Program PWSCF v.5.1.1 starts on 11Oct2015 at 21: 0:18 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) = 9.1978 a.u. unit-cell volume = 778.1360 (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)= 9.197826 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 0.19 Mb ( 228, 56) NL pseudopotentials 0.26 Mb ( 114, 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 0.78 Mb ( 228, 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 44.3 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.0 secs Computing kpt #: 3 total cpu time spent up to now is 52.9 secs Computing kpt #: 4 total cpu time spent up to now is 56.1 secs Computing kpt #: 5 total cpu time spent up to now is 59.2 secs Computing kpt #: 6 total cpu time spent up to now is 62.0 secs Computing kpt #: 7 total cpu time spent up to now is 64.9 secs Computing kpt #: 8 total cpu time spent up to now is 67.6 secs Computing kpt #: 9 total cpu time spent up to now is 70.2 secs Computing kpt #: 10 total cpu time spent up to now is 72.7 secs Computing kpt #: 11 total cpu time spent up to now is 75.1 secs Computing kpt #: 12 total cpu time spent up to now is 77.4 secs Computing kpt #: 13 total cpu time spent up to now is 80.2 secs Computing kpt #: 14 total cpu time spent up to now is 82.4 secs Computing kpt #: 15 total cpu time spent up to now is 84.6 secs Computing kpt #: 16 total cpu time spent up to now is 86.7 secs Computing kpt #: 17 total cpu time spent up to now is 88.8 secs Computing kpt #: 18 total cpu time spent up to now is 90.9 secs Computing kpt #: 19 total cpu time spent up to now is 93.0 secs Computing kpt #: 20 total cpu time spent up to now is 95.1 secs Computing kpt #: 21 total cpu time spent up to now is 97.3 secs Computing kpt #: 22 total cpu time spent up to now is 99.3 secs Computing kpt #: 23 total cpu time spent up to now is 101.3 secs Computing kpt #: 24 total cpu time spent up to now is 103.3 secs Computing kpt #: 25 total cpu time spent up to now is 105.4 secs Computing kpt #: 26 total cpu time spent up to now is 107.3 secs Computing kpt #: 27 total cpu time spent up to now is 109.3 secs Computing kpt #: 28 total cpu time spent up to now is 111.3 secs Computing kpt #: 29 total cpu time spent up to now is 113.3 secs Computing kpt #: 30 total cpu time spent up to now is 115.2 secs Computing kpt #: 31 total cpu time spent up to now is 117.2 secs Computing kpt #: 32 total cpu time spent up to now is 119.3 secs Computing kpt #: 33 total cpu time spent up to now is 121.3 secs Computing kpt #: 34 total cpu time spent up to now is 123.3 secs Computing kpt #: 35 total cpu time spent up to now is 125.3 secs Computing kpt #: 36 total cpu time spent up to now is 127.3 secs Computing kpt #: 37 total cpu time spent up to now is 129.3 secs Computing kpt #: 38 total cpu time spent up to now is 131.3 secs Computing kpt #: 39 total cpu time spent up to now is 133.3 secs Computing kpt #: 40 total cpu time spent up to now is 135.3 secs Computing kpt #: 41 total cpu time spent up to now is 137.3 secs Computing kpt #: 42 total cpu time spent up to now is 139.4 secs Computing kpt #: 43 total cpu time spent up to now is 141.4 secs Computing kpt #: 44 total cpu time spent up to now is 143.4 secs Computing kpt #: 45 total cpu time spent up to now is 145.5 secs Computing kpt #: 46 total cpu time spent up to now is 148.4 secs Computing kpt #: 47 total cpu time spent up to now is 151.5 secs Computing kpt #: 48 total cpu time spent up to now is 153.8 secs Computing kpt #: 49 total cpu time spent up to now is 155.7 secs Computing kpt #: 50 total cpu time spent up to now is 157.8 secs Computing kpt #: 51 total cpu time spent up to now is 159.6 secs Computing kpt #: 52 total cpu time spent up to now is 161.6 secs Computing kpt #: 53 total cpu time spent up to now is 163.5 secs Computing kpt #: 54 total cpu time spent up to now is 165.4 secs Computing kpt #: 55 total cpu time spent up to now is 167.3 secs Computing kpt #: 56 total cpu time spent up to now is 169.3 secs Computing kpt #: 57 total cpu time spent up to now is 171.3 secs Computing kpt #: 58 total cpu time spent up to now is 173.2 secs Computing kpt #: 59 total cpu time spent up to now is 175.1 secs Computing kpt #: 60 total cpu time spent up to now is 177.0 secs Computing kpt #: 61 total cpu time spent up to now is 179.1 secs Computing kpt #: 62 total cpu time spent up to now is 181.0 secs Computing kpt #: 63 total cpu time spent up to now is 183.1 secs Computing kpt #: 64 total cpu time spent up to now is 185.1 secs Computing kpt #: 65 total cpu time spent up to now is 187.6 secs Computing kpt #: 66 total cpu time spent up to now is 189.7 secs Computing kpt #: 67 total cpu time spent up to now is 191.7 secs Computing kpt #: 68 total cpu time spent up to now is 193.8 secs Computing kpt #: 69 total cpu time spent up to now is 195.8 secs Computing kpt #: 70 total cpu time spent up to now is 197.8 secs Computing kpt #: 71 total cpu time spent up to now is 199.8 secs Computing kpt #: 72 total cpu time spent up to now is 201.7 secs Computing kpt #: 73 total cpu time spent up to now is 203.7 secs Computing kpt #: 74 total cpu time spent up to now is 205.7 secs Computing kpt #: 75 total cpu time spent up to now is 207.6 secs Computing kpt #: 76 total cpu time spent up to now is 209.6 secs Computing kpt #: 77 total cpu time spent up to now is 211.5 secs Computing kpt #: 78 total cpu time spent up to now is 213.5 secs Computing kpt #: 79 total cpu time spent up to now is 215.4 secs Computing kpt #: 80 total cpu time spent up to now is 217.4 secs Computing kpt #: 81 total cpu time spent up to now is 219.3 secs Computing kpt #: 82 total cpu time spent up to now is 221.3 secs Computing kpt #: 83 total cpu time spent up to now is 223.4 secs Computing kpt #: 84 total cpu time spent up to now is 225.4 secs Computing kpt #: 85 total cpu time spent up to now is 227.3 secs Computing kpt #: 86 total cpu time spent up to now is 229.6 secs Computing kpt #: 87 total cpu time spent up to now is 231.6 secs Computing kpt #: 88 total cpu time spent up to now is 233.8 secs Computing kpt #: 89 total cpu time spent up to now is 235.9 secs Computing kpt #: 90 total cpu time spent up to now is 237.8 secs Computing kpt #: 91 total cpu time spent up to now is 239.8 secs Computing kpt #: 92 total cpu time spent up to now is 242.0 secs Computing kpt #: 93 total cpu time spent up to now is 244.0 secs Computing kpt #: 94 total cpu time spent up to now is 246.1 secs Computing kpt #: 95 total cpu time spent up to now is 248.1 secs Computing kpt #: 96 total cpu time spent up to now is 250.1 secs Computing kpt #: 97 total cpu time spent up to now is 252.1 secs Computing kpt #: 98 total cpu time spent up to now is 254.2 secs Computing kpt #: 99 total cpu time spent up to now is 256.2 secs Computing kpt #: 100 total cpu time spent up to now is 258.2 secs Computing kpt #: 101 total cpu time spent up to now is 260.3 secs Computing kpt #: 102 total cpu time spent up to now is 262.2 secs Computing kpt #: 103 total cpu time spent up to now is 264.3 secs Computing kpt #: 104 total cpu time spent up to now is 266.2 secs Computing kpt #: 105 total cpu time spent up to now is 268.2 secs Computing kpt #: 106 total cpu time spent up to now is 270.2 secs Computing kpt #: 107 total cpu time spent up to now is 272.3 secs Computing kpt #: 108 total cpu time spent up to now is 274.3 secs Computing kpt #: 109 total cpu time spent up to now is 276.2 secs Computing kpt #: 110 total cpu time spent up to now is 278.2 secs Computing kpt #: 111 total cpu time spent up to now is 280.1 secs Computing kpt #: 112 total cpu time spent up to now is 282.2 secs Computing kpt #: 113 total cpu time spent up to now is 284.2 secs Computing kpt #: 114 total cpu time spent up to now is 286.2 secs Computing kpt #: 115 total cpu time spent up to now is 288.3 secs Computing kpt #: 116 total cpu time spent up to now is 290.3 secs Computing kpt #: 117 total cpu time spent up to now is 292.3 secs Computing kpt #: 118 total cpu time spent up to now is 294.4 secs Computing kpt #: 119 total cpu time spent up to now is 296.5 secs Computing kpt #: 120 total cpu time spent up to now is 298.5 secs Computing kpt #: 121 total cpu time spent up to now is 300.4 secs Computing kpt #: 122 total cpu time spent up to now is 302.4 secs Computing kpt #: 123 total cpu time spent up to now is 304.3 secs Computing kpt #: 124 total cpu time spent up to now is 306.5 secs Computing kpt #: 125 total cpu time spent up to now is 308.5 secs Computing kpt #: 126 total cpu time spent up to now is 310.4 secs Computing kpt #: 127 total cpu time spent up to now is 312.4 secs Computing kpt #: 128 total cpu time spent up to now is 314.4 secs Computing kpt #: 129 total cpu time spent up to now is 316.4 secs Computing kpt #: 130 total cpu time spent up to now is 318.5 secs Computing kpt #: 131 total cpu time spent up to now is 320.8 secs Computing kpt #: 132 total cpu time spent up to now is 322.8 secs Computing kpt #: 133 total cpu time spent up to now is 324.9 secs Computing kpt #: 134 total cpu time spent up to now is 326.9 secs Computing kpt #: 135 total cpu time spent up to now is 328.9 secs Computing kpt #: 136 total cpu time spent up to now is 331.0 secs Computing kpt #: 137 total cpu time spent up to now is 333.1 secs Computing kpt #: 138 total cpu time spent up to now is 335.1 secs Computing kpt #: 139 total cpu time spent up to now is 337.2 secs Computing kpt #: 140 total cpu time spent up to now is 339.2 secs Computing kpt #: 141 total cpu time spent up to now is 341.3 secs Computing kpt #: 142 total cpu time spent up to now is 343.4 secs Computing kpt #: 143 total cpu time spent up to now is 345.6 secs Computing kpt #: 144 total cpu time spent up to now is 347.7 secs Computing kpt #: 145 total cpu time spent up to now is 349.7 secs Computing kpt #: 146 total cpu time spent up to now is 351.6 secs Computing kpt #: 147 total cpu time spent up to now is 353.4 secs Computing kpt #: 148 total cpu time spent up to now is 355.4 secs Computing kpt #: 149 total cpu time spent up to now is 357.3 secs Computing kpt #: 150 total cpu time spent up to now is 359.2 secs Computing kpt #: 151 total cpu time spent up to now is 361.1 secs Computing kpt #: 152 total cpu time spent up to now is 363.0 secs Computing kpt #: 153 total cpu time spent up to now is 364.8 secs Computing kpt #: 154 total cpu time spent up to now is 366.7 secs Computing kpt #: 155 total cpu time spent up to now is 368.5 secs Computing kpt #: 156 total cpu time spent up to now is 370.3 secs Computing kpt #: 157 total cpu time spent up to now is 372.2 secs Computing kpt #: 158 total cpu time spent up to now is 374.0 secs Computing kpt #: 159 total cpu time spent up to now is 375.8 secs Computing kpt #: 160 total cpu time spent up to now is 377.6 secs Computing kpt #: 161 total cpu time spent up to now is 379.4 secs Computing kpt #: 162 total cpu time spent up to now is 381.2 secs Computing kpt #: 163 total cpu time spent up to now is 383.0 secs Computing kpt #: 164 total cpu time spent up to now is 384.9 secs Computing kpt #: 165 total cpu time spent up to now is 386.8 secs Computing kpt #: 166 total cpu time spent up to now is 388.7 secs Computing kpt #: 167 total cpu time spent up to now is 390.6 secs Computing kpt #: 168 total cpu time spent up to now is 392.7 secs Computing kpt #: 169 total cpu time spent up to now is 395.0 secs Computing kpt #: 170 total cpu time spent up to now is 397.4 secs Computing kpt #: 171 total cpu time spent up to now is 399.6 secs Computing kpt #: 172 total cpu time spent up to now is 402.1 secs Computing kpt #: 173 total cpu time spent up to now is 404.7 secs Computing kpt #: 174 total cpu time spent up to now is 407.2 secs Computing kpt #: 175 total cpu time spent up to now is 409.7 secs Computing kpt #: 176 total cpu time spent up to now is 412.2 secs Computing kpt #: 177 total cpu time spent up to now is 414.7 secs Computing kpt #: 178 total cpu time spent up to now is 417.2 secs Computing kpt #: 179 total cpu time spent up to now is 419.5 secs Computing kpt #: 180 total cpu time spent up to now is 422.2 secs Computing kpt #: 181 total cpu time spent up to now is 425.3 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 432.1 secs Computing kpt #: 184 total cpu time spent up to now is 435.9 secs Computing kpt #: 185 total cpu time spent up to now is 439.9 secs Computing kpt #: 186 total cpu time spent up to now is 443.7 secs Computing kpt #: 187 total cpu time spent up to now is 447.9 secs Computing kpt #: 188 total cpu time spent up to now is 451.6 secs Computing kpt #: 189 total cpu time spent up to now is 454.9 secs Computing kpt #: 190 total cpu time spent up to now is 458.1 secs Computing kpt #: 191 total cpu time spent up to now is 461.2 secs Computing kpt #: 192 total cpu time spent up to now is 463.9 secs Computing kpt #: 193 total cpu time spent up to now is 466.5 secs Computing kpt #: 194 total cpu time spent up to now is 469.2 secs Computing kpt #: 195 total cpu time spent up to now is 471.8 secs Computing kpt #: 196 total cpu time spent up to now is 474.3 secs Computing kpt #: 197 total cpu time spent up to now is 476.9 secs Computing kpt #: 198 total cpu time spent up to now is 479.3 secs Computing kpt #: 199 total cpu time spent up to now is 481.8 secs Computing kpt #: 200 total cpu time spent up to now is 484.0 secs Computing kpt #: 201 total cpu time spent up to now is 486.6 secs Computing kpt #: 202 total cpu time spent up to now is 488.8 secs Computing kpt #: 203 total cpu time spent up to now is 490.9 secs Computing kpt #: 204 total cpu time spent up to now is 493.0 secs Computing kpt #: 205 total cpu time spent up to now is 495.0 secs Computing kpt #: 206 total cpu time spent up to now is 497.1 secs Computing kpt #: 207 total cpu time spent up to now is 499.1 secs Computing kpt #: 208 total cpu time spent up to now is 501.1 secs Computing kpt #: 209 total cpu time spent up to now is 503.1 secs Computing kpt #: 210 total cpu time spent up to now is 505.1 secs Computing kpt #: 211 total cpu time spent up to now is 507.2 secs Computing kpt #: 212 total cpu time spent up to now is 509.1 secs Computing kpt #: 213 total cpu time spent up to now is 511.2 secs Computing kpt #: 214 total cpu time spent up to now is 513.2 secs Computing kpt #: 215 total cpu time spent up to now is 515.2 secs Computing kpt #: 216 total cpu time spent up to now is 517.2 secs Computing kpt #: 217 total cpu time spent up to now is 519.2 secs Computing kpt #: 218 total cpu time spent up to now is 521.1 secs Computing kpt #: 219 total cpu time spent up to now is 523.0 secs Computing kpt #: 220 total cpu time spent up to now is 525.0 secs Computing kpt #: 221 total cpu time spent up to now is 527.0 secs Computing kpt #: 222 total cpu time spent up to now is 529.0 secs Computing kpt #: 223 total cpu time spent up to now is 531.0 secs Computing kpt #: 224 total cpu time spent up to now is 532.9 secs Computing kpt #: 225 total cpu time spent up to now is 535.1 secs Computing kpt #: 226 total cpu time spent up to now is 537.1 secs Computing kpt #: 227 total cpu time spent up to now is 539.2 secs Computing kpt #: 228 total cpu time spent up to now is 541.2 secs Computing kpt #: 229 total cpu time spent up to now is 543.3 secs Computing kpt #: 230 total cpu time spent up to now is 545.3 secs Computing kpt #: 231 total cpu time spent up to now is 547.3 secs Computing kpt #: 232 total cpu time spent up to now is 549.4 secs Computing kpt #: 233 total cpu time spent up to now is 551.4 secs Computing kpt #: 234 total cpu time spent up to now is 553.4 secs Computing kpt #: 235 total cpu time spent up to now is 555.5 secs Computing kpt #: 236 total cpu time spent up to now is 557.5 secs Computing kpt #: 237 total cpu time spent up to now is 559.6 secs Computing kpt #: 238 total cpu time spent up to now is 561.5 secs Computing kpt #: 239 total cpu time spent up to now is 563.5 secs Computing kpt #: 240 total cpu time spent up to now is 565.6 secs Computing kpt #: 241 total cpu time spent up to now is 567.6 secs Computing kpt #: 242 total cpu time spent up to now is 569.5 secs Computing kpt #: 243 total cpu time spent up to now is 571.5 secs Computing kpt #: 244 total cpu time spent up to now is 573.5 secs Computing kpt #: 245 total cpu time spent up to now is 575.5 secs Computing kpt #: 246 total cpu time spent up to now is 577.4 secs Computing kpt #: 247 total cpu time spent up to now is 579.4 secs Computing kpt #: 248 total cpu time spent up to now is 581.3 secs Computing kpt #: 249 total cpu time spent up to now is 583.4 secs Computing kpt #: 250 total cpu time spent up to now is 585.3 secs Computing kpt #: 251 total cpu time spent up to now is 587.3 secs Computing kpt #: 252 total cpu time spent up to now is 589.2 secs Computing kpt #: 253 total cpu time spent up to now is 591.3 secs Computing kpt #: 254 total cpu time spent up to now is 593.3 secs Computing kpt #: 255 total cpu time spent up to now is 595.4 secs Computing kpt #: 256 total cpu time spent up to now is 597.4 secs Computing kpt #: 257 total cpu time spent up to now is 599.4 secs Computing kpt #: 258 total cpu time spent up to now is 601.5 secs Computing kpt #: 259 total cpu time spent up to now is 603.5 secs Computing kpt #: 260 total cpu time spent up to now is 605.4 secs Computing kpt #: 261 total cpu time spent up to now is 607.3 secs Computing kpt #: 262 total cpu time spent up to now is 609.3 secs Computing kpt #: 263 total cpu time spent up to now is 611.2 secs Computing kpt #: 264 total cpu time spent up to now is 613.2 secs Computing kpt #: 265 total cpu time spent up to now is 615.1 secs Computing kpt #: 266 total cpu time spent up to now is 617.0 secs Computing kpt #: 267 total cpu time spent up to now is 619.6 secs Computing kpt #: 268 total cpu time spent up to now is 621.6 secs Computing kpt #: 269 total cpu time spent up to now is 623.6 secs Computing kpt #: 270 total cpu time spent up to now is 625.6 secs Computing kpt #: 271 total cpu time spent up to now is 627.6 secs Computing kpt #: 272 total cpu time spent up to now is 629.6 secs Computing kpt #: 273 total cpu time spent up to now is 631.6 secs Computing kpt #: 274 total cpu time spent up to now is 633.7 secs Computing kpt #: 275 total cpu time spent up to now is 635.7 secs Computing kpt #: 276 total cpu time spent up to now is 637.8 secs Computing kpt #: 277 total cpu time spent up to now is 640.0 secs Computing kpt #: 278 total cpu time spent up to now is 642.0 secs Computing kpt #: 279 total cpu time spent up to now is 644.2 secs Computing kpt #: 280 total cpu time spent up to now is 646.2 secs Computing kpt #: 281 total cpu time spent up to now is 648.3 secs Computing kpt #: 282 total cpu time spent up to now is 650.3 secs Computing kpt #: 283 total cpu time spent up to now is 652.5 secs Computing kpt #: 284 total cpu time spent up to now is 654.7 secs Computing kpt #: 285 total cpu time spent up to now is 656.8 secs Computing kpt #: 286 total cpu time spent up to now is 658.9 secs Computing kpt #: 287 total cpu time spent up to now is 661.0 secs Computing kpt #: 288 total cpu time spent up to now is 663.1 secs Computing kpt #: 289 total cpu time spent up to now is 665.2 secs Computing kpt #: 290 total cpu time spent up to now is 667.3 secs Computing kpt #: 291 total cpu time spent up to now is 669.4 secs Computing kpt #: 292 total cpu time spent up to now is 671.4 secs Computing kpt #: 293 total cpu time spent up to now is 673.5 secs Computing kpt #: 294 total cpu time spent up to now is 675.5 secs Computing kpt #: 295 total cpu time spent up to now is 677.5 secs Computing kpt #: 296 total cpu time spent up to now is 679.5 secs Computing kpt #: 297 total cpu time spent up to now is 681.5 secs Computing kpt #: 298 total cpu time spent up to now is 683.4 secs Computing kpt #: 299 total cpu time spent up to now is 685.4 secs Computing kpt #: 300 total cpu time spent up to now is 687.3 secs Computing kpt #: 301 total cpu time spent up to now is 689.3 secs Computing kpt #: 302 total cpu time spent up to now is 691.3 secs Computing kpt #: 303 total cpu time spent up to now is 693.3 secs Computing kpt #: 304 total cpu time spent up to now is 695.2 secs Computing kpt #: 305 total cpu time spent up to now is 697.3 secs Computing kpt #: 306 total cpu time spent up to now is 699.4 secs Computing kpt #: 307 total cpu time spent up to now is 701.5 secs Computing kpt #: 308 total cpu time spent up to now is 703.7 secs Computing kpt #: 309 total cpu time spent up to now is 705.8 secs Computing kpt #: 310 total cpu time spent up to now is 707.9 secs Computing kpt #: 311 total cpu time spent up to now is 710.0 secs Computing kpt #: 312 total cpu time spent up to now is 712.2 secs Computing kpt #: 313 total cpu time spent up to now is 714.3 secs Computing kpt #: 314 total cpu time spent up to now is 716.4 secs Computing kpt #: 315 total cpu time spent up to now is 718.5 secs Computing kpt #: 316 total cpu time spent up to now is 720.5 secs Computing kpt #: 317 total cpu time spent up to now is 722.5 secs Computing kpt #: 318 total cpu time spent up to now is 724.5 secs Computing kpt #: 319 total cpu time spent up to now is 726.4 secs Computing kpt #: 320 total cpu time spent up to now is 728.4 secs Computing kpt #: 321 total cpu time spent up to now is 730.2 secs Computing kpt #: 322 total cpu time spent up to now is 732.2 secs Computing kpt #: 323 total cpu time spent up to now is 734.2 secs Computing kpt #: 324 total cpu time spent up to now is 736.1 secs Computing kpt #: 325 total cpu time spent up to now is 738.0 secs Computing kpt #: 326 total cpu time spent up to now is 740.0 secs Computing kpt #: 327 total cpu time spent up to now is 742.0 secs Computing kpt #: 328 total cpu time spent up to now is 744.0 secs Computing kpt #: 329 total cpu time spent up to now is 746.1 secs Computing kpt #: 330 total cpu time spent up to now is 748.9 secs Computing kpt #: 331 total cpu time spent up to now is 751.9 secs Computing kpt #: 332 total cpu time spent up to now is 754.4 secs Computing kpt #: 333 total cpu time spent up to now is 756.4 secs Computing kpt #: 334 total cpu time spent up to now is 758.4 secs Computing kpt #: 335 total cpu time spent up to now is 760.4 secs Computing kpt #: 336 total cpu time spent up to now is 762.4 secs Computing kpt #: 337 total cpu time spent up to now is 764.5 secs Computing kpt #: 338 total cpu time spent up to now is 766.6 secs Computing kpt #: 339 total cpu time spent up to now is 768.7 secs Computing kpt #: 340 total cpu time spent up to now is 770.7 secs Computing kpt #: 341 total cpu time spent up to now is 772.8 secs Computing kpt #: 342 total cpu time spent up to now is 774.8 secs Computing kpt #: 343 total cpu time spent up to now is 776.9 secs Computing kpt #: 344 total cpu time spent up to now is 779.0 secs Computing kpt #: 345 total cpu time spent up to now is 781.0 secs Computing kpt #: 346 total cpu time spent up to now is 783.1 secs Computing kpt #: 347 total cpu time spent up to now is 785.0 secs Computing kpt #: 348 total cpu time spent up to now is 787.0 secs Computing kpt #: 349 total cpu time spent up to now is 789.0 secs Computing kpt #: 350 total cpu time spent up to now is 791.0 secs Computing kpt #: 351 total cpu time spent up to now is 793.0 secs Computing kpt #: 352 total cpu time spent up to now is 795.0 secs Computing kpt #: 353 total cpu time spent up to now is 796.9 secs Computing kpt #: 354 total cpu time spent up to now is 798.9 secs Computing kpt #: 355 total cpu time spent up to now is 800.8 secs Computing kpt #: 356 total cpu time spent up to now is 802.7 secs Computing kpt #: 357 total cpu time spent up to now is 804.5 secs Computing kpt #: 358 total cpu time spent up to now is 806.5 secs Computing kpt #: 359 total cpu time spent up to now is 808.4 secs ethr = 2.17E-11, avg # of iterations = 32.2 total cpu time spent up to now is 808.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4652 -5.4652 -4.6634 -4.6634 2.9807 2.9807 3.0335 3.0335 3.1481 3.1481 3.5005 3.5005 3.5616 3.5616 3.5649 3.5649 3.7861 3.7861 3.8873 3.8873 4.0112 4.0112 4.3754 4.3754 4.4521 4.4521 4.5791 4.5791 4.7740 4.7740 4.8826 4.8826 4.9942 4.9942 5.1719 5.1719 5.3525 5.3525 5.4576 5.4576 6.9265 6.9265 7.2315 7.2315 7.2802 7.2802 8.2198 8.2198 9.8870 9.8870 9.9031 9.9031 14.8245 14.8245 15.0584 15.0584 k = 0.0089-0.0089 0.0089 ( 5191 PWs) bands (ev): -5.4646 -5.4645 -4.6635 -4.6634 2.9663 2.9838 3.0176 3.0564 3.1297 3.1671 3.4933 3.5054 3.5548 3.5603 3.5648 3.5728 3.7826 3.7891 3.8861 3.8873 4.0045 4.0175 4.3653 4.3836 4.4474 4.4560 4.5723 4.5862 4.7648 4.7821 4.8795 4.8855 4.9761 5.0077 5.1631 5.1866 5.3483 5.3624 5.4547 5.4606 6.9152 6.9346 7.2192 7.2378 7.2705 7.2837 8.2280 8.2312 9.8848 9.8959 9.9015 9.9122 14.7942 14.8187 15.0399 15.0707 k = 0.0179-0.0179 0.0179 ( 5203 PWs) bands (ev): -5.4629 -5.4627 -4.6638 -4.6635 2.9444 2.9720 3.0141 3.0807 3.1123 3.1865 3.4845 3.5072 3.5464 3.5583 3.5671 3.5811 3.7786 3.7918 3.8842 3.8859 3.9975 4.0232 4.3537 4.3897 4.4431 4.4580 4.5659 4.5934 4.7550 4.7887 4.8761 4.8878 4.9572 5.0141 5.1609 5.2045 5.3510 5.3774 5.4516 5.4642 6.9003 6.9393 7.1993 7.2339 7.2619 7.2822 8.2551 8.2609 9.8894 9.9061 9.9124 9.9283 14.7355 14.7770 15.0186 15.0468 k = 0.0268-0.0268 0.0268 ( 5209 PWs) bands (ev): -5.4600 -5.4598 -4.6643 -4.6639 2.9177 2.9529 3.0149 3.0927 3.1080 3.2062 3.4746 3.5050 3.5390 3.5563 3.5695 3.5888 3.7741 3.7942 3.8816 3.8831 3.9903 4.0284 4.3405 4.3929 4.4408 4.4577 4.5601 4.6007 4.7452 4.7932 4.8725 4.8894 4.9407 5.0139 5.1629 5.2218 5.3625 5.3962 5.4485 5.4703 6.8810 6.9401 7.1695 7.2188 7.2587 7.2809 8.2988 8.3066 9.9008 9.9188 9.9345 9.9515 14.6564 14.7078 14.9831 15.0099 k = 0.0357-0.0357 0.0357 ( 5203 PWs) bands (ev): -5.4559 -5.4556 -4.6649 -4.6643 2.8882 2.9307 3.0147 3.0774 3.1312 3.2258 3.4638 3.4983 3.5331 3.5540 3.5719 3.5957 3.7693 3.7966 3.8770 3.8805 3.9829 4.0329 4.3259 4.3931 4.4413 4.4550 4.5553 4.6079 4.7359 4.7955 4.8687 4.8895 4.9293 5.0102 5.1655 5.2349 5.3833 5.4154 5.4468 5.4825 6.8562 6.9355 7.1317 7.2015 7.2546 7.2839 8.3562 8.3653 9.9191 9.9384 9.9631 9.9814 14.5624 14.6192 14.9250 14.9629 k = 0.0446-0.0446 0.0446 ( 5221 PWs) bands (ev): -5.4507 -5.4503 -4.6656 -4.6649 2.8569 2.9062 3.0124 3.0612 3.1546 3.2451 3.4522 3.4878 3.5282 3.5510 3.5739 3.6014 3.7641 3.7993 3.8702 3.8784 3.9751 4.0366 4.3101 4.3909 4.4439 4.4500 4.5513 4.6143 4.7274 4.7952 4.8645 4.8876 4.9238 5.0054 5.1665 5.2423 5.4061 5.4281 5.4540 5.5058 6.8249 6.9231 7.0913 7.1865 7.2493 7.2901 8.4244 8.4342 9.9440 9.9650 9.9979 10.0178 14.4575 14.5170 14.8462 14.8976 k = 0.0536-0.0536 0.0536 ( 5215 PWs) bands (ev): -5.4443 -5.4439 -4.6665 -4.6657 2.8244 2.8797 3.0080 3.0453 3.1770 3.2639 3.4398 3.4748 3.5234 3.5475 3.5755 3.6054 3.7586 3.8026 3.8620 3.8767 3.9671 4.0396 4.2938 4.3873 4.4431 4.4484 4.5483 4.6199 4.7204 4.7931 4.8603 4.8851 4.9228 5.0014 5.1655 5.2455 5.4173 5.4300 5.4848 5.5407 6.7868 6.8997 7.0549 7.1761 7.2440 7.2979 8.5010 8.5111 9.9756 9.9984 10.0387 10.0604 14.3448 14.4055 14.7506 14.8119 k = 0.0625-0.0625 0.0625 ( 5209 PWs) bands (ev): -5.4368 -5.4364 -4.6674 -4.6666 2.7910 2.8514 3.0012 3.0294 3.1983 3.2817 3.4266 3.4602 3.5179 3.5435 3.5766 3.6076 3.7528 3.8066 3.8530 3.8752 3.9589 4.0416 4.2776 4.3830 4.4358 4.4527 4.5463 4.6239 4.7152 4.7896 4.8564 4.8829 4.9240 4.9988 5.1629 5.2458 5.4178 5.4287 5.5298 5.5837 6.7427 6.8636 7.0271 7.1708 7.2391 7.3067 8.5842 8.5944 10.0136 10.0385 10.0852 10.1088 14.2268 14.2878 14.6428 14.7097 k = 0.0714-0.0714 0.0714 ( 5209 PWs) bands (ev): -5.4283 -5.4277 -4.6685 -4.6676 2.7568 2.8215 2.9921 3.0137 3.2182 3.2983 3.4125 3.4444 3.5112 3.5393 3.5768 3.6079 3.7467 3.8112 3.8440 3.8738 3.9507 4.0428 4.2621 4.3781 4.4283 4.4569 4.5449 4.6262 4.7119 4.7854 4.8529 4.8815 4.9258 4.9977 5.1593 5.2444 5.4140 5.4266 5.5798 5.6323 6.6938 6.8168 7.0080 7.1700 7.2346 7.3164 8.6723 8.6826 10.0577 10.0850 10.1370 10.1627 14.1057 14.1662 14.5272 14.5969 k = 0.0804-0.0804 0.0804 ( 5221 PWs) bands (ev): -5.4186 -5.4180 -4.6697 -4.6687 2.7220 2.7903 2.9802 2.9983 3.2363 3.3131 3.3974 3.4278 3.5032 3.5352 3.5762 3.6064 3.7403 3.8151 3.8365 3.8723 3.9430 4.0430 4.2475 4.3725 4.4214 4.4605 4.5441 4.6268 4.7101 4.7810 4.8501 4.8807 4.9275 4.9977 5.1556 5.2419 5.4088 5.4234 5.6314 5.6849 6.6419 6.7641 6.9947 7.1723 7.2305 7.3268 8.7644 8.7749 10.1077 10.1377 10.1940 10.2217 13.9832 14.0429 14.4074 14.4780 k = 0.0893-0.0893 0.0893 ( 5224 PWs) bands (ev): -5.4080 -5.4073 -4.6710 -4.6698 2.6866 2.7580 2.9656 2.9833 3.2523 3.3256 3.3815 3.4113 3.4939 3.5315 3.5746 3.6037 3.7336 3.8145 3.8344 3.8710 3.9364 4.0424 4.2341 4.3665 4.4155 4.4636 4.5439 4.6263 4.7094 4.7767 4.8481 4.8804 4.9290 4.9983 5.1523 5.2390 5.4030 5.4195 5.6827 5.7404 6.5886 6.7092 6.9849 7.1762 7.2275 7.3378 8.8597 8.8704 10.1634 10.1963 10.2556 10.2853 13.8608 13.9193 14.2859 14.3566 k = 0.0982-0.0982 0.0982 ( 5218 PWs) bands (ev): -5.3964 -5.3956 -4.6724 -4.6711 2.6509 2.7248 2.9488 2.9682 3.2651 3.3347 3.3648 3.3963 3.4838 3.5279 3.5720 3.6005 3.7267 3.8088 3.8384 3.8699 3.9315 4.0408 4.2220 4.3604 4.4104 4.4659 4.5441 4.6250 4.7092 4.7724 4.8467 4.8805 4.9303 4.9987 5.1501 5.2360 5.3972 5.4152 5.7326 5.7973 6.5355 6.6550 6.9771 7.1797 7.2266 7.3496 8.9576 8.9687 10.2243 10.2606 10.3217 10.3531 13.7396 13.7967 14.1649 14.2348 k = 0.1071-0.1071 0.1071 ( 5212 PWs) bands (ev): -5.3838 -5.3830 -4.6737 -4.6724 2.6148 2.6907 2.9304 2.9522 3.2730 3.3389 3.3477 3.3854 3.4734 3.5242 3.5686 3.5971 3.7197 3.8017 3.8439 3.8697 3.9284 4.0385 4.2111 4.3544 4.4060 4.4674 4.5447 4.6235 4.7088 4.7682 4.8457 4.8807 4.9317 4.9984 5.1491 5.2332 5.3915 5.4105 5.7801 5.8542 6.4840 6.6037 6.9706 7.1805 7.2291 7.3620 9.0576 9.0691 10.2902 10.3300 10.3919 10.4248 13.6208 13.6761 14.0457 14.1142 k = 0.1161-0.1161 0.1161 ( 5212 PWs) bands (ev): -5.3703 -5.3695 -4.6752 -4.6738 2.5784 2.6560 2.9106 2.9350 3.2729 3.3269 3.3423 3.3807 3.4631 3.5198 3.5646 3.5939 3.7127 3.7950 3.8485 3.8710 3.9274 4.0354 4.2012 4.3488 4.4021 4.4682 4.5457 4.6221 4.7082 4.7639 4.8449 4.8810 4.9333 4.9971 5.1492 5.2309 5.3859 5.4058 5.8241 5.9089 6.4353 6.5573 6.9649 7.1775 7.2354 7.3751 9.1592 9.1713 10.3607 10.4044 10.4658 10.4999 13.5050 13.5583 13.9294 13.9958 k = 0.1250-0.1250 0.1250 ( 5212 PWs) bands (ev): -5.3560 -5.3551 -4.6766 -4.6752 2.5419 2.6208 2.8898 2.9164 3.2636 3.3061 3.3450 3.3801 3.4535 3.5145 3.5603 3.5912 3.7060 3.7892 3.8515 3.8741 3.9284 4.0317 4.1924 4.3438 4.3984 4.4681 4.5472 4.6208 4.7071 4.7596 4.8438 4.8810 4.9352 4.9948 5.1503 5.2294 5.3806 5.4012 5.8628 5.9592 6.3910 6.5187 6.9597 7.1712 7.2445 7.3888 9.2622 9.2747 10.4354 10.4831 10.5432 10.5780 13.3932 13.4439 13.8168 13.8803 k = 0.1339-0.1339 0.1339 ( 5218 PWs) bands (ev): -5.3409 -5.3399 -4.6781 -4.6766 2.5052 2.5852 2.8679 2.8963 3.2474 3.2837 3.3501 3.3801 3.4450 3.5079 3.5553 3.5893 3.6996 3.7845 3.8533 3.8782 3.9311 4.0279 4.1846 4.3395 4.3949 4.4673 4.5493 4.6198 4.7056 4.7552 4.8421 4.8806 4.9378 4.9916 5.1519 5.2289 5.3756 5.3970 5.8942 6.0017 6.3530 6.4909 6.9548 7.1626 7.2552 7.4033 9.3661 9.3792 10.5140 10.5658 10.6237 10.6587 13.2857 13.3336 13.7086 13.7680 k = 0.1429-0.1429 0.1429 ( 5227 PWs) bands (ev): -5.3250 -5.3239 -4.6795 -4.6780 2.4684 2.5493 2.8449 2.8747 3.2273 3.2604 3.3561 3.3793 3.4376 3.5003 3.5492 3.5881 3.6939 3.7812 3.8543 3.8827 3.9352 4.0243 4.1779 4.3357 4.3918 4.4659 4.5520 4.6189 4.7038 4.7508 4.8394 4.8795 4.9412 4.9876 5.1535 5.2294 5.3708 5.3933 5.9158 6.0321 6.3241 6.4773 6.9504 7.1521 7.2666 7.4185 9.4705 9.4844 10.5960 10.6518 10.7072 10.7416 13.1830 13.2277 13.6050 13.6586 k = 0.1518-0.1518 0.1518 ( 5215 PWs) bands (ev): -5.3085 -5.3073 -4.6809 -4.6793 2.4318 2.5133 2.8212 2.8518 3.2052 3.2367 3.3618 3.3776 3.4316 3.4918 3.5419 3.5871 3.6892 3.7794 3.8545 3.8877 3.9400 4.0219 4.1723 4.3324 4.3892 4.4640 4.5554 4.6182 4.7019 4.7465 4.8358 4.8776 4.9455 4.9832 5.1549 5.2308 5.3665 5.3904 5.9256 6.0464 6.3076 6.4800 6.9464 7.1401 7.2782 7.4346 9.5750 9.5900 10.6809 10.7405 10.7933 10.8263 13.0855 13.1263 13.5056 13.5508 k = 0.1607-0.1607 0.1607 ( 5215 PWs) bands (ev): -5.2913 -5.2901 -4.6822 -4.6806 2.3953 2.4772 2.7965 2.8276 3.1819 3.2131 3.3660 3.3758 3.4268 3.4824 3.5337 3.5851 3.6860 3.7789 3.8538 3.8931 3.9446 4.0215 4.1679 4.3294 4.3872 4.4618 4.5592 4.6174 4.6998 4.7423 4.8311 4.8749 4.9502 4.9785 5.1558 5.2328 5.3625 5.3883 5.9233 6.0431 6.3050 6.4977 6.9430 7.1267 7.2896 7.4517 9.6791 9.6960 10.7682 10.8310 10.8819 10.9127 12.9929 13.0294 13.4072 13.4418 k = 0.1696-0.1696 0.1696 ( 5215 PWs) bands (ev): -5.2735 -5.2722 -4.6835 -4.6819 2.3591 2.4413 2.7710 2.8022 3.1582 3.1898 3.3663 3.3763 3.4233 3.4719 3.5252 3.5809 3.6848 3.7794 3.8522 3.8988 3.9485 4.0238 4.1647 4.3265 4.3858 4.4595 4.5635 4.6166 4.6977 4.7381 4.8254 4.8716 4.9546 4.9742 5.1563 5.2351 5.3590 5.3871 5.9105 6.0253 6.3139 6.5262 6.9405 7.1123 7.3005 7.4698 9.7821 9.8019 10.8572 10.9224 10.9726 11.0004 12.9048 12.9365 13.2950 13.3278 k = 0.1786-0.1786 0.1786 ( 5221 PWs) bands (ev): -5.2553 -5.2539 -4.6847 -4.6831 2.3233 2.4055 2.7449 2.7759 3.1342 3.1670 3.3630 3.3789 3.4209 3.4601 3.5169 3.5742 3.6858 3.7805 3.8499 3.9041 3.9519 4.0293 4.1629 4.3236 4.3851 4.4572 4.5681 4.6158 4.6955 4.7340 4.8189 4.8677 4.9564 4.9723 5.1563 5.2372 5.3561 5.3866 5.8902 5.9984 6.3295 6.5602 6.9391 7.0971 7.3111 7.4889 9.8838 9.9075 10.9472 11.0138 11.0646 11.0898 12.8193 12.8467 13.1586 13.2002 k = 0.1875-0.1875 0.1875 ( 5227 PWs) bands (ev): -5.2367 -5.2352 -4.6858 -4.6841 2.2879 2.3701 2.7182 2.7487 3.1102 3.1450 3.3583 3.3816 3.4196 3.4469 3.5094 3.5651 3.6890 3.7815 3.8476 3.9082 3.9558 4.0376 4.1625 4.3206 4.3851 4.4552 4.5729 4.6149 4.6934 4.7299 4.8118 4.8635 4.9533 4.9750 5.1560 5.2386 5.3538 5.3868 5.8651 5.9666 6.3476 6.5947 6.9393 7.0814 7.3215 7.5091 9.9834 10.0123 11.0372 11.1042 11.1563 11.1813 12.7321 12.7583 13.0211 13.0686 k = 0.1964-0.1964 0.1964 ( 5224 PWs) bands (ev): -5.2177 -5.2161 -4.6867 -4.6851 2.2532 2.3352 2.6911 2.7210 3.0862 3.1236 3.3531 3.3835 3.4194 3.4326 3.5026 3.5546 3.6937 3.7822 3.8455 3.9107 3.9613 4.0479 4.1639 4.3177 4.3858 4.4534 4.5780 4.6140 4.6915 4.7257 4.8045 4.8589 4.9475 4.9801 5.1555 5.2392 5.3523 5.3875 5.8373 5.9326 6.3649 6.6255 6.9414 7.0658 7.3320 7.5304 10.0807 10.1159 11.1262 11.1926 11.2465 11.2751 12.6370 12.6681 12.9013 12.9497 k = 0.2054-0.2054 0.2054 ( 5212 PWs) bands (ev): -5.1984 -5.1967 -4.6875 -4.6859 2.2192 2.3010 2.6637 2.6930 3.0622 3.1030 3.3471 3.3842 3.4154 3.4226 3.4964 3.5440 3.6994 3.7821 3.8441 3.9120 3.9685 4.0594 4.1672 4.3149 4.3870 4.4521 4.5831 4.6133 4.6898 4.7214 4.7971 4.8541 4.9407 4.9855 5.1547 5.2387 5.3516 5.3887 5.8082 5.8977 6.3797 6.6493 6.9449 7.0512 7.3431 7.5525 10.1750 10.2177 11.2128 11.2779 11.3346 11.3700 12.5313 12.5715 12.8094 12.8529 k = 0.2143-0.2143 0.2143 ( 5217 PWs) bands (ev): -5.1789 -5.1771 -4.6882 -4.6865 2.1860 2.2675 2.6362 2.6646 3.0382 3.0828 3.3404 3.3822 3.4015 3.4247 3.4903 3.5346 3.7055 3.7812 3.8433 3.9128 3.9768 4.0712 4.1725 4.3121 4.3884 4.4512 4.5881 4.6128 4.6883 4.7167 4.7898 4.8491 4.9334 4.9907 5.1536 5.2370 5.3516 5.3899 5.7785 5.8628 6.3906 6.6639 6.9485 7.0384 7.3554 7.5750 10.2659 10.3170 11.2956 11.3583 11.4209 11.4634 12.4198 12.4689 12.7462 12.7808 k = 0.2232-0.2232 0.2232 ( 5217 PWs) bands (ev): -5.1592 -5.1574 -4.6887 -4.6870 2.1539 2.2349 2.6086 2.6363 3.0140 3.0630 3.3325 3.3730 3.3929 3.4288 3.4844 3.5275 3.7118 3.7798 3.8434 3.9137 3.9858 4.0827 4.1803 4.3094 4.3899 4.4508 4.5928 4.6128 4.6871 4.7118 4.7831 4.8438 4.9260 4.9953 5.1522 5.2340 5.3522 5.3912 5.7489 5.8283 6.3971 6.6687 6.9497 7.0285 7.3695 7.5974 10.3527 10.4130 11.3731 11.4321 11.5047 11.5523 12.3118 12.3679 12.7058 12.7316 k = 0.2321-0.2321 0.2321 ( 5205 PWs) bands (ev): -5.1396 -5.1377 -4.6890 -4.6874 2.1229 2.2034 2.5812 2.6081 2.9895 3.0432 3.3234 3.3571 3.3907 3.4342 3.4788 3.5233 3.7180 3.7782 3.8440 3.9154 3.9949 4.0934 4.1906 4.3070 4.3915 4.4509 4.5968 4.6139 4.6860 4.7066 4.7770 4.8386 4.9188 4.9992 5.1506 5.2299 5.3532 5.3923 5.7197 5.7943 6.3990 6.6643 6.9463 7.0217 7.3855 7.6191 10.4348 10.5046 11.4435 11.4969 11.5840 11.6325 12.2167 12.2779 12.6821 12.7041 k = 0.2411-0.2411 0.2411 ( 5205 PWs) bands (ev): -5.1199 -5.1179 -4.6891 -4.6875 2.0931 2.1731 2.5539 2.5801 2.9644 3.0230 3.3131 3.3396 3.3904 3.4406 3.4742 3.5216 3.7240 3.7768 3.8449 3.9177 4.0039 4.1030 4.2032 4.3049 4.3930 4.4514 4.5995 4.6164 4.6847 4.7015 4.7716 4.8334 4.9116 5.0023 5.1486 5.2246 5.3543 5.3931 5.6908 5.7610 6.3965 6.6518 6.9380 7.0159 7.4031 7.6391 10.5115 10.5908 11.5044 11.5496 11.6557 11.6983 12.1446 12.2083 12.6707 12.6990 k = 0.2500-0.2500 0.2500 ( 5226 PWs) bands (ev): -5.1003 -5.0983 -4.6891 -4.6874 2.0646 2.1441 2.5269 2.5524 2.9386 3.0021 3.3021 3.3223 3.3911 3.4479 3.4710 3.5220 3.7297 3.7759 3.8461 3.9206 4.0124 4.1116 4.2176 4.3030 4.3943 4.4523 4.6010 4.6204 4.6825 4.6970 4.7668 4.8283 4.9046 5.0043 5.1460 5.2183 5.3554 5.3933 5.6623 5.7284 6.3898 6.6325 6.9261 7.0085 7.4212 7.6564 10.5821 10.6700 11.5523 11.5866 11.7163 11.7450 12.1048 12.1682 12.6724 12.7141 k = 0.2589-0.2589 0.2589 ( 5205 PWs) bands (ev): -5.0809 -5.0788 -4.6888 -4.6872 2.0377 2.1165 2.5004 2.5252 2.9118 2.9801 3.2911 3.3062 3.3928 3.4561 3.4698 3.5242 3.7352 3.7760 3.8477 3.9243 4.0206 4.1195 4.2333 4.3017 4.3956 4.4535 4.6018 4.6258 4.6789 4.6943 4.7629 4.8237 4.8981 5.0056 5.1431 5.2112 5.3564 5.3932 5.6343 5.6965 6.3795 6.6079 6.9118 6.9976 7.4385 7.6701 10.6460 10.7408 11.5786 11.6104 11.7584 11.7810 12.1006 12.1622 12.6889 12.7467 k = 0.2679-0.2679 0.2679 ( 5205 PWs) bands (ev): -5.0618 -5.0595 -4.6884 -4.6867 2.0123 2.0905 2.4743 2.4986 2.8839 2.9567 3.2805 3.2920 3.3954 3.4648 3.4705 3.5278 3.7404 3.7772 3.8494 3.9283 4.0282 4.1268 4.2496 4.3008 4.3967 4.4548 4.6022 4.6317 4.6738 4.6932 4.7596 4.8197 4.8918 5.0059 5.1396 5.2032 5.3568 5.3924 5.6066 5.6653 6.3660 6.5790 6.8956 6.9824 7.4528 7.6787 10.7030 10.8018 11.5795 11.6275 11.7805 11.8224 12.1234 12.1843 12.7205 12.7947 k = 0.2768-0.2768 0.2768 ( 5214 PWs) bands (ev): -5.0429 -5.0406 -4.6877 -4.6861 1.9885 2.0661 2.4488 2.4725 2.8548 2.9314 3.2707 3.2808 3.3990 3.4709 3.4760 3.5326 3.7454 3.7795 3.8513 3.9326 4.0352 4.1337 4.2657 4.3006 4.3978 4.4560 4.6022 4.6377 4.6684 4.6929 4.7570 4.8165 4.8857 5.0053 5.1353 5.1944 5.3565 5.3908 5.5790 5.6347 6.3500 6.5469 6.8777 6.9629 7.4626 7.6814 10.7532 10.8526 11.5694 11.6375 11.8023 11.8629 12.1613 12.2226 12.7664 12.8549 k = 0.2857-0.2857 0.2857 ( 5220 PWs) bands (ev): -5.0244 -5.0221 -4.6868 -4.6852 1.9666 2.0434 2.4238 2.4472 2.8244 2.9042 3.2623 3.2730 3.4035 3.4745 3.4861 3.5386 3.7504 3.7830 3.8535 3.9371 4.0417 4.1404 4.2807 4.3016 4.3991 4.4571 4.6019 4.6431 4.6638 4.6932 4.7550 4.8143 4.8798 5.0037 5.1303 5.1848 5.3553 5.3885 5.5516 5.6047 6.3318 6.5124 6.8582 6.9396 7.4664 7.6771 10.7978 10.8938 11.5605 11.6453 11.8284 11.9009 12.2064 12.2684 12.8248 12.9225 k = 0.2946-0.2946 0.2946 ( 5223 PWs) bands (ev): -5.0064 -5.0040 -4.6858 -4.6842 1.9464 2.0225 2.3996 2.4226 2.7927 2.8752 3.2558 3.2687 3.4089 3.4789 3.4973 3.5455 3.7555 3.7877 3.8558 3.9417 4.0478 4.1469 4.2918 4.3060 4.4007 4.4579 4.6011 4.6464 4.6619 4.6938 4.7536 4.8132 4.8742 5.0012 5.1245 5.1746 5.3528 5.3852 5.5241 5.5754 6.3122 6.4766 6.8372 6.9130 7.4628 7.6651 10.8384 10.9279 11.5577 11.6555 11.8579 11.9365 12.2553 12.3180 12.8929 12.9920 k = 0.3036-0.3036 0.3036 ( 5217 PWs) bands (ev): -4.9888 -4.9864 -4.6845 -4.6829 1.9282 2.0036 2.3760 2.3988 2.7598 2.8443 3.2519 3.2678 3.4153 3.4843 3.5090 3.5534 3.7608 3.7935 3.8584 3.9465 4.0535 4.1533 4.2968 4.3158 4.4028 4.4586 4.5994 4.6466 4.6638 4.6949 4.7529 4.8135 4.8688 4.9979 5.1180 5.1637 5.3488 5.3810 5.4967 5.5467 6.2915 6.4401 6.8149 6.8836 7.4511 7.6449 10.8776 10.9584 11.5620 11.6692 11.8898 11.9701 12.3072 12.3707 12.9673 13.0594 k = 0.3125-0.3125 0.3125 ( 5211 PWs) bands (ev): -4.9718 -4.9694 -4.6831 -4.6815 1.9120 1.9865 2.3532 2.3759 2.7260 2.8118 3.2508 3.2699 3.4224 3.4905 3.5214 3.5621 3.7663 3.8002 3.8612 3.9514 4.0589 4.1596 4.2992 4.3267 4.4054 4.4591 4.5965 4.6459 4.6669 4.6969 4.7528 4.8151 4.8637 4.9938 5.1106 5.1522 5.3429 5.3755 5.4694 5.5187 6.2702 6.4038 6.7912 6.8518 7.4309 7.6165 10.9179 10.9892 11.5725 11.6853 11.9232 12.0021 12.3628 12.4269 13.0445 13.1256 k = 0.3214-0.3214 0.3214 ( 5217 PWs) bands (ev): -4.9554 -4.9529 -4.6815 -4.6799 1.8977 1.9715 2.3311 2.3538 2.6912 2.7780 3.2525 3.2751 3.4303 3.4975 3.5340 3.5714 3.7721 3.8079 3.8643 3.9566 4.0642 4.1656 4.3014 4.3365 4.4086 4.4594 4.5922 4.6458 4.6694 4.6998 4.7529 4.8180 4.8587 4.9889 5.1023 5.1401 5.3351 5.3680 5.4427 5.4912 6.2485 6.3684 6.7663 6.8183 7.4023 7.5800 10.9617 11.0235 11.5874 11.7020 11.9573 12.0328 12.4229 12.4870 13.1212 13.1937 k = 0.3304-0.3304 0.3304 ( 5220 PWs) bands (ev): -4.9397 -4.9372 -4.6798 -4.6782 1.8854 1.9584 2.3099 2.3327 2.6558 2.7431 3.2570 3.2833 3.4389 3.5053 3.5471 3.5814 3.7782 3.8162 3.8677 3.9621 4.0694 4.1715 4.3036 4.3446 4.4123 4.4596 4.5867 4.6464 4.6711 4.7034 4.7534 4.8218 4.8541 4.9832 5.0933 5.1275 5.3250 5.3577 5.4173 5.4643 6.2269 6.3348 6.7406 6.7835 7.3657 7.5360 11.0107 11.0635 11.6053 11.7184 11.9910 12.0625 12.4882 12.5519 13.1950 13.2650 k = 0.3393-0.3393 0.3393 ( 5220 PWs) bands (ev): -4.9246 -4.9221 -4.6779 -4.6764 1.8752 1.9474 2.2895 2.3125 2.6200 2.7076 3.2640 3.2942 3.4481 3.5138 3.5602 3.5918 3.7846 3.8253 3.8714 3.9681 4.0747 4.1774 4.3060 4.3510 4.4164 4.4596 4.5804 4.6471 4.6729 4.7071 4.7540 4.8261 4.8502 4.9768 5.0836 5.1145 5.3126 5.3432 5.3944 5.4381 6.2056 6.3037 6.7141 6.7480 7.3217 7.4851 11.0658 11.1106 11.6249 11.7340 12.0234 12.0913 12.5589 12.6218 13.2655 13.3387 k = 0.3482-0.3482 0.3482 ( 5217 PWs) bands (ev): -4.9102 -4.9078 -4.6760 -4.6745 1.8670 1.9383 2.2699 2.2934 2.5838 2.6716 3.2735 3.3077 3.4579 3.5229 3.5734 3.6027 3.7914 3.8347 3.8758 3.9747 4.0803 4.1833 4.3084 4.3562 4.4207 4.4597 4.5736 4.6472 4.6754 4.7104 4.7546 4.8295 4.8477 4.9698 5.0732 5.1014 5.2977 5.3241 5.3745 5.4128 6.1848 6.2758 6.6870 6.7123 7.2714 7.4285 11.1274 11.1651 11.6453 11.7488 12.0540 12.1190 12.6342 12.6969 13.3333 13.4125 k = 0.3571-0.3571 0.3571 ( 5211 PWs) bands (ev): -4.8965 -4.8942 -4.6739 -4.6725 1.8609 1.9313 2.2513 2.2754 2.5476 2.6354 3.2852 3.3235 3.4681 3.5326 3.5865 3.6139 3.7984 3.8444 3.8810 3.9820 4.0863 4.1892 4.3105 4.3606 4.4248 4.4597 4.5665 4.6463 4.6788 4.7129 4.7553 4.8298 4.8484 4.9623 5.0624 5.0882 5.2796 5.3019 5.3560 5.3888 6.1650 6.2517 6.6595 6.6769 7.2159 7.3672 11.1951 11.2267 11.6660 11.7630 12.0829 12.1457 12.7135 12.7772 13.3994 13.4846 k = 0.3661-0.3661 0.3661 ( 5211 PWs) bands (ev): -4.8836 -4.8814 -4.6718 -4.6705 1.8568 1.9263 2.2335 2.2584 2.5115 2.5993 3.2988 3.3414 3.4787 3.5427 3.5994 3.6251 3.8058 3.8537 3.8874 3.9902 4.0928 4.1953 4.3122 4.3646 4.4285 4.4598 4.5594 4.6444 4.6826 4.7142 4.7558 4.8270 4.8516 4.9544 5.0508 5.0754 5.2581 5.2789 5.3365 5.3665 6.1468 6.2316 6.6310 6.6431 7.1562 7.3022 11.2681 11.2948 11.6871 11.7768 12.1101 12.1712 12.7957 12.8624 13.4640 13.5542 k = 0.3750-0.3750 0.3750 ( 5217 PWs) bands (ev): -4.8715 -4.8694 -4.6697 -4.6685 1.8547 1.9232 2.2166 2.2425 2.4757 2.5633 3.3142 3.3610 3.4897 3.5532 3.6118 3.6362 3.8134 3.8623 3.8956 3.9992 4.1000 4.2016 4.3133 4.3685 4.4315 4.4598 4.5523 4.6418 4.6862 4.7145 4.7564 4.8223 4.8552 4.9463 5.0384 5.0634 5.2337 5.2562 5.3149 5.3460 6.1307 6.2156 6.6006 6.6123 7.0935 7.2348 11.3449 11.3682 11.7085 11.7908 12.1357 12.1955 12.8799 12.9519 13.5274 13.6209 k = 0.3839-0.3839 0.3839 ( 5226 PWs) bands (ev): -4.8601 -4.8582 -4.6676 -4.6665 1.8546 1.9220 2.2007 2.2278 2.4402 2.5278 3.3310 3.3820 3.5010 3.5641 3.6238 3.6470 3.8213 3.8698 3.9061 4.0092 4.1080 4.2082 4.3136 4.3726 4.4337 4.4599 4.5454 4.6386 4.6887 4.7136 4.7568 4.8166 4.8579 4.9382 5.0251 5.0528 5.2081 5.2333 5.2912 5.3268 6.1174 6.2036 6.5689 6.5848 7.0289 7.1658 11.4236 11.4452 11.7310 11.8057 12.1600 12.2186 12.9654 13.0450 13.5895 13.6847 k = 0.3929-0.3929 0.3929 ( 5226 PWs) bands (ev): -4.8496 -4.8478 -4.6656 -4.6646 1.8565 1.9227 2.1856 2.2143 2.4053 2.4929 3.3489 3.4037 3.5126 3.5751 3.6351 3.6573 3.8296 3.8763 3.9188 4.0202 4.1168 4.2151 4.3133 4.3768 4.4350 4.4601 4.5391 4.6350 4.6895 4.7118 4.7573 4.8101 4.8588 4.9303 5.0110 5.0437 5.1825 5.2099 5.2663 5.3080 6.1077 6.1955 6.5376 6.5592 6.9633 7.0964 11.5016 11.5231 11.7562 11.8227 12.1830 12.2406 13.0518 13.1407 13.6500 13.7457 k = 0.4018-0.4018 0.4018 ( 5223 PWs) bands (ev): -4.8399 -4.8382 -4.6636 -4.6627 1.8602 1.9251 2.1715 2.2020 2.3711 2.4588 3.3676 3.4257 3.5248 3.5862 3.6458 3.6668 3.8383 3.8820 3.9335 4.0322 4.1267 4.2223 4.3124 4.3811 4.4353 4.4605 4.5336 4.6307 4.6883 4.7088 4.7576 4.8029 4.8576 4.9227 4.9967 5.0359 5.1580 5.1861 5.2408 5.2894 6.1018 6.1910 6.5079 6.5351 6.8978 7.0273 11.5750 11.5977 11.7869 11.8440 12.2048 12.2615 13.1387 13.2383 13.7088 13.8043 k = 0.4107-0.4107 0.4107 ( 5232 PWs) bands (ev): -4.8309 -4.8294 -4.6617 -4.6609 1.8657 1.9291 2.1583 2.1910 2.3378 2.4255 3.3868 3.4469 3.5377 3.5971 3.6556 3.6752 3.8474 3.8873 3.9497 4.0454 4.1373 4.2296 4.3110 4.3851 4.4345 4.4608 4.5292 4.6256 4.6854 4.7045 4.7574 4.7950 4.8540 4.9154 4.9826 5.0285 5.1353 5.1622 5.2153 5.2709 6.1000 6.1901 6.4801 6.5125 6.8330 6.9593 11.6383 11.6628 11.8277 11.8738 12.2254 12.2814 13.2259 13.3369 13.7656 13.8605 k = 0.4196-0.4196 0.4196 ( 5232 PWs) bands (ev): -4.8228 -4.8214 -4.6600 -4.6593 1.8729 1.9347 2.1460 2.1813 2.3054 2.3934 3.4059 3.4666 3.5516 3.6080 3.6645 3.6824 3.8568 3.8926 3.9674 4.0598 4.1489 4.2368 4.3096 4.3884 4.4331 4.4608 4.5264 4.6196 4.6810 4.6986 4.7562 4.7866 4.8481 4.9085 4.9699 5.0209 5.1148 5.1393 5.1904 5.2528 6.1024 6.1927 6.4546 6.4916 6.7696 6.8931 11.6861 11.7127 11.8809 11.9175 12.2451 12.3004 13.3129 13.4358 13.8200 13.9144 k = 0.4286-0.4286 0.4286 ( 5238 PWs) bands (ev): -4.8155 -4.8143 -4.6584 -4.6578 1.8818 1.9416 2.1346 2.1730 2.2743 2.3624 3.4247 3.4839 3.5668 3.6185 3.6723 3.6883 3.8664 3.8977 3.9862 4.0757 4.1610 4.2433 4.3083 4.3903 4.4314 4.4602 4.5253 4.6124 4.6748 4.6921 4.7535 4.7779 4.8403 4.9014 4.9593 5.0124 5.0962 5.1182 5.1672 5.2354 6.1090 6.1986 6.4314 6.4726 6.7082 6.8291 11.7187 11.7466 11.9425 11.9757 12.2640 12.3186 13.3998 13.5345 13.8715 13.9660 k = 0.4375-0.4375 0.4375 ( 5226 PWs) bands (ev): -4.8090 -4.8080 -4.6570 -4.6564 1.8922 1.9496 2.1241 2.1660 2.2446 2.3328 3.4428 3.4982 3.5832 3.6287 3.6790 3.6928 3.8761 3.9029 4.0061 4.0932 4.1734 4.2484 4.3075 4.3905 4.4301 4.4590 4.5263 4.6041 4.6663 4.6867 4.7486 4.7688 4.8315 4.8933 4.9519 5.0029 5.0788 5.0995 5.1475 5.2189 6.1197 6.2076 6.4109 6.4559 6.6491 6.7679 11.7412 11.7683 12.0064 12.0413 12.2824 12.3363 13.4862 13.6324 13.9198 14.0150 k = 0.4464-0.4464 0.4464 ( 5220 PWs) bands (ev): -4.8034 -4.8025 -4.6557 -4.6552 1.9040 1.9584 2.1144 2.1603 2.2168 2.3047 3.4598 3.5093 3.6002 3.6384 3.6843 3.6958 3.8855 3.9079 4.0268 4.1121 4.1858 4.2510 4.3076 4.3885 4.4293 4.4574 4.5287 4.5950 4.6556 4.6831 4.7412 4.7593 4.8228 4.8830 4.9483 4.9932 5.0621 5.0820 5.1332 5.2034 6.1343 6.2196 6.3927 6.4416 6.5928 6.7099 11.7577 11.7823 12.0680 12.1056 12.3012 12.3536 13.5720 13.7290 13.9641 14.0610 k = 0.4554-0.4554 0.4554 ( 5232 PWs) bands (ev): -4.7986 -4.7979 -4.6546 -4.6542 1.9169 1.9675 2.1056 2.1550 2.1921 2.2784 3.4752 3.5175 3.6170 3.6474 3.6881 3.6973 3.8941 3.9125 4.0484 4.1319 4.1975 4.2504 4.3086 4.3848 4.4286 4.4556 4.5318 4.5854 4.6448 4.6809 4.7316 4.7494 4.8151 4.8702 4.9481 4.9849 5.0464 5.0645 5.1250 5.1890 6.1526 6.2340 6.3770 6.4302 6.5396 6.6555 11.7705 11.7916 12.1236 12.1620 12.3216 12.3707 13.6567 13.8230 14.0042 14.1038 k = 0.4643-0.4643 0.4643 ( 5220 PWs) bands (ev): -4.7947 -4.7941 -4.6537 -4.6534 1.9308 1.9763 2.0978 2.1473 2.1740 2.2542 3.4890 3.5232 3.6329 3.6560 3.6905 3.6974 3.9020 3.9166 4.0710 4.1516 4.2079 4.2465 4.3108 4.3797 4.4282 4.4541 4.5344 4.5757 4.6367 4.6798 4.7211 4.7391 4.8092 4.8558 4.9510 4.9793 5.0323 5.0472 5.1220 5.1759 6.1743 6.2503 6.3636 6.4219 6.4902 6.6050 11.7805 11.7978 12.1703 12.2057 12.3447 12.3874 13.7395 13.9118 14.0408 14.1429 k = 0.4732-0.4732 0.4732 ( 5229 PWs) bands (ev): -4.7916 -4.7911 -4.6530 -4.6528 1.9451 1.9836 2.0916 2.1329 2.1675 2.2323 3.5008 3.5265 3.6473 3.6637 3.6912 3.6960 3.9086 3.9197 4.0942 4.1689 4.2156 4.2403 4.3144 4.3728 4.4286 4.4522 4.5357 4.5658 4.6342 4.6787 4.7107 4.7283 4.8052 4.8410 4.9559 4.9767 5.0196 5.0309 5.1224 5.1640 6.1991 6.2672 6.3520 6.4157 6.4471 6.5590 11.7885 11.8015 12.2067 12.2351 12.3698 12.4028 13.8188 13.9851 14.0813 14.1785 k = 0.4821-0.4821 0.4821 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6524 1.9592 1.9880 2.0878 2.1164 2.1688 2.2131 3.5105 3.5276 3.6595 3.6704 3.6904 3.6935 3.9140 3.9215 4.1176 4.1793 4.2199 4.2353 4.3202 4.3636 4.4306 4.4494 4.5362 4.5561 4.6382 4.6760 4.7027 4.7178 4.8036 4.8275 4.9624 4.9768 5.0088 5.0167 5.1253 5.1535 6.2263 6.2825 6.3424 6.3950 6.4293 6.5180 11.7946 11.8034 12.2327 12.2518 12.3934 12.4151 13.8916 14.0220 14.1419 14.2112 k = 0.4911-0.4911 0.4911 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9720 1.9878 2.0878 2.1025 2.1746 2.1970 3.5180 3.5266 3.6694 3.6754 3.6884 3.6902 3.9180 3.9218 4.1405 4.1761 4.2240 4.2328 4.3288 4.3523 4.4346 4.4452 4.5376 4.5477 4.6471 4.6691 4.6998 4.7088 4.8048 4.8166 4.9698 4.9780 5.0007 5.0054 5.1301 5.1443 6.2544 6.2900 6.3370 6.3640 6.4371 6.4832 11.7991 11.8035 12.2494 12.2588 12.4113 12.4218 13.9535 14.0233 14.2142 14.2419 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.4846 0.5000 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9736 1.9875 2.0820 2.1073 2.1713 2.1998 3.5165 3.5283 3.6678 3.6780 3.6875 3.6902 3.9182 3.9217 4.1421 4.1752 4.2202 4.2363 4.3281 4.3530 4.4308 4.4491 4.5376 4.5472 4.6488 4.6679 4.6960 4.7125 4.8049 4.8152 4.9704 4.9784 4.9977 5.0067 5.1310 5.1448 6.2583 6.2890 6.3278 6.3713 6.4335 6.4857 11.7979 11.8017 12.2469 12.2628 12.4086 12.4264 13.9574 14.0224 14.2148 14.2518 k = 0.5000-0.4692 0.5000 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6524 1.9630 1.9889 2.0756 2.1250 2.1622 2.2184 3.5078 3.5311 3.6576 3.6743 3.6875 3.6949 3.9145 3.9210 4.1209 4.1800 4.2114 4.2418 4.3190 4.3640 4.4239 4.4566 4.5367 4.5542 4.6408 4.6738 4.6937 4.7273 4.8032 4.8230 4.9631 4.9785 5.0023 5.0178 5.1285 5.1558 6.2340 6.2774 6.3347 6.4048 6.4210 6.5216 11.7888 11.7964 12.2298 12.2608 12.3905 12.4250 13.8957 14.0282 14.1406 14.2344 k = 0.5000-0.4538 0.5000 ( 5228 PWs) bands (ev): -4.7915 -4.7911 -4.6530 -4.6528 1.9514 1.9863 2.0731 2.1397 2.1619 2.2397 3.4973 3.5317 3.6459 3.6678 3.6861 3.6992 3.9096 3.9182 4.0990 4.1714 4.2060 4.2470 4.3131 4.3704 4.4209 4.4617 4.5393 4.5618 4.6357 4.6747 4.6953 4.7472 4.8039 4.8322 4.9561 4.9786 5.0107 5.0307 5.1293 5.1693 6.2092 6.2572 6.3515 6.4151 6.4450 6.5620 11.7746 11.7860 12.2060 12.2497 12.3694 12.4178 13.8162 13.9973 14.0805 14.2254 k = 0.5000-0.4385 0.5000 ( 5232 PWs) bands (ev): -4.7945 -4.7939 -4.6537 -4.6534 1.9395 1.9806 2.0736 2.1404 2.1809 2.2635 3.4852 3.5300 3.6331 3.6594 3.6833 3.7023 3.9035 3.9132 4.0775 4.1547 4.2008 4.2513 4.3092 4.3720 4.4208 4.4652 4.5445 4.5692 4.6343 4.6737 4.6980 4.7707 4.8068 4.8425 4.9505 4.9797 5.0221 5.0448 5.1336 5.1852 6.1856 6.2359 6.3715 6.4196 6.4862 6.6058 11.7546 11.7697 12.1748 12.2264 12.3496 12.4061 13.7236 13.9101 14.0625 14.2239 k = 0.5000-0.4231 0.5000 ( 5212 PWs) bands (ev): -4.7983 -4.7976 -4.6545 -4.6542 1.9279 1.9729 2.0760 2.1373 2.2084 2.2898 3.4717 3.5261 3.6192 3.6497 3.6793 3.7038 3.8959 3.9061 4.0575 4.1356 4.1932 4.2536 4.3055 4.3723 4.4207 4.4684 4.5512 4.5757 4.6367 4.6734 4.7004 4.7946 4.8120 4.8544 4.9466 4.9820 5.0364 5.0603 5.1416 5.2038 6.1644 6.2158 6.3939 6.4313 6.5302 6.6523 11.7278 11.7465 12.1355 12.1890 12.3341 12.3919 13.6227 13.8030 14.0553 14.2274 k = 0.5000-0.4077 0.5000 ( 5208 PWs) bands (ev): -4.8029 -4.8020 -4.6556 -4.6551 1.9169 1.9641 2.0794 2.1347 2.2394 2.3182 3.4569 3.5198 3.6044 3.6387 3.6740 3.7033 3.8865 3.8969 4.0395 4.1165 4.1833 4.2531 4.3007 4.3734 4.4193 4.4719 4.5583 4.5810 4.6413 4.6748 4.7024 4.8108 4.8235 4.8690 4.9448 4.9851 5.0523 5.0777 5.1538 5.2252 6.1461 6.1979 6.4184 6.4496 6.5763 6.7008 11.6932 11.7152 12.0880 12.1393 12.3226 12.3768 13.5171 13.6889 14.0494 14.2334 k = 0.5000-0.3923 0.5000 ( 5216 PWs) bands (ev): -4.8081 -4.8071 -4.6567 -4.6562 1.9065 1.9549 2.0833 2.1331 2.2731 2.3487 3.4411 3.5110 3.5888 3.6268 3.6675 3.7007 3.8753 3.8861 4.0239 4.0988 4.1714 4.2495 4.2943 4.3765 4.4171 4.4752 4.5650 4.5856 4.6456 4.6789 4.7044 4.8175 4.8396 4.8870 4.9449 4.9891 5.0682 5.0974 5.1718 5.2502 6.1311 6.1831 6.4448 6.4737 6.6240 6.7509 11.6495 11.6742 12.0328 12.0804 12.3139 12.3623 13.4097 13.5714 14.0439 14.2391 k = 0.5000-0.3769 0.5000 ( 5224 PWs) bands (ev): -4.8140 -4.8129 -4.6581 -4.6575 1.8970 1.9457 2.0877 2.1323 2.3090 2.3809 3.4244 3.5000 3.5725 3.6141 3.6598 3.6958 3.8631 3.8741 4.0105 4.0830 4.1578 4.2425 4.2879 4.3812 4.4150 4.4781 4.5704 4.5908 4.6477 4.6853 4.7073 4.8223 4.8521 4.9069 4.9472 4.9937 5.0827 5.1179 5.1979 5.2799 6.1198 6.1720 6.4734 6.5030 6.6733 6.8023 11.5954 11.6221 11.9711 12.0151 12.3070 12.3492 13.3028 13.4527 14.0391 14.2408 k = 0.5000-0.3615 0.5000 ( 5208 PWs) bands (ev): -4.8204 -4.8193 -4.6595 -4.6589 1.8884 1.9368 2.0922 2.1323 2.3468 2.4148 3.4072 3.4869 3.5558 3.6009 3.6509 3.6884 3.8507 3.8614 3.9991 4.0696 4.1427 4.2318 4.2832 4.3870 4.4135 4.4807 4.5739 4.5975 4.6479 4.6921 4.7119 4.8262 4.8616 4.9249 4.9525 4.9989 5.0958 5.1362 5.2341 5.3152 6.1125 6.1650 6.5043 6.5365 6.7238 6.8547 11.5301 11.5578 11.9038 11.9451 12.3017 12.3382 13.1982 13.3347 14.0353 14.2357 k = 0.5000-0.3462 0.5000 ( 5208 PWs) bands (ev): -4.8274 -4.8261 -4.6611 -4.6604 1.8805 1.9281 2.0970 2.1330 2.3863 2.4501 3.3896 3.4720 3.5388 3.5872 3.6404 3.6782 3.8391 3.8484 3.9889 4.0583 4.1262 4.2180 4.2808 4.3926 4.4131 4.4827 4.5756 4.6051 4.6467 4.6971 4.7186 4.8295 4.8692 4.9374 4.9618 5.0044 5.1073 5.1511 5.2796 5.3568 6.1095 6.1624 6.5376 6.5732 6.7754 6.9076 11.4534 11.4811 11.8312 11.8715 12.2980 12.3296 13.0976 13.2193 14.0327 14.2241 k = 0.5000-0.3308 0.5000 ( 5200 PWs) bands (ev): -4.8348 -4.8335 -4.6627 -4.6620 1.8735 1.9199 2.1018 2.1342 2.4272 2.4866 3.3719 3.4557 3.5216 3.5732 3.6285 3.6654 3.8287 3.8358 3.9796 4.0491 4.1089 4.2027 4.2804 4.3970 4.4147 4.4846 4.5762 4.6131 4.6446 4.7007 4.7268 4.8323 4.8755 4.9443 4.9738 5.0105 5.1175 5.1630 5.3325 5.4050 6.1109 6.1645 6.5733 6.6127 6.8277 6.9608 11.3657 11.3928 11.7529 11.7946 12.2961 12.3235 13.0025 13.1083 14.0314 14.2090 k = 0.5000-0.3154 0.5000 ( 5196 PWs) bands (ev): -4.8425 -4.8412 -4.6645 -4.6637 1.8672 1.9121 2.1067 2.1360 2.4692 2.5239 3.3542 3.4383 3.5044 3.5587 3.6150 3.6505 3.8192 3.8248 3.9708 4.0411 4.0915 4.1870 4.2813 4.3990 4.4187 4.4863 4.5761 4.6209 4.6420 4.7034 4.7353 4.8347 4.8809 4.9484 4.9851 5.0171 5.1264 5.1727 5.3908 5.4597 6.1167 6.1714 6.6109 6.6544 6.8805 7.0141 11.2682 11.2945 11.6682 11.7136 12.2962 12.3200 12.9139 13.0036 14.0315 14.1933 k = 0.5000-0.3000 0.5000 ( 5188 PWs) bands (ev): -4.8506 -4.8492 -4.6663 -4.6655 1.8616 1.9048 2.1116 2.1380 2.5120 2.5620 3.3368 3.4201 3.4874 3.5440 3.6001 3.6339 3.8095 3.8165 3.9626 4.0332 4.0751 4.1718 4.2832 4.3994 4.4245 4.4881 4.5757 4.6278 4.6392 4.7058 4.7436 4.8369 4.8856 4.9506 4.9939 5.0244 5.1343 5.1807 5.4531 5.5200 6.1272 6.1833 6.6502 6.6978 6.9336 7.0670 11.1625 11.1882 11.5765 11.6274 12.2982 12.3191 12.8328 12.9067 14.0328 14.1784 k = 0.5000-0.2846 0.5000 ( 5204 PWs) bands (ev): -4.8588 -4.8574 -4.6682 -4.6674 1.8567 1.8979 2.1166 2.1404 2.5552 2.6004 3.3198 3.4016 3.4705 3.5289 3.5839 3.6164 3.7996 3.8103 3.9548 4.0236 4.0617 4.1572 4.2855 4.3989 4.4309 4.4898 4.5749 4.6316 4.6383 4.7079 4.7512 4.8386 4.8894 4.9512 5.0003 5.0319 5.1413 5.1875 5.5183 5.5851 6.1420 6.2002 6.6907 6.7425 6.9867 7.1193 11.0504 11.0758 11.4778 11.5350 12.3023 12.3209 12.7594 12.8188 14.0352 14.1651 k = 0.5000-0.2692 0.5000 ( 5220 PWs) bands (ev): -4.8672 -4.8658 -4.6701 -4.6693 1.8523 1.8915 2.1215 2.1430 2.5985 2.6389 3.3033 3.3831 3.4540 3.5134 3.5672 3.5984 3.7903 3.8053 3.9475 4.0112 4.0528 4.1436 4.2882 4.3980 4.4372 4.4917 4.5742 4.6294 4.6425 4.7098 4.7582 4.8401 4.8924 4.9500 5.0050 5.0391 5.1478 5.1935 5.5857 5.6542 6.1611 6.2222 6.7321 6.7881 7.0395 7.1707 10.9335 10.9591 11.3725 11.4360 12.3084 12.3252 12.6936 12.7408 14.0387 14.1538 k = 0.5000-0.2538 0.5000 ( 5224 PWs) bands (ev): -4.8757 -4.8742 -4.6720 -4.6712 1.8485 1.8855 2.1264 2.1458 2.6414 2.6772 3.2876 3.3649 3.4380 3.4975 3.5504 3.5805 3.7817 3.8007 3.9410 3.9972 4.0479 4.1310 4.2911 4.3972 4.4431 4.4939 4.5738 4.6255 4.6473 4.7116 4.7644 4.8411 4.8946 4.9469 5.0087 5.0458 5.1541 5.1990 5.6548 5.7263 6.1845 6.2493 6.7739 6.8342 7.0918 7.2209 10.8136 10.8395 11.2615 11.3305 12.3163 12.3319 12.6350 12.6732 14.0430 14.1444 k = 0.5000-0.2385 0.5000 ( 5216 PWs) bands (ev): -4.8841 -4.8826 -4.6739 -4.6731 1.8452 1.8800 2.1312 2.1487 2.6836 2.7149 3.2727 3.3472 3.4227 3.4814 3.5340 3.5631 3.7737 3.7961 3.9350 3.9836 4.0453 4.1196 4.2942 4.3964 4.4482 4.4964 4.5737 4.6212 4.6517 4.7133 4.7699 4.8415 4.8962 4.9422 5.0120 5.0516 5.1605 5.2042 5.7250 5.8005 6.2118 6.2814 6.8157 6.8804 7.1433 7.2696 10.6921 10.7184 11.1459 11.2192 12.3259 12.3410 12.5830 12.6158 14.0480 14.1370 k = 0.5000-0.2231 0.5000 ( 5224 PWs) bands (ev): -4.8924 -4.8909 -4.6758 -4.6750 1.8424 1.8748 2.1360 2.1517 2.7244 2.7518 3.2588 3.3301 3.4081 3.4649 3.5184 3.5463 3.7661 3.7910 3.9295 3.9717 4.0439 4.1091 4.2973 4.3958 4.4521 4.4994 4.5741 4.6169 4.6553 4.7146 4.7743 4.8408 4.8968 4.9359 5.0152 5.0564 5.1670 5.2090 5.7957 5.8759 6.2429 6.3181 6.8572 6.9263 7.1937 7.3164 10.5703 10.5971 11.0271 11.1033 12.3366 12.3522 12.5374 12.5683 14.0536 14.1314 k = 0.5000-0.2077 0.5000 ( 5224 PWs) bands (ev): -4.9005 -4.8991 -4.6777 -4.6769 1.8400 1.8701 2.1406 2.1547 2.7635 2.7875 3.2460 3.3139 3.3945 3.4484 3.5039 3.5304 3.7588 3.7852 3.9246 3.9624 4.0433 4.0998 4.3004 4.3953 4.4547 4.5029 4.5749 4.6127 4.6583 4.7157 4.7775 4.8391 4.8964 4.9289 5.0185 5.0606 5.1737 5.2137 5.8662 5.9516 6.2775 6.3591 6.8980 6.9714 7.2426 7.3610 10.4495 10.4766 10.9063 10.9841 12.3476 12.3652 12.4982 12.5296 14.0595 14.1273 k = 0.5000-0.1923 0.5000 ( 5220 PWs) bands (ev): -4.9083 -4.9070 -4.6795 -4.6787 1.8379 1.8657 2.1450 2.1576 2.8002 2.8216 3.2344 3.2987 3.3819 3.4320 3.4905 3.5157 3.7517 3.7785 3.9205 3.9560 4.0431 4.0916 4.3035 4.3950 4.4560 4.5070 4.5760 4.6088 4.6607 4.7165 4.7790 4.8362 4.8944 4.9225 5.0221 5.0642 5.1805 5.2182 5.9361 6.0269 6.3155 6.4039 6.9379 7.0153 7.2898 7.4032 10.3308 10.3580 10.7851 10.8633 12.3576 12.3795 12.4659 12.4996 14.0657 14.1246 k = 0.5000-0.1769 0.5000 ( 5204 PWs) bands (ev): -4.9158 -4.9146 -4.6812 -4.6805 1.8362 1.8617 2.1493 2.1605 2.8343 2.8540 3.2240 3.2846 3.3705 3.4161 3.4783 3.5023 3.7449 3.7711 3.9175 3.9522 4.0431 4.0847 4.3067 4.3949 4.4562 4.5116 4.5773 4.6059 4.6624 4.7170 4.7786 4.8322 4.8902 4.9181 5.0259 5.0673 5.1874 5.2224 6.0048 6.1006 6.3567 6.4520 6.9765 7.0577 7.3349 7.4426 10.2152 10.2423 10.6648 10.7422 12.3640 12.3934 12.4420 12.4790 14.0720 14.1231 k = 0.5000-0.1615 0.5000 ( 5196 PWs) bands (ev): -4.9230 -4.9218 -4.6829 -4.6822 1.8348 1.8580 2.1533 2.1633 2.8652 2.8839 3.2150 3.2717 3.3603 3.4010 3.4672 3.4903 3.7384 3.7632 3.9160 3.9503 4.0430 4.0791 4.3100 4.3947 4.4556 4.5164 4.5781 4.6042 4.6634 4.7173 4.7758 4.8267 4.8847 4.9159 5.0299 5.0699 5.1942 5.2263 6.0717 6.1717 6.4008 6.5023 7.0138 7.0982 7.3777 7.4790 10.1039 10.1306 10.5468 10.6225 12.3639 12.3995 12.4328 12.4700 14.0783 14.1225 k = 0.5000-0.1462 0.5000 ( 5216 PWs) bands (ev): -4.9297 -4.9286 -4.6845 -4.6838 1.8337 1.8545 2.1570 2.1658 2.8929 2.9111 3.2073 3.2598 3.3513 3.3868 3.4570 3.4797 3.7321 3.7549 3.9159 3.9497 4.0425 4.0748 4.3133 4.3943 4.4545 4.5208 4.5781 4.6042 4.6636 4.7172 4.7703 4.8191 4.8798 4.9150 5.0339 5.0719 5.2007 5.2298 6.1364 6.2388 6.4474 6.5537 7.0495 7.1363 7.4178 7.5120 9.9980 10.0238 10.4326 10.5056 12.3573 12.3908 12.4434 12.4725 14.0845 14.1226 k = 0.5000-0.1308 0.5000 ( 5208 PWs) bands (ev): -4.9359 -4.9348 -4.6859 -4.6853 1.8329 1.8514 2.1605 2.1682 2.9173 2.9350 3.2011 3.2492 3.3438 3.3741 3.4480 3.4706 3.7264 3.7469 3.9174 3.9500 4.0418 4.0719 4.3168 4.3936 4.4536 4.5247 4.5776 4.6061 4.6631 4.7170 4.7629 4.8094 4.8771 4.9147 5.0383 5.0737 5.2070 5.2330 6.1984 6.3011 6.4961 6.6051 7.0838 7.1716 7.4551 7.5415 9.8984 9.9230 10.3236 10.3931 12.3480 12.3783 12.4608 12.4828 14.0905 14.1232 k = 0.5000-0.1154 0.5000 ( 5216 PWs) bands (ev): -4.9415 -4.9406 -4.6872 -4.6866 1.8323 1.8486 2.1637 2.1703 2.9383 2.9553 3.1963 3.2397 3.3374 3.3627 3.4401 3.4626 3.7212 3.7393 3.9200 3.9508 4.0409 4.0701 4.3204 4.3922 4.4535 4.5272 4.5774 4.6094 4.6617 4.7165 4.7540 4.7978 4.8767 4.9143 5.0427 5.0751 5.2129 5.2358 6.2573 6.3573 6.5461 6.6547 7.1167 7.2038 7.4891 7.5672 9.8063 9.8294 10.2214 10.2863 12.3389 12.3666 12.4797 12.4970 14.0961 14.1240 k = 0.5000-0.1000 0.5000 ( 5232 PWs) bands (ev): -4.9465 -4.9457 -4.6884 -4.6879 1.8319 1.8459 2.1665 2.1722 2.9562 2.9720 3.1928 3.2313 3.3322 3.3529 3.4336 3.4556 3.7166 3.7324 3.9235 3.9518 4.0403 4.0689 4.3243 4.3900 4.4544 4.5278 4.5783 4.6137 4.6593 4.7156 4.7445 4.7851 4.8781 4.9137 5.0470 5.0759 5.2183 5.2380 6.3124 6.4068 6.5962 6.7008 7.1483 7.2325 7.5198 7.5890 9.7229 9.7438 10.1276 10.1869 12.3315 12.3562 12.4985 12.5126 14.1014 14.1249 k = 0.5000-0.0846 0.5000 ( 5224 PWs) bands (ev): -4.9509 -4.9502 -4.6894 -4.6890 1.8318 1.8436 2.1691 2.1738 2.9711 2.9853 3.1907 3.2239 3.3282 3.3447 3.4286 3.4496 3.7129 3.7264 3.9276 3.9527 4.0403 4.0680 4.3286 4.3869 4.4569 4.5263 4.5811 4.6188 4.6560 4.7140 4.7354 4.7726 4.8808 4.9129 5.0513 5.0763 5.2233 5.2399 6.3633 6.4492 6.6448 6.7418 7.1785 7.2571 7.5470 7.6068 9.6490 9.6676 10.0437 10.0965 12.3258 12.3475 12.5164 12.5281 14.1062 14.1258 k = 0.5000-0.0692 0.5000 ( 5232 PWs) bands (ev): -4.9545 -4.9539 -4.6902 -4.6899 1.8318 1.8415 2.1713 2.1751 2.9831 2.9951 3.1897 3.2173 3.3251 3.3381 3.4250 3.4442 3.7100 3.7212 3.9319 3.9533 4.0411 4.0668 4.3332 4.3827 4.4607 4.5225 4.5855 4.6243 4.6519 4.7099 4.7286 4.7609 4.8841 4.9116 5.0554 5.0763 5.2277 5.2413 6.4092 6.4838 6.6903 6.7759 7.2072 7.2772 7.5706 7.6205 9.5859 9.6016 9.9714 10.0166 12.3219 12.3402 12.5329 12.5423 14.1106 14.1264 k = 0.5000-0.0538 0.5000 ( 5240 PWs) bands (ev): -4.9575 -4.9570 -4.6909 -4.6906 1.8321 1.8396 2.1731 2.1761 2.9925 3.0022 3.1897 3.2114 3.3230 3.3327 3.4230 3.4392 3.7079 3.7168 3.9362 3.9534 4.0429 4.0652 4.3382 4.3779 4.4659 4.5171 4.5911 4.6292 4.6480 4.7023 4.7255 4.7508 4.8878 4.9099 5.0592 5.0758 5.2316 5.2421 6.4494 6.5102 6.7311 6.8019 7.2338 7.2922 7.5905 7.6300 9.5345 9.5470 9.9124 9.9489 12.3197 12.3342 12.5471 12.5544 14.1144 14.1267 k = 0.5000-0.0385 0.5000 ( 5240 PWs) bands (ev): -4.9597 -4.9594 -4.6914 -4.6912 1.8326 1.8379 2.1746 2.1767 2.9997 3.0067 3.1906 3.2063 3.3218 3.3286 3.4224 3.4348 3.7068 3.7132 3.9402 3.9528 4.0457 4.0629 4.3434 4.3724 4.4723 4.5106 4.5977 4.6305 4.6476 4.6924 4.7250 4.7426 4.8916 4.9077 5.0628 5.0748 5.2349 5.2424 6.4831 6.5281 6.7658 6.8188 7.2577 7.3015 7.6068 7.6356 9.4955 9.5047 9.8681 9.8950 12.3188 12.3294 12.5587 12.5639 14.1178 14.1265 k = 0.5000-0.0231 0.5000 ( 5240 PWs) bands (ev): -4.9612 -4.9610 -4.6917 -4.6916 1.8333 1.8365 2.1758 2.1770 3.0048 3.0090 3.1923 3.2018 3.3215 3.3256 3.4231 3.4309 3.7065 3.7104 3.9439 3.9516 4.0491 4.0600 4.3490 4.3667 4.4795 4.5032 4.6049 4.6263 4.6531 4.6817 4.7261 4.7363 4.8954 4.9052 5.0661 5.0733 5.2376 5.2421 6.5093 6.5370 6.7935 6.8263 7.2776 7.3049 7.6197 7.6372 9.4698 9.4754 9.8397 9.8562 12.3190 12.3255 12.5670 12.5702 14.1206 14.1258 k = 0.5000-0.0077 0.5000 ( 5248 PWs) bands (ev): -4.9619 -4.9618 -4.6919 -4.6918 1.8341 1.8352 2.1765 2.1769 3.0080 3.0094 3.1948 3.1980 3.3220 3.3233 3.4249 3.4275 3.7070 3.7083 3.9471 3.9496 4.0528 4.0566 4.3548 4.3607 4.4872 4.4952 4.6123 4.6196 4.6614 4.6712 4.7282 4.7315 4.8989 4.9022 5.0689 5.0713 5.2397 5.2412 6.5274 6.5368 6.8132 6.8243 7.2926 7.3019 7.6291 7.6349 9.4578 9.4596 9.8282 9.8337 12.3203 12.3225 12.5718 12.5729 14.1229 14.1246 k = 0.5000 0.0077 0.5000 ( 5248 PWs) bands (ev): -4.9619 -4.9618 -4.6919 -4.6918 1.8341 1.8352 2.1765 2.1769 3.0080 3.0094 3.1948 3.1980 3.3220 3.3233 3.4249 3.4275 3.7070 3.7083 3.9471 3.9496 4.0528 4.0566 4.3548 4.3607 4.4872 4.4952 4.6123 4.6196 4.6614 4.6712 4.7282 4.7315 4.8989 4.9022 5.0689 5.0713 5.2397 5.2412 6.5274 6.5368 6.8132 6.8243 7.2926 7.3019 7.6291 7.6349 9.4578 9.4596 9.8282 9.8337 12.3203 12.3225 12.5718 12.5729 14.1229 14.1246 k = 0.5000 0.0231 0.5000 ( 5240 PWs) bands (ev): -4.9612 -4.9610 -4.6917 -4.6916 1.8333 1.8365 2.1758 2.1770 3.0048 3.0090 3.1923 3.2018 3.3215 3.3256 3.4231 3.4309 3.7065 3.7104 3.9439 3.9516 4.0491 4.0600 4.3490 4.3667 4.4795 4.5032 4.6049 4.6263 4.6531 4.6817 4.7261 4.7363 4.8954 4.9052 5.0661 5.0733 5.2376 5.2421 6.5093 6.5370 6.7935 6.8263 7.2776 7.3049 7.6197 7.6372 9.4698 9.4754 9.8397 9.8562 12.3190 12.3255 12.5670 12.5702 14.1206 14.1258 k = 0.5000 0.0385 0.5000 ( 5240 PWs) bands (ev): -4.9597 -4.9594 -4.6914 -4.6912 1.8326 1.8379 2.1746 2.1767 2.9997 3.0067 3.1906 3.2063 3.3218 3.3286 3.4224 3.4348 3.7068 3.7132 3.9402 3.9528 4.0457 4.0629 4.3434 4.3724 4.4723 4.5106 4.5977 4.6305 4.6476 4.6924 4.7250 4.7426 4.8916 4.9077 5.0628 5.0748 5.2349 5.2424 6.4831 6.5281 6.7658 6.8188 7.2577 7.3015 7.6068 7.6356 9.4955 9.5047 9.8681 9.8950 12.3188 12.3294 12.5587 12.5639 14.1178 14.1265 k = 0.5000 0.0538 0.5000 ( 5240 PWs) bands (ev): -4.9575 -4.9570 -4.6909 -4.6906 1.8321 1.8396 2.1731 2.1761 2.9925 3.0022 3.1897 3.2114 3.3230 3.3327 3.4230 3.4392 3.7079 3.7168 3.9362 3.9534 4.0429 4.0652 4.3382 4.3779 4.4659 4.5171 4.5911 4.6292 4.6480 4.7023 4.7255 4.7508 4.8878 4.9099 5.0592 5.0758 5.2316 5.2421 6.4494 6.5102 6.7311 6.8019 7.2338 7.2922 7.5905 7.6300 9.5345 9.5470 9.9124 9.9489 12.3197 12.3342 12.5471 12.5544 14.1144 14.1267 k = 0.5000 0.0692 0.5000 ( 5232 PWs) bands (ev): -4.9545 -4.9539 -4.6902 -4.6899 1.8318 1.8415 2.1713 2.1751 2.9831 2.9951 3.1897 3.2173 3.3251 3.3381 3.4250 3.4442 3.7100 3.7212 3.9319 3.9533 4.0411 4.0668 4.3332 4.3827 4.4607 4.5225 4.5855 4.6243 4.6519 4.7099 4.7286 4.7609 4.8841 4.9116 5.0554 5.0763 5.2277 5.2413 6.4092 6.4838 6.6903 6.7759 7.2072 7.2772 7.5706 7.6205 9.5859 9.6016 9.9714 10.0166 12.3219 12.3402 12.5329 12.5423 14.1106 14.1264 k = 0.5000 0.0846 0.5000 ( 5224 PWs) bands (ev): -4.9509 -4.9502 -4.6894 -4.6890 1.8318 1.8436 2.1691 2.1738 2.9711 2.9853 3.1907 3.2239 3.3282 3.3447 3.4286 3.4496 3.7129 3.7264 3.9276 3.9527 4.0403 4.0680 4.3286 4.3869 4.4569 4.5263 4.5811 4.6188 4.6560 4.7140 4.7354 4.7726 4.8808 4.9129 5.0513 5.0763 5.2233 5.2399 6.3633 6.4492 6.6448 6.7418 7.1785 7.2571 7.5470 7.6068 9.6490 9.6676 10.0437 10.0965 12.3258 12.3475 12.5164 12.5281 14.1062 14.1258 k = 0.5000 0.1000 0.5000 ( 5232 PWs) bands (ev): -4.9465 -4.9457 -4.6884 -4.6879 1.8319 1.8459 2.1665 2.1722 2.9562 2.9720 3.1928 3.2313 3.3322 3.3529 3.4336 3.4556 3.7166 3.7324 3.9235 3.9518 4.0403 4.0689 4.3243 4.3900 4.4544 4.5278 4.5783 4.6137 4.6593 4.7156 4.7445 4.7851 4.8781 4.9137 5.0470 5.0759 5.2183 5.2380 6.3124 6.4068 6.5962 6.7008 7.1483 7.2325 7.5198 7.5890 9.7229 9.7438 10.1276 10.1869 12.3315 12.3562 12.4985 12.5126 14.1014 14.1249 k = 0.5000 0.1154 0.5000 ( 5216 PWs) bands (ev): -4.9415 -4.9406 -4.6872 -4.6866 1.8323 1.8486 2.1637 2.1703 2.9383 2.9553 3.1963 3.2397 3.3374 3.3627 3.4401 3.4626 3.7212 3.7393 3.9200 3.9508 4.0409 4.0701 4.3204 4.3922 4.4535 4.5272 4.5774 4.6094 4.6617 4.7165 4.7540 4.7978 4.8767 4.9143 5.0427 5.0751 5.2129 5.2358 6.2573 6.3573 6.5461 6.6547 7.1167 7.2038 7.4891 7.5672 9.8063 9.8294 10.2214 10.2863 12.3389 12.3666 12.4797 12.4970 14.0961 14.1240 k = 0.5000 0.1308 0.5000 ( 5208 PWs) bands (ev): -4.9359 -4.9348 -4.6859 -4.6853 1.8329 1.8514 2.1605 2.1682 2.9173 2.9350 3.2011 3.2492 3.3438 3.3741 3.4480 3.4706 3.7264 3.7469 3.9174 3.9500 4.0418 4.0719 4.3168 4.3936 4.4536 4.5247 4.5776 4.6061 4.6631 4.7170 4.7629 4.8094 4.8771 4.9147 5.0383 5.0737 5.2070 5.2330 6.1984 6.3011 6.4961 6.6051 7.0838 7.1716 7.4551 7.5415 9.8984 9.9230 10.3236 10.3931 12.3480 12.3783 12.4608 12.4828 14.0905 14.1232 k = 0.5000 0.1462 0.5000 ( 5216 PWs) bands (ev): -4.9297 -4.9286 -4.6845 -4.6838 1.8337 1.8545 2.1570 2.1658 2.8929 2.9111 3.2073 3.2598 3.3513 3.3868 3.4570 3.4797 3.7321 3.7549 3.9159 3.9497 4.0425 4.0748 4.3133 4.3943 4.4545 4.5208 4.5781 4.6042 4.6636 4.7172 4.7703 4.8191 4.8798 4.9150 5.0339 5.0719 5.2007 5.2298 6.1364 6.2388 6.4474 6.5537 7.0495 7.1363 7.4178 7.5120 9.9980 10.0238 10.4326 10.5056 12.3573 12.3908 12.4434 12.4725 14.0845 14.1226 k = 0.5000 0.1615 0.5000 ( 5196 PWs) bands (ev): -4.9230 -4.9218 -4.6829 -4.6822 1.8348 1.8580 2.1533 2.1633 2.8652 2.8839 3.2150 3.2717 3.3603 3.4010 3.4672 3.4903 3.7384 3.7632 3.9160 3.9503 4.0430 4.0791 4.3100 4.3947 4.4556 4.5164 4.5781 4.6042 4.6634 4.7173 4.7758 4.8267 4.8847 4.9159 5.0299 5.0699 5.1942 5.2263 6.0717 6.1717 6.4008 6.5023 7.0138 7.0982 7.3777 7.4790 10.1039 10.1306 10.5468 10.6225 12.3639 12.3995 12.4328 12.4700 14.0783 14.1225 k = 0.5000 0.1769 0.5000 ( 5204 PWs) bands (ev): -4.9158 -4.9146 -4.6812 -4.6805 1.8362 1.8617 2.1493 2.1605 2.8343 2.8540 3.2240 3.2846 3.3705 3.4161 3.4783 3.5023 3.7449 3.7711 3.9175 3.9522 4.0431 4.0847 4.3067 4.3949 4.4562 4.5116 4.5773 4.6059 4.6624 4.7170 4.7786 4.8322 4.8902 4.9181 5.0259 5.0673 5.1874 5.2224 6.0048 6.1006 6.3567 6.4520 6.9765 7.0577 7.3349 7.4426 10.2152 10.2423 10.6648 10.7422 12.3640 12.3934 12.4420 12.4790 14.0720 14.1231 k = 0.5000 0.1923 0.5000 ( 5220 PWs) bands (ev): -4.9083 -4.9070 -4.6795 -4.6787 1.8379 1.8657 2.1450 2.1576 2.8002 2.8216 3.2344 3.2987 3.3819 3.4320 3.4905 3.5157 3.7517 3.7785 3.9205 3.9560 4.0431 4.0916 4.3035 4.3950 4.4560 4.5070 4.5760 4.6088 4.6607 4.7165 4.7790 4.8362 4.8944 4.9225 5.0221 5.0642 5.1805 5.2182 5.9361 6.0269 6.3155 6.4039 6.9379 7.0153 7.2898 7.4032 10.3308 10.3580 10.7851 10.8633 12.3576 12.3795 12.4659 12.4996 14.0657 14.1246 k = 0.5000 0.2077 0.5000 ( 5224 PWs) bands (ev): -4.9005 -4.8991 -4.6777 -4.6769 1.8400 1.8701 2.1406 2.1547 2.7635 2.7875 3.2460 3.3139 3.3945 3.4484 3.5039 3.5304 3.7588 3.7852 3.9246 3.9624 4.0433 4.0998 4.3004 4.3953 4.4547 4.5029 4.5749 4.6127 4.6583 4.7157 4.7775 4.8391 4.8964 4.9289 5.0185 5.0606 5.1737 5.2137 5.8662 5.9516 6.2775 6.3591 6.8980 6.9714 7.2426 7.3610 10.4495 10.4766 10.9063 10.9841 12.3476 12.3652 12.4982 12.5296 14.0595 14.1273 k = 0.5000 0.2231 0.5000 ( 5224 PWs) bands (ev): -4.8924 -4.8909 -4.6758 -4.6750 1.8424 1.8748 2.1360 2.1517 2.7244 2.7518 3.2588 3.3301 3.4081 3.4649 3.5184 3.5463 3.7661 3.7910 3.9295 3.9717 4.0439 4.1091 4.2973 4.3958 4.4521 4.4994 4.5741 4.6169 4.6553 4.7146 4.7743 4.8408 4.8968 4.9359 5.0152 5.0564 5.1670 5.2090 5.7957 5.8759 6.2429 6.3181 6.8572 6.9263 7.1937 7.3164 10.5703 10.5971 11.0271 11.1033 12.3366 12.3522 12.5374 12.5683 14.0536 14.1314 k = 0.5000 0.2385 0.5000 ( 5216 PWs) bands (ev): -4.8841 -4.8826 -4.6739 -4.6731 1.8452 1.8800 2.1312 2.1487 2.6836 2.7149 3.2727 3.3472 3.4227 3.4814 3.5340 3.5631 3.7737 3.7961 3.9350 3.9836 4.0453 4.1196 4.2942 4.3964 4.4482 4.4964 4.5737 4.6212 4.6517 4.7133 4.7699 4.8415 4.8962 4.9422 5.0120 5.0516 5.1605 5.2042 5.7250 5.8005 6.2118 6.2814 6.8157 6.8804 7.1433 7.2696 10.6921 10.7184 11.1459 11.2192 12.3259 12.3410 12.5830 12.6158 14.0480 14.1370 k = 0.5000 0.2538 0.5000 ( 5224 PWs) bands (ev): -4.8757 -4.8742 -4.6720 -4.6712 1.8485 1.8855 2.1264 2.1458 2.6414 2.6772 3.2876 3.3649 3.4380 3.4975 3.5504 3.5805 3.7817 3.8007 3.9410 3.9972 4.0479 4.1310 4.2911 4.3972 4.4431 4.4939 4.5738 4.6255 4.6473 4.7116 4.7644 4.8411 4.8946 4.9469 5.0087 5.0458 5.1541 5.1990 5.6548 5.7263 6.1845 6.2493 6.7739 6.8342 7.0918 7.2209 10.8136 10.8395 11.2615 11.3305 12.3163 12.3319 12.6350 12.6732 14.0430 14.1444 k = 0.5000 0.2692 0.5000 ( 5220 PWs) bands (ev): -4.8672 -4.8658 -4.6701 -4.6693 1.8523 1.8915 2.1215 2.1430 2.5985 2.6389 3.3033 3.3831 3.4540 3.5134 3.5672 3.5984 3.7903 3.8053 3.9475 4.0112 4.0528 4.1436 4.2882 4.3980 4.4372 4.4917 4.5742 4.6294 4.6425 4.7098 4.7582 4.8401 4.8924 4.9500 5.0050 5.0391 5.1478 5.1935 5.5857 5.6542 6.1611 6.2222 6.7321 6.7881 7.0395 7.1707 10.9335 10.9591 11.3725 11.4360 12.3084 12.3252 12.6936 12.7408 14.0387 14.1538 k = 0.5000 0.2846 0.5000 ( 5204 PWs) bands (ev): -4.8588 -4.8574 -4.6682 -4.6674 1.8567 1.8979 2.1166 2.1404 2.5552 2.6004 3.3198 3.4016 3.4705 3.5289 3.5839 3.6164 3.7996 3.8103 3.9548 4.0236 4.0617 4.1572 4.2855 4.3989 4.4309 4.4898 4.5749 4.6316 4.6383 4.7079 4.7512 4.8386 4.8894 4.9512 5.0003 5.0319 5.1413 5.1875 5.5183 5.5851 6.1420 6.2002 6.6907 6.7425 6.9867 7.1193 11.0504 11.0758 11.4778 11.5350 12.3023 12.3209 12.7594 12.8188 14.0352 14.1651 k = 0.5000 0.3000 0.5000 ( 5188 PWs) bands (ev): -4.8506 -4.8492 -4.6663 -4.6655 1.8616 1.9048 2.1116 2.1380 2.5120 2.5620 3.3368 3.4201 3.4874 3.5440 3.6001 3.6339 3.8095 3.8165 3.9626 4.0332 4.0751 4.1718 4.2832 4.3994 4.4245 4.4881 4.5757 4.6278 4.6392 4.7058 4.7436 4.8369 4.8856 4.9506 4.9939 5.0244 5.1343 5.1807 5.4531 5.5200 6.1272 6.1833 6.6502 6.6978 6.9336 7.0670 11.1625 11.1882 11.5765 11.6274 12.2982 12.3191 12.8328 12.9067 14.0328 14.1784 k = 0.5000 0.3154 0.5000 ( 5196 PWs) bands (ev): -4.8425 -4.8412 -4.6645 -4.6637 1.8672 1.9121 2.1067 2.1360 2.4692 2.5239 3.3542 3.4383 3.5044 3.5587 3.6150 3.6505 3.8192 3.8248 3.9708 4.0411 4.0915 4.1870 4.2813 4.3990 4.4187 4.4863 4.5761 4.6209 4.6420 4.7034 4.7353 4.8347 4.8809 4.9484 4.9851 5.0171 5.1264 5.1727 5.3908 5.4597 6.1167 6.1714 6.6109 6.6544 6.8805 7.0141 11.2682 11.2945 11.6682 11.7136 12.2962 12.3200 12.9139 13.0036 14.0315 14.1933 k = 0.5000 0.3308 0.5000 ( 5200 PWs) bands (ev): -4.8348 -4.8335 -4.6627 -4.6620 1.8735 1.9199 2.1018 2.1342 2.4272 2.4866 3.3719 3.4557 3.5216 3.5732 3.6285 3.6654 3.8287 3.8358 3.9796 4.0491 4.1089 4.2027 4.2804 4.3970 4.4147 4.4846 4.5762 4.6131 4.6446 4.7007 4.7268 4.8323 4.8755 4.9443 4.9738 5.0105 5.1175 5.1630 5.3325 5.4050 6.1109 6.1645 6.5733 6.6127 6.8277 6.9608 11.3657 11.3928 11.7529 11.7946 12.2961 12.3235 13.0025 13.1083 14.0314 14.2090 k = 0.5000 0.3462 0.5000 ( 5208 PWs) bands (ev): -4.8274 -4.8261 -4.6611 -4.6604 1.8805 1.9281 2.0970 2.1330 2.3863 2.4501 3.3896 3.4720 3.5388 3.5872 3.6404 3.6782 3.8391 3.8484 3.9889 4.0583 4.1262 4.2180 4.2808 4.3926 4.4131 4.4827 4.5756 4.6051 4.6467 4.6971 4.7186 4.8295 4.8692 4.9374 4.9618 5.0044 5.1073 5.1511 5.2796 5.3568 6.1095 6.1624 6.5376 6.5732 6.7754 6.9076 11.4534 11.4811 11.8312 11.8715 12.2980 12.3296 13.0976 13.2193 14.0327 14.2241 k = 0.5000 0.3615 0.5000 ( 5208 PWs) bands (ev): -4.8204 -4.8193 -4.6595 -4.6589 1.8884 1.9368 2.0922 2.1323 2.3468 2.4148 3.4072 3.4869 3.5558 3.6009 3.6509 3.6884 3.8507 3.8614 3.9991 4.0696 4.1427 4.2318 4.2832 4.3870 4.4135 4.4807 4.5739 4.5975 4.6479 4.6921 4.7119 4.8262 4.8616 4.9249 4.9525 4.9989 5.0958 5.1362 5.2341 5.3152 6.1125 6.1650 6.5043 6.5365 6.7238 6.8547 11.5301 11.5578 11.9038 11.9451 12.3017 12.3382 13.1982 13.3347 14.0353 14.2357 k = 0.5000 0.3769 0.5000 ( 5224 PWs) bands (ev): -4.8140 -4.8129 -4.6581 -4.6575 1.8970 1.9457 2.0877 2.1323 2.3090 2.3809 3.4244 3.5000 3.5725 3.6141 3.6598 3.6958 3.8631 3.8741 4.0105 4.0830 4.1578 4.2425 4.2879 4.3812 4.4150 4.4781 4.5704 4.5908 4.6477 4.6853 4.7073 4.8223 4.8521 4.9069 4.9472 4.9937 5.0827 5.1179 5.1979 5.2799 6.1198 6.1720 6.4734 6.5030 6.6733 6.8023 11.5954 11.6221 11.9711 12.0151 12.3070 12.3492 13.3028 13.4527 14.0391 14.2408 k = 0.5000 0.3923 0.5000 ( 5216 PWs) bands (ev): -4.8081 -4.8071 -4.6567 -4.6562 1.9065 1.9549 2.0833 2.1331 2.2731 2.3487 3.4411 3.5110 3.5888 3.6268 3.6675 3.7007 3.8753 3.8861 4.0239 4.0988 4.1714 4.2495 4.2943 4.3765 4.4171 4.4752 4.5650 4.5856 4.6456 4.6789 4.7044 4.8175 4.8396 4.8870 4.9449 4.9891 5.0682 5.0974 5.1718 5.2502 6.1311 6.1831 6.4448 6.4737 6.6240 6.7509 11.6495 11.6742 12.0328 12.0804 12.3139 12.3623 13.4097 13.5714 14.0439 14.2391 k = 0.5000 0.4077 0.5000 ( 5208 PWs) bands (ev): -4.8029 -4.8020 -4.6556 -4.6551 1.9169 1.9641 2.0794 2.1347 2.2394 2.3182 3.4569 3.5198 3.6044 3.6387 3.6740 3.7033 3.8865 3.8969 4.0395 4.1165 4.1833 4.2531 4.3007 4.3734 4.4193 4.4719 4.5583 4.5810 4.6413 4.6748 4.7024 4.8108 4.8235 4.8690 4.9448 4.9851 5.0523 5.0777 5.1538 5.2252 6.1461 6.1979 6.4184 6.4496 6.5763 6.7008 11.6932 11.7152 12.0880 12.1393 12.3226 12.3768 13.5171 13.6889 14.0494 14.2334 k = 0.5000 0.4231 0.5000 ( 5212 PWs) bands (ev): -4.7983 -4.7976 -4.6545 -4.6542 1.9279 1.9729 2.0760 2.1373 2.2084 2.2898 3.4717 3.5261 3.6192 3.6497 3.6793 3.7038 3.8959 3.9061 4.0575 4.1356 4.1932 4.2536 4.3055 4.3723 4.4207 4.4684 4.5512 4.5757 4.6367 4.6734 4.7004 4.7946 4.8120 4.8544 4.9466 4.9820 5.0364 5.0603 5.1416 5.2038 6.1644 6.2158 6.3939 6.4313 6.5302 6.6523 11.7278 11.7465 12.1355 12.1890 12.3341 12.3919 13.6227 13.8030 14.0553 14.2274 k = 0.5000 0.4385 0.5000 ( 5232 PWs) bands (ev): -4.7945 -4.7939 -4.6537 -4.6534 1.9395 1.9806 2.0736 2.1404 2.1809 2.2635 3.4852 3.5300 3.6331 3.6594 3.6833 3.7023 3.9035 3.9132 4.0775 4.1547 4.2008 4.2513 4.3092 4.3720 4.4208 4.4652 4.5445 4.5692 4.6343 4.6737 4.6980 4.7707 4.8068 4.8425 4.9505 4.9797 5.0221 5.0448 5.1336 5.1852 6.1856 6.2359 6.3715 6.4196 6.4862 6.6058 11.7546 11.7697 12.1748 12.2264 12.3496 12.4061 13.7236 13.9101 14.0625 14.2239 k = 0.5000 0.4538 0.5000 ( 5228 PWs) bands (ev): -4.7915 -4.7911 -4.6530 -4.6528 1.9514 1.9863 2.0731 2.1397 2.1619 2.2397 3.4973 3.5317 3.6459 3.6678 3.6861 3.6992 3.9096 3.9182 4.0990 4.1714 4.2060 4.2470 4.3131 4.3704 4.4209 4.4617 4.5393 4.5618 4.6357 4.6747 4.6953 4.7472 4.8039 4.8322 4.9561 4.9786 5.0107 5.0307 5.1293 5.1693 6.2092 6.2572 6.3515 6.4151 6.4450 6.5620 11.7746 11.7860 12.2060 12.2497 12.3694 12.4178 13.8162 13.9973 14.0805 14.2254 k = 0.5000 0.4692 0.5000 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6524 1.9630 1.9889 2.0756 2.1250 2.1622 2.2184 3.5078 3.5311 3.6576 3.6743 3.6875 3.6949 3.9145 3.9210 4.1209 4.1800 4.2114 4.2418 4.3190 4.3640 4.4239 4.4566 4.5367 4.5542 4.6408 4.6738 4.6937 4.7273 4.8032 4.8230 4.9631 4.9785 5.0023 5.0178 5.1285 5.1558 6.2340 6.2774 6.3347 6.4048 6.4210 6.5216 11.7888 11.7964 12.2298 12.2608 12.3905 12.4250 13.8957 14.0282 14.1406 14.2344 k = 0.5000 0.4846 0.5000 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9736 1.9875 2.0820 2.1073 2.1713 2.1998 3.5165 3.5283 3.6678 3.6780 3.6875 3.6902 3.9182 3.9217 4.1421 4.1752 4.2202 4.2363 4.3281 4.3530 4.4308 4.4491 4.5376 4.5472 4.6488 4.6679 4.6960 4.7125 4.8049 4.8152 4.9704 4.9784 4.9977 5.0067 5.1310 5.1448 6.2583 6.2890 6.3278 6.3713 6.4335 6.4857 11.7979 11.8017 12.2469 12.2628 12.4086 12.4264 13.9574 14.0224 14.2148 14.2518 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.4911 0.4911 0.4911 ( 5232 PWs) bands (ev): -4.7880 -4.7878 -4.6522 -4.6521 1.9796 1.9855 2.0711 2.1156 2.1638 2.2060 3.5135 3.5318 3.6651 3.6850 3.6857 3.6878 3.9187 3.9213 4.1478 4.1714 4.2139 4.2420 4.3256 4.3558 4.4236 4.4563 4.5368 4.5461 4.6569 4.6615 4.6898 4.7182 4.8060 4.8105 4.9740 4.9781 4.9910 5.0079 5.1336 5.1465 6.2755 6.2864 6.3025 6.3852 6.4241 6.4922 11.7949 11.7952 12.2431 12.2708 12.4045 12.4357 13.9756 14.0124 14.2269 14.2879 k = 0.4821 0.4821 0.4821 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6524 1.9778 1.9896 2.0510 2.1399 2.1452 2.2295 3.5023 3.5382 3.6541 3.6796 3.6860 3.6954 3.9155 3.9203 4.1326 4.1776 4.1964 4.2516 4.3144 4.3711 4.4083 4.4722 4.5336 4.5499 4.6571 4.6656 4.6804 4.7369 4.8019 4.8101 4.9708 4.9813 4.9842 5.0173 5.1381 5.1624 6.2631 6.2712 6.2990 6.4015 6.4284 6.5318 11.7737 11.7743 12.2266 12.2818 12.3868 12.4488 13.9439 14.0129 14.1892 14.2643 k = 0.4732 0.4732 0.4732 ( 5229 PWs) bands (ev): -4.7916 -4.7911 -4.6530 -4.6529 1.9764 1.9946 2.0323 2.1287 2.1654 2.2544 3.4903 3.5421 3.6428 3.6714 3.6828 3.7047 3.9113 3.9177 4.1161 4.1773 4.1790 4.2576 4.3079 4.3845 4.3947 4.4868 4.5325 4.5521 4.6594 4.6704 4.6743 4.7580 4.7975 4.8082 4.9662 4.9793 4.9872 5.0272 5.1491 5.1825 6.2251 6.2604 6.3177 6.3940 6.4727 6.5734 11.7390 11.7403 12.2087 12.2910 12.3679 12.4598 13.9048 13.9961 14.1477 14.2071 k = 0.4643 0.4643 0.4643 ( 5220 PWs) bands (ev): -4.7947 -4.7941 -4.6538 -4.6535 1.9755 2.0006 2.0151 2.1144 2.1923 2.2806 3.4774 3.5425 3.6310 3.6605 3.6791 3.7135 3.9064 3.9134 4.0992 4.1572 4.1755 4.2598 4.3064 4.3833 4.3948 4.4994 4.5341 4.5522 4.6639 4.6711 4.6758 4.7801 4.7937 4.8054 4.9608 4.9775 4.9961 5.0378 5.1648 5.2055 6.1885 6.2400 6.3428 6.4045 6.5180 6.6166 11.6921 11.6941 12.1898 12.2983 12.3481 12.4686 13.8590 13.9581 14.1032 14.1381 k = 0.4554 0.4554 0.4554 ( 5232 PWs) bands (ev): -4.7986 -4.7979 -4.6547 -4.6543 1.9748 1.9994 2.0075 2.1024 2.2202 2.3079 3.4640 3.5388 3.6189 3.6470 3.6761 3.7219 3.9009 3.9074 4.0819 4.1363 4.1684 4.2580 4.3088 4.3742 4.4018 4.5098 4.5381 4.5501 4.6701 4.6706 4.6816 4.7911 4.8013 4.8026 4.9550 4.9801 5.0084 5.0492 5.1835 5.2299 6.1532 6.2131 6.3743 6.4299 6.5643 6.6612 11.6343 11.6371 12.1703 12.3038 12.3275 12.4749 13.8062 13.8984 14.0562 14.0626 k = 0.4464 0.4464 0.4464 ( 5220 PWs) bands (ev): -4.8034 -4.8026 -4.6559 -4.6554 1.9741 1.9854 2.0155 2.0932 2.2494 2.3364 3.4502 3.5304 3.6065 3.6314 3.6747 3.7299 3.8948 3.9000 4.0650 4.1154 4.1594 4.2526 4.3136 4.3674 4.4060 4.5179 4.5439 4.5465 4.6725 4.6777 4.6878 4.7903 4.8004 4.8191 4.9497 4.9889 5.0242 5.0625 5.2037 5.2548 6.1194 6.1832 6.4121 6.4665 6.6115 6.7071 11.5673 11.5709 12.1506 12.3065 12.3074 12.4787 13.7455 13.8215 13.9852 14.0075 k = 0.4375 0.4375 0.4375 ( 5226 PWs) bands (ev): -4.8090 -4.8081 -4.6572 -4.6566 1.9728 1.9732 2.0245 2.0869 2.2797 2.3659 3.4360 3.5173 3.5938 3.6137 3.6752 3.7374 3.8883 3.8914 4.0486 4.0946 4.1496 4.2444 4.3191 4.3623 4.4079 4.5238 4.5417 4.5503 4.6761 4.6858 4.6945 4.7913 4.7990 4.8315 4.9449 5.0037 5.0433 5.0794 5.2241 5.2793 6.0869 6.1522 6.4554 6.5118 6.6594 6.7543 11.4929 11.4972 12.1310 12.2852 12.3089 12.4796 13.6758 13.7326 13.9095 13.9578 k = 0.4286 0.4286 0.4286 ( 5238 PWs) bands (ev): -4.8153 -4.8144 -4.6588 -4.6580 1.9619 1.9721 2.0345 2.0836 2.3109 2.3964 3.4215 3.5003 3.5810 3.5946 3.6775 3.7443 3.8814 3.8817 4.0329 4.0743 4.1398 4.2340 4.3243 4.3583 4.4086 4.5279 4.5367 4.5565 4.6807 4.6941 4.7015 4.7943 4.7984 4.8386 4.9407 5.0212 5.0659 5.1028 5.2440 5.3028 6.0559 6.1212 6.5038 6.5644 6.7078 6.8027 11.4130 11.4179 12.1118 12.2639 12.3082 12.4776 13.5962 13.6355 13.8387 13.9077 k = 0.4196 0.4196 0.4196 ( 5232 PWs) bands (ev): -4.8225 -4.8216 -4.6606 -4.6596 1.9526 1.9708 2.0457 2.0834 2.3432 2.4277 3.4070 3.4803 3.5682 3.5745 3.6814 3.7507 3.8713 3.8741 4.0181 4.0549 4.1302 4.2224 4.3286 4.3549 4.4089 4.5305 4.5321 4.5620 4.6857 4.7024 4.7089 4.7985 4.7993 4.8420 4.9374 5.0375 5.0919 5.1353 5.2630 5.3250 6.0263 6.0908 6.5563 6.6232 6.7568 6.8525 11.3294 11.3347 12.0932 12.2428 12.3051 12.4724 13.5070 13.5327 13.7739 13.8578 k = 0.4107 0.4107 0.4107 ( 5232 PWs) bands (ev): -4.8305 -4.8295 -4.6626 -4.6614 1.9450 1.9694 2.0580 2.0861 2.3763 2.4597 3.3925 3.4583 3.5539 3.5554 3.6862 3.7564 3.8604 3.8666 4.0040 4.0364 4.1210 4.2100 4.3313 4.3516 4.4090 4.5285 4.5320 4.5667 4.6904 4.7104 4.7162 4.7991 4.8061 4.8434 4.9348 5.0505 5.1210 5.1766 5.2805 5.3458 5.9982 6.0611 6.6118 6.6869 6.8060 6.9038 11.2438 11.2494 12.0754 12.2220 12.2994 12.4639 13.4098 13.4259 13.7150 13.8084 k = 0.4018 0.4018 0.4018 ( 5223 PWs) bands (ev): -4.8392 -4.8383 -4.6647 -4.6633 1.9391 1.9683 2.0714 2.0916 2.4103 2.4924 3.3781 3.4352 3.5335 3.5428 3.6918 3.7613 3.8492 3.8587 3.9908 4.0193 4.1122 4.1972 4.3322 4.3483 4.4094 4.5265 4.5325 4.5706 4.6945 4.7181 4.7232 4.7999 4.8144 4.8444 4.9330 5.0609 5.1531 5.2245 5.2966 5.3650 5.9717 6.0325 6.6691 6.7544 6.8553 6.9566 11.1579 11.1637 12.0586 12.2019 12.2911 12.4521 13.3067 13.3164 13.6612 13.7602 k = 0.3929 0.3929 0.3929 ( 5226 PWs) bands (ev): -4.8488 -4.8479 -4.6670 -4.6654 1.9348 1.9677 2.0861 2.0995 2.4450 2.5256 3.3638 3.4118 3.5135 3.5305 3.6977 3.7652 3.8377 3.8506 3.9781 4.0036 4.1034 4.1842 4.3311 4.3449 4.4102 4.5264 4.5321 4.5741 4.6977 4.7253 4.7295 4.8006 4.8240 4.8458 4.9318 5.0694 5.1876 5.2768 5.3110 5.3829 5.9469 6.0051 6.7267 6.8243 6.9046 7.0111 11.0733 11.0791 12.0430 12.1827 12.2800 12.4368 13.1997 13.2051 13.6118 13.7134 k = 0.3839 0.3839 0.3839 ( 5226 PWs) bands (ev): -4.8591 -4.8582 -4.6693 -4.6675 1.9323 1.9680 2.1019 2.1097 2.4804 2.5592 3.3498 3.3886 3.4943 3.5185 3.7038 3.7680 3.8262 3.8422 3.9660 3.9896 4.0948 4.1713 4.3282 4.3411 4.4117 4.5283 4.5309 4.5775 4.6998 4.7319 4.7348 4.8013 4.8346 4.8482 4.9314 5.0767 5.2240 5.3239 5.3320 5.3996 5.9241 5.9793 6.7833 6.8954 6.9536 7.0671 10.9914 10.9972 12.0287 12.1645 12.2660 12.4181 13.0902 13.0928 13.5663 13.6682 k = 0.3750 0.3750 0.3750 ( 5217 PWs) bands (ev): -4.8701 -4.8694 -4.6718 -4.6697 1.9315 1.9693 2.1189 2.1220 2.5164 2.5933 3.3362 3.3663 3.4765 3.5070 3.7099 3.7694 3.8150 3.8336 3.9543 3.9775 4.0861 4.1586 4.3237 4.3372 4.4139 4.5291 4.5323 4.5810 4.7011 4.7379 4.7391 4.8019 4.8460 4.8516 4.9316 5.0832 5.2613 5.3354 5.3885 5.4158 5.9037 5.9552 6.8379 6.9663 7.0022 7.1242 10.9136 10.9194 12.0159 12.1476 12.2490 12.3960 12.9795 12.9804 13.5245 13.6249 k = 0.3661 0.3661 0.3661 ( 5211 PWs) bands (ev): -4.8820 -4.8813 -4.6742 -4.6719 1.9324 1.9718 2.1362 2.1372 2.5529 2.6275 3.3231 3.3452 3.4602 3.4961 3.7156 3.7694 3.8043 3.8248 3.9428 3.9675 4.0773 4.1462 4.3182 4.3328 4.4167 4.5265 4.5381 4.5848 4.7019 4.7424 4.7430 4.8027 4.8561 4.8577 4.9325 5.0890 5.2983 5.3456 5.4319 5.4448 5.8866 5.9332 6.8896 7.0355 7.0501 7.1818 10.8415 10.8471 12.0048 12.1322 12.2290 12.3705 12.8686 12.8687 13.4863 13.5832 k = 0.3571 0.3571 0.3571 ( 5211 PWs) bands (ev): -4.8946 -4.8940 -4.6767 -4.6742 1.9350 1.9757 2.1522 2.1567 2.5897 2.6618 3.3105 3.3255 3.4455 3.4859 3.7207 3.7677 3.7943 3.8159 3.9315 3.9597 4.0683 4.1340 4.3118 4.3280 4.4203 4.5234 4.5454 4.5891 4.7023 4.7447 4.7471 4.8038 4.8614 4.8694 4.9340 5.0943 5.3332 5.3545 5.4490 5.4989 5.8740 5.9139 6.9376 7.0972 7.1014 7.2387 10.7761 10.7816 11.9955 12.1185 12.2059 12.3417 12.7582 12.7586 13.4519 13.5307 k = 0.3482 0.3482 0.3482 ( 5217 PWs) bands (ev): -4.9080 -4.9075 -4.6791 -4.6764 1.9393 1.9811 2.1699 2.1775 2.6268 2.6961 3.2986 3.3075 3.4326 3.4764 3.7246 3.7645 3.7857 3.8068 3.9202 3.9540 4.0590 4.1223 4.3050 4.3228 4.4246 4.5199 4.5542 4.5939 4.7029 4.7461 4.7498 4.8055 4.8671 4.8807 4.9362 5.0991 5.3623 5.3640 5.4683 5.5480 5.8686 5.8980 6.9816 7.1432 7.1625 7.2937 10.7186 10.7239 11.9881 12.1066 12.1797 12.3097 12.6500 12.6504 13.4213 13.4314 k = 0.3393 0.3393 0.3393 ( 5220 PWs) bands (ev): -4.9221 -4.9217 -4.6815 -4.6785 1.9453 1.9880 2.1893 2.1996 2.6641 2.7303 3.2877 3.2915 3.4216 3.4677 3.7268 3.7599 3.7792 3.7977 3.9089 3.9503 4.0494 4.1109 4.2980 4.3170 4.4297 4.5162 4.5641 4.5992 4.7038 4.7467 4.7514 4.8079 4.8732 4.8911 4.9394 5.1034 5.3691 5.3887 5.4903 5.5877 5.8742 5.8867 7.0215 7.1879 7.2175 7.3455 10.6699 10.6750 11.9828 12.0969 12.1505 12.2746 12.5448 12.5449 13.3264 13.3946 k = 0.3304 0.3304 0.3304 ( 5220 PWs) bands (ev): -4.9369 -4.9366 -4.6837 -4.6806 1.9530 1.9964 2.2103 2.2229 2.7014 2.7641 3.2774 3.2778 3.4123 3.4599 3.7265 3.7540 3.7755 3.7886 3.8976 3.9484 4.0394 4.1001 4.2910 4.3106 4.4355 4.5124 4.5749 4.6051 4.7055 4.7466 4.7517 4.8111 4.8795 4.9001 4.9440 5.1075 5.3751 5.4072 5.5135 5.6140 5.8813 5.8944 7.0570 7.2311 7.2649 7.3925 10.6306 10.6353 11.9795 12.0892 12.1182 12.2365 12.4431 12.4441 13.2164 13.3582 k = 0.3214 0.3214 0.3214 ( 5217 PWs) bands (ev): -4.9525 -4.9522 -4.6858 -4.6825 1.9624 2.0065 2.2329 2.2475 2.7385 2.7975 3.2655 3.2690 3.4048 3.4531 3.7236 3.7473 3.7748 3.7796 3.8863 3.9479 4.0293 4.0897 4.2841 4.3037 4.4419 4.5089 4.5864 4.6115 4.7078 4.7460 4.7511 4.8150 4.8856 4.9073 4.9501 5.1112 5.3804 5.4206 5.5350 5.6258 5.8837 5.9301 7.0880 7.2727 7.3036 7.4338 10.6007 10.6049 11.9783 12.0830 12.0835 12.1956 12.3464 12.3490 13.1022 13.2449 k = 0.3125 0.3125 0.3125 ( 5211 PWs) bands (ev): -4.9687 -4.9685 -4.6878 -4.6843 1.9735 2.0183 2.2571 2.2733 2.7755 2.8303 3.2557 3.2615 3.3991 3.4473 3.7190 3.7401 3.7706 3.7762 3.8750 3.9483 4.0190 4.0800 4.2774 4.2962 4.4490 4.5057 4.5984 4.6183 4.7110 4.7450 4.7500 4.8195 4.8915 4.9124 4.9579 5.1147 5.3851 5.4304 5.5516 5.6262 5.8952 5.9779 7.1142 7.3123 7.3326 7.4685 10.5795 10.5831 11.9788 12.0450 12.0794 12.1523 12.2562 12.2611 12.9853 13.1210 k = 0.3036 0.3036 0.3036 ( 5217 PWs) bands (ev): -4.9855 -4.9854 -4.6896 -4.6859 1.9863 2.0317 2.2828 2.3003 2.8120 2.8623 3.2480 3.2552 3.3949 3.4424 3.7136 3.7327 3.7617 3.7789 3.8636 3.9492 4.0085 4.0708 4.2707 4.2882 4.4565 4.5029 4.6107 4.6254 4.7150 4.7438 4.7487 4.8244 4.8971 4.9157 4.9668 5.1177 5.3892 5.4375 5.5618 5.6190 5.9160 6.0335 7.1352 7.3499 7.3515 7.4963 10.5658 10.5685 11.9804 12.0044 12.0736 12.1097 12.1744 12.1826 12.8670 12.9925 k = 0.2946 0.2946 0.2946 ( 5223 PWs) bands (ev): -5.0029 -5.0029 -4.6911 -4.6873 2.0006 2.0468 2.3099 2.3286 2.8479 2.8934 3.2425 3.2504 3.3923 3.4386 3.7080 3.7254 3.7530 3.7821 3.8523 3.9503 3.9980 4.0622 4.2641 4.2798 4.4645 4.5008 4.6230 4.6325 4.7199 4.7424 4.7477 4.8296 4.9023 4.9177 4.9765 5.1205 5.3928 5.4426 5.5658 5.6075 5.9453 6.0934 7.1506 7.3601 7.3853 7.5173 10.5570 10.5587 11.9615 11.9824 12.0447 12.0881 12.1035 12.1157 12.7496 12.8627 k = 0.2857 0.2857 0.2857 ( 5220 PWs) bands (ev): -5.0208 -5.0208 -4.6924 -4.6885 2.0166 2.0635 2.3385 2.3580 2.8830 2.9234 3.2391 3.2470 3.3912 3.4359 3.7029 3.7184 3.7446 3.7854 3.8410 3.9512 3.9878 4.0544 4.2574 4.2714 4.4730 4.4994 4.6351 4.6396 4.7256 4.7411 4.7475 4.8351 4.9070 4.9186 4.9866 5.1230 5.3961 5.4459 5.5651 5.5935 5.9812 6.1557 7.1600 7.3588 7.4182 7.5322 10.5501 10.5506 11.9156 11.9833 11.9943 12.0471 12.0627 12.0846 12.6366 12.7346 k = 0.2768 0.2768 0.2768 ( 5214 PWs) bands (ev): -5.0393 -5.0392 -4.6935 -4.6895 2.0342 2.0819 2.3684 2.3885 2.9172 2.9522 3.2377 3.2450 3.3915 3.4342 3.6984 3.7120 3.7364 3.7886 3.8299 3.9514 3.9778 4.0474 4.2507 4.2632 4.4818 4.4987 4.6463 4.6465 4.7321 4.7403 4.7485 4.8408 4.9114 4.9187 4.9968 5.1251 5.3990 5.4472 5.5617 5.5783 6.0217 6.2189 7.1630 7.3480 7.4486 7.5419 10.5401 10.5410 11.8653 11.9381 11.9806 12.0101 12.0246 12.0799 12.5332 12.6128 k = 0.2679 0.2679 0.2679 ( 5205 PWs) bands (ev): -5.0581 -5.0580 -4.6943 -4.6903 2.0532 2.1018 2.3995 2.4200 2.9502 2.9797 3.2383 3.2445 3.3931 3.4336 3.6947 3.7063 3.7285 3.7914 3.8190 3.9507 3.9682 4.0413 4.2438 4.2556 4.4908 4.4988 4.6524 4.6568 4.7394 4.7402 4.7511 4.8466 4.9152 4.9182 5.0069 5.1268 5.4017 5.4465 5.5571 5.5624 6.0651 6.2822 7.1591 7.3288 7.4764 7.5476 10.5233 10.5256 11.8098 11.8779 11.9619 11.9966 12.0097 12.0650 12.4481 12.5057 k = 0.2589 0.2589 0.2589 ( 5205 PWs) bands (ev): -5.0772 -5.0771 -4.6949 -4.6908 2.0737 2.1233 2.4318 2.4524 2.9818 3.0056 3.2407 3.2452 3.3959 3.4340 3.6917 3.7013 3.7210 3.7939 3.8083 3.9485 3.9590 4.0361 4.2365 4.2489 4.4995 4.4998 4.6574 4.6656 4.7408 4.7473 4.7559 4.8524 4.9170 4.9186 5.0168 5.1281 5.4042 5.4435 5.5463 5.5529 6.1099 6.3448 7.1484 7.3023 7.5014 7.5503 10.4969 10.5005 11.7497 11.8140 11.9125 12.0085 12.0257 12.0275 12.3911 12.4263 k = 0.2500 0.2500 0.2500 ( 5226 PWs) bands (ev): -5.0967 -5.0965 -4.6953 -4.6911 2.0956 2.1463 2.4652 2.4856 3.0119 3.0300 3.2448 3.2473 3.3997 3.4354 3.6895 3.6970 3.7139 3.7960 3.7979 3.9446 3.9503 4.0321 4.2290 4.2433 4.5008 4.5086 4.6613 4.6726 4.7423 4.7558 4.7628 4.8583 4.9153 4.9213 5.0264 5.1287 5.4065 5.4381 5.5303 5.5499 6.1552 6.4062 7.1311 7.2696 7.5236 7.5510 10.4588 10.4634 11.6859 11.7462 11.8363 11.9574 12.0459 12.0660 12.3667 12.3857 k = 0.2411 0.2411 0.2411 ( 5205 PWs) bands (ev): -5.1163 -5.1161 -4.6954 -4.6912 2.1190 2.1708 2.4996 2.5196 3.0403 3.0528 3.2506 3.2507 3.4047 3.4380 3.6880 3.6938 3.7073 3.7881 3.7979 3.9389 3.9422 4.0295 4.2212 4.2392 4.5028 4.5175 4.6643 4.6781 4.7450 4.7648 4.7719 4.8645 4.9132 4.9237 5.0359 5.1291 5.4089 5.4307 5.5150 5.5487 6.2003 6.4662 7.1079 7.2323 7.5429 7.5504 10.4087 10.4138 11.6190 11.6744 11.7393 11.8593 12.1078 12.1292 12.3704 12.3804 k = 0.2321 0.2321 0.2321 ( 5205 PWs) bands (ev): -5.1360 -5.1358 -4.6952 -4.6911 2.1436 2.1968 2.5348 2.5541 3.0668 3.0740 3.2552 3.2578 3.4105 3.4414 3.6871 3.6912 3.7011 3.7786 3.7996 3.9311 3.9345 4.0282 4.2133 4.2367 4.5053 4.5257 4.6664 4.6820 4.7485 4.7743 4.7827 4.8707 4.9106 4.9256 5.0449 5.1288 5.4113 5.4216 5.5003 5.5493 6.2443 6.5244 7.0796 7.1914 7.5488 7.5594 10.3473 10.3525 11.5493 11.5980 11.6295 11.7463 12.1921 12.2134 12.3949 12.3988 k = 0.2232 0.2232 0.2232 ( 5217 PWs) bands (ev): -5.1558 -5.1555 -4.6948 -4.6907 2.1695 2.2240 2.5705 2.5890 3.0912 3.0935 3.2609 3.2663 3.4172 3.4458 3.6866 3.6893 3.6955 3.7697 3.8011 3.9213 3.9271 4.0283 4.2054 4.2358 4.5083 4.5332 4.6680 4.6848 4.7524 4.7840 4.7943 4.8771 4.9076 4.9268 5.0534 5.1278 5.4113 5.4136 5.4866 5.5513 6.2870 6.5803 7.0475 7.1484 7.5463 7.5729 10.2761 10.2811 11.4770 11.5131 11.5155 11.6292 12.2959 12.3148 12.4326 12.4355 k = 0.2143 0.2143 0.2143 ( 5217 PWs) bands (ev): -5.1755 -5.1753 -4.6942 -4.6902 2.1966 2.2527 2.6068 2.6242 3.1115 3.1135 3.2677 3.2758 3.4246 3.4511 3.6864 3.6881 3.6905 3.7616 3.8028 3.9099 3.9197 4.0299 4.1979 4.2366 4.5118 4.5395 4.6699 4.6866 4.7565 4.7941 4.8064 4.8837 4.9043 4.9276 5.0614 5.1263 5.4006 5.4161 5.4742 5.5546 6.3278 6.6339 7.0128 7.1046 7.5429 7.5837 10.1968 10.2013 11.3938 11.4023 11.4234 11.5166 12.4164 12.4248 12.4776 12.4947 k = 0.2054 0.2054 0.2054 ( 5212 PWs) bands (ev): -5.1951 -5.1949 -4.6934 -4.6894 2.2248 2.2825 2.6433 2.6595 3.1281 3.1336 3.2755 3.2863 3.4326 3.4572 3.6861 3.6864 3.6873 3.7542 3.8048 3.8971 3.9122 4.0331 4.1909 4.2388 4.5156 4.5444 4.6727 4.6878 4.7604 4.8043 4.8181 4.8907 4.9007 4.9278 5.0688 5.1242 5.3899 5.4188 5.4633 5.5588 6.3664 6.6850 6.9768 7.0613 7.5386 7.5917 10.1112 10.1149 11.2742 11.3186 11.3256 11.4146 12.5165 12.5317 12.5507 12.5950 k = 0.1964 0.1964 0.1964 ( 5224 PWs) bands (ev): -5.2145 -5.2143 -4.6925 -4.6885 2.2539 2.3135 2.6799 2.6945 3.1433 3.1514 3.2842 3.2975 3.4410 3.4639 3.6823 3.6863 3.6865 3.7478 3.8072 3.8834 3.9043 4.0376 4.1848 4.2421 4.5197 4.5475 4.6766 4.6884 4.7638 4.8146 4.8289 4.8967 4.8982 4.9274 5.0754 5.1215 5.3795 5.4216 5.4540 5.5635 6.4024 6.7332 6.9407 7.0196 7.5331 7.5970 10.0206 10.0234 11.1558 11.2047 11.2473 11.3217 12.5904 12.5937 12.6963 12.7323 k = 0.1875 0.1875 0.1875 ( 5227 PWs) bands (ev): -5.2337 -5.2335 -4.6913 -4.6874 2.2841 2.3456 2.7162 2.7293 3.1572 3.1670 3.2939 3.3093 3.4497 3.4712 3.6792 3.6858 3.6861 3.7424 3.8099 3.8693 3.8956 4.0435 4.1800 4.2466 4.5240 4.5486 4.6822 4.6884 4.7665 4.8249 4.8380 4.8925 4.9063 4.9263 5.0812 5.1184 5.3699 5.4245 5.4465 5.5686 6.4356 6.7786 6.9055 6.9808 7.5265 7.5996 9.9263 9.9281 11.0396 11.0878 11.1676 11.2332 12.6632 12.6660 12.8509 12.8842 k = 0.1786 0.1786 0.1786 ( 5221 PWs) bands (ev): -5.2525 -5.2523 -4.6900 -4.6862 2.3151 2.3787 2.7521 2.7634 3.1700 3.1805 3.3044 3.3217 3.4585 3.4788 3.6769 3.6846 3.6860 3.7383 3.8128 3.8553 3.8862 4.0507 4.1768 4.2518 4.5286 4.5477 4.6878 4.6895 4.7686 4.8350 4.8453 4.8881 4.9150 4.9247 5.0860 5.1149 5.3614 5.4277 5.4410 5.5735 6.4656 6.8211 6.8725 6.9461 7.5188 7.5998 9.8292 9.8298 10.9266 10.9720 11.0869 11.1462 12.7398 12.7470 13.0124 13.0446 k = 0.1696 0.1696 0.1696 ( 5215 PWs) bands (ev): -5.2709 -5.2707 -4.6885 -4.6849 2.3469 2.4127 2.7873 2.7967 3.1818 3.1918 3.3158 3.3345 3.4674 3.4866 3.6755 3.6829 3.6859 3.7355 3.8157 3.8420 3.8761 4.0589 4.1754 4.2577 4.5331 4.5449 4.6867 4.6982 4.7701 4.8447 4.8503 4.8834 4.9227 4.9241 5.0897 5.1113 5.3541 5.4308 5.4373 5.5781 6.4922 6.8425 6.8606 6.9168 7.5098 7.5976 9.7295 9.7300 10.8174 10.8592 11.0057 11.0601 12.8232 12.8341 13.1790 13.2105 k = 0.1607 0.1607 0.1607 ( 5215 PWs) bands (ev): -5.2888 -5.2886 -4.6870 -4.6834 2.3794 2.4475 2.8213 2.8288 3.1925 3.2010 3.3279 3.3475 3.4761 3.4944 3.6749 3.6802 3.6860 3.7340 3.8178 3.8301 3.8657 4.0678 4.1758 4.2640 4.5376 4.5406 4.6850 4.7075 4.7713 4.8531 4.8534 4.8784 4.9208 4.9332 5.0922 5.1077 5.3481 5.4339 5.4355 5.5818 6.5154 6.8164 6.8938 6.8970 7.4995 7.5931 9.6277 9.6295 10.7124 10.7504 10.9243 10.9746 12.9132 12.9273 13.3487 13.3797 k = 0.1518 0.1518 0.1518 ( 5215 PWs) bands (ev): -5.3062 -5.3060 -4.6853 -4.6819 2.4125 2.4831 2.8541 2.8595 3.2022 3.2081 3.3407 3.3607 3.4845 3.5017 3.6753 3.6765 3.6862 3.7340 3.8178 3.8201 3.8564 4.0774 4.1783 4.2706 4.5349 4.5418 4.6826 4.7163 4.7733 4.8539 4.8603 4.8732 4.9199 4.9420 5.0935 5.1045 5.3433 5.4354 5.4368 5.5844 6.5352 6.7949 6.8779 6.9306 7.4880 7.5865 9.5251 9.5281 10.6123 10.6464 10.8432 10.8898 13.0096 13.0264 13.5196 13.5504 k = 0.1429 0.1429 0.1429 ( 5227 PWs) bands (ev): -5.3229 -5.3227 -4.6836 -4.6803 2.4461 2.5191 2.8852 2.8884 3.2109 3.2131 3.3541 3.3741 3.4923 3.5085 3.6716 3.6766 3.6867 3.7356 3.8126 3.8135 3.8504 4.0870 4.1826 4.2774 4.5282 4.5456 4.6796 4.7226 4.7779 4.8528 4.8642 4.8677 4.9210 4.9500 5.0935 5.1019 5.3396 5.4366 5.4393 5.5854 6.5522 6.7785 6.8694 6.9613 7.4753 7.5779 9.4220 9.4264 10.5174 10.5478 10.7628 10.8062 13.1122 13.1313 13.6896 13.7202 k = 0.1339 0.1339 0.1339 ( 5218 PWs) bands (ev): -5.3390 -5.3388 -4.6818 -4.6787 2.4801 2.5557 2.9144 2.9155 3.2161 3.2187 3.3681 3.3875 3.4997 3.5144 3.6658 3.6790 3.6872 3.7389 3.8045 3.8080 3.8488 4.0965 4.1887 4.2845 4.5207 4.5489 4.6759 4.7246 4.7867 4.8501 4.8621 4.8646 4.9250 4.9571 5.0923 5.1004 5.3368 5.4390 5.4414 5.5847 6.5675 6.7678 6.8681 6.9894 7.4615 7.5674 9.3191 9.3247 10.4281 10.4551 10.6834 10.7239 13.2207 13.2418 13.8563 13.8869 k = 0.1250 0.1250 0.1250 ( 5212 PWs) bands (ev): -5.3543 -5.3541 -4.6800 -4.6771 2.5144 2.5926 2.9404 2.9416 3.2168 3.2255 3.3824 3.4009 3.5064 3.5191 3.6593 3.6826 3.6873 3.7439 3.7930 3.8065 3.8498 4.1053 4.1964 4.2918 4.5126 4.5514 4.6717 4.7220 4.7998 4.8460 4.8563 4.8620 4.9309 4.9632 5.0901 5.1005 5.3347 5.4421 5.4431 5.5820 6.5822 6.7630 6.8733 7.0150 7.4466 7.5552 9.2165 9.2234 10.3448 10.3686 10.6056 10.6435 13.3349 13.3575 14.0171 14.0476 k = 0.1161 0.1161 0.1161 ( 5212 PWs) bands (ev): -5.3688 -5.3686 -4.6782 -4.6755 2.5490 2.6298 2.9630 2.9665 3.2152 3.2311 3.3970 3.4141 3.5125 3.5225 3.6523 3.6862 3.6872 3.7507 3.7819 3.8082 3.8518 4.1129 4.2054 4.2994 4.5040 4.5529 4.6667 4.7159 4.8155 4.8407 4.8509 4.8575 4.9376 4.9682 5.0869 5.1028 5.3326 5.4442 5.4455 5.5774 6.5978 6.7642 6.8841 7.0384 7.4307 7.5413 9.1149 9.1230 10.2676 10.2886 10.5297 10.5652 13.4545 13.4782 14.1689 14.1992 k = 0.1071 0.1071 0.1071 ( 5212 PWs) bands (ev): -5.3824 -5.3823 -4.6764 -4.6739 2.5837 2.6670 2.9832 2.9891 3.2112 3.2356 3.4113 3.4270 3.5178 3.5248 3.6452 3.6826 3.6927 3.7592 3.7734 3.8129 3.8540 4.1190 4.2157 4.3075 4.4951 4.5532 4.6612 4.7072 4.8297 4.8343 4.8491 4.8524 4.9436 4.9721 5.0828 5.1080 5.3302 5.4447 5.4488 5.5708 6.6153 6.7710 6.8996 7.0599 7.4140 7.5260 9.0146 9.0238 10.1969 10.2155 10.4561 10.4895 13.5790 13.6034 14.3085 14.3383 k = 0.0982 0.0982 0.0982 ( 5218 PWs) bands (ev): -5.3952 -5.3951 -4.6747 -4.6723 2.6184 2.7042 3.0007 3.0093 3.2046 3.2387 3.4254 3.4392 3.5226 3.5261 3.6381 3.6756 3.6991 3.7691 3.7693 3.8205 3.8561 4.1230 4.2268 4.3162 4.4860 4.5521 4.6550 4.6965 4.8271 4.8310 4.8475 4.8616 4.9477 4.9752 5.0783 5.1166 5.3270 5.4447 5.4515 5.5626 6.6353 6.7833 6.9190 7.0797 7.3965 7.5093 8.9161 8.9264 10.1328 10.1494 10.3853 10.4166 13.7081 13.7326 14.4326 14.4613 k = 0.0893 0.0893 0.0893 ( 5224 PWs) bands (ev): -5.4070 -5.4069 -4.6730 -4.6708 2.6531 2.7411 3.0158 3.0273 3.1955 3.2403 3.4387 3.4507 3.5268 3.5269 3.6312 3.6651 3.7063 3.7693 3.7809 3.8308 3.8581 4.1247 4.2389 4.3256 4.4767 4.5495 4.6481 4.6843 4.8194 4.8255 4.8435 4.8821 4.9495 4.9775 5.0735 5.1288 5.3227 5.4444 5.4531 5.5531 6.6582 6.8003 6.9417 7.0982 7.3785 7.4914 8.8200 8.8312 10.0755 10.0905 10.3175 10.3470 13.8412 13.8652 14.5385 14.5654 k = 0.0804 0.0804 0.0804 ( 5221 PWs) bands (ev): -5.4178 -5.4177 -4.6714 -4.6694 2.6877 2.7776 3.0284 3.0433 3.1836 3.2402 3.4511 3.4613 3.5275 3.5307 3.6244 3.6523 3.7141 3.7731 3.7939 3.8434 3.8600 4.1237 4.2515 4.3359 4.4674 4.5453 4.6407 4.6709 4.8115 4.8189 4.8408 4.9044 4.9489 4.9793 5.0690 5.1447 5.3167 5.4439 5.4533 5.5425 6.6837 6.8211 6.9676 7.1159 7.3603 7.4724 8.7268 8.7388 10.0252 10.0389 10.2533 10.2811 13.9776 14.0005 14.6249 14.6492 k = 0.0714 0.0714 0.0714 ( 5209 PWs) bands (ev): -5.4275 -5.4275 -4.6699 -4.6682 2.7222 2.8136 3.0387 3.0574 3.1693 3.2381 3.4622 3.4708 3.5285 3.5344 3.6177 3.6384 3.7223 3.7789 3.8077 3.8581 3.8620 4.1202 4.2648 4.3470 4.4582 4.5396 4.6329 4.6567 4.8037 4.8122 4.8396 4.9273 4.9460 4.9808 5.0651 5.1636 5.3090 5.4434 5.4517 5.5314 6.7115 6.8447 6.9961 7.1331 7.3421 7.4525 8.6374 8.6500 9.9819 9.9947 10.1929 10.2191 14.1166 14.1376 14.6915 14.7130 k = 0.0625 0.0625 0.0625 ( 5209 PWs) bands (ev): -5.4362 -5.4362 -4.6686 -4.6670 2.7563 2.8486 3.0466 3.0698 3.1524 3.2338 3.4719 3.4790 3.5299 3.5379 3.6108 3.6247 3.7309 3.7854 3.8220 3.8643 3.8745 4.1139 4.2783 4.3589 4.4489 4.5323 4.6245 4.6422 4.7963 4.8055 4.8402 4.9411 4.9495 4.9820 5.0628 5.1849 5.2991 5.4430 5.4479 5.5200 6.7408 6.8695 7.0269 7.1499 7.3244 7.4319 8.5527 8.5656 9.9456 9.9580 10.1366 10.1614 14.2572 14.2752 14.7401 14.7591 k = 0.0536 0.0536 0.0536 ( 5215 PWs) bands (ev): -5.4438 -5.4438 -4.6673 -4.6660 2.7900 2.8825 3.0522 3.0810 3.1331 3.2271 3.4800 3.4857 3.5321 3.5413 3.6038 3.6118 3.7395 3.7912 3.8362 3.8673 3.8923 4.1050 4.2922 4.3713 4.4395 4.5235 4.6158 4.6277 4.7895 4.7990 4.8424 4.9348 4.9695 4.9832 5.0636 5.2080 5.2871 5.4418 5.4429 5.5088 6.7710 6.8938 7.0595 7.1669 7.3078 7.4106 8.4738 8.4867 9.9164 9.9286 10.0850 10.1084 14.3980 14.4115 14.7737 14.7909 k = 0.0446 0.0446 0.0446 ( 5221 PWs) bands (ev): -5.4503 -5.4503 -4.6662 -4.6651 2.8233 2.9149 3.0557 3.0914 3.1118 3.2180 3.4865 3.4911 3.5352 3.5449 3.5967 3.6003 3.7481 3.7955 3.8496 3.8712 3.9111 4.0937 4.3062 4.3843 4.4301 4.5136 4.6071 4.6141 4.7837 4.7929 4.8462 4.9272 4.9846 4.9849 5.0698 5.2323 5.2727 5.4331 5.4433 5.4980 6.8013 6.9154 7.0930 7.1841 7.2927 7.3888 8.4022 8.4146 9.8943 9.9066 10.0382 10.0602 14.5376 14.5441 14.7958 14.8124 k = 0.0357 0.0357 0.0357 ( 5203 PWs) bands (ev): -5.4556 -5.4556 -4.6653 -4.6644 2.8562 2.9453 3.0571 3.0886 3.1013 3.2066 3.4917 3.4952 3.5392 3.5486 3.5896 3.5905 3.7566 3.7977 3.8618 3.8758 3.9308 4.0804 4.3204 4.3976 4.4204 4.5027 4.5988 4.6021 4.7791 4.7875 4.8516 4.9190 4.9861 4.9940 5.0829 5.2563 5.2572 5.4218 5.4444 5.4879 6.8310 6.9323 7.1265 7.2019 7.2796 7.3669 8.3396 8.3509 9.8792 9.8919 9.9965 10.0173 14.6686 14.6736 14.8097 14.8285 k = 0.0268 0.0268 0.0268 ( 5209 PWs) bands (ev): -5.4598 -5.4598 -4.6646 -4.6639 2.8884 2.9730 3.0559 3.0636 3.1113 3.1932 3.4954 3.4980 3.5438 3.5524 3.5822 3.5824 3.7648 3.7974 3.8720 3.8805 3.9509 4.0651 4.3346 4.4102 4.4112 4.4908 4.5912 4.5919 4.7758 4.7827 4.8580 4.9101 4.9878 4.9975 5.1018 5.2377 5.2821 5.4079 5.4462 5.4787 6.8593 6.9424 7.1584 7.2204 7.2683 7.3449 8.2880 8.2975 9.8710 9.8844 9.9603 9.9799 14.7710 14.8034 14.8179 14.8518 k = 0.0179 0.0179 0.0179 ( 5203 PWs) bands (ev): -5.4628 -5.4628 -4.6640 -4.6635 2.9200 2.9974 3.0372 3.0519 3.1222 3.1784 3.4980 3.4997 3.5492 3.5563 3.5752 3.5754 3.7726 3.7952 3.8798 3.8845 3.9712 4.0483 4.3486 4.3993 4.4249 4.4784 4.5845 4.5850 4.7738 4.7788 4.8655 4.9009 4.9898 4.9977 5.1242 5.2172 5.3066 5.3917 5.4490 5.4706 6.8853 6.9447 7.1874 7.2396 7.2578 7.3229 8.2496 8.2566 9.8697 9.8839 9.9299 9.9482 14.8133 14.8224 14.9180 14.9230 k = 0.0089 0.0089 0.0089 ( 5191 PWs) bands (ev): -5.4646 -5.4646 -4.6636 -4.6633 2.9508 3.0095 3.0178 3.0447 3.1343 3.1630 3.4997 3.5006 3.5551 3.5604 3.5683 3.5697 3.7798 3.7913 3.8850 3.8870 3.9914 4.0302 4.3622 4.3878 4.4386 4.4654 4.5803 4.5808 4.7733 4.7759 4.8738 4.8918 4.9920 4.9963 5.1480 5.1952 5.3302 5.3731 5.4528 5.4635 6.9081 6.9391 7.2120 7.2463 7.2595 7.3013 8.2264 8.2301 9.8751 9.8902 9.9054 9.9226 14.8221 14.8244 14.9966 15.0280 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4652 -5.4652 -4.6634 -4.6634 2.9807 2.9807 3.0335 3.0335 3.1481 3.1481 3.5005 3.5005 3.5616 3.5616 3.5649 3.5649 3.7861 3.7861 3.8873 3.8873 4.0112 4.0112 4.3754 4.3754 4.4521 4.4521 4.5791 4.5791 4.7740 4.7740 4.8826 4.8826 4.9942 4.9942 5.1719 5.1719 5.3525 5.3525 5.4576 5.4576 6.9265 6.9265 7.2315 7.2315 7.2802 7.2802 8.2198 8.2198 9.8870 9.8870 9.9031 9.9031 14.8245 14.8245 15.0584 15.0584 k = 0.0000 0.0000 0.0000 ( 5185 PWs) bands (ev): -5.4652 -5.4652 -4.6634 -4.6634 2.9807 2.9807 3.0335 3.0335 3.1481 3.1481 3.5005 3.5005 3.5616 3.5616 3.5649 3.5649 3.7861 3.7861 3.8873 3.8873 4.0112 4.0112 4.3754 4.3754 4.4521 4.4521 4.5791 4.5791 4.7740 4.7740 4.8826 4.8826 4.9942 4.9942 5.1719 5.1719 5.3525 5.3525 5.4576 5.4576 6.9265 6.9265 7.2315 7.2315 7.2802 7.2802 8.2198 8.2198 9.8870 9.8870 9.9031 9.9031 14.8245 14.8245 15.0584 15.0584 k = 0.0109-0.0109 0.0000 ( 5191 PWs) bands (ev): -5.4646 -5.4646 -4.6635 -4.6634 2.9734 2.9761 3.0175 3.0574 3.1293 3.1674 3.4929 3.5057 3.5552 3.5594 3.5649 3.5731 3.7831 3.7887 3.8863 3.8874 4.0109 4.0111 4.3659 4.3830 4.4516 4.4517 4.5717 4.5864 4.7642 4.7825 4.8823 4.8826 4.9752 5.0082 5.1662 5.1843 5.3556 5.3559 5.4551 5.4600 6.9165 6.9336 7.2208 7.2362 7.2760 7.2774 8.2281 8.2312 9.8878 9.8926 9.9066 9.9072 14.7920 14.8176 15.0512 15.0654 k = 0.0217-0.0217 0.0000 ( 5203 PWs) bands (ev): -5.4629 -5.4628 -4.6638 -4.6635 2.9516 2.9655 3.0123 3.0826 3.1118 3.1869 3.4837 3.5076 3.5468 3.5565 3.5669 3.5822 3.7797 3.7909 3.8845 3.8864 4.0099 4.0110 4.3545 4.3887 4.4497 4.4509 4.5645 4.5934 4.7534 4.7893 4.8807 4.8827 4.9557 5.0139 5.1688 5.1999 5.3644 5.3669 5.4525 5.4628 6.9035 6.9376 7.2023 7.2323 7.2643 7.2751 8.2553 8.2610 9.8951 9.9025 9.9172 9.9213 14.7301 14.7732 15.0398 15.0653 k = 0.0326-0.0326 0.0000 ( 5197 PWs) bands (ev): -5.4600 -5.4598 -4.6642 -4.6639 2.9231 2.9505 3.0108 3.0927 3.1103 3.2065 3.4733 3.5054 3.5391 3.5532 3.5684 3.5916 3.7760 3.7929 3.8820 3.8847 4.0077 4.0113 4.3415 4.3925 4.4465 4.4501 4.5579 4.6001 4.7422 4.7942 4.8768 4.8834 4.9401 5.0125 5.1767 5.2157 5.3782 5.3860 5.4503 5.4673 6.8867 6.9377 7.1724 7.2206 7.2491 7.2785 8.2992 8.3069 9.9072 9.9159 9.9360 9.9462 14.6487 14.7024 15.0173 15.0536 k = 0.0435-0.0435 0.0000 ( 5211 PWs) bands (ev): -5.4560 -5.4557 -4.6648 -4.6643 2.8919 2.9317 3.0089 3.0780 3.1339 3.2258 3.4620 3.4987 3.5323 3.5490 3.5695 3.6010 3.7721 3.7945 3.8785 3.8827 4.0040 4.0119 4.3269 4.3939 4.4424 4.4498 4.5519 4.6063 4.7309 4.7968 4.8695 4.8847 4.9307 5.0073 5.1849 5.2301 5.3940 5.4106 5.4510 5.4765 6.8648 6.9329 7.1320 7.2051 7.2357 7.2854 8.3567 8.3658 9.9231 9.9334 9.9640 9.9807 14.5534 14.6136 14.9825 15.0299 k = 0.0543-0.0543 0.0000 ( 5211 PWs) bands (ev): -5.4509 -5.4505 -4.6655 -4.6649 2.8593 2.9096 3.0058 3.0637 3.1570 3.2449 3.4500 3.4879 3.5265 3.5434 3.5702 3.6096 3.7684 3.7955 3.8742 3.8809 3.9987 4.0126 4.3113 4.3925 4.4384 4.4501 4.5469 4.6117 4.7202 4.7975 4.8603 4.8868 4.9268 5.0015 5.1907 5.2426 5.4061 5.4288 5.4661 5.4954 6.8364 6.9216 7.0867 7.1893 7.2263 7.2939 8.4249 8.4350 9.9428 9.9551 10.0012 10.0241 14.4476 14.5117 14.9338 14.9927 k = 0.0652-0.0652 0.0000 ( 5209 PWs) bands (ev): -5.4446 -5.4442 -4.6664 -4.6657 2.8256 2.8846 3.0010 3.0504 3.1788 3.2635 3.4373 3.4743 3.5207 3.5363 3.5705 3.6168 3.7653 3.7956 3.8698 3.8796 3.9917 4.0131 4.2954 4.3882 4.4354 4.4509 4.5428 4.6161 4.7104 4.7964 4.8511 4.8893 4.9263 4.9967 5.1943 5.2526 5.4101 5.4339 5.5010 5.5271 6.8003 6.9012 7.0428 7.1763 7.2201 7.3032 8.5013 8.5121 9.9667 9.9810 10.0471 10.0757 14.3338 14.3997 14.8697 14.9381 k = 0.0761-0.0761 0.0000 ( 5225 PWs) bands (ev): -5.4373 -5.4368 -4.6674 -4.6666 2.7912 2.8570 2.9945 3.0379 3.1991 3.2814 3.4238 3.4587 3.5144 3.5274 3.5703 3.6217 3.7634 3.7941 3.8660 3.8787 3.9832 4.0129 4.2799 4.3815 4.4336 4.4521 4.5396 4.6195 4.7018 4.7940 4.8429 4.8921 4.9270 4.9936 5.1963 5.2606 5.4077 5.4363 5.5432 5.5687 6.7568 6.8679 7.0074 7.1669 7.2168 7.3133 8.5840 8.5955 9.9947 10.0111 10.1010 10.1349 14.2139 14.2803 14.7916 14.8644 k = 0.0870-0.0870 0.0000 ( 5223 PWs) bands (ev): -5.4288 -5.4283 -4.6685 -4.6676 2.7561 2.8275 2.9862 3.0260 3.2176 3.2985 3.4096 3.4417 3.5071 3.5172 3.5696 3.6240 3.7631 3.7908 3.8632 3.8787 3.9736 4.0118 4.2657 4.3736 4.4331 4.4536 4.5374 4.6217 4.6948 4.7911 4.8360 4.8950 4.9279 4.9926 5.1977 5.2671 5.4025 5.4387 5.5886 5.6163 6.7069 6.8212 6.9836 7.1601 7.2166 7.3240 8.6713 8.6836 10.0268 10.0454 10.1624 10.2012 14.0899 14.1557 14.7036 14.7763 k = 0.0978-0.0978 0.0000 ( 5217 PWs) bands (ev): -5.4194 -5.4188 -4.6698 -4.6688 2.7205 2.7963 2.9762 3.0144 3.2344 3.3142 3.3947 3.4239 3.4983 3.5063 3.5683 3.6234 3.7639 3.7857 3.8614 3.8797 3.9636 4.0096 4.2535 4.3653 4.4334 4.4552 4.5360 4.6227 4.6893 4.7878 4.8305 4.8977 4.9282 4.9934 5.1988 5.2725 5.3965 5.4421 5.6356 5.6671 6.6525 6.7654 6.9688 7.1544 7.2198 7.3354 8.7620 8.7753 10.0631 10.0837 10.2308 10.2740 13.9635 14.0279 14.6101 14.6810 k = 0.1087-0.1087 0.0000 ( 5205 PWs) bands (ev): -5.4090 -5.4083 -4.6711 -4.6701 2.6843 2.7637 2.9645 3.0030 3.2489 3.3276 3.3796 3.4059 3.4872 3.4960 3.5662 3.6205 3.7647 3.7798 3.8597 3.8818 3.9542 4.0064 4.2437 4.3575 4.4339 4.4571 4.5351 4.6227 4.6852 4.7845 4.8260 4.9002 4.9277 4.9954 5.1996 5.2771 5.3911 5.4472 5.6831 5.7194 6.5952 6.7051 6.9596 7.1488 7.2263 7.3474 8.8551 8.8696 10.1034 10.1259 10.3055 10.3527 13.8364 13.8991 14.5145 14.5831 k = 0.1196-0.1196 0.0000 ( 5217 PWs) bands (ev): -5.3976 -5.3969 -4.6726 -4.6715 2.6477 2.7299 2.9512 2.9912 3.2605 3.3367 3.3656 3.3887 3.4743 3.4860 3.5631 3.6159 3.7622 3.7758 3.8571 3.8847 3.9469 4.0025 4.2362 4.3503 4.4341 4.4595 4.5345 4.6218 4.6822 4.7811 4.8226 4.9020 4.9267 4.9978 5.1995 5.2806 5.3878 5.4546 5.7303 5.7719 6.5364 6.6432 6.9536 7.1429 7.2355 7.3601 8.9496 8.9653 10.1475 10.1719 10.3861 10.4366 13.7101 13.7710 14.4187 14.4850 k = 0.1304-0.1304 0.0000 ( 5213 PWs) bands (ev): -5.3853 -5.3845 -4.6742 -4.6730 2.6107 2.6952 2.9365 2.9790 3.2676 3.3366 3.3547 3.3764 3.4614 3.4760 3.5589 3.6106 3.7550 3.7751 3.8529 3.8877 3.9433 3.9987 4.2310 4.3442 4.4337 4.4629 4.5340 4.6205 4.6801 4.7776 4.8203 4.9029 4.9255 5.0004 5.1983 5.2824 5.3886 5.4649 5.7768 5.8239 6.4772 6.5817 6.9499 7.1366 7.2468 7.3736 9.0447 9.0616 10.1952 10.2215 10.4721 10.5252 13.5862 13.6453 14.3238 14.3880 k = 0.1413-0.1413 0.0000 ( 5217 PWs) bands (ev): -5.3722 -5.3713 -4.6759 -4.6746 2.5733 2.6597 2.9203 2.9661 3.2673 3.3283 3.3431 3.3740 3.4497 3.4657 3.5533 3.6051 3.7457 3.7747 3.8469 3.8898 3.9442 3.9957 4.2278 4.3390 4.4327 4.4673 4.5335 4.6189 4.6785 4.7741 4.8189 4.9026 4.9244 5.0026 5.1954 5.2811 5.3954 5.4782 5.8217 5.8743 6.4185 6.5218 6.9478 7.1301 7.2597 7.3879 9.1394 9.1574 10.2462 10.2743 10.5630 10.6180 13.4659 13.5233 14.2304 14.2927 k = 0.1522-0.1522 0.0000 ( 5221 PWs) bands (ev): -5.3582 -5.3573 -4.6777 -4.6764 2.5356 2.6236 2.9029 2.9523 3.2581 3.3139 3.3370 3.3742 3.4403 3.4559 3.5462 3.5999 3.7361 3.7734 3.8392 3.8903 3.9493 3.9946 4.2262 4.3346 4.4310 4.4726 4.5328 4.6173 4.6772 4.7706 4.8182 4.9012 4.9235 5.0044 5.1908 5.2764 5.4089 5.4948 5.8645 5.9222 6.3612 6.4648 6.9470 7.1234 7.2737 7.4029 9.2328 9.2519 10.3002 10.3300 10.6585 10.7145 13.3505 13.4065 14.1386 14.1995 k = 0.1630-0.1630 0.0000 ( 5225 PWs) bands (ev): -5.3436 -5.3426 -4.6796 -4.6782 2.4978 2.5870 2.8842 2.9375 3.2425 3.2948 3.3368 3.3722 3.4326 3.4482 3.5373 3.5952 3.7265 3.7712 3.8303 3.8888 3.9576 3.9963 4.2257 4.3312 4.4291 4.4785 4.5318 4.6160 4.6760 4.7672 4.8180 4.8987 4.9226 5.0058 5.1847 5.2688 5.4288 5.5147 5.9042 5.9663 6.3062 6.4125 6.9472 7.1168 7.2885 7.4187 9.3236 9.3439 10.3567 10.3881 10.7582 10.8141 13.2413 13.2962 14.0483 14.1082 k = 0.1739-0.1739 0.0000 ( 5219 PWs) bands (ev): -5.3282 -5.3272 -4.6815 -4.6800 2.4598 2.5500 2.8643 2.9214 3.2239 3.2745 3.3358 3.3690 3.4242 3.4451 3.5270 3.5911 3.7172 3.7687 3.8204 3.8853 3.9680 4.0011 4.2261 4.3285 4.4273 4.4845 4.5309 4.6150 4.6748 4.7640 4.8181 4.8953 4.9216 5.0067 5.1775 5.2592 5.4539 5.5378 5.9393 6.0044 6.2550 6.3675 6.9482 7.1103 7.3039 7.4352 9.4106 9.4325 10.4152 10.4480 10.8617 10.9164 13.1393 13.1933 13.9590 14.0186 k = 0.1848-0.1848 0.0000 ( 5227 PWs) bands (ev): -5.3123 -5.3112 -4.6835 -4.6820 2.4217 2.5128 2.8430 2.9041 3.2043 3.2539 3.3303 3.3666 3.4153 3.4455 3.5154 3.5874 3.7082 3.7665 3.8092 3.8806 3.9797 4.0088 4.2269 4.3264 4.4258 4.4900 4.5305 4.6144 4.6735 4.7608 4.8180 4.8913 4.9204 5.0071 5.1693 5.2485 5.4828 5.5637 5.9668 6.0328 6.2105 6.3337 6.9498 7.1040 7.3195 7.4525 9.4927 9.5164 10.4749 10.5089 10.9689 11.0211 13.0456 13.0989 13.8695 13.9301 k = 0.1957-0.1957 0.0000 ( 5219 PWs) bands (ev): -5.2958 -5.2947 -4.6855 -4.6839 2.3838 2.4755 2.8206 2.8854 3.1849 3.2338 3.3205 3.3636 3.4081 3.4477 3.5032 3.5841 3.6994 3.7650 3.7967 3.8755 3.9919 4.0192 4.2282 4.3251 4.4252 4.4939 4.5314 4.6143 4.6722 4.7579 4.8176 4.8868 4.9189 5.0072 5.1607 5.2375 5.5149 5.5920 5.9819 6.0454 6.1792 6.3163 6.9520 7.0980 7.3354 7.4704 9.5684 9.5946 10.5350 10.5700 11.0794 11.1277 12.9610 13.0140 13.7777 13.8415 k = 0.2065-0.2065 0.0000 ( 5221 PWs) bands (ev): -5.2789 -5.2777 -4.6875 -4.6859 2.3459 2.4382 2.7969 2.8653 3.1664 3.2144 3.3081 3.3572 3.4040 3.4502 3.4915 3.5813 3.6901 3.7645 3.7826 3.8710 4.0039 4.0316 4.2295 4.3242 4.4257 4.4953 4.5345 4.6144 4.6707 4.7551 4.8165 4.8819 4.9172 5.0067 5.1519 5.2266 5.5489 5.6221 5.9801 6.0355 6.1703 6.3178 6.9543 7.0923 7.3513 7.4888 9.6366 9.6658 10.5944 10.6299 11.1929 11.2361 12.8863 12.9393 13.6815 13.7516 k = 0.2174-0.2174 0.0000 ( 5217 PWs) bands (ev): -5.2616 -5.2603 -4.6895 -4.6879 2.3084 2.4011 2.7720 2.8436 3.1491 3.1961 3.2946 3.3473 3.4020 3.4514 3.4822 3.5790 3.6801 3.7649 3.7674 3.8677 4.0155 4.0455 4.2309 4.3240 4.4273 4.4943 4.5398 4.6148 4.6692 4.7525 4.8144 4.8768 4.9153 5.0058 5.1431 5.2162 5.5841 5.6528 5.9631 6.0082 6.1821 6.3351 6.9568 7.0872 7.3672 7.5076 9.6963 9.7288 10.6516 10.6874 11.3090 11.3459 12.8220 12.8754 13.5813 13.6600 k = 0.2283-0.2283 0.0000 ( 5223 PWs) bands (ev): -5.2440 -5.2427 -4.6915 -4.6899 2.2714 2.3643 2.7458 2.8205 3.1334 3.1790 3.2804 3.3351 3.4005 3.4479 3.4788 3.5775 3.6690 3.7503 3.7670 3.8659 4.0264 4.0604 4.2321 4.3242 4.4301 4.4917 4.5463 4.6154 4.6676 4.7500 4.8111 4.8714 4.9132 5.0043 5.1345 5.2065 5.6192 5.6817 5.9389 5.9742 6.2044 6.3623 6.9591 7.0827 7.3831 7.5266 9.7466 9.7826 10.7052 10.7405 11.4272 11.4570 12.7685 12.8228 13.4815 13.5679 k = 0.2391-0.2391 0.0000 ( 5221 PWs) bands (ev): -5.2262 -5.2249 -4.6934 -4.6918 2.2349 2.3280 2.7186 2.7959 3.1195 3.1633 3.2659 3.3221 3.3981 3.4395 3.4819 3.5766 3.6568 3.7330 3.7696 3.8655 4.0366 4.0756 4.2331 4.3252 4.4340 4.4886 4.5533 4.6160 4.6661 4.7475 4.8064 4.8660 4.9109 5.0024 5.1263 5.1978 5.6524 5.7046 5.9172 5.9409 6.2309 6.3949 6.9612 7.0788 7.3988 7.5458 9.7869 9.8264 10.7532 10.7873 11.5464 11.5693 12.7257 12.7814 13.3875 13.4788 k = 0.2500-0.2500 0.0000 ( 5235 PWs) bands (ev): -5.2083 -5.2070 -4.6953 -4.6937 2.1992 2.2923 2.6902 2.7698 3.1073 3.1489 3.2512 3.3088 3.3945 3.4292 3.4881 3.5760 3.6443 3.7153 3.7731 3.8665 4.0462 4.0908 4.2338 4.3269 4.4385 4.4856 4.5601 4.6166 4.6649 4.7449 4.8001 4.8607 4.9084 4.9999 5.1184 5.1902 5.6800 5.7144 5.9044 5.9173 6.2589 6.4300 6.9628 7.0758 7.4142 7.5649 9.8171 9.8597 10.7934 10.8256 11.6648 11.6834 12.6933 12.7512 13.3038 13.3975 k = 0.2609-0.2609 0.0000 ( 5213 PWs) bands (ev): -5.1904 -5.1890 -4.6970 -4.6955 2.1644 2.2575 2.6608 2.7426 3.0969 3.1360 3.2367 3.2961 3.3899 3.4187 3.4955 3.5747 3.6328 3.6976 3.7774 3.8688 4.0552 4.1057 4.2342 4.3295 4.4428 4.4842 4.5664 4.6171 4.6643 4.7425 4.7926 4.8558 4.9059 4.9972 5.1111 5.1838 5.6946 5.7073 5.8935 5.9241 6.2874 6.4666 6.9638 7.0739 7.4294 7.5838 9.8374 9.8825 10.8235 10.8532 11.7796 11.8004 12.6711 12.7315 13.2337 13.3277 k = 0.2717-0.2717 0.0000 ( 5209 PWs) bands (ev): -5.1726 -5.1712 -4.6987 -4.6971 2.1307 2.2235 2.6306 2.7141 3.0883 3.1244 3.2224 3.2841 3.3845 3.4084 3.5024 3.5712 3.6247 3.6803 3.7822 3.8719 4.0635 4.1197 4.2342 4.3330 4.4458 4.4851 4.5715 4.6174 4.6642 4.7399 4.7839 4.8509 4.9031 4.9940 5.1042 5.1785 5.6799 5.6967 5.8979 5.9513 6.3159 6.5039 6.9641 7.0730 7.4442 7.6024 9.8482 9.8951 10.8413 10.8681 11.8898 11.9184 12.6586 12.7215 13.1793 13.2713 k = 0.2826-0.2826 0.0000 ( 5213 PWs) bands (ev): -5.1550 -5.1536 -4.7001 -4.6986 2.0982 2.1906 2.5995 2.6846 3.0813 3.1139 3.2086 3.2732 3.3787 3.3984 3.5071 3.5651 3.6213 3.6640 3.7873 3.8756 4.0711 4.1328 4.2337 4.3373 4.4467 4.4890 4.5752 4.6175 4.6649 4.7370 4.7744 4.8461 4.9002 4.9906 5.0976 5.1742 5.6493 5.6774 5.9200 5.9885 6.3442 6.5415 6.9635 7.0732 7.4586 7.6204 9.8504 9.8982 10.8447 10.8687 11.9949 12.0341 12.6559 12.7204 13.1414 13.2280 k = 0.2935-0.2935 0.0000 ( 5221 PWs) bands (ev): -5.1376 -5.1363 -4.7014 -4.7000 2.0670 2.1589 2.5678 2.6542 3.0756 3.1045 3.1955 3.2635 3.3728 3.3888 3.5071 3.5592 3.6214 3.6501 3.7928 3.8798 4.0780 4.1445 4.2330 4.3423 4.4462 4.4955 4.5771 4.6175 4.6665 4.7339 4.7645 4.8412 4.8972 4.9870 5.0912 5.1707 5.6148 5.6491 5.9531 6.0309 6.3723 6.5795 6.9621 7.0747 7.4723 7.6377 9.8449 9.8928 10.8326 10.8548 12.0933 12.1433 12.6640 12.7274 13.1186 13.1946 k = 0.3043-0.3043 0.0000 ( 5217 PWs) bands (ev): -5.1207 -5.1193 -4.7025 -4.7011 2.0373 2.1285 2.5357 2.6230 3.0710 3.0961 3.1835 3.2554 3.3670 3.3795 3.5007 3.5558 3.6211 3.6421 3.7986 3.8842 4.0843 4.1548 4.2322 4.3479 4.4451 4.5036 4.5770 4.6175 4.6689 4.7304 4.7550 4.8363 4.8943 4.9835 5.0850 5.1679 5.5789 5.6168 5.9919 6.0759 6.4002 6.6177 6.9600 7.0774 7.4853 7.6542 9.8328 9.8802 10.8046 10.8266 12.1822 12.2408 12.6847 12.7420 13.1063 13.1675 k = 0.3152-0.3152 0.0000 ( 5209 PWs) bands (ev): -5.1043 -5.1029 -4.7034 -4.7020 2.0092 2.0996 2.5034 2.5913 3.0669 3.0887 3.1727 3.2487 3.3616 3.3706 3.4893 3.5530 3.6178 3.6432 3.8047 3.8887 4.0899 4.1630 4.2318 4.3537 4.4443 4.5123 4.5750 4.6176 4.6721 4.7261 4.7464 4.8313 4.8914 4.9801 5.0790 5.1657 5.5428 5.5832 6.0334 6.1219 6.4282 6.6562 6.9574 7.0814 7.4976 7.6698 9.8155 9.8616 10.7618 10.7854 12.2580 12.3203 12.7210 12.7636 13.0956 13.1478 k = 0.3261-0.3261 0.0000 ( 5213 PWs) bands (ev): -5.0885 -5.0871 -4.7040 -4.7027 1.9829 2.0722 2.4711 2.5592 3.0627 3.0824 3.1634 3.2437 3.3564 3.3623 3.4757 3.5470 3.6168 3.6490 3.8111 3.8932 4.0947 4.1686 4.2322 4.3592 4.4444 4.5208 4.5714 4.6178 4.6756 4.7205 4.7395 4.8260 4.8886 4.9768 5.0728 5.1638 5.5072 5.5497 6.0763 6.1680 6.4562 6.6949 6.9546 7.0866 7.5090 7.6842 9.7939 9.8382 10.7062 10.7326 12.3178 12.3766 12.7705 12.7915 13.0784 13.1436 k = 0.3370-0.3370 0.0000 ( 5213 PWs) bands (ev): -5.0734 -5.0720 -4.7044 -4.7031 1.9584 2.0463 2.4390 2.5269 3.0577 3.0775 3.1559 3.2401 3.3510 3.3552 3.4619 3.5371 3.6202 3.6565 3.8178 3.8976 4.0989 4.1711 4.2343 4.3643 4.4458 4.5283 4.5668 4.6181 4.6794 4.7139 4.7345 4.8205 4.8860 4.9739 5.0666 5.1622 5.4724 5.5170 6.1194 6.2133 6.4844 6.7336 6.9518 7.0933 7.5193 7.6973 9.7692 9.8114 10.6407 10.6700 12.3607 12.4102 12.8031 12.8396 13.0639 13.1596 k = 0.3478-0.3478 0.0000 ( 5223 PWs) bands (ev): -5.0590 -5.0577 -4.7044 -4.7032 1.9358 2.0221 2.4074 2.4946 3.0517 3.0738 3.1502 3.2378 3.3443 3.3504 3.4488 3.5247 3.6268 3.6644 3.8249 3.9018 4.1022 4.1701 4.2381 4.3686 4.4485 4.5339 4.5622 4.6185 4.6830 4.7069 4.7309 4.8147 4.8833 4.9714 5.0602 5.1607 5.4388 5.4857 6.1623 6.2571 6.5128 6.7718 6.9497 7.1015 7.5285 7.7091 9.7423 9.7820 10.5678 10.6000 12.3883 12.4263 12.8121 12.8791 13.0787 13.1991 k = 0.3587-0.3587 0.0000 ( 5231 PWs) bands (ev): -5.0455 -5.0442 -4.7042 -4.7031 1.9153 1.9995 2.3765 2.4626 3.0451 3.0706 3.1465 3.2366 3.3374 3.3472 3.4370 3.5114 3.6349 3.6722 3.8324 3.9060 4.1046 4.1661 4.2437 4.3720 4.4528 4.5357 4.5594 4.6193 4.6860 4.7002 4.7282 4.8088 4.8807 4.9693 5.0535 5.1591 5.4066 5.4560 6.2044 6.2987 6.5416 6.8084 6.9495 7.1115 7.5365 7.7192 9.7142 9.7512 10.4902 10.5247 12.4035 12.4307 12.8047 12.8786 13.1415 13.2618 k = 0.3696-0.3696 0.0000 ( 5237 PWs) bands (ev): -5.0330 -5.0317 -4.7038 -4.7027 1.8968 1.9786 2.3468 2.4310 3.0383 3.0672 3.1449 3.2361 3.3311 3.3450 3.4267 3.4982 3.6437 3.6797 3.8404 3.9101 4.1061 4.1597 4.2505 4.3747 4.4582 4.5328 4.5598 4.6203 4.6868 4.6958 4.7262 4.8030 4.8779 4.9678 5.0468 5.1574 5.3762 5.4281 6.2452 6.3376 6.5705 6.8409 6.9538 7.1236 7.5433 7.7276 9.6855 9.7195 10.4102 10.4464 12.4096 12.4276 12.7854 12.8537 13.2326 13.3422 k = 0.3804-0.3804 0.0000 ( 5241 PWs) bands (ev): -5.0214 -5.0202 -4.7030 -4.7020 1.8804 1.9593 2.3184 2.4002 3.0317 3.0632 3.1450 3.2359 3.3255 3.3435 3.4182 3.4856 3.6524 3.6867 3.8490 3.9142 4.1064 4.1515 4.2580 4.3769 4.4644 4.5270 4.5619 4.6218 4.6832 4.6956 4.7246 4.7972 4.8751 4.9668 5.0401 5.1554 5.3477 5.4021 6.2843 6.3734 6.5994 6.8646 6.9669 7.1380 7.5487 7.7340 9.6568 9.6878 10.3299 10.3670 12.4091 12.4199 12.7593 12.8208 13.3338 13.4335 k = 0.3913-0.3913 0.0000 ( 5237 PWs) bands (ev): -5.0109 -5.0097 -4.7021 -4.7012 1.8662 1.9417 2.2916 2.3703 3.0256 3.0586 3.1468 3.2355 3.3211 3.3428 3.4114 3.4742 3.6608 3.6930 3.8581 3.9183 4.1054 4.1420 4.2661 4.3786 4.4709 4.5203 4.5643 4.6235 4.6782 4.6967 4.7233 4.7916 4.8722 4.9660 5.0338 5.1530 5.3216 5.3782 6.3214 6.4056 6.6279 6.8766 6.9915 7.1552 7.5529 7.7384 9.6286 9.6564 10.2512 10.2884 12.4038 12.4095 12.7303 12.7858 13.4378 13.5301 k = 0.4022-0.4022 0.0000 ( 5234 PWs) bands (ev): -5.0014 -5.0003 -4.7009 -4.7001 1.8541 1.9255 2.2669 2.3416 3.0200 3.0534 3.1498 3.2344 3.3177 3.3425 3.4065 3.4641 3.6685 3.6984 3.8676 3.9225 4.1030 4.1317 4.2747 4.3801 4.4771 4.5138 4.5667 4.6254 4.6732 4.6974 4.7221 4.7861 4.8695 4.9650 5.0285 5.1498 5.2982 5.3563 6.3562 6.4343 6.6556 6.8797 7.0242 7.1751 7.5560 7.7404 9.6013 9.6259 10.1758 10.2123 12.3945 12.3984 12.7011 12.7511 13.5409 13.6281 k = 0.4130-0.4130 0.0000 ( 5234 PWs) bands (ev): -4.9929 -4.9920 -4.6996 -4.6989 1.8442 1.9109 2.2444 2.3143 3.0153 3.0478 3.1538 3.2326 3.3153 3.3423 3.4036 3.4556 3.6755 3.7030 3.8776 3.9267 4.0990 4.1209 4.2835 4.3812 4.4822 4.5084 4.5692 4.6271 4.6688 4.6972 4.7210 4.7806 4.8674 4.9631 5.0247 5.1457 5.2780 5.3364 6.3884 6.4593 6.6820 6.8780 7.0604 7.1978 7.5581 7.7398 9.5753 9.5967 10.1051 10.1401 12.3823 12.3877 12.6733 12.7182 13.6408 13.7241 k = 0.4239-0.4239 0.0000 ( 5226 PWs) bands (ev): -4.9855 -4.9847 -4.6982 -4.6976 1.8364 1.8975 2.2245 2.2888 3.0114 3.0420 3.1584 3.2299 3.3140 3.3418 3.4026 3.4487 3.6817 3.7067 3.8878 3.9312 4.0935 4.1101 4.2927 4.3821 4.4851 4.5049 4.5724 4.6286 4.6651 4.6959 4.7201 4.7749 4.8663 4.9596 5.0234 5.1402 5.2614 5.3185 6.4178 6.4808 6.7065 6.8740 7.0972 7.2226 7.5596 7.7365 9.5508 9.5690 10.0405 10.0733 12.3696 12.3765 12.6479 12.6877 13.7355 13.8152 k = 0.4348-0.4348 0.0000 ( 5220 PWs) bands (ev): -4.9792 -4.9785 -4.6969 -4.6963 1.8307 1.8854 2.2075 2.2651 3.0083 3.0362 3.1634 3.2264 3.3135 3.3406 3.4036 3.4435 3.6871 3.7094 3.8983 3.9357 4.0864 4.0997 4.3021 4.3823 4.4854 4.5037 4.5765 4.6296 4.6622 4.6935 4.7195 4.7687 4.8667 4.9541 5.0247 5.1331 5.2487 5.3023 6.4442 6.4986 6.7289 6.8685 7.1333 7.2483 7.5613 7.7302 9.5282 9.5432 9.9833 10.0129 12.3573 12.3652 12.6257 12.6603 13.8234 13.8986 k = 0.4457-0.4457 0.0000 ( 5236 PWs) bands (ev): -4.9739 -4.9733 -4.6956 -4.6951 1.8270 1.8744 2.1937 2.2436 3.0061 3.0305 3.1686 3.2222 3.3136 3.3384 3.4061 3.4394 3.6917 3.7111 3.9087 3.9401 4.0783 4.0898 4.3116 4.3816 4.4843 4.5033 4.5817 4.6298 4.6601 4.6899 4.7193 4.7618 4.8686 4.9467 5.0285 5.1244 5.2399 5.2879 6.4674 6.5130 6.7490 6.8621 7.1677 7.2727 7.5643 7.7207 9.5078 9.5197 9.9342 9.9601 12.3463 12.3541 12.6071 12.6363 13.9028 13.9717 k = 0.4565-0.4565 0.0000 ( 5234 PWs) bands (ev): -4.9696 -4.9691 -4.6944 -4.6940 1.8252 1.8644 2.1832 2.2245 3.0049 3.0251 3.1741 3.2175 3.3144 3.3356 3.4098 3.4365 3.6957 3.7119 3.9189 3.9443 4.0701 4.0804 4.3213 4.3797 4.4835 4.5026 4.5880 4.6292 4.6592 4.6856 4.7198 4.7547 4.8724 4.9382 5.0343 5.1143 5.2347 5.2753 6.4873 6.5239 6.7669 6.8550 7.2002 7.2932 7.5699 7.7081 9.4900 9.4992 9.8942 9.9155 12.3368 12.3440 12.5923 12.6160 13.9723 14.0324 k = 0.4674-0.4674 0.0000 ( 5240 PWs) bands (ev): -4.9663 -4.9659 -4.6934 -4.6931 1.8252 1.8554 2.1762 2.2081 3.0046 3.0201 3.1796 3.2125 3.3157 3.3324 3.4141 3.4340 3.6993 3.7119 3.9284 3.9479 4.0627 4.0717 4.3309 4.3764 4.4838 4.5008 4.5951 4.6277 4.6592 4.6807 4.7210 4.7475 4.8776 4.9289 5.0417 5.1034 5.2326 5.2641 6.5039 6.5314 6.7827 6.8473 7.2303 7.3071 7.5794 7.6925 9.4755 9.4820 9.8635 9.8798 12.3294 12.3353 12.5815 12.5994 14.0303 14.0788 k = 0.4783-0.4783 0.0000 ( 5236 PWs) bands (ev): -4.9639 -4.9637 -4.6926 -4.6924 1.8269 1.8474 2.1728 2.1945 3.0052 3.0157 3.1852 3.2073 3.3175 3.3290 3.4185 3.4317 3.7024 3.7111 3.9369 3.9502 4.0573 4.0641 4.3404 4.3715 4.4854 4.4981 4.6026 4.6250 4.6605 4.6756 4.7230 4.7407 4.8843 4.9193 5.0503 5.0922 5.2332 5.2547 6.5171 6.5354 6.7966 6.8390 7.2573 7.3126 7.5936 7.6741 9.4647 9.4690 9.8423 9.8534 12.3242 12.3284 12.5746 12.5866 14.0757 14.1099 k = 0.4891-0.4891 0.0000 ( 5244 PWs) bands (ev): -4.9625 -4.9624 -4.6921 -4.6920 1.8301 1.8405 2.1730 2.1840 3.0066 3.0119 3.1907 3.2018 3.3198 3.3257 3.4225 3.4291 3.7051 3.7096 3.9438 3.9505 4.0544 4.0581 4.3494 4.3652 4.4880 4.4948 4.6097 4.6211 4.6628 4.6706 4.7258 4.7347 4.8920 4.9098 5.0599 5.0810 5.2359 5.2468 6.5269 6.5360 6.8089 6.8299 7.2802 7.3093 7.6118 7.6537 9.4584 9.4605 9.8308 9.8364 12.3214 12.3236 12.5718 12.5778 14.1072 14.1249 k = 0.5000-0.5000 0.0000 ( 5248 PWs) bands (ev): -4.9620 -4.9620 -4.6919 -4.6919 1.8346 1.8346 2.1768 2.1768 3.0089 3.0089 3.1963 3.1963 3.3226 3.3226 3.4261 3.4261 3.7076 3.7076 3.9484 3.9484 4.0547 4.0547 4.3578 4.3578 4.4912 4.4912 4.6160 4.6160 4.6662 4.6662 4.7297 4.7297 4.9006 4.9006 5.0702 5.0702 5.2405 5.2405 6.5332 6.5332 6.8199 6.8199 7.2980 7.2980 7.6324 7.6324 9.4569 9.4569 9.8288 9.8288 12.3213 12.3213 12.5728 12.5728 14.1238 14.1238 k = 0.5000-0.5000 0.0000 ( 5248 PWs) bands (ev): -4.9620 -4.9620 -4.6919 -4.6919 1.8346 1.8346 2.1768 2.1768 3.0089 3.0089 3.1963 3.1963 3.3226 3.3226 3.4261 3.4261 3.7076 3.7076 3.9484 3.9484 4.0547 4.0547 4.3578 4.3578 4.4912 4.4912 4.6160 4.6160 4.6662 4.6662 4.7297 4.7297 4.9006 4.9006 5.0702 5.0702 5.2405 5.2405 6.5332 6.5332 6.8199 6.8199 7.2980 7.2980 7.6324 7.6324 9.4569 9.4569 9.8288 9.8288 12.3213 12.3213 12.5728 12.5728 14.1238 14.1238 k = 0.5000-0.5000-0.0152 ( 5248 PWs) bands (ev): -4.9617 -4.9615 -4.6918 -4.6918 1.8337 1.8358 2.1762 2.1770 3.0066 3.0094 3.1935 3.1998 3.3216 3.3243 3.4239 3.4291 3.7066 3.7092 3.9456 3.9506 4.0510 4.0583 4.3520 4.3636 4.4834 4.4991 4.6087 4.6230 4.6571 4.6762 4.7270 4.7336 4.8972 4.9036 5.0676 5.0723 5.2387 5.2417 6.5197 6.5380 6.8047 6.8264 7.2860 7.3041 7.6250 7.6365 9.4619 9.4655 9.8316 9.8426 12.3196 12.3238 12.5699 12.5720 14.1218 14.1253 k = 0.5000-0.5000-0.0303 ( 5240 PWs) bands (ev): -4.9606 -4.9603 -4.6916 -4.6915 1.8329 1.8371 2.1753 2.1769 3.0026 3.0081 3.1914 3.2039 3.3215 3.3269 3.4226 3.4327 3.7065 3.7116 3.9422 3.9523 4.0474 4.0615 4.3464 4.3694 4.4760 4.5067 4.6015 4.6287 4.6500 4.6867 4.7254 4.7390 4.8936 4.9064 5.0646 5.0740 5.2364 5.2423 6.4979 6.5340 6.7815 6.8239 7.2688 7.3041 7.6141 7.6369 9.4802 9.4875 9.8510 9.8725 12.3188 12.3272 12.5635 12.5677 14.1193 14.1262 k = 0.5000-0.5000-0.0455 ( 5240 PWs) bands (ev): -4.9588 -4.9584 -4.6912 -4.6910 1.8324 1.8387 2.1740 2.1764 2.9967 3.0049 3.1901 3.2086 3.3222 3.3304 3.4225 3.4368 3.7072 3.7147 3.9384 3.9532 4.0443 4.0640 4.3410 4.3750 4.4693 4.5137 4.5946 4.6306 4.6470 4.6970 4.7250 4.7461 4.8899 4.9088 5.0612 5.0753 5.2335 5.2423 6.4686 6.5211 6.7508 6.8122 7.2473 7.2980 7.5998 7.6336 9.5116 9.5224 9.8863 9.9177 12.3190 12.3315 12.5538 12.5600 14.1163 14.1266 k = 0.5000-0.5000-0.0606 ( 5240 PWs) bands (ev): -4.9563 -4.9558 -4.6906 -4.6903 1.8320 1.8404 2.1724 2.1757 2.9887 2.9994 3.1895 3.2139 3.3238 3.3349 3.4237 3.4413 3.7087 3.7186 3.9343 3.9534 4.0420 4.0659 4.3359 4.3801 4.4635 4.5197 4.5885 4.6272 4.6495 4.7060 4.7264 4.7550 4.8862 4.9107 5.0576 5.0760 5.2300 5.2418 6.4325 6.4996 6.7138 6.7915 7.2224 7.2862 7.5822 7.6263 9.5556 9.5696 9.9366 9.9771 12.3205 12.3367 12.5412 12.5494 14.1128 14.1266 k = 0.5000-0.5000-0.0758 ( 5232 PWs) bands (ev): -4.9531 -4.9524 -4.6899 -4.6895 1.8318 1.8423 2.1704 2.1746 2.9783 2.9913 3.1900 3.2200 3.3263 3.3407 3.4264 3.4464 3.7111 3.7233 3.9301 3.9531 4.0406 4.0673 4.3312 4.3846 4.4589 4.5243 4.5834 4.6219 4.6537 4.7120 4.7311 4.7657 4.8827 4.9122 5.0536 5.0764 5.2259 5.2408 6.3904 6.4700 6.6715 6.7624 7.1952 7.2692 7.5610 7.6152 9.6113 9.6283 10.0005 10.0491 12.3234 12.3432 12.5261 12.5365 14.1088 14.1262 k = 0.5000-0.5000-0.0909 ( 5224 PWs) bands (ev): -4.9491 -4.9484 -4.6890 -4.6885 1.8318 1.8445 2.1681 2.1732 2.9654 2.9803 3.1914 3.2268 3.3297 3.3479 3.4305 3.4520 3.7143 3.7288 3.9259 3.9524 4.0402 4.0684 4.3268 4.3883 4.4557 4.5272 4.5798 4.6167 4.6575 4.7148 4.7390 4.7777 4.8796 4.9133 5.0495 5.0762 5.2213 5.2392 6.3431 6.4328 6.6252 6.7258 7.1663 7.2475 7.5363 7.6000 9.6780 9.6976 10.0767 10.1323 12.3279 12.3509 12.5092 12.5218 14.1043 14.1254 k = 0.5000-0.5000-0.1061 ( 5216 PWs) bands (ev): -4.9446 -4.9437 -4.6879 -4.6874 1.8320 1.8470 2.1655 2.1715 2.9496 2.9659 3.1940 3.2345 3.3341 3.3566 3.4360 3.4583 3.7183 3.7351 3.9221 3.9514 4.0405 4.0694 4.3228 4.3910 4.4539 4.5279 4.5778 4.6119 4.6604 4.7161 4.7483 4.7902 4.8774 4.9140 5.0453 5.0757 5.2163 5.2373 6.2912 6.3882 6.5766 6.6832 7.1360 7.2217 7.5082 7.5809 9.7547 9.7765 10.1635 10.2251 12.3342 12.3601 12.4911 12.5064 14.0993 14.1246 k = 0.5000-0.5000-0.1212 ( 5216 PWs) bands (ev): -4.9394 -4.9385 -4.6867 -4.6861 1.8325 1.8496 2.1625 2.1695 2.9307 2.9480 3.1979 3.2432 3.3396 3.3668 3.4429 3.4655 3.7230 3.7421 3.9189 3.9505 4.0412 4.0707 4.3190 4.3928 4.4534 4.5264 4.5774 4.6080 4.6624 4.7167 4.7575 4.8023 4.8766 4.9145 5.0410 5.0746 5.2107 5.2348 6.2354 6.3368 6.5271 6.6362 7.1044 7.1920 7.4766 7.5579 9.8403 9.8639 10.2593 10.3260 12.3422 12.3709 12.4725 12.4914 14.0940 14.1237 k = 0.5000-0.5000-0.1364 ( 5208 PWs) bands (ev): -4.9337 -4.9326 -4.6854 -4.6848 1.8332 1.8525 2.1593 2.1674 2.9088 2.9267 3.2032 3.2529 3.3464 3.3786 3.4511 3.4737 3.7284 3.7498 3.9167 3.9498 4.0421 4.0728 4.3155 4.3939 4.4539 4.5234 4.5778 4.6052 4.6634 4.7171 4.7658 4.8132 4.8778 4.9148 5.0367 5.0731 5.2048 5.2319 6.1762 6.2791 6.4782 6.5866 7.0715 7.1591 7.4419 7.5312 9.9338 9.9589 10.3626 10.4334 12.3514 12.3829 12.4542 12.4784 14.0883 14.1229 k = 0.5000-0.5000-0.1515 ( 5208 PWs) bands (ev): -4.9274 -4.9263 -4.6839 -4.6833 1.8341 1.8557 2.1557 2.1649 2.8836 2.9020 3.2098 3.2638 3.3543 3.3916 3.4604 3.4833 3.7342 3.7578 3.9158 3.9498 4.0427 4.0761 4.3121 4.3945 4.4549 4.5193 4.5781 4.6040 4.6637 4.7172 4.7725 4.8220 4.8813 4.9152 5.0325 5.0713 5.1985 5.2287 6.1141 6.2159 6.4309 6.5358 7.0372 7.1233 7.4042 7.5009 10.0342 10.0604 10.4719 10.5460 12.3601 12.3948 12.4383 12.4705 14.0824 14.1225 k = 0.5000-0.5000-0.1667 ( 5196 PWs) bands (ev): -4.9207 -4.9194 -4.6824 -4.6816 1.8353 1.8592 2.1520 2.1624 2.8553 2.8742 3.2178 3.2759 3.3636 3.4059 3.4708 3.4942 3.7405 3.7659 3.9164 3.9508 4.0431 4.0808 4.3089 4.3948 4.4559 4.5148 4.5779 4.6046 4.6632 4.7172 4.7770 4.8287 4.8866 4.9165 5.0285 5.0691 5.1920 5.2251 6.0496 6.1483 6.3858 6.4853 7.0015 7.0850 7.3638 7.4672 10.1405 10.1673 10.5858 10.6622 12.3648 12.3993 12.4334 12.4716 14.0763 14.1226 k = 0.5000-0.5000-0.1818 ( 5220 PWs) bands (ev): -4.9135 -4.9122 -4.6807 -4.6800 1.8367 1.8629 2.1479 2.1596 2.8238 2.8439 3.2271 3.2890 3.3739 3.4211 3.4821 3.5064 3.7470 3.7735 3.9183 3.9532 4.0431 4.0867 4.3057 4.3948 4.4562 4.5101 4.5769 4.6067 4.6619 4.7168 4.7790 4.8336 4.8917 4.9192 5.0246 5.0663 5.1852 5.2211 5.9830 6.0773 6.3432 6.4364 6.9643 7.0444 7.3208 7.4304 10.2516 10.2787 10.7028 10.7807 12.3626 12.3892 12.4485 12.4844 14.0700 14.1235 k = 0.5000-0.5000-0.1970 ( 5220 PWs) bands (ev): -4.9060 -4.9046 -4.6790 -4.6782 1.8385 1.8670 2.1437 2.1568 2.7894 2.8115 3.2378 3.3032 3.3856 3.4369 3.4945 3.5200 3.7538 3.7806 3.9217 3.9577 4.0432 4.0940 4.3026 4.3951 4.4558 4.5057 4.5757 4.6099 4.6600 4.7163 4.7788 4.8372 4.8952 4.9243 5.0210 5.0632 5.1785 5.2169 5.9150 6.0042 6.3037 6.3900 6.9259 7.0022 7.2757 7.3907 10.3665 10.3936 10.8218 10.9000 12.3548 12.3751 12.4749 12.5078 14.0638 14.1253 k = 0.5000-0.5000-0.2121 ( 5224 PWs) bands (ev): -4.8982 -4.8968 -4.6772 -4.6764 1.8406 1.8714 2.1392 2.1538 2.7525 2.7773 3.2496 3.3185 3.3983 3.4531 3.5080 3.5349 3.7609 3.7869 3.9260 3.9648 4.0434 4.1024 4.2995 4.3954 4.4541 4.5018 4.5746 4.6139 4.6575 4.7154 4.7767 4.8397 4.8967 4.9309 5.0175 5.0595 5.1717 5.2124 5.8459 5.9298 6.2672 6.3469 6.8864 6.9585 7.2287 7.3484 10.4841 10.5111 10.9412 11.0187 12.3445 12.3613 12.5088 12.5399 14.0578 14.1283 k = 0.5000-0.5000-0.2273 ( 5224 PWs) bands (ev): -4.8901 -4.8887 -4.6753 -4.6745 1.8431 1.8762 2.1347 2.1509 2.7134 2.7418 3.2625 3.3347 3.4120 3.4694 3.5226 3.5508 3.7681 3.7924 3.9310 3.9747 4.0441 4.1119 4.2964 4.3959 4.4512 4.4985 4.5739 4.6180 4.6544 4.7143 4.7732 4.8411 4.8967 4.9377 5.0143 5.0552 5.1652 5.2077 5.7764 5.8552 6.2340 6.3076 6.8460 6.9138 7.1801 7.3038 10.6035 10.6301 11.0597 11.1353 12.3336 12.3489 12.5492 12.5803 14.0520 14.1327 k = 0.5000-0.5000-0.2424 ( 5224 PWs) bands (ev): -4.8819 -4.8805 -4.6734 -4.6726 1.8460 1.8814 2.1300 2.1480 2.6728 2.7052 3.2765 3.3517 3.4265 3.4856 3.5381 3.5675 3.7757 3.7973 3.9365 3.9869 4.0457 4.1224 4.2934 4.3966 4.4469 4.4957 4.5737 4.6223 4.6506 4.7129 4.7685 4.8414 4.8958 4.9435 5.0111 5.0501 5.1588 5.2028 5.7069 5.7812 6.2044 6.2727 6.8050 6.8685 7.1302 7.2572 10.7235 10.7497 11.1761 11.2484 12.3233 12.3385 12.5958 12.6297 14.0467 14.1387 k = 0.5000-0.5000-0.2576 ( 5224 PWs) bands (ev): -4.8736 -4.8722 -4.6715 -4.6707 1.8494 1.8869 2.1252 2.1451 2.6311 2.6679 3.2913 3.3693 3.4418 3.5014 3.5544 3.5848 3.7837 3.8018 3.9425 4.0007 4.0488 4.1340 4.2904 4.3974 4.4417 4.4934 4.5738 4.6264 4.6461 4.7112 4.7629 4.8409 4.8941 4.9478 5.0078 5.0442 5.1526 5.1977 5.6380 5.7086 6.1784 6.2423 6.7637 6.8230 7.0792 7.2089 10.8429 10.8687 11.2889 11.3566 12.3143 12.3301 12.6486 12.6886 14.0419 14.1465 k = 0.5000-0.5000-0.2727 ( 5220 PWs) bands (ev): -4.8653 -4.8639 -4.6696 -4.6688 1.8533 1.8929 2.1204 2.1424 2.5886 2.6301 3.3070 3.3873 3.4577 3.5169 3.5710 3.6025 3.7923 3.8063 3.9491 4.0143 4.0545 4.1466 4.2875 4.3982 4.4357 4.4913 4.5744 4.6301 4.6413 4.7094 4.7566 4.8398 4.8918 4.9504 5.0040 5.0375 5.1463 5.1921 5.5702 5.6382 6.1564 6.2168 6.7226 6.7777 7.0276 7.1591 10.9604 10.9859 11.3970 11.4591 12.3068 12.3240 12.7079 12.7576 14.0378 14.1562 k = 0.5000-0.5000-0.2879 ( 5204 PWs) bands (ev): -4.8571 -4.8556 -4.6678 -4.6670 1.8577 1.8993 2.1155 2.1399 2.5460 2.5922 3.3233 3.4056 3.4740 3.5321 3.5874 3.6201 3.8016 3.8115 3.9564 4.0259 4.0642 4.1602 4.2850 4.3990 4.4295 4.4895 4.5751 4.6314 4.6380 4.7074 4.7496 4.8383 4.8886 4.9512 4.9991 5.0302 5.1399 5.1861 5.5042 5.5709 6.1385 6.1962 6.6821 6.7329 6.9755 7.1083 11.0746 11.1001 11.4993 11.5552 12.3013 12.3203 12.7743 12.8366 14.0346 14.1678 k = 0.5000-0.5000-0.3030 ( 5188 PWs) bands (ev): -4.8490 -4.8476 -4.6659 -4.6652 1.8627 1.9062 2.1107 2.1376 2.5035 2.5545 3.3402 3.4237 3.4907 3.5469 3.6031 3.6373 3.8114 3.8179 3.9642 4.0348 4.0782 4.1747 4.2828 4.3994 4.4233 4.4877 4.5758 4.6266 4.6398 4.7053 4.7420 4.8365 4.8848 4.9503 4.9924 5.0229 5.1328 5.1792 5.4406 5.5077 6.1248 6.1806 6.6424 6.6891 6.9232 7.0566 11.1839 11.2097 11.5951 11.6448 12.2976 12.3191 12.8482 12.9251 14.0324 14.1812 k = 0.5000-0.5000-0.3182 ( 5196 PWs) bands (ev): -4.8411 -4.8397 -4.6642 -4.6634 1.8683 1.9135 2.1058 2.1356 2.4615 2.5171 3.3574 3.4415 3.5076 3.5614 3.6175 3.6533 3.8209 3.8266 3.9724 4.0425 4.0946 4.1899 4.2811 4.3988 4.4178 4.4860 4.5762 4.6195 4.6425 4.7029 4.7338 4.8343 4.8800 4.9478 4.9832 5.0158 5.1249 5.1711 5.3799 5.4493 6.1153 6.1698 6.6039 6.6467 6.8709 7.0044 11.2866 11.3131 11.6841 11.7286 12.2960 12.3204 12.9295 13.0221 14.0314 14.1961 k = 0.5000-0.5000-0.3333 ( 5200 PWs) bands (ev): -4.8335 -4.8322 -4.6624 -4.6617 1.8746 1.9213 2.1010 2.1340 2.4203 2.4804 3.3748 3.4585 3.5245 3.5755 3.6306 3.6677 3.8304 3.8379 3.9811 4.0505 4.1118 4.2053 4.2804 4.3964 4.4142 4.4843 4.5762 4.6118 4.6450 4.7001 4.7254 4.8319 4.8745 4.9434 4.9718 5.0094 5.1159 5.1612 5.3233 5.3965 6.1103 6.1638 6.5672 6.6060 6.8189 6.9520 11.3810 11.4083 11.7664 11.8077 12.2963 12.3243 13.0179 13.1264 14.0316 14.2117 k = 0.5000-0.5000-0.3485 ( 5208 PWs) bands (ev): -4.8263 -4.8251 -4.6608 -4.6602 1.8817 1.9294 2.0962 2.1329 2.3802 2.4447 3.3923 3.4744 3.5414 3.5893 3.6421 3.6799 3.8408 3.8503 3.9904 4.0599 4.1288 4.2203 4.2810 4.3918 4.4131 4.4824 4.5754 4.6039 4.6469 4.6965 4.7175 4.8291 4.8681 4.9359 4.9601 5.0036 5.1057 5.1490 5.2722 5.3501 6.1097 6.1625 6.5324 6.5675 6.7675 6.8995 11.4658 11.4935 11.8426 11.8829 12.2985 12.3307 13.1125 13.2365 14.0330 14.2261 k = 0.5000-0.5000-0.3636 ( 5208 PWs) bands (ev): -4.8195 -4.8184 -4.6593 -4.6587 1.8895 1.9380 2.0916 2.1323 2.3416 2.4101 3.4096 3.4888 3.5581 3.6027 3.6522 3.6896 3.8524 3.8631 4.0005 4.0713 4.1448 4.2335 4.2837 4.3862 4.4137 4.4803 4.5735 4.5965 4.6480 4.6912 4.7111 4.8258 4.8605 4.9227 4.9516 4.9982 5.0941 5.1339 5.2286 5.3100 6.1133 6.1657 6.4999 6.5317 6.7169 6.8475 11.5397 11.5673 11.9133 11.9549 12.3024 12.3396 13.2122 13.3506 14.0358 14.2369 k = 0.5000-0.5000-0.3788 ( 5224 PWs) bands (ev): -4.8132 -4.8122 -4.6579 -4.6573 1.8981 1.9468 2.0871 2.1323 2.3045 2.3769 3.4265 3.5014 3.5745 3.6156 3.6608 3.6965 3.8646 3.8756 4.0120 4.0848 4.1595 4.2435 4.2886 4.3806 4.4152 4.4778 4.5698 4.5901 4.6475 4.6845 4.7069 4.8217 4.8508 4.9045 4.9468 4.9931 5.0810 5.1155 5.1942 5.2760 6.1210 6.1732 6.4698 6.4992 6.6673 6.7960 11.6025 11.6291 11.9789 12.0233 12.3078 12.3507 13.3156 13.4670 14.0397 14.2410 k = 0.5000-0.5000-0.3939 ( 5216 PWs) bands (ev): -4.8075 -4.8066 -4.6566 -4.6561 1.9076 1.9559 2.0829 2.1332 2.2694 2.3453 3.4428 3.5120 3.5905 3.6281 3.6683 3.7011 3.8766 3.8873 4.0254 4.1006 4.1728 4.2500 4.2950 4.3761 4.4173 4.4749 4.5643 4.5851 4.6452 4.6783 4.7042 4.8170 4.8380 4.8849 4.9448 4.9886 5.0665 5.0953 5.1695 5.2474 6.1325 6.1846 6.4419 6.4709 6.6189 6.7456 11.6546 11.6791 12.0390 12.0870 12.3147 12.3637 13.4211 13.5839 14.0445 14.2386 k = 0.5000-0.5000-0.4091 ( 5208 PWs) bands (ev): -4.8024 -4.8016 -4.6555 -4.6550 1.9178 1.9649 2.0790 2.1349 2.2365 2.3155 3.4583 3.5204 3.6058 3.6397 3.6745 3.7034 3.8874 3.8978 4.0411 4.1182 4.1843 4.2533 4.3012 4.3732 4.4194 4.4716 4.5576 4.5806 4.6409 4.6745 4.7022 4.8099 4.8221 4.8675 4.9449 4.9848 5.0508 5.0760 5.1525 5.2231 6.1477 6.1994 6.4161 6.4476 6.5720 6.6963 11.6967 11.7184 12.0926 12.1443 12.3235 12.3782 13.5268 13.6994 14.0499 14.2328 k = 0.5000-0.5000-0.4242 ( 5212 PWs) bands (ev): -4.7980 -4.7973 -4.6545 -4.6541 1.9288 1.9735 2.0758 2.1376 2.2062 2.2877 3.4728 3.5265 3.6203 3.6505 3.6797 3.7037 3.8965 3.9067 4.0589 4.1371 4.1939 4.2536 4.3058 4.3722 4.4208 4.4682 4.5506 4.5753 4.6364 4.6733 4.7002 4.7929 4.8115 4.8534 4.9469 4.9818 5.0352 5.0591 5.1408 5.2023 6.1660 6.2173 6.3921 6.4302 6.5268 6.6487 11.7301 11.7486 12.1387 12.1923 12.3351 12.3930 13.6306 13.8114 14.0558 14.2270 k = 0.5000-0.5000-0.4394 ( 5224 PWs) bands (ev): -4.7943 -4.7937 -4.6536 -4.6534 1.9402 1.9810 2.0735 2.1406 2.1794 2.2620 3.4860 3.5302 3.6339 3.6600 3.6836 3.7021 3.9039 3.9136 4.0788 4.1559 4.2012 4.2511 4.3094 4.3720 4.4208 4.4650 4.5441 4.5688 4.6343 4.6738 4.6979 4.7693 4.8066 4.8418 4.9508 4.9796 5.0214 5.0440 5.1332 5.1842 6.1870 6.2372 6.3702 6.4191 6.4837 6.6031 11.7560 11.7709 12.1769 12.2282 12.3507 12.4069 13.7295 13.9163 14.0630 14.2238 k = 0.5000-0.5000-0.4545 ( 5232 PWs) bands (ev): -4.7914 -4.7909 -4.6530 -4.6528 1.9519 1.9865 2.0732 2.1393 2.1615 2.2386 3.4978 3.5317 3.6465 3.6681 3.6862 3.6991 3.9099 3.9184 4.1000 4.1721 4.2062 4.2468 4.3133 4.3702 4.4210 4.4615 4.5391 4.5614 4.6359 4.6747 4.6952 4.7462 4.8038 4.8317 4.9564 4.9786 5.0102 5.0301 5.1292 5.1686 6.2103 6.2581 6.3506 6.4150 6.4432 6.5601 11.7754 11.7866 12.2073 12.2505 12.3704 12.4182 13.8201 14.0001 14.0821 14.2256 k = 0.5000-0.5000-0.4697 ( 5232 PWs) bands (ev): -4.7892 -4.7890 -4.6525 -4.6524 1.9633 1.9889 2.0757 2.1244 2.1624 2.2178 3.5081 3.5310 3.6579 3.6744 3.6875 3.6947 3.9146 3.9210 4.1216 4.1801 4.2116 4.2417 4.3192 4.3637 4.4241 4.4564 4.5367 4.5540 4.6410 4.6737 4.6937 4.7268 4.8032 4.8228 4.9633 4.9785 5.0021 5.0174 5.1286 5.1554 6.2347 6.2779 6.3343 6.4038 6.4212 6.5204 11.7892 11.7967 12.2304 12.2610 12.3911 12.4252 13.8979 14.0283 14.1430 14.2348 k = 0.5000-0.5000-0.4848 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9737 1.9875 2.0821 2.1071 2.1715 2.1995 3.5166 3.5282 3.6679 3.6780 3.6875 3.6901 3.9183 3.9217 4.1424 4.1750 4.2204 4.2362 4.3282 4.3528 4.4309 4.4489 4.5376 4.5471 4.6489 4.6678 4.6961 4.7123 4.8050 4.8151 4.9705 4.9784 4.9976 5.0065 5.1311 5.1447 6.2587 6.2890 6.3279 6.3708 6.4338 6.4852 11.7980 11.8017 12.2471 12.2627 12.4088 12.4264 13.9582 14.0221 14.2158 14.2521 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.5000-0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 k = 0.5000-0.4891-0.4891 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9761 1.9870 2.0760 2.1120 2.1673 2.2031 3.5148 3.5302 3.6662 3.6811 3.6872 3.6891 3.9184 3.9215 4.1448 4.1734 4.2168 4.2394 4.3268 4.3544 4.4268 4.4531 4.5370 4.5469 4.6516 4.6660 4.6926 4.7156 4.8052 4.8131 4.9721 4.9781 4.9945 5.0074 5.1323 5.1456 6.2645 6.2900 6.3142 6.3793 6.4286 6.4892 11.7961 11.7988 12.2447 12.2672 12.4061 12.4315 13.9659 14.0183 14.2205 14.2648 k = 0.5000-0.4783-0.4783 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6524 1.9688 1.9904 2.0626 2.1336 2.1532 2.2243 3.5047 3.5351 3.6552 3.6781 3.6869 3.6945 3.9148 3.9209 4.1265 4.1781 4.2049 4.2464 4.3165 4.3677 4.4159 4.4649 4.5335 4.5541 4.6458 4.6728 4.6872 4.7315 4.8019 4.8173 4.9667 4.9780 4.9954 5.0175 5.1332 5.1591 6.2444 6.2825 6.3109 6.4076 6.4211 6.5275 11.7809 11.7860 12.2275 12.2725 12.3873 12.4378 13.9196 14.0242 14.1605 14.2417 k = 0.5000-0.4674-0.4674 ( 5226 PWs) bands (ev): -4.7915 -4.7911 -4.6530 -4.6528 1.9604 1.9922 2.0529 2.1411 2.1579 2.2473 3.4931 3.5378 3.6429 3.6720 3.6847 3.7011 3.9100 3.9187 4.1073 4.1695 4.1985 4.2501 4.3103 4.3765 4.4099 4.4742 4.5308 4.5636 4.6414 4.6752 4.6890 4.7494 4.7997 4.8221 4.9604 4.9790 4.9999 5.0286 5.1388 5.1760 6.2197 6.2643 6.3254 6.3988 6.4633 6.5699 11.7565 11.7639 12.2065 12.2734 12.3651 12.4401 13.8625 14.0179 14.0901 14.2115 k = 0.5000-0.4565-0.4565 ( 5224 PWs) bands (ev): -4.7946 -4.7940 -4.6537 -4.6534 1.9511 1.9917 2.0473 2.1327 2.1834 2.2721 3.4803 3.5380 3.6293 3.6642 3.6811 3.7072 3.9040 3.9150 4.0875 4.1523 4.1936 4.2502 4.3080 4.3787 4.4102 4.4806 4.5294 4.5753 4.6389 4.6744 4.6958 4.7677 4.7987 4.8285 4.9545 4.9830 5.0063 5.0405 5.1485 5.1952 6.1939 6.2458 6.3436 6.3991 6.5089 6.6157 11.7232 11.7325 12.1817 12.2691 12.3409 12.4385 13.7978 13.9924 14.0232 14.1775 k = 0.5000-0.4457-0.4457 ( 5222 PWs) bands (ev): -4.7985 -4.7977 -4.6546 -4.6543 1.9411 1.9889 2.0458 2.1272 2.2107 2.2984 3.4663 3.5352 3.6147 3.6550 3.6769 3.7126 3.8968 3.9098 4.0675 4.1329 4.1860 4.2467 4.3085 4.3777 4.4132 4.4840 4.5298 4.5883 4.6387 4.6739 4.7029 4.7841 4.7996 4.8382 4.9498 4.9906 5.0146 5.0530 5.1614 5.2159 6.1693 6.2270 6.3648 6.4090 6.5569 6.6647 11.6812 11.6922 12.1532 12.2568 12.3177 12.4332 13.7284 13.9223 13.9902 14.1401 k = 0.5000-0.4348-0.4348 ( 5226 PWs) bands (ev): -4.8032 -4.8023 -4.6557 -4.6553 1.9310 1.9841 2.0477 2.1247 2.2396 2.3261 3.4514 3.5291 3.5995 3.6447 3.6723 3.7173 3.8885 3.9035 4.0475 4.1135 4.1756 4.2404 4.3102 4.3765 4.4150 4.4844 4.5327 4.6007 4.6412 4.6744 4.7088 4.7939 4.8053 4.8514 4.9472 5.0021 5.0248 5.0664 5.1765 5.2373 6.1467 6.2085 6.3885 6.4276 6.6070 6.7165 11.6309 11.6435 12.1212 12.2335 12.2990 12.4243 13.6565 13.8403 13.9619 14.0994 k = 0.5000-0.4239-0.4239 ( 5232 PWs) bands (ev): -4.8086 -4.8076 -4.6570 -4.6565 1.9211 1.9784 2.0520 2.1251 2.2698 2.3551 3.4357 3.5195 3.5840 3.6333 3.6679 3.7213 3.8789 3.8961 4.0273 4.0952 4.1634 4.2322 4.3120 4.3758 4.4149 4.4826 4.5377 4.6107 4.6470 4.6760 4.7133 4.7975 4.8160 4.8665 4.9474 5.0172 5.0377 5.0808 5.1933 5.2588 6.1264 6.1911 6.4148 6.4541 6.6589 6.7708 11.5732 11.5874 12.0857 12.1998 12.2842 12.4118 13.5837 13.7566 13.9307 14.0559 k = 0.5000-0.4130-0.4130 ( 5220 PWs) bands (ev): -4.8148 -4.8137 -4.6584 -4.6579 1.9117 1.9722 2.0582 2.1283 2.3014 2.3852 3.4197 3.5064 3.5686 3.6209 3.6640 3.7247 3.8685 3.8880 4.0074 4.0784 4.1500 4.2231 4.3137 4.3747 4.4135 4.4797 4.5439 4.6174 4.6552 4.6793 4.7169 4.8002 4.8269 4.8806 4.9515 5.0340 5.0547 5.0967 5.2113 5.2801 6.1086 6.1752 6.4438 6.4874 6.7124 6.8276 11.5088 11.5246 12.0467 12.1587 12.2704 12.3959 13.5113 13.6731 13.8969 14.0104 k = 0.5000-0.4022-0.4022 ( 5216 PWs) bands (ev): -4.8218 -4.8205 -4.6601 -4.6595 1.9031 1.9661 2.0659 2.1339 2.3341 2.4163 3.4033 3.4905 3.5532 3.6075 3.6606 3.7272 3.8572 3.8791 3.9878 4.0632 4.1361 4.2134 4.3150 4.3725 4.4113 4.4769 4.5504 4.6217 4.6626 4.6850 4.7201 4.8030 4.8373 4.8921 4.9595 5.0498 5.0769 5.1145 5.2303 5.3009 6.0933 6.1611 6.4759 6.5262 6.7672 6.8864 11.4387 11.4565 12.0041 12.1121 12.2557 12.3766 13.4398 13.5905 13.8614 13.9642 k = 0.5000-0.3913-0.3913 ( 5220 PWs) bands (ev): -4.8294 -4.8280 -4.6619 -4.6613 1.8953 1.9603 2.0749 2.1418 2.3678 2.4483 3.3870 3.4725 3.5376 3.5931 3.6576 3.7288 3.8453 3.8697 3.9690 4.0494 4.1221 4.2034 4.3160 4.3687 4.4089 4.4749 4.5567 4.6247 4.6665 4.6935 4.7238 4.8057 4.8469 4.9011 4.9709 5.0640 5.1026 5.1350 5.2504 5.3212 6.0804 6.1491 6.5112 6.5698 6.8230 6.9471 11.3643 11.3842 11.9577 12.0606 12.2394 12.3539 13.3696 13.5096 13.8251 13.9182 k = 0.5000-0.3804-0.3804 ( 5224 PWs) bands (ev): -4.8376 -4.8362 -4.6640 -4.6632 1.8886 1.9552 2.0852 2.1516 2.4024 2.4808 3.3710 3.4534 3.5219 3.5777 3.6549 3.7293 3.8332 3.8601 3.9512 4.0368 4.1085 4.1931 4.3168 4.3635 4.4066 4.4741 4.5625 4.6272 4.6674 4.7031 4.7286 4.8084 4.8552 4.9089 4.9845 5.0769 5.1290 5.1584 5.2723 5.3414 6.0701 6.1393 6.5494 6.6172 6.8795 7.0093 11.2867 11.3090 11.9075 12.0046 12.2212 12.3280 13.3007 13.4306 13.7887 13.8737 k = 0.5000-0.3696-0.3696 ( 5228 PWs) bands (ev): -4.8465 -4.8449 -4.6662 -4.6654 1.8831 1.9507 2.0968 2.1633 2.4376 2.5138 3.3554 3.4338 3.5060 3.5617 3.6521 3.7285 3.8211 3.8504 3.9348 4.0254 4.0953 4.1825 4.3175 4.3572 4.4044 4.4744 4.5677 4.6297 4.6665 4.7121 4.7343 4.8113 4.8618 4.9163 4.9993 5.0886 5.1546 5.1834 5.2964 5.3619 6.0623 6.1317 6.5902 6.6677 6.9365 7.0727 11.2072 11.2320 11.8534 11.9444 12.2009 12.2992 13.2332 13.3539 13.7531 13.8316 k = 0.5000-0.3587-0.3587 ( 5224 PWs) bands (ev): -4.8559 -4.8543 -4.6686 -4.6678 1.8787 1.9472 2.1098 2.1767 2.4733 2.5471 3.3405 3.4144 3.4901 3.5451 3.6491 3.7261 3.8095 3.8412 3.9197 4.0149 4.0829 4.1715 4.3181 4.3507 4.4027 4.4758 4.5722 4.6324 4.6648 4.7199 4.7402 4.8148 4.8666 4.9235 5.0148 5.0994 5.1791 5.2079 5.3236 5.3836 6.0569 6.1264 6.6328 6.7206 6.9934 7.1369 11.1270 11.1545 11.7958 11.8804 12.1785 12.2678 13.1668 13.2795 13.7189 13.7928 k = 0.5000-0.3478-0.3478 ( 5220 PWs) bands (ev): -4.8658 -4.8641 -4.6712 -4.6703 1.8755 1.9447 2.1240 2.1916 2.5093 2.5803 3.3264 3.3955 3.4745 3.5281 3.6458 3.7219 3.7983 3.8328 3.9059 4.0054 4.0713 4.1601 4.3181 4.3447 4.4013 4.4781 4.5759 4.6351 4.6629 4.7265 4.7457 4.8190 4.8699 4.9303 5.0305 5.1093 5.2023 5.2304 5.3538 5.4073 6.0539 6.1234 6.6768 6.7750 7.0498 7.2014 11.0474 11.0777 11.7351 11.8132 12.1539 12.2340 13.1012 13.2073 13.6869 13.7575 k = 0.5000-0.3370-0.3370 ( 5212 PWs) bands (ev): -4.8761 -4.8744 -4.6740 -4.6730 1.8737 1.9432 2.1396 2.2080 2.5452 2.6132 3.3133 3.3774 3.4594 3.5109 3.6419 3.7157 3.7880 3.8256 3.8933 3.9968 4.0606 4.1484 4.3167 4.3405 4.4004 4.4810 4.5788 4.6379 4.6615 4.7322 4.7502 4.8240 4.8721 4.9362 5.0461 5.1186 5.2233 5.2511 5.3858 5.4339 6.0533 6.1227 6.7212 6.8299 7.1054 7.2657 10.9694 11.0025 11.6719 11.7436 12.1272 12.1980 13.0362 13.1369 13.6580 13.7262 k = 0.5000-0.3261-0.3261 ( 5224 PWs) bands (ev): -4.8869 -4.8851 -4.6769 -4.6759 1.8731 1.9428 2.1564 2.2257 2.5808 2.6455 3.3014 3.3605 3.4449 3.4939 3.6373 3.7075 3.7783 3.8197 3.8817 3.9890 4.0506 4.1363 4.3133 4.3388 4.4000 4.4844 4.5808 4.6402 4.6609 4.7366 4.7539 4.8294 4.8734 4.9409 5.0610 5.1279 5.2406 5.2713 5.4185 5.4640 6.0552 6.1242 6.7653 6.8844 7.1595 7.3290 10.8942 10.9300 11.6071 11.6727 12.0984 12.1600 12.9716 13.0683 13.6326 13.6989 k = 0.5000-0.3152-0.3152 ( 5212 PWs) bands (ev): -4.8980 -4.8962 -4.6800 -4.6790 1.8738 1.9436 2.1746 2.2448 2.6158 2.6769 3.2908 3.3449 3.4315 3.4775 3.6323 3.6978 3.7694 3.8151 3.8713 3.9821 4.0415 4.1242 4.3085 4.3394 4.4002 4.4882 4.5819 4.6420 4.6618 4.7397 4.7575 4.8348 4.8744 4.9446 5.0748 5.1375 5.2541 5.2917 5.4510 5.4975 6.0596 6.1281 6.8084 6.9374 7.2117 7.3908 10.8229 10.8611 11.5419 11.6015 12.0674 12.1201 12.9072 13.0010 13.6112 13.6753 k = 0.5000-0.3043-0.3043 ( 5216 PWs) bands (ev): -4.9094 -4.9076 -4.6833 -4.6822 1.8759 1.9455 2.1940 2.2650 2.6497 2.7070 3.2815 3.3308 3.4193 3.4619 3.6266 3.6868 3.7610 3.8112 3.8618 3.9759 4.0330 4.1121 4.3032 4.3412 4.4010 4.4924 4.5822 4.6430 4.6641 4.7412 4.7613 4.8394 4.8752 4.9474 5.0869 5.1477 5.2645 5.3122 5.4832 5.5332 6.0665 6.1342 6.8496 6.9879 7.2613 7.4501 10.7564 10.7967 11.4774 11.5315 12.0343 12.0784 12.8431 12.9351 13.5938 13.6552 k = 0.5000-0.2935-0.2935 ( 5212 PWs) bands (ev): -4.9211 -4.9192 -4.6867 -4.6856 1.8793 1.9486 2.2147 2.2864 2.6820 2.7353 3.2738 3.3183 3.4083 3.4477 3.6206 3.6752 3.7530 3.8079 3.8535 3.9705 4.0254 4.1004 4.2982 4.3438 4.4024 4.4970 4.5817 4.6438 4.6674 4.7414 4.7656 4.8425 4.8767 4.9496 5.0970 5.1586 5.2729 5.3322 5.5156 5.5701 6.0759 6.1427 6.8881 7.0349 7.3077 7.5061 10.6956 10.7376 11.4149 11.4639 11.9988 12.0348 12.7794 12.8704 13.5804 13.6381 k = 0.5000-0.2826-0.2826 ( 5212 PWs) bands (ev): -4.9329 -4.9310 -4.6903 -4.6891 1.8840 1.9530 2.2365 2.3088 2.7123 2.7617 3.2677 3.3076 3.3986 3.4353 3.6141 3.6631 3.7452 3.8045 3.8462 3.9656 4.0185 4.0895 4.2936 4.3466 4.4042 4.5019 4.5804 4.6445 4.6714 4.7406 4.7700 4.8434 4.8792 4.9515 5.1051 5.1699 5.2803 5.3516 5.5482 5.6069 6.0879 6.1535 6.9232 7.0775 7.3502 7.5579 10.6414 10.6845 11.3558 11.4001 11.9610 11.9893 12.7164 12.8070 13.5707 13.6235 k = 0.5000-0.2717-0.2717 ( 5196 PWs) bands (ev): -4.9449 -4.9430 -4.6940 -4.6928 1.8902 1.9586 2.2595 2.3323 2.7399 2.7856 3.2633 3.2989 3.3903 3.4253 3.6075 3.6511 3.7376 3.8009 3.8402 3.9614 4.0125 4.0796 4.2897 4.3495 4.4065 4.5071 4.5787 4.6453 4.6757 4.7393 4.7745 4.8423 4.8827 4.9535 5.1117 5.1810 5.2875 5.3703 5.5810 5.6429 6.1025 6.1666 6.9542 7.1146 7.3881 7.6044 10.5946 10.6381 11.3014 11.3413 11.9207 11.9417 12.6544 12.7451 13.5641 13.6106 k = 0.5000-0.2609-0.2609 ( 5200 PWs) bands (ev): -4.9569 -4.9550 -4.6977 -4.6966 1.8976 1.9653 2.2835 2.3567 2.7643 2.8067 3.2605 3.2920 3.3830 3.4181 3.6006 3.6395 3.7299 3.7970 3.8351 3.9576 4.0074 4.0711 4.2866 4.3523 4.4090 4.5124 4.5764 4.6461 4.6800 4.7376 4.7787 4.8395 4.8868 4.9555 5.1169 5.1913 5.2949 5.3883 5.6136 5.6777 6.1196 6.1819 6.9807 7.1456 7.4208 7.6447 10.5556 10.5989 11.2527 11.2888 11.8778 11.8922 12.5939 12.6848 13.5599 13.5989 k = 0.5000-0.2500-0.2500 ( 5184 PWs) bands (ev): -4.9689 -4.9671 -4.7016 -4.7004 1.9063 1.9732 2.3086 2.3820 2.7851 2.8251 3.2591 3.2872 3.3770 3.4140 3.5933 3.6287 3.7221 3.7930 3.8306 3.9542 4.0035 4.0642 4.2843 4.3552 4.4117 4.5177 4.5739 4.6468 4.6843 4.7362 4.7824 4.8361 4.8912 4.9580 5.1213 5.2004 5.3032 5.4059 5.6459 5.7109 6.1392 6.1993 7.0021 7.1699 7.4477 7.6778 10.5251 10.5674 11.2108 11.2434 11.8319 11.8410 12.5352 12.6264 13.5565 13.5886 k = 0.5000-0.2391-0.2391 ( 5200 PWs) bands (ev): -4.9809 -4.9791 -4.7056 -4.7044 1.9163 1.9822 2.3345 2.4079 2.8019 2.8403 3.2588 3.2843 3.3724 3.4129 3.5852 3.6191 3.7142 3.7891 3.8260 3.9511 4.0008 4.0592 4.2826 4.3577 4.4143 4.5227 4.5711 4.6471 4.6883 4.7350 4.7852 4.8324 4.8956 4.9606 5.1249 5.2080 5.3124 5.4230 5.6777 5.7423 6.1608 6.2186 7.0182 7.1870 7.4679 7.7026 10.5033 10.5441 11.1765 11.2060 11.7821 11.7890 12.4788 12.5702 13.5517 13.5810 k = 0.5000-0.2283-0.2283 ( 5192 PWs) bands (ev): -4.9928 -4.9910 -4.7096 -4.7084 1.9274 1.9922 2.3613 2.4346 2.8147 2.8526 3.2591 3.2832 3.3696 3.4144 3.5762 3.6112 3.7063 3.7858 3.8213 3.9485 3.9996 4.0563 4.2819 4.3604 4.4169 4.5275 4.5684 4.6469 4.6919 4.7347 4.7869 4.8294 4.9001 4.9635 5.1283 5.2144 5.3226 5.4398 5.7088 5.7719 6.1845 6.2397 7.0289 7.1969 7.4812 7.7186 10.4903 10.5292 11.1505 11.1769 11.7279 11.7370 12.4251 12.5163 13.5439 13.5769 k = 0.5000-0.2174-0.2174 ( 5200 PWs) bands (ev): -5.0045 -5.0027 -4.7136 -4.7125 1.9397 2.0031 2.3888 2.4619 2.8237 2.8620 3.2596 3.2835 3.3688 3.4179 3.5660 3.6048 3.6989 3.7829 3.8162 3.9464 3.9998 4.0555 4.2819 4.3629 4.4190 4.5315 4.5657 4.6461 4.6950 4.7354 4.7873 4.8275 4.9047 4.9664 5.1314 5.2196 5.3338 5.4565 5.7392 5.7997 6.2096 6.2624 7.0341 7.1996 7.4870 7.7252 10.4862 10.5229 11.1327 11.1563 11.6708 11.6838 12.3743 12.4649 13.5341 13.5748 k = 0.5000-0.2065-0.2065 ( 5204 PWs) bands (ev): -5.0161 -5.0143 -4.7177 -4.7165 1.9530 2.0149 2.4169 2.4896 2.8294 2.8685 3.2602 3.2844 3.3701 3.4227 3.5549 3.5994 3.6925 3.7806 3.8108 3.9449 4.0014 4.0571 4.2825 4.3655 4.4206 4.5347 4.5633 4.6444 4.6976 4.7375 4.7865 4.8267 4.9094 4.9694 5.1344 5.2241 5.3458 5.4731 5.7686 5.8258 6.2358 6.2862 7.0343 7.1953 7.4855 7.7221 10.4906 10.5250 11.1233 11.1441 11.6119 11.6288 12.3266 12.4162 13.5242 13.5727 k = 0.5000-0.1957-0.1957 ( 5220 PWs) bands (ev): -5.0273 -5.0256 -4.7217 -4.7206 1.9671 2.0275 2.4456 2.5177 2.8323 2.8725 3.2609 3.2852 3.3732 3.4283 3.5431 3.5944 3.6874 3.7783 3.8059 3.9441 4.0041 4.0611 4.2837 4.3683 4.4216 4.5368 4.5609 4.6418 4.6997 4.7409 4.7849 4.8269 4.9141 4.9721 5.1377 5.2280 5.3585 5.4899 5.7972 5.8503 6.2624 6.3110 7.0295 7.1847 7.4766 7.7095 10.5030 10.5354 11.1215 11.1398 11.5518 11.5722 12.2822 12.3702 13.5152 13.5698 k = 0.5000-0.1848-0.1848 ( 5218 PWs) bands (ev): -5.0383 -5.0366 -4.7258 -4.7247 1.9821 2.0406 2.4747 2.5461 2.8331 2.8744 3.2619 3.2857 3.3773 3.4339 3.5309 3.5892 3.6844 3.7754 3.8028 3.9439 4.0079 4.0677 4.2855 4.3714 4.4219 4.5379 4.5590 4.6385 4.7018 4.7453 4.7830 4.8277 4.9189 4.9747 5.1412 5.2316 5.3721 5.5069 5.8248 5.8735 6.2891 6.3365 7.0204 7.1682 7.4609 7.6878 10.5229 10.5536 11.1267 11.1426 11.4911 11.5144 12.2412 12.3270 13.5077 13.5668 k = 0.5000-0.1739-0.1739 ( 5222 PWs) bands (ev): -5.0489 -5.0473 -4.7297 -4.7286 1.9978 2.0542 2.5042 2.5747 2.8324 2.8746 3.2629 3.2855 3.3814 3.4389 3.5184 3.5833 3.6832 3.7708 3.8028 3.9442 4.0128 4.0766 4.2878 4.3746 4.4215 4.5378 4.5571 4.6347 4.7038 4.7502 4.7815 4.8289 4.9237 4.9768 5.1451 5.2351 5.3867 5.5245 5.8513 5.8953 6.3150 6.3622 7.0075 7.1466 7.4388 7.6576 10.5495 10.5788 11.1378 11.1517 11.4303 11.4559 12.2036 12.2867 13.5022 13.5642 k = 0.5000-0.1630-0.1630 ( 5230 PWs) bands (ev): -5.0591 -5.0576 -4.7336 -4.7326 2.0139 2.0681 2.5339 2.6033 2.8307 2.8736 3.2641 3.2848 3.3846 3.4426 3.5060 3.5771 3.6837 3.7647 3.8062 3.9447 4.0187 4.0877 4.2903 4.3780 4.4206 4.5367 4.5554 4.6306 4.7058 4.7547 4.7809 4.8303 4.9284 4.9785 5.1494 5.2386 5.4022 5.5427 5.8769 5.9161 6.3394 6.3878 6.9913 7.1207 7.4113 7.6200 10.5817 10.6103 11.1535 11.1658 11.3700 11.3976 12.1692 12.2493 13.4988 13.5627 k = 0.5000-0.1522-0.1522 ( 5226 PWs) bands (ev): -5.0688 -5.0674 -4.7373 -4.7364 2.0304 2.0822 2.5636 2.6317 2.8286 2.8718 3.2653 3.2836 3.3860 3.4440 3.4946 3.5708 3.6853 3.7579 3.8123 3.9452 4.0261 4.1006 4.2932 4.3813 4.4196 4.5348 4.5538 4.6265 4.7077 4.7578 4.7822 4.8320 4.9328 4.9799 5.1541 5.2421 5.4191 5.5619 5.9013 5.9361 6.3618 6.4129 6.9725 7.0913 7.3796 7.5760 10.6184 10.6469 11.1725 11.1833 11.3113 11.3404 12.1381 12.2148 13.4978 13.5626 k = 0.5000-0.1413-0.1413 ( 5222 PWs) bands (ev): -5.0781 -5.0767 -4.7410 -4.7400 2.0471 2.0962 2.5932 2.6596 2.8266 2.8697 3.2666 3.2819 3.3849 3.4415 3.4861 3.5648 3.6873 3.7511 3.8204 3.9455 4.0348 4.1149 4.2962 4.3839 4.4191 4.5323 4.5523 4.6227 4.7095 4.7588 4.7858 4.8339 4.9369 4.9808 5.1591 5.2454 5.4375 5.5824 5.9244 5.9555 6.3814 6.4370 6.9515 7.0591 7.3448 7.5271 10.6585 10.6873 11.1921 11.2012 11.2560 11.2870 12.1102 12.1831 13.4992 13.5642 k = 0.5000-0.1304-0.1304 ( 5226 PWs) bands (ev): -5.0868 -5.0855 -4.7444 -4.7436 2.0636 2.1099 2.6224 2.6867 2.8251 2.8677 3.2677 3.2797 3.3809 3.4333 3.4820 3.5596 3.6894 3.7446 3.8297 3.9456 4.0450 4.1301 4.2994 4.3851 4.4201 4.5294 4.5508 4.6191 4.7107 4.7580 4.7910 4.8360 4.9404 4.9813 5.1643 5.2486 5.4576 5.6042 5.9459 5.9746 6.3975 6.4595 6.9290 7.0251 7.3083 7.4748 10.7004 10.7299 11.1892 11.2028 11.2274 11.2536 12.0854 12.1543 13.5033 13.5678 k = 0.5000-0.1196-0.1196 ( 5234 PWs) bands (ev): -5.0949 -5.0938 -4.7477 -4.7469 2.0800 2.1231 2.6509 2.7122 2.8250 2.8665 3.2685 3.2771 3.3738 3.4204 3.4817 3.5551 3.6913 3.7386 3.8396 3.9452 4.0566 4.1456 4.3027 4.3844 4.4232 4.5262 4.5494 4.6159 4.7114 4.7561 4.7968 4.8385 4.9433 4.9813 5.1696 5.2514 5.4796 5.6275 5.9653 5.9941 6.4093 6.4796 6.9052 6.9900 7.2715 7.4206 10.7425 10.7730 11.1438 11.1654 11.2452 11.2635 12.0635 12.1283 13.5101 13.5733 k = 0.5000-0.1087-0.1087 ( 5230 PWs) bands (ev): -5.1025 -5.1014 -4.7508 -4.7500 2.0959 2.1358 2.6783 2.7351 2.8273 2.8667 3.2681 3.2748 3.3640 3.4050 3.4835 3.5514 3.6931 3.7333 3.8497 3.9445 4.0695 4.1609 4.3063 4.3822 4.4283 4.5229 4.5482 4.6130 4.7114 4.7536 4.8029 4.8413 4.9458 4.9810 5.1748 5.2537 5.5038 5.6526 5.9824 6.0142 6.4163 6.4969 6.8805 6.9547 7.2357 7.3663 10.7823 10.8140 11.0995 11.1221 11.2671 11.2841 12.0444 12.1050 13.5195 13.5808 k = 0.5000-0.0978-0.0978 ( 5230 PWs) bands (ev): -5.1094 -5.1085 -4.7537 -4.7530 2.1112 2.1476 2.7036 2.7537 2.8331 2.8695 3.2650 3.2741 3.3518 3.3884 3.4863 3.5483 3.6946 3.7287 3.8593 3.9433 4.0834 4.1752 4.3103 4.3792 4.4347 4.5198 4.5473 4.6103 4.7108 4.7505 4.8088 4.8443 4.9479 4.9803 5.1799 5.2552 5.5302 5.6791 5.9973 6.0350 6.4177 6.5103 6.8554 6.9201 7.2022 7.3137 10.8164 10.8490 11.0633 11.0855 11.2884 11.3052 12.0281 12.0842 13.5315 13.5901 k = 0.5000-0.0870-0.0870 ( 5220 PWs) bands (ev): -5.1157 -5.1148 -4.7563 -4.7556 2.1257 2.1585 2.7261 2.7668 2.8431 2.8764 3.2593 3.2744 3.3380 3.3716 3.4896 3.5455 3.6962 3.7248 3.8684 3.9417 4.0981 4.1878 4.3148 4.3760 4.4419 4.5169 4.5469 4.6077 4.7096 4.7471 4.8145 4.8474 4.9496 4.9793 5.1848 5.2557 5.5588 5.7068 6.0104 6.0565 6.4130 6.5190 6.8303 6.8867 7.1720 7.2647 10.8392 10.8716 11.0406 11.0627 11.3082 11.3249 12.0145 12.0659 13.5462 13.6013 k = 0.5000-0.0761-0.0761 ( 5224 PWs) bands (ev): -5.1213 -5.1205 -4.7586 -4.7581 2.1392 2.1682 2.7443 2.7751 2.8562 2.8886 3.2516 3.2748 3.3230 3.3555 3.4932 3.5428 3.6975 3.7213 3.8767 3.9396 4.1129 4.1981 4.3200 4.3731 4.4493 4.5142 4.5469 4.6050 4.7080 4.7431 4.8198 4.8502 4.9511 4.9780 5.1894 5.2551 5.5896 5.7347 6.0223 6.0785 6.4021 6.5219 6.8063 6.8552 7.1459 7.2207 10.8455 10.8751 11.0372 11.0592 11.3260 11.3425 12.0034 12.0499 13.5631 13.6141 k = 0.5000-0.0652-0.0652 ( 5220 PWs) bands (ev): -5.1262 -5.1255 -4.7607 -4.7602 2.1515 2.1766 2.7575 2.7801 2.8719 2.9054 3.2420 3.2743 3.3080 3.3409 3.4970 3.5400 3.6988 3.7184 3.8843 3.9372 4.1277 4.2056 4.3260 4.3708 4.4566 4.5120 4.5476 4.6022 4.7063 4.7389 4.8250 4.8527 4.9525 4.9764 5.1941 5.2534 5.6220 5.7616 6.0336 6.1009 6.3852 6.5177 6.7845 6.8261 7.1242 7.1830 10.8368 10.8617 11.0507 11.0725 11.3417 11.3576 11.9947 12.0359 13.5821 13.6284 k = 0.5000-0.0543-0.0543 ( 5218 PWs) bands (ev): -5.1303 -5.1298 -4.7624 -4.7620 2.1625 2.1836 2.7660 2.7831 2.8899 2.9244 3.2309 3.2705 3.2955 3.3285 3.5009 3.5372 3.7001 3.7159 3.8911 3.9345 4.1419 4.2102 4.3324 4.3689 4.4635 4.5098 4.5494 4.5989 4.7048 4.7342 4.8299 4.8544 4.9540 4.9746 5.1987 5.2505 5.6556 5.7859 6.0454 6.1234 6.3639 6.5056 6.7660 6.8003 7.1071 7.1521 10.8207 10.8409 11.0725 11.0934 11.3552 11.3699 11.9883 12.0237 13.6029 13.6438 k = 0.5000-0.0435-0.0435 ( 5214 PWs) bands (ev): -5.1338 -5.1333 -4.7639 -4.7636 2.1721 2.1890 2.7714 2.7846 2.9095 2.9429 3.2194 3.2596 3.2897 3.3186 3.5048 3.5342 3.7014 3.7137 3.8973 3.9315 4.1554 4.2120 4.3390 4.3675 4.4700 4.5075 4.5523 4.5950 4.7039 4.7293 4.8345 4.8553 4.9556 4.9726 5.2035 5.2465 5.6896 5.8053 6.0587 6.1448 6.3411 6.4850 6.7516 6.7786 7.0944 7.1277 10.8035 10.8193 11.0959 11.1147 11.3665 11.3795 11.9841 12.0132 13.6249 13.6601 k = 0.5000-0.0326-0.0326 ( 5222 PWs) bands (ev): -5.1364 -5.1361 -4.7650 -4.7648 2.1801 2.1929 2.7750 2.7849 2.9292 2.9589 3.2090 3.2438 3.2891 3.3108 3.5087 3.5309 3.7026 3.7117 3.9028 3.9282 4.1677 4.2112 4.3452 4.3662 4.4760 4.5047 4.5564 4.5905 4.7038 4.7242 4.8389 4.8552 4.9574 4.9705 5.2084 5.2418 5.7226 5.8175 6.0748 6.1619 6.3222 6.4569 6.7414 6.7614 7.0859 7.1093 10.7886 10.8004 11.1171 11.1327 11.3757 11.3863 11.9818 12.0042 13.6476 13.6765 k = 0.5000-0.0217-0.0217 ( 5214 PWs) bands (ev): -5.1383 -5.1381 -4.7658 -4.7657 2.1865 2.1951 2.7777 2.7844 2.9475 2.9702 3.2018 3.2278 3.2905 3.3047 3.5126 3.5276 3.7040 3.7099 3.9080 3.9247 4.1788 4.2082 4.3509 4.3646 4.4818 4.5014 4.5615 4.5853 4.7049 4.7192 4.8431 4.8544 4.9594 4.9683 5.2137 5.2364 5.7534 5.8212 6.0942 6.1681 6.3158 6.4236 6.7355 6.7487 7.0811 7.0960 10.7777 10.7855 11.1343 11.1455 11.3829 11.3904 11.9815 11.9967 13.6700 13.6918 k = 0.5000-0.0109-0.0109 ( 5230 PWs) bands (ev): -5.1394 -5.1393 -4.7663 -4.7662 2.1912 2.1955 2.7799 2.7833 2.9624 2.9748 3.1998 3.2138 3.2928 3.2998 3.5164 3.5239 3.7052 3.7082 3.9126 3.9209 4.1885 4.2033 4.3556 4.3624 4.4873 4.4972 4.5673 4.5795 4.7070 4.7144 4.8467 4.8525 4.9615 4.9660 5.2192 5.2307 5.7803 5.8157 6.1164 6.1589 6.3279 6.3881 6.7334 6.7400 7.0797 7.0869 10.7717 10.7756 11.1463 11.1522 11.3880 11.3920 11.9830 11.9906 13.6900 13.7028 k = 0.5000-0.0000-0.0000 ( 5230 PWs) bands (ev): -5.1398 -5.1398 -4.7664 -4.7664 2.1943 2.1943 2.7818 2.7818 2.9721 2.9721 3.2040 3.2040 3.2959 3.2959 3.5202 3.5202 3.7067 3.7067 3.9169 3.9169 4.1967 4.1967 4.3595 4.3595 4.4925 4.4925 4.5734 4.5734 4.7103 4.7103 4.8499 4.8499 4.9637 4.9637 5.2249 5.2249 5.8016 5.8016 6.1394 6.1394 6.3544 6.3544 6.7350 6.7350 7.0816 7.0816 10.7709 10.7709 11.1524 11.1524 11.3911 11.3911 11.9860 11.9860 13.7030 13.7030 k = 0.5000-0.0000-0.0000 ( 5230 PWs) bands (ev): -5.1398 -5.1398 -4.7664 -4.7664 2.1943 2.1943 2.7818 2.7818 2.9721 2.9721 3.2040 3.2040 3.2959 3.2959 3.5202 3.5202 3.7067 3.7067 3.9169 3.9169 4.1967 4.1967 4.3595 4.3595 4.4925 4.4925 4.5734 4.5734 4.7103 4.7103 4.8499 4.8499 4.9637 4.9637 5.2249 5.2249 5.8016 5.8016 6.1394 6.1394 6.3544 6.3544 6.7350 6.7350 7.0816 7.0816 10.7709 10.7709 11.1524 11.1524 11.3911 11.3911 11.9860 11.9860 13.7030 13.7030 k = 0.5000-0.0109 0.0109 ( 5230 PWs) bands (ev): -5.1394 -5.1393 -4.7663 -4.7662 2.1908 2.1959 2.7796 2.7821 2.9641 2.9778 3.2021 3.2081 3.2944 3.2985 3.5165 3.5219 3.7060 3.7077 3.9137 3.9202 4.1886 4.2031 4.3514 4.3676 4.4860 4.4978 4.5695 4.5789 4.7052 4.7154 4.8440 4.8557 4.9600 4.9672 5.2225 5.2282 5.7880 5.8059 6.1133 6.1655 6.3259 6.3861 6.7299 6.7455 7.0801 7.0862 10.7709 10.7754 11.1499 11.1520 11.3890 11.3918 11.9829 11.9898 13.6706 13.6855 k = 0.5000-0.0217 0.0217 ( 5214 PWs) bands (ev): -5.1383 -5.1381 -4.7658 -4.7657 2.1857 2.1958 2.7756 2.7804 2.9548 2.9810 3.2030 3.2139 3.2941 3.3022 3.5109 3.5218 3.7057 3.7092 3.9109 3.9238 4.1791 4.2078 4.3440 4.3754 4.4787 4.5017 4.5675 4.5854 4.7005 4.7205 4.8381 4.8611 4.9562 4.9705 5.2210 5.2321 5.7659 5.8006 6.0903 6.1860 6.3069 6.4162 6.7315 6.7608 7.0819 7.0940 10.7750 10.7842 11.1446 11.1489 11.3853 11.3910 11.9805 11.9943 13.6229 13.6393 k = 0.5000-0.0326 0.0326 ( 5222 PWs) bands (ev): -5.1364 -5.1361 -4.7650 -4.7648 2.1789 2.1940 2.7697 2.7765 2.9450 2.9815 3.2064 3.2203 3.2949 3.3069 3.5034 3.5200 3.7057 3.7111 3.9081 3.9274 4.1682 4.2103 4.3374 4.3827 4.4707 4.5042 4.5675 4.5923 4.6960 4.7253 4.8324 4.8659 4.9522 4.9732 5.2205 5.2363 5.7370 5.7862 6.0712 6.1930 6.3037 6.4406 6.7413 6.7808 7.0870 7.1051 10.7829 10.7968 11.1369 11.1436 11.3801 11.3887 11.9789 11.9993 13.5713 13.5896 k = 0.5000-0.0435 0.0435 ( 5214 PWs) bands (ev): -5.1337 -5.1333 -4.7638 -4.7635 2.1705 2.1904 2.7618 2.7706 2.9354 2.9799 3.2118 3.2268 3.2969 3.3126 3.4944 3.5169 3.7062 3.7135 3.9056 3.9312 4.1561 4.2105 4.3323 4.3892 4.4625 4.5057 4.5692 4.5992 4.6921 4.7300 4.8270 4.8700 4.9483 4.9754 5.2211 5.2406 5.7033 5.7640 6.0557 6.1871 6.3140 6.4570 6.7596 6.8056 7.0961 7.1205 10.7934 10.8123 11.1277 11.1372 11.3731 11.3850 11.9780 12.0050 13.5191 13.5410 k = 0.5000-0.0543 0.0543 ( 5218 PWs) bands (ev): -5.1303 -5.1297 -4.7624 -4.7620 2.1606 2.1852 2.7514 2.7629 2.9266 2.9768 3.2182 3.2330 3.2997 3.3191 3.4841 3.5127 3.7071 3.7163 3.9032 3.9349 4.1428 4.2084 4.3289 4.3947 4.4544 4.5065 4.5718 4.6057 4.6890 4.7345 4.8220 4.8733 4.9444 4.9770 5.2226 5.2447 5.6666 5.7358 6.0430 6.1757 6.3273 6.4654 6.7853 6.8345 7.1090 7.1411 10.8051 10.8291 11.1185 11.1312 11.3643 11.3795 11.9779 12.0113 13.4682 13.4947 k = 0.5000-0.0652 0.0652 ( 5220 PWs) bands (ev): -5.1261 -5.1255 -4.7606 -4.7601 2.1492 2.1783 2.7386 2.7536 2.9190 2.9729 3.2243 3.2391 3.3033 3.3260 3.4732 3.5080 3.7085 3.7197 3.9008 3.9385 4.1284 4.2043 4.3270 4.3987 4.4470 4.5072 4.5749 4.6117 4.6866 4.7389 4.8174 4.8756 4.9406 4.9780 5.2249 5.2483 5.6287 5.7035 6.0320 6.1633 6.3368 6.4673 6.8169 6.8656 7.1260 7.1683 10.8157 10.8449 11.1114 11.1279 11.3537 11.3725 11.9786 12.0182 13.4200 13.4516 k = 0.5000-0.0761 0.0761 ( 5224 PWs) bands (ev): -5.1212 -5.1204 -4.7585 -4.7580 2.1364 2.1698 2.7233 2.7429 2.9124 2.9690 3.2288 3.2454 3.3071 3.3325 3.4623 3.5033 3.7104 3.7235 3.8983 3.9418 4.1132 4.1988 4.3265 4.4006 4.4411 4.5079 4.5779 4.6173 4.6849 4.7433 4.8131 4.8770 4.9368 4.9784 5.2274 5.2513 5.5909 5.6691 6.0217 6.1510 6.3401 6.4642 6.8529 6.8965 7.1468 7.2032 10.8226 10.8565 11.1095 11.1299 11.3415 11.3638 11.9802 12.0259 13.3753 13.4122 k = 0.5000-0.0870 0.0870 ( 5220 PWs) bands (ev): -5.1156 -5.1147 -4.7561 -4.7555 2.1225 2.1599 2.7060 2.7306 2.9069 2.9655 3.2315 3.2521 3.3110 3.3379 3.4521 3.4991 3.7131 3.7280 3.8956 3.9449 4.0974 4.1922 4.3270 4.4000 4.4375 4.5087 4.5805 4.6224 4.6839 4.7478 4.8093 4.8775 4.9332 4.9781 5.2297 5.2538 5.5541 5.6342 6.0115 6.1388 6.3373 6.4570 6.8916 6.9252 7.1714 7.2457 10.8232 10.8605 11.1160 11.1399 11.3278 11.3537 11.9828 12.0344 13.3350 13.3772 k = 0.5000-0.0978 0.0978 ( 5230 PWs) bands (ev): -5.1093 -5.1083 -4.7535 -4.7528 2.1075 2.1486 2.6869 2.7169 2.9023 2.9625 3.2323 3.2583 3.3146 3.3413 3.4433 3.4960 3.7165 3.7329 3.8927 3.9474 4.0815 4.1851 4.3281 4.3966 4.4364 4.5094 4.5825 4.6271 4.6833 4.7522 4.8058 4.8771 4.9295 4.9773 5.2304 5.2560 5.5190 5.6000 6.0008 6.1261 6.3297 6.4461 6.9305 6.9518 7.1994 7.2946 10.8161 10.8553 11.1322 11.1588 11.3135 11.3429 11.9864 12.0438 13.2996 13.3469 k = 0.5000-0.1087 0.1087 ( 5230 PWs) bands (ev): -5.1024 -5.1013 -4.7506 -4.7499 2.0917 2.1362 2.6665 2.7017 2.8986 2.9603 3.2318 3.2635 3.3178 3.3425 3.4363 3.4944 3.7209 3.7383 3.8895 3.9493 4.0661 4.1779 4.3294 4.3915 4.4371 4.5100 4.5841 4.6313 4.6833 4.7565 4.8026 4.8761 4.9259 4.9760 5.2284 5.2587 5.4859 5.5678 5.9893 6.1125 6.3186 6.4320 6.9631 6.9816 7.2306 7.3479 10.8020 10.8417 11.1565 11.1850 11.2999 11.3326 11.9912 12.0542 13.2694 13.3216 k = 0.5000-0.1196 0.1196 ( 5234 PWs) bands (ev): -5.0948 -5.0936 -4.7475 -4.7467 2.0751 2.1227 2.6451 2.6850 2.8955 2.9584 3.2299 3.2673 3.3200 3.3417 3.4309 3.4945 3.7263 3.7442 3.8860 3.9500 4.0522 4.1707 4.3309 4.3858 4.4387 4.5104 4.5854 4.6349 4.6837 4.7603 4.7998 4.8747 4.9223 4.9743 5.2229 5.2621 5.4549 5.5385 5.9767 6.0977 6.3049 6.4150 6.9853 7.0181 7.2642 7.4033 10.7826 10.8221 11.1840 11.2135 11.2908 11.3262 11.9975 12.0657 13.2448 13.3015 k = 0.5000-0.1304 0.1304 ( 5226 PWs) bands (ev): -5.0866 -5.0853 -4.7442 -4.7434 2.0581 2.1084 2.6229 2.6669 2.8930 2.9569 3.2268 3.2695 3.3214 3.3402 3.4270 3.4962 3.7328 3.7506 3.8822 3.9493 4.0404 4.1639 4.3322 4.3802 4.4405 4.5103 4.5867 4.6380 4.6847 4.7634 4.7975 4.8732 4.9187 4.9725 5.2140 5.2659 5.4258 5.5127 5.9627 6.0814 6.2895 6.3956 7.0029 7.0549 7.2991 7.4586 10.7600 10.7992 11.2058 11.2322 11.2973 11.3310 12.0054 12.0784 13.2258 13.2868 k = 0.5000-0.1413 0.1413 ( 5222 PWs) bands (ev): -5.0779 -5.0765 -4.7407 -4.7398 2.0407 2.0935 2.6001 2.6475 2.8910 2.9551 3.2227 3.2701 3.3216 3.3388 3.4241 3.4990 3.7402 3.7574 3.8784 3.9467 4.0317 4.1577 4.3332 4.3751 4.4423 4.5097 4.5880 4.6404 4.6860 4.7654 4.7959 4.8716 4.9150 4.9706 5.2022 5.2693 5.3985 5.4906 5.9473 6.0638 6.2727 6.3743 7.0180 7.0892 7.3341 7.5117 10.7362 10.7753 11.2118 11.2345 11.3255 11.3553 12.0151 12.0925 13.2124 13.2775 k = 0.5000-0.1522 0.1522 ( 5226 PWs) bands (ev): -5.0686 -5.0671 -4.7370 -4.7361 2.0232 2.0781 2.5768 2.6269 2.8891 2.9527 3.2177 3.2690 3.3210 3.3380 3.4224 3.5024 3.7484 3.7644 3.8746 3.9421 4.0264 4.1521 4.3339 4.3707 4.4439 4.5085 4.5893 4.6424 4.6874 4.7662 4.7948 4.8701 4.9114 4.9686 5.1881 5.2713 5.3734 5.4721 5.9302 6.0447 6.2549 6.3517 7.0312 7.1203 7.3677 7.5610 10.7129 10.7524 11.2067 11.2293 11.3656 11.3947 12.0269 12.1079 13.2045 13.2734 k = 0.5000-0.1630 0.1630 ( 5230 PWs) bands (ev): -5.0588 -5.0573 -4.7332 -4.7323 2.0058 2.0625 2.5531 2.6053 2.8870 2.9493 3.2125 3.2665 3.3204 3.3375 3.4220 3.5059 3.7571 3.7715 3.8715 3.9361 4.0244 4.1473 4.3341 4.3669 4.4452 4.5069 4.5905 4.6442 4.6886 4.7659 4.7942 4.8689 4.9078 4.9667 5.1725 5.2706 5.3515 5.4564 5.9115 6.0242 6.2363 6.3282 7.0424 7.1476 7.3984 7.6049 10.6917 10.7319 11.1999 11.2226 11.4109 11.4404 12.0410 12.1249 13.2019 13.2746 k = 0.5000-0.1739 0.1739 ( 5222 PWs) bands (ev): -5.0486 -5.0470 -4.7293 -4.7283 1.9886 2.0469 2.5291 2.5830 2.8845 2.9444 3.2074 3.2628 3.3202 3.3374 3.4231 3.5094 3.7659 3.7786 3.8693 3.9295 4.0252 4.1436 4.3342 4.3639 4.4462 4.5049 4.5916 4.6461 4.6892 4.7650 4.7937 4.8679 4.9044 4.9651 5.1560 5.2652 5.3350 5.4429 5.8912 6.0022 6.2173 6.3043 7.0512 7.1705 7.4249 7.6420 10.6739 10.7152 11.1957 11.2180 11.4580 11.4880 12.0576 12.1437 13.2043 13.2810 k = 0.5000-0.1848 0.1848 ( 5218 PWs) bands (ev): -5.0380 -5.0363 -4.7254 -4.7243 1.9718 2.0314 2.5050 2.5600 2.8807 2.9374 3.2032 3.2583 3.3206 3.3375 3.4259 3.5127 3.7744 3.7854 3.8687 3.9232 4.0282 4.1408 4.3340 4.3613 4.4468 4.5027 4.5924 4.6483 4.6891 4.7640 4.7929 4.8668 4.9015 4.9636 5.1393 5.2536 5.3251 5.4308 5.8693 5.9787 6.1982 6.2805 7.0573 7.1886 7.4459 7.6712 10.6605 10.7034 11.1965 11.2180 11.5050 11.5353 12.0770 12.1642 13.2115 13.2923 k = 0.5000-0.1957 0.1957 ( 5220 PWs) bands (ev): -5.0270 -5.0253 -4.7213 -4.7203 1.9556 2.0163 2.4809 2.5366 2.8751 2.9282 3.2001 3.2533 3.3219 3.3382 3.4303 3.5160 3.7818 3.7918 3.8700 3.9177 4.0328 4.1392 4.3337 4.3589 4.4470 4.5004 4.5927 4.6507 4.6879 4.7631 4.7917 4.8654 4.8992 4.9623 5.1228 5.2371 5.3204 5.4194 5.8457 5.9535 6.1793 6.2571 7.0602 7.2013 7.4605 7.6916 10.6526 10.6976 11.2035 11.2246 11.5505 11.5808 12.0994 12.1868 13.2231 13.3085 k = 0.5000-0.2065 0.2065 ( 5204 PWs) bands (ev): -5.0157 -5.0140 -4.7173 -4.7162 1.9401 2.0017 2.4568 2.5129 2.8669 2.9165 3.1985 3.2486 3.3243 3.3399 3.4362 3.5195 3.7875 3.7982 3.8733 3.9137 4.0388 4.1388 4.3335 4.3568 4.4470 4.4982 4.5925 4.6536 4.6858 4.7625 4.7902 4.8635 4.8979 4.9612 5.1068 5.2185 5.3183 5.4082 5.8207 5.9264 6.1611 6.2345 7.0594 7.2081 7.4680 7.7027 10.6511 10.6983 11.2178 11.2392 11.5938 11.6236 12.1247 12.2116 13.2390 13.3292 k = 0.5000-0.2174 0.2174 ( 5200 PWs) bands (ev): -5.0042 -5.0024 -4.7132 -4.7121 1.9255 1.9878 2.4329 2.4891 2.8554 2.9023 3.1984 3.2447 3.3279 3.3428 3.4436 3.5233 3.7914 3.8042 3.8781 3.9114 4.0460 4.1396 4.3335 4.3545 4.4465 4.4961 4.5918 4.6564 4.6830 4.7621 4.7884 4.8606 4.8975 4.9600 5.0916 5.1995 5.3170 5.3968 5.7941 5.8974 6.1439 6.2130 7.0545 7.2087 7.4681 7.7040 10.6565 10.7062 11.2400 11.2627 11.6342 11.6631 12.1532 12.2387 13.2588 13.3542 k = 0.5000-0.2283 0.2283 ( 5192 PWs) bands (ev): -4.9924 -4.9906 -4.7091 -4.7080 1.9118 1.9747 2.4094 2.4653 2.8397 2.8859 3.1998 3.2427 3.3330 3.3471 3.4521 3.5278 3.7941 3.8095 3.8840 3.9112 4.0540 4.1415 4.3338 4.3522 4.4457 4.4943 4.5904 4.6590 4.6800 4.7614 4.7867 4.8571 4.8979 4.9588 5.0775 5.1813 5.3152 5.3851 5.7660 5.8663 6.1279 6.1928 7.0453 7.2029 7.4605 7.6956 10.6697 10.7216 11.2704 11.2957 11.6711 11.6988 12.1847 12.2683 13.2822 13.3832 k = 0.5000-0.2391 0.2391 ( 5200 PWs) bands (ev): -4.9805 -4.9787 -4.7051 -4.7040 1.8991 1.9625 2.3862 2.4418 2.8198 2.8671 3.2025 3.2430 3.3396 3.3528 3.4618 3.5329 3.7961 3.8136 3.8900 3.9133 4.0627 4.1446 4.3341 4.3497 4.4446 4.4926 4.5882 4.6604 4.6777 4.7600 4.7856 4.8530 4.8987 4.9572 5.0643 5.1642 5.3124 5.3728 5.7365 5.8333 6.1133 6.1742 7.0314 7.1903 7.4453 7.6779 10.6908 10.7446 11.3091 11.3382 11.7046 11.7304 12.2190 12.3002 13.3092 13.4156 k = 0.5000-0.2500 0.2500 ( 5184 PWs) bands (ev): -4.9686 -4.9667 -4.7012 -4.7000 1.8877 1.9513 2.3637 2.4187 2.7959 2.8459 3.2068 3.2461 3.3478 3.3602 3.4726 3.5389 3.7980 3.8170 3.8958 3.9176 4.0718 4.1491 4.3347 4.3474 4.4433 4.4914 4.5856 4.6594 4.6776 4.7577 4.7854 4.8488 4.8997 4.9554 5.0524 5.1488 5.3081 5.3603 5.7057 5.7987 6.1000 6.1576 7.0130 7.1713 7.4229 7.6515 10.7204 10.7753 11.3555 11.3896 11.7349 11.7580 12.2559 12.3347 13.3393 13.4511 k = 0.5000-0.2609 0.2609 ( 5200 PWs) bands (ev): -4.9565 -4.9547 -4.6973 -4.6961 1.8774 1.9412 2.3419 2.3960 2.7684 2.8220 3.2127 3.2519 3.3575 3.3692 3.4841 3.5458 3.7997 3.8196 3.9008 3.9236 4.0808 4.1547 4.3347 4.3455 4.4418 4.4902 4.5824 4.6559 4.6796 4.7542 4.7858 4.8445 4.9005 4.9529 5.0417 5.1350 5.3013 5.3475 5.6735 5.7624 6.0880 6.1429 6.9900 7.1458 7.3938 7.6170 10.7582 10.8137 11.4086 11.4490 11.7622 11.7820 12.2951 12.3717 13.3724 13.4889 k = 0.5000-0.2717 0.2717 ( 5196 PWs) bands (ev): -4.9445 -4.9426 -4.6935 -4.6923 1.8684 1.9324 2.3209 2.3739 2.7380 2.7955 3.2204 3.2600 3.3686 3.3800 3.4965 3.5536 3.8015 3.8222 3.9053 3.9308 4.0897 4.1616 4.3337 4.3449 4.4403 4.4894 4.5788 4.6511 4.6828 4.7500 4.7868 4.8405 4.9010 4.9498 5.0322 5.1233 5.2918 5.3351 5.6400 5.7250 6.0772 6.1306 6.9628 7.1145 7.3587 7.5755 10.8044 10.8595 11.4670 11.5152 11.7872 11.8029 12.3367 12.4115 13.4080 13.5287 k = 0.5000-0.2826 0.2826 ( 5212 PWs) bands (ev): -4.9325 -4.9307 -4.6898 -4.6887 1.8607 1.9247 2.3008 2.3526 2.7054 2.7666 3.2300 3.2702 3.3809 3.3923 3.5096 3.5621 3.8033 3.8249 3.9093 3.9387 4.0981 4.1695 4.3313 4.3459 4.4386 4.4886 4.5749 4.6453 4.6864 4.7454 4.7878 4.8367 4.9009 4.9460 5.0239 5.1134 5.2789 5.3230 5.6055 5.6866 6.0676 6.1206 6.9317 7.0779 7.3182 7.5279 10.8586 10.9126 11.5285 11.5861 11.8105 11.8224 12.3805 12.4543 13.4460 13.5695 k = 0.5000-0.2935 0.2935 ( 5212 PWs) bands (ev): -4.9207 -4.9189 -4.6863 -4.6852 1.8543 1.9183 2.2817 2.3320 2.6710 2.7357 3.2416 3.2822 3.3946 3.4061 3.5233 3.5715 3.8051 3.8284 3.9130 3.9469 4.1059 4.1782 4.3281 4.3482 4.4371 4.4879 4.5709 4.6391 4.6900 4.7407 4.7884 4.8336 4.9002 4.9417 5.0170 5.1053 5.2630 5.3110 5.5699 5.6474 6.0592 6.1131 6.8972 7.0366 7.2732 7.4753 10.9204 10.9725 11.5898 11.6591 11.8310 11.8445 12.4271 12.5009 13.4860 13.6109 k = 0.5000-0.3043 0.3043 ( 5216 PWs) bands (ev): -4.9091 -4.9073 -4.6829 -4.6818 1.8494 1.9132 2.2636 2.3123 2.6353 2.7031 3.2549 3.2957 3.4095 3.4211 3.5376 3.5815 3.8071 3.8327 3.9165 3.9554 4.1132 4.1873 4.3245 4.3512 4.4356 4.4872 4.5670 4.6325 4.6935 4.7362 4.7881 4.8310 4.8988 4.9371 5.0112 5.0988 5.2446 5.2985 5.5336 5.6077 6.0520 6.1078 6.8599 6.9916 7.2245 7.4187 10.9891 11.0388 11.6470 11.7292 11.8508 11.8733 12.4772 12.5519 13.5275 13.6521 k = 0.5000-0.3152 0.3152 ( 5212 PWs) bands (ev): -4.8977 -4.8959 -4.6797 -4.6786 1.8459 1.9094 2.2466 2.2936 2.5987 2.6691 3.2698 3.3108 3.4254 3.4370 3.5523 3.5921 3.8092 3.8381 3.9200 3.9640 4.1200 4.1966 4.3209 4.3548 4.4344 4.4864 4.5634 4.6255 4.6967 4.7320 4.7867 4.8293 4.8967 4.9322 5.0067 5.0934 5.2244 5.2849 5.4966 5.5677 6.0463 6.1048 6.8205 6.9438 7.1728 7.3590 11.0642 11.1110 11.6956 11.7856 11.8796 11.9104 12.5316 12.6085 13.5701 13.6928 k = 0.5000-0.3261 0.3261 ( 5224 PWs) bands (ev): -4.8866 -4.8849 -4.6766 -4.6755 1.8438 1.9070 2.2308 2.2759 2.5615 2.6343 3.2860 3.3270 3.4423 3.4536 3.5673 3.6030 3.8116 3.8443 3.9235 3.9728 4.1264 4.2056 4.3173 4.3588 4.4334 4.4853 4.5601 4.6183 4.6994 4.7280 4.7838 4.8282 4.8939 4.9272 5.0034 5.0885 5.2029 5.2697 5.4592 5.5276 6.0422 6.1039 6.7796 6.8940 7.1187 7.2971 11.1446 11.1884 11.7327 11.8169 11.9272 11.9568 12.5916 12.6719 13.6136 13.7328 k = 0.5000-0.3370 0.3370 ( 5212 PWs) bands (ev): -4.8758 -4.8742 -4.6737 -4.6726 1.8432 1.9059 2.2161 2.2592 2.5240 2.5989 3.3034 3.3445 3.4602 3.4706 3.5823 3.6143 3.8146 3.8515 3.9273 3.9821 4.1325 4.2143 4.3139 4.3631 4.4327 4.4839 4.5574 4.6111 4.7014 4.7243 4.7795 4.8277 4.8909 4.9224 5.0012 5.0834 5.1811 5.2528 5.4217 5.4876 6.0400 6.1051 6.7381 6.8433 7.0630 7.2338 11.2296 11.2703 11.7592 11.8309 11.9838 12.0100 12.6583 12.7430 13.6574 13.7719 k = 0.5000-0.3478 0.3478 ( 5220 PWs) bands (ev): -4.8655 -4.8639 -4.6709 -4.6699 1.8439 1.9062 2.2025 2.2435 2.4866 2.5632 3.3216 3.3628 3.4786 3.4877 3.5973 3.6256 3.8181 3.8590 3.9319 3.9917 4.1383 4.2225 4.3106 4.3674 4.4322 4.4819 4.5551 4.6040 4.7024 4.7207 4.7742 4.8271 4.8874 4.9176 4.9999 5.0767 5.1602 5.2339 5.3843 5.4479 6.0397 6.1082 6.6964 6.7925 7.0062 7.1698 11.3180 11.3559 11.7780 11.8379 12.0388 12.0649 12.7326 12.8226 13.7011 13.8102 k = 0.5000-0.3587 0.3587 ( 5224 PWs) bands (ev): -4.8556 -4.8541 -4.6684 -4.6674 1.8462 1.9079 2.1901 2.2288 2.4494 2.5276 3.3405 3.3818 3.4973 3.5048 3.6118 3.6368 3.8226 3.8668 3.9375 4.0020 4.1440 4.2305 4.3077 4.3716 4.4321 4.4793 4.5533 4.5973 4.7023 4.7169 4.7684 4.8260 4.8839 4.9131 4.9993 5.0670 5.1418 5.2134 5.3473 5.4088 6.0415 6.1133 6.6553 6.7426 6.9489 7.1057 11.4083 11.4442 11.7920 11.8421 12.0895 12.1162 12.8147 12.9108 13.7445 13.8478 k = 0.5000-0.3696 0.3696 ( 5228 PWs) bands (ev): -4.8462 -4.8448 -4.6660 -4.6651 1.8499 1.9109 2.1788 2.2153 2.4127 2.4923 3.3597 3.4011 3.5162 3.5219 3.6258 3.6478 3.8281 3.8744 3.9446 4.0132 4.1497 4.2380 4.3052 4.3754 4.4323 4.4759 4.5520 4.5910 4.7010 4.7126 4.7625 4.8241 4.8801 4.9089 4.9988 5.0532 5.1273 5.1915 5.3110 5.3707 6.0456 6.1202 6.6155 6.6944 6.8915 7.0421 11.4987 11.5343 11.8037 11.8452 12.1349 12.1617 12.9041 13.0069 13.7871 13.8846 k = 0.5000-0.3804 0.3804 ( 5224 PWs) bands (ev): -4.8374 -4.8360 -4.6638 -4.6630 1.8550 1.9152 2.1685 2.2029 2.3767 2.4575 3.3790 3.4204 3.5347 3.5390 3.6389 3.6583 3.8348 3.8814 3.9537 4.0257 4.1554 4.2453 4.3033 4.3787 4.4328 4.4719 4.5513 4.5853 4.6987 4.7072 4.7569 4.8209 4.8757 4.9053 4.9976 5.0360 5.1167 5.1689 5.2756 5.3342 6.0520 6.1290 6.5774 6.6486 6.8344 6.9794 11.5860 11.6245 11.8151 11.8493 12.1750 12.2008 12.9997 13.1098 13.8286 13.9208 k = 0.5000-0.3913 0.3913 ( 5220 PWs) bands (ev): -4.8292 -4.8279 -4.6618 -4.6610 1.8615 1.9207 2.1591 2.1915 2.3417 2.4235 3.3982 3.4392 3.5523 3.5563 3.6509 3.6680 3.8429 3.8876 3.9647 4.0396 4.1614 4.2520 4.3019 4.3813 4.4335 4.4671 4.5512 4.5802 4.6956 4.7005 4.7518 4.8162 4.8701 4.9023 4.9936 5.0192 5.1080 5.1467 5.2413 5.2999 6.0610 6.1398 6.5415 6.6058 6.7781 6.9181 11.6645 11.7119 11.8284 11.8597 12.2099 12.2340 13.1001 13.2179 13.8686 13.9564 k = 0.5000-0.4022 0.4022 ( 5216 PWs) bands (ev): -4.8216 -4.8204 -4.6600 -4.6593 1.8695 1.9275 2.1505 2.1813 2.3078 2.3905 3.4169 3.4570 3.5689 3.5736 3.6616 3.6767 3.8522 3.8931 3.9777 4.0552 4.1677 4.2578 4.3015 4.3830 4.4342 4.4620 4.5515 4.5756 4.6901 4.6943 4.7467 4.8098 4.8624 4.8999 4.9831 5.0081 5.0994 5.1265 5.2083 5.2687 6.0725 6.1525 6.5082 6.5665 6.7228 6.8584 11.7238 11.7837 11.8526 11.8885 12.2404 12.2623 13.2036 13.3297 13.9068 13.9913 k = 0.5000-0.4130 0.4130 ( 5220 PWs) bands (ev): -4.8147 -4.8136 -4.6583 -4.6577 1.8788 1.9354 2.1426 2.1721 2.2754 2.3587 3.4348 3.4734 3.5848 3.5904 3.6707 3.6840 3.8626 3.8981 3.9924 4.0726 4.1746 4.2618 4.3022 4.3837 4.4348 4.4570 4.5524 4.5711 4.6808 4.6904 4.7413 4.8013 4.8525 4.8973 4.9690 5.0013 5.0891 5.1101 5.1774 5.2413 6.0865 6.1671 6.4777 6.5312 6.6689 6.8007 11.7576 11.8107 11.9140 11.9419 12.2674 12.2866 13.3087 13.4434 13.9428 14.0255 k = 0.5000-0.4239 0.4239 ( 5232 PWs) bands (ev): -4.8085 -4.8076 -4.6569 -4.6563 1.8895 1.9443 2.1351 2.1637 2.2451 2.3284 3.4517 3.4878 3.6001 3.6062 3.6783 3.6897 3.8734 3.9028 4.0087 4.0916 4.1821 4.2633 4.3040 4.3834 4.4349 4.4526 4.5536 4.5665 4.6699 4.6872 4.7354 4.7904 4.8409 4.8931 4.9572 4.9946 5.0767 5.0971 5.1502 5.2182 6.1032 6.1835 6.4503 6.5001 6.6167 6.7453 11.7743 11.8154 11.9903 12.0083 12.2917 12.3079 13.4139 13.5574 13.9763 14.0588 k = 0.5000-0.4348 0.4348 ( 5226 PWs) bands (ev): -4.8030 -4.8022 -4.6557 -4.6552 1.9015 1.9539 2.1279 2.1558 2.2177 2.2998 3.4674 3.5001 3.6149 3.6209 3.6842 3.6939 3.8841 3.9074 4.0270 4.1120 4.1903 4.2620 4.3066 4.3822 4.4348 4.4494 4.5545 4.5626 4.6583 4.6846 4.7292 4.7769 4.8294 4.8857 4.9501 4.9878 5.0634 5.0839 5.1301 5.1993 6.1225 6.2017 6.4261 6.4736 6.5665 6.6925 11.7831 11.8154 12.0628 12.0750 12.3145 12.3275 13.5178 13.6702 14.0071 14.0911 k = 0.5000-0.4457 0.4457 ( 5222 PWs) bands (ev): -4.7984 -4.7977 -4.6546 -4.6542 1.9146 1.9638 2.1208 2.1467 2.1951 2.2733 3.4815 3.5100 3.6289 3.6342 3.6883 3.6964 3.8938 3.9119 4.0470 4.1330 4.1991 4.2576 4.3095 4.3798 4.4350 4.4468 4.5523 4.5614 4.6469 4.6824 4.7228 4.7612 4.8195 4.8742 4.9480 4.9820 5.0497 5.0672 5.1199 5.1841 6.1443 6.2213 6.4050 6.4518 6.5189 6.6426 11.7884 11.8139 12.1261 12.1348 12.3369 12.3465 13.6188 13.7798 14.0349 14.1221 k = 0.5000-0.4565 0.4565 ( 5224 PWs) bands (ev): -4.7945 -4.7940 -4.6537 -4.6534 1.9286 1.9735 2.1138 2.1344 2.1803 2.2491 3.4938 3.5175 3.6420 3.6462 3.6906 3.6971 3.9020 3.9161 4.0689 4.1532 4.2080 4.2503 4.3124 4.3761 4.4360 4.4445 4.5471 4.5618 4.6378 4.6806 4.7169 4.7443 4.8119 4.8595 4.9500 4.9782 5.0360 5.0487 5.1175 5.1717 6.1686 6.2417 6.3869 6.4339 6.4752 6.5958 11.7921 11.8117 12.1774 12.1835 12.3598 12.3659 13.7153 13.8832 14.0603 14.1519 k = 0.5000-0.4674 0.4674 ( 5226 PWs) bands (ev): -4.7915 -4.7911 -4.6530 -4.6528 1.9432 1.9819 2.1068 2.1192 2.1737 2.2278 3.5043 3.5225 3.6538 3.6566 3.6913 3.6963 3.9087 3.9195 4.0923 4.1704 4.2164 4.2409 4.3160 4.3704 4.4375 4.4424 4.5418 4.5600 4.6340 4.6790 4.7117 4.7278 4.8067 4.8437 4.9548 4.9767 5.0230 5.0310 5.1195 5.1613 6.1952 6.2620 6.3716 6.4140 6.4429 6.5528 11.7950 11.8093 12.2150 12.2191 12.3826 12.3855 13.8051 13.9715 14.0888 14.1807 k = 0.5000-0.4783 0.4783 ( 5232 PWs) bands (ev): -4.7893 -4.7890 -4.6525 -4.6523 1.9579 1.9873 2.1002 2.1050 2.1731 2.2097 3.5128 3.5251 3.6640 3.6655 3.6903 3.6939 3.9140 3.9215 4.1163 4.1801 4.2234 4.2323 4.3213 4.3622 4.4390 4.4408 4.5383 4.5547 4.6374 4.6761 4.7072 4.7136 4.8042 4.8290 4.9615 4.9771 5.0116 5.0157 5.1239 5.1522 6.2237 6.2797 6.3588 6.3826 6.4337 6.5142 11.7975 11.8069 12.2395 12.2421 12.4025 12.4034 13.8852 14.0205 14.1403 14.2095 k = 0.5000-0.4891 0.4891 ( 5232 PWs) bands (ev): -4.7879 -4.7878 -4.6522 -4.6521 1.9715 1.9878 2.0949 2.0957 2.1767 2.1951 3.5192 3.5254 3.6720 3.6724 3.6884 3.6905 3.9180 3.9219 4.1398 4.1765 4.2279 4.2290 4.3294 4.3516 4.4397 4.4400 4.5380 4.5476 4.6466 4.6695 4.7039 4.7048 4.8048 4.8172 4.9693 4.9782 5.0029 5.0039 5.1297 5.1440 6.2531 6.2894 6.3486 6.3538 6.4393 6.4813 11.7998 11.8045 12.2532 12.2544 12.4161 12.4162 13.9514 14.0241 14.2135 14.2386 k = 0.5000-0.5000 0.5000 ( 5232 PWs) bands (ev): -4.7874 -4.7874 -4.6521 -4.6521 1.9822 1.9822 2.0926 2.0926 2.1841 2.1841 3.5234 3.5234 3.6756 3.6756 3.6876 3.6876 3.9207 3.9207 4.1610 4.1610 4.2292 4.2292 4.3400 4.3400 4.4399 4.4399 4.5414 4.5414 4.6585 4.6585 4.7024 4.7024 4.8090 4.8090 4.9761 4.9761 4.9990 4.9990 5.1365 5.1365 6.2792 6.2792 6.3432 6.3432 6.4557 6.4557 11.8021 11.8021 12.2579 12.2579 12.4209 12.4209 13.9991 13.9991 14.2601 14.2601 Writing output data file Ag3SI.save init_run : 3.76s CPU 13.19s WALL ( 1 calls) electrons : 762.58s CPU 770.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 762.53s CPU 770.34s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.52s WALL ( 1 calls) newd : 0.45s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 359 calls) cegterg : 719.73s CPU 724.76s WALL ( 782 calls) Called by sum_band: Called by *egterg: h_psi : 290.29s CPU 298.37s WALL ( 12692 calls) s_psi : 38.72s CPU 39.09s WALL ( 12692 calls) g_psi : 0.89s CPU 0.90s WALL ( 11551 calls) cdiaghg : 282.27s CPU 279.80s WALL ( 11910 calls) cegterg:over : 67.15s CPU 64.61s WALL ( 11551 calls) cegterg:upda : 16.73s CPU 20.11s WALL ( 11551 calls) cegterg:last : 13.39s CPU 14.04s WALL ( 1859 calls) Called by h_psi: h_psi:vloc : 213.56s CPU 219.85s WALL ( 12692 calls) h_psi:vnl : 76.34s CPU 77.60s WALL ( 12692 calls) add_vuspsi : 27.79s CPU 31.94s WALL ( 12692 calls) General routines calbec : 48.51s CPU 45.47s WALL ( 12692 calls) fft : 0.28s CPU 1.23s WALL ( 15 calls) fftw : 205.95s CPU 210.90s WALL ( 1317272 calls) davcio : 0.03s CPU 2.04s WALL ( 718 calls) Parallel routines fft_scatter : 132.62s CPU 135.57s WALL ( 1317287 calls) PWSCF : 13m55.46s CPU 16m24.29s WALL This run was terminated on: 21:16:41 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=