Program PWSCF v.5.1.1 starts on 9Oct2015 at 21:16:38 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ag3SI.save/ 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 30 30 8 870 870 134 Max 31 31 9 875 875 141 Sum 1457 1457 421 41851 41851 6619 bravais-lattice index = 14 lattice parameter (alat) = 9.2011 a.u. unit-cell volume = 778.9612 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 216.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.201076 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) 3 Sym. Ops. (no inversion) found 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 = 2 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 2) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 3 120 deg rotation - cart. axis [1,1,1] cryst. s( 3) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group C_3 (3) there are 6 classes and 3 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 G_4 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C3^2 2 C3 3 -E -1 -C3^2 -2 -C3 -3 Cartesian axes number of k points= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0089286 -0.0089286 0.0089286), wk = 0.0027855 k( 3) = ( 0.0178571 -0.0178571 0.0178571), wk = 0.0027855 k( 4) = ( 0.0267857 -0.0267857 0.0267857), wk = 0.0027855 k( 5) = ( 0.0357143 -0.0357143 0.0357143), wk = 0.0027855 k( 6) = ( 0.0446429 -0.0446429 0.0446429), wk = 0.0027855 k( 7) = ( 0.0535714 -0.0535714 0.0535714), wk = 0.0027855 k( 8) = ( 0.0625000 -0.0625000 0.0625000), wk = 0.0027855 k( 9) = ( 0.0714286 -0.0714286 0.0714286), wk = 0.0027855 k( 10) = ( 0.0803571 -0.0803571 0.0803571), wk = 0.0027855 k( 11) = ( 0.0892857 -0.0892857 0.0892857), wk = 0.0027855 k( 12) = ( 0.0982143 -0.0982143 0.0982143), wk = 0.0027855 k( 13) = ( 0.1071429 -0.1071429 0.1071429), wk = 0.0027855 k( 14) = ( 0.1160714 -0.1160714 0.1160714), wk = 0.0027855 k( 15) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0027855 k( 16) = ( 0.1339286 -0.1339286 0.1339286), wk = 0.0027855 k( 17) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0027855 k( 18) = ( 0.1517857 -0.1517857 0.1517857), wk = 0.0027855 k( 19) = ( 0.1607143 -0.1607143 0.1607143), wk = 0.0027855 k( 20) = ( 0.1696429 -0.1696429 0.1696429), wk = 0.0027855 k( 21) = ( 0.1785714 -0.1785714 0.1785714), wk = 0.0027855 k( 22) = ( 0.1875000 -0.1875000 0.1875000), wk = 0.0027855 k( 23) = ( 0.1964286 -0.1964286 0.1964286), wk = 0.0027855 k( 24) = ( 0.2053571 -0.2053571 0.2053571), wk = 0.0027855 k( 25) = ( 0.2142857 -0.2142857 0.2142857), wk = 0.0027855 k( 26) = ( 0.2232143 -0.2232143 0.2232143), wk = 0.0027855 k( 27) = ( 0.2321429 -0.2321429 0.2321429), wk = 0.0027855 k( 28) = ( 0.2410714 -0.2410714 0.2410714), wk = 0.0027855 k( 29) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0027855 k( 30) = ( 0.2589286 -0.2589286 0.2589286), wk = 0.0027855 k( 31) = ( 0.2678571 -0.2678571 0.2678571), wk = 0.0027855 k( 32) = ( 0.2767857 -0.2767857 0.2767857), wk = 0.0027855 k( 33) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0027855 k( 34) = ( 0.2946429 -0.2946429 0.2946429), wk = 0.0027855 k( 35) = ( 0.3035714 -0.3035714 0.3035714), wk = 0.0027855 k( 36) = ( 0.3125000 -0.3125000 0.3125000), wk = 0.0027855 k( 37) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0027855 k( 38) = ( 0.3303571 -0.3303571 0.3303571), wk = 0.0027855 k( 39) = ( 0.3392857 -0.3392857 0.3392857), wk = 0.0027855 k( 40) = ( 0.3482143 -0.3482143 0.3482143), wk = 0.0027855 k( 41) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0027855 k( 42) = ( 0.3660714 -0.3660714 0.3660714), wk = 0.0027855 k( 43) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0027855 k( 44) = ( 0.3839286 -0.3839286 0.3839286), wk = 0.0027855 k( 45) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0027855 k( 46) = ( 0.4017857 -0.4017857 0.4017857), wk = 0.0027855 k( 47) = ( 0.4107143 -0.4107143 0.4107143), wk = 0.0027855 k( 48) = ( 0.4196429 -0.4196429 0.4196429), wk = 0.0027855 k( 49) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0027855 k( 50) = ( 0.4375000 -0.4375000 0.4375000), wk = 0.0027855 k( 51) = ( 0.4464286 -0.4464286 0.4464286), wk = 0.0027855 k( 52) = ( 0.4553571 -0.4553571 0.4553571), wk = 0.0027855 k( 53) = ( 0.4642857 -0.4642857 0.4642857), wk = 0.0027855 k( 54) = ( 0.4732143 -0.4732143 0.4732143), wk = 0.0027855 k( 55) = ( 0.4821429 -0.4821429 0.4821429), wk = 0.0027855 k( 56) = ( 0.4910714 -0.4910714 0.4910714), wk = 0.0027855 k( 57) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 58) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 61) = ( 0.5000000 -0.4846154 0.5000000), wk = 0.0027855 k( 62) = ( 0.5000000 -0.4692308 0.5000000), wk = 0.0027855 k( 63) = ( 0.5000000 -0.4538462 0.5000000), wk = 0.0027855 k( 64) = ( 0.5000000 -0.4384615 0.5000000), wk = 0.0027855 k( 65) = ( 0.5000000 -0.4230769 0.5000000), wk = 0.0027855 k( 66) = ( 0.5000000 -0.4076923 0.5000000), wk = 0.0027855 k( 67) = ( 0.5000000 -0.3923077 0.5000000), wk = 0.0027855 k( 68) = ( 0.5000000 -0.3769231 0.5000000), wk = 0.0027855 k( 69) = ( 0.5000000 -0.3615385 0.5000000), wk = 0.0027855 k( 70) = ( 0.5000000 -0.3461539 0.5000000), wk = 0.0027855 k( 71) = ( 0.5000000 -0.3307692 0.5000000), wk = 0.0027855 k( 72) = ( 0.5000000 -0.3153846 0.5000000), wk = 0.0027855 k( 73) = ( 0.5000000 -0.3000000 0.5000000), wk = 0.0027855 k( 74) = ( 0.5000000 -0.2846154 0.5000000), wk = 0.0027855 k( 75) = ( 0.5000000 -0.2692308 0.5000000), wk = 0.0027855 k( 76) = ( 0.5000000 -0.2538462 0.5000000), wk = 0.0027855 k( 77) = ( 0.5000000 -0.2384615 0.5000000), wk = 0.0027855 k( 78) = ( 0.5000000 -0.2230769 0.5000000), wk = 0.0027855 k( 79) = ( 0.5000000 -0.2076923 0.5000000), wk = 0.0027855 k( 80) = ( 0.5000000 -0.1923077 0.5000000), wk = 0.0027855 k( 81) = ( 0.5000000 -0.1769231 0.5000000), wk = 0.0027855 k( 82) = ( 0.5000000 -0.1615385 0.5000000), wk = 0.0027855 k( 83) = ( 0.5000000 -0.1461539 0.5000000), wk = 0.0027855 k( 84) = ( 0.5000000 -0.1307692 0.5000000), wk = 0.0027855 k( 85) = ( 0.5000000 -0.1153846 0.5000000), wk = 0.0027855 k( 86) = ( 0.5000000 -0.1000000 0.5000000), wk = 0.0027855 k( 87) = ( 0.5000000 -0.0846154 0.5000000), wk = 0.0027855 k( 88) = ( 0.5000000 -0.0692308 0.5000000), wk = 0.0027855 k( 89) = ( 0.5000000 -0.0538462 0.5000000), wk = 0.0027855 k( 90) = ( 0.5000000 -0.0384615 0.5000000), wk = 0.0027855 k( 91) = ( 0.5000000 -0.0230769 0.5000000), wk = 0.0027855 k( 92) = ( 0.5000000 -0.0076923 0.5000000), wk = 0.0027855 k( 93) = ( 0.5000000 0.0076923 0.5000000), wk = 0.0027855 k( 94) = ( 0.5000000 0.0230769 0.5000000), wk = 0.0027855 k( 95) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.0538461 0.5000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.0692308 0.5000000), wk = 0.0027855 k( 98) = ( 0.5000000 0.0846154 0.5000000), wk = 0.0027855 k( 99) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027855 k( 100) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027855 k( 101) = ( 0.5000000 0.1307692 0.5000000), wk = 0.0027855 k( 102) = ( 0.5000000 0.1461538 0.5000000), wk = 0.0027855 k( 103) = ( 0.5000000 0.1615385 0.5000000), wk = 0.0027855 k( 104) = ( 0.5000000 0.1769231 0.5000000), wk = 0.0027855 k( 105) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027855 k( 106) = ( 0.5000000 0.2076923 0.5000000), wk = 0.0027855 k( 107) = ( 0.5000000 0.2230769 0.5000000), wk = 0.0027855 k( 108) = ( 0.5000000 0.2384615 0.5000000), wk = 0.0027855 k( 109) = ( 0.5000000 0.2538461 0.5000000), wk = 0.0027855 k( 110) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027855 k( 111) = ( 0.5000000 0.2846154 0.5000000), wk = 0.0027855 k( 112) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027855 k( 113) = ( 0.5000000 0.3153846 0.5000000), wk = 0.0027855 k( 114) = ( 0.5000000 0.3307692 0.5000000), wk = 0.0027855 k( 115) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027855 k( 116) = ( 0.5000000 0.3615385 0.5000000), wk = 0.0027855 k( 117) = ( 0.5000000 0.3769231 0.5000000), wk = 0.0027855 k( 118) = ( 0.5000000 0.3923077 0.5000000), wk = 0.0027855 k( 119) = ( 0.5000000 0.4076923 0.5000000), wk = 0.0027855 k( 120) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027855 k( 121) = ( 0.5000000 0.4384615 0.5000000), wk = 0.0027855 k( 122) = ( 0.5000000 0.4538461 0.5000000), wk = 0.0027855 k( 123) = ( 0.5000000 0.4692308 0.5000000), wk = 0.0027855 k( 124) = ( 0.5000000 0.4846154 0.5000000), wk = 0.0027855 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 127) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0027855 k( 128) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0027855 k( 129) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0027855 k( 130) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0027855 k( 131) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0027855 k( 132) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0027855 k( 133) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 134) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0027855 k( 135) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0027855 k( 136) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0027855 k( 137) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0027855 k( 138) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0027855 k( 139) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0027855 k( 140) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 141) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0027855 k( 142) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0027855 k( 143) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0027855 k( 144) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0027855 k( 145) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0027855 k( 146) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0027855 k( 147) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0027855 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0027855 k( 150) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0027855 k( 151) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0027855 k( 152) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0027855 k( 153) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0027855 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 155) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0027855 k( 156) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0027855 k( 157) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0027855 k( 158) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0027855 k( 159) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0027855 k( 160) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0027855 k( 161) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 162) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0027855 k( 163) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0027855 k( 164) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0027855 k( 165) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0027855 k( 166) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0027855 k( 167) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0027855 k( 168) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 169) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0027855 k( 170) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0027855 k( 171) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0027855 k( 172) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0027855 k( 173) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0027855 k( 174) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0027855 k( 175) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 176) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0027855 k( 177) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0027855 k( 178) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0027855 k( 179) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0027855 k( 180) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0027855 k( 181) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0027855 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 184) = ( 0.0108696 -0.0108696 0.0000000), wk = 0.0027855 k( 185) = ( 0.0217391 -0.0217391 0.0000000), wk = 0.0027855 k( 186) = ( 0.0326087 -0.0326087 0.0000000), wk = 0.0027855 k( 187) = ( 0.0434783 -0.0434783 0.0000000), wk = 0.0027855 k( 188) = ( 0.0543478 -0.0543478 0.0000000), wk = 0.0027855 k( 189) = ( 0.0652174 -0.0652174 0.0000000), wk = 0.0027855 k( 190) = ( 0.0760870 -0.0760870 0.0000000), wk = 0.0027855 k( 191) = ( 0.0869565 -0.0869565 0.0000000), wk = 0.0027855 k( 192) = ( 0.0978261 -0.0978261 0.0000000), wk = 0.0027855 k( 193) = ( 0.1086957 -0.1086957 0.0000000), wk = 0.0027855 k( 194) = ( 0.1195652 -0.1195652 0.0000000), wk = 0.0027855 k( 195) = ( 0.1304348 -0.1304348 0.0000000), wk = 0.0027855 k( 196) = ( 0.1413043 -0.1413044 0.0000000), wk = 0.0027855 k( 197) = ( 0.1521739 -0.1521739 0.0000000), wk = 0.0027855 k( 198) = ( 0.1630435 -0.1630435 0.0000000), wk = 0.0027855 k( 199) = ( 0.1739130 -0.1739130 0.0000000), wk = 0.0027855 k( 200) = ( 0.1847826 -0.1847826 0.0000000), wk = 0.0027855 k( 201) = ( 0.1956522 -0.1956522 0.0000000), wk = 0.0027855 k( 202) = ( 0.2065217 -0.2065217 0.0000000), wk = 0.0027855 k( 203) = ( 0.2173913 -0.2173913 0.0000000), wk = 0.0027855 k( 204) = ( 0.2282609 -0.2282609 0.0000000), wk = 0.0027855 k( 205) = ( 0.2391304 -0.2391304 0.0000000), wk = 0.0027855 k( 206) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0027855 k( 207) = ( 0.2608696 -0.2608696 0.0000000), wk = 0.0027855 k( 208) = ( 0.2717391 -0.2717391 0.0000000), wk = 0.0027855 k( 209) = ( 0.2826087 -0.2826087 0.0000000), wk = 0.0027855 k( 210) = ( 0.2934783 -0.2934783 0.0000000), wk = 0.0027855 k( 211) = ( 0.3043478 -0.3043478 0.0000000), wk = 0.0027855 k( 212) = ( 0.3152174 -0.3152174 0.0000000), wk = 0.0027855 k( 213) = ( 0.3260870 -0.3260870 0.0000000), wk = 0.0027855 k( 214) = ( 0.3369565 -0.3369565 0.0000000), wk = 0.0027855 k( 215) = ( 0.3478261 -0.3478261 0.0000000), wk = 0.0027855 k( 216) = ( 0.3586956 -0.3586957 0.0000000), wk = 0.0027855 k( 217) = ( 0.3695652 -0.3695652 0.0000000), wk = 0.0027855 k( 218) = ( 0.3804348 -0.3804348 0.0000000), wk = 0.0027855 k( 219) = ( 0.3913044 -0.3913044 0.0000000), wk = 0.0027855 k( 220) = ( 0.4021739 -0.4021739 0.0000000), wk = 0.0027855 k( 221) = ( 0.4130435 -0.4130435 0.0000000), wk = 0.0027855 k( 222) = ( 0.4239130 -0.4239130 0.0000000), wk = 0.0027855 k( 223) = ( 0.4347826 -0.4347826 0.0000000), wk = 0.0027855 k( 224) = ( 0.4456522 -0.4456522 0.0000000), wk = 0.0027855 k( 225) = ( 0.4565217 -0.4565217 0.0000000), wk = 0.0027855 k( 226) = ( 0.4673913 -0.4673913 0.0000000), wk = 0.0027855 k( 227) = ( 0.4782609 -0.4782609 0.0000000), wk = 0.0027855 k( 228) = ( 0.4891304 -0.4891304 0.0000000), wk = 0.0027855 k( 229) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855 k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855 k( 231) = ( 0.5000000 -0.5000000 -0.0151515), wk = 0.0027855 k( 232) = ( 0.5000000 -0.5000000 -0.0303030), wk = 0.0027855 k( 233) = ( 0.5000000 -0.5000000 -0.0454546), wk = 0.0027855 k( 234) = ( 0.5000000 -0.5000000 -0.0606061), wk = 0.0027855 k( 235) = ( 0.5000000 -0.5000000 -0.0757576), wk = 0.0027855 k( 236) = ( 0.5000000 -0.5000000 -0.0909091), wk = 0.0027855 k( 237) = ( 0.5000000 -0.5000000 -0.1060606), wk = 0.0027855 k( 238) = ( 0.5000000 -0.5000000 -0.1212121), wk = 0.0027855 k( 239) = ( 0.5000000 -0.5000000 -0.1363636), wk = 0.0027855 k( 240) = ( 0.5000000 -0.5000000 -0.1515151), wk = 0.0027855 k( 241) = ( 0.5000000 -0.5000000 -0.1666667), wk = 0.0027855 k( 242) = ( 0.5000000 -0.5000000 -0.1818182), wk = 0.0027855 k( 243) = ( 0.5000000 -0.5000000 -0.1969697), wk = 0.0027855 k( 244) = ( 0.5000000 -0.5000000 -0.2121212), wk = 0.0027855 k( 245) = ( 0.5000000 -0.5000000 -0.2272727), wk = 0.0027855 k( 246) = ( 0.5000000 -0.5000000 -0.2424242), wk = 0.0027855 k( 247) = ( 0.5000000 -0.5000000 -0.2575758), wk = 0.0027855 k( 248) = ( 0.5000000 -0.5000000 -0.2727273), wk = 0.0027855 k( 249) = ( 0.5000000 -0.5000000 -0.2878788), wk = 0.0027855 k( 250) = ( 0.5000000 -0.5000000 -0.3030303), wk = 0.0027855 k( 251) = ( 0.5000000 -0.5000000 -0.3181818), wk = 0.0027855 k( 252) = ( 0.5000000 -0.5000000 -0.3333333), wk = 0.0027855 k( 253) = ( 0.5000000 -0.5000000 -0.3484849), wk = 0.0027855 k( 254) = ( 0.5000000 -0.5000000 -0.3636364), wk = 0.0027855 k( 255) = ( 0.5000000 -0.5000000 -0.3787879), wk = 0.0027855 k( 256) = ( 0.5000000 -0.5000000 -0.3939394), wk = 0.0027855 k( 257) = ( 0.5000000 -0.5000000 -0.4090909), wk = 0.0027855 k( 258) = ( 0.5000000 -0.5000000 -0.4242424), wk = 0.0027855 k( 259) = ( 0.5000000 -0.5000000 -0.4393939), wk = 0.0027855 k( 260) = ( 0.5000000 -0.5000000 -0.4545455), wk = 0.0027855 k( 261) = ( 0.5000000 -0.5000000 -0.4696970), wk = 0.0027855 k( 262) = ( 0.5000000 -0.5000000 -0.4848485), wk = 0.0027855 k( 263) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 264) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 265) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 266) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 267) = ( 0.5000000 -0.4891304 -0.4891304), wk = 0.0027855 k( 268) = ( 0.5000000 -0.4782609 -0.4782609), wk = 0.0027855 k( 269) = ( 0.5000000 -0.4673913 -0.4673913), wk = 0.0027855 k( 270) = ( 0.5000000 -0.4565217 -0.4565217), wk = 0.0027855 k( 271) = ( 0.5000000 -0.4456522 -0.4456522), wk = 0.0027855 k( 272) = ( 0.5000000 -0.4347826 -0.4347826), wk = 0.0027855 k( 273) = ( 0.5000000 -0.4239130 -0.4239130), wk = 0.0027855 k( 274) = ( 0.5000000 -0.4130435 -0.4130435), wk = 0.0027855 k( 275) = ( 0.5000000 -0.4021739 -0.4021739), wk = 0.0027855 k( 276) = ( 0.5000000 -0.3913044 -0.3913044), wk = 0.0027855 k( 277) = ( 0.5000000 -0.3804348 -0.3804348), wk = 0.0027855 k( 278) = ( 0.5000000 -0.3695652 -0.3695652), wk = 0.0027855 k( 279) = ( 0.5000000 -0.3586957 -0.3586956), wk = 0.0027855 k( 280) = ( 0.5000000 -0.3478261 -0.3478261), wk = 0.0027855 k( 281) = ( 0.5000000 -0.3369565 -0.3369565), wk = 0.0027855 k( 282) = ( 0.5000000 -0.3260870 -0.3260870), wk = 0.0027855 k( 283) = ( 0.5000000 -0.3152174 -0.3152174), wk = 0.0027855 k( 284) = ( 0.5000000 -0.3043478 -0.3043478), wk = 0.0027855 k( 285) = ( 0.5000000 -0.2934783 -0.2934783), wk = 0.0027855 k( 286) = ( 0.5000000 -0.2826087 -0.2826087), wk = 0.0027855 k( 287) = ( 0.5000000 -0.2717391 -0.2717391), wk = 0.0027855 k( 288) = ( 0.5000000 -0.2608696 -0.2608696), wk = 0.0027855 k( 289) = ( 0.5000000 -0.2500000 -0.2500000), wk = 0.0027855 k( 290) = ( 0.5000000 -0.2391304 -0.2391304), wk = 0.0027855 k( 291) = ( 0.5000000 -0.2282609 -0.2282609), wk = 0.0027855 k( 292) = ( 0.5000000 -0.2173913 -0.2173913), wk = 0.0027855 k( 293) = ( 0.5000000 -0.2065217 -0.2065217), wk = 0.0027855 k( 294) = ( 0.5000000 -0.1956522 -0.1956522), wk = 0.0027855 k( 295) = ( 0.5000000 -0.1847826 -0.1847826), wk = 0.0027855 k( 296) = ( 0.5000000 -0.1739130 -0.1739130), wk = 0.0027855 k( 297) = ( 0.5000000 -0.1630435 -0.1630435), wk = 0.0027855 k( 298) = ( 0.5000000 -0.1521739 -0.1521739), wk = 0.0027855 k( 299) = ( 0.5000000 -0.1413044 -0.1413044), wk = 0.0027855 k( 300) = ( 0.5000000 -0.1304348 -0.1304348), wk = 0.0027855 k( 301) = ( 0.5000000 -0.1195652 -0.1195652), wk = 0.0027855 k( 302) = ( 0.5000000 -0.1086957 -0.1086957), wk = 0.0027855 k( 303) = ( 0.5000000 -0.0978261 -0.0978261), wk = 0.0027855 k( 304) = ( 0.5000000 -0.0869565 -0.0869565), wk = 0.0027855 k( 305) = ( 0.5000000 -0.0760870 -0.0760870), wk = 0.0027855 k( 306) = ( 0.5000000 -0.0652174 -0.0652174), wk = 0.0027855 k( 307) = ( 0.5000000 -0.0543478 -0.0543478), wk = 0.0027855 k( 308) = ( 0.5000000 -0.0434783 -0.0434783), wk = 0.0027855 k( 309) = ( 0.5000000 -0.0326087 -0.0326087), wk = 0.0027855 k( 310) = ( 0.5000000 -0.0217391 -0.0217391), wk = 0.0027855 k( 311) = ( 0.5000000 -0.0108696 -0.0108696), wk = 0.0027855 k( 312) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027855 k( 314) = ( 0.5000000 -0.0108696 0.0108696), wk = 0.0027855 k( 315) = ( 0.5000000 -0.0217391 0.0217391), wk = 0.0027855 k( 316) = ( 0.5000000 -0.0326087 0.0326087), wk = 0.0027855 k( 317) = ( 0.5000000 -0.0434783 0.0434783), wk = 0.0027855 k( 318) = ( 0.5000000 -0.0543478 0.0543478), wk = 0.0027855 k( 319) = ( 0.5000000 -0.0652174 0.0652174), wk = 0.0027855 k( 320) = ( 0.5000000 -0.0760870 0.0760870), wk = 0.0027855 k( 321) = ( 0.5000000 -0.0869565 0.0869565), wk = 0.0027855 k( 322) = ( 0.5000000 -0.0978261 0.0978261), wk = 0.0027855 k( 323) = ( 0.5000000 -0.1086957 0.1086956), wk = 0.0027855 k( 324) = ( 0.5000000 -0.1195652 0.1195652), wk = 0.0027855 k( 325) = ( 0.5000000 -0.1304348 0.1304348), wk = 0.0027855 k( 326) = ( 0.5000000 -0.1413044 0.1413043), wk = 0.0027855 k( 327) = ( 0.5000000 -0.1521739 0.1521739), wk = 0.0027855 k( 328) = ( 0.5000000 -0.1630435 0.1630435), wk = 0.0027855 k( 329) = ( 0.5000000 -0.1739130 0.1739130), wk = 0.0027855 k( 330) = ( 0.5000000 -0.1847826 0.1847826), wk = 0.0027855 k( 331) = ( 0.5000000 -0.1956522 0.1956522), wk = 0.0027855 k( 332) = ( 0.5000000 -0.2065217 0.2065217), wk = 0.0027855 k( 333) = ( 0.5000000 -0.2173913 0.2173913), wk = 0.0027855 k( 334) = ( 0.5000000 -0.2282609 0.2282609), wk = 0.0027855 k( 335) = ( 0.5000000 -0.2391304 0.2391304), wk = 0.0027855 k( 336) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0027855 k( 337) = ( 0.5000000 -0.2608696 0.2608696), wk = 0.0027855 k( 338) = ( 0.5000000 -0.2717391 0.2717391), wk = 0.0027855 k( 339) = ( 0.5000000 -0.2826087 0.2826087), wk = 0.0027855 k( 340) = ( 0.5000000 -0.2934783 0.2934783), wk = 0.0027855 k( 341) = ( 0.5000000 -0.3043478 0.3043478), wk = 0.0027855 k( 342) = ( 0.5000000 -0.3152174 0.3152174), wk = 0.0027855 k( 343) = ( 0.5000000 -0.3260870 0.3260870), wk = 0.0027855 k( 344) = ( 0.5000000 -0.3369565 0.3369565), wk = 0.0027855 k( 345) = ( 0.5000000 -0.3478261 0.3478261), wk = 0.0027855 k( 346) = ( 0.5000000 -0.3586957 0.3586956), wk = 0.0027855 k( 347) = ( 0.5000000 -0.3695652 0.3695652), wk = 0.0027855 k( 348) = ( 0.5000000 -0.3804348 0.3804348), wk = 0.0027855 k( 349) = ( 0.5000000 -0.3913044 0.3913044), wk = 0.0027855 k( 350) = ( 0.5000000 -0.4021739 0.4021739), wk = 0.0027855 k( 351) = ( 0.5000000 -0.4130435 0.4130435), wk = 0.0027855 k( 352) = ( 0.5000000 -0.4239130 0.4239130), wk = 0.0027855 k( 353) = ( 0.5000000 -0.4347826 0.4347826), wk = 0.0027855 k( 354) = ( 0.5000000 -0.4456522 0.4456522), wk = 0.0027855 k( 355) = ( 0.5000000 -0.4565217 0.4565217), wk = 0.0027855 k( 356) = ( 0.5000000 -0.4673913 0.4673913), wk = 0.0027855 k( 357) = ( 0.5000000 -0.4782609 0.4782609), wk = 0.0027855 k( 358) = ( 0.5000000 -0.4891304 0.4891304), wk = 0.0027855 k( 359) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0089286 -0.0089286 0.0089286), wk = 0.0027855 k( 3) = ( 0.0178571 -0.0178571 0.0178571), wk = 0.0027855 k( 4) = ( 0.0267857 -0.0267857 0.0267857), wk = 0.0027855 k( 5) = ( 0.0357143 -0.0357143 0.0357143), wk = 0.0027855 k( 6) = ( 0.0446429 -0.0446429 0.0446429), wk = 0.0027855 k( 7) = ( 0.0535714 -0.0535714 0.0535714), wk = 0.0027855 k( 8) = ( 0.0625000 -0.0625000 0.0625000), wk = 0.0027855 k( 9) = ( 0.0714286 -0.0714286 0.0714286), wk = 0.0027855 k( 10) = ( 0.0803571 -0.0803571 0.0803571), wk = 0.0027855 k( 11) = ( 0.0892857 -0.0892857 0.0892857), wk = 0.0027855 k( 12) = ( 0.0982143 -0.0982143 0.0982143), wk = 0.0027855 k( 13) = ( 0.1071429 -0.1071429 0.1071429), wk = 0.0027855 k( 14) = ( 0.1160714 -0.1160714 0.1160714), wk = 0.0027855 k( 15) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0027855 k( 16) = ( 0.1339286 -0.1339286 0.1339286), wk = 0.0027855 k( 17) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0027855 k( 18) = ( 0.1517857 -0.1517857 0.1517857), wk = 0.0027855 k( 19) = ( 0.1607143 -0.1607143 0.1607143), wk = 0.0027855 k( 20) = ( 0.1696429 -0.1696429 0.1696429), wk = 0.0027855 k( 21) = ( 0.1785714 -0.1785714 0.1785714), wk = 0.0027855 k( 22) = ( 0.1875000 -0.1875000 0.1875000), wk = 0.0027855 k( 23) = ( 0.1964286 -0.1964286 0.1964286), wk = 0.0027855 k( 24) = ( 0.2053571 -0.2053571 0.2053571), wk = 0.0027855 k( 25) = ( 0.2142857 -0.2142857 0.2142857), wk = 0.0027855 k( 26) = ( 0.2232143 -0.2232143 0.2232143), wk = 0.0027855 k( 27) = ( 0.2321429 -0.2321429 0.2321429), wk = 0.0027855 k( 28) = ( 0.2410714 -0.2410714 0.2410714), wk = 0.0027855 k( 29) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0027855 k( 30) = ( 0.2589286 -0.2589286 0.2589286), wk = 0.0027855 k( 31) = ( 0.2678571 -0.2678571 0.2678571), wk = 0.0027855 k( 32) = ( 0.2767857 -0.2767857 0.2767857), wk = 0.0027855 k( 33) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0027855 k( 34) = ( 0.2946429 -0.2946429 0.2946429), wk = 0.0027855 k( 35) = ( 0.3035714 -0.3035714 0.3035714), wk = 0.0027855 k( 36) = ( 0.3125000 -0.3125000 0.3125000), wk = 0.0027855 k( 37) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0027855 k( 38) = ( 0.3303571 -0.3303571 0.3303571), wk = 0.0027855 k( 39) = ( 0.3392857 -0.3392857 0.3392857), wk = 0.0027855 k( 40) = ( 0.3482143 -0.3482143 0.3482143), wk = 0.0027855 k( 41) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0027855 k( 42) = ( 0.3660714 -0.3660714 0.3660714), wk = 0.0027855 k( 43) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0027855 k( 44) = ( 0.3839286 -0.3839286 0.3839286), wk = 0.0027855 k( 45) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0027855 k( 46) = ( 0.4017857 -0.4017857 0.4017857), wk = 0.0027855 k( 47) = ( 0.4107143 -0.4107143 0.4107143), wk = 0.0027855 k( 48) = ( 0.4196429 -0.4196429 0.4196429), wk = 0.0027855 k( 49) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0027855 k( 50) = ( 0.4375000 -0.4375000 0.4375000), wk = 0.0027855 k( 51) = ( 0.4464286 -0.4464286 0.4464286), wk = 0.0027855 k( 52) = ( 0.4553571 -0.4553571 0.4553571), wk = 0.0027855 k( 53) = ( 0.4642857 -0.4642857 0.4642857), wk = 0.0027855 k( 54) = ( 0.4732143 -0.4732143 0.4732143), wk = 0.0027855 k( 55) = ( 0.4821429 -0.4821429 0.4821429), wk = 0.0027855 k( 56) = ( 0.4910714 -0.4910714 0.4910714), wk = 0.0027855 k( 57) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 58) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 k( 61) = ( 0.5000000 -0.4846154 0.5000000), wk = 0.0027855 k( 62) = ( 0.5000000 -0.4692308 0.5000000), wk = 0.0027855 k( 63) = ( 0.5000000 -0.4538462 0.5000000), wk = 0.0027855 k( 64) = ( 0.5000000 -0.4384615 0.5000000), wk = 0.0027855 k( 65) = ( 0.5000000 -0.4230769 0.5000000), wk = 0.0027855 k( 66) = ( 0.5000000 -0.4076923 0.5000000), wk = 0.0027855 k( 67) = ( 0.5000000 -0.3923077 0.5000000), wk = 0.0027855 k( 68) = ( 0.5000000 -0.3769231 0.5000000), wk = 0.0027855 k( 69) = ( 0.5000000 -0.3615385 0.5000000), wk = 0.0027855 k( 70) = ( 0.5000000 -0.3461538 0.5000000), wk = 0.0027855 k( 71) = ( 0.5000000 -0.3307692 0.5000000), wk = 0.0027855 k( 72) = ( 0.5000000 -0.3153846 0.5000000), wk = 0.0027855 k( 73) = ( 0.5000000 -0.3000000 0.5000000), wk = 0.0027855 k( 74) = ( 0.5000000 -0.2846154 0.5000000), wk = 0.0027855 k( 75) = ( 0.5000000 -0.2692308 0.5000000), wk = 0.0027855 k( 76) = ( 0.5000000 -0.2538461 0.5000000), wk = 0.0027855 k( 77) = ( 0.5000000 -0.2384615 0.5000000), wk = 0.0027855 k( 78) = ( 0.5000000 -0.2230769 0.5000000), wk = 0.0027855 k( 79) = ( 0.5000000 -0.2076923 0.5000000), wk = 0.0027855 k( 80) = ( 0.5000000 -0.1923077 0.5000000), wk = 0.0027855 k( 81) = ( 0.5000000 -0.1769231 0.5000000), wk = 0.0027855 k( 82) = ( 0.5000000 -0.1615385 0.5000000), wk = 0.0027855 k( 83) = ( 0.5000000 -0.1461539 0.5000000), wk = 0.0027855 k( 84) = ( 0.5000000 -0.1307692 0.5000000), wk = 0.0027855 k( 85) = ( 0.5000000 -0.1153846 0.5000000), wk = 0.0027855 k( 86) = ( 0.5000000 -0.1000000 0.5000000), wk = 0.0027855 k( 87) = ( 0.5000000 -0.0846154 0.5000000), wk = 0.0027855 k( 88) = ( 0.5000000 -0.0692308 0.5000000), wk = 0.0027855 k( 89) = ( 0.5000000 -0.0538462 0.5000000), wk = 0.0027855 k( 90) = ( 0.5000000 -0.0384615 0.5000000), wk = 0.0027855 k( 91) = ( 0.5000000 -0.0230769 0.5000000), wk = 0.0027855 k( 92) = ( 0.5000000 -0.0076923 0.5000000), wk = 0.0027855 k( 93) = ( 0.5000000 0.0076923 0.5000000), wk = 0.0027855 k( 94) = ( 0.5000000 0.0230769 0.5000000), wk = 0.0027855 k( 95) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027855 k( 96) = ( 0.5000000 0.0538462 0.5000000), wk = 0.0027855 k( 97) = ( 0.5000000 0.0692308 0.5000000), wk = 0.0027855 k( 98) = ( 0.5000000 0.0846154 0.5000000), wk = 0.0027855 k( 99) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027855 k( 100) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027855 k( 101) = ( 0.5000000 0.1307692 0.5000000), wk = 0.0027855 k( 102) = ( 0.5000000 0.1461539 0.5000000), wk = 0.0027855 k( 103) = ( 0.5000000 0.1615385 0.5000000), wk = 0.0027855 k( 104) = ( 0.5000000 0.1769231 0.5000000), wk = 0.0027855 k( 105) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027855 k( 106) = ( 0.5000000 0.2076923 0.5000000), wk = 0.0027855 k( 107) = ( 0.5000000 0.2230769 0.5000000), wk = 0.0027855 k( 108) = ( 0.5000000 0.2384615 0.5000000), wk = 0.0027855 k( 109) = ( 0.5000000 0.2538461 0.5000000), wk = 0.0027855 k( 110) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027855 k( 111) = ( 0.5000000 0.2846154 0.5000000), wk = 0.0027855 k( 112) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027855 k( 113) = ( 0.5000000 0.3153846 0.5000000), wk = 0.0027855 k( 114) = ( 0.5000000 0.3307692 0.5000000), wk = 0.0027855 k( 115) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027855 k( 116) = ( 0.5000000 0.3615385 0.5000000), wk = 0.0027855 k( 117) = ( 0.5000000 0.3769231 0.5000000), wk = 0.0027855 k( 118) = ( 0.5000000 0.3923077 0.5000000), wk = 0.0027855 k( 119) = ( 0.5000000 0.4076923 0.5000000), wk = 0.0027855 k( 120) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027855 k( 121) = ( 0.5000000 0.4384615 0.5000000), wk = 0.0027855 k( 122) = ( 0.5000000 0.4538462 0.5000000), wk = 0.0027855 k( 123) = ( 0.5000000 0.4692308 0.5000000), wk = 0.0027855 k( 124) = ( 0.5000000 0.4846154 0.5000000), wk = 0.0027855 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 127) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0027855 k( 128) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0027855 k( 129) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0027855 k( 130) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0027855 k( 131) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0027855 k( 132) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0027855 k( 133) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855 k( 134) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0027855 k( 135) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0027855 k( 136) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0027855 k( 137) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0027855 k( 138) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0027855 k( 139) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0027855 k( 140) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855 k( 141) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0027855 k( 142) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0027855 k( 143) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0027855 k( 144) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0027855 k( 145) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0027855 k( 146) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0027855 k( 147) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855 k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0027855 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0027855 k( 150) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0027855 k( 151) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0027855 k( 152) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0027855 k( 153) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0027855 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855 k( 155) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0027855 k( 156) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0027855 k( 157) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0027855 k( 158) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0027855 k( 159) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0027855 k( 160) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0027855 k( 161) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855 k( 162) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0027855 k( 163) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0027855 k( 164) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0027855 k( 165) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0027855 k( 166) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0027855 k( 167) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0027855 k( 168) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855 k( 169) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0027855 k( 170) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0027855 k( 171) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0027855 k( 172) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0027855 k( 173) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0027855 k( 174) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0027855 k( 175) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855 k( 176) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0027855 k( 177) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0027855 k( 178) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0027855 k( 179) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0027855 k( 180) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0027855 k( 181) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0027855 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 184) = ( 0.0108696 -0.0108696 0.0000000), wk = 0.0027855 k( 185) = ( 0.0217391 -0.0217391 -0.0000000), wk = 0.0027855 k( 186) = ( 0.0326087 -0.0326087 0.0000000), wk = 0.0027855 k( 187) = ( 0.0434783 -0.0434783 -0.0000000), wk = 0.0027855 k( 188) = ( 0.0543478 -0.0543478 -0.0000000), wk = 0.0027855 k( 189) = ( 0.0652174 -0.0652174 0.0000000), wk = 0.0027855 k( 190) = ( 0.0760870 -0.0760870 0.0000000), wk = 0.0027855 k( 191) = ( 0.0869565 -0.0869565 -0.0000000), wk = 0.0027855 k( 192) = ( 0.0978261 -0.0978261 0.0000000), wk = 0.0027855 k( 193) = ( 0.1086957 -0.1086957 0.0000000), wk = 0.0027855 k( 194) = ( 0.1195652 -0.1195652 0.0000000), wk = 0.0027855 k( 195) = ( 0.1304348 -0.1304348 0.0000000), wk = 0.0027855 k( 196) = ( 0.1413043 -0.1413043 -0.0000000), wk = 0.0027855 k( 197) = ( 0.1521739 -0.1521739 0.0000000), wk = 0.0027855 k( 198) = ( 0.1630435 -0.1630435 -0.0000000), wk = 0.0027855 k( 199) = ( 0.1739130 -0.1739130 -0.0000000), wk = 0.0027855 k( 200) = ( 0.1847826 -0.1847826 -0.0000000), wk = 0.0027855 k( 201) = ( 0.1956522 -0.1956522 -0.0000000), wk = 0.0027855 k( 202) = ( 0.2065217 -0.2065217 0.0000000), wk = 0.0027855 k( 203) = ( 0.2173913 -0.2173913 0.0000000), wk = 0.0027855 k( 204) = ( 0.2282609 -0.2282609 0.0000000), wk = 0.0027855 k( 205) = ( 0.2391304 -0.2391304 0.0000000), wk = 0.0027855 k( 206) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0027855 k( 207) = ( 0.2608696 -0.2608696 0.0000000), wk = 0.0027855 k( 208) = ( 0.2717391 -0.2717391 0.0000000), wk = 0.0027855 k( 209) = ( 0.2826087 -0.2826087 -0.0000000), wk = 0.0027855 k( 210) = ( 0.2934783 -0.2934783 0.0000000), wk = 0.0027855 k( 211) = ( 0.3043478 -0.3043478 0.0000000), wk = 0.0027855 k( 212) = ( 0.3152174 -0.3152174 -0.0000000), wk = 0.0027855 k( 213) = ( 0.3260870 -0.3260870 -0.0000000), wk = 0.0027855 k( 214) = ( 0.3369565 -0.3369565 0.0000000), wk = 0.0027855 k( 215) = ( 0.3478261 -0.3478261 0.0000000), wk = 0.0027855 k( 216) = ( 0.3586956 -0.3586956 -0.0000000), wk = 0.0027855 k( 217) = ( 0.3695652 -0.3695652 -0.0000000), wk = 0.0027855 k( 218) = ( 0.3804348 -0.3804348 0.0000000), wk = 0.0027855 k( 219) = ( 0.3913044 -0.3913044 0.0000000), wk = 0.0027855 k( 220) = ( 0.4021739 -0.4021739 -0.0000000), wk = 0.0027855 k( 221) = ( 0.4130435 -0.4130435 0.0000000), wk = 0.0027855 k( 222) = ( 0.4239130 -0.4239130 0.0000000), wk = 0.0027855 k( 223) = ( 0.4347826 -0.4347826 0.0000000), wk = 0.0027855 k( 224) = ( 0.4456522 -0.4456522 0.0000000), wk = 0.0027855 k( 225) = ( 0.4565217 -0.4565217 0.0000000), wk = 0.0027855 k( 226) = ( 0.4673913 -0.4673913 0.0000000), wk = 0.0027855 k( 227) = ( 0.4782609 -0.4782609 0.0000000), wk = 0.0027855 k( 228) = ( 0.4891304 -0.4891304 0.0000000), wk = 0.0027855 k( 229) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855 k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855 k( 231) = ( 0.5000000 -0.5000000 -0.0151515), wk = 0.0027855 k( 232) = ( 0.5000000 -0.5000000 -0.0303030), wk = 0.0027855 k( 233) = ( 0.5000000 -0.5000000 -0.0454546), wk = 0.0027855 k( 234) = ( 0.5000000 -0.5000000 -0.0606061), wk = 0.0027855 k( 235) = ( 0.5000000 -0.5000000 -0.0757576), wk = 0.0027855 k( 236) = ( 0.5000000 -0.5000000 -0.0909091), wk = 0.0027855 k( 237) = ( 0.5000000 -0.5000000 -0.1060606), wk = 0.0027855 k( 238) = ( 0.5000000 -0.5000000 -0.1212121), wk = 0.0027855 k( 239) = ( 0.5000000 -0.5000000 -0.1363636), wk = 0.0027855 k( 240) = ( 0.5000000 -0.5000000 -0.1515151), wk = 0.0027855 k( 241) = ( 0.5000000 -0.5000000 -0.1666667), wk = 0.0027855 k( 242) = ( 0.5000000 -0.5000000 -0.1818182), wk = 0.0027855 k( 243) = ( 0.5000000 -0.5000000 -0.1969697), wk = 0.0027855 k( 244) = ( 0.5000000 -0.5000000 -0.2121212), wk = 0.0027855 k( 245) = ( 0.5000000 -0.5000000 -0.2272727), wk = 0.0027855 k( 246) = ( 0.5000000 -0.5000000 -0.2424242), wk = 0.0027855 k( 247) = ( 0.5000000 -0.5000000 -0.2575758), wk = 0.0027855 k( 248) = ( 0.5000000 -0.5000000 -0.2727273), wk = 0.0027855 k( 249) = ( 0.5000000 -0.5000000 -0.2878788), wk = 0.0027855 k( 250) = ( 0.5000000 -0.5000000 -0.3030303), wk = 0.0027855 k( 251) = ( 0.5000000 -0.5000000 -0.3181818), wk = 0.0027855 k( 252) = ( 0.5000000 -0.5000000 -0.3333333), wk = 0.0027855 k( 253) = ( 0.5000000 -0.5000000 -0.3484849), wk = 0.0027855 k( 254) = ( 0.5000000 -0.5000000 -0.3636364), wk = 0.0027855 k( 255) = ( 0.5000000 -0.5000000 -0.3787879), wk = 0.0027855 k( 256) = ( 0.5000000 -0.5000000 -0.3939394), wk = 0.0027855 k( 257) = ( 0.5000000 -0.5000000 -0.4090909), wk = 0.0027855 k( 258) = ( 0.5000000 -0.5000000 -0.4242424), wk = 0.0027855 k( 259) = ( 0.5000000 -0.5000000 -0.4393939), wk = 0.0027855 k( 260) = ( 0.5000000 -0.5000000 -0.4545455), wk = 0.0027855 k( 261) = ( 0.5000000 -0.5000000 -0.4696970), wk = 0.0027855 k( 262) = ( 0.5000000 -0.5000000 -0.4848485), wk = 0.0027855 k( 263) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 264) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 265) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 266) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855 k( 267) = ( 0.5000000 -0.4891304 -0.4891304), wk = 0.0027855 k( 268) = ( 0.5000000 -0.4782609 -0.4782609), wk = 0.0027855 k( 269) = ( 0.5000000 -0.4673913 -0.4673913), wk = 0.0027855 k( 270) = ( 0.5000000 -0.4565217 -0.4565217), wk = 0.0027855 k( 271) = ( 0.5000000 -0.4456522 -0.4456522), wk = 0.0027855 k( 272) = ( 0.5000000 -0.4347826 -0.4347826), wk = 0.0027855 k( 273) = ( 0.5000000 -0.4239130 -0.4239130), wk = 0.0027855 k( 274) = ( 0.5000000 -0.4130435 -0.4130435), wk = 0.0027855 k( 275) = ( 0.5000000 -0.4021739 -0.4021739), wk = 0.0027855 k( 276) = ( 0.5000000 -0.3913044 -0.3913044), wk = 0.0027855 k( 277) = ( 0.5000000 -0.3804348 -0.3804348), wk = 0.0027855 k( 278) = ( 0.5000000 -0.3695652 -0.3695652), wk = 0.0027855 k( 279) = ( 0.5000000 -0.3586956 -0.3586956), wk = 0.0027855 k( 280) = ( 0.5000000 -0.3478261 -0.3478261), wk = 0.0027855 k( 281) = ( 0.5000000 -0.3369565 -0.3369565), wk = 0.0027855 k( 282) = ( 0.5000000 -0.3260870 -0.3260870), wk = 0.0027855 k( 283) = ( 0.5000000 -0.3152174 -0.3152174), wk = 0.0027855 k( 284) = ( 0.5000000 -0.3043478 -0.3043478), wk = 0.0027855 k( 285) = ( 0.5000000 -0.2934783 -0.2934783), wk = 0.0027855 k( 286) = ( 0.5000000 -0.2826087 -0.2826087), wk = 0.0027855 k( 287) = ( 0.5000000 -0.2717391 -0.2717391), wk = 0.0027855 k( 288) = ( 0.5000000 -0.2608696 -0.2608696), wk = 0.0027855 k( 289) = ( 0.5000000 -0.2500000 -0.2500000), wk = 0.0027855 k( 290) = ( 0.5000000 -0.2391304 -0.2391304), wk = 0.0027855 k( 291) = ( 0.5000000 -0.2282609 -0.2282609), wk = 0.0027855 k( 292) = ( 0.5000000 -0.2173913 -0.2173913), wk = 0.0027855 k( 293) = ( 0.5000000 -0.2065217 -0.2065217), wk = 0.0027855 k( 294) = ( 0.5000000 -0.1956522 -0.1956522), wk = 0.0027855 k( 295) = ( 0.5000000 -0.1847826 -0.1847826), wk = 0.0027855 k( 296) = ( 0.5000000 -0.1739130 -0.1739130), wk = 0.0027855 k( 297) = ( 0.5000000 -0.1630435 -0.1630435), wk = 0.0027855 k( 298) = ( 0.5000000 -0.1521739 -0.1521739), wk = 0.0027855 k( 299) = ( 0.5000000 -0.1413043 -0.1413043), wk = 0.0027855 k( 300) = ( 0.5000000 -0.1304348 -0.1304348), wk = 0.0027855 k( 301) = ( 0.5000000 -0.1195652 -0.1195652), wk = 0.0027855 k( 302) = ( 0.5000000 -0.1086957 -0.1086957), wk = 0.0027855 k( 303) = ( 0.5000000 -0.0978261 -0.0978261), wk = 0.0027855 k( 304) = ( 0.5000000 -0.0869565 -0.0869565), wk = 0.0027855 k( 305) = ( 0.5000000 -0.0760870 -0.0760870), wk = 0.0027855 k( 306) = ( 0.5000000 -0.0652174 -0.0652174), wk = 0.0027855 k( 307) = ( 0.5000000 -0.0543478 -0.0543478), wk = 0.0027855 k( 308) = ( 0.5000000 -0.0434783 -0.0434783), wk = 0.0027855 k( 309) = ( 0.5000000 -0.0326087 -0.0326087), wk = 0.0027855 k( 310) = ( 0.5000000 -0.0217391 -0.0217391), wk = 0.0027855 k( 311) = ( 0.5000000 -0.0108696 -0.0108696), wk = 0.0027855 k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855 k( 313) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855 k( 314) = ( 0.5000000 -0.0108696 0.0108696), wk = 0.0027855 k( 315) = ( 0.5000000 -0.0217391 0.0217391), wk = 0.0027855 k( 316) = ( 0.5000000 -0.0326087 0.0326087), wk = 0.0027855 k( 317) = ( 0.5000000 -0.0434783 0.0434783), wk = 0.0027855 k( 318) = ( 0.5000000 -0.0543478 0.0543478), wk = 0.0027855 k( 319) = ( 0.5000000 -0.0652174 0.0652174), wk = 0.0027855 k( 320) = ( 0.5000000 -0.0760870 0.0760870), wk = 0.0027855 k( 321) = ( 0.5000000 -0.0869565 0.0869565), wk = 0.0027855 k( 322) = ( 0.5000000 -0.0978261 0.0978261), wk = 0.0027855 k( 323) = ( 0.5000000 -0.1086957 0.1086957), wk = 0.0027855 k( 324) = ( 0.5000000 -0.1195652 0.1195652), wk = 0.0027855 k( 325) = ( 0.5000000 -0.1304348 0.1304348), wk = 0.0027855 k( 326) = ( 0.5000000 -0.1413043 0.1413043), wk = 0.0027855 k( 327) = ( 0.5000000 -0.1521739 0.1521739), wk = 0.0027855 k( 328) = ( 0.5000000 -0.1630435 0.1630435), wk = 0.0027855 k( 329) = ( 0.5000000 -0.1739130 0.1739130), wk = 0.0027855 k( 330) = ( 0.5000000 -0.1847826 0.1847826), wk = 0.0027855 k( 331) = ( 0.5000000 -0.1956522 0.1956522), wk = 0.0027855 k( 332) = ( 0.5000000 -0.2065217 0.2065217), wk = 0.0027855 k( 333) = ( 0.5000000 -0.2173913 0.2173913), wk = 0.0027855 k( 334) = ( 0.5000000 -0.2282609 0.2282609), wk = 0.0027855 k( 335) = ( 0.5000000 -0.2391304 0.2391304), wk = 0.0027855 k( 336) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0027855 k( 337) = ( 0.5000000 -0.2608696 0.2608696), wk = 0.0027855 k( 338) = ( 0.5000000 -0.2717391 0.2717391), wk = 0.0027855 k( 339) = ( 0.5000000 -0.2826087 0.2826087), wk = 0.0027855 k( 340) = ( 0.5000000 -0.2934783 0.2934783), wk = 0.0027855 k( 341) = ( 0.5000000 -0.3043478 0.3043478), wk = 0.0027855 k( 342) = ( 0.5000000 -0.3152174 0.3152174), wk = 0.0027855 k( 343) = ( 0.5000000 -0.3260870 0.3260870), wk = 0.0027855 k( 344) = ( 0.5000000 -0.3369565 0.3369565), wk = 0.0027855 k( 345) = ( 0.5000000 -0.3478261 0.3478261), wk = 0.0027855 k( 346) = ( 0.5000000 -0.3586956 0.3586956), wk = 0.0027855 k( 347) = ( 0.5000000 -0.3695652 0.3695652), wk = 0.0027855 k( 348) = ( 0.5000000 -0.3804348 0.3804348), wk = 0.0027855 k( 349) = ( 0.5000000 -0.3913044 0.3913044), wk = 0.0027855 k( 350) = ( 0.5000000 -0.4021739 0.4021739), wk = 0.0027855 k( 351) = ( 0.5000000 -0.4130435 0.4130435), wk = 0.0027855 k( 352) = ( 0.5000000 -0.4239130 0.4239130), wk = 0.0027855 k( 353) = ( 0.5000000 -0.4347826 0.4347826), wk = 0.0027855 k( 354) = ( 0.5000000 -0.4456522 0.4456522), wk = 0.0027855 k( 355) = ( 0.5000000 -0.4565217 0.4565217), wk = 0.0027855 k( 356) = ( 0.5000000 -0.4673913 0.4673913), wk = 0.0027855 k( 357) = ( 0.5000000 -0.4782609 0.4782609), wk = 0.0027855 k( 358) = ( 0.5000000 -0.4891304 0.4891304), wk = 0.0027855 k( 359) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855 Dense grid: 41851 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 230, 56) NL pseudopotentials 0.27 Mb ( 115, 152) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 872) G-vector shells 0.00 Mb ( 265) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 230, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) Each matrix 0.26 Mb ( 152, 2, 56) The potential is recalculated from file : ./Ag3SI.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 46.4 secs Computing kpt #: 3 total cpu time spent up to now is 50.3 secs Computing kpt #: 4 total cpu time spent up to now is 53.7 secs Computing kpt #: 5 total cpu time spent up to now is 56.9 secs Computing kpt #: 6 total cpu time spent up to now is 59.7 secs Computing kpt #: 7 total cpu time spent up to now is 62.3 secs Computing kpt #: 8 total cpu time spent up to now is 64.9 secs Computing kpt #: 9 total cpu time spent up to now is 67.5 secs Computing kpt #: 10 total cpu time spent up to now is 70.1 secs Computing kpt #: 11 total cpu time spent up to now is 72.6 secs Computing kpt #: 12 total cpu time spent up to now is 75.0 secs Computing kpt #: 13 total cpu time spent up to now is 77.2 secs Computing kpt #: 14 total cpu time spent up to now is 79.4 secs Computing kpt #: 15 total cpu time spent up to now is 81.6 secs Computing kpt #: 16 total cpu time spent up to now is 83.9 secs Computing kpt #: 17 total cpu time spent up to now is 86.0 secs Computing kpt #: 18 total cpu time spent up to now is 88.1 secs Computing kpt #: 19 total cpu time spent up to now is 90.2 secs Computing kpt #: 20 total cpu time spent up to now is 92.3 secs Computing kpt #: 21 total cpu time spent up to now is 94.5 secs Computing kpt #: 22 total cpu time spent up to now is 96.5 secs Computing kpt #: 23 total cpu time spent up to now is 98.5 secs Computing kpt #: 24 total cpu time spent up to now is 100.5 secs Computing kpt #: 25 total cpu time spent up to now is 102.4 secs Computing kpt #: 26 total cpu time spent up to now is 104.3 secs Computing kpt #: 27 total cpu time spent up to now is 106.3 secs Computing kpt #: 28 total cpu time spent up to now is 108.3 secs Computing kpt #: 29 total cpu time spent up to now is 110.2 secs Computing kpt #: 30 total cpu time spent up to now is 112.2 secs Computing kpt #: 31 total cpu time spent up to now is 114.1 secs Computing kpt #: 32 total cpu time spent up to now is 116.1 secs Computing kpt #: 33 total cpu time spent up to now is 118.1 secs Computing kpt 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spent up to now is 151.3 secs Computing kpt #: 50 total cpu time spent up to now is 153.3 secs Computing kpt #: 51 total cpu time spent up to now is 155.3 secs Computing kpt #: 52 total cpu time spent up to now is 157.2 secs Computing kpt #: 53 total cpu time spent up to now is 159.2 secs Computing kpt #: 54 total cpu time spent up to now is 161.1 secs Computing kpt #: 55 total cpu time spent up to now is 163.0 secs Computing kpt #: 56 total cpu time spent up to now is 165.0 secs Computing kpt #: 57 total cpu time spent up to now is 166.8 secs Computing kpt #: 58 total cpu time spent up to now is 168.7 secs Computing kpt #: 59 total cpu time spent up to now is 170.5 secs Computing kpt #: 60 total cpu time spent up to now is 172.4 secs Computing kpt #: 61 total cpu time spent up to now is 174.4 secs Computing kpt #: 62 total cpu time spent up to now is 176.5 secs Computing kpt #: 63 total cpu time spent up to now is 178.5 secs Computing kpt #: 64 total cpu time spent up to now is 180.6 secs Computing kpt #: 65 total cpu time spent up to now is 182.8 secs Computing kpt #: 66 total cpu time spent up to now is 184.9 secs Computing kpt #: 67 total cpu time spent up to now is 186.9 secs Computing kpt #: 68 total cpu time spent up to now is 189.0 secs Computing kpt #: 69 total cpu time spent up to now is 191.1 secs Computing kpt #: 70 total cpu time spent up to now is 193.1 secs Computing kpt #: 71 total cpu time spent up to now is 195.1 secs Computing kpt #: 72 total cpu time spent up to now is 197.0 secs Computing kpt #: 73 total cpu time spent up to now is 199.0 secs Computing kpt #: 74 total cpu time spent up to now is 201.0 secs Computing kpt #: 75 total cpu time spent up to now is 202.9 secs Computing kpt #: 76 total cpu time spent up to now is 204.8 secs Computing kpt #: 77 total cpu time spent up to now is 206.8 secs Computing kpt #: 78 total cpu time spent up to now is 208.7 secs Computing kpt #: 79 total cpu time spent up to now is 210.7 secs Computing kpt #: 80 total cpu time spent up to now is 212.7 secs Computing kpt #: 81 total cpu time spent up to now is 214.8 secs Computing kpt #: 82 total cpu time spent up to now is 216.7 secs Computing kpt #: 83 total cpu time spent up to now is 218.8 secs Computing kpt #: 84 total cpu time spent up to now is 220.9 secs Computing kpt #: 85 total cpu time spent up to now is 222.9 secs Computing kpt #: 86 total cpu time spent up to now is 224.9 secs Computing kpt #: 87 total cpu time spent up to now is 226.9 secs Computing kpt #: 88 total cpu time spent up to now is 228.9 secs Computing kpt #: 89 total cpu time spent up to now is 231.0 secs Computing kpt #: 90 total cpu time spent up to now is 233.0 secs Computing kpt #: 91 total cpu time spent up to now is 235.0 secs Computing kpt #: 92 total cpu time spent up to now is 237.0 secs Computing kpt #: 93 total cpu time spent up to now is 239.1 secs Computing kpt #: 94 total cpu time spent up to now is 241.1 secs Computing kpt #: 95 total cpu time spent up to now is 243.2 secs Computing kpt #: 96 total cpu time spent up to now is 245.2 secs Computing kpt #: 97 total cpu time spent up to now is 247.6 secs Computing kpt #: 98 total cpu time spent up to now is 250.1 secs Computing kpt #: 99 total cpu time spent up to now is 253.1 secs Computing kpt #: 100 total cpu time spent up to now is 255.4 secs Computing kpt #: 101 total cpu time spent up to now is 257.4 secs Computing kpt #: 102 total cpu time spent up to now is 259.5 secs Computing kpt #: 103 total cpu time spent up to now is 261.6 secs Computing kpt #: 104 total cpu time spent up to now is 263.6 secs Computing kpt #: 105 total cpu time spent up to now is 265.6 secs Computing kpt #: 106 total cpu time spent up to now is 267.6 secs Computing kpt #: 107 total cpu time spent up to now is 269.7 secs Computing kpt #: 108 total cpu time spent up to now is 272.1 secs Computing kpt #: 109 total cpu time spent up to now is 274.1 secs Computing kpt #: 110 total cpu time spent up to now is 276.0 secs Computing kpt #: 111 total cpu time spent up to now is 278.0 secs Computing kpt #: 112 total cpu time spent up to now is 279.9 secs Computing kpt #: 113 total cpu time spent up to now is 281.9 secs Computing kpt #: 114 total cpu time spent up to now is 283.9 secs Computing kpt #: 115 total cpu time spent up to now is 285.9 secs Computing kpt #: 116 total cpu time spent up to now is 287.9 secs Computing kpt #: 117 total cpu time spent up to now is 290.1 secs Computing kpt #: 118 total cpu time spent up to now is 292.1 secs Computing kpt #: 119 total cpu time spent up to now is 294.2 secs Computing kpt #: 120 total cpu time spent up to now is 296.3 secs Computing kpt #: 121 total cpu time spent up to now is 298.4 secs Computing kpt #: 122 total cpu time spent up to now is 300.4 secs Computing kpt #: 123 total cpu time spent up to now is 302.3 secs Computing kpt #: 124 total cpu time spent up to now is 304.3 secs Computing kpt #: 125 total cpu time spent up to now is 306.3 secs Computing kpt #: 126 total cpu time spent up to now is 308.3 secs Computing kpt #: 127 total cpu time spent up to now is 310.2 secs Computing kpt #: 128 total cpu time spent up to now is 312.2 secs Computing kpt #: 129 total cpu time spent up to now is 314.2 secs Computing kpt #: 130 total cpu time spent up to now is 316.2 secs Computing kpt #: 131 total cpu time spent up to now is 318.2 secs Computing kpt #: 132 total cpu time spent up to now is 320.3 secs Computing kpt #: 133 total cpu time spent up to now is 322.3 secs Computing kpt #: 134 total cpu time spent up to now is 324.3 secs Computing kpt #: 135 total cpu time spent up to now is 326.3 secs Computing kpt #: 136 total cpu time spent up to now is 328.4 secs Computing kpt #: 137 total cpu time spent up to now is 330.5 secs Computing kpt #: 138 total cpu time spent up to now is 332.5 secs Computing kpt #: 139 total cpu time spent up to now is 334.6 secs Computing kpt #: 140 total cpu time spent up to now is 336.7 secs Computing kpt #: 141 total cpu time spent up to now is 338.8 secs Computing kpt #: 142 total cpu time spent up to now is 340.8 secs Computing kpt #: 143 total cpu time spent up to now is 342.9 secs Computing kpt #: 144 total cpu time spent up to now is 345.1 secs Computing kpt #: 145 total cpu time spent up to now is 347.1 secs Computing kpt #: 146 total cpu time spent up to now is 349.0 secs Computing kpt #: 147 total cpu time spent up to now is 350.9 secs Computing kpt #: 148 total cpu time spent up to now is 352.7 secs Computing kpt #: 149 total cpu time spent up to now is 354.6 secs Computing kpt #: 150 total cpu time spent up to now is 356.7 secs Computing kpt #: 151 total cpu time spent up to now is 358.5 secs Computing kpt #: 152 total cpu time spent up to now is 360.3 secs Computing kpt #: 153 total cpu time spent up to now is 362.1 secs Computing kpt #: 154 total cpu time spent up to now is 364.0 secs Computing kpt #: 155 total cpu time spent up to now is 365.8 secs Computing kpt #: 156 total cpu time spent up to now is 367.8 secs Computing kpt #: 157 total cpu time spent up to now is 369.6 secs Computing kpt #: 158 total cpu time spent up to now is 371.4 secs Computing kpt #: 159 total cpu time spent up to now is 373.2 secs Computing kpt #: 160 total cpu time spent up to now is 375.0 secs Computing kpt #: 161 total cpu time spent up to now is 376.7 secs Computing kpt #: 162 total cpu time spent up to now is 378.5 secs Computing kpt #: 163 total cpu time spent up to now is 380.4 secs Computing kpt #: 164 total cpu time spent up to now is 382.2 secs Computing kpt #: 165 total cpu time spent up to now is 384.1 secs Computing kpt #: 166 total cpu time spent up to now is 386.0 secs Computing kpt #: 167 total cpu time spent up to now is 388.0 secs Computing kpt #: 168 total cpu time spent up to now is 389.9 secs Computing kpt #: 169 total cpu time spent up to now is 392.1 secs Computing kpt #: 170 total cpu time spent up to now is 394.6 secs Computing kpt #: 171 total cpu time spent up to now is 397.1 secs Computing kpt #: 172 total cpu time spent up to now is 399.7 secs Computing kpt #: 173 total cpu time spent up to now is 402.4 secs Computing kpt #: 174 total cpu time spent up to now is 405.2 secs Computing kpt #: 175 total cpu time spent up to now is 408.0 secs Computing kpt #: 176 total cpu time spent up to now is 410.6 secs Computing kpt #: 177 total cpu time spent up to now is 413.2 secs Computing kpt #: 178 total cpu time spent up to now is 415.8 secs Computing kpt #: 179 total cpu time spent up to now is 418.3 secs Computing kpt #: 180 total cpu time spent up to now is 421.1 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.8 secs Computing kpt #: 182 total cpu time spent up to now is 428.5 secs Computing kpt #: 183 total cpu time spent up to now is 431.1 secs Computing kpt #: 184 total cpu time spent up to now is 434.1 secs Computing kpt #: 185 total cpu time spent up to now is 437.4 secs Computing kpt #: 186 total cpu time spent up to now is 441.1 secs Computing kpt #: 187 total cpu time spent up to now is 444.2 secs Computing kpt #: 188 total cpu time spent up to now is 447.6 secs Computing kpt #: 189 total cpu time spent up to now is 450.7 secs Computing kpt #: 190 total cpu time spent up to now is 453.9 secs Computing kpt #: 191 total cpu time spent up to now is 456.9 secs Computing kpt #: 192 total cpu time spent up to now is 459.8 secs Computing kpt #: 193 total cpu time spent up to now is 462.6 secs Computing kpt #: 194 total cpu time spent up to now is 465.2 secs Computing kpt #: 195 total cpu time spent up to now is 467.9 secs Computing kpt #: 196 total cpu time spent up to now is 470.5 secs Computing kpt #: 197 total cpu time spent up to now is 473.1 secs Computing kpt #: 198 total cpu time spent up to now is 475.8 secs Computing kpt #: 199 total cpu time spent up to now is 478.4 secs Computing kpt #: 200 total cpu time spent up to now is 480.9 secs Computing kpt #: 201 total cpu time spent up to now is 483.1 secs Computing kpt #: 202 total cpu time spent up to now is 485.3 secs Computing kpt #: 203 total cpu time spent up to now is 487.3 secs Computing kpt #: 204 total cpu time spent up to now is 489.7 secs Computing kpt #: 205 total cpu time spent up to now is 491.8 secs Computing kpt #: 206 total cpu time spent up to now is 494.0 secs Computing kpt #: 207 total cpu time spent up to now is 496.0 secs Computing kpt #: 208 total cpu time spent up to now is 498.0 secs Computing kpt #: 209 total cpu time spent up to now is 500.1 secs Computing kpt #: 210 total cpu time spent up to now is 502.1 secs Computing kpt #: 211 total cpu time spent up to now is 504.1 secs Computing kpt #: 212 total cpu time spent up to now is 506.2 secs Computing kpt #: 213 total cpu time spent up to now is 508.4 secs Computing kpt #: 214 total cpu time spent up to now is 510.4 secs Computing kpt #: 215 total cpu time spent up to now is 512.4 secs Computing kpt #: 216 total cpu time spent up to now is 514.4 secs Computing kpt #: 217 total cpu time spent up to now is 516.3 secs Computing kpt #: 218 total cpu time spent up to now is 518.2 secs Computing kpt #: 219 total cpu time spent up to now is 520.1 secs Computing kpt #: 220 total cpu time spent up to now is 522.0 secs Computing kpt #: 221 total cpu time spent up to now is 524.0 secs Computing kpt #: 222 total cpu time spent up to now is 525.9 secs Computing kpt #: 223 total cpu time spent up to now is 527.9 secs Computing kpt #: 224 total cpu time spent up to now is 529.9 secs Computing kpt #: 225 total cpu time spent up to now is 531.9 secs Computing kpt #: 226 total cpu time spent up to now is 534.0 secs Computing kpt #: 227 total cpu time spent up to now is 536.1 secs Computing kpt #: 228 total cpu time spent up to now is 538.1 secs Computing kpt #: 229 total cpu time spent up to now is 540.0 secs Computing kpt #: 230 total cpu time spent up to now is 542.1 secs Computing kpt #: 231 total cpu time spent up to now is 544.2 secs Computing kpt #: 232 total cpu time spent up to now is 546.2 secs Computing kpt #: 233 total cpu time spent up to now is 549.8 secs Computing kpt #: 234 total cpu time spent up to now is 552.7 secs Computing kpt #: 235 total cpu time spent up to now is 554.9 secs Computing kpt #: 236 total cpu time spent up to now is 557.0 secs Computing kpt #: 237 total cpu time spent up to now is 558.9 secs Computing kpt #: 238 total cpu time spent up to now is 560.9 secs Computing kpt #: 239 total cpu time spent up to now is 562.9 secs Computing kpt #: 240 total cpu time spent up to now is 564.9 secs Computing kpt #: 241 total cpu time spent up to now is 566.8 secs Computing kpt #: 242 total cpu time spent up to now is 568.8 secs Computing kpt #: 243 total cpu time spent up to now is 570.8 secs Computing kpt #: 244 total cpu time spent up to now is 572.7 secs Computing kpt #: 245 total cpu time spent up to now is 574.7 secs Computing kpt #: 246 total cpu time spent up to now is 576.7 secs Computing kpt #: 247 total cpu time spent up to now is 578.7 secs Computing kpt #: 248 total cpu time spent up to now is 580.7 secs Computing kpt #: 249 total cpu time spent up to now is 582.6 secs Computing kpt #: 250 total cpu time spent up to now is 584.6 secs Computing kpt #: 251 total cpu time spent up to now is 586.6 secs Computing kpt #: 252 total cpu time spent up to now is 588.5 secs Computing kpt #: 253 total cpu time spent up to now is 590.5 secs Computing kpt #: 254 total cpu time spent up to now is 592.6 secs Computing kpt #: 255 total cpu time spent up to now is 594.7 secs Computing kpt #: 256 total cpu time spent up to now is 596.8 secs Computing kpt #: 257 total cpu time spent up to now is 598.9 secs Computing kpt #: 258 total cpu time spent up to now is 600.9 secs Computing kpt #: 259 total cpu time spent up to now is 603.0 secs Computing kpt #: 260 total cpu time spent up to now is 605.0 secs Computing kpt #: 261 total cpu time spent up to now is 606.9 secs Computing kpt #: 262 total cpu time spent up to now is 609.0 secs Computing kpt #: 263 total cpu time spent up to now is 610.9 secs Computing kpt #: 264 total cpu time spent up to now is 612.8 secs Computing kpt #: 265 total cpu time spent up to now is 614.8 secs Computing kpt #: 266 total cpu time spent up to now is 616.7 secs Computing kpt #: 267 total cpu time spent up to now is 618.6 secs Computing kpt #: 268 total cpu time spent up to now is 620.5 secs Computing kpt #: 269 total cpu time spent up to now is 622.4 secs Computing kpt #: 270 total cpu time spent up to now is 624.4 secs Computing kpt #: 271 total cpu time spent up to now is 626.4 secs Computing kpt #: 272 total cpu time spent up to now is 628.4 secs Computing kpt #: 273 total cpu time spent up to now is 630.4 secs Computing kpt #: 274 total cpu time spent up to now is 632.4 secs Computing kpt #: 275 total cpu time spent up to now is 634.5 secs Computing kpt #: 276 total cpu time spent up to now is 636.6 secs Computing kpt #: 277 total cpu time spent up to now is 638.7 secs Computing kpt #: 278 total cpu time spent up to now is 640.8 secs Computing kpt #: 279 total cpu time spent up to now is 642.9 secs Computing kpt #: 280 total cpu time spent up to now is 644.9 secs Computing kpt #: 281 total cpu time spent up to now is 647.0 secs Computing kpt #: 282 total cpu time spent up to now is 649.1 secs Computing kpt #: 283 total cpu time spent up to now is 651.2 secs Computing kpt #: 284 total cpu time spent up to now is 653.3 secs Computing kpt #: 285 total cpu time spent up to now is 655.4 secs Computing kpt #: 286 total cpu time spent up to now is 657.5 secs Computing kpt #: 287 total cpu time spent up to now is 659.6 secs Computing kpt #: 288 total cpu time spent up to now is 662.0 secs Computing kpt #: 289 total cpu time spent up to now is 664.2 secs Computing kpt #: 290 total cpu time spent up to now is 666.2 secs Computing kpt #: 291 total cpu time spent up to now is 668.3 secs Computing kpt #: 292 total cpu time spent up to now is 670.3 secs Computing kpt #: 293 total cpu time spent up to now is 672.3 secs Computing kpt #: 294 total cpu time spent up to now is 674.3 secs Computing kpt #: 295 total cpu time spent up to now is 676.4 secs Computing kpt #: 296 total cpu time spent up to now is 678.3 secs Computing kpt #: 297 total cpu time spent up to now is 680.4 secs Computing kpt #: 298 total cpu time spent up to now is 682.6 secs Computing kpt #: 299 total cpu time spent up to now is 684.5 secs Computing kpt #: 300 total cpu time spent up to now is 686.5 secs Computing kpt #: 301 total cpu time spent up to now is 688.6 secs Computing kpt #: 302 total cpu time spent up to now is 690.5 secs Computing kpt #: 303 total cpu time spent up to now is 692.5 secs Computing kpt #: 304 total cpu time spent up to now is 694.5 secs Computing kpt #: 305 total cpu time spent up to now is 696.5 secs Computing kpt #: 306 total cpu time spent up to now is 698.5 secs Computing kpt #: 307 total cpu time spent up to now is 700.4 secs Computing kpt #: 308 total cpu time spent up to now is 702.5 secs Computing kpt #: 309 total cpu time spent up to now is 704.5 secs Computing kpt #: 310 total cpu time spent up to now is 706.5 secs Computing kpt #: 311 total cpu time spent up to now is 708.6 secs Computing kpt #: 312 total cpu time spent up to now is 710.7 secs Computing kpt #: 313 total cpu time spent up to now is 713.0 secs Computing kpt #: 314 total cpu time spent up to now is 715.2 secs Computing kpt #: 315 total cpu time spent up to now is 717.4 secs Computing kpt #: 316 total cpu time spent up to now is 719.4 secs Computing kpt #: 317 total cpu time spent up to now is 721.4 secs Computing kpt #: 318 total cpu time spent up to now is 723.3 secs Computing kpt #: 319 total cpu time spent up to now is 725.3 secs Computing kpt #: 320 total cpu time spent up to now is 727.2 secs Computing kpt #: 321 total cpu time spent up to now is 729.2 secs Computing kpt #: 322 total cpu time spent up to now is 731.0 secs Computing kpt #: 323 total cpu time spent up to now is 732.9 secs Computing kpt #: 324 total cpu time spent up to now is 734.8 secs Computing kpt #: 325 total cpu time spent up to now is 736.7 secs Computing kpt #: 326 total cpu time spent up to now is 738.6 secs Computing kpt #: 327 total cpu time spent up to now is 740.6 secs Computing kpt #: 328 total cpu time spent up to now is 742.5 secs Computing kpt #: 329 total cpu time spent up to now is 744.4 secs Computing kpt #: 330 total cpu time spent up to now is 746.4 secs Computing kpt #: 331 total cpu time spent up to now is 748.4 secs Computing kpt #: 332 total cpu time spent up to now is 750.3 secs Computing kpt #: 333 total cpu time spent up to now is 752.3 secs Computing kpt #: 334 total cpu time spent up to now is 754.3 secs Computing kpt #: 335 total cpu time spent up to now is 756.3 secs Computing kpt #: 336 total cpu time spent up to now is 758.4 secs Computing kpt #: 337 total cpu time spent up to now is 760.5 secs Computing kpt #: 338 total cpu time spent up to now is 762.6 secs Computing kpt #: 339 total cpu time spent up to now is 764.7 secs Computing kpt #: 340 total cpu time spent up to now is 766.8 secs Computing kpt #: 341 total cpu time spent up to now is 768.8 secs Computing kpt #: 342 total cpu time spent up to now is 771.0 secs Computing kpt #: 343 total cpu time spent up to now is 773.1 secs Computing kpt #: 344 total cpu time spent up to now is 775.2 secs Computing kpt #: 345 total cpu time spent up to now is 777.3 secs Computing kpt #: 346 total cpu time spent up to now is 779.4 secs Computing kpt #: 347 total cpu time spent up to now is 781.4 secs Computing kpt #: 348 total cpu time spent up to now is 783.5 secs Computing kpt #: 349 total cpu time spent up to now is 785.6 secs Computing kpt #: 350 total cpu time spent up to now is 787.7 secs Computing kpt #: 351 total cpu time spent up to now is 789.7 secs Computing kpt #: 352 total cpu time spent up to now is 791.7 secs Computing kpt #: 353 total cpu time spent up to now is 793.7 secs Computing kpt #: 354 total cpu time spent up to now is 795.6 secs Computing kpt #: 355 total cpu time spent up to now is 797.5 secs Computing kpt #: 356 total cpu time spent up to now is 799.4 secs Computing kpt #: 357 total cpu time spent up to now is 801.4 secs Computing kpt #: 358 total cpu time spent up to now is 803.3 secs Computing kpt #: 359 total cpu time spent up to now is 805.1 secs ethr = 2.17E-11, avg # of iterations = 32.1 total cpu time spent up to now is 805.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4607 -5.4607 -4.7032 -4.7032 2.9329 2.9329 3.0082 3.0082 3.1164 3.1164 3.4900 3.4900 3.5334 3.5334 3.6287 3.6287 3.8347 3.8347 3.9241 3.9241 4.0743 4.0743 4.3376 4.3376 4.4206 4.4206 4.5444 4.5444 4.7875 4.7875 4.9145 4.9145 5.0150 5.0150 5.1527 5.1527 5.3182 5.3182 5.5143 5.5143 6.9447 6.9447 7.2596 7.2596 7.3172 7.3172 8.1631 8.1631 9.8759 9.8759 9.8836 9.8836 14.9068 14.9068 14.9900 14.9900 k = 0.0089-0.0089 0.0089 ( 5197 PWs) bands (ev): -5.4601 -5.4600 -4.7034 -4.7032 2.9197 2.9390 2.9901 3.0295 3.0995 3.1345 3.4878 3.4905 3.5298 3.5351 3.6260 3.6316 3.8297 3.8392 3.9218 3.9255 4.0665 4.0813 4.3299 4.3443 4.4173 4.4232 4.5378 4.5512 4.7772 4.7962 4.9120 4.9165 4.9958 5.0297 5.1420 5.1698 5.3146 5.3277 5.5118 5.5165 6.9347 6.9518 7.2473 7.2648 7.3056 7.3206 8.1720 8.1761 9.8731 9.8811 9.8855 9.8932 14.8629 14.8943 14.9837 15.0051 k = 0.0179-0.0179 0.0179 ( 5215 PWs) bands (ev): -5.4583 -5.4582 -4.7037 -4.7034 2.9012 2.9345 2.9792 3.0499 3.0853 3.1531 3.4836 3.4894 3.5242 3.5350 3.6233 3.6347 3.8244 3.8431 3.9187 3.9259 4.0581 4.0875 4.3211 4.3497 4.4139 4.4246 4.5316 4.5582 4.7660 4.8028 4.9089 4.9183 4.9766 5.0359 5.1393 5.1898 5.3181 5.3428 5.5089 5.5187 6.9218 6.9558 7.2269 7.2572 7.2940 7.3176 8.2020 8.2095 9.8770 9.8863 9.9012 9.9100 14.7905 14.8353 14.9781 14.9951 k = 0.0268-0.0268 0.0268 ( 5209 PWs) bands (ev): -5.4554 -5.4553 -4.7042 -4.7038 2.8787 2.9198 2.9758 3.0562 3.0865 3.1721 3.4774 3.4867 3.5172 3.5338 3.6205 3.6378 3.8190 3.8464 3.9148 3.9257 4.0492 4.0930 4.3115 4.3537 4.4112 4.4247 4.5259 4.5655 4.7546 4.8070 4.9050 4.9197 4.9609 5.0345 5.1422 5.2087 5.3314 5.3631 5.5056 5.5220 6.9051 6.9556 7.1963 7.2343 7.2897 7.3139 8.2499 8.2599 9.8876 9.8985 9.9234 9.9339 14.7014 14.7534 14.9473 14.9701 k = 0.0357-0.0357 0.0357 ( 5215 PWs) bands (ev): -5.4513 -5.4511 -4.7049 -4.7043 2.8531 2.8998 2.9744 3.0444 3.1060 3.1910 3.4690 3.4819 3.5092 3.5321 3.6170 3.6405 3.8136 3.8490 3.9101 3.9250 4.0396 4.0977 4.3012 4.3562 4.4094 4.4237 4.5207 4.5728 4.7435 4.8084 4.8996 4.9206 4.9504 5.0291 5.1461 5.2227 5.3567 5.3871 5.5020 5.5276 6.8833 6.9495 7.1567 7.2077 7.2860 7.3139 8.3122 8.3236 9.9050 9.9178 9.9519 9.9644 14.6002 14.6566 14.8908 14.9308 k = 0.0446-0.0446 0.0446 ( 5221 PWs) bands (ev): -5.4460 -5.4458 -4.7058 -4.7051 2.8255 2.8772 2.9723 3.0298 3.1282 3.2096 3.4584 3.4743 3.5013 3.5304 3.6128 3.6423 3.8083 3.8510 3.9045 3.9243 4.0293 4.1014 4.2903 4.3575 4.4078 4.4222 4.5160 4.5797 4.7331 4.8072 4.8929 4.9208 4.9454 5.0231 5.1482 5.2309 5.3917 5.4124 5.4985 5.5384 6.8548 6.9344 7.1142 7.1845 7.2809 7.3174 8.3852 8.3974 9.9291 9.9441 9.9865 10.0014 14.4898 14.5488 14.8143 14.8687 k = 0.0536-0.0536 0.0536 ( 5233 PWs) bands (ev): -5.4396 -5.4394 -4.7068 -4.7060 2.7964 2.8528 2.9686 3.0146 3.1502 3.2273 3.4457 3.4633 3.4942 3.5289 3.6076 3.6429 3.8030 3.8524 3.8981 3.9235 4.0185 4.1042 4.2792 4.3579 4.4049 4.4218 4.5121 4.5860 4.7240 4.8038 4.8860 4.9204 4.9442 5.0181 5.1482 5.2349 5.4231 5.4426 5.4972 5.5584 6.8187 6.9075 7.0755 7.1678 7.2755 7.3228 8.4663 8.4789 9.9599 9.9772 10.0271 10.0444 14.3728 14.4332 14.7210 14.7842 k = 0.0625-0.0625 0.0625 ( 5221 PWs) bands (ev): -5.4321 -5.4318 -4.7080 -4.7070 2.7662 2.8269 2.9633 2.9991 3.1714 3.2441 3.4314 3.4494 3.4883 3.5279 3.6017 3.6419 3.7977 3.8534 3.8915 3.9229 4.0075 4.1061 4.2683 4.3580 4.4000 4.4228 4.5092 4.5915 4.7165 4.7989 4.8799 4.9198 4.9448 5.0144 5.1469 5.2365 5.4371 5.4715 5.5121 5.5897 6.7752 6.8678 7.0449 7.1586 7.2702 7.3291 8.5536 8.5662 9.9970 10.0169 10.0734 10.0932 14.2514 14.3124 14.6155 14.6831 k = 0.0714-0.0714 0.0714 ( 5224 PWs) bands (ev): -5.4235 -5.4232 -4.7093 -4.7082 2.7351 2.7996 2.9561 2.9832 3.1912 3.2591 3.4156 3.4334 3.4829 3.5274 3.5951 3.6391 3.7922 3.8536 3.8855 3.9217 3.9970 4.1070 4.2578 4.3577 4.3935 4.4247 4.5072 4.5959 4.7107 4.7930 4.8747 4.9189 4.9460 5.0119 5.1451 5.2367 5.4420 5.4747 5.5577 5.6308 6.7256 6.8180 7.0225 7.1555 7.2650 7.3362 8.6455 8.6581 10.0404 10.0631 10.1249 10.1473 14.1276 14.1886 14.5020 14.5715 k = 0.0804-0.0804 0.0804 ( 5230 PWs) bands (ev): -5.4138 -5.4134 -4.7107 -4.7095 2.7034 2.7713 2.9471 2.9669 3.2092 3.2720 3.3987 3.4162 3.4777 3.5275 3.5881 3.6346 3.7863 3.8524 3.8811 3.9197 3.9879 4.1067 4.2480 4.3571 4.3865 4.4269 4.5063 4.5992 4.7064 4.7866 4.8705 4.9176 4.9472 5.0098 5.1436 5.2362 5.4420 5.4715 5.6115 5.6790 6.6719 6.7625 7.0060 7.1566 7.2601 7.3438 8.7410 8.7536 10.0897 10.1154 10.1815 10.2065 14.0030 14.0634 14.3840 14.4541 k = 0.0893-0.0893 0.0893 ( 5230 PWs) bands (ev): -5.4031 -5.4027 -4.7123 -4.7109 2.6711 2.7420 2.9362 2.9501 3.2246 3.2821 3.3812 3.3990 3.4724 3.5285 3.5810 3.6285 3.7796 3.8493 3.8792 3.9164 3.9811 4.1052 4.2390 4.3559 4.3796 4.4288 4.5065 4.6013 4.7036 4.7801 4.8673 4.9159 4.9481 5.0079 5.1429 5.2353 5.4392 5.4673 5.6665 5.7319 6.6164 6.7050 6.9932 7.1600 7.2555 7.3519 8.8394 8.8520 10.1447 10.1737 10.2428 10.2702 13.8789 13.9383 14.2643 14.3341 k = 0.0982-0.0982 0.0982 ( 5218 PWs) bands (ev): -5.3914 -5.3910 -4.7139 -4.7125 2.6384 2.7118 2.9232 2.9331 3.2363 3.2883 3.3638 3.3835 3.4671 3.5305 3.5741 3.6212 3.7720 3.8448 3.8790 3.9123 3.9772 4.1025 4.2306 4.3537 4.3737 4.4305 4.5077 4.6025 4.7019 4.7736 4.8648 4.9138 4.9487 5.0055 5.1434 5.2345 5.4349 5.4631 5.7207 5.7879 6.5607 6.6482 6.9827 7.1642 7.2519 7.3605 8.9400 8.9528 10.2052 10.2376 10.3085 10.3381 13.7565 13.8145 14.1447 14.2136 k = 0.1071-0.1071 0.1071 ( 5218 PWs) bands (ev): -5.3788 -5.3783 -4.7156 -4.7141 2.6053 2.6810 2.9078 2.9161 3.2423 3.2893 3.3479 3.3713 3.4617 3.5334 3.5676 3.6129 3.7635 3.8397 3.8786 3.9088 3.9761 4.0986 4.2228 4.3501 4.3694 4.4317 4.5098 4.6028 4.7008 4.7670 4.8628 4.9111 4.9491 5.0024 5.1450 5.2339 5.4297 5.4588 5.7726 5.8452 6.5062 6.5942 6.9735 7.1675 7.2498 7.3697 9.0424 9.0554 10.2708 10.3069 10.3781 10.4098 13.6366 13.6929 14.0266 14.0939 k = 0.1161-0.1161 0.1161 ( 5218 PWs) bands (ev): -5.3653 -5.3647 -4.7173 -4.7158 2.5719 2.6494 2.8899 2.8991 3.2405 3.2834 3.3369 3.3635 3.4562 3.5368 3.5619 3.6042 3.7541 3.8345 3.8765 3.9079 3.9773 4.0933 4.2156 4.3453 4.3664 4.4325 4.5129 4.6025 4.7000 4.7605 4.8611 4.9079 4.9493 4.9987 5.1473 5.2337 5.4243 5.4549 5.8212 5.9017 6.4542 6.5451 6.9652 7.1683 7.2502 7.3793 9.1462 9.1594 10.3411 10.3810 10.4513 10.4849 13.5201 13.5743 13.9109 13.9760 k = 0.1250-0.1250 0.1250 ( 5224 PWs) bands (ev): -5.3509 -5.3502 -4.7192 -4.7175 2.5382 2.6174 2.8703 2.8815 3.2309 3.2696 3.3330 3.3593 3.4509 3.5396 3.5576 3.5954 3.7442 3.8291 3.8728 3.9097 3.9804 4.0868 4.2091 4.3400 4.3645 4.4328 4.5167 4.6018 4.6991 4.7542 4.8595 4.9040 4.9495 4.9947 5.1499 5.2341 5.4187 5.4514 5.8649 5.9546 6.4064 6.5037 6.9573 7.1656 7.2535 7.3894 9.2510 9.2646 10.4160 10.4598 10.5278 10.5629 13.4075 13.4593 13.7983 13.8606 k = 0.1339-0.1339 0.1339 ( 5224 PWs) bands (ev): -5.3357 -5.3350 -4.7210 -4.7193 2.5044 2.5850 2.8494 2.8627 3.2155 3.2505 3.3337 3.3573 3.4459 3.5393 3.5565 3.5871 3.7342 3.8236 3.8690 3.9131 3.9849 4.0794 4.2031 4.3347 4.3632 4.4327 4.5211 4.6008 4.6982 4.7480 4.8574 4.8995 4.9499 4.9905 5.1524 5.2351 5.4134 5.4483 5.9015 6.0005 6.3646 6.4735 6.9497 7.1593 7.2596 7.4001 9.3565 9.3705 10.4950 10.5427 10.6073 10.6435 13.2995 13.3483 13.6889 13.7476 k = 0.1429-0.1429 0.1429 ( 5227 PWs) bands (ev): -5.3197 -5.3190 -4.7228 -4.7211 2.4706 2.5522 2.8276 2.8426 3.1967 3.2291 3.3353 3.3565 3.4412 3.5351 3.5578 3.5802 3.7244 3.8177 3.8660 3.9170 3.9908 4.0712 4.1978 4.3296 4.3624 4.4323 4.5261 4.5996 4.6969 4.7420 4.8547 4.8945 4.9509 4.9862 5.1545 5.2368 5.4085 5.4456 5.9281 6.0344 6.3319 6.4583 6.9425 7.1499 7.2678 7.4116 9.4622 9.4770 10.5777 10.6291 10.6894 10.7262 13.1962 13.2416 13.5826 13.6369 k = 0.1518-0.1518 0.1518 ( 5215 PWs) bands (ev): -5.3030 -5.3022 -4.7246 -4.7229 2.4368 2.5193 2.8048 2.8212 3.1762 3.2071 3.3361 3.3564 3.4370 3.5285 3.5579 3.5764 3.7153 3.8119 3.8641 3.9210 3.9978 4.0630 4.1934 4.3248 4.3621 4.4316 4.5315 4.5984 4.6954 4.7363 4.8510 4.8891 4.9527 4.9817 5.1560 5.2388 5.4040 5.4435 5.9422 6.0512 6.3124 6.4609 6.9356 7.1379 7.2770 7.4239 9.5677 9.5838 10.6637 10.7186 10.7740 10.8105 13.0978 13.1394 13.4776 13.5271 k = 0.1607-0.1607 0.1607 ( 5215 PWs) bands (ev): -5.2858 -5.2849 -4.7264 -4.7246 2.4031 2.4863 2.7811 2.7986 3.1549 3.1851 3.3355 3.3566 3.4332 3.5202 3.5547 3.5759 3.7071 3.8066 3.8627 3.9249 4.0052 4.0556 4.1896 4.3202 4.3622 4.4308 4.5372 4.5972 4.6936 4.7307 4.8459 4.8837 4.9549 4.9772 5.1569 5.2411 5.4000 5.4419 5.9427 6.0486 6.3083 6.4805 6.9292 7.1240 7.2868 7.4372 9.6726 9.6907 10.7526 10.8103 10.8607 10.8962 13.0042 13.0416 13.3702 13.4150 k = 0.1696-0.1696 0.1696 ( 5215 PWs) bands (ev): -5.2679 -5.2670 -4.7282 -4.7264 2.3696 2.4534 2.7568 2.7750 3.1335 3.1637 3.3335 3.3568 3.4296 3.5105 3.5499 3.5761 3.7003 3.8021 3.8615 3.9287 4.0116 4.0509 4.1868 4.3158 4.3628 4.4298 4.5429 4.5960 4.6916 4.7254 4.8397 4.8783 4.9574 4.9728 5.1571 5.2432 5.3966 5.4406 5.9315 6.0301 6.3175 6.5124 6.9237 7.1086 7.2965 7.4519 9.7764 9.7974 10.8437 10.9033 10.9494 10.9828 12.9144 12.9476 13.2547 13.2947 k = 0.1786-0.1786 0.1786 ( 5221 PWs) bands (ev): -5.2496 -5.2485 -4.7298 -4.7280 2.3365 2.4205 2.7318 2.7504 3.1121 3.1432 3.3304 3.3570 3.4259 3.4995 3.5449 3.5746 3.6956 3.7988 3.8601 3.9324 4.0146 4.0516 4.1849 4.3117 4.3639 4.4287 4.5487 4.5949 4.6894 4.7203 4.8325 4.8731 4.9585 4.9698 5.1567 5.2449 5.3938 5.4396 5.9117 6.0019 6.3342 6.5506 6.9197 7.0923 7.3060 7.4680 9.8786 9.9036 10.9362 10.9965 11.0396 11.0702 12.8258 12.8565 13.1296 13.1667 k = 0.1875-0.1875 0.1875 ( 5227 PWs) bands (ev): -5.2308 -5.2296 -4.7314 -4.7296 2.3038 2.3881 2.7064 2.7250 3.0912 3.1236 3.3266 3.3570 3.4215 3.4878 3.5400 3.5705 3.6934 3.7966 3.8582 3.9358 4.0137 4.0584 4.1841 4.3079 4.3653 4.4276 4.5543 4.5940 4.6871 4.7153 4.8245 4.8680 4.9557 4.9704 5.1559 5.2461 5.3914 5.4388 5.8866 5.9688 6.3534 6.5892 6.9177 7.0756 7.3153 7.4857 9.9788 10.0090 11.0291 11.0890 11.1300 11.1590 12.7339 12.7668 13.0050 13.0430 k = 0.1964-0.1964 0.1964 ( 5230 PWs) bands (ev): -5.2116 -5.2104 -4.7329 -4.7311 2.2717 2.3560 2.6805 2.6990 3.0706 3.1051 3.3220 3.3568 3.4158 3.4762 3.5354 3.5640 3.6937 3.7955 3.8559 3.9389 4.0118 4.0688 4.1846 4.3043 4.3672 4.4266 4.5596 4.5935 4.6847 4.7104 4.8162 4.8630 4.9504 4.9734 5.1548 5.2464 5.3895 5.4381 5.8587 5.9338 6.3714 6.6233 6.9186 7.0593 7.3245 7.5050 10.0766 10.1130 11.1209 11.1803 11.2178 11.2502 12.6334 12.6751 12.8956 12.9340 k = 0.2054-0.2054 0.2054 ( 5224 PWs) bands (ev): -5.1922 -5.1909 -4.7343 -4.7325 2.2404 2.3245 2.6545 2.6726 3.0505 3.0875 3.3167 3.3564 3.4081 3.4657 3.5305 3.5562 3.6963 3.7952 3.8532 3.9411 4.0112 4.0805 4.1868 4.3012 4.3694 4.4258 4.5646 4.5934 4.6824 4.7057 4.8079 4.8581 4.9440 4.9769 5.1534 5.2458 5.3880 5.4376 5.8294 5.8983 6.3862 6.6488 6.9225 7.0443 7.3342 7.5259 10.1715 10.2150 11.2096 11.2700 11.3014 11.3436 12.5247 12.5774 12.8106 12.8464 k = 0.2143-0.2143 0.2143 ( 5217 PWs) bands (ev): -5.1726 -5.1711 -4.7355 -4.7337 2.2098 2.2938 2.6284 2.6460 3.0308 3.0709 3.3106 3.3552 3.3982 3.4573 3.5246 3.5493 3.7005 3.7955 3.8504 3.9424 4.0124 4.0922 4.1908 4.2984 4.3718 4.4251 4.5691 4.5940 4.6799 4.7012 4.7997 4.8531 4.9372 4.9804 5.1518 5.2442 5.3867 5.4370 5.7999 5.8632 6.3965 6.6632 6.9282 7.0319 7.3451 7.5480 10.2630 10.3146 11.2932 11.3553 11.3821 11.4365 12.4142 12.4763 12.7506 12.7809 k = 0.2232-0.2232 0.2232 ( 5217 PWs) bands (ev): -5.1528 -5.1512 -4.7366 -4.7348 2.1802 2.2639 2.6023 2.6193 3.0113 3.0549 3.3035 3.3515 3.3878 3.4508 3.5173 3.5449 3.7059 3.7962 3.8477 3.9429 4.0156 4.1031 4.1970 4.2959 4.3743 4.4247 4.5730 4.5954 4.6773 4.6968 4.7920 4.8481 4.9301 4.9833 5.1498 5.2416 5.3855 5.4362 5.7705 5.8287 6.4016 6.6660 6.9327 7.0233 7.3578 7.5707 10.3505 10.4107 11.3697 11.4292 11.4646 11.5253 12.3107 12.3799 12.7115 12.7352 k = 0.2321-0.2321 0.2321 ( 5229 PWs) bands (ev): -5.1329 -5.1312 -4.7375 -4.7357 2.1517 2.2350 2.5764 2.5926 2.9918 3.0394 3.2953 3.3427 3.3807 3.4456 3.5100 3.5432 3.7119 3.7971 3.8454 3.9430 4.0202 4.1125 4.2055 4.2938 4.3767 4.4246 4.5760 4.5977 4.6743 4.6928 4.7847 4.8430 4.9229 4.9857 5.1475 5.2377 5.3842 5.4351 5.7416 5.7951 6.4015 6.6584 6.9329 7.0186 7.3728 7.5932 10.4333 10.5025 11.4373 11.4879 11.5480 11.6057 12.2233 12.2972 12.6895 12.7076 k = 0.2411-0.2411 0.2411 ( 5217 PWs) bands (ev): -5.1131 -5.1113 -4.7383 -4.7365 2.1244 2.2073 2.5508 2.5662 2.9721 3.0240 3.2858 3.3285 3.3782 3.4412 3.5046 3.5436 3.7183 3.7983 3.8437 3.9431 4.0258 4.1203 4.2163 4.2922 4.3792 4.4251 4.5784 4.6009 4.6708 4.6894 4.7782 4.8382 4.9157 4.9874 5.1450 5.2329 5.3827 5.4337 5.7134 5.7625 6.3967 6.6422 6.9279 7.0157 7.3899 7.6146 10.5107 10.5888 11.4936 11.5311 11.6268 11.6727 12.1612 12.2368 12.6812 12.6991 k = 0.2500-0.2500 0.2500 ( 5226 PWs) bands (ev): -5.0933 -5.0914 -4.7389 -4.7371 2.0984 2.1808 2.5255 2.5400 2.9519 3.0084 3.2750 3.3116 3.3786 3.4376 3.5019 3.5456 3.7248 3.7996 3.8426 3.9433 4.0317 4.1265 4.2287 4.2911 4.3814 4.4259 4.5802 4.6048 4.6665 4.6868 4.7721 4.8334 4.9086 4.9884 5.1419 5.2268 5.3808 5.4317 5.6857 5.7309 6.3875 6.6193 6.9189 7.0112 7.4083 7.6338 10.5820 10.6680 11.5335 11.5593 11.6956 11.7240 12.1318 12.2059 12.6854 12.7102 k = 0.2589-0.2589 0.2589 ( 5217 PWs) bands (ev): -5.0738 -5.0717 -4.7393 -4.7375 2.0739 2.1558 2.5007 2.5143 2.9308 2.9919 3.2634 3.2944 3.3806 3.4354 3.5021 3.5490 3.7313 3.8012 3.8422 3.9438 4.0377 4.1316 4.2420 4.2907 4.3835 4.4274 4.5817 4.6095 4.6618 4.6849 4.7669 4.8290 4.9017 4.9886 5.1384 5.2198 5.3785 5.4291 5.6584 5.7003 6.3747 6.5913 6.9071 7.0029 7.4262 7.6496 10.6465 10.7387 11.5485 11.5807 11.7448 11.7694 12.1353 12.2064 12.7031 12.7391 k = 0.2679-0.2679 0.2679 ( 5223 PWs) bands (ev): -5.0544 -5.0522 -4.7395 -4.7377 2.0510 2.1322 2.4765 2.4890 2.9086 2.9742 3.2515 3.2783 3.3833 3.4349 3.5048 3.5535 3.7378 3.8032 3.8425 3.9446 4.0434 4.1358 4.2551 4.2913 4.3854 4.4292 4.5829 4.6145 4.6567 4.6836 4.7622 4.8249 4.8950 4.9879 5.1343 5.2118 5.3754 5.4258 5.6313 5.6708 6.3590 6.5595 6.8932 6.9899 7.4418 7.6606 10.7038 10.7993 11.5457 11.5974 11.7750 11.8164 12.1632 12.2323 12.7350 12.7834 k = 0.2768-0.2768 0.2768 ( 5220 PWs) bands (ev): -5.0353 -5.0330 -4.7395 -4.7377 2.0296 2.1102 2.4528 2.4643 2.8849 2.9548 3.2401 3.2644 3.3867 3.4366 3.5095 3.5592 3.7442 3.8056 3.8435 3.9458 4.0488 4.1394 4.2665 4.2939 4.3872 4.4314 4.5837 4.6196 4.6520 4.6828 4.7582 4.8215 4.8885 4.9864 5.1296 5.2028 5.3714 5.4215 5.6042 5.6423 6.3412 6.5250 6.8775 6.9725 7.4531 7.6657 10.7540 10.8492 11.5393 11.6107 11.8008 11.8582 12.2055 12.2731 12.7805 12.8402 k = 0.2857-0.2857 0.2857 ( 5220 PWs) bands (ev): -5.0166 -5.0142 -4.7393 -4.7375 2.0100 2.0899 2.4298 2.4403 2.8596 2.9331 3.2299 3.2535 3.3907 3.4404 3.5159 3.5660 3.7506 3.8086 3.8451 3.9473 4.0537 4.1426 4.2745 4.2996 4.3892 4.4337 4.5841 4.6240 4.6484 4.6824 4.7547 4.8186 4.8823 4.9841 5.1240 5.1930 5.3664 5.4161 5.5768 5.6150 6.3219 6.4889 6.8599 6.9510 7.4584 7.6639 10.7982 10.8893 11.5373 11.6260 11.8263 11.8948 12.2546 12.3210 12.8377 12.9046 k = 0.2946-0.2946 0.2946 ( 5229 PWs) bands (ev): -4.9984 -4.9959 -4.7390 -4.7371 1.9922 2.0714 2.4075 2.4169 2.8324 2.9091 3.2218 3.2460 3.3953 3.4460 3.5236 3.5738 3.7569 3.8121 3.8473 3.9490 4.0582 4.1455 4.2788 4.3079 4.3916 4.4359 4.5839 4.6261 4.6474 4.6826 4.7519 4.8163 4.8763 4.9809 5.1177 5.1825 5.3600 5.4095 5.5489 5.5886 6.3017 6.4521 6.8407 6.9260 7.4565 7.6543 10.8383 10.9222 11.5430 11.6462 11.8524 11.9279 12.3066 12.3717 12.9039 12.9708 k = 0.3036-0.3036 0.3036 ( 5217 PWs) bands (ev): -4.9806 -4.9780 -4.7384 -4.7365 1.9763 2.0547 2.3861 2.3942 2.8036 2.8826 3.2161 3.2422 3.4006 3.4534 3.5326 3.5827 3.7633 3.8163 3.8500 3.9511 4.0623 4.1482 4.2812 4.3169 4.3946 4.4381 4.5832 4.6254 4.6493 4.6840 4.7497 4.8148 4.8707 4.9769 5.1106 5.1715 5.3523 5.4014 5.5207 5.5632 6.2811 6.4156 6.8199 6.8982 7.4464 7.6366 10.8770 10.9517 11.5561 11.6705 11.8800 11.9589 12.3603 12.4242 12.9750 13.0367 k = 0.3125-0.3125 0.3125 ( 5220 PWs) bands (ev): -4.9634 -4.9608 -4.7376 -4.7357 1.9623 2.0399 2.3654 2.3723 2.7732 2.8539 3.2133 3.2420 3.4065 3.4622 3.5427 3.5924 3.7697 3.8211 3.8533 3.9535 4.0661 4.1508 4.2828 4.3249 4.3983 4.4400 4.5814 4.6232 4.6520 4.6868 4.7480 4.8140 4.8653 4.9719 5.1027 5.1599 5.3428 5.3915 5.4920 5.5384 6.2606 6.3801 6.7977 6.8680 7.4278 7.6104 10.9172 10.9820 11.5751 11.6965 11.9098 11.9889 12.4156 12.4785 13.0458 13.1063 k = 0.3214-0.3214 0.3214 ( 5226 PWs) bands (ev): -4.9468 -4.9441 -4.7367 -4.7347 1.9502 2.0270 2.3455 2.3512 2.7413 2.8232 3.2135 3.2454 3.4132 3.4721 3.5536 3.6031 3.7761 3.8265 3.8571 3.9562 4.0695 4.1533 4.2841 4.3316 4.4024 4.4417 4.5785 4.6213 4.6538 4.6911 4.7470 4.8138 4.8604 4.9662 5.0939 5.1479 5.3315 5.3795 5.4632 5.5139 6.2406 6.3466 6.7741 6.8360 7.4007 7.5760 10.9611 11.0163 11.5979 11.7216 11.9420 12.0188 12.4734 12.5355 13.1133 13.1825 k = 0.3304-0.3304 0.3304 ( 5238 PWs) bands (ev): -4.9309 -4.9282 -4.7355 -4.7336 1.9402 2.0161 2.3264 2.3310 2.7082 2.7909 3.2165 3.2520 3.4207 3.4831 3.5652 3.6144 3.7825 3.8324 3.8616 3.9592 4.0728 4.1556 4.2852 4.3368 4.4067 4.4431 4.5742 4.6201 4.6543 4.6963 4.7464 4.8140 4.8561 4.9598 5.0844 5.1357 5.3181 5.3651 5.4347 5.4895 6.2211 6.3159 6.7494 6.8027 7.3655 7.5340 11.0106 11.0569 11.6226 11.7443 11.9758 12.0490 12.5344 12.5959 13.1785 13.2627 k = 0.3393-0.3393 0.3393 ( 5232 PWs) bands (ev): -4.9156 -4.9129 -4.7343 -4.7324 1.9321 2.0071 2.3082 2.3117 2.6742 2.7575 3.2223 3.2618 3.4289 3.4950 3.5776 3.6265 3.7891 3.8387 3.8668 3.9629 4.0760 4.1581 4.2862 4.3412 4.4109 4.4445 4.5689 4.6198 4.6540 4.7013 4.7467 4.8145 4.8528 4.9527 5.0741 5.1233 5.3026 5.3479 5.4072 5.4648 6.2027 6.2888 6.7239 6.7686 7.3230 7.4853 11.0666 11.1048 11.6479 11.7642 12.0100 12.0794 12.5990 12.6608 13.2434 13.3429 k = 0.3482-0.3482 0.3482 ( 5226 PWs) bands (ev): -4.9011 -4.8984 -4.7328 -4.7310 1.9261 2.0002 2.2907 2.2935 2.6396 2.7231 3.2306 3.2744 3.4378 3.5076 3.5904 3.6391 3.7959 3.8454 3.8728 3.9671 4.0792 4.1607 4.2867 4.3449 4.4144 4.4459 4.5627 4.6200 4.6533 4.7052 4.7475 4.8147 4.8508 4.9452 5.0632 5.1108 5.2850 5.3272 5.3814 5.4398 6.1853 6.2658 6.6977 6.7340 7.2742 7.4306 11.1294 11.1606 11.6729 11.7817 12.0435 12.1098 12.6670 12.7307 13.3084 13.4205 k = 0.3571-0.3571 0.3571 ( 5211 PWs) bands (ev): -4.8874 -4.8847 -4.7313 -4.7295 1.9221 1.9952 2.2738 2.2767 2.6045 2.6883 3.2413 3.2895 3.4474 3.5209 3.6036 3.6519 3.8028 3.8524 3.8798 3.9722 4.0825 4.1635 4.2869 4.3483 4.4172 4.4472 4.5558 4.6204 4.6524 4.7073 4.7488 4.8140 4.8506 4.9375 5.0516 5.0983 5.2652 5.3030 5.3577 5.4142 6.1695 6.2475 6.6711 6.6996 7.2202 7.3713 11.1986 11.2238 11.6972 11.7976 12.0756 12.1398 12.7380 12.8060 13.3738 13.4943 k = 0.3661-0.3661 0.3661 ( 5217 PWs) bands (ev): -4.8744 -4.8718 -4.7296 -4.7279 1.9201 1.9921 2.2573 2.2613 2.5692 2.6532 3.2541 3.3067 3.4576 3.5345 3.6170 3.6648 3.8100 3.8595 3.8877 3.9780 4.0858 4.1664 4.2864 4.3517 4.4189 4.4485 4.5484 4.6203 4.6514 4.7074 4.7501 4.8118 4.8521 4.9298 5.0390 5.0859 5.2432 5.2758 5.3357 5.3880 6.1557 6.2335 6.6440 6.6657 7.1621 7.3084 11.2731 11.2939 11.7208 11.8123 12.1060 12.1689 12.8115 12.8863 13.4392 13.5645 k = 0.3750-0.3750 0.3750 ( 5217 PWs) bands (ev): -4.8622 -4.8598 -4.7279 -4.7263 1.9200 1.9910 2.2415 2.2471 2.5340 2.6181 3.2688 3.3257 3.4685 3.5485 3.6304 3.6775 3.8176 3.8668 3.8967 3.9848 4.0893 4.1698 4.2853 4.3553 4.4197 4.4498 4.5407 4.6198 4.6503 4.7056 4.7512 4.8081 4.8550 4.9225 5.0254 5.0738 5.2194 5.2469 5.3149 5.3615 6.1445 6.2238 6.6166 6.6330 7.1011 7.2430 11.3514 11.3698 11.7439 11.8267 12.1345 12.1968 12.8870 12.9712 13.5043 13.6314 k = 0.3839-0.3839 0.3839 ( 5226 PWs) bands (ev): -4.8508 -4.8485 -4.7261 -4.7246 1.9219 1.9917 2.2266 2.2341 2.4988 2.5832 3.2850 3.3460 3.4802 3.5625 3.6436 3.6896 3.8255 3.8742 3.9068 3.9927 4.0931 4.1735 4.2836 4.3590 4.4196 4.4510 4.5329 4.6185 4.6488 4.7020 4.7518 4.8032 4.8582 4.9160 5.0107 5.0621 5.1939 5.2171 5.2946 5.3352 6.1364 6.2180 6.5884 6.6025 7.0382 7.1762 11.4317 11.4500 11.7670 11.8415 12.1614 12.2232 12.9641 13.0599 13.5689 13.6956 k = 0.3929-0.3929 0.3929 ( 5226 PWs) bands (ev): -4.8403 -4.8382 -4.7243 -4.7230 1.9258 1.9942 2.2125 2.2222 2.4639 2.5486 3.3024 3.3671 3.4927 3.5766 3.6564 3.7010 3.8341 3.8819 3.9181 4.0017 4.0972 4.1777 4.2812 4.3630 4.4188 4.4520 4.5253 4.6164 4.6468 4.6969 4.7518 4.7974 4.8607 4.9105 4.9949 5.0507 5.1672 5.1874 5.2744 5.3101 6.1318 6.2158 6.5597 6.5746 6.9746 7.1090 11.5117 11.5319 11.7914 11.8578 12.1867 12.2480 13.0424 13.1513 13.6325 13.7573 k = 0.4018-0.4018 0.4018 ( 5223 PWs) bands (ev): -4.8306 -4.8287 -4.7226 -4.7214 1.9315 1.9984 2.1994 2.2115 2.4295 2.5146 3.3208 3.3883 3.5063 3.5905 3.6687 3.7113 3.8434 3.8897 3.9307 4.0120 4.1016 4.1824 4.2784 4.3669 4.4175 4.4526 4.5183 4.6132 4.6443 4.6904 4.7511 4.7908 4.8617 4.9059 4.9782 5.0393 5.1401 5.1584 5.2537 5.2871 6.1308 6.2167 6.5311 6.5493 6.9111 7.0423 11.5887 11.6115 11.8193 11.8777 12.2104 12.2712 13.1216 13.2446 13.6947 13.8169 k = 0.4107-0.4107 0.4107 ( 5238 PWs) bands (ev): -4.8218 -4.8200 -4.7208 -4.7198 1.9391 2.0043 2.1871 2.2021 2.3956 2.4813 3.3398 3.4087 3.5211 3.6039 3.6801 3.7202 3.8532 3.8975 3.9447 4.0232 4.1064 4.1875 4.2751 4.3705 4.4158 4.4524 4.5123 4.6087 4.6413 4.6827 4.7494 4.7836 4.8606 4.9012 4.9615 5.0273 5.1133 5.1307 5.2327 5.2671 6.1335 6.2207 6.5036 6.5259 6.8483 6.9767 11.6578 11.6826 11.8550 11.9047 12.2326 12.2930 13.2015 13.3390 13.7550 13.8744 k = 0.4196-0.4196 0.4196 ( 5238 PWs) bands (ev): -4.8137 -4.8122 -4.7192 -4.7183 1.9484 2.0116 2.1758 2.1940 2.3624 2.4487 3.3590 3.4275 3.5374 3.6169 3.6905 3.7277 3.8638 3.9054 3.9600 4.0356 4.1116 4.1928 4.2717 4.3733 4.4143 4.4510 4.5083 4.6029 4.6377 4.6745 4.7464 4.7758 4.8574 4.8946 4.9468 5.0143 5.0879 5.1051 5.2125 5.2500 6.1399 6.2273 6.4778 6.5046 6.7870 6.9130 11.7133 11.7386 11.9023 11.9442 12.2535 12.3134 13.2818 13.4338 13.8127 13.9300 k = 0.4286-0.4286 0.4286 ( 5238 PWs) bands (ev): -4.8065 -4.8052 -4.7177 -4.7169 1.9595 2.0204 2.1653 2.1873 2.3299 2.4171 3.3780 3.4441 3.5552 3.6292 3.6997 3.7337 3.8750 3.9131 3.9767 4.0489 4.1173 4.1979 4.2683 4.3747 4.4132 4.4482 4.5069 4.5958 4.6332 4.6666 4.7415 4.7674 4.8522 4.8834 4.9366 4.9998 5.0650 5.0818 5.1945 5.2353 6.1498 6.2365 6.4540 6.4854 6.7277 6.8516 11.7523 11.7772 11.9599 11.9987 12.2731 12.3327 13.3625 13.5284 13.8668 13.9833 k = 0.4375-0.4375 0.4375 ( 5226 PWs) bands (ev): -4.8002 -4.7990 -4.7163 -4.7156 1.9723 2.0304 2.1558 2.1822 2.2983 2.3865 3.3965 3.4581 3.5743 3.6406 3.7076 3.7382 3.8866 3.9205 3.9946 4.0631 4.1235 4.2023 4.2654 4.3740 4.4131 4.4439 4.5086 4.5879 4.6273 4.6599 4.7341 4.7588 4.8449 4.8671 4.9318 4.9846 5.0448 5.0609 5.1800 5.2226 6.1632 6.2480 6.4326 6.4687 6.6707 6.7931 11.7785 11.8020 12.0220 12.0628 12.2919 12.3509 13.4435 13.6226 13.9165 14.0341 k = 0.4464-0.4464 0.4464 ( 5226 PWs) bands (ev): -4.7947 -4.7937 -4.7150 -4.7145 1.9867 2.0412 2.1470 2.1789 2.2675 2.3571 3.4140 3.4692 3.5938 3.6511 3.7140 3.7413 3.8982 3.9272 4.0135 4.0775 4.1300 4.2048 4.2636 4.3711 4.4138 4.4389 4.5132 4.5796 4.6196 4.6549 4.7240 4.7498 4.8347 4.8485 4.9308 4.9705 5.0272 5.0421 5.1694 5.2113 6.1799 6.2612 6.4134 6.4550 6.6163 6.7377 11.7968 11.8179 12.0832 12.1271 12.3106 12.3685 13.5247 13.7159 13.9601 14.0820 k = 0.4554-0.4554 0.4554 ( 5238 PWs) bands (ev): -4.7900 -4.7892 -4.7140 -4.7135 2.0027 2.0527 2.1389 2.1775 2.2376 2.3289 3.4302 3.4776 3.6130 3.6604 3.7190 3.7429 3.9092 3.9332 4.0332 4.0920 4.1366 4.2043 4.2638 4.3660 4.4146 4.4341 4.5200 4.5718 4.6109 4.6514 4.7116 4.7401 4.8201 4.8322 4.9322 4.9593 5.0117 5.0253 5.1627 5.2013 6.1997 6.2759 6.3966 6.4447 6.5647 6.6858 11.8104 11.8284 12.1391 12.1842 12.3304 12.3855 13.6057 13.8081 13.9960 14.1262 k = 0.4643-0.4643 0.4643 ( 5238 PWs) bands (ev): -4.7861 -4.7855 -4.7131 -4.7128 2.0202 2.0643 2.1314 2.1787 2.2088 2.3023 3.4448 3.4834 3.6310 3.6683 3.7229 3.7432 3.9194 3.9382 4.0537 4.1058 4.1427 4.1996 4.2672 4.3592 4.4152 4.4300 4.5281 4.5652 4.6028 4.6489 4.6985 4.7281 4.8037 4.8195 4.9353 4.9518 4.9978 5.0104 5.1593 5.1925 6.2227 6.2912 6.3820 6.4385 6.5165 6.6376 11.8208 11.8354 12.1867 12.2288 12.3531 12.4017 13.6860 13.8985 14.0218 14.1662 k = 0.4732-0.4732 0.4732 ( 5235 PWs) bands (ev): -4.7831 -4.7826 -4.7124 -4.7121 2.0391 2.0757 2.1244 2.1805 2.1832 2.2773 3.4576 3.4868 3.6470 3.6744 3.7260 3.7423 3.9281 3.9419 4.0749 4.1185 4.1473 4.1903 4.2744 4.3507 4.4155 4.4269 4.5356 4.5603 4.5981 4.6468 4.6860 4.7127 4.7911 4.8084 4.9394 4.9482 4.9858 4.9974 5.1585 5.1846 6.2486 6.3061 6.3696 6.4355 6.4739 6.5933 11.8288 11.8399 12.2242 12.2581 12.3785 12.4165 13.7644 13.9845 14.0366 14.2011 k = 0.4821-0.4821 0.4821 ( 5232 PWs) bands (ev): -4.7809 -4.7806 -4.7119 -4.7117 2.0595 2.0861 2.1177 2.1542 2.1902 2.2544 3.4682 3.4878 3.6602 3.6782 3.7287 3.7403 3.9351 3.9441 4.0965 4.1295 4.1496 4.1766 4.2852 4.3400 4.4160 4.4243 4.5405 4.5564 4.6007 4.6443 4.6754 4.6952 4.7843 4.7987 4.9438 4.9480 4.9759 4.9862 5.1598 5.1777 6.2774 6.3197 6.3588 6.4176 6.4561 6.5535 11.8349 11.8423 12.2513 12.2742 12.4029 12.4280 13.8389 14.0227 14.0793 14.2295 k = 0.4911-0.4911 0.4911 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0812 2.0955 2.1109 2.1287 2.2013 2.2337 3.4766 3.4864 3.6702 3.6791 3.7314 3.7376 3.9402 3.9446 4.1183 4.1385 4.1487 4.1595 4.2986 4.3274 4.4172 4.4217 4.5438 4.5519 4.6114 4.6382 4.6692 4.6798 4.7828 4.7908 4.9473 4.9501 4.9698 4.9769 5.1626 5.1717 6.3086 6.3313 6.3492 6.3813 6.4675 6.5186 11.8392 11.8429 12.2690 12.2803 12.4217 12.4339 13.9062 14.0027 14.1552 14.2442 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.4846 0.5000 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0807 2.0956 2.1109 2.1289 2.2012 2.2338 3.4741 3.4892 3.6675 3.6826 3.7314 3.7371 3.9404 3.9442 4.1196 4.1346 4.1531 4.1578 4.2984 4.3281 4.4155 4.4232 4.5431 4.5523 4.6136 4.6366 4.6650 4.6830 4.7826 4.7900 4.9459 4.9524 4.9679 4.9775 5.1635 5.1719 6.3055 6.3260 6.3584 6.3796 6.4686 6.5184 11.8379 11.8411 12.2660 12.2848 12.4184 12.4390 13.9118 13.9971 14.1618 14.2442 k = 0.5000-0.4692 0.5000 ( 5232 PWs) bands (ev): -4.7809 -4.7806 -4.7119 -4.7117 2.0593 2.0856 2.1168 2.1552 2.1902 2.2548 3.4638 3.4936 3.6563 3.6850 3.7280 3.7390 3.9358 3.9428 4.0989 4.1222 4.1588 4.1727 4.2856 4.3411 4.4129 4.4267 4.5402 4.5570 4.6039 4.6401 4.6677 4.7019 4.7827 4.7967 4.9407 4.9530 4.9711 4.9873 5.1626 5.1792 6.2733 6.3060 6.3757 6.4160 6.4584 6.5533 11.8292 11.8355 12.2475 12.2841 12.3989 12.4390 13.8455 14.0152 14.0882 14.2412 k = 0.5000-0.4538 0.5000 ( 5240 PWs) bands (ev): -4.7830 -4.7826 -4.7124 -4.7122 2.0395 2.0743 2.1219 2.1766 2.1891 2.2783 3.4518 3.4957 3.6433 3.6833 3.7245 3.7402 3.9295 3.9385 4.0785 4.1088 4.1609 4.1845 4.2756 4.3504 4.4122 4.4298 4.5389 4.5605 4.5990 4.6393 4.6739 4.7262 4.7858 4.8054 4.9356 4.9534 4.9786 4.9991 5.1640 5.1885 6.2435 6.2845 6.3939 6.4402 6.4712 6.5929 11.8152 11.8246 12.2223 12.2742 12.3767 12.4328 13.7656 13.9785 14.0452 14.2353 k = 0.5000-0.4385 0.5000 ( 5248 PWs) bands (ev): -4.7860 -4.7853 -4.7131 -4.7128 2.0213 2.0621 2.1264 2.1740 2.2163 2.3042 3.4383 3.4954 3.6289 3.6775 3.7204 3.7407 3.9212 3.9313 4.0596 4.0950 4.1598 4.1931 4.2685 4.3554 4.4123 4.4335 4.5394 4.5619 4.5992 4.6390 4.6790 4.7530 4.7917 4.8168 4.9313 4.9547 4.9894 5.0129 5.1676 5.1997 6.2164 6.2628 6.4140 6.4482 6.5099 6.6358 11.7952 11.8075 12.1900 12.2512 12.3565 12.4219 13.6753 13.8829 14.0436 14.2348 k = 0.5000-0.4231 0.5000 ( 5236 PWs) bands (ev): -4.7896 -4.7889 -4.7139 -4.7136 2.0046 2.0494 2.1306 2.1707 2.2484 2.3321 3.4237 3.4925 3.6134 3.6686 3.7153 3.7404 3.9109 3.9213 4.0433 4.0816 4.1558 4.1990 4.2633 4.3574 4.4117 4.4388 4.5416 4.5621 4.6028 4.6412 4.6822 4.7788 4.7997 4.8324 4.9285 4.9571 5.0039 5.0291 5.1735 5.2133 6.1924 6.2421 6.4362 6.4591 6.5542 6.6815 11.7683 11.7830 12.1502 12.2135 12.3413 12.4080 13.5780 13.7760 14.0407 14.2399 k = 0.5000-0.4077 0.5000 ( 5228 PWs) bands (ev): -4.7940 -4.7932 -4.7149 -4.7145 1.9895 2.0365 2.1347 2.1686 2.2824 2.3619 3.4080 3.4871 3.5971 3.6573 3.7085 3.7388 3.8982 3.9092 4.0297 4.0693 4.1494 4.2023 4.2592 4.3580 4.4104 4.4451 4.5453 4.5618 4.6068 4.6464 4.6840 4.7987 4.8101 4.8524 4.9276 4.9602 5.0220 5.0485 5.1817 5.2297 6.1716 6.2235 6.4602 6.4755 6.6009 6.7293 11.7330 11.7497 12.1030 12.1638 12.3301 12.3928 13.4770 13.6639 14.0346 14.2492 k = 0.5000-0.3923 0.5000 ( 5224 PWs) bands (ev): -4.7991 -4.7981 -4.7161 -4.7156 1.9756 2.0239 2.1387 2.1677 2.3181 2.3933 3.3914 3.4790 3.5801 3.6441 3.6998 3.7350 3.8840 3.8958 4.0188 4.0584 4.1411 4.2031 4.2557 4.3584 4.4090 4.4513 4.5503 4.5614 4.6100 4.6539 4.6849 4.8092 4.8249 4.8737 4.9295 4.9638 5.0427 5.0725 5.1925 5.2498 6.1543 6.2076 6.4848 6.4983 6.6492 6.7787 11.6879 11.7058 12.0490 12.1057 12.3211 12.3776 13.3745 13.5489 14.0269 14.2594 k = 0.5000-0.3769 0.5000 ( 5224 PWs) bands (ev): -4.8048 -4.8037 -4.7174 -4.7169 1.9630 2.0117 2.1427 2.1678 2.3554 2.4261 3.3743 3.4685 3.5627 3.6296 3.6893 3.7285 3.8697 3.8818 4.0099 4.0491 4.1309 4.2014 4.2533 4.3595 4.4083 4.4569 4.5548 4.5625 4.6123 4.6624 4.6855 4.8154 4.8396 4.8923 4.9351 4.9677 5.0638 5.1016 5.2071 5.2749 6.1408 6.1952 6.5103 6.5271 6.6989 6.8294 11.6317 11.6500 11.9890 12.0419 12.3137 12.3635 13.2729 13.4328 14.0188 14.2551 k = 0.5000-0.3615 0.5000 ( 5224 PWs) bands (ev): -4.8110 -4.8098 -4.7189 -4.7183 1.9516 2.0000 2.1468 2.1685 2.3941 2.4601 3.3568 3.4557 3.5448 3.6140 3.6769 3.7187 3.8568 3.8678 4.0024 4.0414 4.1189 4.1971 4.2525 4.3615 4.4087 4.4616 4.5555 4.5680 4.6140 4.6705 4.6868 4.8198 4.8521 4.9058 4.9450 4.9716 5.0834 5.1324 5.2289 5.3064 6.1313 6.1866 6.5378 6.5599 6.7497 6.8810 11.5634 11.5814 11.9235 11.9738 12.3076 12.3513 13.1739 13.3177 14.0112 14.2310 k = 0.5000-0.3462 0.5000 ( 5208 PWs) bands (ev): -4.8178 -4.8165 -4.7205 -4.7198 1.9414 1.9889 2.1509 2.1699 2.4340 2.4952 3.3391 3.4411 3.5268 3.5976 3.6629 3.7054 3.8463 3.8545 3.9958 4.0352 4.1056 4.1908 4.2534 4.3645 4.4103 4.4656 4.5542 4.5758 4.6154 4.6768 4.6897 4.8230 4.8623 4.9152 4.9577 4.9755 5.1010 5.1577 5.2631 5.3455 6.1260 6.1823 6.5680 6.5955 6.8014 6.9332 11.4831 11.5004 11.8521 11.9019 12.3033 12.3415 13.0791 13.2053 14.0048 14.2047 k = 0.5000-0.3308 0.5000 ( 5200 PWs) bands (ev): -4.8249 -4.8236 -4.7221 -4.7214 1.9321 1.9784 2.1550 2.1717 2.4750 2.5311 3.3214 3.4249 3.5086 3.5806 3.6473 3.6888 3.8372 3.8432 3.9893 4.0304 4.0913 4.1829 4.2555 4.3682 4.4131 4.4687 4.5521 4.5839 4.6165 4.6803 4.6950 4.8250 4.8705 4.9225 4.9705 4.9794 5.1162 5.1741 5.3109 5.3923 6.1251 6.1824 6.6005 6.6336 6.8538 6.9858 11.3914 11.4084 11.7743 11.8258 12.3009 12.3343 12.9900 13.0977 13.9999 14.1797 k = 0.5000-0.3154 0.5000 ( 5196 PWs) bands (ev): -4.8325 -4.8311 -4.7239 -4.7232 1.9237 1.9685 2.1591 2.1739 2.5167 2.5676 3.3039 3.4076 3.4903 3.5631 3.6305 3.6699 3.8274 3.8362 3.9826 4.0266 4.0769 4.1743 4.2585 4.3722 4.4174 4.4713 4.5498 4.5915 4.6179 4.6823 4.7014 4.8262 4.8769 4.9285 4.9797 4.9858 5.1293 5.1839 5.3684 5.4463 6.1285 6.1871 6.6352 6.6736 6.9066 7.0385 11.2898 11.3070 11.6892 11.7444 12.3008 12.3299 12.9076 12.9966 13.9966 14.1571 k = 0.5000-0.3000 0.5000 ( 5228 PWs) bands (ev): -4.8403 -4.8388 -4.7257 -4.7250 1.9161 1.9591 2.1632 2.1763 2.5588 2.6044 3.2867 3.3895 3.4720 3.5452 3.6127 3.6493 3.8172 3.8321 3.9756 4.0232 4.0631 4.1652 4.2617 4.3760 4.4229 4.4733 4.5473 4.5974 4.6199 4.6836 4.7079 4.8265 4.8817 4.9333 4.9835 4.9963 5.1403 5.1898 5.4321 5.5067 6.1364 6.1965 6.6715 6.7151 6.9595 7.0908 11.1802 11.1983 11.5963 11.6566 12.3029 12.3283 12.8325 12.9035 13.9950 14.1373 k = 0.5000-0.2846 0.5000 ( 5220 PWs) bands (ev): -4.8483 -4.8468 -4.7276 -4.7268 1.9093 1.9504 2.1674 2.1791 2.6012 2.6414 3.2702 3.3711 3.4539 3.5271 3.5944 3.6282 3.8080 3.8296 3.9683 4.0198 4.0513 4.1564 4.2652 4.3798 4.4299 4.4751 4.5452 4.6010 4.6234 4.6849 4.7144 4.8264 4.8854 4.9368 4.9864 5.0068 5.1500 5.1935 5.5000 5.5725 6.1487 6.2108 6.7093 6.7580 7.0125 7.1426 11.0645 11.0838 11.4959 11.5616 12.3074 12.3295 12.7649 12.8195 13.9949 14.1205 k = 0.5000-0.2692 0.5000 ( 5220 PWs) bands (ev): -4.8564 -4.8549 -4.7295 -4.7287 1.9032 1.9423 2.1715 2.1820 2.6433 2.6782 3.2543 3.3526 3.4363 3.5090 3.5760 3.6069 3.7995 3.8276 3.9607 4.0153 4.0428 4.1477 4.2684 4.3833 4.4376 4.4767 4.5435 4.6023 4.6281 4.6861 4.7207 4.8259 4.8879 4.9384 4.9892 5.0165 5.1583 5.1959 5.5708 5.6425 6.1655 6.2298 6.7480 6.8018 7.0651 7.1936 10.9446 10.9652 11.3887 11.4591 12.3143 12.3333 12.7047 12.7452 13.9962 14.1066 k = 0.5000-0.2538 0.5000 ( 5224 PWs) bands (ev): -4.8646 -4.8631 -4.7315 -4.7307 1.8978 1.9347 2.1755 2.1850 2.6848 2.7146 3.2392 3.3343 3.4192 3.4910 3.5578 3.5859 3.7918 3.8256 3.9532 4.0095 4.0380 4.1395 4.2713 4.3865 4.4452 4.4784 4.5427 4.6019 4.6332 4.6871 4.7268 4.8248 4.8891 4.9379 4.9922 5.0253 5.1658 5.1975 5.6434 5.7157 6.1863 6.2537 6.7872 6.8460 7.1171 7.2434 10.8219 10.8439 11.2755 11.3499 12.3233 12.3396 12.6512 12.6808 13.9987 14.0953 k = 0.5000-0.2385 0.5000 ( 5224 PWs) bands (ev): -4.8727 -4.8713 -4.7334 -4.7326 1.8930 1.9276 2.1795 2.1880 2.7251 2.7503 3.2250 3.3164 3.4029 3.4731 3.5401 3.5657 3.7846 3.8231 3.9460 4.0034 4.0359 4.1317 4.2739 4.3895 4.4519 4.4808 4.5431 4.6007 4.6380 4.6879 4.7327 4.8233 4.8893 4.9353 4.9957 5.0333 5.1725 5.1989 5.7174 5.7914 6.2112 6.2821 6.8265 6.8904 7.1682 7.2918 10.6980 10.7212 11.1577 11.2348 12.3343 12.3483 12.6035 12.6263 14.0022 14.0866 k = 0.5000-0.2231 0.5000 ( 5224 PWs) bands (ev): -4.8808 -4.8794 -4.7353 -4.7345 1.8887 1.9210 2.1833 2.1911 2.7637 2.7852 3.2119 3.2991 3.3876 3.4556 3.5231 3.5465 3.7779 3.8197 3.9398 3.9982 4.0354 4.1245 4.2761 4.3922 4.4563 4.4848 4.5449 4.5990 4.6421 4.6884 4.7381 4.8212 4.8884 4.9309 4.9996 5.0404 5.1785 5.2004 5.7921 5.8685 6.2399 6.3149 6.8657 6.9345 7.2182 7.3383 10.5741 10.5983 11.0367 11.1153 12.3470 12.3590 12.5611 12.5814 14.0065 14.0801 k = 0.5000-0.2077 0.5000 ( 5224 PWs) bands (ev): -4.8887 -4.8873 -4.7372 -4.7364 1.8849 1.9149 2.1870 2.1941 2.7999 2.8192 3.1999 3.2825 3.3734 3.4386 3.5070 3.5285 3.7716 3.8151 3.9351 3.9942 4.0357 4.1180 4.2779 4.3945 4.4581 4.4906 4.5482 4.5970 4.6455 4.6886 4.7430 4.8186 4.8864 4.9254 5.0037 5.0467 5.1841 5.2024 5.8668 5.9464 6.2721 6.3519 6.9043 6.9779 7.2666 7.3827 10.4513 10.4763 10.9140 10.9929 12.3608 12.3714 12.5241 12.5448 14.0114 14.0754 k = 0.5000-0.1923 0.5000 ( 5232 PWs) bands (ev): -4.8963 -4.8950 -4.7390 -4.7382 1.8816 1.9093 2.1905 2.1971 2.8333 2.8520 3.1892 3.2667 3.3606 3.4223 3.4920 3.5117 3.7655 3.8093 3.9323 3.9913 4.0366 4.1120 4.2796 4.3962 4.4580 4.4974 4.5531 4.5949 4.6480 4.6883 4.7467 4.8155 4.8829 4.9195 5.0079 5.0522 5.1891 5.2048 5.9409 6.0241 6.3075 6.3925 6.9420 7.0203 7.3132 7.4247 10.3309 10.3563 10.7909 10.8691 12.3748 12.3851 12.4933 12.5153 14.0167 14.0725 k = 0.5000-0.1769 0.5000 ( 5220 PWs) bands (ev): -4.9036 -4.9023 -4.7407 -4.7400 1.8788 1.9041 2.1938 2.1999 2.8636 2.8830 3.1797 3.2519 3.3492 3.4069 3.4783 3.4965 3.7599 3.8027 3.9315 3.9895 4.0378 4.1069 4.2811 4.3970 4.4573 4.5043 4.5594 4.5931 4.6498 4.6879 4.7488 4.8126 4.8778 4.9142 5.0124 5.0569 5.1940 5.2077 6.0139 6.1008 6.3459 6.4363 6.9788 7.0612 7.3578 7.4639 10.2137 10.2393 10.6689 10.7455 12.3868 12.3990 12.4702 12.4929 14.0223 14.0708 k = 0.5000-0.1615 0.5000 ( 5208 PWs) bands (ev): -4.9105 -4.9093 -4.7424 -4.7417 1.8763 1.8993 2.1970 2.2026 2.8907 2.9118 3.1716 3.2380 3.3394 3.3925 3.4659 3.4827 3.7547 3.7954 3.9324 3.9885 4.0393 4.1026 4.2827 4.3965 4.4571 4.5108 4.5667 4.5915 4.6507 4.6872 4.7486 4.8102 4.8710 4.9100 5.0170 5.0608 5.1985 5.2109 6.0851 6.1754 6.3870 6.4826 7.0142 7.1002 7.3999 7.5000 10.1010 10.1263 10.5494 10.6235 12.3931 12.4102 12.4579 12.4794 14.0281 14.0702 k = 0.5000-0.1462 0.5000 ( 5216 PWs) bands (ev): -4.9170 -4.9159 -4.7439 -4.7433 1.8742 1.8949 2.1999 2.2050 2.9148 2.9374 3.1649 3.2251 3.3312 3.3792 3.4548 3.4703 3.7498 3.7878 3.9348 3.9879 4.0409 4.0988 4.2843 4.3944 4.4578 4.5166 4.5742 4.5907 4.6507 4.6863 4.7455 4.8082 4.8633 4.9069 5.0215 5.0638 5.2028 5.2141 6.1539 6.2468 6.4302 6.5302 7.0483 7.1369 7.4394 7.5328 9.9937 10.0183 10.4339 10.5046 12.3907 12.4126 12.4606 12.4778 14.0338 14.0703 k = 0.5000-0.1308 0.5000 ( 5216 PWs) bands (ev): -4.9230 -4.9220 -4.7454 -4.7448 1.8724 1.8908 2.2025 2.2073 2.9359 2.9596 3.1595 3.2133 3.3247 3.3673 3.4450 3.4595 3.7456 3.7803 3.9384 3.9877 4.0426 4.0958 4.2862 4.3906 4.4600 4.5216 4.5804 4.5919 4.6499 4.6852 4.7399 4.8060 4.8562 4.9045 5.0261 5.0661 5.2070 5.2173 6.2197 6.3137 6.4754 6.5781 7.0810 7.1710 7.4759 7.5620 9.8929 9.9165 10.3236 10.3904 12.3830 12.4065 12.4742 12.4868 14.0394 14.0710 k = 0.5000-0.1154 0.5000 ( 5224 PWs) bands (ev): -4.9285 -4.9276 -4.7467 -4.7462 1.8710 1.8872 2.2050 2.2092 2.9542 2.9781 3.1555 3.2026 3.3196 3.3567 3.4367 3.4502 3.7419 3.7730 3.9428 3.9876 4.0446 4.0933 4.2885 4.3853 4.4636 4.5258 4.5831 4.5970 4.6481 4.6841 4.7327 4.8018 4.8517 4.9025 5.0307 5.0678 5.2110 5.2204 6.2821 6.3749 6.5218 6.6247 7.1124 7.2019 7.5093 7.5874 9.7998 9.8218 10.2202 10.2822 12.3746 12.3976 12.4916 12.5011 14.0448 14.0720 k = 0.5000-0.1000 0.5000 ( 5232 PWs) bands (ev): -4.9334 -4.9325 -4.7479 -4.7474 1.8699 1.8838 2.2072 2.2109 2.9697 2.9927 3.1526 3.1930 3.3160 3.3475 3.4298 3.4423 3.7388 3.7663 3.9478 3.9875 4.0468 4.0911 4.2913 4.3789 4.4684 4.5289 4.5841 4.6043 4.6453 4.6830 4.7250 4.7946 4.8506 4.9004 5.0353 5.0687 5.2148 5.2232 6.3404 6.4291 6.5686 6.6685 7.1424 7.2292 7.5393 7.6088 9.7154 9.7355 10.1251 10.1816 12.3674 12.3889 12.5098 12.5173 14.0498 14.0731 k = 0.5000-0.0846 0.5000 ( 5224 PWs) bands (ev): -4.9376 -4.9369 -4.7489 -4.7485 1.8691 1.8809 2.2091 2.2124 2.9826 3.0039 3.1509 3.1846 3.3137 3.3397 3.4244 3.4357 3.7367 3.7602 3.9531 3.9872 4.0495 4.0891 4.2949 4.3717 4.4744 4.5309 4.5851 4.6116 4.6420 4.6815 4.7182 4.7850 4.8526 4.8982 5.0399 5.0691 5.2184 5.2257 6.3941 6.4756 6.6145 6.7076 7.1712 7.2525 7.5660 7.6262 9.6408 9.6586 10.0401 10.0902 12.3620 12.3812 12.5273 12.5334 14.0545 14.0741 k = 0.5000-0.0692 0.5000 ( 5232 PWs) bands (ev): -4.9412 -4.9406 -4.7497 -4.7494 1.8687 1.8782 2.2108 2.2135 2.9933 3.0117 3.1501 3.1772 3.3124 3.3331 3.4203 3.4302 3.7352 3.7547 3.9583 3.9865 4.0526 4.0869 4.2991 4.3638 4.4811 4.5314 4.5866 4.6176 4.6388 4.6791 4.7134 4.7740 4.8564 4.8955 5.0442 5.0688 5.2216 5.2277 6.4424 6.5137 6.6579 6.7403 7.1986 7.2712 7.5891 7.6394 9.5771 9.5922 9.9668 10.0095 12.3583 12.3747 12.5434 12.5482 14.0588 14.0748 k = 0.5000-0.0538 0.5000 ( 5240 PWs) bands (ev): -4.9441 -4.9436 -4.7504 -4.7501 1.8685 1.8759 2.2122 2.2144 3.0018 3.0168 3.1500 3.1708 3.3119 3.3277 3.4175 3.4257 3.7345 3.7498 3.9633 3.9854 4.0562 4.0844 4.3041 4.3556 4.4884 4.5303 4.5890 4.6197 4.6383 4.6753 4.7118 4.7626 4.8610 4.8925 5.0484 5.0679 5.2243 5.2292 6.4845 6.5431 6.6972 6.7653 7.2241 7.2849 7.6087 7.6486 9.5251 9.5372 9.9068 9.9413 12.3560 12.3692 12.5573 12.5611 14.0626 14.0751 k = 0.5000-0.0385 0.5000 ( 5240 PWs) bands (ev): -4.9462 -4.9459 -4.7509 -4.7507 1.8687 1.8740 2.2134 2.2149 3.0086 3.0197 3.1507 3.1654 3.3123 3.3233 3.4160 3.4221 3.7346 3.7456 3.9680 3.9838 4.0604 4.0814 4.3099 4.3473 4.4961 4.5277 4.5922 4.6168 4.6419 4.6704 4.7134 4.7516 4.8661 4.8891 5.0524 5.0665 5.2267 5.2301 6.5197 6.5633 6.7308 6.7818 7.2471 7.2930 7.6248 7.6537 9.4859 9.4947 9.8617 9.8871 12.3551 12.3648 12.5685 12.5712 14.0659 14.0749 k = 0.5000-0.0231 0.5000 ( 5248 PWs) bands (ev): -4.9476 -4.9475 -4.7513 -4.7511 1.8691 1.8723 2.2142 2.2152 3.0138 3.0205 3.1521 3.1609 3.3132 3.3198 3.4155 3.4193 3.7354 3.7420 3.9722 3.9817 4.0648 4.0777 4.3163 4.3391 4.5038 4.5234 4.5961 4.6116 4.6473 4.6648 4.7175 4.7412 4.8712 4.8851 5.0560 5.0645 5.2285 5.2306 6.5469 6.5738 6.7576 6.7891 7.2666 7.2952 7.6375 7.6551 9.4599 9.4652 9.8326 9.8482 12.3553 12.3612 12.5764 12.5780 14.0688 14.0742 k = 0.5000-0.0077 0.5000 ( 5248 PWs) bands (ev): -4.9483 -4.9483 -4.7514 -4.7514 1.8699 1.8709 2.2148 2.2152 3.0175 3.0197 3.1543 3.1572 3.3148 3.3170 3.4159 3.4172 3.7369 3.7392 3.9759 3.9790 4.0693 4.0737 4.3234 4.3311 4.5112 4.5179 4.6008 4.6061 4.6531 4.6590 4.7239 4.7319 4.8761 4.8808 5.0592 5.0621 5.2297 5.2304 6.5654 6.5745 6.7767 6.7874 7.2817 7.2914 7.6469 7.6527 9.4477 9.4495 9.8205 9.8258 12.3565 12.3585 12.5807 12.5813 14.0711 14.0730 k = 0.5000 0.0077 0.5000 ( 5248 PWs) bands (ev): -4.9483 -4.9483 -4.7514 -4.7514 1.8699 1.8709 2.2148 2.2152 3.0175 3.0197 3.1543 3.1572 3.3148 3.3170 3.4159 3.4172 3.7369 3.7392 3.9759 3.9790 4.0693 4.0737 4.3234 4.3311 4.5112 4.5179 4.6008 4.6061 4.6531 4.6590 4.7239 4.7319 4.8761 4.8808 5.0592 5.0621 5.2297 5.2304 6.5654 6.5745 6.7767 6.7874 7.2817 7.2914 7.6469 7.6527 9.4477 9.4495 9.8205 9.8258 12.3565 12.3585 12.5807 12.5813 14.0711 14.0730 k = 0.5000 0.0231 0.5000 ( 5248 PWs) bands (ev): -4.9476 -4.9475 -4.7513 -4.7511 1.8691 1.8723 2.2142 2.2152 3.0138 3.0205 3.1521 3.1609 3.3132 3.3198 3.4155 3.4193 3.7354 3.7420 3.9722 3.9817 4.0648 4.0777 4.3163 4.3391 4.5038 4.5234 4.5961 4.6116 4.6473 4.6648 4.7175 4.7412 4.8712 4.8851 5.0560 5.0645 5.2285 5.2306 6.5469 6.5738 6.7576 6.7891 7.2666 7.2952 7.6375 7.6551 9.4599 9.4652 9.8326 9.8482 12.3553 12.3612 12.5764 12.5780 14.0688 14.0742 k = 0.5000 0.0385 0.5000 ( 5240 PWs) bands (ev): -4.9462 -4.9459 -4.7509 -4.7507 1.8687 1.8740 2.2134 2.2149 3.0086 3.0197 3.1507 3.1654 3.3123 3.3233 3.4160 3.4221 3.7346 3.7456 3.9680 3.9838 4.0604 4.0814 4.3099 4.3473 4.4961 4.5277 4.5922 4.6168 4.6419 4.6704 4.7134 4.7516 4.8661 4.8891 5.0524 5.0665 5.2267 5.2301 6.5197 6.5633 6.7308 6.7818 7.2471 7.2930 7.6248 7.6537 9.4859 9.4947 9.8617 9.8871 12.3551 12.3648 12.5685 12.5712 14.0659 14.0749 k = 0.5000 0.0538 0.5000 ( 5240 PWs) bands (ev): -4.9441 -4.9436 -4.7504 -4.7501 1.8685 1.8759 2.2122 2.2144 3.0018 3.0168 3.1500 3.1708 3.3119 3.3277 3.4175 3.4257 3.7345 3.7498 3.9633 3.9854 4.0562 4.0844 4.3041 4.3556 4.4884 4.5303 4.5890 4.6197 4.6383 4.6753 4.7118 4.7626 4.8610 4.8925 5.0484 5.0679 5.2243 5.2292 6.4845 6.5431 6.6972 6.7653 7.2241 7.2849 7.6087 7.6486 9.5251 9.5372 9.9068 9.9413 12.3560 12.3692 12.5573 12.5611 14.0626 14.0751 k = 0.5000 0.0692 0.5000 ( 5232 PWs) bands (ev): -4.9412 -4.9406 -4.7497 -4.7494 1.8687 1.8782 2.2108 2.2135 2.9933 3.0117 3.1501 3.1772 3.3124 3.3331 3.4203 3.4302 3.7352 3.7547 3.9583 3.9865 4.0526 4.0869 4.2991 4.3638 4.4811 4.5314 4.5866 4.6176 4.6388 4.6791 4.7134 4.7740 4.8564 4.8955 5.0442 5.0688 5.2216 5.2277 6.4424 6.5137 6.6579 6.7403 7.1986 7.2712 7.5891 7.6394 9.5771 9.5922 9.9668 10.0095 12.3583 12.3747 12.5434 12.5482 14.0588 14.0748 k = 0.5000 0.0846 0.5000 ( 5224 PWs) bands (ev): -4.9376 -4.9369 -4.7489 -4.7485 1.8691 1.8809 2.2091 2.2124 2.9826 3.0039 3.1509 3.1846 3.3137 3.3397 3.4244 3.4357 3.7367 3.7602 3.9531 3.9872 4.0495 4.0891 4.2949 4.3717 4.4744 4.5309 4.5851 4.6116 4.6420 4.6815 4.7182 4.7850 4.8526 4.8982 5.0399 5.0691 5.2184 5.2257 6.3941 6.4756 6.6145 6.7076 7.1712 7.2525 7.5660 7.6262 9.6408 9.6586 10.0401 10.0902 12.3620 12.3812 12.5273 12.5334 14.0545 14.0741 k = 0.5000 0.1000 0.5000 ( 5232 PWs) bands (ev): -4.9334 -4.9325 -4.7479 -4.7474 1.8699 1.8838 2.2072 2.2109 2.9697 2.9927 3.1526 3.1930 3.3160 3.3475 3.4298 3.4423 3.7388 3.7663 3.9478 3.9875 4.0468 4.0911 4.2913 4.3789 4.4684 4.5289 4.5841 4.6043 4.6453 4.6830 4.7250 4.7946 4.8506 4.9004 5.0353 5.0687 5.2148 5.2232 6.3404 6.4291 6.5686 6.6685 7.1424 7.2292 7.5393 7.6088 9.7154 9.7355 10.1251 10.1816 12.3674 12.3889 12.5098 12.5173 14.0498 14.0731 k = 0.5000 0.1154 0.5000 ( 5224 PWs) bands (ev): -4.9285 -4.9276 -4.7467 -4.7462 1.8710 1.8872 2.2050 2.2092 2.9542 2.9781 3.1555 3.2026 3.3196 3.3567 3.4367 3.4502 3.7419 3.7730 3.9428 3.9876 4.0446 4.0933 4.2885 4.3853 4.4636 4.5258 4.5831 4.5970 4.6481 4.6841 4.7327 4.8018 4.8517 4.9025 5.0307 5.0678 5.2110 5.2204 6.2821 6.3749 6.5218 6.6247 7.1124 7.2019 7.5093 7.5874 9.7998 9.8218 10.2202 10.2822 12.3746 12.3976 12.4916 12.5011 14.0448 14.0720 k = 0.5000 0.1308 0.5000 ( 5216 PWs) bands (ev): -4.9230 -4.9220 -4.7454 -4.7448 1.8724 1.8908 2.2025 2.2073 2.9359 2.9596 3.1595 3.2133 3.3247 3.3673 3.4450 3.4595 3.7456 3.7803 3.9384 3.9877 4.0426 4.0958 4.2862 4.3906 4.4600 4.5216 4.5804 4.5919 4.6499 4.6852 4.7399 4.8060 4.8562 4.9045 5.0261 5.0661 5.2070 5.2173 6.2197 6.3137 6.4754 6.5781 7.0810 7.1710 7.4759 7.5620 9.8929 9.9165 10.3236 10.3904 12.3830 12.4065 12.4742 12.4868 14.0394 14.0710 k = 0.5000 0.1462 0.5000 ( 5216 PWs) bands (ev): -4.9170 -4.9159 -4.7439 -4.7433 1.8742 1.8949 2.1999 2.2050 2.9148 2.9374 3.1649 3.2251 3.3312 3.3792 3.4548 3.4703 3.7498 3.7878 3.9348 3.9879 4.0409 4.0988 4.2843 4.3944 4.4578 4.5166 4.5742 4.5907 4.6507 4.6863 4.7455 4.8082 4.8633 4.9069 5.0215 5.0638 5.2028 5.2141 6.1539 6.2468 6.4302 6.5302 7.0483 7.1369 7.4394 7.5328 9.9937 10.0183 10.4339 10.5046 12.3907 12.4126 12.4606 12.4778 14.0338 14.0703 k = 0.5000 0.1615 0.5000 ( 5208 PWs) bands (ev): -4.9105 -4.9093 -4.7424 -4.7417 1.8763 1.8993 2.1970 2.2026 2.8907 2.9118 3.1716 3.2380 3.3394 3.3925 3.4659 3.4827 3.7547 3.7954 3.9324 3.9885 4.0393 4.1026 4.2827 4.3965 4.4571 4.5108 4.5667 4.5915 4.6507 4.6872 4.7486 4.8102 4.8710 4.9100 5.0170 5.0608 5.1985 5.2109 6.0851 6.1754 6.3870 6.4826 7.0142 7.1002 7.3999 7.5000 10.1010 10.1263 10.5494 10.6235 12.3931 12.4102 12.4579 12.4794 14.0281 14.0702 k = 0.5000 0.1769 0.5000 ( 5220 PWs) bands (ev): -4.9036 -4.9023 -4.7407 -4.7400 1.8788 1.9041 2.1938 2.1999 2.8636 2.8830 3.1797 3.2519 3.3492 3.4069 3.4783 3.4965 3.7599 3.8027 3.9315 3.9895 4.0378 4.1069 4.2811 4.3970 4.4573 4.5043 4.5594 4.5931 4.6498 4.6879 4.7488 4.8126 4.8778 4.9142 5.0124 5.0569 5.1940 5.2077 6.0139 6.1008 6.3459 6.4363 6.9788 7.0612 7.3578 7.4639 10.2137 10.2393 10.6689 10.7455 12.3868 12.3990 12.4702 12.4929 14.0223 14.0708 k = 0.5000 0.1923 0.5000 ( 5232 PWs) bands (ev): -4.8963 -4.8950 -4.7390 -4.7382 1.8816 1.9093 2.1905 2.1971 2.8333 2.8520 3.1892 3.2667 3.3606 3.4223 3.4920 3.5117 3.7655 3.8093 3.9323 3.9913 4.0366 4.1120 4.2796 4.3962 4.4580 4.4974 4.5531 4.5949 4.6480 4.6883 4.7467 4.8155 4.8829 4.9195 5.0079 5.0522 5.1891 5.2048 5.9409 6.0241 6.3075 6.3925 6.9420 7.0203 7.3132 7.4247 10.3309 10.3563 10.7909 10.8691 12.3748 12.3851 12.4933 12.5153 14.0167 14.0725 k = 0.5000 0.2077 0.5000 ( 5224 PWs) bands (ev): -4.8887 -4.8873 -4.7372 -4.7364 1.8849 1.9149 2.1870 2.1941 2.7999 2.8192 3.1999 3.2825 3.3734 3.4386 3.5070 3.5285 3.7716 3.8151 3.9351 3.9942 4.0357 4.1180 4.2779 4.3945 4.4581 4.4906 4.5482 4.5970 4.6455 4.6886 4.7430 4.8186 4.8864 4.9254 5.0037 5.0467 5.1841 5.2024 5.8668 5.9464 6.2721 6.3519 6.9043 6.9779 7.2666 7.3827 10.4513 10.4763 10.9140 10.9929 12.3608 12.3714 12.5241 12.5448 14.0114 14.0754 k = 0.5000 0.2231 0.5000 ( 5224 PWs) bands (ev): -4.8808 -4.8794 -4.7353 -4.7345 1.8887 1.9210 2.1833 2.1911 2.7637 2.7852 3.2119 3.2991 3.3876 3.4556 3.5231 3.5465 3.7779 3.8197 3.9398 3.9982 4.0354 4.1245 4.2761 4.3922 4.4563 4.4848 4.5449 4.5990 4.6421 4.6884 4.7381 4.8212 4.8884 4.9309 4.9996 5.0404 5.1785 5.2004 5.7921 5.8685 6.2399 6.3149 6.8657 6.9345 7.2182 7.3383 10.5741 10.5983 11.0367 11.1153 12.3470 12.3590 12.5611 12.5814 14.0065 14.0801 k = 0.5000 0.2385 0.5000 ( 5224 PWs) bands (ev): -4.8727 -4.8713 -4.7334 -4.7326 1.8930 1.9276 2.1795 2.1880 2.7251 2.7503 3.2250 3.3164 3.4029 3.4731 3.5401 3.5657 3.7846 3.8231 3.9460 4.0034 4.0359 4.1317 4.2739 4.3895 4.4519 4.4808 4.5431 4.6007 4.6380 4.6879 4.7327 4.8233 4.8893 4.9353 4.9957 5.0333 5.1725 5.1989 5.7174 5.7914 6.2112 6.2821 6.8265 6.8904 7.1682 7.2918 10.6980 10.7212 11.1577 11.2348 12.3343 12.3483 12.6035 12.6263 14.0022 14.0866 k = 0.5000 0.2538 0.5000 ( 5224 PWs) bands (ev): -4.8646 -4.8631 -4.7315 -4.7307 1.8978 1.9347 2.1755 2.1850 2.6848 2.7146 3.2392 3.3343 3.4192 3.4910 3.5578 3.5859 3.7918 3.8256 3.9532 4.0095 4.0380 4.1395 4.2713 4.3865 4.4452 4.4784 4.5427 4.6019 4.6332 4.6871 4.7268 4.8248 4.8891 4.9379 4.9922 5.0253 5.1658 5.1975 5.6434 5.7157 6.1863 6.2537 6.7872 6.8460 7.1171 7.2434 10.8219 10.8439 11.2755 11.3499 12.3233 12.3396 12.6512 12.6808 13.9987 14.0953 k = 0.5000 0.2692 0.5000 ( 5220 PWs) bands (ev): -4.8564 -4.8549 -4.7295 -4.7287 1.9032 1.9423 2.1715 2.1820 2.6433 2.6782 3.2543 3.3526 3.4363 3.5090 3.5760 3.6069 3.7995 3.8276 3.9607 4.0153 4.0428 4.1477 4.2684 4.3833 4.4376 4.4767 4.5435 4.6023 4.6281 4.6861 4.7207 4.8259 4.8879 4.9384 4.9892 5.0165 5.1583 5.1959 5.5708 5.6425 6.1655 6.2298 6.7480 6.8018 7.0651 7.1936 10.9446 10.9652 11.3887 11.4591 12.3143 12.3333 12.7047 12.7452 13.9962 14.1066 k = 0.5000 0.2846 0.5000 ( 5220 PWs) bands (ev): -4.8483 -4.8468 -4.7276 -4.7268 1.9093 1.9504 2.1674 2.1791 2.6012 2.6414 3.2702 3.3711 3.4539 3.5271 3.5944 3.6282 3.8080 3.8296 3.9683 4.0198 4.0513 4.1564 4.2652 4.3798 4.4299 4.4751 4.5452 4.6010 4.6234 4.6849 4.7144 4.8264 4.8854 4.9368 4.9864 5.0068 5.1500 5.1935 5.5000 5.5725 6.1487 6.2108 6.7093 6.7580 7.0125 7.1426 11.0645 11.0838 11.4959 11.5616 12.3074 12.3295 12.7649 12.8195 13.9949 14.1205 k = 0.5000 0.3000 0.5000 ( 5228 PWs) bands (ev): -4.8403 -4.8388 -4.7257 -4.7250 1.9161 1.9591 2.1632 2.1763 2.5588 2.6044 3.2867 3.3895 3.4720 3.5452 3.6127 3.6493 3.8172 3.8321 3.9756 4.0232 4.0631 4.1652 4.2617 4.3760 4.4229 4.4733 4.5473 4.5974 4.6199 4.6836 4.7079 4.8265 4.8817 4.9333 4.9835 4.9963 5.1403 5.1898 5.4321 5.5067 6.1364 6.1965 6.6715 6.7151 6.9595 7.0908 11.1802 11.1983 11.5963 11.6566 12.3029 12.3283 12.8325 12.9035 13.9950 14.1373 k = 0.5000 0.3154 0.5000 ( 5196 PWs) bands (ev): -4.8325 -4.8311 -4.7239 -4.7232 1.9237 1.9685 2.1591 2.1739 2.5167 2.5676 3.3039 3.4076 3.4903 3.5631 3.6305 3.6699 3.8274 3.8362 3.9826 4.0266 4.0769 4.1743 4.2585 4.3722 4.4174 4.4713 4.5498 4.5915 4.6179 4.6823 4.7014 4.8262 4.8769 4.9285 4.9797 4.9858 5.1293 5.1839 5.3684 5.4463 6.1285 6.1871 6.6352 6.6736 6.9066 7.0385 11.2898 11.3070 11.6892 11.7444 12.3008 12.3299 12.9076 12.9966 13.9966 14.1571 k = 0.5000 0.3308 0.5000 ( 5200 PWs) bands (ev): -4.8249 -4.8236 -4.7221 -4.7214 1.9321 1.9784 2.1550 2.1717 2.4750 2.5311 3.3214 3.4249 3.5086 3.5806 3.6473 3.6888 3.8372 3.8432 3.9893 4.0304 4.0913 4.1829 4.2555 4.3682 4.4131 4.4687 4.5521 4.5839 4.6165 4.6803 4.6950 4.8250 4.8705 4.9225 4.9705 4.9794 5.1162 5.1741 5.3109 5.3923 6.1251 6.1824 6.6005 6.6336 6.8538 6.9858 11.3914 11.4084 11.7743 11.8258 12.3009 12.3343 12.9900 13.0977 13.9999 14.1797 k = 0.5000 0.3462 0.5000 ( 5208 PWs) bands (ev): -4.8178 -4.8165 -4.7205 -4.7198 1.9414 1.9889 2.1509 2.1699 2.4340 2.4952 3.3391 3.4411 3.5268 3.5976 3.6629 3.7054 3.8463 3.8545 3.9958 4.0352 4.1056 4.1908 4.2534 4.3645 4.4103 4.4656 4.5542 4.5758 4.6154 4.6768 4.6897 4.8230 4.8623 4.9152 4.9577 4.9755 5.1010 5.1577 5.2631 5.3455 6.1260 6.1823 6.5680 6.5955 6.8014 6.9332 11.4831 11.5004 11.8521 11.9019 12.3033 12.3415 13.0791 13.2053 14.0048 14.2047 k = 0.5000 0.3615 0.5000 ( 5224 PWs) bands (ev): -4.8110 -4.8098 -4.7189 -4.7183 1.9516 2.0000 2.1468 2.1685 2.3941 2.4601 3.3568 3.4557 3.5448 3.6140 3.6769 3.7187 3.8568 3.8678 4.0024 4.0414 4.1189 4.1971 4.2525 4.3615 4.4087 4.4616 4.5555 4.5680 4.6140 4.6705 4.6868 4.8198 4.8521 4.9058 4.9450 4.9716 5.0834 5.1324 5.2289 5.3064 6.1313 6.1866 6.5378 6.5599 6.7497 6.8810 11.5634 11.5814 11.9235 11.9738 12.3076 12.3513 13.1739 13.3177 14.0112 14.2310 k = 0.5000 0.3769 0.5000 ( 5224 PWs) bands (ev): -4.8048 -4.8037 -4.7174 -4.7169 1.9630 2.0117 2.1427 2.1678 2.3554 2.4261 3.3743 3.4685 3.5627 3.6296 3.6893 3.7285 3.8697 3.8818 4.0099 4.0491 4.1309 4.2014 4.2533 4.3595 4.4083 4.4569 4.5548 4.5625 4.6123 4.6624 4.6855 4.8154 4.8396 4.8923 4.9351 4.9677 5.0638 5.1016 5.2071 5.2749 6.1408 6.1952 6.5103 6.5271 6.6989 6.8294 11.6317 11.6500 11.9890 12.0419 12.3137 12.3635 13.2729 13.4328 14.0188 14.2551 k = 0.5000 0.3923 0.5000 ( 5224 PWs) bands (ev): -4.7991 -4.7981 -4.7161 -4.7156 1.9756 2.0239 2.1387 2.1677 2.3181 2.3933 3.3914 3.4790 3.5801 3.6441 3.6998 3.7350 3.8840 3.8958 4.0188 4.0584 4.1411 4.2031 4.2557 4.3584 4.4090 4.4513 4.5503 4.5614 4.6100 4.6539 4.6849 4.8092 4.8249 4.8737 4.9295 4.9638 5.0427 5.0725 5.1925 5.2498 6.1543 6.2076 6.4848 6.4983 6.6492 6.7787 11.6879 11.7058 12.0490 12.1057 12.3211 12.3776 13.3745 13.5489 14.0269 14.2594 k = 0.5000 0.4077 0.5000 ( 5228 PWs) bands (ev): -4.7940 -4.7932 -4.7149 -4.7145 1.9895 2.0365 2.1347 2.1686 2.2824 2.3619 3.4080 3.4871 3.5971 3.6573 3.7085 3.7388 3.8982 3.9092 4.0297 4.0693 4.1494 4.2023 4.2592 4.3580 4.4104 4.4451 4.5453 4.5618 4.6068 4.6464 4.6840 4.7987 4.8101 4.8524 4.9276 4.9602 5.0220 5.0485 5.1817 5.2297 6.1716 6.2235 6.4602 6.4755 6.6009 6.7293 11.7330 11.7497 12.1030 12.1638 12.3301 12.3928 13.4770 13.6639 14.0346 14.2492 k = 0.5000 0.4231 0.5000 ( 5236 PWs) bands (ev): -4.7896 -4.7889 -4.7139 -4.7136 2.0046 2.0494 2.1306 2.1707 2.2484 2.3321 3.4237 3.4925 3.6134 3.6686 3.7153 3.7404 3.9109 3.9213 4.0433 4.0816 4.1558 4.1990 4.2633 4.3574 4.4117 4.4388 4.5416 4.5621 4.6028 4.6412 4.6822 4.7788 4.7997 4.8324 4.9285 4.9571 5.0039 5.0291 5.1735 5.2133 6.1924 6.2421 6.4362 6.4591 6.5542 6.6815 11.7683 11.7830 12.1502 12.2135 12.3413 12.4080 13.5780 13.7760 14.0407 14.2399 k = 0.5000 0.4385 0.5000 ( 5248 PWs) bands (ev): -4.7860 -4.7853 -4.7131 -4.7128 2.0213 2.0621 2.1264 2.1740 2.2163 2.3042 3.4383 3.4954 3.6289 3.6775 3.7204 3.7407 3.9212 3.9313 4.0596 4.0950 4.1598 4.1931 4.2685 4.3554 4.4123 4.4335 4.5394 4.5619 4.5992 4.6390 4.6790 4.7530 4.7917 4.8168 4.9313 4.9547 4.9894 5.0129 5.1676 5.1997 6.2164 6.2628 6.4140 6.4482 6.5099 6.6358 11.7952 11.8075 12.1900 12.2512 12.3565 12.4219 13.6753 13.8829 14.0436 14.2348 k = 0.5000 0.4538 0.5000 ( 5240 PWs) bands (ev): -4.7830 -4.7826 -4.7124 -4.7122 2.0395 2.0743 2.1219 2.1766 2.1891 2.2783 3.4518 3.4957 3.6433 3.6833 3.7245 3.7402 3.9295 3.9385 4.0785 4.1088 4.1609 4.1845 4.2756 4.3504 4.4122 4.4298 4.5389 4.5605 4.5990 4.6393 4.6739 4.7262 4.7858 4.8054 4.9356 4.9534 4.9786 4.9991 5.1640 5.1885 6.2435 6.2845 6.3939 6.4402 6.4712 6.5929 11.8152 11.8246 12.2223 12.2742 12.3767 12.4328 13.7656 13.9785 14.0452 14.2353 k = 0.5000 0.4692 0.5000 ( 5232 PWs) bands (ev): -4.7809 -4.7806 -4.7119 -4.7117 2.0593 2.0856 2.1168 2.1552 2.1902 2.2548 3.4638 3.4936 3.6563 3.6850 3.7280 3.7390 3.9358 3.9428 4.0989 4.1222 4.1588 4.1727 4.2856 4.3411 4.4129 4.4267 4.5402 4.5570 4.6039 4.6401 4.6677 4.7019 4.7827 4.7967 4.9407 4.9530 4.9711 4.9873 5.1626 5.1792 6.2733 6.3060 6.3757 6.4160 6.4584 6.5533 11.8292 11.8355 12.2475 12.2841 12.3989 12.4390 13.8455 14.0152 14.0882 14.2412 k = 0.5000 0.4846 0.5000 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0807 2.0956 2.1109 2.1289 2.2012 2.2338 3.4741 3.4892 3.6675 3.6826 3.7314 3.7371 3.9404 3.9442 4.1196 4.1346 4.1531 4.1578 4.2984 4.3281 4.4155 4.4232 4.5431 4.5523 4.6136 4.6366 4.6650 4.6830 4.7826 4.7900 4.9459 4.9524 4.9679 4.9775 5.1635 5.1719 6.3055 6.3260 6.3584 6.3796 6.4686 6.5184 11.8379 11.8411 12.2660 12.2848 12.4184 12.4390 13.9118 13.9971 14.1618 14.2442 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.4911 0.4911 0.4911 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0787 2.0944 2.1146 2.1283 2.2009 2.2344 3.4696 3.4948 3.6629 3.6896 3.7312 3.7352 3.9414 3.9430 4.1236 4.1281 4.1521 4.1610 4.2976 4.3309 4.4119 4.4259 4.5412 4.5533 4.6261 4.6272 4.6561 4.6882 4.7826 4.7876 4.9447 4.9565 4.9630 4.9782 5.1666 5.1722 6.2929 6.3269 6.3646 6.3824 6.4717 6.5182 11.8348 11.8349 12.2612 12.2938 12.4134 12.4494 13.9432 13.9648 14.1996 14.2241 k = 0.4821 0.4821 0.4821 ( 5232 PWs) bands (ev): -4.7810 -4.7806 -4.7119 -4.7118 2.0561 2.0821 2.1230 2.1551 2.1898 2.2561 3.4558 3.5056 3.6490 3.7023 3.7257 3.7332 3.9372 3.9405 4.1066 4.1093 4.1607 4.1743 4.2863 4.3488 4.4043 4.4319 4.5358 4.5578 4.6284 4.6296 4.6449 4.7081 4.7800 4.7895 4.9409 4.9559 4.9638 4.9871 5.1718 5.1831 6.2502 6.3009 6.3818 6.4290 6.4671 6.5542 11.8140 11.8143 12.2422 12.3071 12.3931 12.4647 13.9103 13.9478 14.1658 14.2202 k = 0.4732 0.4732 0.4732 ( 5235 PWs) bands (ev): -4.7831 -4.7826 -4.7124 -4.7123 2.0350 2.0686 2.1309 2.1822 2.1832 2.2805 3.4414 3.5147 3.6346 3.7145 3.7183 3.7282 3.9306 3.9361 4.0892 4.0897 4.1638 4.1848 4.2811 4.3652 4.3966 4.4372 4.5320 4.5599 4.6328 4.6331 4.6369 4.7294 4.7780 4.7909 4.9397 4.9490 4.9719 4.9976 5.1817 5.1985 6.2089 6.2702 6.4017 6.4748 6.4767 6.5950 11.7799 11.7808 12.2216 12.3184 12.3718 12.4779 13.8658 13.9105 14.1198 14.1912 k = 0.4643 0.4643 0.4643 ( 5238 PWs) bands (ev): -4.7861 -4.7854 -4.7132 -4.7129 2.0154 2.0545 2.1387 2.1778 2.2126 2.3070 3.4266 3.5216 3.6198 3.7095 3.7202 3.7264 3.9220 3.9299 4.0695 4.0723 4.1619 4.1922 4.2820 4.3789 4.3892 4.4420 4.5304 4.5595 4.6319 4.6365 4.6399 4.7502 4.7772 4.7920 4.9421 4.9423 4.9812 5.0104 5.1952 5.2174 6.1691 6.2366 6.4258 6.4930 6.5255 6.6388 11.7337 11.7353 12.2000 12.3278 12.3495 12.4887 13.8109 13.8548 14.0656 14.1440 k = 0.4554 0.4554 0.4554 ( 5238 PWs) bands (ev): -4.7899 -4.7891 -4.7141 -4.7138 1.9974 2.0402 2.1467 2.1759 2.2431 2.3352 3.4117 3.5257 3.6048 3.7001 3.7090 3.7379 3.9117 3.9223 4.0492 4.0566 4.1566 4.1963 4.2873 4.3822 4.3892 4.4465 4.5310 4.5568 4.6297 4.6406 4.6483 4.7682 4.7777 4.7933 4.9362 4.9491 4.9925 5.0257 5.2113 5.2388 6.1308 6.2018 6.4547 6.5200 6.5751 6.6849 11.6767 11.6793 12.1779 12.3266 12.3351 12.4969 13.7462 13.7845 14.0070 14.0946 k = 0.4464 0.4464 0.4464 ( 5226 PWs) bands (ev): -4.7945 -4.7936 -4.7153 -4.7148 1.9810 2.0264 2.1551 2.1763 2.2748 2.3651 3.3967 3.5262 3.5896 3.6912 3.6948 3.7490 3.9003 3.9137 4.0290 4.0425 4.1499 4.1972 4.2947 4.3759 4.3965 4.4508 4.5335 4.5524 4.6297 4.6452 4.6576 4.7800 4.7816 4.7951 4.9309 4.9602 5.0081 5.0439 5.2291 5.2618 6.0941 6.1668 6.4885 6.5547 6.6256 6.7328 11.6106 11.6141 12.1557 12.3034 12.3403 12.5022 13.6725 13.7032 13.9470 14.0438 k = 0.4375 0.4375 0.4375 ( 5226 PWs) bands (ev): -4.7999 -4.7990 -4.7167 -4.7160 1.9663 2.0134 2.1640 2.1786 2.3075 2.3961 3.3818 3.5222 3.5742 3.6777 3.6838 3.7596 3.8884 3.9041 4.0092 4.0298 4.1429 4.1949 4.3026 4.3702 4.4009 4.4550 4.5370 4.5470 4.6315 4.6503 4.6671 4.7838 4.7895 4.7974 4.9263 4.9725 5.0314 5.0649 5.2477 5.2854 6.0590 6.1321 6.5270 6.5961 6.6766 6.7822 11.5373 11.5415 12.1336 12.2799 12.3432 12.5045 13.5904 13.6136 13.8876 13.9921 k = 0.4286 0.4286 0.4286 ( 5238 PWs) bands (ev): -4.8060 -4.8052 -4.7183 -4.7173 1.9532 2.0015 2.1736 2.1824 2.3411 2.4282 3.3671 3.5133 3.5587 3.6582 3.6786 3.7696 3.8763 3.8940 3.9901 4.0187 4.1362 4.1900 4.3098 4.3650 4.4035 4.4590 4.5410 4.5412 4.6347 4.6558 4.6764 4.7890 4.7927 4.8002 4.9228 4.9832 5.0643 5.0891 5.2663 5.3088 6.0255 6.0980 6.5699 6.6435 6.7281 6.8328 11.4585 11.4634 12.1121 12.2565 12.3435 12.5034 13.5011 13.5180 13.8300 13.9404 k = 0.4196 0.4196 0.4196 ( 5238 PWs) bands (ev): -4.8130 -4.8122 -4.7201 -4.7188 1.9418 1.9908 2.1841 2.1879 2.3757 2.4612 3.3529 3.5000 3.5434 3.6368 3.6759 3.7790 3.8647 3.8836 3.9719 4.0087 4.1300 4.1830 4.3155 4.3603 4.4049 4.4628 4.5359 4.5448 4.6389 4.6618 4.6854 4.7928 4.7951 4.8036 4.9204 4.9918 5.1055 5.1161 5.2845 5.3318 5.9936 6.0649 6.6165 6.6963 6.7800 6.8849 11.3760 11.3814 12.0914 12.2334 12.3412 12.4988 13.4059 13.4177 13.7748 13.8891 k = 0.4107 0.4107 0.4107 ( 5238 PWs) bands (ev): -4.8208 -4.8201 -4.7220 -4.7205 1.9322 1.9816 2.1948 2.1954 2.4111 2.4950 3.3391 3.4831 3.5283 3.6141 3.6754 3.7875 3.8538 3.8732 3.9552 3.9995 4.1242 4.1742 4.3190 4.3558 4.4059 4.4662 4.5318 4.5483 4.6437 4.6681 4.6938 4.7911 4.8016 4.8072 4.9192 4.9991 5.1462 5.1529 5.3020 5.3538 5.9635 6.0329 6.6660 6.7534 6.8321 6.9381 11.2916 11.2974 12.0717 12.2109 12.3359 12.4907 13.3061 13.3140 13.7221 13.8388 k = 0.4018 0.4018 0.4018 ( 5223 PWs) bands (ev): -4.8294 -4.8288 -4.7240 -4.7222 1.9244 1.9740 2.2031 2.2077 2.4471 2.5294 3.3260 3.4638 3.5135 3.5909 3.6762 3.7946 3.8439 3.8629 3.9403 3.9909 4.1188 4.1643 4.3201 4.3515 4.4069 4.4691 4.5295 4.5516 4.6487 4.6748 4.7016 4.7889 4.8082 4.8111 4.9194 5.0055 5.1792 5.2048 5.3185 5.3748 5.9351 6.0022 6.7174 6.8140 6.8842 6.9925 11.2068 11.2128 12.0531 12.1892 12.3276 12.4787 13.2029 13.2080 13.6723 13.7899 k = 0.3929 0.3929 0.3929 ( 5226 PWs) bands (ev): -4.8388 -4.8383 -4.7261 -4.7239 1.9183 1.9680 2.2128 2.2210 2.4838 2.5642 3.3135 3.4431 3.4991 3.5675 3.6777 3.7998 3.8351 3.8524 3.9280 3.9825 4.1134 4.1534 4.3184 4.3474 4.4080 4.4713 4.5293 4.5546 4.6536 4.6814 4.7085 4.7869 4.8143 4.8149 4.9210 5.0111 5.2144 5.2599 5.3338 5.3945 5.9084 5.9728 6.7696 6.8769 6.9361 7.0479 11.1232 11.1294 12.0359 12.1685 12.3160 12.4630 13.0974 13.1006 13.6255 13.7428 k = 0.3839 0.3839 0.3839 ( 5226 PWs) bands (ev): -4.8490 -4.8487 -4.7283 -4.7257 1.9140 1.9637 2.2239 2.2353 2.5210 2.5993 3.3019 3.4219 3.4852 3.5445 3.6792 3.8022 3.8277 3.8419 3.9191 3.9740 4.1081 4.1418 4.3141 4.3433 4.4097 4.4727 4.5316 4.5578 4.6579 4.6878 4.7144 4.7858 4.8187 4.8198 4.9239 5.0163 5.2516 5.3172 5.3478 5.4130 5.8839 5.9450 6.8217 6.9408 6.9876 7.1041 11.0423 11.0485 12.0202 12.1491 12.3011 12.4434 12.9907 12.9925 13.5819 13.6976 k = 0.3750 0.3750 0.3750 ( 5217 PWs) bands (ev): -4.8601 -4.8599 -4.7304 -4.7275 1.9115 1.9611 2.2365 2.2508 2.5587 2.6346 3.2912 3.4011 3.4720 3.5224 3.6802 3.8011 3.8218 3.8315 3.9145 3.9653 4.1027 4.1298 4.3076 4.3392 4.4119 4.4733 4.5363 4.5614 4.6617 4.6940 4.7194 4.7862 4.8225 4.8246 4.9282 5.0210 5.2900 5.3606 5.3758 5.4308 5.8617 5.9191 6.8725 7.0046 7.0386 7.1605 10.9654 10.9715 12.0063 12.1312 12.2828 12.4200 12.8836 12.8846 13.5416 13.6546 k = 0.3661 0.3661 0.3661 ( 5217 PWs) bands (ev): -4.8720 -4.8719 -4.7325 -4.7293 1.9108 1.9604 2.2505 2.2674 2.5966 2.6699 3.2814 3.3811 3.4596 3.5013 3.6805 3.7964 3.8175 3.8211 3.9142 3.9562 4.0972 4.1175 4.2993 4.3349 4.4149 4.4730 4.5431 4.5653 4.6646 4.6996 4.7233 4.7881 4.8263 4.8286 4.9335 5.0253 5.3287 5.3722 5.4345 5.4481 5.8426 5.8952 6.9213 7.0668 7.0888 7.2166 10.8938 10.8998 11.9943 12.1150 12.2611 12.3929 12.7771 12.7776 13.5048 13.6135 k = 0.3571 0.3571 0.3571 ( 5211 PWs) bands (ev): -4.8848 -4.8847 -4.7345 -4.7310 1.9119 1.9614 2.2659 2.2852 2.6347 2.7050 3.2726 3.3624 3.4481 3.4816 3.6797 3.7887 3.8106 3.8149 3.9177 3.9467 4.0913 4.1051 4.2900 4.3304 4.4185 4.4719 4.5517 4.5697 4.6670 4.7047 4.7261 4.7917 4.8300 4.8320 4.9397 5.0293 5.3661 5.3827 5.4661 5.4914 5.8279 5.8741 6.9674 7.1260 7.1380 7.2715 10.8287 10.8345 11.9845 12.1009 12.2358 12.3622 12.6719 12.6724 13.4718 13.5424 k = 0.3482 0.3482 0.3482 ( 5226 PWs) bands (ev): -4.8984 -4.8982 -4.7364 -4.7327 1.9148 1.9643 2.2828 2.3041 2.6728 2.7398 3.2649 3.3451 3.4373 3.4635 3.6780 3.7789 3.8002 3.8137 3.9241 3.9366 4.0850 4.0926 4.2799 4.3254 4.4228 4.4699 4.5617 4.5745 4.6689 4.7090 4.7279 4.7967 4.8338 4.8349 4.9465 5.0329 5.3921 5.3996 5.4858 5.5434 5.8201 5.8563 7.0100 7.1808 7.1861 7.3240 10.7710 10.7765 11.9769 12.0889 12.2071 12.3280 12.5691 12.5699 13.4377 13.4426 k = 0.3393 0.3393 0.3393 ( 5232 PWs) bands (ev): -4.9129 -4.9125 -4.7381 -4.7342 1.9195 1.9690 2.3012 2.3243 2.7108 2.7742 3.2582 3.3297 3.4277 3.4471 3.6755 3.7681 3.7899 3.8139 3.9261 3.9324 4.0781 4.0803 4.2698 4.3199 4.4279 4.4673 4.5730 4.5799 4.6708 4.7126 4.7287 4.8030 4.8376 4.8376 4.9538 5.0364 5.4007 5.4271 5.5085 5.5855 5.8241 5.8432 7.0488 7.2296 7.2328 7.3732 10.7215 10.7267 11.9717 12.0793 12.1749 12.2906 12.4696 12.4712 13.3269 13.4175 k = 0.3304 0.3304 0.3304 ( 5238 PWs) bands (ev): -4.9280 -4.9276 -4.7398 -4.7356 1.9260 1.9755 2.3211 2.3457 2.7485 2.8079 3.2528 3.3161 3.4190 3.4324 3.6724 3.7568 3.7796 3.8150 3.9150 3.9421 4.0680 4.0707 4.2600 4.3138 4.4337 4.4643 4.5851 4.5858 4.6730 4.7155 4.7287 4.8102 4.8402 4.8415 4.9613 5.0396 5.4084 5.4475 5.5329 5.6120 5.8366 5.8453 7.0834 7.2714 7.2779 7.4181 10.6806 10.6853 11.9690 12.0723 12.1394 12.2500 12.3746 12.3775 13.2106 13.3683 k = 0.3214 0.3214 0.3214 ( 5226 PWs) bands (ev): -4.9439 -4.9434 -4.7412 -4.7368 1.9343 1.9840 2.3425 2.3684 2.7859 2.8408 3.2484 3.3045 3.4115 3.4196 3.6691 3.7457 3.7696 3.8170 3.9035 3.9526 4.0562 4.0628 4.2509 4.3070 4.4401 4.4613 4.5920 4.5980 4.6759 4.7179 4.7283 4.8182 4.8427 4.8455 4.9691 5.0427 5.4154 5.4623 5.5552 5.6217 5.8388 5.8843 7.1133 7.3048 7.3213 7.4577 10.6481 10.6521 11.9687 12.0679 12.1008 12.2065 12.2854 12.2904 13.0897 13.2453 k = 0.3125 0.3125 0.3125 ( 5220 PWs) bands (ev): -4.9605 -4.9599 -4.7424 -4.7379 1.9443 1.9942 2.3654 2.3924 2.8226 2.8727 3.2453 3.2950 3.4051 3.4087 3.6657 3.7349 3.7597 3.8192 3.8917 3.9633 4.0448 4.0542 4.2425 4.2994 4.4470 4.4581 4.5985 4.6112 4.6795 4.7197 4.7276 4.8266 4.8452 4.8496 4.9770 5.0457 5.4219 5.4732 5.5715 5.6193 5.8518 5.9363 7.1379 7.3292 7.3626 7.4917 10.6233 10.6265 11.9706 12.0595 12.0658 12.1605 12.2032 12.2121 12.9651 13.1132 k = 0.3036 0.3036 0.3036 ( 5217 PWs) bands (ev): -4.9776 -4.9770 -4.7434 -4.7387 1.9561 2.0063 2.3898 2.4175 2.8586 2.9035 3.2432 3.2875 3.3995 3.3999 3.6626 3.7246 3.7501 3.8214 3.8795 3.9736 4.0346 4.0451 4.2350 4.2910 4.4543 4.4552 4.6050 4.6246 4.6840 4.7211 4.7270 4.8352 4.8476 4.8537 4.9849 5.0485 5.4279 5.4812 5.5802 5.6099 5.8758 5.9955 7.1568 7.3439 7.4018 7.5197 10.6045 10.6066 11.9741 12.0165 12.0639 12.1144 12.1296 12.1450 12.8382 12.9766 k = 0.2946 0.2946 0.2946 ( 5229 PWs) bands (ev): -4.9954 -4.9947 -4.7442 -4.7394 1.9695 2.0202 2.4156 2.4439 2.8935 2.9329 3.2423 3.2820 3.3922 3.3958 3.6598 3.7150 3.7408 3.8234 3.8671 3.9817 4.0267 4.0356 4.2282 4.2818 4.4526 4.4619 4.6113 4.6378 4.6894 4.7223 4.7270 4.8438 4.8498 4.8578 4.9928 5.0512 5.4333 5.4866 5.5824 5.5969 5.9091 6.0584 7.1693 7.3488 7.4387 7.5422 10.5894 10.5902 11.9725 11.9778 12.0436 12.0665 12.0866 12.0927 12.7104 12.8375 k = 0.2857 0.2857 0.2857 ( 5220 PWs) bands (ev): -5.0136 -5.0129 -4.7448 -4.7399 1.9846 2.0359 2.4428 2.4713 2.9274 2.9608 3.2426 3.2785 3.3866 3.3930 3.6576 3.7063 3.7319 3.8251 3.8546 3.9844 4.0248 4.0261 4.2223 4.2723 4.4504 4.4696 4.6174 4.6504 4.6960 4.7237 4.7282 4.8520 4.8525 4.8621 5.0008 5.0539 5.4386 5.4893 5.5810 5.5820 5.9491 6.1230 7.1751 7.3441 7.4731 7.5597 10.5740 10.5747 11.9264 11.9801 11.9936 12.0181 12.0583 12.0875 12.5843 12.6981 k = 0.2768 0.2768 0.2768 ( 5220 PWs) bands (ev): -5.0324 -5.0316 -4.7451 -4.7401 2.0014 2.0533 2.4713 2.4999 2.9599 2.9872 3.2440 3.2769 3.3827 3.3914 3.6561 3.6985 3.7233 3.8261 3.8422 3.9796 4.0165 4.0304 4.2169 4.2625 4.4487 4.4772 4.6229 4.6616 4.7036 4.7254 4.7314 4.8539 4.8610 4.8664 5.0088 5.0564 5.4435 5.4887 5.5660 5.5786 5.9933 6.1882 7.1735 7.3304 7.5048 7.5730 10.5545 10.5567 11.8752 11.9357 11.9820 11.9908 12.0399 12.0935 12.4646 12.5615 k = 0.2679 0.2679 0.2679 ( 5223 PWs) bands (ev): -5.0514 -5.0507 -4.7452 -4.7402 2.0197 2.0724 2.5012 2.5295 2.9908 3.0118 3.2464 3.2771 3.3804 3.3909 3.6553 3.6916 3.7152 3.8265 3.8298 3.9703 4.0070 4.0404 4.2120 4.2530 4.4474 4.4845 4.6278 4.6710 4.7121 4.7276 4.7372 4.8555 4.8693 4.8706 5.0169 5.0588 5.4483 5.4847 5.5494 5.5771 6.0398 6.2532 7.1646 7.3085 7.5337 7.5831 10.5283 10.5320 11.8180 11.8737 11.9880 11.9886 12.0260 12.0952 12.3615 12.4344 k = 0.2589 0.2589 0.2589 ( 5217 PWs) bands (ev): -5.0709 -5.0701 -4.7450 -4.7400 2.0395 2.0932 2.5322 2.5600 3.0200 3.0346 3.2499 3.2791 3.3797 3.3916 3.6553 3.6857 3.7077 3.8177 3.8262 3.9591 3.9979 4.0520 4.2075 4.2441 4.4467 4.4913 4.6322 4.6781 4.7215 4.7305 4.7461 4.8568 4.8749 4.8774 5.0249 5.0611 5.4531 5.4771 5.5327 5.5777 6.0874 6.3173 7.1485 7.2795 7.5599 7.5907 10.4929 10.4978 11.7562 11.8081 11.9669 12.0103 12.0329 12.0750 12.2938 12.3348 k = 0.2500 0.2500 0.2500 ( 5226 PWs) bands (ev): -5.0905 -5.0898 -4.7446 -4.7396 2.0607 2.1156 2.5642 2.5913 3.0473 3.0556 3.2543 3.2825 3.3804 3.3935 3.6560 3.6807 3.7007 3.8060 3.8251 3.9469 3.9890 4.0640 4.2033 4.2363 4.4464 4.4972 4.6360 4.6832 4.7318 4.7340 4.7579 4.8578 4.8792 4.8851 5.0330 5.0633 5.4579 5.4666 5.5159 5.5804 6.1351 6.3803 7.1257 7.2443 7.5831 7.5963 10.4471 10.4527 11.6911 11.7389 11.8879 12.0057 12.0570 12.0794 12.2730 12.2907 k = 0.2411 0.2411 0.2411 ( 5217 PWs) bands (ev): -5.1104 -5.1096 -4.7440 -4.7390 2.0835 2.1395 2.5972 2.6233 3.0727 3.0749 3.2597 3.2875 3.3825 3.3965 3.6573 3.6766 3.6943 3.7949 3.8234 3.9340 3.9804 4.0758 4.1994 4.2302 4.4465 4.5019 4.6399 4.6870 4.7381 4.7429 4.7718 4.8584 4.8837 4.8927 5.0411 5.0654 5.4541 5.4627 5.4993 5.5850 6.1824 6.4417 7.0970 7.2045 7.6005 7.6033 10.3908 10.3967 11.6230 11.6659 11.7793 11.8951 12.1265 12.1488 12.2875 12.2957 k = 0.2321 0.2321 0.2321 ( 5229 PWs) bands (ev): -5.1303 -5.1296 -4.7432 -4.7382 2.1075 2.1650 2.6310 2.6558 3.0924 3.0959 3.2660 3.2936 3.3859 3.4006 3.6590 3.6732 3.6885 3.7842 3.8212 3.9204 3.9720 4.0869 4.1958 4.2262 4.4469 4.5052 4.6440 4.6898 4.7424 4.7545 4.7871 4.8587 4.8882 4.8999 5.0491 5.0671 5.4403 5.4677 5.4831 5.5911 6.2285 6.5012 7.0636 7.1611 7.6032 7.6205 10.3248 10.3306 11.5523 11.5887 11.6581 11.7697 12.2167 12.2361 12.3241 12.3245 k = 0.2232 0.2232 0.2232 ( 5217 PWs) bands (ev): -5.1502 -5.1495 -4.7422 -4.7372 2.1328 2.1919 2.6653 2.6886 3.1082 3.1169 3.2731 3.3009 3.3905 3.4058 3.6611 3.6704 3.6836 3.7745 3.8189 3.9066 3.9637 4.0970 4.1929 4.2249 4.4479 4.5067 4.6490 4.6922 4.7467 4.7667 4.8032 4.8587 4.8928 4.9069 5.0570 5.0688 5.4260 5.4676 5.4729 5.5983 6.2731 6.5586 7.0265 7.1154 7.6046 7.6348 10.2506 10.2559 11.4793 11.5056 11.5324 11.6429 12.3250 12.3291 12.3662 12.3851 k = 0.2143 0.2143 0.2143 ( 5217 PWs) bands (ev): -5.1701 -5.1695 -4.7409 -4.7361 2.1593 2.2201 2.6999 2.7215 3.1225 3.1357 3.2811 3.3092 3.3961 3.4120 3.6634 3.6680 3.6793 3.7655 3.8163 3.8924 3.9552 4.1059 4.1906 4.2265 4.4491 4.5064 4.6551 4.6942 4.7508 4.7793 4.8195 4.8583 4.8978 4.9136 5.0646 5.0700 5.4114 5.4529 5.4783 5.6064 6.3157 6.6137 6.9872 7.0689 7.6047 7.6461 10.1696 10.1742 11.4041 11.4058 11.4136 11.5225 12.4030 12.4170 12.4487 12.4894 k = 0.2054 0.2054 0.2054 ( 5224 PWs) bands (ev): -5.1899 -5.1893 -4.7395 -4.7348 2.1869 2.2497 2.7346 2.7544 3.1355 3.1523 3.2899 3.3183 3.4027 3.4190 3.6656 3.6657 3.6758 3.7576 3.8136 3.8781 3.9464 4.1134 4.1892 4.2309 4.4508 4.5041 4.6624 4.6957 4.7542 4.7921 4.8353 4.8577 4.9031 4.9200 5.0707 5.0718 5.3970 5.4392 5.4839 5.6150 6.3560 6.6662 6.9467 7.0226 7.6032 7.6546 10.0831 10.0867 11.2803 11.3090 11.3270 11.4144 12.4700 12.4756 12.5854 12.6214 k = 0.1964 0.1964 0.1964 ( 5230 PWs) bands (ev): -5.2095 -5.2088 -4.7380 -4.7333 2.2155 2.2804 2.7690 2.7868 3.1472 3.1667 3.2995 3.3281 3.4101 3.4267 3.6633 3.6677 3.6732 3.7508 3.8111 3.8641 3.9374 4.1200 4.1889 4.2379 4.4528 4.5000 4.6710 4.6968 4.7567 4.8048 4.8499 4.8569 4.9094 4.9261 5.0710 5.0786 5.3831 5.4268 5.4896 5.6240 6.3935 6.7160 6.9063 6.9781 7.6002 7.6602 9.9924 9.9948 11.1570 11.1940 11.2484 11.3179 12.5412 12.5413 12.7328 12.7671 k = 0.1875 0.1875 0.1875 ( 5227 PWs) bands (ev): -5.2287 -5.2281 -4.7363 -4.7318 2.2451 2.3122 2.8030 2.8186 3.1577 3.1789 3.3100 3.3387 3.4181 3.4350 3.6605 3.6695 3.6715 3.7453 3.8086 3.8507 3.9284 4.1259 4.1898 4.2469 4.4552 4.4945 4.6810 4.6974 4.7582 4.8175 4.8559 4.8622 4.9172 4.9319 5.0708 5.0848 5.3701 5.4161 5.4954 5.6331 6.4280 6.7630 6.8671 6.9367 7.5957 7.6630 9.8982 9.8995 11.0368 11.0751 11.1686 11.2276 12.6140 12.6182 12.8889 12.9223 k = 0.1786 0.1786 0.1786 ( 5221 PWs) bands (ev): -5.2476 -5.2471 -4.7345 -4.7301 2.2755 2.3450 2.8360 2.8495 3.1673 3.1891 3.3216 3.3500 3.4268 3.4437 3.6572 3.6708 3.6708 3.7412 3.8059 3.8384 3.9195 4.1316 4.1920 4.2572 4.4580 4.4877 4.6921 4.6973 4.7585 4.8299 4.8547 4.8714 4.9269 4.9374 5.0700 5.0903 5.3580 5.4072 5.5012 5.6420 6.4588 6.8071 6.8303 6.9000 7.5896 7.6633 9.8015 9.8015 10.9204 10.9569 11.0879 11.1399 12.6934 12.7014 13.0519 13.0846 k = 0.1696 0.1696 0.1696 ( 5215 PWs) bands (ev): -5.2661 -5.2656 -4.7325 -4.7283 2.3067 2.3787 2.8677 2.8790 3.1761 3.1972 3.3342 3.3620 3.4357 3.4523 3.6532 3.6712 3.6715 3.7385 3.8029 3.8276 3.9113 4.1372 4.1953 4.2683 4.4612 4.4799 4.6966 4.7041 4.7577 4.8418 4.8535 4.8772 4.9381 4.9424 5.0689 5.0950 5.3472 5.4003 5.5067 5.6501 6.4854 6.7969 6.8484 6.8695 7.5820 7.6610 9.7015 9.7029 10.8082 10.8418 11.0067 11.0534 12.7794 12.7909 13.2201 13.2523 k = 0.1607 0.1607 0.1607 ( 5215 PWs) bands (ev): -5.2841 -5.2836 -4.7305 -4.7264 2.3386 2.4132 2.8977 2.9069 3.1840 3.2034 3.3480 3.3748 3.4449 3.4606 3.6486 3.6713 3.6728 3.7372 3.7992 3.8187 3.9044 4.1430 4.1998 4.2796 4.4647 4.4713 4.6951 4.7165 4.7559 4.8520 4.8528 4.8801 4.9471 4.9501 5.0674 5.0988 5.3377 5.3955 5.5117 5.6570 6.5076 6.7678 6.8467 6.8867 7.5728 7.6563 9.6000 9.6029 10.7009 10.7310 10.9254 10.9677 12.8719 12.8863 13.3916 13.4234 k = 0.1518 0.1518 0.1518 ( 5215 PWs) bands (ev): -5.3015 -5.3011 -4.7285 -4.7245 2.3710 2.4485 2.9257 2.9327 3.1911 3.2075 3.3629 3.3884 3.4542 3.4681 3.6433 3.6700 3.6756 3.7375 3.7950 3.8122 3.8990 4.1490 4.2054 4.2906 4.4621 4.4685 4.6927 4.7275 4.7550 4.8502 4.8627 4.8805 4.9513 4.9618 5.0660 5.1015 5.3297 5.3928 5.5160 5.6623 6.5252 6.7438 6.8327 6.9222 7.5621 7.6494 9.4976 9.5020 10.5987 10.6252 10.8443 10.8830 12.9708 12.9878 13.5648 13.5961 k = 0.1429 0.1429 0.1429 ( 5227 PWs) bands (ev): -5.3183 -5.3179 -4.7263 -4.7226 2.4039 2.4842 2.9512 2.9561 3.1975 3.2095 3.3790 3.4030 3.4634 3.4745 3.6378 3.6670 3.6796 3.7394 3.7906 3.8083 3.8954 4.1551 4.2118 4.3010 4.4526 4.4724 4.6895 4.7317 4.7600 4.8482 4.8711 4.8788 4.9553 4.9724 5.0651 5.1032 5.3231 5.3920 5.5193 5.6654 6.5392 6.7256 6.8279 6.9550 7.5499 7.6402 9.3946 9.4004 10.5020 10.5250 10.7639 10.7992 13.0758 13.0950 13.7376 13.7685 k = 0.1339 0.1339 0.1339 ( 5224 PWs) bands (ev): -5.3344 -5.3340 -4.7242 -4.7206 2.4372 2.5205 2.9740 2.9770 3.2032 3.2095 3.3960 3.4185 3.4728 3.4796 3.6324 3.6620 3.6851 3.7430 3.7869 3.8075 3.8936 4.1614 4.2190 4.3106 4.4430 4.4762 4.6853 4.7276 4.7729 4.8460 4.8754 4.8776 4.9590 4.9816 5.0653 5.1038 5.3179 5.3930 5.5215 5.6660 6.5510 6.7138 6.8315 6.9853 7.5363 7.6291 9.2915 9.2988 10.4113 10.4309 10.6846 10.7169 13.1867 13.2077 13.9078 13.9382 k = 0.1250 0.1250 0.1250 ( 5224 PWs) bands (ev): -5.3498 -5.3494 -4.7221 -4.7187 2.4708 2.5570 2.9941 2.9951 3.2071 3.2081 3.4135 3.4349 3.4824 3.4830 3.6272 3.6547 3.6919 3.7483 3.7846 3.8097 3.8933 4.1675 4.2267 4.3193 4.4333 4.4798 4.6803 4.7193 4.7892 4.8435 4.8705 4.8821 4.9626 4.9893 5.0673 5.1033 5.3137 5.3952 5.5225 5.6637 6.5629 6.7089 6.8423 7.0132 7.5213 7.6161 9.1886 9.1973 10.3269 10.3433 10.6066 10.6364 13.3033 13.3257 14.0729 14.1027 k = 0.1161 0.1161 0.1161 ( 5218 PWs) bands (ev): -5.3643 -5.3639 -4.7200 -4.7168 2.5047 2.5938 3.0104 3.0113 3.2023 3.2121 3.4305 3.4518 3.4849 3.4926 3.6223 3.6452 3.6999 3.7554 3.7844 3.8152 3.8941 4.1732 4.2348 4.3271 4.4238 4.4828 4.6743 4.7086 4.8071 4.8408 4.8643 4.8844 4.9656 4.9953 5.0717 5.1020 5.3101 5.3983 5.5223 5.6585 6.5768 6.7108 6.8586 7.0390 7.5051 7.6014 9.0863 9.0963 10.2489 10.2625 10.5305 10.5578 13.4253 13.4487 14.2296 14.2586 k = 0.1071 0.1071 0.1071 ( 5218 PWs) bands (ev): -5.3779 -5.3776 -4.7179 -4.7149 2.5386 2.6307 3.0229 3.0259 3.1948 3.2151 3.4459 3.4688 3.4858 3.5042 3.6177 3.6339 3.7091 3.7644 3.7864 3.8239 3.8957 4.1781 4.2432 4.3341 4.4145 4.4850 4.6673 4.6960 4.8249 4.8390 4.8568 4.8850 4.9677 4.9999 5.0792 5.0997 5.3067 5.4017 5.5210 5.6506 6.5942 6.7195 6.8792 7.0629 7.4878 7.5851 8.9850 8.9963 10.1776 10.1887 10.4567 10.4818 13.5524 13.5761 14.3747 14.4025 k = 0.0982 0.0982 0.0982 ( 5218 PWs) bands (ev): -5.3907 -5.3904 -4.7159 -4.7132 2.5726 2.6675 3.0327 3.0381 3.1847 3.2168 3.4586 3.4851 3.4861 3.5177 3.6129 3.6219 3.7192 3.7751 3.7905 3.8357 3.8977 4.1820 4.2516 4.3404 4.4057 4.4862 4.6594 4.6819 4.8306 4.8485 4.8500 4.8845 4.9685 5.0031 5.0900 5.0967 5.3029 5.4048 5.5187 5.6403 6.6157 6.7344 6.9032 7.0854 7.4694 7.5673 8.8851 8.8977 10.1132 10.1222 10.3854 10.4085 13.6840 13.7077 14.5044 14.5304 k = 0.0893 0.0893 0.0893 ( 5230 PWs) bands (ev): -5.4025 -5.4022 -4.7140 -4.7115 2.6066 2.7041 3.0401 3.0482 3.1719 3.2170 3.4682 3.4864 3.4997 3.5328 3.6078 3.6106 3.7302 3.7877 3.7964 3.8505 3.9001 4.1843 4.2600 4.3462 4.3973 4.4859 4.6502 4.6664 4.8272 4.8395 4.8705 4.8834 4.9678 5.0053 5.0931 5.1039 5.2981 5.4071 5.5159 5.6282 6.6414 6.7550 6.9301 7.1067 7.4502 7.5481 8.7873 8.8010 10.0558 10.0631 10.3171 10.3384 13.8197 13.8426 14.6155 14.6391 k = 0.0804 0.0804 0.0804 ( 5230 PWs) bands (ev): -5.4133 -5.4131 -4.7122 -4.7099 2.6406 2.7404 3.0454 3.0565 3.1565 3.2154 3.4750 3.4871 3.5110 3.5487 3.6018 3.6022 3.7418 3.8021 3.8036 3.8678 3.9027 4.1847 4.2683 4.3520 4.3895 4.4843 4.6402 4.6499 4.8229 4.8303 4.8824 4.8924 4.9659 5.0068 5.0893 5.1205 5.2920 5.4081 5.5128 5.6149 6.6710 6.7803 6.9595 7.1271 7.4303 7.5277 8.6921 8.7067 10.0056 10.0116 10.2522 10.2717 13.9587 13.9802 14.7057 14.7264 k = 0.0714 0.0714 0.0714 ( 5224 PWs) bands (ev): -5.4231 -5.4229 -4.7105 -4.7085 2.6744 2.7762 3.0487 3.0634 3.1386 3.2118 3.4798 3.4888 3.5171 3.5643 3.5961 3.5978 3.7538 3.8118 3.8179 3.8874 3.9055 4.1828 4.2765 4.3578 4.3824 4.4813 4.6291 4.6327 4.8182 4.8213 4.8821 4.9150 4.9627 5.0078 5.0856 5.1396 5.2842 5.4075 5.5096 5.6009 6.7036 6.8091 6.9913 7.1471 7.4099 7.5063 8.6003 8.6156 9.9627 9.9676 10.1910 10.2090 14.1003 14.1194 14.7749 14.7926 k = 0.0625 0.0625 0.0625 ( 5221 PWs) bands (ev): -5.4318 -5.4316 -4.7090 -4.7072 2.7080 2.8113 3.0503 3.0693 3.1184 3.2059 3.4831 3.4913 3.5172 3.5787 3.5893 3.5993 3.7660 3.8201 3.8348 3.9086 3.9087 4.1784 4.2845 4.3640 4.3760 4.4767 4.6153 4.6172 4.8127 4.8133 4.8827 4.9375 4.9585 5.0086 5.0825 5.1604 5.2745 5.4048 5.5069 5.5868 6.7384 6.8400 7.0252 7.1669 7.3895 7.4840 8.5129 8.5286 9.9269 9.9313 10.1339 10.1504 14.2433 14.2588 14.8248 14.8398 k = 0.0536 0.0536 0.0536 ( 5233 PWs) bands (ev): -5.4394 -5.4392 -4.7076 -4.7061 2.7413 2.8454 3.0504 3.0745 3.0961 3.1976 3.4853 3.4949 3.5132 3.5820 3.5915 3.6045 3.7780 3.8279 3.8521 3.9118 3.9313 4.1712 4.2923 4.3701 4.3706 4.4708 4.5981 4.6045 4.8050 4.8084 4.8844 4.9535 4.9594 5.0092 5.0806 5.1825 5.2625 5.3997 5.5047 5.5731 6.7741 6.8711 7.0609 7.1868 7.3694 7.4609 8.4309 8.4467 9.8985 9.9026 10.0813 10.0963 14.3864 14.3965 14.8588 14.8717 k = 0.0446 0.0446 0.0446 ( 5221 PWs) bands (ev): -5.4458 -5.4457 -4.7064 -4.7051 2.7744 2.8784 3.0490 3.0721 3.0795 3.1868 3.4867 3.4994 3.5077 3.5743 3.6025 3.6112 3.7898 3.8346 3.8692 3.9155 3.9550 4.1612 4.3001 4.3649 4.3778 4.4640 4.5820 4.5915 4.7986 4.8036 4.8872 4.9478 4.9794 5.0100 5.0812 5.2056 5.2485 5.3923 5.5033 5.5602 6.8098 6.9003 7.0977 7.2070 7.3501 7.4373 8.3561 8.3713 9.8772 9.8814 10.0334 10.0471 14.5276 14.5297 14.8808 14.8922 k = 0.0357 0.0357 0.0357 ( 5215 PWs) bands (ev): -5.4512 -5.4511 -4.7054 -4.7043 2.8071 2.9098 3.0459 3.0466 3.0845 3.1739 3.4875 3.5022 3.5049 3.5663 3.6115 3.6176 3.8009 3.8393 3.8851 3.9193 3.9792 4.1484 4.3078 4.3599 4.3856 4.4562 4.5677 4.5787 4.7934 4.7991 4.8911 4.9416 4.9958 5.0108 5.0860 5.2290 5.2324 5.3822 5.5030 5.5483 6.8441 6.9252 7.1349 7.2278 7.3319 7.4133 8.2901 8.3042 9.8632 9.8677 9.9906 10.0030 14.6545 14.6642 14.8944 14.9048 k = 0.0268 0.0268 0.0268 ( 5209 PWs) bands (ev): -5.4553 -5.4552 -4.7045 -4.7037 2.8393 2.9392 3.0197 3.0410 3.0902 3.1594 3.4880 3.4976 3.5112 3.5581 3.6186 3.6228 3.8112 3.8417 3.8992 3.9228 4.0036 4.1331 4.3155 4.3550 4.3938 4.4477 4.5561 4.5667 4.7898 4.7951 4.8960 4.9350 5.0069 5.0119 5.0964 5.2144 5.2524 5.3696 5.5038 5.5377 6.8761 6.9435 7.1711 7.2492 7.3148 7.3891 8.2355 8.2474 9.8561 9.8612 9.9531 9.9643 14.7654 14.7925 14.9022 14.9131 k = 0.0179 0.0179 0.0179 ( 5215 PWs) bands (ev): -5.4583 -5.4582 -4.7039 -4.7034 2.8711 2.9658 2.9917 3.0335 3.0970 3.1442 3.4884 3.4940 3.5181 3.5498 3.6237 3.6265 3.8204 3.8415 3.9106 3.9254 4.0278 4.1153 4.3231 4.3498 4.4024 4.4388 4.5480 4.5563 4.7876 4.7916 4.9015 4.9281 5.0126 5.0130 5.1122 5.1948 5.2753 5.3546 5.5059 5.5284 6.9044 6.9532 7.2047 7.2712 7.2980 7.3649 8.1946 8.2033 9.8560 9.8618 9.9214 9.9313 14.8537 14.9063 14.9077 14.9219 k = 0.0089 0.0089 0.0089 ( 5197 PWs) bands (ev): -5.4601 -5.4600 -4.7034 -4.7032 2.9023 2.9627 2.9891 3.0229 3.1056 3.1295 3.4890 3.4916 3.5255 3.5415 3.6272 3.6285 3.8283 3.8392 3.9190 3.9261 4.0515 4.0956 4.3306 4.3441 4.4114 4.4298 4.5440 4.5486 4.7869 4.7891 4.9078 4.9213 5.0141 5.0148 5.1316 5.1741 5.2974 5.3374 5.5094 5.5206 6.9278 6.9535 7.2345 7.2803 7.2939 7.3409 8.1699 8.1746 9.8627 9.8694 9.8956 9.9044 14.8985 14.9078 14.9496 15.0043 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4607 -5.4607 -4.7032 -4.7032 2.9329 2.9329 3.0082 3.0082 3.1164 3.1164 3.4900 3.4900 3.5334 3.5334 3.6287 3.6287 3.8347 3.8347 3.9241 3.9241 4.0743 4.0743 4.3376 4.3376 4.4206 4.4206 4.5444 4.5444 4.7875 4.7875 4.9145 4.9145 5.0150 5.0150 5.1527 5.1527 5.3182 5.3182 5.5143 5.5143 6.9447 6.9447 7.2596 7.2596 7.3172 7.3172 8.1631 8.1631 9.8759 9.8759 9.8836 9.8836 14.9068 14.9068 14.9900 14.9900 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4607 -5.4607 -4.7032 -4.7032 2.9329 2.9329 3.0082 3.0082 3.1164 3.1164 3.4900 3.4900 3.5334 3.5334 3.6287 3.6287 3.8347 3.8347 3.9241 3.9241 4.0743 4.0743 4.3376 4.3376 4.4206 4.4206 4.5444 4.5444 4.7875 4.7875 4.9145 4.9145 5.0150 5.0150 5.1527 5.1527 5.3182 5.3182 5.5143 5.5143 6.9447 6.9447 7.2596 7.2596 7.3172 7.3172 8.1631 8.1631 9.8759 9.8759 9.8836 9.8836 14.9068 14.9068 14.9900 14.9900 k = 0.0109-0.0109 0.0000 ( 5203 PWs) bands (ev): -5.4601 -5.4600 -4.7034 -4.7032 2.9285 2.9296 2.9903 3.0300 3.0989 3.1348 3.4876 3.4904 3.5322 3.5324 3.6259 3.6319 3.8298 3.8391 3.9223 3.9253 4.0739 4.0740 4.3298 4.3443 4.4201 4.4202 4.5373 4.5512 4.7765 4.7965 4.9141 4.9143 4.9948 5.0302 5.1438 5.1686 5.3214 5.3217 5.5126 5.5154 6.9359 6.9513 7.2513 7.2605 7.3120 7.3132 8.1722 8.1762 9.8766 9.8808 9.8872 9.8883 14.8603 14.8925 14.9893 15.0033 k = 0.0217-0.0217 0.0000 ( 5205 PWs) bands (ev): -5.4584 -5.4583 -4.7037 -4.7034 2.9139 2.9214 2.9794 3.0506 3.0849 3.1535 3.4829 3.4891 3.5284 3.5300 3.6234 3.6356 3.8249 3.8433 3.9199 3.9259 4.0725 4.0735 4.3210 4.3498 4.4186 4.4195 4.5302 4.5579 4.7644 4.8034 4.9123 4.9143 4.9754 5.0358 5.1452 5.1872 5.3310 5.3331 5.5105 5.5163 6.9251 6.9553 7.2349 7.2496 7.2984 7.3080 8.2024 8.2098 9.8832 9.8890 9.8980 9.9041 14.7851 14.8307 14.9869 15.0064 k = 0.0326-0.0326 0.0000 ( 5209 PWs) bands (ev): -5.4555 -5.4553 -4.7042 -4.7038 2.8912 2.9093 2.9738 3.0546 3.0883 3.1722 3.4758 3.4858 3.5224 3.5269 3.6206 3.6397 3.8199 3.8469 3.9170 3.9261 4.0698 4.0731 4.3113 4.3541 4.4161 4.4189 4.5233 4.5643 4.7515 4.8076 4.9076 4.9148 4.9610 5.0327 5.1536 5.2052 5.3471 5.3531 5.5082 5.5175 6.9118 6.9556 7.2042 7.2282 7.2825 7.3082 8.2506 8.2605 9.8940 9.9014 9.9177 9.9298 14.6937 14.7471 14.9691 14.9966 k = 0.0435-0.0435 0.0000 ( 5215 PWs) bands (ev): -5.4514 -5.4512 -4.7049 -4.7044 2.8642 2.8939 2.9699 3.0424 3.1084 3.1906 3.4661 3.4800 3.5149 3.5237 3.6170 3.6437 3.8150 3.8499 3.9138 3.9261 4.0653 4.0726 4.3010 4.3568 4.4129 4.4188 4.5167 4.5702 4.7386 4.8089 4.8993 4.9157 4.9534 5.0259 5.1629 5.2210 5.3694 5.3811 5.5062 5.5199 6.8947 6.9506 7.1601 7.2028 7.2693 7.3122 8.3130 8.3247 9.9088 9.9181 9.9467 9.9646 14.5902 14.6487 14.9388 14.9753 k = 0.0543-0.0543 0.0000 ( 5219 PWs) bands (ev): -5.4462 -5.4460 -4.7057 -4.7051 2.8350 2.8755 2.9658 3.0285 3.1303 3.2085 3.4540 3.4712 3.5073 3.5205 3.6123 3.6473 3.8104 3.8517 3.9105 3.9260 4.0588 4.0722 4.2907 4.3578 4.4096 4.4194 4.5105 4.5755 4.7262 4.8077 4.8892 4.9170 4.9510 5.0188 5.1701 5.2342 5.3955 5.4141 5.5064 5.5259 6.8716 6.9383 7.1098 7.1785 7.2593 7.3179 8.3861 8.3988 9.9278 9.9391 9.9846 10.0079 14.4773 14.5387 14.8963 14.9425 k = 0.0652-0.0652 0.0000 ( 5221 PWs) bands (ev): -5.4399 -5.4397 -4.7067 -4.7060 2.8045 2.8545 2.9607 3.0149 3.1514 3.2256 3.4398 3.4588 3.5004 3.5175 3.6064 3.6498 3.8063 3.8519 3.9080 3.9258 4.0502 4.0716 4.2808 4.3570 4.4069 4.4205 4.5052 4.5800 4.7148 4.8042 4.8794 4.9186 4.9511 5.0130 5.1753 5.2449 5.4198 5.4457 5.5134 5.5397 6.8402 6.9165 7.0602 7.1601 7.2515 7.3243 8.4672 8.4806 9.9510 9.9643 10.0309 10.0593 14.3572 14.4197 14.8412 14.8963 k = 0.0761-0.0761 0.0000 ( 5229 PWs) bands (ev): -5.4325 -5.4322 -4.7079 -4.7071 2.7731 2.8312 2.9540 3.0020 3.1711 3.2417 3.4239 3.4434 3.4942 3.5146 3.5993 3.6509 3.8030 3.8499 3.9066 3.9257 4.0397 4.0706 4.2718 4.3547 4.4052 4.4220 4.5007 4.5838 4.7047 4.7993 4.8707 4.9199 4.9518 5.0087 5.1796 5.2538 5.4358 5.4658 5.5364 5.5658 6.7993 6.8825 7.0186 7.1488 7.2454 7.3314 8.5540 8.5680 9.9784 9.9937 10.0851 10.1183 14.2319 14.2943 14.7738 14.8348 k = 0.0870-0.0870 0.0000 ( 5229 PWs) bands (ev): -5.4241 -5.4237 -4.7093 -4.7083 2.7410 2.8060 2.9458 2.9897 3.1889 3.2566 3.4065 3.4257 3.4884 3.5118 3.5913 3.6501 3.8004 3.8457 3.9066 3.9258 4.0277 4.0690 4.2641 4.3515 4.4045 4.4238 4.4975 4.5867 4.6961 4.7936 4.8629 4.9211 4.9521 5.0061 5.1840 5.2614 5.4424 5.4743 5.5748 5.6042 6.7500 6.8351 6.9894 7.1430 7.2412 7.3389 8.6451 8.6597 10.0099 10.0272 10.1467 10.1844 14.1032 14.1646 14.6968 14.7594 k = 0.0978-0.0978 0.0000 ( 5221 PWs) bands (ev): -5.4146 -5.4142 -4.7108 -4.7097 2.7082 2.7791 2.9359 2.9779 3.2042 3.2699 3.3882 3.4065 3.4826 3.5092 3.5826 3.6476 3.7984 3.8398 3.9075 3.9264 4.0150 4.0667 4.2579 4.3482 4.4046 4.4256 4.4955 4.5887 4.6889 4.7876 4.8561 4.9218 4.9516 5.0047 5.1888 5.2681 5.4435 5.4792 5.6198 5.6506 6.6949 6.7781 6.9707 7.1404 7.2391 7.3469 8.7392 8.7545 10.0456 10.0648 10.2151 10.2570 13.9729 14.0328 14.6132 14.6748 k = 0.1087-0.1087 0.0000 ( 5221 PWs) bands (ev): -5.4041 -5.4036 -4.7124 -4.7112 2.6749 2.7508 2.9244 2.9663 3.2163 3.2811 3.3692 3.3867 3.4768 3.5069 3.5737 3.6433 3.7961 3.8329 3.9081 3.9277 4.0024 4.0638 4.2528 4.3451 4.4050 4.4275 4.4947 4.5900 4.6832 4.7816 4.8499 4.9218 4.9499 5.0039 5.1939 5.2739 5.4430 5.4844 5.6671 5.7011 6.6361 6.7161 6.9584 7.1385 7.2397 7.3555 8.8353 8.8513 10.0853 10.1063 10.2898 10.3355 13.8428 13.9009 14.5260 14.5855 k = 0.1196-0.1196 0.0000 ( 5217 PWs) bands (ev): -5.3926 -5.3921 -4.7142 -4.7129 2.6412 2.7213 2.9113 2.9548 3.2243 3.2898 3.3499 3.3675 3.4708 3.5049 3.5651 3.6374 3.7926 3.8264 3.9076 3.9298 3.9913 4.0606 4.2487 4.3427 4.4055 4.4296 4.4950 4.5906 4.6787 4.7756 4.8444 4.9210 4.9475 5.0035 5.1988 5.2786 5.4435 5.4915 5.7151 5.7532 6.5757 6.6526 6.9501 7.1361 7.2434 7.3646 8.9325 8.9493 10.1287 10.1516 10.3703 10.4192 13.7142 13.7706 14.4372 14.4942 k = 0.1304-0.1304 0.0000 ( 5221 PWs) bands (ev): -5.3802 -5.3797 -4.7162 -4.7148 2.6070 2.6908 2.8968 2.9430 3.2269 3.2953 3.3303 3.3510 3.4649 3.5027 3.5574 3.6304 3.7870 3.8208 3.9056 3.9320 3.9829 4.0572 4.2455 4.3409 4.4058 4.4322 4.4963 4.5908 4.6752 4.7696 4.8394 4.9192 4.9445 5.0031 5.2026 5.2815 5.4470 5.5013 5.7627 5.8056 6.5150 6.5893 6.9442 7.1324 7.2500 7.3744 9.0299 9.0475 10.1758 10.2004 10.4562 10.5078 13.5888 13.6434 14.3481 14.4028 k = 0.1413-0.1413 0.0000 ( 5225 PWs) bands (ev): -5.3670 -5.3664 -4.7182 -4.7168 2.5724 2.6593 2.8811 2.9307 3.2231 3.2955 3.3114 3.3394 3.4590 3.5001 3.5513 3.6226 3.7795 3.8162 3.9023 3.9329 3.9786 4.0542 4.2427 4.3396 4.4059 4.4354 4.4982 4.5906 4.6725 4.7638 4.8351 4.9164 4.9412 5.0025 5.2048 5.2821 5.4552 5.5145 5.8091 5.8571 6.4549 6.5276 6.9401 7.1272 7.2591 7.3848 9.1265 9.1450 10.2261 10.2524 10.5471 10.6006 13.4677 13.5208 14.2594 14.3120 k = 0.1522-0.1522 0.0000 ( 5225 PWs) bands (ev): -5.3529 -5.3523 -4.7204 -4.7189 2.5375 2.6271 2.8642 2.9178 3.2131 3.2826 3.3015 3.3328 3.4533 3.4966 3.5471 3.6147 3.7707 3.8120 3.8977 3.9314 3.9792 4.0518 4.2405 4.3386 4.4058 4.4392 4.5008 4.5903 4.6705 4.7582 4.8312 4.9125 4.9378 5.0018 5.2049 5.2800 5.4689 5.5314 5.8537 5.9066 6.3963 6.4687 6.9372 7.1208 7.2703 7.3961 9.2215 9.2408 10.2794 10.3073 10.6424 10.6970 13.3521 13.4038 14.1715 14.2224 k = 0.1630-0.1630 0.0000 ( 5233 PWs) bands (ev): -5.3381 -5.3375 -4.7227 -4.7211 2.5022 2.5941 2.8463 2.9040 3.1982 3.2615 3.2968 3.3289 3.4475 3.4923 3.5441 3.6073 3.7615 3.8079 3.8916 3.9278 3.9839 4.0506 4.2386 4.3377 4.4059 4.4432 4.5039 4.5900 4.6689 4.7527 4.8278 4.9077 4.9344 5.0010 5.2028 5.2752 5.4881 5.5518 5.8954 5.9527 6.3404 6.4144 6.9354 7.1136 7.2829 7.4081 9.3136 9.3340 10.3351 10.3645 10.7419 10.7967 13.2432 13.2939 14.0845 14.1342 k = 0.1739-0.1739 0.0000 ( 5223 PWs) bands (ev): -5.3226 -5.3219 -4.7250 -4.7234 2.4668 2.5607 2.8274 2.8893 3.1806 3.2396 3.2914 3.3255 3.4413 3.4879 3.5413 3.6019 3.7526 3.8039 3.8838 3.9232 3.9914 4.0510 4.2370 4.3369 4.4063 4.4472 4.5077 4.5898 4.6676 4.7477 4.8248 4.9022 4.9310 5.0000 5.1989 5.2683 5.5124 5.5758 5.9328 5.9930 6.2884 6.3669 6.9343 7.1058 7.2965 7.4210 9.4017 9.4236 10.3928 10.4235 10.8453 10.8992 13.1422 13.1919 13.9977 14.0474 k = 0.1848-0.1848 0.0000 ( 5227 PWs) bands (ev): -5.3065 -5.3058 -4.7275 -4.7258 2.4312 2.5268 2.8075 2.8736 3.1620 3.2180 3.2847 3.3210 3.4345 3.4835 3.5375 3.5992 3.7441 3.7998 3.8738 3.9186 4.0003 4.0531 4.2355 4.3362 4.4071 4.4508 4.5121 4.5898 4.6664 4.7429 4.8218 4.8960 4.9276 4.9988 5.1934 5.2599 5.5406 5.6028 5.9632 6.0238 6.2429 6.3305 6.9340 7.0977 7.3107 7.4348 9.4846 9.5085 10.4517 10.4836 10.9522 11.0041 13.0499 13.0989 13.9097 13.9616 k = 0.1957-0.1957 0.0000 ( 5221 PWs) bands (ev): -5.2898 -5.2891 -4.7300 -4.7283 2.3956 2.4927 2.7866 2.8567 3.1433 3.1974 3.2767 3.3152 3.4267 3.4788 3.5332 3.5998 3.7360 3.7960 3.8616 3.9145 4.0096 4.0573 4.2343 4.3356 4.4084 4.4538 4.5174 4.5901 4.6654 4.7387 4.8187 4.8895 4.9243 4.9976 5.1868 5.2507 5.5719 5.6323 5.9823 6.0390 6.2093 6.3109 6.9341 7.0896 7.3253 7.4494 9.5610 9.5875 10.5108 10.5436 11.0623 11.1110 12.9673 13.0158 13.8170 13.8759 k = 0.2065-0.2065 0.0000 ( 5221 PWs) bands (ev): -5.2727 -5.2719 -4.7325 -4.7308 2.3600 2.4583 2.7648 2.8387 3.1254 3.1778 3.2675 3.3079 3.4180 3.4724 3.5300 3.6027 3.7278 3.7924 3.8478 3.9111 4.0187 4.0635 4.2332 4.3351 4.4103 4.4560 4.5234 4.5907 4.6642 4.7349 4.8152 4.8826 4.9209 4.9961 5.1795 5.2411 5.6054 5.6635 5.9847 6.0333 6.1948 6.3119 6.9346 7.0815 7.3401 7.4649 9.6299 9.6594 10.5692 10.6025 11.1754 11.2197 12.8950 12.9435 13.7164 13.7891 k = 0.2174-0.2174 0.0000 ( 5231 PWs) bands (ev): -5.2552 -5.2543 -4.7351 -4.7334 2.3247 2.4239 2.7421 2.8194 3.1086 3.1596 3.2573 3.2994 3.4088 3.4634 3.5295 3.6070 3.7192 3.7885 3.8334 3.9086 4.0270 4.0717 4.2322 4.3348 4.4126 4.4576 4.5299 4.5915 4.6630 4.7315 4.8112 4.8756 4.9174 4.9943 5.1716 5.2316 5.6399 5.6949 5.9709 6.0095 6.2010 6.3304 6.9354 7.0737 7.3548 7.4810 9.6901 9.7231 10.6254 10.6588 11.2909 11.3299 12.8337 12.8824 13.6106 13.6996 k = 0.2283-0.2283 0.0000 ( 5229 PWs) bands (ev): -5.2373 -5.2364 -4.7377 -4.7359 2.2896 2.3896 2.7184 2.7989 3.0935 3.1429 3.2464 3.2899 3.3994 3.4522 3.5318 3.6120 3.7098 3.7828 3.8206 3.9070 4.0345 4.0817 4.2312 4.3349 4.4152 4.4591 4.5369 4.5928 4.6618 4.7286 4.8065 4.8685 4.9139 4.9924 5.1637 5.2226 5.6740 5.7240 5.9488 5.9774 6.2204 6.3599 6.9362 7.0664 7.3695 7.4977 9.7410 9.7776 10.6779 10.7107 11.4084 11.4414 12.7835 12.8332 13.5068 13.6068 k = 0.2391-0.2391 0.0000 ( 5225 PWs) bands (ev): -5.2192 -5.2183 -4.7403 -4.7385 2.2551 2.3556 2.6938 2.7771 3.0801 3.1279 3.2347 3.2797 3.3899 3.4395 3.5361 3.6171 3.6997 3.7729 3.8126 3.9064 4.0411 4.0930 4.2301 4.3353 4.4177 4.4611 4.5438 4.5943 4.6606 4.7260 4.8009 4.8616 4.9104 4.9903 5.1557 5.2142 5.7050 5.7453 5.9283 5.9467 6.2461 6.3952 6.9370 7.0598 7.3840 7.5149 9.7820 9.8221 10.7247 10.7563 11.5270 11.5540 12.7444 12.7958 13.4108 13.5163 k = 0.2500-0.2500 0.0000 ( 5235 PWs) bands (ev): -5.2010 -5.2001 -4.7428 -4.7411 2.2212 2.3220 2.6684 2.7541 3.0686 3.1145 3.2225 3.2691 3.3806 3.4263 3.5412 3.6214 3.6893 3.7582 3.8099 3.9069 4.0469 4.1049 4.2289 4.3361 4.4195 4.4640 4.5504 4.5961 4.6593 4.7237 4.7943 4.8547 4.9069 4.9878 5.1479 5.2065 5.7265 5.7514 5.9118 5.9348 6.2742 6.4332 6.9374 7.0541 7.3983 7.5324 9.8130 9.8561 10.7637 10.7935 11.6452 11.6681 12.7158 12.7701 13.3266 13.4351 k = 0.2609-0.2609 0.0000 ( 5221 PWs) bands (ev): -5.1828 -5.1818 -4.7453 -4.7435 2.1881 2.2890 2.6421 2.7300 3.0589 3.1028 3.2100 3.2585 3.3717 3.4133 3.5462 3.6240 3.6804 3.7410 3.8108 3.9084 4.0523 4.1172 4.2275 4.3375 4.4205 4.4686 4.5565 4.5982 4.6582 4.7217 4.7869 4.8482 4.9035 4.9853 5.1404 5.1997 5.7246 5.7443 5.9056 5.9506 6.3033 6.4726 6.9373 7.0497 7.4123 7.5501 9.8341 9.8797 10.7928 10.8201 11.7610 11.7838 12.6974 12.7555 13.2568 13.3671 k = 0.2717-0.2717 0.0000 ( 5221 PWs) bands (ev): -5.1646 -5.1636 -4.7476 -4.7459 2.1559 2.2567 2.6151 2.7048 3.0511 3.0927 3.1973 3.2481 3.3632 3.4007 3.5496 3.6236 3.6751 3.7229 3.8138 3.9108 4.0572 4.1293 4.2257 4.3393 4.4207 4.4746 4.5616 4.6006 4.6572 4.7197 4.7784 4.8419 4.9000 4.9824 5.1332 5.1937 5.6989 5.7262 5.9204 5.9822 6.3325 6.5126 6.9366 7.0465 7.4260 7.5677 9.8459 9.8932 10.8097 10.8342 11.8728 11.9005 12.6886 12.7510 13.2030 13.3135 k = 0.2826-0.2826 0.0000 ( 5213 PWs) bands (ev): -5.1465 -5.1456 -4.7499 -4.7482 2.1248 2.2253 2.5874 2.6786 3.0450 3.0842 3.1846 3.2381 3.3552 3.3888 3.5497 3.6206 3.6745 3.7052 3.8180 3.9140 4.0617 4.1411 4.2235 4.3415 4.4203 4.4820 4.5657 4.6032 4.6565 4.7177 4.7693 4.8359 4.8966 4.9795 5.1263 5.1885 5.6645 5.6968 5.9502 6.0216 6.3614 6.5529 6.9352 7.0450 7.4394 7.5851 9.8491 9.8972 10.8126 10.8344 11.9799 12.0156 12.6894 12.7556 13.1651 13.2713 k = 0.2935-0.2935 0.0000 ( 5221 PWs) bands (ev): -5.1288 -5.1278 -4.7520 -4.7504 2.0949 2.1949 2.5591 2.6516 3.0405 3.0770 3.1722 3.2287 3.3477 3.3777 3.5448 3.6174 3.6763 3.6898 3.8231 3.9177 4.0659 4.1522 4.2207 4.3441 4.4198 4.4903 4.5685 4.6059 4.6561 4.7156 4.7597 4.8299 4.8933 4.9763 5.1197 5.1838 5.6269 5.6618 5.9874 6.0649 6.3900 6.5932 6.9329 7.0452 7.4523 7.6021 9.8446 9.8928 10.8002 10.8204 12.0810 12.1258 12.7000 12.7681 13.1402 13.2323 k = 0.3043-0.3043 0.0000 ( 5217 PWs) bands (ev): -5.1114 -5.1104 -4.7539 -4.7523 2.0664 2.1656 2.5305 2.6238 3.0375 3.0710 3.1604 3.2200 3.3409 3.3675 3.5347 3.6146 3.6704 3.6871 3.8290 3.9219 4.0698 4.1625 4.2176 4.3471 4.4197 4.4992 4.5700 4.6086 4.6562 4.7134 4.7499 4.8241 4.8902 4.9731 5.1133 5.1798 5.5883 5.6249 6.0280 6.1100 6.4182 6.6335 6.9300 7.0472 7.4647 7.6187 9.8337 9.8813 10.7724 10.7925 12.1739 12.2272 12.7216 12.7875 13.1228 13.1897 k = 0.3152-0.3152 0.0000 ( 5217 PWs) bands (ev): -5.0945 -5.0935 -4.7556 -4.7541 2.0394 2.1377 2.5016 2.5954 3.0356 3.0660 3.1496 3.2123 3.3345 3.3582 3.5211 3.6096 3.6621 3.6929 3.8354 3.9263 4.0733 4.1715 4.2142 4.3501 4.4202 4.5083 4.5703 4.6111 4.6568 4.7107 4.7405 4.8182 4.8872 4.9698 5.1070 5.1761 5.5497 5.5878 6.0704 6.1558 6.4461 6.6735 6.9267 7.0511 7.4765 7.6345 9.8174 9.8637 10.7300 10.7517 12.2559 12.3147 12.7557 12.8118 13.1060 13.1469 k = 0.3261-0.3261 0.0000 ( 5217 PWs) bands (ev): -5.0782 -5.0772 -4.7570 -4.7556 2.0141 2.1110 2.4727 2.5666 3.0346 3.0618 3.1399 3.2055 3.3288 3.3498 3.5057 3.5995 3.6600 3.7000 3.8424 3.9309 4.0766 4.1787 4.2113 4.3531 4.4217 4.5172 4.5694 4.6132 4.6580 4.7075 4.7319 4.8124 4.8845 4.9665 5.1007 5.1728 5.5117 5.5513 6.1133 6.2015 6.4736 6.7130 6.9235 7.0569 7.4877 7.6495 9.7969 9.8414 10.6753 10.6995 12.3241 12.3835 12.8029 12.8364 13.0811 13.1203 k = 0.3370-0.3370 0.0000 ( 5221 PWs) bands (ev): -5.0625 -5.0615 -4.7582 -4.7569 1.9905 2.0858 2.4441 2.5376 3.0341 3.0582 3.1316 3.1997 3.3236 3.3424 3.4899 3.5853 3.6632 3.7073 3.8500 3.9354 4.0796 4.1824 4.2104 4.3558 4.4243 4.5256 4.5677 4.6149 4.6596 4.7032 4.7246 4.8066 4.8818 4.9633 5.0942 5.1697 5.4746 5.5160 6.1563 6.2463 6.5008 6.7513 6.9213 7.0647 7.4982 7.6636 9.7732 9.8154 10.6108 10.6378 12.3770 12.4314 12.8456 12.8628 13.0519 13.1265 k = 0.3478-0.3478 0.0000 ( 5223 PWs) bands (ev): -5.0477 -5.0467 -4.7591 -4.7579 1.9687 2.0620 2.4158 2.5084 3.0335 3.0555 3.1250 3.1949 3.3190 3.3360 3.4746 3.5693 3.6690 3.7144 3.8580 3.9399 4.0821 4.1812 4.2131 4.3581 4.4283 4.5330 4.5655 4.6160 4.6617 4.6978 4.7191 4.8009 4.8792 4.9604 5.0875 5.1667 5.4388 5.4823 6.1989 6.2896 6.5276 6.7869 6.9215 7.0747 7.5079 7.6765 9.7472 9.7869 10.5390 10.5687 12.4148 12.4604 12.8436 12.8948 13.0546 13.1649 k = 0.3587-0.3587 0.0000 ( 5231 PWs) bands (ev): -5.0337 -5.0327 -4.7597 -4.7585 1.9488 2.0397 2.3883 2.4794 3.0321 3.0537 3.1200 3.1911 3.3150 3.3306 3.4602 3.5528 3.6759 3.7210 3.8666 3.9443 4.0843 4.1761 4.2185 4.3599 4.4334 4.5387 4.5637 4.6165 4.6640 4.6919 4.7149 4.7953 4.8765 4.9577 5.0804 5.1637 5.4043 5.4502 6.2406 6.3309 6.5541 6.8168 6.9272 7.0869 7.5168 7.6882 9.7197 9.7567 10.4627 10.4944 12.4393 12.4747 12.8233 12.8820 13.1149 13.2297 k = 0.3696-0.3696 0.0000 ( 5237 PWs) bands (ev): -5.0207 -5.0198 -4.7600 -4.7589 1.9308 2.0189 2.3617 2.4507 3.0298 3.0528 3.1168 3.1881 3.3116 3.3263 3.4473 3.5364 3.6831 3.7270 3.8756 3.9485 4.0859 4.1690 4.2251 4.3613 4.4396 4.5414 4.5635 4.6167 4.6660 4.6862 4.7117 4.7903 4.8733 4.9554 5.0729 5.1607 5.3718 5.4203 6.2810 6.3698 6.5800 6.8367 6.9428 7.1018 7.5249 7.6985 9.6915 9.7254 10.3839 10.4171 12.4528 12.4787 12.7937 12.8477 13.2045 13.3116 k = 0.3804-0.3804 0.0000 ( 5249 PWs) bands (ev): -5.0088 -5.0078 -4.7599 -4.7589 1.9149 1.9996 2.3363 2.4226 3.0267 3.0523 3.1152 3.1858 3.3089 3.3230 3.4360 3.5206 3.6902 3.7323 3.8850 3.9525 4.0868 4.1606 4.2322 4.3623 4.4467 4.5407 4.5655 4.6166 4.6668 4.6820 4.7087 4.7858 4.8696 4.9535 5.0648 5.1574 5.3414 5.3925 6.3199 6.4057 6.6051 6.8453 6.9689 7.1193 7.5322 7.7072 9.6630 9.6938 10.3050 10.3389 12.4576 12.4753 12.7608 12.8092 13.3033 13.4028 k = 0.3913-0.3913 0.0000 ( 5250 PWs) bands (ev): -4.9979 -4.9970 -4.7596 -4.7587 1.9010 1.9817 2.3125 2.3952 3.0234 3.0516 3.1152 3.1840 3.3070 3.3208 3.4264 3.5056 3.6970 3.7368 3.8949 3.9563 4.0870 4.1516 4.2397 4.3628 4.4544 4.5380 4.5686 4.6166 4.6656 4.6804 4.7056 4.7823 4.8653 4.9519 5.0566 5.1536 5.3137 5.3670 6.3569 6.4384 6.6293 6.8465 7.0016 7.1398 7.5388 7.7142 9.6347 9.6621 10.2277 10.2616 12.4556 12.4671 12.7280 12.7715 13.4046 13.4983 k = 0.4022-0.4022 0.0000 ( 5238 PWs) bands (ev): -4.9881 -4.9872 -4.7590 -4.7582 1.8893 1.9653 2.2906 2.3689 3.0201 3.0502 3.1168 3.1824 3.3058 3.3195 3.4187 3.4916 3.7033 3.7404 3.9050 3.9600 4.0864 4.1424 4.2475 4.3630 4.4624 4.5347 4.5716 4.6168 4.6627 4.6809 4.7023 4.7799 4.8604 4.9504 5.0484 5.1492 5.2891 5.3439 6.3918 6.4677 6.6522 6.8439 7.0369 7.1631 7.5449 7.7193 9.6069 9.6310 10.1538 10.1870 12.4479 12.4561 12.6971 12.7363 13.5050 13.5944 k = 0.4130-0.4130 0.0000 ( 5234 PWs) bands (ev): -4.9794 -4.9787 -4.7581 -4.7574 1.8796 1.9502 2.2708 2.3438 3.0172 3.0481 3.1194 3.1807 3.3053 3.3190 3.4127 3.4786 3.7090 3.7432 3.9152 3.9636 4.0849 4.1330 4.2556 4.3626 4.4704 4.5315 4.5740 4.6174 4.6593 4.6821 4.6986 4.7783 4.8551 4.9484 5.0410 5.1436 5.2681 5.3232 6.4241 6.4934 6.6736 6.8394 7.0724 7.1885 7.5508 7.7223 9.5798 9.6006 10.0849 10.1165 12.4358 12.4436 12.6693 12.7044 13.6022 13.6878 k = 0.4239-0.4239 0.0000 ( 5228 PWs) bands (ev): -4.9719 -4.9712 -4.7571 -4.7565 1.8719 1.9363 2.2534 2.3202 3.0149 3.0452 3.1231 3.1788 3.3054 3.3191 3.4085 3.4669 3.7140 3.7451 3.9255 3.9670 4.0825 4.1236 4.2641 4.3616 4.4782 4.5288 4.5759 4.6183 4.6563 4.6827 4.6953 4.7771 4.8501 4.9452 5.0350 5.1365 5.2511 5.3048 6.4538 6.5156 6.6931 6.8339 7.1070 7.2151 7.5569 7.7229 9.5538 9.5712 10.0223 10.0516 12.4212 12.4300 12.6454 12.6764 13.6944 13.7760 k = 0.4348-0.4348 0.0000 ( 5224 PWs) bands (ev): -4.9655 -4.9649 -4.7560 -4.7554 1.8663 1.9236 2.2387 2.2984 3.0133 3.0417 3.1273 3.1766 3.3060 3.3195 3.4060 3.4564 3.7185 3.7461 3.9355 3.9702 4.0795 4.1143 4.2730 4.3597 4.4853 4.5270 4.5776 4.6192 4.6538 4.6814 4.6939 4.7752 4.8463 4.9402 5.0313 5.1277 5.2385 5.2886 6.4805 6.5343 6.7108 6.8277 7.1403 7.2410 7.5638 7.7209 9.5292 9.5434 9.9672 9.9935 12.4062 12.4156 12.6255 12.6522 13.7800 13.8563 k = 0.4457-0.4457 0.0000 ( 5240 PWs) bands (ev): -4.9602 -4.9597 -4.7548 -4.7544 1.8625 1.9120 2.2268 2.2784 3.0123 3.0378 3.1319 3.1739 3.3070 3.3199 3.4049 3.4471 3.7225 3.7462 3.9451 3.9732 4.0761 4.1053 4.2820 4.3567 4.4916 4.5255 4.5796 4.6196 4.6519 4.6775 4.6953 4.7715 4.8450 4.9328 5.0304 5.1173 5.2300 5.2744 6.5040 6.5493 6.7265 6.8211 7.1718 7.2643 7.5724 7.7161 9.5064 9.5176 9.9204 9.9430 12.3919 12.4012 12.6095 12.6318 13.8573 13.9266 k = 0.4565-0.4565 0.0000 ( 5246 PWs) bands (ev): -4.9559 -4.9555 -4.7537 -4.7534 1.8607 1.9015 2.2180 2.2606 3.0121 3.0337 3.1368 3.1709 3.3084 3.3200 3.4052 3.4391 3.7261 3.7456 3.9540 3.9758 4.0729 4.0967 4.2913 4.3529 4.4972 4.5244 4.5824 4.6191 4.6509 4.6726 4.6988 4.7655 4.8468 4.9235 5.0324 5.1059 5.2251 5.2622 6.5244 6.5608 6.7405 6.8142 7.2013 7.2827 7.5833 7.7084 9.4862 9.4947 9.8825 9.9010 12.3793 12.3877 12.5973 12.6151 13.9248 13.9847 k = 0.4674-0.4674 0.0000 ( 5244 PWs) bands (ev): -4.9526 -4.9523 -4.7528 -4.7526 1.8607 1.8920 2.2124 2.2451 3.0128 3.0296 3.1416 3.1676 3.3101 3.3197 3.4068 3.4322 3.7294 3.7444 3.9621 3.9779 4.0703 4.0887 4.3007 4.3479 4.5021 4.5229 4.5864 4.6172 4.6509 4.6677 4.7039 4.7573 4.8516 4.9128 5.0369 5.0940 5.2232 5.2518 6.5413 6.5688 6.7529 6.8070 7.2283 7.2947 7.5971 7.6977 9.4692 9.4753 9.8536 9.8677 12.3691 12.3759 12.5886 12.6019 13.9813 14.0292 k = 0.4783-0.4783 0.0000 ( 5236 PWs) bands (ev): -4.9503 -4.9501 -4.7521 -4.7519 1.8624 1.8837 2.2101 2.2323 3.0141 3.0256 3.1465 3.1639 3.3120 3.3189 3.4093 3.4262 3.7324 3.7427 3.9689 3.9792 4.0690 4.0816 4.3099 4.3419 4.5066 4.5209 4.5915 4.6139 4.6519 4.6632 4.7106 4.7477 4.8590 4.9014 5.0434 5.0824 5.2237 5.2430 6.5548 6.5732 6.7640 6.7995 7.2521 7.2994 7.6135 7.6841 9.4565 9.4604 9.8338 9.8433 12.3619 12.3666 12.5831 12.5920 14.0254 14.0589 k = 0.4891-0.4891 0.0000 ( 5244 PWs) bands (ev): -4.9489 -4.9488 -4.7516 -4.7515 1.8657 1.8764 2.2110 2.2222 3.0161 3.0220 3.1511 3.1599 3.3139 3.3175 3.4126 3.4210 3.7353 3.7404 3.9741 3.9792 4.0693 4.0758 4.3188 4.3350 4.5108 4.5180 4.5974 4.6091 4.6536 4.6593 4.7186 4.7376 4.8681 4.8897 5.0514 5.0712 5.2261 5.2358 6.5648 6.5740 6.7740 6.7916 7.2721 7.2966 7.6316 7.6681 9.4488 9.4508 9.8230 9.8277 12.3579 12.3603 12.5808 12.5852 14.0559 14.0732 k = 0.5000-0.5000 0.0000 ( 5248 PWs) bands (ev): -4.9484 -4.9484 -4.7514 -4.7514 1.8704 1.8704 2.2150 2.2150 3.0188 3.0188 3.1556 3.1556 3.3158 3.3158 3.4165 3.4165 3.7380 3.7380 3.9775 3.9775 4.0715 4.0715 4.3272 4.3272 4.5146 4.5146 4.6034 4.6034 4.6561 4.6561 4.7277 4.7277 4.8785 4.8785 5.0607 5.0607 5.2302 5.2302 6.5712 6.5712 6.7831 6.7831 7.2872 7.2872 7.6502 7.6502 9.4468 9.4468 9.8210 9.8210 12.3574 12.3574 12.5815 12.5815 14.0721 14.0721 k = 0.5000-0.5000 0.0000 ( 5248 PWs) bands (ev): -4.9484 -4.9484 -4.7514 -4.7514 1.8704 1.8704 2.2150 2.2150 3.0188 3.0188 3.1556 3.1556 3.3158 3.3158 3.4165 3.4165 3.7380 3.7380 3.9775 3.9775 4.0715 4.0715 4.3272 4.3272 4.5146 4.5146 4.6034 4.6034 4.6561 4.6561 4.7277 4.7277 4.8785 4.8785 5.0607 5.0607 5.2302 5.2302 6.5712 6.5712 6.7831 6.7831 7.2872 7.2872 7.6502 7.6502 9.4468 9.4468 9.8210 9.8210 12.3574 12.3574 12.5815 12.5815 14.0721 14.0721 k = 0.5000-0.5000-0.0152 ( 5248 PWs) bands (ev): -4.9481 -4.9480 -4.7514 -4.7513 1.8695 1.8716 2.2146 2.2152 3.0159 3.0203 3.1531 3.1589 3.3140 3.3183 3.4156 3.4181 3.7361 3.7405 3.9742 3.9804 4.0671 4.0757 4.3199 4.3349 4.5077 4.5207 4.5985 4.6088 4.6503 4.6618 4.7206 4.7362 4.8737 4.8829 5.0577 5.0633 5.2292 5.2306 6.5576 6.5754 6.7685 6.7894 7.2750 7.2940 7.6428 7.6543 9.4519 9.4554 9.8243 9.8345 12.3558 12.3597 12.5791 12.5802 14.0701 14.0736 k = 0.5000-0.5000-0.0303 ( 5240 PWs) bands (ev): -4.9471 -4.9468 -4.7511 -4.7510 1.8689 1.8730 2.2139 2.2151 3.0115 3.0203 3.1514 3.1629 3.3127 3.3214 3.4156 3.4206 3.7350 3.7437 3.9703 3.9827 4.0627 4.0795 4.3132 4.3429 4.5002 4.5256 4.5942 4.6142 4.6447 4.6675 4.7153 4.7460 4.8688 4.8870 5.0543 5.0655 5.2277 5.2304 6.5352 6.5701 6.7460 6.7868 7.2580 7.2949 7.6320 7.6549 9.4704 9.4774 9.8442 9.8645 12.3551 12.3628 12.5731 12.5753 14.0675 14.0746 k = 0.5000-0.5000-0.0455 ( 5240 PWs) bands (ev): -4.9453 -4.9449 -4.7507 -4.7505 1.8686 1.8748 2.2129 2.2147 3.0057 3.0186 3.1503 3.1678 3.3120 3.3252 3.4165 3.4237 3.7345 3.7474 3.9659 3.9846 4.0584 4.0828 4.3072 4.3511 4.4926 4.5291 4.5906 4.6186 4.6399 4.6727 4.7123 4.7565 4.8638 4.8907 5.0506 5.0672 5.2257 5.2298 6.5046 6.5553 6.7163 6.7754 7.2371 7.2900 7.6179 7.6519 9.5021 9.5124 9.8803 9.9099 12.3554 12.3667 12.5638 12.5670 14.0645 14.0751 k = 0.5000-0.5000-0.0606 ( 5240 PWs) bands (ev): -4.9429 -4.9424 -4.7501 -4.7498 1.8685 1.8769 2.2116 2.2140 2.9983 3.0149 3.1499 3.1735 3.3120 3.3300 3.4186 3.4276 3.7347 3.7518 3.9611 3.9859 4.0546 4.0855 4.3018 4.3592 4.4851 4.5310 4.5878 4.6194 4.6380 4.6771 4.7121 4.7676 4.8589 4.8939 5.0466 5.0683 5.2232 5.2286 6.4668 6.5313 6.6806 6.7553 7.2132 7.2795 7.6005 7.6450 9.5465 9.5599 9.9315 9.9697 12.3568 12.3715 12.5515 12.5557 14.0610 14.0750 k = 0.5000-0.5000-0.0758 ( 5232 PWs) bands (ev): -4.9397 -4.9391 -4.7494 -4.7490 1.8688 1.8793 2.2101 2.2131 2.9890 3.0087 3.1503 3.1802 3.3128 3.3358 3.4219 3.4324 3.7357 3.7569 3.9561 3.9868 4.0512 4.0879 4.2972 4.3672 4.4781 4.5314 4.5859 4.6153 4.6400 4.6802 4.7151 4.7787 4.8546 4.8967 5.0424 5.0690 5.2203 5.2269 6.4226 6.4986 6.6399 6.7273 7.1872 7.2639 7.5797 7.6343 9.6027 9.6190 9.9964 10.0423 12.3596 12.3773 12.5368 12.5421 14.0570 14.0745 k = 0.5000-0.5000-0.0909 ( 5224 PWs) bands (ev): -4.9359 -4.9352 -4.7485 -4.7480 1.8694 1.8820 2.2083 2.2118 2.9776 2.9997 3.1515 3.1879 3.3145 3.3427 3.4265 3.4382 3.7375 3.7626 3.9509 3.9874 4.0484 4.0900 4.2934 4.3747 4.4718 4.5303 4.5846 4.6087 4.6434 4.6822 4.7208 4.7891 4.8515 4.8991 5.0380 5.0690 5.2170 5.2247 6.3727 6.4575 6.5959 6.6923 7.1596 7.2435 7.5555 7.6196 9.6701 9.6889 10.0736 10.1264 12.3640 12.3842 12.5203 12.5269 14.0526 14.0737 k = 0.5000-0.5000-0.1061 ( 5232 PWs) bands (ev): -4.9315 -4.9307 -4.7474 -4.7469 1.8703 1.8851 2.2063 2.2103 2.9639 2.9874 3.1536 3.1967 3.3173 3.3509 3.4324 3.4452 3.7399 3.7688 3.9458 3.9876 4.0459 4.0920 4.2901 4.3815 4.4663 4.5278 4.5837 4.6013 4.6465 4.6834 4.7280 4.7977 4.8506 4.9012 5.0335 5.0684 5.2133 5.2221 6.3179 6.4086 6.5501 6.6517 7.1307 7.2189 7.5279 7.6008 9.7476 9.7685 10.1615 10.2202 12.3700 12.3922 12.5026 12.5108 14.0479 14.0727 k = 0.5000-0.5000-0.1212 ( 5224 PWs) bands (ev): -4.9265 -4.9255 -4.7462 -4.7456 1.8715 1.8885 2.2041 2.2085 2.9476 2.9715 3.1568 3.2065 3.3213 3.3605 3.4397 3.4535 3.7432 3.7757 3.9410 3.9877 4.0438 4.0942 4.2876 4.3875 4.4620 4.5243 4.5825 4.5946 4.6488 4.6845 4.7356 4.8037 4.8530 4.9032 5.0289 5.0672 5.2095 5.2193 6.2589 6.3524 6.5041 6.6073 7.1007 7.1906 7.4970 7.5782 9.8341 9.8568 10.2584 10.3224 12.3777 12.4010 12.4848 12.4953 14.0428 14.0716 k = 0.5000-0.5000-0.1364 ( 5224 PWs) bands (ev): -4.9209 -4.9199 -4.7449 -4.7443 1.8730 1.8922 2.2016 2.2065 2.9286 2.9520 3.1613 3.2174 3.3269 3.3714 3.4484 3.4632 3.7470 3.7830 3.9369 3.9878 4.0420 4.0968 4.2854 4.3921 4.4590 4.5198 4.5784 4.5910 4.6502 4.6856 4.7421 4.8069 4.8586 4.9053 5.0243 5.0653 5.2054 5.2161 6.1961 6.2900 6.4588 6.5607 7.0693 7.1589 7.4630 7.5518 9.9288 9.9527 10.3630 10.4313 12.3860 12.4093 12.4685 12.4826 14.0374 14.0707 k = 0.5000-0.5000-0.1515 ( 5216 PWs) bands (ev): -4.9148 -4.9137 -4.7434 -4.7427 1.8748 1.8963 2.1989 2.2042 2.9067 2.9289 3.1670 3.2294 3.3339 3.3837 3.4585 3.4744 3.7515 3.7905 3.9338 3.9881 4.0403 4.1001 4.2837 4.3953 4.4574 4.5146 4.5716 4.5908 4.6508 4.6866 4.7469 4.8089 4.8660 4.9079 5.0199 5.0628 5.2013 5.2130 6.1302 6.2223 6.4149 6.5135 7.0366 7.1244 7.4259 7.5218 10.0304 10.0553 10.4736 10.5456 12.3924 12.4130 12.4580 12.4769 14.0318 14.0702 k = 0.5000-0.5000-0.1667 ( 5196 PWs) bands (ev): -4.9083 -4.9070 -4.7418 -4.7411 1.8771 1.9008 2.1960 2.2017 2.8820 2.9025 3.1742 3.2425 3.3426 3.3972 3.4699 3.4871 3.7564 3.7980 3.9320 3.9888 4.0389 4.1040 4.2822 4.3969 4.4572 4.5087 4.5643 4.5920 4.6506 4.6875 4.7490 4.8110 4.8735 4.9113 5.0155 5.0596 5.1971 5.2098 6.0616 6.1509 6.3731 6.4670 7.0026 7.0875 7.3862 7.4884 10.1380 10.1634 10.5889 10.6639 12.3920 12.4071 12.4605 12.4827 14.0262 14.0703 k = 0.5000-0.5000-0.1818 ( 5220 PWs) bands (ev): -4.9013 -4.9000 -4.7402 -4.7394 1.8796 1.9057 2.1928 2.1990 2.8543 2.8734 3.1826 3.2565 3.3527 3.4117 3.4826 3.5012 3.7617 3.8049 3.9315 3.9900 4.0374 4.1085 4.2806 4.3969 4.4576 4.5021 4.5573 4.5936 4.6493 4.6881 4.7484 4.8135 4.8797 4.9158 5.0110 5.0555 5.1925 5.2067 5.9909 6.0765 6.3334 6.4221 6.9672 7.0484 7.3439 7.4518 10.2506 10.2761 10.7075 10.7847 12.3834 12.3946 12.4766 12.4992 14.0205 14.0712 k = 0.5000-0.5000-0.1970 ( 5232 PWs) bands (ev): -4.8940 -4.8927 -4.7385 -4.7377 1.8826 1.9109 2.1894 2.1962 2.8235 2.8422 3.1923 3.2714 3.3643 3.4272 3.4965 3.5167 3.7673 3.8112 3.9329 3.9920 4.0363 4.1137 4.2791 4.3958 4.4581 4.4953 4.5515 4.5955 4.6473 4.6884 4.7457 4.8164 4.8841 4.9212 5.0066 5.0506 5.1876 5.2040 5.9186 6.0006 6.2965 6.3798 6.9307 7.0076 7.2993 7.4122 10.3671 10.3924 10.8281 10.9067 12.3706 12.3808 12.5019 12.5235 14.0151 14.0732 k = 0.5000-0.5000-0.2121 ( 5224 PWs) bands (ev): -4.8864 -4.8850 -4.7366 -4.7358 1.8860 1.9166 2.1859 2.1933 2.7898 2.8095 3.2033 3.2872 3.3774 3.4435 3.5115 3.5336 3.7734 3.8166 3.9363 3.9952 4.0356 4.1198 4.2774 4.3939 4.4578 4.4888 4.5471 4.5976 4.6446 4.6885 4.7417 4.8194 4.8871 4.9271 5.0025 5.0450 5.1825 5.2018 5.8453 5.9239 6.2625 6.3408 6.8932 6.9655 7.2528 7.3702 10.4865 10.5113 10.9494 11.0284 12.3568 12.3677 12.5342 12.5545 14.0099 14.0766 k = 0.5000-0.5000-0.2273 ( 5224 PWs) bands (ev): -4.8786 -4.8772 -4.7348 -4.7340 1.8898 1.9228 2.1823 2.1903 2.7533 2.7758 3.2154 3.3038 3.3916 3.4604 3.5276 3.5517 3.7797 3.8207 3.9414 3.9995 4.0354 4.1264 4.2755 4.3915 4.4554 4.4836 4.5442 4.5995 4.6411 4.6883 4.7367 4.8218 4.8888 4.9323 4.9985 5.0385 5.1769 5.2000 5.7717 5.8474 6.2317 6.3055 6.8550 6.9225 7.2047 7.3258 10.6078 10.6318 11.0699 11.1483 12.3434 12.3559 12.5722 12.5927 14.0052 14.0816 k = 0.5000-0.5000-0.2424 ( 5224 PWs) bands (ev): -4.8706 -4.8692 -4.7329 -4.7321 1.8942 1.9294 2.1785 2.1872 2.7148 2.7412 3.2286 3.3210 3.4070 3.4777 3.5446 3.5709 3.7864 3.8238 3.9478 4.0049 4.0363 4.1337 4.2733 4.3887 4.4504 4.4801 4.5429 4.6011 4.6368 4.6877 4.7312 4.8238 4.8893 4.9361 4.9948 5.0313 5.1708 5.1985 5.6983 5.7717 6.2045 6.2743 6.8164 6.8790 7.1552 7.2795 10.7300 10.7529 11.1884 11.2650 12.3313 12.3459 12.6153 12.6394 14.0012 14.0886 k = 0.5000-0.5000-0.2576 ( 5224 PWs) bands (ev): -4.8626 -4.8611 -4.7310 -4.7302 1.8991 1.9365 2.1746 2.1842 2.6748 2.7058 3.2428 3.3387 3.4233 3.4953 3.5622 3.5909 3.7936 3.8261 3.9550 4.0109 4.0389 4.1414 4.2707 4.3857 4.4434 4.4779 4.5428 4.6021 4.6320 4.6869 4.7254 4.8251 4.8889 4.9382 4.9915 5.0232 5.1641 5.1971 5.6257 5.6977 6.1809 6.2474 6.7776 6.8353 7.1046 7.2315 10.8518 10.8735 11.3034 11.3770 12.3209 12.3379 12.6636 12.6955 13.9980 14.0978 k = 0.5000-0.5000-0.2727 ( 5220 PWs) bands (ev): -4.8545 -4.8531 -4.7291 -4.7283 1.9046 1.9441 2.1706 2.1813 2.6338 2.6698 3.2578 3.3568 3.4402 3.5131 3.5802 3.6117 3.8014 3.8280 3.9625 4.0164 4.0444 4.1497 4.2677 4.3825 4.4358 4.4763 4.5438 4.6022 4.6270 4.6858 4.7193 4.8260 4.8874 4.9382 4.9885 5.0144 5.1565 5.1954 5.5545 5.6263 6.1613 6.2251 6.7391 6.7918 7.0532 7.1821 10.9721 10.9924 11.4136 11.4831 12.3125 12.3322 12.7178 12.7612 13.9958 14.1095 k = 0.5000-0.5000-0.2879 ( 5220 PWs) bands (ev): -4.8466 -4.8451 -4.7272 -4.7264 1.9107 1.9522 2.1665 2.1785 2.5922 2.6336 3.2736 3.3750 3.4577 3.5310 3.5983 3.6327 3.8099 3.8301 3.9699 4.0206 4.0536 4.1582 4.2645 4.3790 4.4283 4.4748 4.5456 4.6005 4.6225 4.6846 4.7131 4.8265 4.8848 4.9362 4.9858 5.0047 5.1480 5.1929 5.4854 5.5582 6.1458 6.2073 6.7012 6.7488 7.0013 7.1317 11.0895 11.1085 11.5178 11.5823 12.3063 12.3290 12.7786 12.8365 13.9948 14.1238 k = 0.5000-0.5000-0.3030 ( 5196 PWs) bands (ev): -4.8387 -4.8373 -4.7254 -4.7246 1.9176 1.9610 2.1625 2.1759 2.5506 2.5972 3.2901 3.3931 3.4756 3.5488 3.6163 3.6535 3.8193 3.8329 3.9771 4.0240 4.0657 4.1671 4.2612 4.3754 4.4218 4.4731 4.5479 4.5965 4.6195 4.6835 4.7068 4.8266 4.8810 4.9325 4.9830 4.9943 5.1384 5.1889 5.4193 5.4944 6.1345 6.1943 6.6643 6.7069 6.9491 7.0806 11.2024 11.2202 11.6152 11.6745 12.3023 12.3284 12.8467 12.9212 13.9952 14.1410 k = 0.5000-0.5000-0.3182 ( 5196 PWs) bands (ev): -4.8311 -4.8297 -4.7236 -4.7228 1.9251 1.9703 2.1584 2.1735 2.5091 2.5610 3.3071 3.4108 3.4936 3.5663 3.6336 3.6735 3.8292 3.8372 3.9839 4.0273 4.0795 4.1759 4.2579 4.3715 4.4165 4.4709 4.5502 4.5902 4.6176 4.6820 4.7002 4.8261 4.8759 4.9275 4.9786 4.9842 5.1271 5.1825 5.3574 5.4360 6.1276 6.1859 6.6287 6.6662 6.8970 7.0289 11.3089 11.3261 11.7052 11.7597 12.3006 12.3305 12.9220 13.0145 13.9971 14.1610 k = 0.5000-0.5000-0.3333 ( 5200 PWs) bands (ev): -4.8237 -4.8224 -4.7218 -4.7212 1.9336 1.9801 2.1543 2.1714 2.4681 2.5251 3.3243 3.4277 3.5116 3.5835 3.6500 3.6918 3.8387 3.8448 3.9904 4.0312 4.0937 4.1843 4.2551 4.3675 4.4126 4.4683 4.5525 4.5826 4.6163 4.6799 4.6940 4.8248 4.8693 4.9214 4.9684 4.9787 5.1139 5.1719 5.3021 5.3839 6.1249 6.1821 6.5949 6.6271 6.8450 6.9770 11.4074 11.4244 11.7878 11.8388 12.3012 12.3353 13.0044 13.1153 14.0006 14.1837 k = 0.5000-0.5000-0.3485 ( 5208 PWs) bands (ev): -4.8167 -4.8155 -4.7202 -4.7196 1.9429 1.9906 2.1502 2.1697 2.4279 2.4898 3.3418 3.4434 3.5296 3.6001 3.6651 3.7076 3.8477 3.8564 3.9968 4.0361 4.1077 4.1919 4.2531 4.3640 4.4100 4.4650 4.5544 4.5746 4.6152 4.6760 4.6891 4.8226 4.8609 4.9140 4.9557 4.9749 5.0985 5.1544 5.2570 5.3391 6.1265 6.1827 6.5632 6.5900 6.7935 6.9253 11.4960 11.5135 11.8633 11.9130 12.3038 12.3428 13.0931 13.2221 14.0057 14.2086 k = 0.5000-0.5000-0.3636 ( 5224 PWs) bands (ev): -4.8102 -4.8090 -4.7187 -4.7181 1.9531 2.0016 2.1462 2.1684 2.3887 2.4554 3.3592 3.4576 3.5473 3.6161 3.6787 3.7202 3.8585 3.8697 4.0034 4.0423 4.1206 4.1978 4.2525 4.3611 4.4085 4.4610 4.5556 4.5670 4.6138 4.6695 4.6865 4.8193 4.8506 4.9043 4.9435 4.9711 5.0808 5.1283 5.2253 5.3017 6.1324 6.1876 6.5339 6.5552 6.7427 6.8739 11.5735 11.5915 11.9327 11.9833 12.3084 12.3529 13.1871 13.3332 14.0122 14.2346 k = 0.5000-0.5000-0.3788 ( 5224 PWs) bands (ev): -4.8041 -4.8030 -4.7173 -4.7167 1.9645 2.0132 2.1422 2.1677 2.3508 2.4220 3.3764 3.4699 3.5648 3.6314 3.6906 3.7295 3.8714 3.8836 4.0109 4.0501 4.1322 4.2017 4.2536 4.3593 4.4083 4.4563 4.5544 4.5622 4.6121 4.6614 4.6854 4.8148 4.8380 4.8903 4.9342 4.9672 5.0613 5.0979 5.2051 5.2715 6.1422 6.1965 6.5071 6.5234 6.6928 6.8232 11.6391 11.6574 11.9966 12.0499 12.3145 12.3651 13.2851 13.4469 14.0198 14.2572 k = 0.5000-0.5000-0.3939 ( 5216 PWs) bands (ev): -4.7985 -4.7976 -4.7160 -4.7155 1.9770 2.0253 2.1383 2.1678 2.3142 2.3899 3.3932 3.4800 3.5820 3.6456 3.7008 3.7356 3.8856 3.8973 4.0198 4.0595 4.1421 4.2032 4.2561 4.3584 4.4091 4.4507 4.5497 4.5615 4.6098 4.6531 4.6848 4.8084 4.8233 4.8716 4.9292 4.9635 5.0405 5.0697 5.1913 5.2475 6.1560 6.2092 6.4822 6.4956 6.6441 6.7734 11.6932 11.7110 12.0551 12.1122 12.3220 12.3791 13.3854 13.5611 14.0278 14.2585 k = 0.5000-0.5000-0.4091 ( 5228 PWs) bands (ev): -4.7936 -4.7927 -4.7148 -4.7144 1.9908 2.0377 2.1343 2.1688 2.2792 2.3591 3.4094 3.4877 3.5986 3.6584 3.7092 3.7390 3.8994 3.9104 4.0308 4.0703 4.1501 4.2021 4.2595 4.3580 4.4105 4.4446 4.5449 4.5618 4.6065 4.6458 4.6839 4.7973 4.8089 4.8504 4.9276 4.9599 5.0202 5.0466 5.1809 5.2281 6.1733 6.2250 6.4579 6.4738 6.5966 6.7249 11.7366 11.7531 12.1076 12.1687 12.3310 12.3942 13.4862 13.6742 14.0353 14.2482 k = 0.5000-0.5000-0.4242 ( 5236 PWs) bands (ev): -4.7893 -4.7886 -4.7138 -4.7135 2.0059 2.0503 2.1303 2.1709 2.2459 2.3300 3.4248 3.4928 3.6146 3.6694 3.7157 3.7405 3.9117 3.9221 4.0444 4.0826 4.1562 4.1986 4.2637 4.3573 4.4118 4.4384 4.5413 4.5621 4.6024 4.6409 4.6821 4.7770 4.7991 4.8310 4.9287 4.9569 5.0026 5.0278 5.1730 5.2122 6.1941 6.2436 6.4344 6.4581 6.5508 6.6780 11.7706 11.7852 12.1535 12.2168 12.3423 12.4091 13.5856 13.7843 14.0410 14.2394 k = 0.5000-0.5000-0.4394 ( 5248 PWs) bands (ev): -4.7858 -4.7852 -4.7130 -4.7127 2.0223 2.0628 2.1261 2.1743 2.2145 2.3026 3.4392 3.4955 3.6298 3.6780 3.7207 3.7407 3.9218 3.9318 4.0607 4.0958 4.1599 4.1927 4.2688 4.3552 4.4123 4.4333 4.5393 4.5619 4.5991 4.6390 4.6788 4.7514 4.7913 4.8160 4.9316 4.9546 4.9887 5.0120 5.1673 5.1990 6.2179 6.2641 6.4127 6.4477 6.5073 6.6332 11.7966 11.8087 12.1922 12.2530 12.3576 12.4227 13.6810 13.8891 14.0437 14.2347 k = 0.5000-0.5000-0.4545 ( 5240 PWs) bands (ev): -4.7829 -4.7825 -4.7123 -4.7121 2.0403 2.0749 2.1216 2.1764 2.1883 2.2772 3.4524 3.4957 3.6439 3.6834 3.7246 3.7401 3.9298 3.9388 4.0794 4.1094 4.1609 4.1840 4.2760 4.3501 4.4122 4.4296 4.5389 4.5603 4.5991 4.6393 4.6737 4.7250 4.7856 4.8049 4.9358 4.9534 4.9782 4.9986 5.1639 5.1880 6.2448 6.2855 6.3931 6.4397 6.4699 6.5910 11.8160 11.8252 12.2236 12.2749 12.3777 12.4332 13.7695 13.9822 14.0456 14.2355 k = 0.5000-0.5000-0.4697 ( 5232 PWs) bands (ev): -4.7808 -4.7805 -4.7119 -4.7117 2.0599 2.0860 2.1167 2.1544 2.1905 2.2541 3.4641 3.4935 3.6566 3.6850 3.7281 3.7389 3.9360 3.9429 4.0995 4.1226 4.1587 4.1723 4.2859 4.3408 4.4130 4.4266 4.5403 4.5569 4.6042 4.6401 4.6675 4.7012 4.7827 4.7965 4.9409 4.9530 4.9710 4.9870 5.1626 5.1789 6.2743 6.3066 6.3752 6.4150 6.4585 6.5522 11.8295 11.8357 12.2481 12.2843 12.3996 12.4391 13.8477 14.0150 14.0904 14.2414 k = 0.5000-0.5000-0.4848 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0810 2.0958 2.1108 2.1285 2.2014 2.2335 3.4743 3.4891 3.6676 3.6825 3.7314 3.7370 3.9405 3.9442 4.1199 4.1348 4.1530 4.1576 4.2986 4.3279 4.4155 4.4231 4.5432 4.5523 4.6138 4.6364 4.6650 4.6828 4.7827 4.7900 4.9459 4.9524 4.9679 4.9773 5.1635 5.1718 6.3060 6.3263 6.3582 6.3791 6.4689 6.5179 11.8380 11.8411 12.2663 12.2847 12.4187 12.4390 13.9127 13.9967 14.1628 14.2441 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 k = 0.5000-0.4891-0.4891 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0796 2.0954 2.1125 2.1286 2.2011 2.2340 3.4716 3.4923 3.6649 3.6864 3.7312 3.7363 3.9408 3.9437 4.1215 4.1310 4.1535 4.1588 4.2980 4.3295 4.4135 4.4247 4.5420 4.5530 4.6173 4.6345 4.6601 4.6859 4.7826 4.7889 4.9453 4.9540 4.9660 4.9778 5.1650 5.1721 6.2986 6.3278 6.3602 6.3817 6.4701 6.5183 11.8361 11.8383 12.2632 12.2897 12.4154 12.4447 13.9235 13.9851 14.1771 14.2370 k = 0.5000-0.4783-0.4783 ( 5232 PWs) bands (ev): -4.7809 -4.7806 -4.7119 -4.7117 2.0573 2.0848 2.1195 2.1551 2.1901 2.2552 3.4592 3.5002 3.6518 3.6943 3.7264 3.7368 3.9362 3.9421 4.1028 4.1151 4.1620 4.1715 4.2858 4.3451 4.4085 4.4296 4.5368 4.5589 4.6099 4.6407 4.6563 4.7049 4.7812 4.7933 4.9411 4.9534 4.9688 4.9865 5.1670 5.1812 6.2614 6.3058 6.3750 6.4245 6.4617 6.5544 11.8213 11.8255 12.2440 12.2969 12.3946 12.4529 13.8712 13.9893 14.1230 14.2242 k = 0.5000-0.4674-0.4674 ( 5236 PWs) bands (ev): -4.7831 -4.7825 -4.7124 -4.7122 2.0363 2.0730 2.1260 2.1822 2.1835 2.2788 3.4457 3.5062 3.6375 3.6994 3.7203 3.7368 3.9294 3.9382 4.0839 4.0985 4.1651 4.1814 4.2782 4.3581 4.4049 4.4336 4.5321 4.5649 4.6048 4.6413 4.6613 4.7261 4.7821 4.7983 4.9374 4.9519 4.9764 4.9964 5.1725 5.1935 6.2266 6.2813 6.3900 6.4551 6.4775 6.5960 11.7973 11.8033 12.2207 12.2995 12.3705 12.4571 13.8087 13.9692 14.0703 14.1958 k = 0.5000-0.4565-0.4565 ( 5242 PWs) bands (ev): -4.7860 -4.7853 -4.7131 -4.7129 2.0169 2.0603 2.1321 2.1788 2.2121 2.3046 3.4311 3.5101 3.6221 3.6998 3.7141 3.7372 3.9206 3.9323 4.0651 4.0822 4.1630 4.1876 4.2752 4.3669 4.4036 4.4369 4.5281 4.5711 4.6027 4.6403 4.6696 4.7467 4.7869 4.8041 4.9339 4.9536 4.9857 5.0077 5.1810 5.2084 6.1942 6.2557 6.4064 6.4657 6.5234 6.6419 11.7645 11.7718 12.1937 12.2955 12.3457 12.4574 13.7395 13.9183 14.0322 14.1616 k = 0.5000-0.4457-0.4457 ( 5238 PWs) bands (ev): -4.7898 -4.7889 -4.7140 -4.7137 1.9989 2.0474 2.1381 2.1780 2.2424 2.3321 3.4158 3.5113 3.6061 3.6941 3.7085 3.7390 3.9100 3.9244 4.0465 4.0673 4.1568 4.1908 4.2757 4.3716 4.4037 4.4396 4.5255 4.5773 4.6041 4.6402 4.6773 4.7631 4.7975 4.8117 4.9313 4.9597 4.9964 5.0207 5.1919 5.2253 6.1645 6.2303 6.4251 6.4809 6.5737 6.6913 11.7229 11.7313 12.1629 12.2795 12.3262 12.4540 13.6664 13.8473 14.0030 14.1232 k = 0.5000-0.4348-0.4348 ( 5226 PWs) bands (ev): -4.7943 -4.7933 -4.7151 -4.7147 1.9823 2.0347 2.1441 2.1798 2.2739 2.3611 3.3999 3.5094 3.5901 3.6842 3.7023 3.7419 3.8978 3.9147 4.0282 4.0543 4.1480 4.1915 4.2775 4.3736 4.4034 4.4413 4.5250 4.5830 4.6085 4.6412 4.6835 4.7748 4.8085 4.8249 4.9304 4.9706 5.0088 5.0357 5.2048 5.2435 6.1375 6.2061 6.4465 6.5018 6.6260 6.7436 11.6729 11.6823 12.1286 12.2492 12.3143 12.4470 13.5918 13.7686 13.9739 14.0811 k = 0.5000-0.4239-0.4239 ( 5232 PWs) bands (ev): -4.7996 -4.7985 -4.7164 -4.7159 1.9672 2.0225 2.1502 2.1840 2.3065 2.3913 3.3837 3.5037 3.5747 3.6724 3.6944 3.7452 3.8843 3.9035 4.0106 4.0430 4.1379 4.1902 4.2794 4.3742 4.4017 4.4413 4.5271 4.5882 4.6148 4.6434 4.6879 4.7851 4.8151 4.8429 4.9319 4.9858 5.0235 5.0530 5.2190 5.2625 6.1131 6.1835 6.4708 6.5279 6.6800 6.7985 11.6152 11.6257 12.0909 12.2104 12.3045 12.4363 13.5171 13.6875 13.9426 14.0359 k = 0.5000-0.4130-0.4130 ( 5220 PWs) bands (ev): -4.8056 -4.8044 -4.7178 -4.7173 1.9536 2.0112 2.1566 2.1903 2.3400 2.4226 3.3673 3.4938 3.5604 3.6596 3.6851 3.7483 3.8703 3.8913 3.9943 4.0333 4.1275 4.1875 4.2810 4.3735 4.3991 4.4397 4.5315 4.5929 4.6216 4.6472 4.6913 4.7952 4.8202 4.8596 4.9367 5.0039 5.0419 5.0730 5.2343 5.2817 6.0915 6.1629 6.4982 6.5589 6.7354 6.8556 11.5505 11.5623 12.0498 12.1662 12.2937 12.4220 13.4436 13.6063 13.9090 13.9888 k = 0.5000-0.4022-0.4022 ( 5228 PWs) bands (ev): -4.8123 -4.8109 -4.7195 -4.7189 1.9413 2.0007 2.1635 2.1982 2.3743 2.4548 3.3510 3.4802 3.5468 3.6462 3.6744 3.7505 3.8561 3.8786 3.9792 4.0247 4.1171 4.1838 4.2819 4.3710 4.3959 4.4374 4.5374 4.5970 4.6274 4.6522 4.6946 4.8036 4.8256 4.8728 4.9446 5.0222 5.0653 5.0962 5.2505 5.3009 6.0726 6.1444 6.5286 6.5942 6.7920 6.9147 11.4801 11.4934 12.0051 12.1175 12.2809 12.4040 13.3720 13.5262 13.8736 13.9408 k = 0.5000-0.3913-0.3913 ( 5224 PWs) bands (ev): -4.8197 -4.8182 -4.7213 -4.7207 1.9306 1.9915 2.1712 2.2077 2.4094 2.4875 3.3350 3.4638 3.5334 3.6323 3.6629 3.7514 3.8426 3.8662 3.9654 4.0170 4.1070 4.1792 4.2825 4.3665 4.3926 4.4355 4.5439 4.6007 4.6316 4.6581 4.6991 4.8089 4.8325 4.8833 4.9551 5.0394 5.0928 5.1231 5.2675 5.3199 6.0564 6.1283 6.5619 6.6335 6.8495 6.9755 11.4049 11.4201 11.9569 12.0645 12.2657 12.3824 13.3025 13.4480 13.8370 13.8934 k = 0.5000-0.3804-0.3804 ( 5224 PWs) bands (ev): -4.8277 -4.8261 -4.7234 -4.7227 1.9212 1.9834 2.1798 2.2186 2.4450 2.5207 3.3195 3.4459 3.5195 3.6177 3.6512 3.7505 3.8303 3.8547 3.9528 4.0100 4.0974 4.1738 4.2829 4.3602 4.3890 4.4349 4.5504 4.6039 4.6341 4.6643 4.7053 4.8115 4.8399 4.8924 4.9671 5.0556 5.1219 5.1535 5.2856 5.3389 6.0430 6.1146 6.5978 6.6762 6.9075 7.0376 11.3264 11.3438 11.9049 12.0072 12.2481 12.3573 13.2352 13.3722 13.7996 13.8481 k = 0.5000-0.3696-0.3696 ( 5228 PWs) bands (ev): -4.8363 -4.8346 -4.7256 -4.7248 1.9134 1.9765 2.1895 2.2308 2.4809 2.5539 3.3048 3.4273 3.5046 3.6019 3.6398 3.7473 3.8196 3.8449 3.9410 4.0036 4.0883 4.1677 4.2830 4.3525 4.3852 4.4358 4.5564 4.6068 4.6355 4.6702 4.7129 4.8127 4.8462 4.9011 4.9803 5.0710 5.1508 5.1860 5.3057 5.3582 6.0322 6.1032 6.6360 6.7218 6.9658 7.1007 11.2458 11.2656 11.8493 11.9459 12.2281 12.3289 13.1701 13.2991 13.7620 13.8061 k = 0.5000-0.3587-0.3587 ( 5224 PWs) bands (ev): -4.8454 -4.8437 -4.7280 -4.7272 1.9070 1.9710 2.2003 2.2441 2.5169 2.5872 3.2910 3.4089 3.4891 3.5847 3.6291 3.7416 3.8102 3.8376 3.9299 3.9977 4.0799 4.1608 4.2831 4.3443 4.3818 4.4380 4.5616 4.6093 4.6363 4.6759 4.7213 4.8137 4.8508 4.9092 4.9947 5.0860 5.1787 5.2178 5.3288 5.3786 6.0242 6.0944 6.6760 6.7695 7.0239 7.1644 11.1644 11.1867 11.7902 11.8809 12.2055 12.2974 13.1068 13.2285 13.7249 13.7682 k = 0.5000-0.3478-0.3478 ( 5224 PWs) bands (ev): -4.8550 -4.8532 -4.7306 -4.7297 1.9020 1.9668 2.2122 2.2587 2.5527 2.6200 3.2784 3.3911 3.4732 3.5661 3.6193 3.7335 3.8019 3.8331 3.9194 3.9922 4.0722 4.1530 4.2828 4.3362 4.3789 4.4411 4.5657 4.6116 4.6374 4.6813 4.7295 4.8151 4.8537 4.9161 5.0104 5.1003 5.2047 5.2466 5.3558 5.4010 6.0187 6.0880 6.7171 6.8187 7.0814 7.2282 11.0834 11.1084 11.7282 11.8128 12.1807 12.2632 13.0446 13.1602 13.6898 13.7346 k = 0.5000-0.3370-0.3370 ( 5224 PWs) bands (ev): -4.8651 -4.8633 -4.7334 -4.7324 1.8986 1.9640 2.2254 2.2743 2.5881 2.6521 3.2671 3.3742 3.4573 3.5465 3.6103 3.7238 3.7942 3.8311 3.9092 3.9872 4.0651 4.1443 4.2819 4.3290 4.3770 4.4449 4.5686 4.6134 4.6390 4.6864 4.7369 4.8174 4.8555 4.9216 5.0272 5.1140 5.2277 5.2716 5.3866 5.4267 6.0159 6.0841 6.7587 6.8686 7.1378 7.2916 11.0039 11.0316 11.6638 11.7425 12.1534 12.2265 12.9833 13.0938 13.6578 13.7052 k = 0.5000-0.3261-0.3261 ( 5228 PWs) bands (ev): -4.8756 -4.8737 -4.7363 -4.7353 1.8965 1.9625 2.2397 2.2910 2.6226 2.6831 3.2574 3.3584 3.4420 3.5264 3.6019 3.7128 3.7872 3.8309 3.8994 3.9825 4.0587 4.1349 4.2799 4.3234 4.3760 4.4492 4.5701 4.6149 4.6416 4.6911 4.7430 4.8209 4.8561 4.9256 5.0449 5.1271 5.2467 5.2933 5.4193 5.4571 6.0156 6.0827 6.8001 6.9182 7.1927 7.3539 10.9271 10.9574 11.5982 11.6710 12.1239 12.1875 12.9223 13.0289 13.6299 13.6797 k = 0.5000-0.3152-0.3152 ( 5220 PWs) bands (ev): -4.8864 -4.8845 -4.7394 -4.7383 1.8960 1.9624 2.2553 2.3088 2.6559 2.7126 3.2494 3.3441 3.4278 3.5062 3.5943 3.7012 3.7807 3.8318 3.8899 3.9782 4.0530 4.1249 4.2768 4.3201 4.3763 4.4541 4.5704 4.6165 4.6448 4.6954 4.7478 4.8257 4.8561 4.9284 5.0629 5.1396 5.2615 5.3130 5.4524 5.4923 6.0180 6.0839 6.8406 6.9666 7.2454 7.4145 10.8540 10.8866 11.5324 11.5994 12.0922 12.1464 12.8614 12.9651 13.6068 13.6578 k = 0.5000-0.3043-0.3043 ( 5216 PWs) bands (ev): -4.8975 -4.8955 -4.7426 -4.7415 1.8970 1.9637 2.2721 2.3276 2.6874 2.7403 3.2434 3.3312 3.4149 3.4864 3.5872 3.6892 3.7747 3.8331 3.8808 3.9741 4.0479 4.1146 4.2729 4.3187 4.3776 4.4593 4.5697 4.6181 4.6485 4.6991 4.7514 4.8317 4.8552 4.9303 5.0808 5.1515 5.2724 5.3313 5.4858 5.5308 6.0229 6.0876 6.8794 7.0128 7.2953 7.4724 10.7856 10.8202 11.4676 11.5292 12.0581 12.1032 12.8004 12.9022 13.5885 13.6394 k = 0.5000-0.2935-0.2935 ( 5216 PWs) bands (ev): -4.9088 -4.9068 -4.7460 -4.7449 1.8994 1.9663 2.2900 2.3475 2.7166 2.7658 3.2394 3.3198 3.4038 3.4674 3.5807 3.6772 3.7691 3.8343 3.8723 3.9701 4.0436 4.1042 4.2686 4.3187 4.3801 4.4649 4.5682 4.6197 4.6523 4.7022 4.7541 4.8385 4.8537 4.9318 5.0978 5.1631 5.2805 5.3484 5.5197 5.5709 6.0303 6.0939 6.9156 7.0559 7.3418 7.5269 10.7227 10.7589 11.4052 11.4617 12.0216 12.0580 12.7394 12.8402 13.5750 13.6238 k = 0.5000-0.2826-0.2826 ( 5212 PWs) bands (ev): -4.9203 -4.9184 -4.7495 -4.7484 1.9033 1.9703 2.3091 2.3682 2.7429 2.7886 3.2377 3.3099 3.3948 3.4497 3.5749 3.6654 3.7636 3.8349 3.8645 3.9662 4.0400 4.0942 4.2647 4.3198 4.3836 4.4708 4.5661 4.6214 4.6561 4.7045 4.7565 4.8456 4.8518 4.9333 5.1135 5.1744 5.2868 5.3646 5.5542 5.6111 6.0404 6.1028 6.9487 7.0950 7.3842 7.5771 10.6664 10.7036 11.3464 11.3982 11.9827 12.0107 12.6787 12.7791 13.5658 13.6105 k = 0.5000-0.2717-0.2717 ( 5204 PWs) bands (ev): -4.9319 -4.9300 -4.7531 -4.7520 1.9087 1.9757 2.3293 2.3898 2.7658 2.8086 3.2383 3.3015 3.3879 3.4338 3.5697 3.6540 3.7581 3.8342 3.8579 3.9623 4.0373 4.0852 4.2616 4.3213 4.3880 4.4770 4.5637 4.6229 4.6598 4.7061 4.7588 4.8488 4.8536 4.9351 5.1275 5.1857 5.2920 5.3801 5.5890 5.6506 6.0532 6.1143 6.9780 7.1291 7.4218 7.6219 10.6172 10.6548 11.2925 11.3400 11.9412 11.9613 12.6186 12.7191 13.5605 13.5984 k = 0.5000-0.2609-0.2609 ( 5204 PWs) bands (ev): -4.9437 -4.9417 -4.7569 -4.7557 1.9154 1.9823 2.3504 2.4123 2.7850 2.8254 3.2411 3.2944 3.3828 3.4202 3.5650 3.6430 3.7527 3.8318 3.8525 3.9585 4.0354 4.0775 4.2593 4.3233 4.3930 4.4832 4.5611 4.6241 4.6632 4.7069 4.7612 4.8463 4.8609 4.9372 5.1394 5.1970 5.2968 5.3951 5.6235 5.6885 6.0686 6.1283 7.0028 7.1575 7.4538 7.6604 10.5758 10.6132 11.2447 11.2881 11.8970 11.9099 12.5595 12.6604 13.5583 13.5869 k = 0.5000-0.2500-0.2500 ( 5184 PWs) bands (ev): -4.9554 -4.9534 -4.7607 -4.7595 1.9236 1.9903 2.3726 2.4355 2.8001 2.8391 3.2457 3.2888 3.3787 3.4103 3.5609 3.6328 3.7472 3.8281 3.8481 3.9550 4.0345 4.0717 4.2583 4.3256 4.3986 4.4896 4.5587 4.6249 4.6664 4.7074 4.7637 4.8436 4.8683 4.9400 5.1492 5.2081 5.3021 5.4099 5.6576 5.7245 6.0867 6.1449 7.0227 7.1796 7.4798 7.6916 10.5428 10.5794 11.2040 11.2435 11.8495 11.8570 12.5019 12.6032 13.5573 13.5761 k = 0.5000-0.2391-0.2391 ( 5200 PWs) bands (ev): -4.9671 -4.9652 -4.7646 -4.7634 1.9331 1.9994 2.3955 2.4593 2.8111 2.8496 3.2511 3.2847 3.3739 3.4053 3.5569 3.6232 3.7416 3.8237 3.8434 3.9518 4.0342 4.0682 4.2581 4.3279 4.4042 4.4956 4.5562 4.6250 4.6691 4.7076 4.7660 4.8411 4.8754 4.9433 5.1569 5.2185 5.3082 5.4245 5.6909 5.7582 6.1073 6.1636 7.0374 7.1950 7.4989 7.7147 10.5185 10.5537 11.1711 11.2068 11.7971 11.8042 12.4462 12.5477 13.5526 13.5701 k = 0.5000-0.2283-0.2283 ( 5196 PWs) bands (ev): -4.9786 -4.9768 -4.7686 -4.7673 1.9439 2.0097 2.4193 2.4838 2.8184 2.8570 3.2562 3.2827 3.3686 3.4052 3.5529 3.6144 3.7362 3.8195 3.8380 3.9494 4.0346 4.0675 4.2592 4.3305 4.4099 4.5012 4.5542 4.6245 4.6715 4.7082 4.7683 4.8390 4.8824 4.9471 5.1630 5.2279 5.3158 5.4391 5.7231 5.7896 6.1304 6.1846 7.0468 7.2034 7.5110 7.7289 10.5031 10.5366 11.1464 11.1785 11.7403 11.7515 12.3928 12.4942 13.5416 13.5706 k = 0.5000-0.2174-0.2174 ( 5220 PWs) bands (ev): -4.9901 -4.9882 -4.7726 -4.7713 1.9559 2.0209 2.4437 2.5087 2.8224 2.8615 3.2591 3.2831 3.3641 3.4083 3.5482 3.6063 3.7313 3.8156 3.8318 3.9478 4.0352 4.0697 4.2611 4.3333 4.4152 4.5061 4.5524 4.6231 4.6733 4.7091 4.7702 4.8374 4.8893 4.9512 5.1678 5.2361 5.3251 5.4537 5.7541 5.8184 6.1555 6.2074 7.0506 7.2049 7.5156 7.7338 10.4965 10.5281 11.1300 11.1587 11.6812 11.6971 12.3420 12.4429 13.5291 13.5720 k = 0.5000-0.2065-0.2065 ( 5220 PWs) bands (ev): -5.0013 -4.9995 -4.7765 -4.7753 1.9690 2.0332 2.4688 2.5340 2.8237 2.8636 3.2599 3.2851 3.3619 3.4133 3.5427 3.5989 3.7272 3.8115 3.8262 3.9473 4.0363 4.0751 4.2640 4.3365 4.4202 4.5101 4.5512 4.6212 4.6749 4.7109 4.7720 4.8366 4.8962 4.9558 5.1718 5.2432 5.3364 5.4686 5.7839 5.8449 6.1823 6.2318 7.0493 7.1996 7.5127 7.7293 10.4986 10.5284 11.1218 11.1471 11.6205 11.6408 12.2941 12.3939 13.5173 13.5717 k = 0.5000-0.1957-0.1957 ( 5220 PWs) bands (ev): -5.0123 -5.0106 -4.7805 -4.7793 1.9832 2.0463 2.4943 2.5597 2.8229 2.8635 3.2595 3.2866 3.3626 3.4189 3.5357 3.5919 3.7241 3.8053 3.8236 3.9476 4.0379 4.0832 4.2677 4.3399 4.4246 4.5130 4.5505 4.6186 4.6764 4.7132 4.7735 4.8363 4.9032 4.9605 5.1752 5.2493 5.3494 5.4838 5.8124 5.8693 6.2102 6.2574 7.0430 7.1881 7.5026 7.7154 10.5089 10.5371 11.1212 11.1433 11.5590 11.5829 12.2492 12.3472 13.5070 13.5694 k = 0.5000-0.1848-0.1848 ( 5222 PWs) bands (ev): -5.0230 -5.0213 -4.7845 -4.7833 1.9983 2.0601 2.5202 2.5855 2.8204 2.8619 3.2588 3.2865 3.3658 3.4246 3.5271 3.5848 3.7222 3.7968 3.8247 3.9487 4.0403 4.0937 4.2720 4.3436 4.4283 4.5148 4.5502 4.6156 4.6779 4.7160 4.7751 4.8366 4.9101 4.9651 5.1783 5.2549 5.3640 5.4993 5.8396 5.8917 6.2386 6.2838 7.0320 7.1708 7.4855 7.6925 10.5268 10.5538 11.1272 11.1466 11.4972 11.5240 12.2073 12.3030 13.4987 13.5660 k = 0.5000-0.1739-0.1739 ( 5230 PWs) bands (ev): -5.0333 -5.0317 -4.7883 -4.7872 2.0141 2.0744 2.5463 2.6113 2.8168 2.8590 3.2580 3.2848 3.3704 3.4299 3.5170 3.5774 3.7212 3.7873 3.8287 3.9503 4.0436 4.1061 4.2769 4.3476 4.4312 4.5155 4.5502 4.6126 4.6794 4.7189 4.7769 4.8373 4.9169 4.9696 5.1814 5.2602 5.3800 5.5155 5.8656 5.9124 6.2668 6.3107 7.0170 7.1485 7.4622 7.6614 10.5516 10.5779 11.1385 11.1559 11.4356 11.4645 12.1686 12.2613 13.4926 13.5628 k = 0.5000-0.1630-0.1630 ( 5234 PWs) bands (ev): -5.0433 -5.0418 -4.7921 -4.7911 2.0305 2.0890 2.5725 2.6369 2.8126 2.8553 3.2575 3.2821 3.3751 3.4345 3.5056 3.5695 3.7210 3.7777 3.8349 3.9524 4.0481 4.1201 4.2822 4.3516 4.4335 4.5153 4.5503 4.6097 4.6809 4.7216 4.7793 4.8385 4.9237 4.9738 5.1845 5.2654 5.3974 5.5322 5.8903 5.9318 6.2940 6.3378 6.9983 7.1219 7.4335 7.6230 10.5823 10.6084 11.1537 11.1703 11.3751 11.4055 12.1330 12.2221 13.4891 13.5606 k = 0.5000-0.1522-0.1522 ( 5230 PWs) bands (ev): -5.0528 -5.0513 -4.7958 -4.7948 2.0474 2.1039 2.5987 2.6622 2.8082 2.8514 3.2572 3.2788 3.3789 3.4379 3.4937 3.5612 3.7212 3.7686 3.8427 3.9546 4.0541 4.1351 4.2878 4.3557 4.4356 4.5145 4.5503 4.6072 4.6824 4.7237 4.7824 4.8400 4.9302 4.9776 5.1880 5.2707 5.4163 5.5499 5.9139 5.9499 6.3195 6.3645 6.9765 7.0920 7.4005 7.5786 10.6177 10.6442 11.1700 11.1885 11.3170 11.3484 12.1004 12.1856 13.4883 13.5599 k = 0.5000-0.1413-0.1413 ( 5226 PWs) bands (ev): -5.0618 -5.0605 -4.7994 -4.7984 2.0646 2.1188 2.6246 2.6867 2.8040 2.8477 3.2570 3.2752 3.3808 3.4388 3.4828 3.5530 3.7216 3.7600 3.8516 3.9568 4.0617 4.1509 4.2936 4.3595 4.4376 4.5133 4.5503 4.6054 4.6835 4.7251 4.7863 4.8417 4.9363 4.9810 5.1917 5.2760 5.4367 5.5685 5.9363 5.9672 6.3425 6.3906 6.9520 7.0596 7.3643 7.5293 10.6568 10.6840 11.1817 11.2086 11.2641 11.2972 12.0708 12.1517 13.4901 13.5610 k = 0.5000-0.1304-0.1304 ( 5230 PWs) bands (ev): -5.0704 -5.0691 -4.8028 -4.8019 2.0819 2.1334 2.6500 2.7097 2.8008 2.8448 3.2569 3.2715 3.3800 3.4348 3.4756 3.5451 3.7218 3.7522 3.8607 3.9586 4.0710 4.1667 4.2995 4.3628 4.4399 4.5118 4.5502 4.6042 4.6840 4.7256 4.7910 4.8438 4.9419 4.9839 5.1959 5.2813 5.4585 5.5882 5.9574 5.9839 6.3624 6.4154 6.9254 7.0255 7.3262 7.4768 10.6981 10.7263 11.1716 11.2086 11.2395 11.2671 12.0443 12.1205 13.4948 13.5641 k = 0.5000-0.1196-0.1196 ( 5238 PWs) bands (ev): -5.0783 -5.0771 -4.8060 -4.8051 2.0990 2.1476 2.6744 2.7301 2.7994 2.8434 3.2567 3.2678 3.3763 3.4245 3.4739 3.5381 3.7218 3.7451 3.8698 3.9599 4.0820 4.1823 4.3055 4.3653 4.4429 4.5103 4.5500 4.6037 4.6839 4.7252 4.7964 4.8460 4.9470 4.9863 5.2003 5.2863 5.4820 5.6090 5.9768 6.0007 6.3787 6.4384 6.8970 6.9906 7.2875 7.4224 10.7399 10.7692 11.1346 11.1657 11.2593 11.2704 12.0206 12.0920 13.5022 13.5692 k = 0.5000-0.1087-0.1087 ( 5230 PWs) bands (ev): -5.0857 -5.0846 -4.8090 -4.8082 2.1158 2.1612 2.6972 2.7458 2.8016 2.8447 3.2564 3.2644 3.3695 3.4101 3.4759 3.5324 3.7216 3.7390 3.8785 3.9606 4.0947 4.1970 4.3116 4.3671 4.4466 4.5091 4.5499 4.6039 4.6831 4.7242 4.8022 4.8485 4.9516 4.9882 5.2052 5.2909 5.5070 5.6311 5.9941 6.0183 6.3906 6.4588 6.8674 6.9557 7.2494 7.3679 10.7798 10.8104 11.0931 11.1214 11.2812 11.2870 11.9998 12.0662 13.5123 13.5762 k = 0.5000-0.0978-0.0978 ( 5230 PWs) bands (ev): -5.0925 -5.0915 -4.8118 -4.8111 2.1320 2.1739 2.7173 2.7550 2.8087 2.8502 3.2551 3.2618 3.3597 3.3937 3.4795 3.5281 3.7212 3.7335 3.8866 3.9605 4.1086 4.2102 4.3177 4.3682 4.4509 4.5084 4.5500 4.6045 4.6815 4.7224 4.8082 4.8510 4.9556 4.9895 5.2104 5.2947 5.5336 5.6542 6.0091 6.0373 6.3975 6.4759 6.8371 6.9212 7.2133 7.3149 10.8143 10.8462 11.0578 11.0837 11.3014 11.3064 11.9819 12.0431 13.5249 13.5850 k = 0.5000-0.0870-0.0870 ( 5224 PWs) bands (ev): -5.0986 -5.0977 -4.8144 -4.8137 2.1475 2.1856 2.7334 2.7587 2.8197 2.8608 3.2520 3.2609 3.3476 3.3765 3.4838 3.5251 3.7205 3.7289 3.8940 3.9596 4.1233 4.2214 4.3237 4.3688 4.4556 4.5085 4.5505 4.6054 4.6792 4.7200 4.8143 4.8535 4.9591 4.9903 5.2160 5.2974 5.5616 5.6780 6.0222 6.0577 6.3991 6.4889 6.8074 6.8874 7.1800 7.2652 10.8380 10.8703 11.0351 11.0592 11.3197 11.3255 11.9667 12.0225 13.5400 13.5954 k = 0.5000-0.0761-0.0761 ( 5228 PWs) bands (ev): -5.1041 -5.1033 -4.8167 -4.8161 2.1621 2.1960 2.7443 2.7598 2.8335 2.8756 3.2477 3.2611 3.3338 3.3591 3.4882 3.5231 3.7194 3.7249 3.9007 3.9580 4.1385 4.2304 4.3296 4.3692 4.4602 4.5093 4.5516 4.6063 4.6766 4.7170 4.8203 4.8557 4.9623 4.9906 5.2219 5.2988 5.5907 5.7016 6.0341 6.0793 6.3947 6.4968 6.7795 6.8545 7.1505 7.2202 10.8452 10.8755 11.0313 11.0542 11.3359 11.3425 11.9543 12.0044 13.5572 13.6072 k = 0.5000-0.0652-0.0652 ( 5224 PWs) bands (ev): -5.1089 -5.1082 -4.8187 -4.8182 2.1755 2.2051 2.7501 2.7603 2.8499 2.8922 3.2427 3.2619 3.3193 3.3421 3.4927 3.5217 3.7183 3.7217 3.9069 3.9559 4.1538 4.2368 4.3351 4.3693 4.4649 4.5104 4.5536 4.6070 4.6740 4.7133 4.8261 4.8576 4.9653 4.9904 5.2281 5.2987 5.6205 5.7241 6.0458 6.1018 6.3846 6.4984 6.7550 6.8228 7.1253 7.1813 10.8370 10.8631 11.0447 11.0669 11.3499 11.3571 11.9445 11.9887 13.5761 13.6202 k = 0.5000-0.0543-0.0543 ( 5226 PWs) bands (ev): -5.1129 -5.1124 -4.8204 -4.8200 2.1875 2.2126 2.7523 2.7604 2.8680 2.9087 3.2375 3.2629 3.3043 3.3262 3.4970 3.5207 3.7169 3.7192 3.9125 3.9532 4.1687 4.2407 4.3402 4.3691 4.4697 4.5112 4.5568 4.6070 4.6720 4.7091 4.8316 4.8588 4.9681 4.9898 5.2347 5.2971 5.6503 5.7443 6.0580 6.1248 6.3697 6.4927 6.7351 6.7933 7.1049 7.1488 10.8212 10.8427 11.0668 11.0878 11.3617 11.3690 11.9372 11.9750 13.5962 13.6339 k = 0.5000-0.0435-0.0435 ( 5222 PWs) bands (ev): -5.1163 -5.1158 -4.8218 -4.8215 2.1981 2.2184 2.7531 2.7601 2.8866 2.9233 3.2327 3.2641 3.2896 3.3124 3.5011 3.5198 3.7155 3.7173 3.9177 3.9501 4.1830 4.2423 4.3448 4.3685 4.4750 4.5111 4.5614 4.6059 4.6710 4.7043 4.8369 4.8594 4.9708 4.9887 5.2416 5.2940 5.6794 5.7608 6.0717 6.1467 6.3527 6.4790 6.7205 6.7670 7.0893 7.1228 10.8043 10.8213 11.0905 11.1094 11.3712 11.3782 11.9323 11.9633 13.6171 13.6479 k = 0.5000-0.0326-0.0326 ( 5226 PWs) bands (ev): -5.1189 -5.1185 -4.8229 -4.8227 2.2071 2.2224 2.7535 2.7593 2.9042 2.9348 3.2290 3.2637 3.2768 3.3010 3.5049 3.5188 3.7143 3.7158 3.9224 3.9467 4.1961 4.2415 4.3489 4.3672 4.4807 4.5098 4.5671 4.6033 4.6716 4.6990 4.8418 4.8591 4.9735 4.9873 5.2487 5.2896 5.7067 5.7719 6.0877 6.1643 6.3384 6.4576 6.7110 6.7453 7.0785 7.1027 10.7896 10.8023 11.1122 11.1277 11.3788 11.3848 11.9296 11.9534 13.6377 13.6614 k = 0.5000-0.0217-0.0217 ( 5230 PWs) bands (ev): -5.1207 -5.1205 -4.8237 -4.8235 2.2143 2.2246 2.7540 2.7581 2.9198 2.9420 3.2277 3.2558 3.2731 3.2919 3.5082 3.5175 3.7135 3.7146 3.9269 3.9431 4.2080 4.2387 4.3526 4.3652 4.4867 4.5071 4.5736 4.5992 4.6739 4.6935 4.8462 4.8581 4.9761 4.9855 5.2561 5.2841 5.7310 5.7768 6.1063 6.1716 6.3344 6.4301 6.7063 6.7285 7.0722 7.0880 10.7789 10.7874 11.1297 11.1408 11.3845 11.3889 11.9291 11.9451 13.6568 13.6731 k = 0.5000-0.0109-0.0109 ( 5230 PWs) bands (ev): -5.1218 -5.1217 -4.8242 -4.8241 2.2198 2.2249 2.7548 2.7569 2.9324 2.9440 3.2296 3.2445 3.2755 3.2849 3.5112 3.5158 3.7131 3.7138 3.9312 3.9393 4.2184 4.2338 4.3562 4.3626 4.4927 4.5032 4.5806 4.5938 4.6776 4.6878 4.8502 4.8562 4.9787 4.9834 5.2635 5.2778 5.7512 5.7748 6.1271 6.1650 6.3458 6.3995 6.7057 6.7167 7.0701 7.0779 10.7731 10.7773 11.1419 11.1478 11.3884 11.3907 11.9305 11.9386 13.6721 13.6806 k = 0.5000-0.0000-0.0000 ( 5230 PWs) bands (ev): -5.1221 -5.1221 -4.8243 -4.8243 2.2233 2.2233 2.7557 2.7557 2.9407 2.9407 3.2353 3.2353 3.2795 3.2795 3.5137 3.5137 3.7132 3.7132 3.9353 3.9353 4.2270 4.2270 4.3595 4.3595 4.4983 4.4983 4.5874 4.5874 4.6824 4.6824 4.8535 4.8535 4.9811 4.9811 5.2708 5.2708 5.7661 5.7661 6.1481 6.1481 6.3697 6.3697 6.7092 6.7092 7.0720 7.0720 10.7725 10.7725 11.1481 11.1481 11.3905 11.3905 11.9337 11.9337 13.6807 13.6807 k = 0.5000-0.0000-0.0000 ( 5230 PWs) bands (ev): -5.1221 -5.1221 -4.8243 -4.8243 2.2233 2.2233 2.7557 2.7557 2.9407 2.9407 3.2353 3.2353 3.2795 3.2795 3.5137 3.5137 3.7132 3.7132 3.9353 3.9353 4.2270 4.2270 4.3595 4.3595 4.4983 4.4983 4.5874 4.5874 4.6824 4.6824 4.8535 4.8535 4.9811 4.9811 5.2708 5.2708 5.7661 5.7661 6.1481 6.1481 6.3697 6.3697 6.7092 6.7092 7.0720 7.0720 10.7725 10.7725 11.1481 11.1481 11.3905 11.3905 11.9337 11.9337 13.6807 13.6807 k = 0.5000-0.0109 0.0109 ( 5230 PWs) bands (ev): -5.1218 -5.1217 -4.8242 -4.8241 2.2197 2.2252 2.7531 2.7567 2.9343 2.9457 3.2338 3.2380 3.2791 3.2812 3.5107 3.5154 3.7129 3.7139 3.9314 3.9393 4.2202 4.2319 4.3517 4.3674 4.4932 4.5029 4.5798 4.5956 4.6779 4.6871 4.8467 4.8599 4.9776 4.9840 5.2678 5.2750 5.7527 5.7706 6.1282 6.1687 6.3451 6.3961 6.7064 6.7183 7.0705 7.0761 10.7728 10.7766 11.1450 11.1480 11.3877 11.3919 11.9309 11.9376 13.6604 13.6687 k = 0.5000-0.0217 0.0217 ( 5230 PWs) bands (ev): -5.1207 -5.1205 -4.8237 -4.8235 2.2144 2.2254 2.7487 2.7558 2.9270 2.9491 3.2338 3.2413 3.2803 3.2843 3.5064 3.5158 3.7127 3.7147 3.9274 3.9432 4.2115 4.2348 4.3444 4.3748 4.4881 4.5062 4.5738 4.6037 4.6738 4.6920 4.8396 4.8656 4.9734 4.9862 5.2662 5.2801 5.7313 5.7658 6.1106 6.1872 6.3261 6.4207 6.7107 6.7335 7.0719 7.0829 10.7774 10.7850 11.1390 11.1450 11.3832 11.3918 11.9292 11.9427 13.6219 13.6340 k = 0.5000-0.0326 0.0326 ( 5226 PWs) bands (ev): -5.1189 -5.1185 -4.8229 -4.8227 2.2076 2.2239 2.7425 2.7531 2.9193 2.9508 3.2349 3.2443 3.2831 3.2887 3.5009 3.5152 3.7130 3.7157 3.9234 3.9469 4.2010 4.2356 4.3380 4.3815 4.4835 4.5073 4.5701 4.6112 4.6704 4.6969 4.8324 4.8705 4.9687 4.9876 5.2661 5.2858 5.7038 5.7523 6.0956 6.1995 6.3157 6.4402 6.7228 6.7547 7.0765 7.0928 10.7855 10.7971 11.1307 11.1395 11.3772 11.3901 11.9288 11.9488 13.5766 13.5922 k = 0.5000-0.0435 0.0435 ( 5222 PWs) bands (ev): -5.1163 -5.1158 -4.8217 -4.8214 2.1992 2.2207 2.7345 2.7485 2.9119 2.9511 3.2367 3.2467 3.2876 3.2946 3.4942 3.5138 3.7137 3.7169 3.9194 3.9506 4.1887 4.2345 4.3329 4.3870 4.4797 4.5059 4.5693 4.6174 4.6681 4.7018 4.8257 4.8744 4.9637 4.9883 5.2675 5.2916 5.6719 5.7314 6.0831 6.2037 6.3138 6.4529 6.7425 6.7819 7.0846 7.1064 10.7962 10.8120 11.1210 11.1328 11.3696 11.3868 11.9297 11.9559 13.5290 13.5493 k = 0.5000-0.0543 0.0543 ( 5226 PWs) bands (ev): -5.1129 -5.1124 -4.8203 -4.8199 2.1893 2.2159 2.7245 2.7421 2.9053 2.9506 3.2383 3.2485 3.2934 3.3015 3.4867 3.5120 3.7148 3.7182 3.9153 3.9540 4.1746 4.2315 4.3292 4.3911 4.4766 4.5025 4.5709 4.6220 4.6670 4.7067 4.8193 4.8771 4.9583 4.9883 5.2700 5.2971 5.6374 5.7046 6.0724 6.2011 6.3166 6.4587 6.7692 6.8135 7.0966 7.1248 10.8077 10.8278 11.1118 11.1264 11.3601 11.3818 11.9318 11.9642 13.4817 13.5073 k = 0.5000-0.0652 0.0652 ( 5224 PWs) bands (ev): -5.1089 -5.1082 -4.8185 -4.8181 2.1781 2.2095 2.7124 2.7339 2.8996 2.9496 3.2390 3.2499 3.3001 3.3090 3.4787 3.5101 3.7165 3.7200 3.9112 3.9571 4.1591 4.2271 4.3267 4.3933 4.4743 4.4983 4.5737 4.6251 4.6671 4.7117 4.8138 4.8787 4.9528 4.9876 5.2734 5.3019 5.6021 5.6738 6.0627 6.1949 6.3192 6.4589 6.8017 6.8469 7.1124 7.1494 10.8176 10.8422 11.1055 11.1230 11.3489 11.3751 11.9352 11.9735 13.4363 13.4676 k = 0.5000-0.0761 0.0761 ( 5228 PWs) bands (ev): -5.1041 -5.1034 -4.8164 -4.8159 2.1657 2.2017 2.6983 2.7240 2.8951 2.9487 3.2386 3.2510 3.3070 3.3165 3.4706 3.5087 3.7187 3.7222 3.9068 3.9599 4.1424 4.2216 4.3254 4.3935 4.4725 4.4946 4.5767 4.6271 4.6680 4.7167 4.8091 4.8789 4.9473 4.9865 5.2772 5.3056 5.5673 5.6404 6.0535 6.1865 6.3189 6.4544 6.8389 6.8791 7.1319 7.1817 10.8228 10.8517 11.1052 11.1255 11.3361 11.3668 11.9400 11.9839 13.3936 13.4310 k = 0.5000-0.0870 0.0870 ( 5224 PWs) bands (ev): -5.0986 -5.0978 -4.8141 -4.8135 2.1523 2.1924 2.6823 2.7125 2.8917 2.9483 3.2371 3.2515 3.3132 3.3238 3.4627 3.5081 3.7215 3.7249 3.9023 3.9623 4.1252 4.2155 4.3249 4.3916 4.4709 4.4923 4.5793 4.6286 4.6692 4.7217 4.8055 4.8778 4.9418 4.9850 5.2804 5.3080 5.5341 5.6060 6.0441 6.1763 6.3153 6.4459 6.8794 6.9082 7.1549 7.2220 10.8209 10.8531 11.1140 11.1365 11.3220 11.3572 11.9461 11.9956 13.3545 13.3980 k = 0.5000-0.0978 0.0978 ( 5230 PWs) bands (ev): -5.0925 -5.0916 -4.8115 -4.8109 2.1379 2.1820 2.6648 2.6995 2.8893 2.9484 3.2346 3.2514 3.3174 3.3308 3.4553 3.5087 3.7249 3.7284 3.8974 3.9640 4.1078 4.2089 4.3250 4.3879 4.4693 4.4915 4.5811 4.6301 4.6704 4.7265 4.8030 4.8753 4.9366 4.9833 5.2814 5.3096 5.5033 5.5717 6.0340 6.1641 6.3089 6.4340 6.9202 6.9349 7.1810 7.2691 10.8109 10.8454 11.1325 11.1568 11.3071 11.3471 11.9538 12.0085 13.3195 13.3691 k = 0.5000-0.1087 0.1087 ( 5230 PWs) bands (ev): -5.0857 -5.0847 -4.8086 -4.8079 2.1228 2.1704 2.6460 2.6850 2.8879 2.9493 3.2312 3.2507 3.3192 3.3375 3.4488 3.5106 3.7290 3.7327 3.8922 3.9650 4.0911 4.2022 4.3254 4.3828 4.4676 4.4920 4.5821 4.6316 4.6716 4.7311 4.8015 4.8717 4.9316 4.9816 5.2785 5.3114 5.4754 5.5391 6.0229 6.1496 6.3006 6.4193 6.9506 6.9690 7.2100 7.3211 10.7938 10.8297 11.1585 11.1843 11.2930 11.3381 11.9631 12.0227 13.2893 13.3446 k = 0.5000-0.1196 0.1196 ( 5238 PWs) bands (ev): -5.0783 -5.0772 -4.8056 -4.8048 2.1072 2.1580 2.6261 2.6691 2.8874 2.9507 3.2268 3.2493 3.3188 3.3431 3.4434 3.5136 3.7338 3.7378 3.8867 3.9649 4.0758 4.1954 4.3261 4.3768 4.4660 4.4933 4.5827 4.6329 4.6728 4.7351 4.8009 4.8672 4.9268 4.9798 5.2701 5.3139 5.4501 5.5094 6.0103 6.1327 6.2906 6.4022 6.9705 7.0096 7.2414 7.3755 10.7718 10.8086 11.1867 11.2129 11.2844 11.3337 11.9741 12.0383 13.2640 13.3248 k = 0.5000-0.1304 0.1304 ( 5230 PWs) bands (ev): -5.0703 -5.0692 -4.8023 -4.8015 2.0912 2.1448 2.6054 2.6519 2.8877 2.9525 3.2217 3.2473 3.3166 3.3473 3.4395 3.5175 3.7394 3.7440 3.8810 3.9633 4.0629 4.1889 4.3269 4.3704 4.4646 4.4948 4.5830 4.6337 4.6745 4.7386 4.8008 4.8623 4.9221 4.9782 5.2567 5.3165 5.4265 5.4844 5.9959 6.1135 6.2796 6.3833 6.9874 7.0490 7.2743 7.4302 10.7471 10.7846 11.2081 11.2278 11.2952 11.3409 11.9869 12.0554 13.2440 13.3098 k = 0.5000-0.1413 0.1413 ( 5226 PWs) bands (ev): -5.0618 -5.0605 -4.7988 -4.7980 2.0751 2.1311 2.5840 2.6335 2.8885 2.9545 3.2159 3.2449 3.3131 3.3493 3.4374 3.5218 3.7457 3.7511 3.8752 3.9601 4.0529 4.1826 4.3276 4.3641 4.4633 4.4962 4.5834 4.6338 4.6764 4.7414 4.8008 4.8575 4.9174 4.9768 5.2393 5.3178 5.4034 5.4652 5.9795 6.0921 6.2675 6.3631 7.0024 7.0855 7.3077 7.4830 10.7218 10.7601 11.2129 11.2271 11.3293 11.3658 12.0019 12.0740 13.2293 13.2997 k = 0.5000-0.1522 0.1522 ( 5230 PWs) bands (ev): -5.0528 -5.0514 -4.7952 -4.7943 2.0589 2.1172 2.5620 2.6141 2.8898 2.9561 3.2096 3.2418 3.3089 3.3491 3.4373 3.5261 3.7525 3.7591 3.8695 3.9552 4.0464 4.1767 4.3282 4.3580 4.4619 4.4973 4.5840 4.6335 4.6787 4.7435 4.8002 4.8534 4.9126 4.9756 5.2193 5.3156 5.3823 5.4513 5.9608 6.0687 6.2545 6.3422 7.0156 7.1182 7.3401 7.5323 10.6975 10.7367 11.2056 11.2228 11.3731 11.4045 12.0189 12.0942 13.2200 13.2945 k = 0.5000-0.1630 0.1630 ( 5234 PWs) bands (ev): -5.0432 -5.0419 -4.7915 -4.7905 2.0429 2.1030 2.5397 2.5938 2.8912 2.9571 3.2033 3.2383 3.3043 3.3468 3.4392 3.5302 3.7595 3.7679 3.8643 3.9490 4.0431 4.1713 4.3286 4.3525 4.4604 4.4979 4.5849 4.6329 4.6809 4.7449 4.7988 4.8504 4.9077 4.9746 5.1978 5.3067 5.3670 5.4412 5.9399 6.0436 6.2408 6.3211 7.0269 7.1467 7.3702 7.5765 10.6757 10.7160 11.1973 11.2171 11.4205 11.4497 12.0384 12.1161 13.2160 13.2942 k = 0.5000-0.1739 0.1739 ( 5230 PWs) bands (ev): -5.0333 -5.0318 -4.7876 -4.7866 2.0274 2.0890 2.5170 2.5727 2.8925 2.9569 3.1972 3.2340 3.2998 3.3432 3.4430 3.5340 3.7664 3.7773 3.8601 3.9423 4.0426 4.1665 4.3286 4.3479 4.4588 4.4982 4.5859 4.6324 4.6828 4.7457 4.7965 4.8487 4.9028 4.9738 5.1758 5.2896 5.3594 5.4334 5.9167 6.0166 6.2265 6.3002 7.0360 7.1704 7.3966 7.6142 10.6578 10.6995 11.1921 11.2131 11.4691 11.4972 12.0603 12.1397 13.2171 13.2987 k = 0.5000-0.1848 0.1848 ( 5222 PWs) bands (ev): -5.0229 -5.0214 -4.7837 -4.7827 2.0123 2.0753 2.4941 2.5511 2.8931 2.9549 3.1919 3.2290 3.2958 3.3391 3.4485 3.5376 3.7729 3.7870 3.8572 3.9361 4.0443 4.1624 4.3280 4.3443 4.4570 4.4982 4.5870 4.6321 4.6841 4.7459 4.7935 4.8479 4.8980 4.9732 5.1539 5.2677 5.3565 5.4269 5.8913 5.9879 6.2120 6.2799 7.0423 7.1889 7.4182 7.6444 10.6449 10.6882 11.1918 11.2134 11.5172 11.5446 12.0849 12.1651 13.2233 13.3081 k = 0.5000-0.1957 0.1957 ( 5220 PWs) bands (ev): -5.0122 -5.0107 -4.7797 -4.7786 1.9979 2.0620 2.4712 2.5291 2.8925 2.9505 3.1878 3.2229 3.2929 3.3352 3.4553 3.5412 3.7787 3.7965 3.8562 3.9308 4.0476 4.1590 4.3266 4.3418 4.4550 4.4981 4.5878 4.6323 4.6843 4.7458 4.7902 4.8473 4.8935 4.9726 5.1324 5.2441 5.3552 5.4211 5.8637 5.9573 6.1975 6.2605 7.0453 7.2017 7.4338 7.6661 10.6378 10.6830 11.1978 11.2200 11.5637 11.5904 12.1122 12.1923 13.2341 13.3222 k = 0.5000-0.2065 0.2065 ( 5220 PWs) bands (ev): -5.0013 -4.9997 -4.7757 -4.7746 1.9843 2.0493 2.4483 2.5068 2.8899 2.9434 3.1851 3.2161 3.2917 3.3323 3.4634 3.5450 3.7834 3.8051 3.8572 3.9270 4.0523 4.1563 4.3245 4.3404 4.4526 4.4979 4.5883 4.6330 4.6834 4.7454 4.7871 4.8462 4.8898 4.9720 5.1117 5.2206 5.3539 5.4155 5.8341 5.9249 6.1832 6.2423 7.0446 7.2084 7.4427 7.6787 10.6376 10.6847 11.2108 11.2342 11.6078 11.6338 12.1422 12.2214 13.2495 13.3411 k = 0.5000-0.2174 0.2174 ( 5220 PWs) bands (ev): -4.9900 -4.9884 -4.7717 -4.7706 1.9716 2.0374 2.4256 2.4845 2.8844 2.9332 3.1840 3.2094 3.2926 3.3311 3.4726 3.5493 3.7870 3.8123 3.8604 3.9250 4.0579 4.1545 4.3219 4.3397 4.4500 4.4978 4.5884 4.6341 4.6812 4.7450 4.7845 4.8439 4.8872 4.9712 5.0919 5.1979 5.3517 5.4100 5.8027 5.8907 6.1695 6.2254 7.0398 7.2087 7.4444 7.6819 10.6448 10.6939 11.2317 11.2572 11.6489 11.6741 12.1749 12.2525 13.2690 13.3644 k = 0.5000-0.2283 0.2283 ( 5196 PWs) bands (ev): -4.9786 -4.9769 -4.7677 -4.7665 1.9601 2.0264 2.4032 2.4622 2.8750 2.9202 3.1841 3.2041 3.2958 3.3317 3.4828 3.5544 3.7898 3.8181 3.8654 3.9250 4.0642 4.1537 4.3191 4.3398 4.4472 4.4978 4.5880 4.6354 4.6781 4.7447 4.7825 4.8403 4.8859 4.9703 5.0734 5.1768 5.3483 5.4044 5.7696 5.8549 6.1564 6.2101 7.0306 7.2025 7.4388 7.6757 10.6599 10.7108 11.2607 11.2893 11.6867 11.7109 12.2101 12.2856 13.2923 13.3922 k = 0.5000-0.2391 0.2391 ( 5200 PWs) bands (ev): -4.9670 -4.9653 -4.7637 -4.7626 1.9495 2.0163 2.3812 2.4400 2.8608 2.9044 3.1846 3.2020 3.3012 3.3344 3.4939 3.5602 3.7920 3.8221 3.8716 3.9269 4.0709 4.1537 4.3161 4.3402 4.4441 4.4977 4.5871 4.6361 4.6744 4.7441 4.7811 4.8353 4.8854 4.9687 5.0561 5.1572 5.3431 5.3985 5.7351 5.8176 6.1439 6.1965 7.0167 7.1895 7.4257 7.6602 10.6833 10.7357 11.2980 11.3305 11.7209 11.7439 12.2475 12.3206 13.3192 13.4240 k = 0.5000-0.2500 0.2500 ( 5184 PWs) bands (ev): -4.9553 -4.9536 -4.7598 -4.7586 1.9402 2.0073 2.3598 2.4182 2.8416 2.8860 3.1850 3.2043 3.3089 3.3392 3.5060 3.5670 3.7940 3.8251 3.8784 3.9306 4.0778 4.1547 4.3129 4.3411 4.4410 4.4978 4.5856 4.6358 4.6714 4.7431 4.7804 4.8297 4.8856 4.9666 5.0402 5.1397 5.3360 5.3922 5.6994 5.7790 6.1323 6.1848 6.9983 7.1701 7.4057 7.6361 10.7153 10.7685 11.3433 11.3804 11.7517 11.7732 12.2870 12.3576 13.3493 13.4594 k = 0.5000-0.2609 0.2609 ( 5204 PWs) bands (ev): -4.9436 -4.9419 -4.7560 -4.7548 1.9321 1.9994 2.3389 2.3968 2.8177 2.8649 3.1866 3.2101 3.3187 3.3461 3.5189 3.5746 3.7958 3.8273 3.8849 3.9356 4.0843 4.1566 4.3094 4.3424 4.4377 4.4978 4.5836 4.6334 4.6695 4.7412 4.7804 4.8235 4.8858 4.9634 5.0258 5.1242 5.3267 5.3852 5.6625 5.7394 6.1214 6.1748 6.9753 7.1444 7.3789 7.6040 10.7557 10.8092 11.3959 11.4382 11.7793 11.7990 12.3284 12.3966 13.3822 13.4979 k = 0.5000-0.2717 0.2717 ( 5204 PWs) bands (ev): -4.9319 -4.9302 -4.7522 -4.7511 1.9254 1.9928 2.3189 2.3759 2.7901 2.8410 3.1906 3.2184 3.3306 3.3550 3.5326 3.5833 3.7979 3.8292 3.8912 3.9417 4.0903 4.1597 4.3058 4.3443 4.4344 4.4978 4.5810 4.6291 4.6694 4.7383 4.7812 4.8174 4.8859 4.9592 5.0132 5.1111 5.3152 5.3771 5.6248 5.6989 6.1115 6.1669 6.9482 7.1130 7.3462 7.5649 10.8043 10.8574 11.4544 11.5026 11.8044 11.8218 12.3714 12.4379 13.4176 13.5387 k = 0.5000-0.2826 0.2826 ( 5212 PWs) bands (ev): -4.9202 -4.9186 -4.7486 -4.7475 1.9200 1.9873 2.2997 2.3557 2.7594 2.8144 3.1972 3.2284 3.3442 3.3659 3.5470 3.5928 3.8002 3.8313 3.8970 3.9484 4.0955 4.1637 4.3020 4.3467 4.4311 4.4976 4.5778 4.6232 4.6705 4.7345 4.7824 4.8115 4.8855 4.9539 5.0027 5.1002 5.3016 5.3678 5.5864 5.6579 6.1028 6.1609 6.9173 7.0765 7.3082 7.5198 10.8609 10.9129 11.5174 11.5720 11.8274 11.8423 12.4162 12.4817 13.4551 13.5810 k = 0.5000-0.2935 0.2935 ( 5216 PWs) bands (ev): -4.9087 -4.9071 -4.7451 -4.7440 1.9159 1.9832 2.2814 2.3362 2.7266 2.7854 3.2064 3.2400 3.3595 3.3787 3.5621 3.6032 3.8028 3.8337 3.9023 3.9555 4.0999 4.1685 4.2981 4.3495 4.4278 4.4973 4.5741 4.6164 4.6723 4.7300 4.7835 4.8064 4.8845 4.9475 4.9943 5.0913 5.2858 5.3568 5.5477 5.6165 6.0953 6.1568 6.8832 7.0356 7.2656 7.4696 10.9250 10.9752 11.5823 11.6439 11.8491 11.8620 12.4630 12.5287 13.4943 13.6235 k = 0.5000-0.3043 0.3043 ( 5216 PWs) bands (ev): -4.8974 -4.8958 -4.7418 -4.7407 1.9133 1.9803 2.2642 2.3176 2.6920 2.7544 3.2179 3.2531 3.3762 3.3932 3.5777 3.6142 3.8057 3.8369 3.9073 3.9629 4.1036 4.1737 4.2940 4.3528 4.4247 4.4968 4.5696 4.6094 4.6740 4.7251 4.7833 4.8027 4.8829 4.9406 4.9880 5.0841 5.2679 5.3437 5.5090 5.5750 6.0893 6.1545 6.8464 6.9912 7.2193 7.4155 10.9958 11.0438 11.6459 11.7147 11.8706 11.8840 12.5124 12.5796 13.5347 13.6652 k = 0.5000-0.3152 0.3152 ( 5220 PWs) bands (ev): -4.8863 -4.8847 -4.7386 -4.7375 1.9120 1.9787 2.2481 2.2998 2.6564 2.7220 3.2314 3.2674 3.3940 3.4092 3.5937 3.6258 3.8091 3.8408 3.9120 3.9704 4.1065 4.1790 4.2900 4.3563 4.4217 4.4960 4.5644 4.6025 4.6753 4.7203 4.7807 4.8015 4.8806 4.9334 4.9835 5.0781 5.2481 5.3282 5.4704 5.5335 6.0850 6.1540 6.8076 6.9442 7.1700 7.3582 11.0727 11.1181 11.7040 11.7778 11.8951 11.9126 12.5652 12.6355 13.5761 13.7054 k = 0.5000-0.3261 0.3261 ( 5228 PWs) bands (ev): -4.8755 -4.8739 -4.7356 -4.7345 1.9121 1.9784 2.2330 2.2829 2.6199 2.6884 3.2465 3.2829 3.4127 3.4266 3.6098 3.6378 3.8129 3.8458 3.9167 3.9780 4.1090 4.1841 4.2859 4.3600 4.4190 4.4948 4.5584 4.5962 4.6756 4.7155 4.7758 4.8022 4.8779 4.9266 4.9805 5.0726 5.2265 5.3101 5.4324 5.4925 6.0825 6.1553 6.7675 6.8953 7.1184 7.2988 11.1549 11.1975 11.7517 11.8234 11.9301 11.9514 12.6223 12.6975 13.6180 13.7442 k = 0.5000-0.3370 0.3370 ( 5224 PWs) bands (ev): -4.8650 -4.8635 -4.7327 -4.7317 1.9137 1.9794 2.2192 2.2671 2.5830 2.6541 3.2630 3.2995 3.4322 3.4452 3.6260 3.6502 3.8173 3.8518 3.9214 3.9858 4.1111 4.1889 4.2819 4.3637 4.4167 4.4931 4.5517 4.5906 4.6748 4.7109 4.7701 4.8036 4.8751 4.9202 4.9789 5.0671 5.2037 5.2892 5.3953 5.4521 6.0820 6.1584 6.7268 6.8455 7.0653 7.2381 11.2414 11.2811 11.7867 11.8486 11.9767 12.0013 12.6847 12.7665 13.6603 13.7820 k = 0.5000-0.3478 0.3478 ( 5224 PWs) bands (ev): -4.8550 -4.8535 -4.7300 -4.7290 1.9166 1.9817 2.2065 2.2523 2.5460 2.6195 3.2806 3.3170 3.4522 3.4647 3.6417 3.6625 3.8224 3.8589 3.9265 3.9939 4.1129 4.1933 4.2781 4.3671 4.4148 4.4907 4.5446 4.5858 4.6728 4.7058 4.7645 4.8046 4.8723 4.9143 4.9781 5.0605 5.1801 5.2657 5.3593 5.4127 6.0836 6.1632 6.6861 6.7957 7.0111 7.1766 11.3311 11.3682 11.8107 11.8622 12.0279 12.0562 12.7534 12.8434 13.7026 13.8192 k = 0.5000-0.3587 0.3587 ( 5224 PWs) bands (ev): -4.8453 -4.8439 -4.7275 -4.7265 1.9209 1.9852 2.1949 2.2385 2.5092 2.5847 3.2989 3.3352 3.4726 3.4850 3.6568 3.6748 3.8284 3.8668 3.9322 4.0026 4.1146 4.1973 4.2743 4.3699 4.4136 4.4873 4.5375 4.5818 4.6697 4.6999 4.7597 4.8048 4.8696 4.9092 4.9779 5.0517 5.1568 5.2398 5.3248 5.3750 6.0874 6.1698 6.6460 6.7467 6.9565 7.1152 11.4226 11.4579 11.8274 11.8706 12.0787 12.1094 12.8287 12.9283 13.7447 13.8561 k = 0.5000-0.3696 0.3696 ( 5228 PWs) bands (ev): -4.8362 -4.8349 -4.7251 -4.7243 1.9267 1.9900 2.1845 2.2258 2.4726 2.5501 3.3177 3.3539 3.4930 3.5057 3.6708 3.6868 3.8353 3.8756 3.9387 4.0118 4.1162 4.2009 4.2708 4.3720 4.4132 4.4827 4.5312 4.5784 4.6655 4.6931 4.7557 4.8036 4.8669 4.9048 4.9777 5.0396 5.1345 5.2123 5.2918 5.3395 6.0935 6.1780 6.6072 6.6992 6.9018 7.0544 11.5142 11.5490 11.8399 11.8773 12.1263 12.1575 12.9106 13.0208 13.7862 13.8930 k = 0.5000-0.3804 0.3804 ( 5224 PWs) bands (ev): -4.8276 -4.8264 -4.7230 -4.7222 1.9338 1.9960 2.1752 2.2142 2.4365 2.5159 3.3368 3.3726 3.5135 3.5267 3.6833 3.6983 3.8434 3.8848 3.9465 4.0220 4.1178 4.2044 4.2674 4.3731 4.4135 4.4766 4.5263 4.5753 4.6603 4.6859 4.7521 4.8010 4.8638 4.9013 4.9769 5.0234 5.1142 5.1841 5.2606 5.3071 6.1019 6.1879 6.5701 6.6538 6.8477 6.9945 11.6030 11.6403 11.8500 11.8850 12.1694 12.1996 12.9983 13.1198 13.8268 13.9300 k = 0.5000-0.3913 0.3913 ( 5224 PWs) bands (ev): -4.8196 -4.8184 -4.7210 -4.7202 1.9423 2.0031 2.1669 2.2040 2.4011 2.4823 3.3559 3.3910 3.5339 3.5475 3.6942 3.7090 3.8527 3.8941 3.9559 4.0331 4.1194 4.2077 4.2643 4.3731 4.4145 4.4690 4.5231 4.5724 4.6538 4.6790 4.7482 4.7968 4.8600 4.8983 4.9742 5.0041 5.0954 5.1561 5.2317 5.2784 6.1126 6.1995 6.5352 6.6112 6.7943 6.9361 11.6841 11.7294 11.8598 11.8985 12.2077 12.2358 13.0907 13.2241 13.8662 13.9671 k = 0.5000-0.4022 0.4022 ( 5228 PWs) bands (ev): -4.8122 -4.8112 -4.7192 -4.7185 1.9522 2.0114 2.1594 2.1950 2.3664 2.4494 3.3746 3.4086 3.5540 3.5679 3.7033 3.7187 3.8632 3.9031 3.9672 4.0453 4.1212 4.2108 4.2614 4.3722 4.4158 4.4606 4.5217 4.5694 4.6460 4.6730 4.7434 4.7907 4.8550 4.8950 4.9669 4.9860 5.0774 5.1289 5.2065 5.2541 6.1257 6.2126 6.5029 6.5719 6.7419 6.8794 11.7488 11.8074 11.8766 11.9261 12.2413 12.2666 13.1865 13.3321 13.9040 14.0043 k = 0.5000-0.4130 0.4130 ( 5220 PWs) bands (ev): -4.8055 -4.8046 -4.7176 -4.7170 1.9635 2.0206 2.1527 2.1876 2.3327 2.4174 3.3928 3.4252 3.5739 3.5874 3.7108 3.7270 3.8746 3.9117 3.9804 4.0588 4.1232 4.2136 4.2591 4.3705 4.4173 4.4519 4.5222 4.5662 4.6374 4.6681 4.7370 4.7828 4.8486 4.8892 4.9527 4.9749 5.0597 5.1026 5.1861 5.2342 6.1411 6.2272 6.4734 6.5365 6.6910 6.8248 11.7894 11.8429 11.9303 11.9742 12.2711 12.2932 13.2842 13.4421 13.9396 14.0413 k = 0.5000-0.4239 0.4239 ( 5232 PWs) bands (ev): -4.7995 -4.7987 -4.7162 -4.7156 1.9762 2.0307 2.1465 2.1819 2.3000 2.3865 3.4100 3.4402 3.5931 3.6056 3.7165 3.7336 3.8866 3.9195 3.9956 4.0731 4.1254 4.2152 4.2576 4.3679 4.4185 4.4436 4.5242 4.5626 4.6284 4.6636 4.7289 4.7730 4.8402 4.8777 4.9400 4.9669 5.0426 5.0774 5.1712 5.2185 6.1588 6.2431 6.4469 6.5053 6.6416 6.7724 11.8105 11.8497 12.0059 12.0365 12.2977 12.3163 13.3824 13.5525 13.9724 14.0780 k = 0.5000-0.4348 0.4348 ( 5226 PWs) bands (ev): -4.7942 -4.7935 -4.7150 -4.7145 1.9903 2.0416 2.1407 2.1783 2.2683 2.3568 3.4259 3.4534 3.6115 3.6224 3.7209 3.7386 3.8986 3.9267 4.0127 4.0881 4.1283 4.2148 4.2577 4.3646 4.4195 4.4365 4.5278 4.5589 4.6196 4.6594 4.7194 4.7611 4.8299 4.8602 4.9342 4.9598 5.0263 5.0540 5.1616 5.2063 6.1788 6.2599 6.4235 6.4791 6.5941 6.7226 11.8216 11.8510 12.0788 12.1008 12.3224 12.3372 13.4796 13.6621 14.0011 14.1139 k = 0.5000-0.4457 0.4457 ( 5238 PWs) bands (ev): -4.7897 -4.7891 -4.7139 -4.7135 2.0058 2.0529 2.1349 2.1769 2.2378 2.3285 3.4404 3.4644 3.6288 3.6373 3.7240 3.7417 3.9098 3.9329 4.0314 4.1029 4.1315 4.2112 4.2601 4.3603 4.4199 4.4308 4.5330 4.5552 4.6109 4.6549 4.7092 4.7470 4.8174 4.8409 4.9335 4.9538 5.0110 5.0331 5.1565 5.1968 6.2010 6.2771 6.4031 6.4586 6.5485 6.6754 11.8280 11.8504 12.1428 12.1593 12.3463 12.3570 13.5747 13.7693 14.0244 14.1485 k = 0.5000-0.4565 0.4565 ( 5242 PWs) bands (ev): -4.7860 -4.7854 -4.7131 -4.7127 2.0227 2.0643 2.1292 2.1783 2.2086 2.3017 3.4531 3.4731 3.6444 3.6502 3.7261 3.7430 3.9199 3.9381 4.0517 4.1167 4.1353 4.2037 4.2655 4.3549 4.4201 4.4264 4.5390 4.5524 4.6031 4.6506 4.6990 4.7304 4.8038 4.8240 4.9357 4.9497 4.9972 5.0150 5.1548 5.1891 6.2255 6.2938 6.3857 6.4447 6.5056 6.6311 11.8322 11.8491 12.1948 12.2070 12.3701 12.3768 13.6663 13.8730 14.0400 14.1809 k = 0.5000-0.4674 0.4674 ( 5236 PWs) bands (ev): -4.7830 -4.7826 -4.7124 -4.7121 2.0411 2.0754 2.1233 2.1802 2.1830 2.2768 3.4639 3.4793 3.6577 3.6609 3.7278 3.7426 3.9284 3.9420 4.0733 4.1284 4.1392 4.1923 4.2740 4.3478 4.4201 4.4232 4.5427 4.5525 4.5981 4.6471 4.6894 4.7114 4.7920 4.8105 4.9394 4.9478 4.9854 4.9996 5.1557 5.1826 6.2522 6.3087 6.3708 6.4359 6.4683 6.5899 11.8353 11.8475 12.2332 12.2419 12.3934 12.3966 13.7529 13.9711 14.0456 14.2101 k = 0.5000-0.4783 0.4783 ( 5232 PWs) bands (ev): -4.7809 -4.7806 -4.7119 -4.7117 2.0608 2.0858 2.1172 2.1539 2.1903 2.2540 3.4725 3.4830 3.6680 3.6692 3.7294 3.7407 3.9351 3.9443 4.0955 4.1371 4.1428 4.1775 4.2854 4.3385 4.4198 4.4209 4.5433 4.5538 4.5999 4.6440 4.6807 4.6916 4.7849 4.7996 4.9439 4.9477 4.9761 4.9868 5.1584 5.1769 6.2810 6.3209 6.3585 6.4148 6.4553 6.5521 11.8377 11.8457 12.2585 12.2642 12.4136 12.4146 13.8329 14.0290 14.0709 14.2342 k = 0.5000-0.4891 0.4891 ( 5232 PWs) bands (ev): -4.7796 -4.7794 -4.7115 -4.7115 2.0820 2.0951 2.1107 2.1285 2.2014 2.2335 3.4788 3.4841 3.6743 3.6745 3.7316 3.7378 3.9401 3.9447 4.1178 4.1425 4.1451 4.1597 4.2989 4.3268 4.4194 4.4196 4.5444 4.5514 4.6106 4.6384 4.6738 4.6758 4.7829 4.7911 4.9482 4.9490 4.9703 4.9767 5.1621 5.1716 6.3118 6.3303 6.3484 6.3804 6.4673 6.5184 11.8398 11.8438 12.2730 12.2758 12.4274 12.4275 13.9037 14.0056 14.1516 14.2459 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7791 -4.7791 -4.7114 -4.7114 2.1028 2.1028 2.1051 2.1051 2.2159 2.2159 3.4827 3.4827 3.6765 3.6765 3.7345 3.7345 3.9433 3.9433 4.1392 4.1392 4.1455 4.1455 4.3132 4.3132 4.4192 4.4192 4.5474 4.5474 4.6259 4.6259 4.6706 4.6706 4.7853 4.7853 4.9500 4.9500 4.9704 4.9704 5.1666 5.1666 6.3370 6.3370 6.3474 6.3474 6.4895 6.4895 11.8418 11.8418 12.2785 12.2785 12.4322 12.4322 13.9623 13.9623 14.2187 14.2187 Writing output data file Ag3SI.save init_run : 2.82s CPU 12.85s WALL ( 1 calls) electrons : 760.26s CPU 767.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.27s WALL ( 1 calls) Called by electrons: c_bands : 760.23s CPU 767.45s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.47s WALL ( 1 calls) newd : 0.36s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 359 calls) cegterg : 714.90s CPU 719.16s WALL ( 775 calls) Called by sum_band: Called by *egterg: h_psi : 289.44s CPU 297.05s WALL ( 12675 calls) s_psi : 37.84s CPU 38.30s WALL ( 12675 calls) g_psi : 0.91s CPU 0.92s WALL ( 11541 calls) cdiaghg : 280.49s CPU 277.66s WALL ( 11900 calls) cegterg:over : 67.22s CPU 64.55s WALL ( 11541 calls) cegterg:upda : 16.33s CPU 19.80s WALL ( 11541 calls) cegterg:last : 12.50s CPU 13.20s WALL ( 1852 calls) Called by h_psi: h_psi:vloc : 214.97s CPU 220.73s WALL ( 12675 calls) h_psi:vnl : 74.11s CPU 75.33s WALL ( 12675 calls) add_vuspsi : 26.92s CPU 30.85s WALL ( 12675 calls) General routines calbec : 47.14s CPU 44.38s WALL ( 12675 calls) fft : 0.21s CPU 1.10s WALL ( 15 calls) fftw : 206.91s CPU 212.13s WALL ( 1313788 calls) davcio : 0.04s CPU 1.68s WALL ( 718 calls) Parallel routines fft_scatter : 132.17s CPU 137.30s WALL ( 1313803 calls) PWSCF : 13m47.15s CPU 16m44.57s WALL This run was terminated on: 21:33:22 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=