529 3.9529 6.4482 6.4482 6.4489 6.4489 6.8570 6.8570 6.8632 6.8632 7.3308 7.3308 7.3417 7.3417 7.6331 7.6331 7.6333 7.6333 7.7853 7.7853 7.7892 7.7892 8.9441 8.9441 8.9504 8.9504 11.5239 11.5239 11.5559 11.5559 12.0290 12.0290 12.0803 12.0803 k = 0.5000 0.3615 0.3058 ( 3048 PWs) bands (ev): -1.9082 -1.9082 -1.9081 -1.9081 -0.3564 -0.3564 -0.3562 -0.3562 3.6650 3.6650 3.6667 3.6667 3.9095 3.9095 3.9104 3.9104 6.4485 6.4485 6.4489 6.4489 6.8600 6.8600 6.8632 6.8632 7.3342 7.3342 7.3397 7.3397 7.6319 7.6319 7.6320 7.6320 7.7861 7.7861 7.7880 7.7880 8.9538 8.9538 8.9570 8.9570 11.5568 11.5568 11.5742 11.5742 12.0485 12.0485 12.0768 12.0768 k = 0.5000 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9068 -1.9068 -1.9067 -1.9067 -0.3577 -0.3577 -0.3577 -0.3577 3.6790 3.6790 3.6791 3.6791 3.8930 3.8930 3.8930 3.8930 6.4487 6.4487 6.4488 6.4488 6.8620 6.8620 6.8622 6.8622 7.3370 7.3370 7.3372 7.3372 7.6314 7.6314 7.6316 7.6316 7.7869 7.7869 7.7871 7.7871 8.9582 8.9582 8.9582 8.9582 11.5740 11.5740 11.5740 11.5740 12.0662 12.0662 12.0662 12.0662 k = 0.5000 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9068 -1.9068 -1.9067 -1.9067 -0.3577 -0.3577 -0.3577 -0.3577 3.6790 3.6790 3.6791 3.6791 3.8930 3.8930 3.8930 3.8930 6.4487 6.4487 6.4488 6.4488 6.8620 6.8620 6.8622 6.8622 7.3370 7.3370 7.3372 7.3372 7.6314 7.6314 7.6316 7.6316 7.7869 7.7869 7.7871 7.7871 8.9582 8.9582 8.9582 8.9582 11.5740 11.5740 11.5740 11.5740 12.0662 12.0662 12.0662 12.0662 k = 0.4889 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9079 -1.9079 -1.9079 -1.9079 -0.3602 -0.3602 -0.3601 -0.3601 3.6826 3.6826 3.6826 3.6826 3.8954 3.8954 3.8954 3.8954 6.4487 6.4487 6.4488 6.4488 6.8627 6.8627 6.8629 6.8629 7.3370 7.3370 7.3372 7.3372 7.6325 7.6325 7.6327 7.6327 7.7872 7.7872 7.7874 7.7874 8.9558 8.9558 8.9559 8.9559 11.5704 11.5704 11.5704 11.5704 12.0658 12.0658 12.0658 12.0658 k = 0.4778 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9112 -1.9112 -1.9112 -1.9112 -0.3676 -0.3676 -0.3675 -0.3675 3.6932 3.6932 3.6933 3.6933 3.9027 3.9027 3.9027 3.9027 6.4486 6.4486 6.4488 6.4488 6.8649 6.8649 6.8650 6.8650 7.3370 7.3370 7.3371 7.3371 7.6357 7.6357 7.6358 7.6358 7.7884 7.7884 7.7886 7.7886 8.9489 8.9489 8.9489 8.9489 11.5598 11.5598 11.5599 11.5599 12.0646 12.0646 12.0647 12.0647 k = 0.4667 0.3724 0.3058 ( 3056 PWs) bands (ev): -1.9168 -1.9168 -1.9168 -1.9168 -0.3797 -0.3797 -0.3797 -0.3797 3.7108 3.7108 3.7108 3.7108 3.9147 3.9147 3.9147 3.9147 6.4486 6.4486 6.4488 6.4488 6.8684 6.8684 6.8686 6.8686 7.3369 7.3369 7.3370 7.3370 7.6409 7.6409 7.6411 7.6411 7.7902 7.7902 7.7904 7.7904 8.9375 8.9375 8.9375 8.9375 11.5429 11.5429 11.5430 11.5430 12.0626 12.0626 12.0626 12.0626 k = 0.4556 0.3724 0.3058 ( 3052 PWs) bands (ev): -1.9245 -1.9245 -1.9245 -1.9245 -0.3965 -0.3965 -0.3965 -0.3965 3.7349 3.7349 3.7349 3.7349 3.9314 3.9314 3.9314 3.9314 6.4488 6.4488 6.4490 6.4490 6.8734 6.8734 6.8735 6.8735 7.3367 7.3367 7.3369 7.3369 7.6484 7.6484 7.6486 7.6486 7.7930 7.7930 7.7932 7.7932 8.9216 8.9216 8.9217 8.9217 11.5206 11.5206 11.5207 11.5207 12.0596 12.0596 12.0597 12.0597 k = 0.4444 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9343 -1.9343 -1.9343 -1.9343 -0.4177 -0.4177 -0.4177 -0.4177 3.7653 3.7653 3.7653 3.7653 3.9528 3.9528 3.9528 3.9528 6.4493 6.4493 6.4495 6.4495 6.8796 6.8796 6.8798 6.8798 7.3364 7.3364 7.3365 7.3365 7.6580 7.6580 7.6582 7.6582 7.7967 7.7967 7.7969 7.7969 8.9016 8.9016 8.9016 8.9016 11.4939 11.4939 11.4939 11.4939 12.0557 12.0557 12.0558 12.0558 k = 0.4333 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9461 -1.9461 -1.9461 -1.9461 -0.4429 -0.4429 -0.4429 -0.4429 3.8015 3.8015 3.8015 3.8015 3.9786 3.9786 3.9786 3.9786 6.4504 6.4504 6.4505 6.4505 6.8871 6.8871 6.8872 6.8872 7.3359 7.3359 7.3361 7.3361 7.6697 7.6697 7.6699 7.6699 7.8016 7.8016 7.8018 7.8018 8.8775 8.8775 8.8775 8.8775 11.4638 11.4638 11.4638 11.4638 12.0507 12.0507 12.0507 12.0507 k = 0.4222 0.3724 0.3058 ( 3052 PWs) bands (ev): -1.9599 -1.9599 -1.9598 -1.9598 -0.4719 -0.4719 -0.4719 -0.4719 3.8428 3.8428 3.8428 3.8428 4.0087 4.0087 4.0087 4.0087 6.4522 6.4522 6.4523 6.4523 6.8956 6.8956 6.8957 6.8957 7.3353 7.3353 7.3355 7.3355 7.6835 7.6835 7.6836 7.6836 7.8077 7.8077 7.8079 7.8079 8.8496 8.8496 8.8496 8.8496 11.4312 11.4312 11.4312 11.4312 12.0443 12.0443 12.0443 12.0443 k = 0.4111 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9754 -1.9754 -1.9753 -1.9753 -0.5042 -0.5042 -0.5042 -0.5042 3.8888 3.8888 3.8888 3.8888 4.0430 4.0430 4.0430 4.0430 6.4551 6.4551 6.4552 6.4552 6.9052 6.9052 6.9054 6.9054 7.3344 7.3344 7.3346 7.3346 7.6992 7.6992 7.6993 7.6993 7.8155 7.8155 7.8156 7.8156 8.8182 8.8182 8.8182 8.8182 11.3969 11.3969 11.3969 11.3969 12.0364 12.0364 12.0365 12.0365 k = 0.4000 0.3724 0.3058 ( 3052 PWs) bands (ev): -1.9925 -1.9925 -1.9925 -1.9925 -0.5396 -0.5396 -0.5396 -0.5396 3.9386 3.9386 3.9387 3.9387 4.0812 4.0812 4.0812 4.0812 6.4593 6.4593 6.4594 6.4594 6.9157 6.9157 6.9158 6.9158 7.3333 7.3333 7.3334 7.3334 7.7166 7.7166 7.7167 7.7167 7.8251 7.8251 7.8253 7.8253 8.7836 8.7836 8.7836 8.7836 11.3615 11.3615 11.3616 11.3616 12.0268 12.0268 12.0269 12.0269 k = 0.3889 0.3724 0.3058 ( 3048 PWs) bands (ev): -2.0112 -2.0112 -2.0112 -2.0112 -0.5775 -0.5775 -0.5775 -0.5775 3.9917 3.9917 3.9917 3.9917 4.1232 4.1232 4.1232 4.1232 6.4653 6.4653 6.4654 6.4654 6.9270 6.9270 6.9271 6.9271 7.3319 7.3319 7.3320 7.3320 7.7354 7.7354 7.7355 7.7355 7.8374 7.8374 7.8376 7.8376 8.7461 8.7461 8.7461 8.7461 11.3256 11.3256 11.3257 11.3257 12.0154 12.0154 12.0155 12.0155 k = 0.3778 0.3724 0.3058 ( 3048 PWs) bands (ev): -2.0313 -2.0313 -2.0313 -2.0313 -0.6177 -0.6177 -0.6177 -0.6177 4.0471 4.0471 4.0472 4.0472 4.1687 4.1687 4.1687 4.1687 6.4734 6.4734 6.4735 6.4735 6.9388 6.9388 6.9389 6.9389 7.3301 7.3301 7.3302 7.3302 7.7548 7.7548 7.7550 7.7550 7.8531 7.8531 7.8533 7.8533 8.7061 8.7061 8.7062 8.7062 11.2896 11.2896 11.2896 11.2896 12.0021 12.0021 12.0022 12.0022 k = 0.3667 0.3724 0.3058 ( 3052 PWs) bands (ev): -2.0526 -2.0526 -2.0526 -2.0526 -0.6597 -0.6597 -0.6597 -0.6597 4.1042 4.1042 4.1042 4.1042 4.2174 4.2174 4.2174 4.2174 6.4839 6.4839 6.4841 6.4841 6.9510 6.9510 6.9512 6.9512 7.3279 7.3279 7.3281 7.3281 7.7743 7.7743 7.7744 7.7744 7.8730 7.8730 7.8731 7.8731 8.6641 8.6641 8.6641 8.6641 11.2537 11.2537 11.2538 11.2538 11.9868 11.9868 11.9869 11.9869 k = 0.3556 0.3724 0.3058 ( 3044 PWs) bands (ev): -2.0750 -2.0750 -2.0750 -2.0750 -0.7033 -0.7033 -0.7032 -0.7032 4.1620 4.1620 4.1621 4.1621 4.2692 4.2692 4.2692 4.2692 6.4974 6.4974 6.4975 6.4975 6.9637 6.9637 6.9638 6.9638 7.3254 7.3254 7.3256 7.3256 7.7934 7.7934 7.7936 7.7936 7.8977 7.8977 7.8978 7.8978 8.6204 8.6204 8.6204 8.6204 11.2183 11.2183 11.2183 11.2183 11.9694 11.9694 11.9695 11.9695 k = 0.3444 0.3724 0.3058 ( 3036 PWs) bands (ev): -2.0984 -2.0984 -2.0983 -2.0983 -0.7480 -0.7480 -0.7479 -0.7479 4.2199 4.2199 4.2199 4.2199 4.3237 4.3237 4.3237 4.3237 6.5141 6.5141 6.5142 6.5142 6.9763 6.9763 6.9764 6.9764 7.3225 7.3225 7.3227 7.3227 7.8121 7.8121 7.8122 7.8122 7.9273 7.9273 7.9274 7.9274 8.5756 8.5756 8.5757 8.5757 11.1834 11.1834 11.1834 11.1834 11.9501 11.9501 11.9501 11.9501 k = 0.3333 0.3724 0.3058 ( 3040 PWs) bands (ev): -2.1225 -2.1225 -2.1225 -2.1225 -0.7935 -0.7935 -0.7934 -0.7934 4.2769 4.2769 4.2769 4.2769 4.3807 4.3807 4.3808 4.3808 6.5343 6.5343 6.5344 6.5344 6.9891 6.9891 6.9892 6.9892 7.3192 7.3192 7.3194 7.3194 7.8304 7.8304 7.8305 7.8305 7.9612 7.9612 7.9613 7.9613 8.5306 8.5306 8.5306 8.5306 11.1492 11.1492 11.1493 11.1493 11.9287 11.9287 11.9288 11.9288 k = 0.3222 0.3724 0.3058 ( 3044 PWs) bands (ev): -2.1473 -2.1473 -2.1472 -2.1472 -0.8396 -0.8396 -0.8395 -0.8395 4.3323 4.3323 4.3324 4.3324 4.4400 4.4400 4.4400 4.4400 6.5583 6.5583 6.5584 6.5584 7.0016 7.0016 7.0017 7.0017 7.3156 7.3156 7.3158 7.3158 7.8490 7.8490 7.8492 7.8492 7.9984 7.9984 7.9985 7.9985 8.4865 8.4865 8.4865 8.4865 11.1158 11.1158 11.1159 11.1159 11.9055 11.9055 11.9056 11.9056 k = 0.3111 0.3724 0.3058 ( 3040 PWs) bands (ev): -2.1725 -2.1725 -2.1725 -2.1725 -0.8859 -0.8859 -0.8859 -0.8859 4.3855 4.3855 4.3856 4.3856 4.5013 4.5013 4.5013 4.5013 6.5863 6.5863 6.5864 6.5864 7.0139 7.0139 7.0140 7.0140 7.3116 7.3116 7.3118 7.3118 7.8686 7.8686 7.8687 7.8687 8.0371 8.0371 8.0372 8.0372 8.4451 8.4451 8.4452 8.4452 11.0833 11.0833 11.0833 11.0833 11.8806 11.8806 11.8807 11.8807 k = 0.3000 0.3724 0.3058 ( 3044 PWs) bands (ev): -2.1981 -2.1981 -2.1981 -2.1981 -0.9323 -0.9323 -0.9322 -0.9322 4.4358 4.4358 4.4358 4.4358 4.5643 4.5643 4.5643 4.5643 6.6182 6.6182 6.6183 6.6183 7.0259 7.0259 7.0259 7.0259 7.3073 7.3073 7.3075 7.3075 7.8894 7.8894 7.8895 7.8895 8.0739 8.0739 8.0740 8.0740 8.4102 8.4102 8.4103 8.4103 11.0516 11.0516 11.0516 11.0516 11.8542 11.8542 11.8542 11.8542 k = 0.2889 0.3724 0.3058 ( 3048 PWs) bands (ev): -2.2240 -2.2240 -2.2239 -2.2239 -0.9784 -0.9784 -0.9783 -0.9783 4.4826 4.4826 4.4827 4.4827 4.6288 4.6288 4.6288 4.6288 6.6540 6.6540 6.6541 6.6541 7.0373 7.0373 7.0374 7.0374 7.3028 7.3028 7.3030 7.3030 7.9114 7.9114 7.9115 7.9115 8.1028 8.1028 8.1029 8.1029 8.3883 8.3883 8.3883 8.3883 11.0207 11.0207 11.0208 11.0208 11.8265 11.8265 11.8265 11.8265 k = 0.2778 0.3724 0.3058 ( 3052 PWs) bands (ev): -2.2498 -2.2498 -2.2498 -2.2498 -1.0241 -1.0241 -1.0240 -1.0240 4.5257 4.5257 4.5257 4.5257 4.6945 4.6945 4.6945 4.6945 6.6932 6.6932 6.6933 6.6933 7.0482 7.0482 7.0483 7.0483 7.2980 7.2980 7.2982 7.2982 7.9342 7.9342 7.9343 7.9343 8.1160 8.1160 8.1161 8.1161 8.3885 8.3885 8.3885 8.3885 10.9907 10.9907 10.9908 10.9908 11.7977 11.7977 11.7978 11.7978 k = 0.2667 0.3724 0.3058 ( 3044 PWs) bands (ev): -2.2756 -2.2756 -2.2756 -2.2756 -1.0691 -1.0691 -1.0691 -1.0691 4.5646 4.5646 4.5647 4.5647 4.7613 4.7613 4.7614 4.7614 6.7354 6.7354 6.7355 6.7355 7.0584 7.0584 7.0585 7.0585 7.2931 7.2931 7.2933 7.2933 7.9554 7.9554 7.9555 7.9555 8.1122 8.1122 8.1123 8.1123 8.4152 8.4152 8.4152 8.4152 10.9615 10.9615 10.9616 10.9616 11.7681 11.7681 11.7682 11.7682 k = 0.2556 0.3724 0.3058 ( 3036 PWs) bands (ev): -2.3013 -2.3013 -2.3013 -2.3013 -1.1134 -1.1134 -1.1133 -1.1133 4.5993 4.5993 4.5994 4.5994 4.8290 4.8290 4.8290 4.8290 6.7797 6.7797 6.7798 6.7798 7.0680 7.0680 7.0680 7.0680 7.2881 7.2881 7.2882 7.2882 7.9677 7.9677 7.9678 7.9678 8.1045 8.1045 8.1046 8.1046 8.4631 8.4631 8.4631 8.4631 10.9331 10.9331 10.9331 10.9331 11.7381 11.7381 11.7382 11.7382 k = 0.2444 0.3724 0.3058 ( 3028 PWs) bands (ev): -2.3266 -2.3266 -2.3266 -2.3266 -1.1566 -1.1566 -1.1566 -1.1566 4.6298 4.6298 4.6298 4.6298 4.8972 4.8972 4.8973 4.8973 6.8251 6.8251 6.8252 6.8252 7.0769 7.0769 7.0769 7.0769 7.2830 7.2830 7.2832 7.2832 7.9592 7.9592 7.9593 7.9593 8.1129 8.1129 8.1131 8.1131 8.5249 8.5249 8.5249 8.5249 10.9053 10.9053 10.9054 10.9054 11.7078 11.7078 11.7079 11.7079 k = 0.2333 0.3724 0.3058 ( 3032 PWs) bands (ev): -2.3515 -2.3515 -2.3515 -2.3515 -1.1988 -1.1988 -1.1987 -1.1987 4.6561 4.6561 4.6561 4.6561 4.9659 4.9659 4.9660 4.9660 6.8704 6.8704 6.8705 6.8705 7.0851 7.0851 7.0852 7.0852 7.2779 7.2779 7.2781 7.2781 7.9297 7.9297 7.9298 7.9298 8.1431 8.1431 8.1432 8.1432 8.5957 8.5957 8.5957 8.5957 10.8781 10.8781 10.8782 10.8782 11.6777 11.6777 11.6778 11.6778 k = 0.2222 0.3724 0.3058 ( 3028 PWs) bands (ev): -2.3759 -2.3759 -2.3759 -2.3759 -1.2397 -1.2397 -1.2396 -1.2396 4.6784 4.6784 4.6785 4.6785 5.0350 5.0350 5.0350 5.0350 6.9141 6.9141 6.9142 6.9142 7.0929 7.0929 7.0930 7.0930 7.2729 7.2729 7.2730 7.2730 7.8895 7.8895 7.8896 7.8896 8.1882 8.1882 8.1883 8.1883 8.6729 8.6729 8.6730 8.6730 10.8515 10.8515 10.8515 10.8515 11.6480 11.6480 11.6480 11.6480 k = 0.2111 0.3724 0.3058 ( 3032 PWs) bands (ev): -2.3997 -2.3997 -2.3997 -2.3997 -1.2792 -1.2792 -1.2792 -1.2792 4.6971 4.6971 4.6972 4.6972 5.1041 5.1041 5.1041 5.1041 6.9543 6.9543 6.9544 6.9544 7.1008 7.1008 7.1009 7.1009 7.2680 7.2680 7.2681 7.2681 7.8448 7.8448 7.8449 7.8449 8.2438 8.2438 8.2439 8.2439 8.7551 8.7551 8.7551 8.7551 10.8252 10.8252 10.8253 10.8253 11.6190 11.6190 11.6190 11.6190 k = 0.2000 0.3724 0.3058 ( 3032 PWs) bands (ev): -2.4228 -2.4228 -2.4228 -2.4228 -1.3172 -1.3172 -1.3172 -1.3172 4.7124 4.7124 4.7125 4.7125 5.1732 5.1732 5.1732 5.1732 6.9888 6.9888 6.9889 6.9889 7.1097 7.1097 7.1098 7.1098 7.2635 7.2635 7.2636 7.2636 7.7989 7.7989 7.7990 7.7990 8.3082 8.3082 8.3083 8.3083 8.8410 8.8410 8.8410 8.8410 10.7992 10.7992 10.7993 10.7993 11.5910 11.5910 11.5911 11.5911 k = 0.1889 0.3724 0.3058 ( 3024 PWs) bands (ev): -2.4451 -2.4451 -2.4451 -2.4451 -1.3537 -1.3537 -1.3536 -1.3536 4.7248 4.7248 4.7248 4.7248 5.2421 5.2421 5.2422 5.2422 7.0148 7.0148 7.0149 7.0149 7.1211 7.1211 7.1212 7.1212 7.2596 7.2596 7.2598 7.2598 7.7534 7.7534 7.7535 7.7535 8.3806 8.3806 8.3807 8.3807 8.9300 8.9300 8.9300 8.9300 10.7734 10.7734 10.7735 10.7735 11.5644 11.5644 11.5645 11.5645 k = 0.1778 0.3724 0.3058 ( 3020 PWs) bands (ev): -2.4665 -2.4665 -2.4665 -2.4665 -1.3884 -1.3884 -1.3884 -1.3884 4.7344 4.7344 4.7345 4.7345 5.3108 5.3108 5.3109 5.3109 7.0302 7.0302 7.0303 7.0303 7.1354 7.1354 7.1355 7.1355 7.2569 7.2569 7.2571 7.2571 7.7097 7.7097 7.7098 7.7098 8.4603 8.4603 8.4604 8.4604 9.0212 9.0212 9.0212 9.0212 10.7476 10.7476 10.7476 10.7476 11.5395 11.5395 11.5396 11.5396 k = 0.1667 0.3724 0.3058 ( 3020 PWs) bands (ev): -2.4870 -2.4870 -2.4870 -2.4870 -1.4214 -1.4214 -1.4214 -1.4214 4.7418 4.7418 4.7419 4.7419 5.3791 5.3791 5.3792 5.3792 7.0352 7.0352 7.0353 7.0353 7.1507 7.1507 7.1509 7.1509 7.2562 7.2562 7.2564 7.2564 7.6685 7.6685 7.6686 7.6686 8.5468 8.5468 8.5469 8.5469 9.1138 9.1138 9.1139 9.1139 10.7215 10.7215 10.7216 10.7216 11.5167 11.5167 11.5167 11.5167 k = 0.1556 0.3724 0.3058 ( 3000 PWs) bands (ev): -2.5064 -2.5064 -2.5064 -2.5064 -1.4526 -1.4526 -1.4526 -1.4526 4.7473 4.7473 4.7473 4.7473 5.4470 5.4470 5.4471 5.4471 7.0318 7.0318 7.0319 7.0319 7.1637 7.1637 7.1639 7.1639 7.2588 7.2588 7.2589 7.2589 7.6310 7.6310 7.6311 7.6311 8.6393 8.6393 8.6394 8.6394 9.2072 9.2072 9.2072 9.2072 10.6951 10.6951 10.6951 10.6951 11.4962 11.4962 11.4963 11.4963 k = 0.1444 0.3724 0.3058 ( 3012 PWs) bands (ev): -2.5248 -2.5248 -2.5248 -2.5248 -1.4819 -1.4819 -1.4819 -1.4819 4.7510 4.7510 4.7511 4.7511 5.5143 5.5143 5.5143 5.5143 7.0210 7.0210 7.0211 7.0211 7.1717 7.1717 7.1718 7.1718 7.2650 7.2650 7.2651 7.2651 7.5975 7.5975 7.5977 7.5977 8.7368 8.7368 8.7370 8.7370 9.3003 9.3003 9.3003 9.3003 10.6680 10.6680 10.6681 10.6681 11.4783 11.4783 11.4784 11.4784 k = 0.1333 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.5420 -2.5420 -2.5420 -2.5420 -1.5092 -1.5092 -1.5092 -1.5092 4.7534 4.7534 4.7535 4.7535 5.5808 5.5808 5.5809 5.5809 7.0037 7.0037 7.0038 7.0038 7.1747 7.1747 7.1749 7.1749 7.2743 7.2743 7.2744 7.2744 7.5690 7.5690 7.5691 7.5691 8.8385 8.8385 8.8386 8.8386 9.3923 9.3923 9.3923 9.3923 10.6401 10.6401 10.6402 10.6402 11.4634 11.4634 11.4635 11.4635 k = 0.1222 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.5581 -2.5581 -2.5580 -2.5580 -1.5346 -1.5346 -1.5345 -1.5345 4.7547 4.7547 4.7548 4.7548 5.6466 5.6466 5.6467 5.6467 6.9803 6.9803 6.9804 6.9804 7.1743 7.1743 7.1745 7.1745 7.2849 7.2849 7.2851 7.2851 7.5454 7.5454 7.5455 7.5455 8.9431 8.9431 8.9432 8.9432 9.4821 9.4821 9.4821 9.4821 10.6111 10.6111 10.6112 10.6112 11.4517 11.4517 11.4518 11.4518 k = 0.1111 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.5729 -2.5729 -2.5728 -2.5728 -1.5578 -1.5578 -1.5578 -1.5578 4.7552 4.7552 4.7552 4.7552 5.7115 5.7115 5.7115 5.7115 6.9513 6.9513 6.9514 6.9514 7.1721 7.1721 7.1722 7.1722 7.2954 7.2954 7.2956 7.2956 7.5266 7.5266 7.5267 7.5267 9.0496 9.0496 9.0497 9.0497 9.5686 9.5686 9.5686 9.5686 10.5807 10.5807 10.5808 10.5808 11.4434 11.4434 11.4435 11.4435 k = 0.1000 0.3724 0.3058 ( 3008 PWs) bands (ev): -2.5864 -2.5864 -2.5863 -2.5863 -1.5790 -1.5790 -1.5789 -1.5789 4.7550 4.7550 4.7551 4.7551 5.7753 5.7753 5.7754 5.7754 6.9174 6.9174 6.9174 6.9174 7.1691 7.1691 7.1693 7.1693 7.3050 7.3050 7.3051 7.3051 7.5122 7.5122 7.5124 7.5124 9.1570 9.1570 9.1571 9.1571 9.6506 9.6506 9.6506 9.6506 10.5487 10.5487 10.5487 10.5487 11.4386 11.4386 11.4387 11.4387 k = 0.0889 0.3724 0.3058 ( 3008 PWs) bands (ev): -2.5986 -2.5986 -2.5985 -2.5985 -1.5980 -1.5980 -1.5980 -1.5980 4.7544 4.7544 4.7545 4.7545 5.8378 5.8378 5.8378 5.8378 6.8793 6.8793 6.8794 6.8794 7.1659 7.1659 7.1661 7.1661 7.3132 7.3132 7.3133 7.3133 7.5016 7.5016 7.5018 7.5018 9.2639 9.2639 9.2640 9.2640 9.7270 9.7270 9.7270 9.7270 10.5147 10.5147 10.5147 10.5147 11.4372 11.4372 11.4372 11.4372 k = 0.0778 0.3724 0.3058 ( 3004 PWs) bands (ev): -2.6094 -2.6094 -2.6094 -2.6094 -1.6149 -1.6149 -1.6148 -1.6148 4.7535 4.7535 4.7536 4.7536 5.8987 5.8987 5.8987 5.8987 6.8383 6.8383 6.8384 6.8384 7.1629 7.1629 7.1631 7.1631 7.3200 7.3200 7.3201 7.3201 7.4941 7.4941 7.4942 7.4942 9.3694 9.3694 9.3695 9.3695 9.7964 9.7964 9.7964 9.7964 10.4785 10.4785 10.4785 10.4785 11.4390 11.4390 11.4390 11.4390 k = 0.0667 0.3724 0.3058 ( 3000 PWs) bands (ev): -2.6188 -2.6188 -2.6188 -2.6188 -1.6296 -1.6296 -1.6295 -1.6295 4.7524 4.7524 4.7525 4.7525 5.9574 5.9574 5.9575 5.9575 6.7954 6.7954 6.7955 6.7955 7.1602 7.1602 7.1604 7.1604 7.3255 7.3255 7.3257 7.3257 7.4890 7.4890 7.4891 7.4891 9.4723 9.4723 9.4724 9.4724 9.8577 9.8577 9.8578 9.8578 10.4401 10.4401 10.4401 10.4401 11.4435 11.4435 11.4436 11.4436 k = 0.0556 0.3724 0.3058 ( 3004 PWs) bands (ev): -2.6269 -2.6269 -2.6269 -2.6269 -1.6420 -1.6420 -1.6420 -1.6420 4.7513 4.7513 4.7514 4.7514 6.0134 6.0134 6.0135 6.0135 6.7519 6.7519 6.7520 6.7520 7.1578 7.1578 7.1579 7.1579 7.3299 7.3299 7.3300 7.3300 7.4856 7.4856 7.4857 7.4857 9.5714 9.5714 9.5714 9.5714 9.9097 9.9097 9.9097 9.9097 10.3995 10.3995 10.3996 10.3996 11.4500 11.4500 11.4501 11.4501 k = 0.0444 0.3724 0.3058 ( 3008 PWs) bands (ev): -2.6335 -2.6335 -2.6335 -2.6335 -1.6522 -1.6522 -1.6522 -1.6522 4.7503 4.7503 4.7504 4.7504 6.0655 6.0655 6.0656 6.0656 6.7095 6.7095 6.7095 6.7095 7.1558 7.1558 7.1559 7.1559 7.3332 7.3332 7.3334 7.3334 7.4834 7.4834 7.4835 7.4835 9.6653 9.6653 9.6654 9.6654 9.9509 9.9509 9.9509 9.9509 10.3576 10.3576 10.3577 10.3577 11.4576 11.4576 11.4577 11.4577 k = 0.0333 0.3724 0.3058 ( 3008 PWs) bands (ev): -2.6387 -2.6387 -2.6386 -2.6386 -1.6602 -1.6602 -1.6601 -1.6601 4.7495 4.7495 4.7495 4.7495 6.1119 6.1119 6.1120 6.1120 6.6702 6.6702 6.6702 6.6702 7.1542 7.1542 7.1544 7.1544 7.3357 7.3357 7.3358 7.3358 7.4821 7.4821 7.4822 7.4822 9.7525 9.7525 9.7526 9.7526 9.9794 9.9794 9.9794 9.9794 10.3160 10.3160 10.3161 10.3161 11.4652 11.4652 11.4653 11.4653 k = 0.0222 0.3724 0.3058 ( 3012 PWs) bands (ev): -2.6423 -2.6423 -2.6423 -2.6423 -1.6659 -1.6659 -1.6658 -1.6658 4.7488 4.7488 4.7488 4.7488 6.1499 6.1499 6.1500 6.1500 6.6371 6.6371 6.6371 6.6371 7.1531 7.1531 7.1532 7.1532 7.3374 7.3374 7.3375 7.3375 7.4813 7.4813 7.4814 7.4814 9.8308 9.8308 9.8309 9.8309 9.9925 9.9925 9.9926 9.9926 10.2785 10.2785 10.2785 10.2785 11.4716 11.4716 11.4717 11.4717 k = 0.0111 0.3724 0.3058 ( 3020 PWs) bands (ev): -2.6446 -2.6446 -2.6445 -2.6445 -1.6693 -1.6693 -1.6693 -1.6693 4.7483 4.7483 4.7484 4.7484 6.1756 6.1756 6.1757 6.1757 6.6143 6.6143 6.6143 6.6143 7.1524 7.1524 7.1525 7.1525 7.3384 7.3384 7.3385 7.3385 7.4808 7.4808 7.4809 7.4809 9.8963 9.8963 9.8964 9.8964 9.9871 9.9871 9.9871 9.9871 10.2512 10.2512 10.2512 10.2512 11.4759 11.4759 11.4760 11.4760 k = 0.0000 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.6453 -2.6453 -2.6453 -2.6453 -1.6704 -1.6704 -1.6704 -1.6704 4.7482 4.7482 4.7483 4.7483 6.1848 6.1848 6.1849 6.1849 6.6060 6.6060 6.6060 6.6060 7.1522 7.1522 7.1523 7.1523 7.3387 7.3387 7.3388 7.3388 7.4808 7.4808 7.4809 7.4809 9.9326 9.9326 9.9327 9.9327 9.9719 9.9719 9.9719 9.9719 10.2411 10.2411 10.2411 10.2411 11.4775 11.4775 11.4775 11.4775 k = 0.0000 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.6453 -2.6453 -2.6453 -2.6453 -1.6704 -1.6704 -1.6704 -1.6704 4.7482 4.7482 4.7483 4.7483 6.1848 6.1848 6.1849 6.1849 6.6060 6.6060 6.6060 6.6060 7.1522 7.1522 7.1523 7.1523 7.3387 7.3387 7.3388 7.3388 7.4808 7.4808 7.4809 7.4809 9.9326 9.9326 9.9327 9.9327 9.9719 9.9719 9.9719 9.9719 10.2411 10.2411 10.2411 10.2411 11.4775 11.4775 11.4775 11.4775 k = 0.0000 0.3615 0.3058 ( 3022 PWs) bands (ev): -2.6510 -2.6510 -2.6509 -2.6509 -1.6630 -1.6630 -1.6629 -1.6629 4.7469 4.7469 4.7469 4.7469 6.1852 6.1852 6.1853 6.1853 6.6053 6.6053 6.6053 6.6053 7.1538 7.1538 7.1540 7.1540 7.3389 7.3389 7.3390 7.3390 7.4805 7.4805 7.4806 7.4806 9.8886 9.8886 9.8886 9.8886 10.0070 10.0070 10.0070 10.0070 10.2385 10.2385 10.2386 10.2386 11.4841 11.4841 11.4842 11.4842 k = 0.0000 0.3505 0.3058 ( 3022 PWs) bands (ev): -2.6674 -2.6674 -2.6673 -2.6673 -1.6412 -1.6412 -1.6411 -1.6411 4.7429 4.7429 4.7430 4.7430 6.1865 6.1865 6.1866 6.1866 6.6029 6.6029 6.6030 6.6030 7.1585 7.1585 7.1587 7.1587 7.3395 7.3395 7.3396 7.3396 7.4799 7.4799 7.4800 7.4800 9.8219 9.8219 9.8220 9.8220 10.0454 10.0454 10.0455 10.0455 10.2328 10.2328 10.2329 10.2329 11.5037 11.5037 11.5037 11.5037 k = 0.0000 0.3396 0.3058 ( 3022 PWs) bands (ev): -2.6931 -2.6931 -2.6931 -2.6931 -1.6063 -1.6063 -1.6063 -1.6063 4.7364 4.7364 4.7365 4.7365 6.1887 6.1887 6.1889 6.1889 6.5991 6.5991 6.5992 6.5992 7.1659 7.1659 7.1660 7.1660 7.3408 7.3408 7.3409 7.3409 7.4791 7.4791 7.4792 7.4792 9.7469 9.7469 9.7469 9.7469 10.0687 10.0687 10.0688 10.0688 10.2298 10.2298 10.2298 10.2298 11.5352 11.5352 11.5353 11.5353 k = 0.0000 0.3286 0.3058 ( 3018 PWs) bands (ev): -2.7265 -2.7265 -2.7265 -2.7265 -1.5604 -1.5604 -1.5603 -1.5603 4.7274 4.7274 4.7275 4.7275 6.1919 6.1919 6.1920 6.1920 6.5939 6.5939 6.5939 6.5939 7.1750 7.1750 7.1752 7.1752 7.3432 7.3432 7.3433 7.3433 7.4780 7.4780 7.4781 7.4781 9.6648 9.6648 9.6648 9.6648 10.0701 10.0701 10.0701 10.0701 10.2371 10.2371 10.2371 10.2371 11.5775 11.5775 11.5776 11.5776 k = 0.0000 0.3176 0.3058 ( 3026 PWs) bands (ev): -2.7656 -2.7656 -2.7655 -2.7655 -1.5052 -1.5052 -1.5052 -1.5052 4.7161 4.7161 4.7162 4.7162 6.1958 6.1958 6.1959 6.1959 6.5872 6.5872 6.5872 6.5872 7.1848 7.1848 7.1850 7.1850 7.3473 7.3473 7.3474 7.3474 7.4770 7.4770 7.4771 7.4771 9.5764 9.5764 9.5764 9.5764 10.0504 10.0504 10.0505 10.0505 10.2556 10.2556 10.2557 10.2557 11.6289 11.6289 11.6290 11.6290 k = 0.0000 0.3067 0.3058 ( 3018 PWs) bands (ev): -2.8087 -2.8087 -2.8086 -2.8086 -1.4425 -1.4425 -1.4425 -1.4425 4.7027 4.7027 4.7027 4.7027 6.2007 6.2007 6.2008 6.2008 6.5791 6.5791 6.5791 6.5791 7.1939 7.1939 7.1940 7.1940 7.3537 7.3537 7.3538 7.3538 7.4765 7.4765 7.4766 7.4766 9.4825 9.4825 9.4825 9.4825 10.0170 10.0170 10.0170 10.0170 10.2802 10.2802 10.2803 10.2803 11.6881 11.6881 11.6882 11.6882 k = 0.0000 0.2957 0.3058 ( 3018 PWs) bands (ev): -2.8544 -2.8544 -2.8544 -2.8544 -1.3737 -1.3737 -1.3737 -1.3737 4.6873 4.6873 4.6873 4.6873 6.2064 6.2064 6.2065 6.2065 6.5695 6.5695 6.5695 6.5695 7.2006 7.2006 7.2007 7.2007 7.3624 7.3624 7.3625 7.3625 7.4774 7.4774 7.4775 7.4775 9.3840 9.3840 9.3841 9.3841 9.9756 9.9756 9.9757 9.9757 10.3070 10.3070 10.3071 10.3071 11.7537 11.7537 11.7538 11.7538 k = 0.0000 0.2848 0.3058 ( 3030 PWs) bands (ev): -2.9018 -2.9018 -2.9018 -2.9018 -1.3001 -1.3001 -1.3001 -1.3001 4.6701 4.6701 4.6701 4.6701 6.2128 6.2128 6.2129 6.2129 6.5584 6.5584 6.5585 6.5585 7.2042 7.2042 7.2043 7.2043 7.3727 7.3727 7.3728 7.3728 7.4810 7.4810 7.4811 7.4811 9.2820 9.2820 9.2820 9.2820 9.9296 9.9296 9.9296 9.9296 10.3342 10.3342 10.3343 10.3343 11.8246 11.8246 11.8246 11.8246 k = 0.0000 0.2738 0.3058 ( 3030 PWs) bands (ev): -2.9499 -2.9499 -2.9498 -2.9498 -1.2225 -1.2225 -1.2224 -1.2224 4.6514 4.6514 4.6514 4.6514 6.2200 6.2200 6.2202 6.2202 6.5458 6.5458 6.5458 6.5458 7.2043 7.2043 7.2044 7.2044 7.3823 7.3823 7.3824 7.3824 7.4895 7.4895 7.4896 7.4896 9.1776 9.1776 9.1776 9.1776 9.8810 9.8810 9.8810 9.8810 10.3614 10.3614 10.3615 10.3615 11.8997 11.8997 11.8998 11.8998 k = 0.0000 0.2629 0.3058 ( 3022 PWs) bands (ev): -2.9981 -2.9981 -2.9980 -2.9980 -1.1417 -1.1417 -1.1416 -1.1416 4.6313 4.6313 4.6314 4.6314 6.2281 6.2281 6.2282 6.2282 6.5313 6.5313 6.5314 6.5314 7.2011 7.2011 7.2012 7.2012 7.3887 7.3887 7.3888 7.3888 7.5049 7.5049 7.5050 7.5050 9.0719 9.0719 9.0720 9.0720 9.8310 9.8310 9.8310 9.8310 10.3886 10.3886 10.3887 10.3887 11.9783 11.9783 11.9784 11.9784 k = 0.0000 0.2519 0.3058 ( 3026 PWs) bands (ev): -3.0458 -3.0458 -3.0458 -3.0458 -1.0583 -1.0583 -1.0582 -1.0582 4.6102 4.6102 4.6103 4.6103 6.2368 6.2368 6.2369 6.2369 6.5148 6.5148 6.5149 6.5149 7.1949 7.1949 7.1950 7.1950 7.3904 7.3904 7.3906 7.3906 7.5275 7.5275 7.5275 7.5275 8.9663 8.9663 8.9663 8.9663 9.7805 9.7805 9.7805 9.7805 10.4159 10.4159 10.4160 10.4160 12.0596 12.0596 12.0596 12.0596 k = 0.0000 0.2410 0.3058 ( 3026 PWs) bands (ev): -3.0928 -3.0928 -3.0928 -3.0928 -0.9729 -0.9729 -0.9728 -0.9728 4.5882 4.5882 4.5882 4.5882 6.2461 6.2461 6.2463 6.2463 6.4961 6.4961 6.4961 6.4961 7.1862 7.1862 7.1863 7.1863 7.3883 7.3883 7.3884 7.3884 7.5558 7.5558 7.5558 7.5558 8.8619 8.8619 8.8620 8.8620 9.7301 9.7301 9.7302 9.7302 10.4436 10.4436 10.4436 10.4436 12.1429 12.1429 12.1430 12.1430 k = 0.0000 0.2300 0.3058 ( 3026 PWs) bands (ev): -3.1387 -3.1387 -3.1387 -3.1387 -0.8859 -0.8859 -0.8859 -0.8859 4.5654 4.5654 4.5655 4.5655 6.2561 6.2561 6.2562 6.2562 6.4747 6.4747 6.4748 6.4748 7.1755 7.1755 7.1756 7.1756 7.3832 7.3832 7.3833 7.3833 7.5879 7.5879 7.5880 7.5880 8.7601 8.7601 8.7602 8.7602 9.6804 9.6804 9.6805 9.6805 10.4717 10.4717 10.4718 10.4718 12.2278 12.2278 12.2279 12.2279 k = 0.0000 0.2191 0.3058 ( 3026 PWs) bands (ev): -3.1833 -3.1833 -3.1833 -3.1833 -0.7979 -0.7979 -0.7978 -0.7978 4.5422 4.5422 4.5422 4.5422 6.2664 6.2664 6.2666 6.2666 6.4506 6.4506 6.4506 6.4506 7.1631 7.1631 7.1632 7.1632 7.3760 7.3760 7.3761 7.3761 7.6223 7.6223 7.6224 7.6224 8.6622 8.6622 8.6622 8.6622 9.6318 9.6318 9.6318 9.6318 10.5006 10.5006 10.5007 10.5007 12.3137 12.3137 12.3137 12.3137 k = 0.0000 0.2081 0.3058 ( 3022 PWs) bands (ev): -3.2264 -3.2264 -3.2264 -3.2264 -0.7091 -0.7091 -0.7091 -0.7091 4.5186 4.5186 4.5186 4.5186 6.2771 6.2771 6.2772 6.2772 6.4234 6.4234 6.4235 6.4235 7.1493 7.1493 7.1494 7.1494 7.3672 7.3672 7.3674 7.3674 7.6576 7.6576 7.6577 7.6577 8.5693 8.5693 8.5694 8.5694 9.5845 9.5845 9.5845 9.5845 10.5305 10.5305 10.5305 10.5305 12.4000 12.4000 12.4001 12.4001 k = 0.0000 0.1972 0.3058 ( 3024 PWs) bands (ev): -3.2678 -3.2678 -3.2677 -3.2677 -0.6201 -0.6201 -0.6201 -0.6201 4.4949 4.4949 4.4949 4.4949 6.2872 6.2872 6.2873 6.2873 6.3934 6.3934 6.3935 6.3935 7.1345 7.1345 7.1346 7.1346 7.3574 7.3574 7.3575 7.3575 7.6927 7.6927 7.6927 7.6927 8.4828 8.4828 8.4828 8.4828 9.5388 9.5388 9.5388 9.5388 10.5613 10.5613 10.5614 10.5614 12.4863 12.4863 12.4864 12.4864 k = 0.0000 0.1862 0.3058 ( 3024 PWs) bands (ev): -3.3074 -3.3074 -3.3073 -3.3073 -0.5312 -0.5312 -0.5312 -0.5312 4.4711 4.4711 4.4711 4.4711 6.2950 6.2950 6.2951 6.2951 6.3624 6.3624 6.3624 6.3624 7.1191 7.1191 7.1192 7.1192 7.3465 7.3465 7.3467 7.3467 7.7264 7.7264 7.7265 7.7265 8.4038 8.4038 8.4039 8.4039 9.4949 9.4949 9.4949 9.4949 10.5933 10.5933 10.5934 10.5934 12.5722 12.5722 12.5722 12.5722 k = 0.0000 0.1753 0.3058 ( 3028 PWs) bands (ev): -3.3450 -3.3450 -3.3450 -3.3450 -0.4429 -0.4429 -0.4429 -0.4429 4.4475 4.4475 4.4475 4.4475 6.2904 6.2904 6.2904 6.2904 6.3401 6.3401 6.3402 6.3402 7.1033 7.1033 7.1034 7.1034 7.3350 7.3350 7.3351 7.3351 7.7577 7.7577 7.7577 7.7577 8.3337 8.3337 8.3338 8.3338 9.4530 9.4530 9.4530 9.4530 10.6265 10.6265 10.6265 10.6265 12.6570 12.6570 12.6571 12.6571 k = 0.0000 0.1643 0.3058 ( 3032 PWs) bands (ev): -3.3807 -3.3807 -3.3807 -3.3807 -0.3555 -0.3555 -0.3555 -0.3555 4.4241 4.4241 4.4241 4.4241 6.2597 6.2597 6.2598 6.2598 6.3401 6.3401 6.3402 6.3402 7.0875 7.0875 7.0876 7.0876 7.3228 7.3228 7.3229 7.3229 7.7850 7.7850 7.7850 7.7850 8.2737 8.2737 8.2738 8.2738 9.4131 9.4131 9.4131 9.4131 10.6607 10.6607 10.6608 10.6608 12.7403 12.7403 12.7404 12.7404 k = 0.0000 0.1533 0.3058 ( 3028 PWs) bands (ev): -3.4143 -3.4143 -3.4143 -3.4143 -0.2697 -0.2697 -0.2696 -0.2696 4.4011 4.4011 4.4012 4.4012 6.2161 6.2161 6.2161 6.2161 6.3497 6.3497 6.3498 6.3498 7.0722 7.0722 7.0723 7.0723 7.3102 7.3102 7.3103 7.3103 7.8067 7.8067 7.8068 7.8068 8.2253 8.2253 8.2254 8.2254 9.3755 9.3755 9.3755 9.3755 10.6960 10.6960 10.6961 10.6961 12.8215 12.8215 12.8215 12.8215 k = 0.0000 0.1424 0.3058 ( 3026 PWs) bands (ev): -3.4459 -3.4459 -3.4458 -3.4458 -0.1858 -0.1858 -0.1857 -0.1857 4.3787 4.3787 4.3787 4.3787 6.1670 6.1670 6.1670 6.1670 6.3615 6.3615 6.3617 6.3617 7.0576 7.0576 7.0577 7.0577 7.2973 7.2973 7.2975 7.2975 7.8211 7.8211 7.8212 7.8212 8.1898 8.1898 8.1898 8.1898 9.3402 9.3402 9.3403 9.3403 10.7323 10.7323 10.7323 10.7323 12.8997 12.8997 12.8997 12.8997 k = 0.0000 0.1314 0.3058 ( 3024 PWs) bands (ev): -3.4752 -3.4752 -3.4752 -3.4752 -0.1043 -0.1043 -0.1043 -0.1043 4.3569 4.3569 4.3569 4.3569 6.1148 6.1148 6.1148 6.1148 6.3741 6.3741 6.3742 6.3742 7.0439 7.0439 7.0440 7.0440 7.2843 7.2843 7.2845 7.2845 7.8270 7.8270 7.8271 7.8271 8.1678 8.1678 8.1679 8.1679 9.3074 9.3074 9.3074 9.3074 10.7692 10.7692 10.7692 10.7692 12.9738 12.9738 12.9739 12.9739 k = 0.0000 0.1205 0.3058 ( 3024 PWs) bands (ev): -3.5023 -3.5023 -3.5023 -3.5023 -0.0259 -0.0259 -0.0259 -0.0259 4.3358 4.3358 4.3358 4.3358 6.0608 6.0608 6.0608 6.0608 6.3868 6.3868 6.3869 6.3869 7.0313 7.0313 7.0314 7.0314 7.2714 7.2714 7.2715 7.2715 7.8246 7.8246 7.8247 7.8247 8.1585 8.1585 8.1586 8.1586 9.2770 9.2770 9.2770 9.2770 10.8065 10.8065 10.8065 10.8065 13.0419 13.0419 13.0420 13.0420 k = 0.0000 0.1095 0.3058 ( 3016 PWs) bands (ev): -3.5272 -3.5272 -3.5271 -3.5271 0.0488 0.0488 0.0488 0.0488 4.3156 4.3156 4.3156 4.3156 6.0062 6.0062 6.0062 6.0062 6.3995 6.3995 6.3996 6.3996 7.0199 7.0199 7.0200 7.0200 7.2586 7.2586 7.2588 7.2588 7.8158 7.8158 7.8159 7.8159 8.1593 8.1593 8.1594 8.1594 9.2491 9.2491 9.2491 9.2491 10.8437 10.8437 10.8438 10.8438 13.0992 13.0992 13.0992 13.0992 k = 0.0000 0.0986 0.3058 ( 3020 PWs) bands (ev): -3.5497 -3.5497 -3.5497 -3.5497 0.1193 0.1193 0.1193 0.1193 4.2964 4.2964 4.2964 4.2964 5.9522 5.9522 5.9522 5.9522 6.4117 6.4117 6.4118 6.4118 7.0098 7.0098 7.0099 7.0099 7.2462 7.2462 7.2464 7.2464 7.8032 7.8032 7.8033 7.8033 8.1669 8.1669 8.1669 8.1669 9.2238 9.2238 9.2238 9.2238 10.8806 10.8806 10.8806 10.8806 13.1333 13.1333 13.1333 13.1333 k = 0.0000 0.0876 0.3058 ( 3016 PWs) bands (ev): -3.5700 -3.5700 -3.5700 -3.5700 0.1848 0.1848 0.1848 0.1848 4.2785 4.2785 4.2785 4.2785 5.9001 5.9001 5.9001 5.9001 6.4234 6.4234 6.4235 6.4235 7.0009 7.0009 7.0010 7.0010 7.2344 7.2344 7.2345 7.2345 7.7891 7.7891 7.7893 7.7893 8.1782 8.1782 8.1783 8.1783 9.2011 9.2011 9.2011 9.2011 10.9164 10.9164 10.9164 10.9164 13.1330 13.1330 13.1330 13.1330 k = 0.0000 0.0767 0.3058 ( 3026 PWs) bands (ev): -3.5879 -3.5879 -3.5879 -3.5879 0.2447 0.2447 0.2448 0.2448 4.2618 4.2618 4.2619 4.2619 5.8509 5.8509 5.8510 5.8510 6.4343 6.4343 6.4344 6.4344 6.9933 6.9933 6.9934 6.9934 7.2232 7.2232 7.2234 7.2234 7.7752 7.7752 7.7753 7.7753 8.1911 8.1911 8.1912 8.1912 9.1810 9.1810 9.1810 9.1810 10.9505 10.9505 10.9505 10.9505 13.1127 13.1127 13.1127 13.1127 k = 0.0000 0.0657 0.3058 ( 3036 PWs) bands (ev): -3.6035 -3.6035 -3.6035 -3.6035 0.2984 0.2984 0.2984 0.2984 4.2468 4.2468 4.2468 4.2468 5.8060 5.8060 5.8060 5.8060 6.4443 6.4443 6.4444 6.4444 6.9868 6.9868 6.9869 6.9869 7.2130 7.2130 7.2132 7.2132 7.7622 7.7622 7.7623 7.7623 8.2041 8.2041 8.2042 8.2042 9.1636 9.1636 9.1636 9.1636 10.9823 10.9823 10.9823 10.9823 13.0871 13.0871 13.0871 13.0871 k = 0.0000 0.0548 0.3058 ( 3036 PWs) bands (ev): -3.6167 -3.6167 -3.6167 -3.6167 0.3452 0.3452 0.3452 0.3452 4.2336 4.2336 4.2336 4.2336 5.7661 5.7661 5.7662 5.7662 6.4531 6.4531 6.4533 6.4533 6.9815 6.9815 6.9816 6.9816 7.2040 7.2040 7.2042 7.2042 7.7509 7.7509 7.7511 7.7511 8.2162 8.2162 8.2163 8.2163 9.1488 9.1488 9.1488 9.1488 11.0110 11.0110 11.0110 11.0110 13.0617 13.0617 13.0617 13.0617 k = 0.0000 0.0438 0.3058 ( 3046 PWs) bands (ev): -3.6275 -3.6275 -3.6275 -3.6275 0.3844 0.3844 0.3844 0.3844 4.2224 4.2224 4.2224 4.2224 5.7323 5.7323 5.7324 5.7324 6.4606 6.4606 6.4607 6.4607 6.9772 6.9772 6.9774 6.9774 7.1962 7.1962 7.1964 7.1964 7.7416 7.7416 7.7417 7.7417 8.2268 8.2268 8.2268 8.2268 9.1367 9.1367 9.1367 9.1367 11.0358 11.0358 11.0359 11.0359 13.0388 13.0388 13.0388 13.0388 k = 0.0000 0.0329 0.3058 ( 3044 PWs) bands (ev): -3.6359 -3.6359 -3.6359 -3.6359 0.4156 0.4156 0.4156 0.4156 4.2134 4.2134 4.2134 4.2134 5.7053 5.7053 5.7054 5.7054 6.4666 6.4666 6.4668 6.4668 6.9740 6.9740 6.9741 6.9741 7.1900 7.1900 7.1902 7.1902 7.7343 7.7343 7.7344 7.7344 8.2353 8.2353 8.2354 8.2354 9.1273 9.1273 9.1273 9.1273 11.0561 11.0561 11.0561 11.0561 13.0199 13.0199 13.0199 13.0199 k = 0.0000 0.0219 0.3058 ( 3040 PWs) bands (ev): -3.6420 -3.6420 -3.6419 -3.6419 0.4382 0.4382 0.4382 0.4382 4.2068 4.2068 4.2069 4.2069 5.6855 5.6855 5.6856 5.6856 6.4711 6.4711 6.4713 6.4713 6.9718 6.9718 6.9719 6.9719 7.1855 7.1855 7.1857 7.1857 7.7290 7.7290 7.7292 7.7292 8.2416 8.2416 8.2417 8.2417 9.1206 9.1206 9.1206 9.1206 11.0711 11.0711 11.0711 11.0711 13.0057 13.0057 13.0057 13.0057 k = 0.0000 0.0110 0.3058 ( 3046 PWs) bands (ev): -3.6456 -3.6456 -3.6455 -3.6455 0.4519 0.4519 0.4519 0.4519 4.2028 4.2028 4.2029 4.2029 5.6735 5.6735 5.6736 5.6736 6.4738 6.4738 6.4739 6.4739 6.9704 6.9704 6.9705 6.9705 7.1827 7.1827 7.1829 7.1829 7.7259 7.7259 7.7261 7.7261 8.2454 8.2454 8.2455 8.2455 9.1165 9.1165 9.1165 9.1165 11.0803 11.0803 11.0803 11.0803 12.9970 12.9970 12.9970 12.9970 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6468 -3.6468 -3.6467 -3.6467 0.4565 0.4565 0.4565 0.4565 4.2015 4.2015 4.2015 4.2015 5.6695 5.6695 5.6696 5.6696 6.4748 6.4748 6.4749 6.4749 6.9700 6.9700 6.9701 6.9701 7.1818 7.1818 7.1820 7.1820 7.7249 7.7249 7.7251 7.7251 8.2467 8.2467 8.2468 8.2468 9.1152 9.1152 9.1152 9.1152 11.0834 11.0834 11.0835 11.0835 12.9940 12.9940 12.9940 12.9940 k = 0.0000 0.3724-0.0000 ( 3030 PWs) bands (ev): -3.1537 -3.1537 -3.1537 -3.1537 -0.6006 -0.6006 -0.6006 -0.6006 3.4153 3.4153 3.4153 3.4153 6.2653 6.2653 6.2655 6.2655 6.5528 6.5528 6.5530 6.5530 7.0754 7.0754 7.0756 7.0756 7.2909 7.2909 7.2911 7.2911 7.6594 7.6594 7.6595 7.6595 9.3182 9.3182 9.3182 9.3182 9.9907 9.9907 9.9907 9.9907 12.1448 12.1448 12.1448 12.1448 12.5429 12.5429 12.5429 12.5429 k = 0.0000 0.3724 0.0109 ( 3030 PWs) bands (ev): -3.1526 -3.1526 -3.1526 -3.1526 -0.6039 -0.6039 -0.6039 -0.6039 3.4195 3.4195 3.4195 3.4195 6.2650 6.2650 6.2651 6.2651 6.5521 6.5521 6.5522 6.5522 7.0764 7.0764 7.0766 7.0766 7.2915 7.2915 7.2916 7.2916 7.6596 7.6596 7.6598 7.6598 9.3172 9.3172 9.3172 9.3172 9.9911 9.9911 9.9911 9.9911 12.1424 12.1424 12.1424 12.1424 12.5312 12.5312 12.5313 12.5313 k = 0.0000 0.3724 0.0218 ( 3022 PWs) bands (ev): -3.1495 -3.1495 -3.1495 -3.1495 -0.6137 -0.6137 -0.6136 -0.6136 3.4321 3.4321 3.4321 3.4321 6.2641 6.2641 6.2643 6.2643 6.5500 6.5500 6.5501 6.5501 7.0793 7.0793 7.0795 7.0795 7.2932 7.2932 7.2934 7.2934 7.6605 7.6605 7.6607 7.6607 9.3141 9.3141 9.3141 9.3141 9.9924 9.9924 9.9924 9.9924 12.1353 12.1353 12.1353 12.1353 12.4985 12.4985 12.4986 12.4986 k = 0.0000 0.3724 0.0328 ( 3022 PWs) bands (ev): -3.1443 -3.1443 -3.1443 -3.1443 -0.6298 -0.6298 -0.6298 -0.6298 3.4529 3.4529 3.4529 3.4529 6.2627 6.2627 6.2629 6.2629 6.5464 6.5464 6.5466 6.5466 7.0839 7.0839 7.0840 7.0840 7.2960 7.2960 7.2962 7.2962 7.6618 7.6618 7.6620 7.6620 9.3090 9.3090 9.3090 9.3090 9.9945 9.9945 9.9945 9.9945 12.1234 12.1234 12.1234 12.1234 12.4498 12.4498 12.4498 12.4498 k = 0.0000 0.3724 0.0437 ( 3028 PWs) bands (ev): -3.1371 -3.1371 -3.1371 -3.1371 -0.6520 -0.6520 -0.6520 -0.6520 3.4815 3.4815 3.4815 3.4815 6.2608 6.2608 6.2609 6.2609 6.5417 6.5417 6.5419 6.5419 7.0900 7.0900 7.0902 7.0902 7.2998 7.2998 7.3000 7.3000 7.6634 7.6634 7.6636 7.6636 9.3022 9.3022 9.3022 9.3022 9.9974 9.9974 9.9974 9.9974 12.1067 12.1067 12.1067 12.1067 12.3896 12.3896 12.3896 12.3896 k = 0.0000 0.3724 0.0546 ( 3028 PWs) bands (ev): -3.1278 -3.1278 -3.1278 -3.1278 -0.6799 -0.6799 -0.6799 -0.6799 3.5176 3.5176 3.5176 3.5176 6.2583 6.2583 6.2585 6.2585 6.5362 6.5362 6.5363 6.5363 7.0974 7.0974 7.0976 7.0976 7.3046 7.3046 7.3048 7.3048 7.6653 7.6653 7.6655 7.6655 9.2941 9.2941 9.2941 9.2941 10.0012 10.0012 10.0012 10.0012 12.0848 12.0848 12.0849 12.0849 12.3215 12.3215 12.3216 12.3216 k = 0.0000 0.3724 0.0655 ( 3026 PWs) bands (ev): -3.1165 -3.1165 -3.1165 -3.1165 -0.7130 -0.7130 -0.7130 -0.7130 3.5605 3.5605 3.5605 3.5605 6.2554 6.2554 6.2556 6.2556 6.5300 6.5300 6.5302 6.5302 7.1058 7.1058 7.1059 7.1059 7.3103 7.3103 7.3105 7.3105 7.6672 7.6672 7.6674 7.6674 9.2849 9.2849 9.2850 9.2850 10.0058 10.0058 10.0058 10.0058 12.0572 12.0572 12.0573 12.0573 12.2486 12.2486 12.2486 12.2486 k = 0.0000 0.3724 0.0764 ( 3030 PWs) bands (ev): -3.1032 -3.1032 -3.1032 -3.1032 -0.7510 -0.7510 -0.7510 -0.7510 3.6098 3.6098 3.6098 3.6098 6.2521 6.2521 6.2523 6.2523 6.5234 6.5234 6.5236 6.5236 7.1149 7.1149 7.1151 7.1151 7.3169 7.3169 7.3171 7.3171 7.6688 7.6688 7.6689 7.6689 9.2754 9.2754 9.2754 9.2754 10.0112 10.0112 10.0113 10.0113 12.0219 12.0219 12.0220 12.0220 12.1742 12.1742 12.1742 12.1742 k = 0.0000 0.3724 0.0874 ( 3026 PWs) bands (ev): -3.0880 -3.0880 -3.0880 -3.0880 -0.7932 -0.7932 -0.7932 -0.7932 3.6647 3.6647 3.6647 3.6647 6.2485 6.2485 6.2486 6.2486 6.5168 6.5168 6.5170 6.5170 7.1245 7.1245 7.1246 7.1246 7.3243 7.3243 7.3244 7.3244 7.6698 7.6698 7.6699 7.6699 9.2659 9.2659 9.2659 9.2659 10.0175 10.0175 10.0175 10.0175 11.9748 11.9748 11.9748 11.9748 12.1038 12.1038 12.1039 12.1039 k = 0.0000 0.3724 0.0983 ( 3016 PWs) bands (ev): -3.0709 -3.0709 -3.0709 -3.0709 -0.8392 -0.8392 -0.8392 -0.8392 3.7246 3.7246 3.7246 3.7246 6.2445 6.2445 6.2447 6.2447 6.5105 6.5105 6.5106 6.5106 7.1342 7.1342 7.1343 7.1343 7.3322 7.3322 7.3324 7.3324 7.6698 7.6698 7.6699 7.6699 9.2573 9.2573 9.2573 9.2573 10.0244 10.0244 10.0244 10.0244 11.9106 11.9106 11.9106 11.9106 12.0437 12.0437 12.0438 12.0438 k = 0.0000 0.3724 0.1092 ( 3004 PWs) bands (ev): -3.0520 -3.0520 -3.0520 -3.0520 -0.8883 -0.8883 -0.8883 -0.8883 3.7887 3.7887 3.7887 3.7887 6.2404 6.2404 6.2406 6.2406 6.5046 6.5046 6.5047 6.5047 7.1438 7.1438 7.1440 7.1440 7.3408 7.3408 7.3410 7.3410 7.6683 7.6683 7.6685 7.6685 9.2502 9.2502 9.2502 9.2502 10.0321 10.0321 10.0321 10.0321 11.8300 11.8300 11.8301 11.8301 11.9942 11.9942 11.9942 11.9942 k = 0.0000 0.3724 0.1201 ( 3000 PWs) bands (ev): -3.0313 -3.0313 -3.0313 -3.0313 -0.9401 -0.9401 -0.9401 -0.9401 3.8563 3.8563 3.8563 3.8563 6.2361 6.2361 6.2362 6.2362 6.4994 6.4994 6.4995 6.4995 7.1531 7.1531 7.1533 7.1533 7.3497 7.3497 7.3498 7.3498 7.6650 7.6650 7.6651 7.6651 9.2454 9.2454 9.2454 9.2454 10.0405 10.0405 10.0405 10.0405 11.7388 11.7388 11.7389 11.7389 11.9505 11.9505 11.9506 11.9506 k = 0.0000 0.3724 0.1311 ( 3000 PWs) bands (ev): -3.0090 -3.0090 -3.0090 -3.0090 -0.9939 -0.9939 -0.9939 -0.9939 3.9265 3.9265 3.9266 3.9266 6.2316 6.2316 6.2317 6.2317 6.4951 6.4951 6.4952 6.4952 7.1620 7.1620 7.1621 7.1621 7.3587 7.3587 7.3588 7.3588 7.6593 7.6593 7.6594 7.6594 9.2437 9.2437 9.2437 9.2437 10.0494 10.0494 10.0495 10.0495 11.6413 11.6413 11.6413 11.6413 11.9092 11.9092 11.9093 11.9093 k = 0.0000 0.3724 0.1420 ( 3008 PWs) bands (ev): -2.9852 -2.9852 -2.9852 -2.9852 -1.0493 -1.0493 -1.0493 -1.0493 3.9987 3.9987 3.9987 3.9987 6.2270 6.2270 6.2272 6.2272 6.4920 6.4920 6.4921 6.4921 7.1702 7.1702 7.1703 7.1703 7.3677 7.3677 7.3679 7.3679 7.6507 7.6507 7.6509 7.6509 9.2459 9.2459 9.2460 9.2460 10.0590 10.0590 10.0590 10.0590 11.5397 11.5397 11.5398 11.5398 11.8689 11.8689 11.8690 11.8690 k = 0.0000 0.3724 0.1529 ( 3008 PWs) bands (ev): -2.9600 -2.9600 -2.9600 -2.9600 -1.1057 -1.1057 -1.1057 -1.1057 4.0719 4.0719 4.0719 4.0719 6.2225 6.2225 6.2227 6.2227 6.4904 6.4904 6.4904 6.4904 7.1777 7.1777 7.1778 7.1778 7.3767 7.3767 7.3769 7.3769 7.6392 7.6392 7.6393 7.6393 9.2528 9.2528 9.2528 9.2528 10.0690 10.0690 10.0690 10.0690 11.4355 11.4355 11.4355 11.4355 11.8292 11.8292 11.8292 11.8292 k = 0.0000 0.3724 0.1638 ( 3012 PWs) bands (ev): -2.9335 -2.9335 -2.9335 -2.9335 -1.1627 -1.1627 -1.1626 -1.1626 4.1454 4.1454 4.1454 4.1454 6.2181 6.2181 6.2182 6.2182 6.4903 6.4903 6.4904 6.4904 7.1844 7.1844 7.1845 7.1845 7.3854 7.3854 7.3856 7.3856 7.6243 7.6243 7.6245 7.6245 9.2649 9.2649 9.2650 9.2650 10.0793 10.0793 10.0793 10.0793 11.3294 11.3294 11.3295 11.3295 11.7899 11.7899 11.7900 11.7900 k = 0.0000 0.3724 0.1747 ( 3010 PWs) bands (ev): -2.9060 -2.9060 -2.9060 -2.9060 -1.2196 -1.2196 -1.2195 -1.2195 4.2183 4.2183 4.2183 4.2183 6.2137 6.2137 6.2139 6.2139 6.4921 6.4921 6.4921 6.4921 7.1901 7.1901 7.1902 7.1902 7.3936 7.3936 7.3938 7.3938 7.6064 7.6064 7.6065 7.6065 9.2828 9.2828 9.2829 9.2829 10.0898 10.0898 10.0899 10.0899 11.2222 11.2222 11.2222 11.2222 11.7515 11.7515 11.7515 11.7515 k = 0.0000 0.3724 0.1857 ( 3018 PWs) bands (ev): -2.8777 -2.8777 -2.8777 -2.8777 -1.2759 -1.2759 -1.2759 -1.2759 4.2898 4.2898 4.2898 4.2898 6.2095 6.2095 6.2096 6.2096 6.4957 6.4957 6.4958 6.4958 7.1947 7.1947 7.1948 7.1948 7.4009 7.4009 7.4011 7.4011 7.5855 7.5855 7.5856 7.5856 9.3069 9.3069 9.3070 9.3070 10.1004 10.1004 10.1005 10.1005 11.1143 11.1143 11.1144 11.1144 11.7141 11.7141 11.7141 11.7141 k = 0.0000 0.3724 0.1966 ( 3014 PWs) bands (ev): -2.8488 -2.8488 -2.8488 -2.8488 -1.3312 -1.3312 -1.3312 -1.3312 4.3590 4.3590 4.3590 4.3590 6.2056 6.2056 6.2057 6.2057 6.5015 6.5015 6.5015 6.5015 7.1981 7.1981 7.1983 7.1983 7.4070 7.4070 7.4072 7.4072 7.5625 7.5625 7.5627 7.5627 9.3374 9.3374 9.3374 9.3374 10.1109 10.1109 10.1110 10.1110 11.0065 11.0065 11.0065 11.0065 11.6781 11.6781 11.6782 11.6782 k = 0.0000 0.3724 0.2075 ( 3010 PWs) bands (ev): -2.8197 -2.8197 -2.8197 -2.8197 -1.3848 -1.3848 -1.3848 -1.3848 4.4251 4.4251 4.4251 4.4251 6.2019 6.2019 6.2020 6.2020 6.5093 6.5093 6.5094 6.5094 7.2002 7.2002 7.2003 7.2003 7.4112 7.4112 7.4113 7.4113 7.5387 7.5387 7.5389 7.5389 9.3743 9.3743 9.3743 9.3743 10.1210 10.1210 10.1211 10.1211 10.8991 10.8991 10.8991 10.8991 11.6439 11.6439 11.6440 11.6440 k = 0.0000 0.3724 0.2184 ( 3020 PWs) bands (ev): -2.7909 -2.7909 -2.7908 -2.7908 -1.4361 -1.4361 -1.4361 -1.4361 4.4871 4.4871 4.4871 4.4871 6.1984 6.1984 6.1986 6.1986 6.5192 6.5192 6.5192 6.5192 7.2005 7.2005 7.2006 7.2006 7.4121 7.4121 7.4122 7.4122 7.5161 7.5161 7.5163 7.5163 9.4175 9.4175 9.4175 9.4175 10.1305 10.1305 10.1305 10.1305 10.7927 10.7927 10.7928 10.7928 11.6119 11.6119 11.6120 11.6120 k = 0.0000 0.3724 0.2293 ( 3016 PWs) bands (ev): -2.7627 -2.7627 -2.7627 -2.7627 -1.4845 -1.4845 -1.4844 -1.4844 4.5442 4.5442 4.5443 4.5443 6.1954 6.1954 6.1955 6.1955 6.5309 6.5309 6.5309 6.5309 7.1989 7.1989 7.1990 7.1990 7.4079 7.4079 7.4080 7.4080 7.4979 7.4979 7.4980 7.4980 9.4670 9.4670 9.4670 9.4670 10.1387 10.1387 10.1388 10.1388 10.6881 10.6881 10.6881 10.6881 11.5825 11.5825 11.5825 11.5825 k = 0.0000 0.3724 0.2403 ( 3012 PWs) bands (ev): -2.7359 -2.7359 -2.7359 -2.7359 -1.5291 -1.5291 -1.5291 -1.5291 4.5957 4.5957 4.5957 4.5957 6.1927 6.1927 6.1928 6.1928 6.5441 6.5441 6.5441 6.5441 7.1951 7.1951 7.1952 7.1952 7.3975 7.3975 7.3976 7.3976 7.4864 7.4864 7.4865 7.4865 9.5223 9.5223 9.5224 9.5224 10.1452 10.1452 10.1453 10.1453 10.5861 10.5861 10.5861 10.5861 11.5560 11.5560 11.5561 11.5561 k = 0.0000 0.3724 0.2512 ( 3008 PWs) bands (ev): -2.7111 -2.7111 -2.7111 -2.7111 -1.5692 -1.5692 -1.5692 -1.5692 4.6407 4.6407 4.6408 4.6408 6.1903 6.1903 6.1905 6.1905 6.5582 6.5582 6.5582 6.5582 7.1887 7.1887 7.1889 7.1889 7.3828 7.3828 7.3830 7.3830 7.4811 7.4811 7.4812 7.4812 9.5832 9.5832 9.5833 9.5833 10.1487 10.1487 10.1487 10.1487 10.4881 10.4881 10.4882 10.4882 11.5329 11.5329 11.5329 11.5329 k = 0.0000 0.3724 0.2621 ( 3016 PWs) bands (ev): -2.6891 -2.6891 -2.6891 -2.6891 -1.6038 -1.6038 -1.6038 -1.6038 4.6785 4.6785 4.6786 4.6786 6.1883 6.1883 6.1884 6.1884 6.5724 6.5724 6.5724 6.5724 7.1802 7.1802 7.1803 7.1803 7.3677 7.3677 7.3678 7.3678 7.4795 7.4795 7.4796 7.4796 9.6493 9.6493 9.6493 9.6493 10.1464 10.1464 10.1464 10.1464 10.3972 10.3972 10.3973 10.3973 11.5134 11.5134 11.5134 11.5134 k = 0.0000 0.3724 0.2730 ( 3016 PWs) bands (ev): -2.6708 -2.6708 -2.6707 -2.6707 -1.6321 -1.6321 -1.6321 -1.6321 4.7086 4.7086 4.7087 4.7087 6.1868 6.1868 6.1869 6.1869 6.5855 6.5855 6.5855 6.5855 7.1705 7.1705 7.1706 7.1706 7.3550 7.3550 7.3551 7.3551 7.4796 7.4796 7.4797 7.4797 9.7199 9.7199 9.7199 9.7199 10.1318 10.1318 10.1318 10.1318 10.3204 10.3204 10.3204 10.3204 11.4979 11.4979 11.4979 11.4979 k = 0.0000 0.3724 0.2839 ( 3018 PWs) bands (ev): -2.6569 -2.6569 -2.6569 -2.6569 -1.6531 -1.6531 -1.6531 -1.6531 4.7305 4.7305 4.7306 4.7306 6.1856 6.1856 6.1858 6.1858 6.5963 6.5963 6.5964 6.5964 7.1612 7.1612 7.1614 7.1614 7.3458 7.3458 7.3460 7.3460 7.4801 7.4801 7.4802 7.4802 9.7943 9.7943 9.7943 9.7943 10.0935 10.0935 10.0936 10.0936 10.2695 10.2695 10.2695 10.2695 11.4866 11.4866 11.4867 11.4867 k = 0.0000 0.3724 0.2949 ( 3020 PWs) bands (ev): -2.6483 -2.6483 -2.6482 -2.6482 -1.6661 -1.6661 -1.6660 -1.6660 4.7437 4.7437 4.7438 4.7438 6.1850 6.1850 6.1851 6.1851 6.6035 6.6035 6.6035 6.6035 7.1546 7.1546 7.1547 7.1547 7.3405 7.3405 7.3406 7.3406 7.4806 7.4806 7.4807 7.4807 9.8709 9.8709 9.8709 9.8709 10.0308 10.0308 10.0308 10.0308 10.2468 10.2468 10.2468 10.2468 11.4798 11.4798 11.4798 11.4798 k = 0.0000 0.3724 0.3058 ( 3016 PWs) bands (ev): -2.6453 -2.6453 -2.6453 -2.6453 -1.6704 -1.6704 -1.6704 -1.6704 4.7482 4.7482 4.7483 4.7483 6.1848 6.1848 6.1849 6.1849 6.6060 6.6060 6.6060 6.6060 7.1522 7.1522 7.1523 7.1523 7.3387 7.3387 7.3388 7.3388 7.4808 7.4808 7.4809 7.4809 9.9326 9.9326 9.9327 9.9327 9.9719 9.9719 9.9719 9.9719 10.2411 10.2411 10.2411 10.2411 11.4775 11.4775 11.4775 11.4775 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3763 -2.3763 -2.3761 -2.3761 -0.0195 -0.0195 -0.0140 -0.0140 3.8482 3.8482 3.8818 3.8818 5.9685 5.9685 5.9820 5.9820 6.0869 6.0869 6.1147 6.1147 7.1450 7.1450 7.1952 7.1952 7.2216 7.2216 7.2573 7.2573 7.3451 7.3451 7.3598 7.3598 7.7429 7.7429 7.7715 7.7715 8.3819 8.3819 8.4064 8.4064 9.0475 9.0475 9.0901 9.0901 11.1782 11.1782 11.2237 11.2237 k = 0.5000-0.0000 0.2949 ( 3032 PWs) bands (ev): -2.3771 -2.3771 -2.3768 -2.3768 -0.0178 -0.0178 -0.0123 -0.0123 3.8489 3.8489 3.8824 3.8824 5.9625 5.9625 5.9729 5.9729 6.0950 6.0950 6.1197 6.1197 7.1397 7.1397 7.1921 7.1921 7.2149 7.2149 7.2554 7.2554 7.3519 7.3519 7.3692 7.3692 7.7429 7.7429 7.7713 7.7713 8.3721 8.3721 8.3974 8.3974 9.0563 9.0563 9.0978 9.0978 11.1793 11.1793 11.2249 11.2249 k = 0.5000-0.0000 0.2839 ( 3038 PWs) bands (ev): -2.3794 -2.3794 -2.3791 -2.3791 -0.0127 -0.0127 -0.0072 -0.0072 3.8508 3.8508 3.8842 3.8842 5.9467 5.9467 5.9511 5.9511 6.1140 6.1140 6.1326 6.1326 7.1258 7.1258 7.1803 7.1803 7.2021 7.2021 7.2501 7.2501 7.3703 7.3703 7.3927 7.3927 7.7428 7.7428 7.7708 7.7708 8.3447 8.3447 8.3721 8.3721 9.0809 9.0809 9.1196 9.1196 11.1828 11.1828 11.2285 11.2285 k = 0.5000-0.0000 0.2730 ( 3042 PWs) bands (ev): -2.3831 -2.3831 -2.3829 -2.3829 -0.0042 -0.0042 0.0013 0.0013 3.8540 3.8540 3.8871 3.8871 5.9235 5.9235 5.9249 5.9249 6.1367 6.1367 6.1495 6.1495 7.1067 7.1067 7.1584 7.1584 7.1911 7.1911 7.2414 7.2414 7.3961 7.3961 7.4234 7.4234 7.7428 7.7428 7.7700 7.7700 8.3044 8.3044 8.3343 8.3343 9.1177 9.1177 9.1525 9.1525 11.1885 11.1885 11.2343 11.2343 k = 0.5000-0.0000 0.2621 ( 3048 PWs) bands (ev): -2.3883 -2.3883 -2.3880 -2.3880 0.0074 0.0074 0.0129 0.0129 3.8586 3.8586 3.8912 3.8912 5.8936 5.8936 5.8997 5.8997 6.1599 6.1599 6.1678 6.1678 7.0850 7.0850 7.1318 7.1318 7.1796 7.1796 7.2290 7.2290 7.4261 7.4261 7.4571 7.4571 7.7429 7.7429 7.7688 7.7688 8.2564 8.2564 8.2884 8.2884 9.1624 9.1624 9.1929 9.1929 11.1963 11.1963 11.2422 11.2422 k = 0.5000-0.0000 0.2512 ( 3044 PWs) bands (ev): -2.3948 -2.3948 -2.3945 -2.3945 0.0221 0.0221 0.0276 0.0276 3.8645 3.8645 3.8966 3.8966 5.8625 5.8625 5.8728 5.8728 6.1820 6.1820 6.1858 6.1858 7.0622 7.0622 7.1033 7.1033 7.1661 7.1661 7.2127 7.2127 7.4581 7.4581 7.4917 7.4917 7.7434 7.7434 7.7672 7.7672 8.2059 8.2059 8.2388 8.2388 9.2120 9.2120 9.2383 9.2383 11.2058 11.2058 11.2520 11.2520 k = 0.5000-0.0000 0.2403 ( 3036 PWs) bands (ev): -2.4024 -2.4024 -2.4021 -2.4021 0.0397 0.0397 0.0451 0.0451 3.8717 3.8717 3.9032 3.9032 5.8310 5.8310 5.8450 5.8450 6.2023 6.2023 6.2023 6.2023 7.0385 7.0385 7.0729 7.0729 7.1507 7.1507 7.1922 7.1922 7.4904 7.4904 7.5255 7.5255 7.7446 7.7446 7.7652 7.7652 8.1573 8.1573 8.1896 8.1896 9.2642 9.2642 9.2865 9.2865 11.2169 11.2169 11.2633 11.2633 k = 0.5000-0.0000 0.2293 ( 3036 PWs) bands (ev): -2.4111 -2.4111 -2.4108 -2.4108 0.0600 0.0600 0.0653 0.0653 3.8803 3.8803 3.9110 3.9110 5.7996 5.7996 5.8169 5.8169 6.2169 6.2169 6.2203 6.2203 7.0129 7.0129 7.0392 7.0392 7.1341 7.1341 7.1679 7.1679 7.5218 7.5218 7.5570 7.5570 7.7471 7.7471 7.7628 7.7628 8.1142 8.1142 8.1438 8.1438 9.3177 9.3177 9.3364 9.3364 11.2293 11.2293 11.2757 11.2757 k = 0.5000-0.0000 0.2184 ( 3040 PWs) bands (ev): -2.4207 -2.4207 -2.4204 -2.4204 0.0825 0.0825 0.0878 0.0878 3.8904 3.8904 3.9202 3.9202 5.7684 5.7684 5.7891 5.7891 6.2292 6.2292 6.2357 6.2357 6.9831 6.9831 7.0004 7.0004 7.1180 7.1180 7.1417 7.1417 7.5510 7.5510 7.5847 7.5847 7.7513 7.7513 7.7603 7.7603 8.0795 8.0795 8.1044 8.1044 9.3719 9.3719 9.3872 9.3872 11.2425 11.2425 11.2891 11.2891 k = 0.5000-0.0000 0.2075 ( 3032 PWs) bands (ev): -2.4310 -2.4310 -2.4308 -2.4308 0.1072 0.1072 0.1123 0.1123 3.9019 3.9019 3.9307 3.9307 5.7379 5.7379 5.7616 5.7616 6.2389 6.2389 6.2483 6.2483 6.9458 6.9458 6.9545 6.9545 7.1039 7.1039 7.1168 7.1168 7.5769 7.5769 7.6070 7.6070 7.7579 7.7579 7.7582 7.7582 8.0550 8.0550 8.0738 8.0738 9.4264 9.4264 9.4387 9.4387 11.2563 11.2563 11.3029 11.3029 k = 0.5000-0.0000 0.1966 ( 3032 PWs) bands (ev): -2.4420 -2.4420 -2.4417 -2.4417 0.1336 0.1336 0.1386 0.1386 3.9148 3.9148 3.9425 3.9425 5.7080 5.7080 5.7348 5.7348 6.2459 6.2459 6.2580 6.2580 6.8979 6.8979 6.9006 6.9006 7.0927 7.0927 7.0963 7.0963 7.5988 7.5988 7.6236 7.6236 7.7570 7.7570 7.7664 7.7664 8.0415 8.0415 8.0535 8.0535 9.4811 9.4811 9.4909 9.4909 11.2701 11.2701 11.3167 11.3167 k = 0.5000-0.0000 0.1857 ( 3032 PWs) bands (ev): -2.4533 -2.4533 -2.4531 -2.4531 0.1614 0.1614 0.1663 0.1663 3.9292 3.9292 3.9557 3.9557 5.6790 5.6790 5.7088 5.7088 6.2504 6.2504 6.2649 6.2649 6.8386 6.8386 6.8388 6.8388 7.0818 7.0818 7.0846 7.0846 7.6163 7.6163 7.6350 7.6350 7.7571 7.7571 7.7755 7.7755 8.0383 8.0383 8.0443 8.0443 9.5362 9.5362 9.5437 9.5437 11.2837 11.2837 11.3300 11.3300 k = 0.5000-0.0000 0.1747 ( 3028 PWs) bands (ev): -2.4649 -2.4649 -2.4647 -2.4647 0.1902 0.1902 0.1951 0.1951 3.9452 3.9452 3.9703 3.9703 5.6510 5.6510 5.6837 5.6837 6.2523 6.2523 6.2691 6.2691 6.7696 6.7696 6.7700 6.7700 7.0727 7.0727 7.0794 7.0794 7.6301 7.6301 7.6428 7.6428 7.7586 7.7586 7.7835 7.7835 8.0443 8.0443 8.0458 8.0458 9.5919 9.5919 9.5976 9.5976 11.2963 11.2963 11.3423 11.3423 k = 0.5000-0.0000 0.1638 ( 3024 PWs) bands (ev): -2.4767 -2.4767 -2.4764 -2.4764 0.2198 0.2198 0.2245 0.2245 3.9626 3.9626 3.9863 3.9863 5.6240 5.6240 5.6598 5.6598 6.2518 6.2518 6.2709 6.2709 6.6933 6.6933 6.6956 6.6956 7.0680 7.0680 7.0769 7.0769 7.6410 7.6410 7.6488 7.6488 7.7609 7.7609 7.7893 7.7893 8.0565 8.0565 8.0575 8.0575 9.6485 9.6485 9.6526 9.6526 11.3076 11.3076 11.3531 11.3531 k = 0.5000-0.0000 0.1529 ( 3028 PWs) bands (ev): -2.4883 -2.4883 -2.4881 -2.4881 0.2498 0.2498 0.2543 0.2543 3.9814 3.9814 4.0036 4.0036 5.5982 5.5982 5.6370 5.6370 6.2489 6.2489 6.2706 6.2706 6.6122 6.6122 6.6170 6.6170 7.0665 7.0665 7.0763 7.0763 7.6503 7.6503 7.6540 7.6540 7.7637 7.7637 7.7931 7.7931 8.0741 8.0741 8.0761 8.0761 9.7062 9.7062 9.7091 9.7091 11.3167 11.3167 11.3615 11.3615 k = 0.5000-0.0000 0.1420 ( 3024 PWs) bands (ev): -2.4998 -2.4998 -2.4996 -2.4996 0.2797 0.2797 0.2840 0.2840 4.0016 4.0016 4.0222 4.0222 5.5737 5.5737 5.6155 5.6155 6.2435 6.2435 6.2683 6.2683 6.5292 6.5292 6.5359 6.5359 7.0673 7.0673 7.0774 7.0774 7.6588 7.6588 7.6594 7.6594 7.7665 7.7665 7.7954 7.7954 8.0962 8.0962 8.0983 8.0983 9.7654 9.7654 9.7674 9.7674 11.3229 11.3229 11.3666 11.3666 k = 0.5000-0.0000 0.1311 ( 3024 PWs) bands (ev): -2.5110 -2.5110 -2.5108 -2.5108 0.3093 0.3093 0.3134 0.3134 4.0231 4.0231 4.0420 4.0420 5.5505 5.5505 5.5953 5.5953 6.2347 6.2347 6.2642 6.2642 6.4471 6.4471 6.4539 6.4539 7.0696 7.0696 7.0796 7.0796 7.6651 7.6651 7.6670 7.6670 7.7692 7.7692 7.7968 7.7968 8.1207 8.1207 8.1224 8.1224 9.8263 9.8263 9.8276 9.8276 11.3253 11.3253 11.3676 11.3676 k = 0.5000-0.0000 0.1201 ( 3024 PWs) bands (ev): -2.5217 -2.5217 -2.5215 -2.5215 0.3382 0.3382 0.3420 0.3420 4.0458 4.0458 4.0628 4.0628 5.5288 5.5288 5.5764 5.5764 6.2194 6.2194 6.2577 6.2577 6.3710 6.3710 6.3735 6.3735 7.0731 7.0731 7.0827 7.0827 7.6711 7.6711 7.6751 7.6751 7.7718 7.7718 7.7978 7.7978 8.1461 8.1461 8.1473 8.1473 9.8891 9.8891 9.8899 9.8899 11.3228 11.3228 11.3633 11.3633 k = 0.5000-0.0000 0.1092 ( 3036 PWs) bands (ev): -2.5319 -2.5319 -2.5317 -2.5317 0.3659 0.3659 0.3695 0.3695 4.0693 4.0693 4.0845 4.0845 5.5086 5.5086 5.5589 5.5589 6.1893 6.1893 6.2435 6.2435 6.3014 6.3014 6.3107 6.3107 7.0771 7.0771 7.0861 7.0861 7.6776 7.6776 7.6831 7.6831 7.7744 7.7744 7.7985 7.7985 8.1712 8.1712 8.1719 8.1719 9.9539 9.9539 9.9543 9.9543 11.3143 11.3143 11.3525 11.3525 k = 0.5000-0.0000 0.0983 ( 3036 PWs) bands (ev): -2.5414 -2.5414 -2.5413 -2.5413 0.3922 0.3922 0.3955 0.3955 4.0934 4.0934 4.1068 4.1068 5.4900 5.4900 5.5427 5.5427 6.1369 6.1369 6.1958 6.1958 6.2650 6.2650 6.2756 6.2756 7.0815 7.0815 7.0898 7.0898 7.6842 7.6842 7.6908 7.6908 7.7770 7.7770 7.7993 7.7993 8.1952 8.1952 8.1956 8.1956 10.0208 10.0208 10.0209 10.0209 11.2990 11.2990 11.3343 11.3343 k = 0.5000-0.0000 0.0874 ( 3040 PWs) bands (ev): -2.5502 -2.5502 -2.5500 -2.5500 0.4168 0.4168 0.4198 0.4198 4.1178 4.1178 4.1294 4.1294 5.4732 5.4732 5.5276 5.5276 6.0717 6.0717 6.1265 6.1265 6.2538 6.2538 6.2578 6.2578 7.0859 7.0859 7.0934 7.0934 7.6907 7.6907 7.6981 7.6981 7.7797 7.7797 7.8002 7.8002 8.2177 8.2177 8.2178 8.2178 10.0896 10.0896 10.0896 10.0896 11.2758 11.2758 11.3078 11.3078 k = 0.5000-0.0000 0.0764 ( 3040 PWs) bands (ev): -2.5581 -2.5581 -2.5579 -2.5579 0.4393 0.4393 0.4420 0.4420 4.1420 4.1420 4.1517 4.1517 5.4584 5.4584 5.5137 5.5137 6.0052 6.0052 6.0578 6.0578 6.2468 6.2468 6.2472 6.2472 7.0901 7.0901 7.0968 7.0968 7.6970 7.6970 7.7046 7.7046 7.7826 7.7826 7.8011 7.8011 8.2380 8.2380 8.2381 8.2381 10.1601 10.1601 10.1601 10.1601 11.2445 11.2445 11.2726 11.2726 k = 0.5000-0.0000 0.0655 ( 3032 PWs) bands (ev): -2.5651 -2.5651 -2.5650 -2.5650 0.4594 0.4594 0.4618 0.4618 4.1653 4.1653 4.1732 4.1732 5.4457 5.4457 5.5005 5.5005 5.9431 5.9431 5.9939 5.9939 6.2398 6.2398 6.2411 6.2411 7.0941 7.0941 7.0999 7.0999 7.7030 7.7030 7.7103 7.7103 7.7857 7.7857 7.8021 7.8021 8.2560 8.2560 8.2561 8.2561 10.2318 10.2318 10.2320 10.2320 11.2051 11.2051 11.2291 11.2291 k = 0.5000-0.0000 0.0546 ( 3036 PWs) bands (ev): -2.5711 -2.5711 -2.5710 -2.5710 0.4770 0.4770 0.4790 0.4790 4.1871 4.1871 4.1933 4.1933 5.4355 5.4355 5.4879 5.4879 5.8882 5.8882 5.9362 5.9362 6.2342 6.2342 6.2361 6.2361 7.0976 7.0976 7.1025 7.1025 7.7082 7.7082 7.7150 7.7150 7.7890 7.7890 7.8029 7.8029 8.2714 8.2714 8.2716 8.2716 10.3040 10.3040 10.3043 10.3043 11.1586 11.1586 11.1785 11.1785 k = 0.5000-0.0000 0.0437 ( 3036 PWs) bands (ev): -2.5761 -2.5761 -2.5760 -2.5760 0.4917 0.4917 0.4933 0.4933 4.2065 4.2065 4.2113 4.2113 5.4281 5.4281 5.4756 5.4756 5.8426 5.8426 5.8860 5.8860 6.2299 6.2299 6.2320 6.2320 7.1007 7.1007 7.1046 7.1046 7.7127 7.7127 7.7186 7.7186 7.7922 7.7922 7.8036 7.8036 8.2843 8.2843 8.2844 8.2844 10.3753 10.3753 10.3758 10.3758 11.1069 11.1069 11.1227 11.1227 k = 0.5000-0.0000 0.0328 ( 3036 PWs) bands (ev): -2.5800 -2.5800 -2.5800 -2.5800 0.5034 0.5034 0.5046 0.5046 4.2229 4.2229 4.2262 4.2262 5.4238 5.4238 5.4634 5.4634 5.8080 5.8080 5.8441 5.8441 6.2268 6.2268 6.2286 6.2286 7.1032 7.1032 7.1061 7.1061 7.7165 7.7165 7.7211 7.7211 7.7953 7.7953 7.8040 7.8040 8.2944 8.2944 8.2945 8.2945 10.4434 10.4434 10.4442 10.4442 11.0530 11.0530 11.0650 11.0650 k = 0.5000-0.0000 0.0218 ( 3032 PWs) bands (ev): -2.5828 -2.5828 -2.5828 -2.5828 0.5119 0.5119 0.5127 0.5127 4.2354 4.2354 4.2375 4.2375 5.4230 5.4230 5.4516 5.4516 5.7852 5.7852 5.8113 5.8113 6.2247 6.2247 6.2260 6.2260 7.1051 7.1051 7.1071 7.1071 7.7195 7.7195 7.7227 7.7227 7.7982 7.7982 7.8040 7.8040 8.3016 8.3016 8.3017 8.3017 10.5041 10.5041 10.5050 10.5050 11.0023 11.0023 11.0105 11.0105 k = 0.5000-0.0000 0.0109 ( 3042 PWs) bands (ev): -2.5845 -2.5845 -2.5845 -2.5845 0.5172 0.5172 0.5176 0.5176 4.2433 4.2433 4.2443 4.2443 5.4257 5.4257 5.4407 5.4407 5.7745 5.7745 5.7882 5.7882 6.2235 6.2235 6.2242 6.2242 7.1065 7.1065 7.1075 7.1075 7.7216 7.7216 7.7232 7.7232 7.8005 7.8005 7.8034 7.8034 8.3060 8.3060 8.3061 8.3061 10.5493 10.5493 10.5500 10.5500 10.9637 10.9637 10.9680 10.9680 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5851 -2.5851 -2.5851 -2.5851 0.5190 0.5190 0.5191 0.5191 4.2463 4.2463 4.2464 4.2464 5.4318 5.4318 5.4319 5.4319 5.7757 5.7757 5.7757 5.7757 6.2234 6.2234 6.2235 6.2235 7.1072 7.1072 7.1073 7.1073 7.7228 7.7228 7.7230 7.7230 7.8022 7.8022 7.8024 7.8024 8.3075 8.3075 8.3075 8.3075 10.5671 10.5671 10.5672 10.5672 10.9499 10.9499 10.9499 10.9499 k = 0.5000 0.3724-0.0000 ( 3068 PWs) bands (ev): -2.0772 -2.0772 -2.0751 -2.0751 -0.2845 -0.2845 -0.2765 -0.2765 4.7110 4.7110 4.7560 4.7560 4.8951 4.8951 4.9617 4.9617 5.5953 5.5953 5.6964 5.6964 6.4753 6.4753 6.4976 6.4976 6.5870 6.5870 6.7183 6.7183 7.3959 7.3959 7.4302 7.4302 7.6729 7.6729 7.7141 7.7141 7.8510 7.8510 7.8541 7.8541 9.6977 9.6977 9.7241 9.7241 13.4869 13.4869 13.5443 13.5443 k = 0.5000 0.3724 0.0109 ( 3060 PWs) bands (ev): -2.0767 -2.0767 -2.0746 -2.0746 -0.2847 -0.2847 -0.2767 -0.2767 4.7074 4.7074 4.7523 4.7523 4.8822 4.8822 4.9449 4.9449 5.6146 5.6146 5.7120 5.7120 6.4750 6.4750 6.4954 6.4954 6.5913 6.5913 6.7200 6.7200 7.3969 7.3969 7.4307 7.4307 7.6740 7.6740 7.7147 7.7147 7.8519 7.8519 7.8549 7.8549 9.7004 9.7004 9.7267 9.7267 13.4848 13.4848 13.5423 13.5423 k = 0.5000 0.3724 0.0218 ( 3060 PWs) bands (ev): -2.0752 -2.0752 -2.0732 -2.0732 -0.2852 -0.2852 -0.2772 -0.2772 4.6965 4.6965 4.7412 4.7412 4.8464 4.8464 4.8998 4.8998 5.6672 5.6672 5.7558 5.7558 6.4741 6.4741 6.4899 6.4899 6.6027 6.6027 6.7247 6.7247 7.3998 7.3998 7.4318 7.4318 7.6772 7.6772 7.7165 7.7165 7.8547 7.8547 7.8573 7.8573 9.7088 9.7088 9.7345 9.7345 13.4787 13.4787 13.5364 13.5364 k = 0.5000 0.3724 0.0328 ( 3056 PWs) bands (ev): -2.0729 -2.0729 -2.0709 -2.0709 -0.2860 -0.2860 -0.2780 -0.2780 4.6776 4.6776 4.7224 4.7224 4.7952 4.7952 4.8376 4.8376 5.7423 5.7423 5.8212 5.8212 6.4730 6.4730 6.4834 6.4834 6.6188 6.6188 6.7322 6.7322 7.4045 7.4045 7.4336 7.4336 7.6824 7.6824 7.7192 7.7192 7.8596 7.8596 7.8615 7.8615 9.7228 9.7228 9.7476 9.7476 13.4685 13.4685 13.5264 13.5264 k = 0.5000 0.3724 0.0437 ( 3052 PWs) bands (ev): -2.0696 -2.0696 -2.0676 -2.0676 -0.2871 -0.2871 -0.2792 -0.2792 4.6485 4.6485 4.6936 4.6936 4.7375 4.7375 4.7695 4.7695 5.8311 5.8311 5.9012 5.9012 6.4723 6.4723 6.4776 6.4776 6.6377 6.6377 6.7417 6.7417 7.4109 7.4109 7.4361 7.4361 7.6892 7.6892 7.7229 7.7229 7.8668 7.8668 7.8678 7.8678 9.7425 9.7425 9.7659 9.7659 13.4544 13.4544 13.5126 13.5126 k = 0.5000 0.3724 0.0546 ( 3048 PWs) bands (ev): -2.0654 -2.0654 -2.0634 -2.0634 -0.2885 -0.2885 -0.2808 -0.2808 4.6049 4.6049 4.6476 4.6476 4.6834 4.6834 4.7086 4.7086 5.9275 5.9275 5.9902 5.9902 6.4726 6.4726 6.4736 6.4736 6.6581 6.6581 6.7527 6.7527 7.4186 7.4186 7.4393 7.4393 7.6974 7.6974 7.7273 7.7273 7.8766 7.8766 7.8767 7.8767 9.7680 9.7680 9.7896 9.7896 13.4363 13.4363 13.4950 13.4950 k = 0.5000 0.3724 0.0655 ( 3048 PWs) bands (ev): -2.0604 -2.0604 -2.0584 -2.0584 -0.2902 -0.2902 -0.2827 -0.2827 4.5453 4.5453 4.5810 4.5810 4.6377 4.6377 4.6623 4.6623 6.0272 6.0272 6.0837 6.0837 6.4724 6.4724 6.4751 6.4751 6.6791 6.6791 6.7645 6.7645 7.4273 7.4273 7.4430 7.4430 7.7065 7.7065 7.7320 7.7320 7.8887 7.8887 7.8900 7.8900 9.7993 9.7993 9.8188 9.8188 13.4145 13.4145 13.4735 13.4735 k = 0.5000 0.3724 0.0764 ( 3036 PWs) bands (ev): -2.0545 -2.0545 -2.0526 -2.0526 -0.2923 -0.2923 -0.2849 -0.2849 4.4769 4.4769 4.5060 4.5060 4.5965 4.5965 4.6209 4.6209 6.1265 6.1265 6.1773 6.1773 6.4758 6.4758 6.4819 6.4819 6.7001 6.7001 6.7766 6.7766 7.4369 7.4369 7.4472 7.4472 7.7160 7.7160 7.7369 7.7369 7.9047 7.9047 7.9072 7.9072 9.8367 9.8367 9.8537 9.8537 13.3890 13.3890 13.4485 13.4485 k = 0.5000 0.3724 0.0874 ( 3040 PWs) bands (ev): -2.0479 -2.0479 -2.0461 -2.0461 -0.2947 -0.2947 -0.2874 -0.2874 4.4059 4.4059 4.4300 4.4300 4.5553 4.5553 4.5787 4.5787 6.2202 6.2202 6.2643 6.2643 6.4870 6.4870 6.4973 6.4973 6.7205 6.7205 6.7887 6.7887 7.4470 7.4470 7.4519 7.4519 7.7251 7.7251 7.7416 7.7416 7.9252 7.9252 7.9287 7.9287 9.8800 9.8800 9.8942 9.8942 13.3598 13.3598 13.4198 13.4198 k = 0.5000 0.3724 0.0983 ( 3048 PWs) bands (ev): -2.0407 -2.0407 -2.0389 -2.0389 -0.2974 -0.2974 -0.2904 -0.2904 4.3351 4.3351 4.3556 4.3556 4.5131 4.5131 4.5349 4.5349 6.2991 6.2991 6.3340 6.3340 6.5134 6.5134 6.5306 6.5306 6.7400 6.7400 6.8005 6.8005 7.4572 7.4572 7.4572 7.4572 7.7335 7.7335 7.7460 7.7460 7.9507 7.9507 7.9551 7.9551 9.9293 9.9293 9.9404 9.9404 13.3271 13.3271 13.3875 13.3875 k = 0.5000 0.3724 0.1092 ( 3040 PWs) bands (ev): -2.0328 -2.0328 -2.0311 -2.0311 -0.3004 -0.3004 -0.2936 -0.2936 4.2663 4.2663 4.2839 4.2839 4.4694 4.4694 4.4895 4.4895 6.3525 6.3525 6.3770 6.3770 6.5646 6.5646 6.5894 6.5894 6.7585 6.7585 6.8121 6.8121 7.4631 7.4631 7.4677 7.4677 7.7410 7.7410 7.7500 7.7500 7.9818 7.9818 7.9866 7.9866 9.9849 9.9849 9.9925 9.9925 13.2909 13.2909 13.3516 13.3516 k = 0.5000 0.3724 0.1201 ( 3044 PWs) bands (ev): -2.0244 -2.0244 -2.0227 -2.0227 -0.3037 -0.3037 -0.2971 -0.2971 4.2002 4.2002 4.2154 4.2154 4.4247 4.4247 4.4429 4.4429 6.3810 6.3810 6.3988 6.3988 6.6377 6.6377 6.6657 6.6657 6.7761 6.7761 6.8244 6.8244 7.4695 7.4695 7.4780 7.4780 7.7475 7.7475 7.7535 7.7535 8.0185 8.0185 8.0235 8.0235 10.0464 10.0464 10.0505 10.0505 13.2513 13.2513 13.3123 13.3123 k = 0.5000 0.3724 0.1311 ( 3048 PWs) bands (ev): -2.0156 -2.0156 -2.0140 -2.0140 -0.3073 -0.3073 -0.3010 -0.3010 4.1373 4.1373 4.1507 4.1507 4.3793 4.3793 4.3956 4.3956 6.3959 6.3959 6.4103 6.4103 6.7183 6.7183 6.7434 6.7434 6.7950 6.7950 6.8410 6.8410 7.4767 7.4767 7.4884 7.4884 7.7529 7.7529 7.7567 7.7567 8.0611 8.0611 8.0661 8.0661 10.1141 10.1141 10.1143 10.1143 13.2082 13.2082 13.2695 13.2695 k = 0.5000 0.3724 0.1420 ( 3052 PWs) bands (ev): -2.0064 -2.0064 -2.0049 -2.0049 -0.3111 -0.3111 -0.3051 -0.3051 4.0780 4.0780 4.0898 4.0898 4.3337 4.3337 4.3481 4.3481 6.4047 6.4047 6.4174 6.4174 6.7814 6.7814 6.7999 6.7999 6.8309 6.8309 6.8774 6.8774 7.4846 7.4846 7.4988 7.4988 7.7575 7.7575 7.7594 7.7594 8.1095 8.1095 8.1144 8.1144 10.1838 10.1838 10.1876 10.1876 13.1617 13.1617 13.2231 13.2231 k = 0.5000 0.3724 0.1529 ( 3048 PWs) bands (ev): -1.9970 -1.9970 -1.9955 -1.9955 -0.3151 -0.3151 -0.3094 -0.3094 4.0227 4.0227 4.0332 4.0332 4.2882 4.2882 4.3009 4.3009 6.4109 6.4109 6.4224 6.4224 6.8048 6.8048 6.8230 6.8230 6.9013 6.9013 6.9419 6.9419 7.4936 7.4936 7.5095 7.5095 7.7615 7.7615 7.7619 7.7619 8.1638 8.1638 8.1685 8.1685 10.2589 10.2589 10.2669 10.2669 13.1116 13.1116 13.1733 13.1733 k = 0.5000 0.3724 0.1638 ( 3048 PWs) bands (ev): -1.9875 -1.9875 -1.9861 -1.9861 -0.3193 -0.3193 -0.3139 -0.3139 3.9715 3.9715 3.9808 3.9808 4.2433 4.2433 4.2545 4.2545 6.4157 6.4157 6.4264 6.4264 6.8174 6.8174 6.8335 6.8335 6.9749 6.9749 7.0115 7.0115 7.5035 7.5035 7.5205 7.5205 7.7642 7.7642 7.7651 7.7651 8.2236 8.2236 8.2282 8.2282 10.3395 10.3395 10.3517 10.3517 13.0581 13.0581 13.1199 13.1199 k = 0.5000 0.3724 0.1747 ( 3048 PWs) bands (ev): -1.9779 -1.9779 -1.9766 -1.9766 -0.3236 -0.3236 -0.3185 -0.3185 3.9245 3.9245 3.9328 3.9328 4.1995 4.1995 4.2092 4.2092 6.4199 6.4199 6.4298 6.4298 6.8269 6.8269 6.8403 6.8403 7.0424 7.0424 7.0762 7.0762 7.5145 7.5145 7.5319 7.5319 7.7664 7.7664 7.7681 7.7681 8.2886 8.2886 8.2932 8.2932 10.4252 10.4252 10.4416 10.4416 13.0008 13.0008 13.0628 13.0628 k = 0.5000 0.3724 0.1857 ( 3048 PWs) bands (ev): -1.9685 -1.9685 -1.9673 -1.9673 -0.3279 -0.3279 -0.3232 -0.3232 3.8818 3.8818 3.8893 3.8893 4.1572 4.1572 4.1654 4.1654 6.4237 6.4237 6.4329 6.4329 6.8347 6.8347 6.8453 6.8453 7.1019 7.1019 7.1331 7.1331 7.5264 7.5264 7.5437 7.5437 7.7685 7.7685 7.7709 7.7709 8.3582 8.3582 8.3629 8.3629 10.5158 10.5158 10.5364 10.5364 12.9395 12.9395 13.0020 13.0020 k = 0.5000 0.3724 0.1966 ( 3044 PWs) bands (ev): -1.9593 -1.9593 -1.9582 -1.9582 -0.3322 -0.3322 -0.3279 -0.3279 3.8435 3.8435 3.8502 3.8502 4.1167 4.1167 4.1237 4.1237 6.4273 6.4273 6.4357 6.4357 6.8410 6.8410 6.8493 6.8493 7.1528 7.1528 7.1815 7.1815 7.5393 7.5393 7.5560 7.5560 7.7706 7.7706 7.7735 7.7735 8.4312 8.4312 8.4360 8.4360 10.6109 10.6109 10.6357 10.6357 12.8736 12.8736 12.9368 12.9368 k = 0.5000 0.3724 0.2075 ( 3052 PWs) bands (ev): -1.9506 -1.9506 -1.9495 -1.9495 -0.3364 -0.3364 -0.3325 -0.3325 3.8095 3.8095 3.8155 3.8155 4.0784 4.0784 4.0842 4.0842 6.4305 6.4305 6.4383 6.4383 6.8461 6.8461 6.8523 6.8523 7.1953 7.1953 7.2216 7.2216 7.5528 7.5528 7.5684 7.5684 7.7726 7.7726 7.7759 7.7759 8.5062 8.5062 8.5112 8.5112 10.7100 10.7100 10.7388 10.7388 12.8021 12.8021 12.8667 12.8667 k = 0.5000 0.3724 0.2184 ( 3040 PWs) bands (ev): -1.9422 -1.9422 -1.9413 -1.9413 -0.3405 -0.3405 -0.3369 -0.3369 3.7798 3.7798 3.7851 3.7851 4.0427 4.0427 4.0475 4.0475 6.4337 6.4337 6.4407 6.4407 6.8504 6.8504 6.8549 6.8549 7.2302 7.2302 7.2539 7.2539 7.5664 7.5664 7.5808 7.5808 7.7746 7.7746 7.7781 7.7781 8.5817 8.5817 8.5868 8.5868 10.8127 10.8127 10.8454 10.8454 12.7238 12.7238 12.7903 12.7903 k = 0.5000 0.3724 0.2293 ( 3032 PWs) bands (ev): -1.9345 -1.9345 -1.9337 -1.9337 -0.3443 -0.3443 -0.3411 -0.3411 3.7543 3.7543 3.7590 3.7590 4.0099 4.0099 4.0138 4.0138 6.4366 6.4366 6.4428 6.4428 6.8537 6.8537 6.8569 6.8569 7.2583 7.2583 7.2793 7.2793 7.5796 7.5796 7.5925 7.5925 7.7767 7.7767 7.7802 7.7802 8.6557 8.6557 8.6607 8.6607 10.9184 10.9184 10.9547 10.9547 12.6376 12.6376 12.7060 12.7060 k = 0.5000 0.3724 0.2403 ( 3028 PWs) bands (ev): -1.9276 -1.9276 -1.9269 -1.9269 -0.3477 -0.3477 -0.3450 -0.3450 3.7329 3.7329 3.7370 3.7370 3.9805 3.9805 3.9836 3.9836 6.4394 6.4394 6.4447 6.4447 6.8563 6.8563 6.8585 6.8585 7.2806 7.2806 7.2989 7.2989 7.5920 7.5920 7.6032 7.6032 7.7787 7.7787 7.7821 7.7821 8.7260 8.7260 8.7308 8.7308 11.0262 11.0262 11.0658 11.0658 12.5434 12.5434 12.6130 12.6130 k = 0.5000 0.3724 0.2512 ( 3036 PWs) bands (ev): -1.9215 -1.9215 -1.9209 -1.9209 -0.3508 -0.3508 -0.3485 -0.3485 3.7154 3.7154 3.7188 3.7188 3.9547 3.9547 3.9571 3.9571 6.4417 6.4417 6.4462 6.4462 6.8583 6.8583 6.8597 6.8597 7.2981 7.2981 7.3135 7.3135 7.6030 7.6030 7.6125 7.6125 7.7807 7.7807 7.7837 7.7837 8.7905 8.7905 8.7949 8.7949 11.1354 11.1354 11.1776 11.1776 12.4428 12.4428 12.5118 12.5118 k = 0.5000 0.3724 0.2621 ( 3040 PWs) bands (ev): -1.9164 -1.9164 -1.9159 -1.9159 -0.3534 -0.3534 -0.3515 -0.3515 3.7016 3.7016 3.7043 3.7043 3.9330 3.9330 3.9348 3.9348 6.4439 6.4439 6.4475 6.4475 6.8598 6.8598 6.8606 6.8606 7.3117 7.3117 7.3241 7.3241 7.6123 7.6123 7.6200 7.6200 7.7825 7.7825 7.7851 7.7851 8.8471 8.8471 8.8509 8.8509 11.2443 11.2443 11.2883 11.2883 12.3391 12.3391 12.4055 12.4055 k = 0.5000 0.3724 0.2730 ( 3040 PWs) bands (ev): -1.9123 -1.9123 -1.9119 -1.9119 -0.3554 -0.3554 -0.3540 -0.3540 3.6912 3.6912 3.6933 3.6933 3.9156 3.9156 3.9169 3.9169 6.4456 6.4456 6.4484 6.4484 6.8608 6.8608 6.8613 6.8613 7.3219 7.3219 7.3314 7.3314 7.6200 7.6200 7.6258 7.6258 7.7841 7.7841 7.7862 7.7862 8.8937 8.8937 8.8968 8.8968 11.3507 11.3507 11.3945 11.3945 12.2372 12.2372 12.2983 12.2983 k = 0.5000 0.3724 0.2839 ( 3044 PWs) bands (ev): -1.9093 -1.9093 -1.9090 -1.9090 -0.3568 -0.3568 -0.3559 -0.3559 3.6841 3.6841 3.6856 3.6856 3.9030 3.9030 3.9038 3.9038 6.4471 6.4471 6.4489 6.4489 6.8615 6.8615 6.8618 6.8618 7.3294 7.3294 7.3357 7.3357 7.6257 7.6257 7.6296 7.6296 7.7854 7.7854 7.7868 7.7868 8.9286 8.9286 8.9308 8.9308 11.4497 11.4497 11.4891 11.4891 12.1456 12.1456 12.1967 12.1967 k = 0.5000 0.3724 0.2949 ( 3044 PWs) bands (ev): -1.9074 -1.9074 -1.9073 -1.9073 -0.3576 -0.3576 -0.3571 -0.3571 3.6801 3.6801 3.6808 3.6808 3.8954 3.8954 3.8958 3.8958 6.4481 6.4481 6.4490 6.4490 6.8619 6.8619 6.8621 6.8621 7.3344 7.3344 7.3376 7.3376 7.6296 7.6296 7.6316 7.6316 7.7864 7.7864 7.7871 7.7871 8.9504 8.9504 8.9515 8.9515 11.5310 11.5310 11.5572 11.5572 12.0802 12.0802 12.1122 12.1122 k = 0.5000 0.3724 0.3058 ( 3048 PWs) bands (ev): -1.9068 -1.9068 -1.9067 -1.9067 -0.3577 -0.3577 -0.3577 -0.3577 3.6790 3.6790 3.6791 3.6791 3.8930 3.8930 3.8930 3.8930 6.4487 6.4487 6.4488 6.4488 6.8620 6.8620 6.8622 6.8622 7.3370 7.3370 7.3372 7.3372 7.6314 7.6314 7.6316 7.6316 7.7869 7.7869 7.7871 7.7871 8.9582 8.9582 8.9582 8.9582 11.5740 11.5740 11.5740 11.5740 12.0662 12.0662 12.0662 12.0662 Writing output data file NiAs2.save init_run : 0.37s CPU 0.63s WALL ( 1 calls) electrons : 305.38s CPU 308.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 305.37s CPU 308.27s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 440 calls) cegterg : 283.56s CPU 285.94s WALL ( 636 calls) Called by sum_band: Called by *egterg: h_psi : 180.68s CPU 186.59s WALL ( 10775 calls) s_psi : 11.86s CPU 12.22s WALL ( 10775 calls) g_psi : 0.31s CPU 0.36s WALL ( 9699 calls) cdiaghg : 75.28s CPU 72.17s WALL ( 10139 calls) cegterg:over : 15.68s CPU 13.75s WALL ( 9699 calls) cegterg:upda : 2.97s CPU 5.52s WALL ( 9699 calls) cegterg:last : 3.37s CPU 4.23s WALL ( 2154 calls) Called by h_psi: h_psi:vloc : 166.74s CPU 170.03s WALL ( 10775 calls) h_psi:vnl : 13.89s CPU 16.34s WALL ( 10775 calls) add_vuspsi : 5.66s CPU 8.07s WALL ( 10775 calls) General routines calbec : 8.21s CPU 8.24s WALL ( 10775 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 164.99s CPU 164.73s WALL ( 1307260 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.02s CPU 0.12s WALL ( 880 calls) Parallel routines fft_scatter : 148.75s CPU 119.62s WALL ( 1307283 calls) PWSCF : 5m34.30s CPU 5m48.85s WALL This run was terminated on: 16:50:23 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=