Program PWSCF v.5.3.0 (svn rev. 11974) starts on 25Nov2016 at 10:43:20 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 64 processors R & G space division: proc/nbgrp/npool/nimage = 64 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/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 19 5 515 515 81 Max 20 20 6 518 518 88 Sum 1237 1237 373 33059 33059 5377 bravais-lattice index = 14 lattice parameter (alat) = 9.2256 a.u. unit-cell volume = 785.2173 (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 = 46.0000 Ry charge density cutoff = 184.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.225642 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.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients 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 and the name of the first element: E 1 identity -E -1 identity E C3 3 120 deg rotation - cart. axis [1,1,1] -C3 -3 120 deg rotation - cart. axis [1,1,1] E C3^2 2 120 deg rotation - cart. axis [-1,-1,-1] -C3^2 -2 120 deg rotation - cart. axis [-1,-1,-1] E 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: 33059 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 140, 56) NL pseudopotentials 0.18 Mb ( 70, 170) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 517) G-vector shells 0.00 Mb ( 184) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 140, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) Each matrix 0.29 Mb ( 170, 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 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 8.1 secs Computing kpt #: 3 total cpu time spent up to now is 9.9 secs Computing kpt #: 4 total cpu time spent up to now is 12.3 secs Computing kpt #: 5 total cpu time spent up to now is 14.7 secs Computing kpt #: 6 total cpu time spent up to now is 17.3 secs Computing kpt #: 7 total cpu time spent up to now is 19.4 secs Computing kpt #: 8 total cpu time spent up to now is 21.3 secs Computing kpt #: 9 total cpu time spent up to now is 22.7 secs Computing kpt #: 10 total cpu time spent up to now is 24.2 secs Computing kpt #: 11 total cpu time spent up to now is 26.6 secs Computing kpt #: 12 total cpu time spent up to now is 28.8 secs Computing kpt #: 13 total cpu time spent up to now is 30.9 secs Computing kpt #: 14 total cpu time spent up to now is 32.1 secs Computing kpt #: 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total cpu time spent up to now is 139.9 secs Computing kpt #: 78 total cpu time spent up to now is 141.1 secs Computing kpt #: 79 total cpu time spent up to now is 142.4 secs Computing kpt #: 80 total cpu time spent up to now is 143.4 secs Computing kpt #: 81 total cpu time spent up to now is 145.6 secs Computing kpt #: 82 total cpu time spent up to now is 147.7 secs Computing kpt #: 83 total cpu time spent up to now is 149.9 secs Computing kpt #: 84 total cpu time spent up to now is 151.7 secs Computing kpt #: 85 total cpu time spent up to now is 153.0 secs Computing kpt #: 86 total cpu time spent up to now is 154.4 secs Computing kpt #: 87 total cpu time spent up to now is 156.3 secs Computing kpt #: 88 total cpu time spent up to now is 157.9 secs Computing kpt #: 89 total cpu time spent up to now is 159.2 secs Computing kpt #: 90 total cpu time spent up to now is 160.8 secs Computing kpt #: 91 total cpu time spent up to now is 163.2 secs Computing kpt #: 92 total cpu time spent up 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total cpu time spent up to now is 271.6 secs Computing kpt #: 154 total cpu time spent up to now is 272.6 secs Computing kpt #: 155 total cpu time spent up to now is 273.5 secs Computing kpt #: 156 total cpu time spent up to now is 274.4 secs Computing kpt #: 157 total cpu time spent up to now is 275.5 secs Computing kpt #: 158 total cpu time spent up to now is 277.1 secs Computing kpt #: 159 total cpu time spent up to now is 278.0 secs Computing kpt #: 160 total cpu time spent up to now is 278.9 secs Computing kpt #: 161 total cpu time spent up to now is 280.2 secs Computing kpt #: 162 total cpu time spent up to now is 281.6 secs Computing kpt #: 163 total cpu time spent up to now is 283.0 secs Computing kpt #: 164 total cpu time spent up to now is 285.0 secs Computing kpt #: 165 total cpu time spent up to now is 287.1 secs Computing kpt #: 166 total cpu time spent up to now is 288.5 secs Computing kpt #: 167 total cpu time spent up to now is 290.2 secs Computing kpt #: 168 total cpu 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up to now is 323.1 secs Computing kpt #: 184 total cpu time spent up to now is 327.3 secs Computing kpt #: 185 total cpu time spent up to now is 330.5 secs Computing kpt #: 186 total cpu time spent up to now is 333.0 secs Computing kpt #: 187 total cpu time spent up to now is 339.7 secs Computing kpt #: 188 total cpu time spent up to now is 344.4 secs Computing kpt #: 189 total cpu time spent up to now is 349.7 secs Computing kpt #: 190 total cpu time spent up to now is 355.3 secs Computing kpt #: 191 total cpu time spent up to now is 359.1 secs Computing kpt #: 192 total cpu time spent up to now is 362.9 secs Computing kpt #: 193 total cpu time spent up to now is 365.6 secs Computing kpt #: 194 total cpu time spent up to now is 368.8 secs Computing kpt #: 195 total cpu time spent up to now is 371.0 secs Computing kpt #: 196 total cpu time spent up to now is 373.3 secs Computing kpt #: 197 total cpu time spent up to now is 377.0 secs Computing kpt #: 198 total cpu time spent up to now 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kpt #: 244 total cpu time spent up to now is 454.8 secs Computing kpt #: 245 total cpu time spent up to now is 457.6 secs Computing kpt #: 246 total cpu time spent up to now is 458.7 secs Computing kpt #: 247 total cpu time spent up to now is 460.1 secs Computing kpt #: 248 total cpu time spent up to now is 461.9 secs Computing kpt #: 249 total cpu time spent up to now is 464.8 secs Computing kpt #: 250 total cpu time spent up to now is 470.5 secs Computing kpt #: 251 total cpu time spent up to now is 474.2 secs Computing kpt #: 252 total cpu time spent up to now is 476.9 secs Computing kpt #: 253 total cpu time spent up to now is 478.9 secs Computing kpt #: 254 total cpu time spent up to now is 481.3 secs Computing kpt #: 255 total cpu time spent up to now is 483.1 secs Computing kpt #: 256 total cpu time spent up to now is 484.1 secs Computing kpt #: 257 total cpu time spent up to now is 485.8 secs Computing kpt #: 258 total cpu time spent up to now is 488.3 secs Computing kpt #: 259 total cpu time spent up to now is 489.9 secs Computing kpt #: 260 total cpu time spent up to now is 492.7 secs Computing kpt #: 261 total cpu time spent up to now is 494.9 secs Computing kpt #: 262 total cpu time spent up to now is 496.9 secs Computing kpt #: 263 total cpu time spent up to now is 500.7 secs Computing kpt #: 264 total cpu time spent up to now is 504.0 secs Computing kpt #: 265 total cpu time spent up to now is 505.9 secs Computing kpt #: 266 total cpu time spent up to now is 508.0 secs Computing kpt #: 267 total cpu time spent up to now is 510.0 secs Computing kpt #: 268 total cpu time spent up to now is 512.4 secs Computing kpt #: 269 total cpu time spent up to now is 513.4 secs Computing kpt #: 270 total cpu time spent up to now is 514.4 secs Computing kpt #: 271 total cpu time spent up to now is 515.7 secs Computing kpt #: 272 total cpu time spent up to now is 517.1 secs Computing kpt #: 273 total cpu time spent up to now is 518.1 secs Computing kpt #: 274 total cpu time spent up to now is 519.2 secs Computing kpt #: 275 total cpu time spent up to now is 522.9 secs Computing kpt #: 276 total cpu time spent up to now is 525.2 secs Computing kpt #: 277 total cpu time spent up to now is 527.2 secs Computing kpt #: 278 total cpu time spent up to now is 528.8 secs Computing kpt #: 279 total cpu time spent up to now is 530.6 secs Computing kpt #: 280 total cpu time spent up to now is 532.1 secs Computing kpt #: 281 total cpu time spent up to now is 533.1 secs Computing kpt #: 282 total cpu time spent up to now is 534.5 secs Computing kpt #: 283 total cpu time spent up to now is 536.9 secs Computing kpt #: 284 total cpu time spent up to now is 539.1 secs Computing kpt #: 285 total cpu time spent up to now is 541.2 secs Computing kpt #: 286 total cpu time spent up to now is 542.3 secs Computing kpt #: 287 total cpu time spent up to now is 543.3 secs Computing kpt #: 288 total cpu time spent up to now is 544.3 secs Computing kpt #: 289 total cpu time spent up to now is 545.7 secs Computing kpt #: 290 total cpu time spent up to now is 547.2 secs Computing kpt #: 291 total cpu time spent up to now is 548.2 secs Computing kpt #: 292 total cpu time spent up to now is 549.2 secs Computing kpt #: 293 total cpu time spent up to now is 550.8 secs Computing kpt #: 294 total cpu time spent up to now is 552.6 secs Computing kpt #: 295 total cpu time spent up to now is 554.5 secs Computing kpt #: 296 total cpu time spent up to now is 557.8 secs Computing kpt #: 297 total cpu time spent up to now is 559.9 secs Computing kpt #: 298 total cpu time spent up to now is 561.0 secs Computing kpt #: 299 total cpu time spent up to now is 563.3 secs Computing kpt #: 300 total cpu time spent up to now is 565.8 secs Computing kpt #: 301 total cpu time spent up to now is 569.8 secs Computing kpt #: 302 total cpu time spent up to now is 572.2 secs Computing kpt #: 303 total cpu time spent up to now is 573.7 secs Computing kpt #: 304 total cpu time spent up to now is 575.6 secs Computing kpt #: 305 total cpu time spent up to now is 577.5 secs Computing kpt #: 306 total cpu time spent up to now is 579.9 secs Computing kpt #: 307 total cpu time spent up to now is 581.8 secs Computing kpt #: 308 total cpu time spent up to now is 584.6 secs Computing kpt #: 309 total cpu time spent up to now is 587.1 secs Computing kpt #: 310 total cpu time spent up to now is 589.0 secs Computing kpt #: 311 total cpu time spent up to now is 591.7 secs Computing kpt #: 312 total cpu time spent up to now is 593.1 secs Computing kpt #: 313 total cpu time spent up to now is 595.0 secs Computing kpt #: 314 total cpu time spent up to now is 597.4 secs Computing kpt #: 315 total cpu time spent up to now is 600.0 secs Computing kpt #: 316 total cpu time spent up to now is 602.8 secs Computing kpt #: 317 total cpu time spent up to now is 605.0 secs Computing kpt #: 318 total cpu time spent up to now is 607.7 secs Computing kpt #: 319 total cpu time spent up to now is 610.0 secs Computing kpt #: 320 total cpu time spent up to now is 612.2 secs Computing kpt #: 321 total cpu time spent up to now is 615.3 secs Computing kpt #: 322 total cpu time spent up to now is 618.2 secs Computing kpt #: 323 total cpu time spent up to now is 621.4 secs Computing kpt #: 324 total cpu time spent up to now is 623.5 secs Computing kpt #: 325 total cpu time spent up to now is 626.7 secs Computing kpt #: 326 total cpu time spent up to now is 628.9 secs Computing kpt #: 327 total cpu time spent up to now is 631.1 secs Computing kpt #: 328 total cpu time spent up to now is 632.7 secs Computing kpt #: 329 total cpu time spent up to now is 634.4 secs Computing kpt #: 330 total cpu time spent up to now is 637.0 secs Computing kpt #: 331 total cpu time spent up to now is 638.7 secs Computing kpt #: 332 total cpu time spent up to now is 642.6 secs Computing kpt #: 333 total cpu time spent up to now is 645.6 secs Computing kpt #: 334 total cpu time spent up to now is 647.3 secs Computing kpt #: 335 total cpu time spent up to now is 649.2 secs Computing kpt #: 336 total cpu time spent up to now is 650.5 secs Computing kpt #: 337 total cpu time spent up to now is 652.5 secs Computing kpt #: 338 total cpu time spent up to now is 654.3 secs Computing kpt #: 339 total cpu time spent up to now is 657.1 secs Computing kpt #: 340 total cpu time spent up to now is 662.4 secs Computing kpt #: 341 total cpu time spent up to now is 665.6 secs Computing kpt #: 342 total cpu time spent up to now is 670.6 secs Computing kpt #: 343 total cpu time spent up to now is 673.7 secs Computing kpt #: 344 total cpu time spent up to now is 676.6 secs Computing kpt #: 345 total cpu time spent up to now is 678.6 secs Computing kpt #: 346 total cpu time spent up to now is 684.7 secs Computing kpt #: 347 total cpu time spent up to now is 690.6 secs Computing kpt #: 348 total cpu time spent up to now is 693.0 secs Computing kpt #: 349 total cpu time spent up to now is 694.0 secs Computing kpt #: 350 total cpu time spent up to now is 696.7 secs Computing kpt #: 351 total cpu time spent up to now is 700.3 secs Computing kpt #: 352 total cpu time spent up to now is 704.4 secs Computing kpt #: 353 total cpu time spent up to now is 707.1 secs Computing kpt #: 354 total cpu time spent up to now is 709.0 secs Computing kpt #: 355 total cpu time spent up to now is 711.2 secs Computing kpt #: 356 total cpu time spent up to now is 713.2 secs Computing kpt #: 357 total cpu time spent up to now is 715.9 secs Computing kpt #: 358 total cpu time spent up to now is 721.8 secs Computing kpt #: 359 total cpu time spent up to now is 725.6 secs ethr = 2.17E-11, avg # of iterations = 32.6 total cpu time spent up to now is 725.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -5.5961 -5.5961 -4.7399 -4.7399 2.8125 2.8125 2.8319 2.8319 2.9719 2.9719 3.5093 3.5093 3.5325 3.5325 3.6223 3.6223 3.7056 3.7056 3.9399 3.9399 3.9448 3.9448 4.2888 4.2888 4.3388 4.3388 4.5175 4.5175 4.6947 4.6947 4.8000 4.8000 4.9022 4.9022 5.0442 5.0442 5.2180 5.2180 5.3138 5.3138 6.7234 6.7234 7.0295 7.0295 7.0388 7.0388 8.0542 8.0542 9.7566 9.7566 9.7692 9.7692 14.7680 14.7680 14.8430 14.8430 k = 0.0089-0.0089 0.0089 ( 4127 PWs) bands (ev): -5.5956 -5.5956 -4.7400 -4.7399 2.7940 2.8066 2.8297 2.8547 2.9558 2.9891 3.5036 3.5126 3.5292 3.5339 3.6202 3.6245 3.7025 3.7091 3.9275 3.9352 3.9504 3.9549 4.2774 4.2975 4.3348 4.3434 4.5104 4.5245 4.6828 4.7049 4.7976 4.8020 4.8822 4.9177 5.0353 5.0596 5.2141 5.2275 5.3109 5.3178 6.7114 6.7317 7.0177 7.0281 7.0354 7.0451 8.0616 8.0661 9.7550 9.7644 9.7684 9.7773 14.7093 14.7653 14.8130 14.8407 k = 0.0179-0.0179 0.0179 ( 4115 PWs) bands (ev): -5.5939 -5.5938 -4.7402 -4.7400 2.7671 2.7912 2.8359 2.8794 2.9414 3.0072 3.4954 3.5138 3.5240 3.5338 3.6187 3.6260 3.6996 3.7134 3.9130 3.9275 3.9565 3.9667 4.2638 4.3020 4.3333 4.3472 4.5031 4.5312 4.6697 4.7123 4.7949 4.8033 4.8625 4.9248 5.0339 5.0787 5.2169 5.2417 5.3089 5.3235 6.6957 6.7358 6.9952 7.0169 7.0332 7.0518 8.0877 8.0961 9.7599 9.7734 9.7798 9.7925 14.6301 14.6911 14.8047 14.8255 k = 0.0268-0.0268 0.0268 ( 4115 PWs) bands (ev): -5.5911 -5.5910 -4.7406 -4.7403 2.7383 2.7731 2.8401 2.9002 2.9316 3.0259 3.4849 3.5122 3.5169 3.5329 3.6173 3.6265 3.6964 3.7187 3.8977 3.9198 3.9611 3.9775 4.2485 4.3016 4.3353 4.3499 4.4958 4.5373 4.6564 4.7162 4.7916 4.8038 4.8468 4.9242 5.0370 5.0976 5.2280 5.2589 5.3083 5.3329 6.6757 6.7338 6.9651 7.0018 7.0292 7.0600 8.1304 8.1418 9.7714 9.7865 9.8005 9.8146 14.5374 14.5996 14.7788 14.8040 k = 0.0357-0.0357 0.0357 ( 4115 PWs) bands (ev): -5.5872 -5.5871 -4.7410 -4.7406 2.7085 2.7524 2.8421 2.9025 2.9404 3.0449 3.4724 3.5031 3.5127 3.5319 3.6147 3.6265 3.6927 3.7251 3.8820 3.9125 3.9640 3.9871 4.2318 4.2984 4.3389 4.3516 4.4886 4.5426 4.6434 4.7163 4.7870 4.8036 4.8371 4.9198 5.0407 5.1122 5.2479 5.2752 5.3113 5.3494 6.6505 6.7234 6.9319 6.9850 7.0258 7.0694 8.1872 8.2005 9.7895 9.8064 9.8276 9.8433 14.4341 14.4967 14.7338 14.7689 k = 0.0446-0.0446 0.0446 ( 4103 PWs) bands (ev): -5.5823 -5.5820 -4.7416 -4.7410 2.6780 2.7295 2.8421 2.8916 2.9622 3.0641 3.4583 3.4888 3.5098 3.5308 3.6100 3.6263 3.6886 3.7324 3.8660 3.9060 3.9646 3.9956 4.2147 4.2945 4.3405 4.3540 4.4819 4.5468 4.6317 4.7133 4.7811 4.8035 4.8327 4.9146 5.0428 5.1212 5.2698 5.2850 5.3254 5.3762 6.6190 6.7019 6.9002 6.9710 7.0233 7.0799 8.2550 8.2694 9.8140 9.8331 9.8607 9.8783 14.3226 14.3852 14.6679 14.7138 k = 0.0536-0.0536 0.0536 ( 4097 PWs) bands (ev): -5.5762 -5.5759 -4.7422 -4.7416 2.6468 2.7046 2.8401 2.8786 2.9855 3.0832 3.4428 3.4720 3.5065 3.5294 3.6031 3.6251 3.6841 3.7403 3.8499 3.9004 3.9626 4.0027 4.1979 4.2909 4.3386 4.3577 4.4759 4.5491 4.6218 4.7083 4.7746 4.8039 4.8311 4.9101 5.0433 5.1257 5.2827 5.2891 5.3577 5.4130 6.5809 6.6685 6.8732 6.9628 7.0216 7.0912 8.3316 8.3465 9.8449 9.8663 9.8997 9.9193 14.2050 14.2672 14.5815 14.6362 k = 0.0625-0.0625 0.0625 ( 4109 PWs) bands (ev): -5.5691 -5.5688 -4.7430 -4.7422 2.6149 2.6780 2.8362 2.8648 3.0087 3.1020 3.4259 3.4531 3.5028 3.5274 3.5945 3.6223 3.6793 3.7485 3.8339 3.8958 3.9579 4.0083 4.1820 4.2879 4.3341 4.3617 4.4706 4.5492 4.6141 4.7027 4.7682 4.8046 4.8302 4.9067 5.0427 5.1275 5.2854 5.2929 5.4020 5.4569 6.5366 6.6250 6.8519 6.9609 7.0206 7.1035 8.4150 8.4299 9.8820 9.9060 9.9442 9.9660 14.0833 14.1449 14.4783 14.5387 k = 0.0714-0.0714 0.0714 ( 4112 PWs) bands (ev): -5.5609 -5.5606 -4.7438 -4.7430 2.5824 2.6499 2.8305 2.8506 3.0314 3.1203 3.4076 3.4327 3.4986 3.5249 3.5846 3.6176 3.6746 3.7565 3.8185 3.8923 3.9506 4.0126 4.1679 4.2855 4.3280 4.3655 4.4663 4.5469 4.6089 4.6971 4.7621 4.8055 4.8291 4.9042 5.0421 5.1279 5.2848 5.2959 5.4511 5.5061 6.4877 6.5750 6.8356 6.9640 7.0201 7.1167 8.5037 8.5185 9.9250 9.9519 9.9941 10.0179 13.9592 14.0200 14.3640 14.4274 k = 0.0804-0.0804 0.0804 ( 4106 PWs) bands (ev): -5.5518 -5.5514 -4.7446 -4.7437 2.5494 2.6205 2.8229 2.8359 3.0534 3.1380 3.3881 3.4114 3.4939 3.5216 3.5740 3.6110 3.6700 3.7637 3.8043 3.8897 3.9411 4.0155 4.1557 4.2836 4.3211 4.3686 4.4629 4.5427 4.6055 4.6921 4.7564 4.8064 4.8275 4.9020 5.0419 5.1276 5.2836 5.2976 5.5017 5.5590 6.4359 6.5220 6.8232 6.9705 7.0205 7.1306 8.5965 8.6112 9.9737 10.0038 10.0490 10.0748 13.8342 13.8942 14.2433 14.3082 k = 0.0893-0.0893 0.0893 ( 4115 PWs) bands (ev): -5.5417 -5.5412 -4.7456 -4.7446 2.5159 2.5899 2.8130 2.8212 3.0745 3.1547 3.3671 3.3894 3.4886 3.5174 3.5631 3.6029 3.6656 3.7683 3.7933 3.8877 3.9303 4.0170 4.1454 4.2819 4.3139 4.3713 4.4601 4.5372 4.6032 4.6873 4.7511 4.8070 4.8255 4.8995 5.0427 5.1271 5.2823 5.2986 5.5519 5.6139 6.3830 6.4689 6.8139 6.9784 7.0222 7.1453 8.6926 8.7072 10.0278 10.0614 10.1086 10.1362 13.7096 13.7687 14.1200 14.1852 k = 0.0982-0.0982 0.0982 ( 4103 PWs) bands (ev): -5.5306 -5.5301 -4.7465 -4.7455 2.4820 2.5585 2.7998 2.8074 3.0947 3.1702 3.3450 3.3671 3.4824 3.5125 3.5527 3.5939 3.6611 3.7653 3.7904 3.8854 3.9194 4.0173 4.1366 4.2801 4.3071 4.3736 4.4578 4.5311 4.6013 4.6828 4.7463 4.8071 4.8234 4.8962 5.0446 5.1269 5.2812 5.2991 5.6006 5.6694 6.3310 6.4182 6.8068 6.9856 7.0262 7.1605 8.7913 8.8059 10.0870 10.1244 10.1726 10.2017 13.5865 13.6445 13.9964 14.0612 k = 0.1071-0.1071 0.1071 ( 4112 PWs) bands (ev): -5.5187 -5.5182 -4.7475 -4.7464 2.4476 2.5261 2.7835 2.7941 3.1134 3.1840 3.3219 3.3451 3.4750 3.5072 3.5429 3.5846 3.6566 3.7561 3.7943 3.8812 3.9103 4.0165 4.1292 4.2778 4.3012 4.3756 4.4557 4.5248 4.5992 4.6781 4.7419 4.8062 4.8216 4.8922 5.0473 5.1273 5.2803 5.2993 5.6464 5.7232 6.2814 6.3724 6.8014 6.9901 7.0338 7.1763 8.8920 8.9069 10.1510 10.1924 10.2406 10.2709 13.4658 13.5225 13.8743 13.9381 k = 0.1161-0.1161 0.1161 ( 4112 PWs) bands (ev): -5.5059 -5.5053 -4.7484 -4.7473 2.4130 2.4931 2.7655 2.7800 3.1304 3.1956 3.2985 3.3239 3.4663 3.5018 3.5338 3.5755 3.6519 3.7461 3.7998 3.8734 3.9051 4.0148 4.1227 4.2744 4.2967 4.3775 4.4536 4.5186 4.5968 4.6732 4.7378 4.8039 4.8206 4.8875 5.0506 5.1283 5.2795 5.2995 5.6875 5.7727 6.2359 6.3347 6.7972 6.9914 7.0448 7.1926 8.9943 9.0097 10.2193 10.2650 10.3125 10.3435 13.3483 13.4034 13.7550 13.8170 k = 0.1250-0.1250 0.1250 ( 4118 PWs) bands (ev): -5.4923 -5.4917 -4.7494 -4.7482 2.3781 2.4595 2.7464 2.7644 3.1447 3.2039 3.2755 3.3048 3.4564 3.4967 3.5253 3.5670 3.6469 3.7370 3.8050 3.8628 3.9035 4.0123 4.1170 4.2698 4.2938 4.3792 4.4516 4.5126 4.5940 4.6681 4.7336 4.8000 4.8208 4.8825 5.0540 5.1302 5.2790 5.2996 5.7216 5.8146 6.1969 6.3089 6.7940 6.9901 7.0582 7.2092 9.0976 9.1139 10.2916 10.3419 10.3878 10.4189 13.2344 13.2878 13.6394 13.6987 k = 0.1339-0.1339 0.1339 ( 4118 PWs) bands (ev): -5.4780 -5.4773 -4.7503 -4.7491 2.3430 2.4254 2.7262 2.7472 3.1542 3.2077 3.2547 3.2899 3.4458 3.4918 3.5173 3.5594 3.6419 3.7292 3.8094 3.8513 3.9037 4.0092 4.1120 4.2643 4.2923 4.3805 4.4499 4.5069 4.5909 4.6627 4.7291 4.7947 4.8217 4.8775 5.0571 5.1329 5.2786 5.3000 5.7459 5.8446 6.1673 6.2989 6.7915 6.9869 7.0729 7.2263 9.2017 9.2192 10.3674 10.4223 10.4663 10.4969 13.1248 13.1760 13.5280 13.5835 k = 0.1429-0.1429 0.1429 ( 4118 PWs) bands (ev): -5.4630 -5.4622 -4.7512 -4.7499 2.3079 2.3911 2.7050 2.7285 3.1558 3.2041 3.2402 3.2812 3.4350 3.4866 3.5099 3.5527 3.6370 3.7227 3.8120 3.8408 3.9048 4.0057 4.1080 4.2583 4.2918 4.3813 4.4486 4.5014 4.5875 4.6570 4.7240 4.7883 4.8231 4.8728 5.0599 5.1361 5.2783 5.3004 5.7577 5.8592 6.1506 6.3069 6.7895 6.9822 7.0880 7.2437 9.3059 9.3252 10.4464 10.5058 10.5478 10.5773 13.0196 13.0683 13.4212 13.4713 k = 0.1518-0.1518 0.1518 ( 4121 PWs) bands (ev): -5.4474 -5.4465 -4.7520 -4.7507 2.2728 2.3565 2.6828 2.7082 3.1475 3.1905 3.2375 3.2785 3.4243 3.4805 3.5033 3.5467 3.6324 3.7174 3.8104 3.8341 3.9064 4.0019 4.1048 4.2522 4.2920 4.3812 4.4481 4.4962 4.5839 4.6512 4.7183 4.7812 4.8246 4.8686 5.0622 5.1396 5.2781 5.3010 5.7566 5.8572 6.1490 6.3314 6.7881 6.9762 7.1032 7.2616 9.4100 9.4315 10.5279 10.5915 10.6320 10.6598 12.9189 12.9647 13.3189 13.3615 k = 0.1607-0.1607 0.1607 ( 4121 PWs) bands (ev): -5.4312 -5.4303 -4.7527 -4.7515 2.2378 2.3218 2.6596 2.6864 3.1316 3.1711 3.2430 3.2791 3.4142 3.4731 3.4978 3.5411 3.6284 3.7131 3.8034 3.8327 3.9082 3.9981 4.1027 4.2463 4.2928 4.3802 4.4486 4.4911 4.5802 4.6453 4.7118 4.7736 4.8254 4.8654 5.0641 5.1430 5.2780 5.3017 5.7447 5.8415 6.1608 6.3683 6.7872 6.9692 7.1180 7.2801 9.5133 9.5380 10.6114 10.6785 10.7183 10.7446 12.8226 12.8649 13.2200 13.2527 k = 0.1696-0.1696 0.1696 ( 4121 PWs) bands (ev): -5.4145 -5.4135 -4.7534 -4.7521 2.2031 2.2872 2.6355 2.6632 3.1118 3.1500 3.2510 3.2810 3.4047 3.4642 3.4932 3.5356 3.6255 3.7095 3.7939 3.8343 3.9103 3.9947 4.1019 4.2406 4.2939 4.3782 4.4501 4.4863 4.5765 4.6391 4.7048 4.7657 4.8250 4.8636 5.0657 5.1460 5.2778 5.3025 5.7253 5.8170 6.1812 6.4122 6.7869 6.9612 7.1324 7.2993 9.6154 9.6441 10.6961 10.7658 10.8060 10.8322 12.7297 12.7682 13.1202 13.1443 k = 0.1786-0.1786 0.1786 ( 4127 PWs) bands (ev): -5.3973 -5.3962 -4.7539 -4.7526 2.1688 2.2528 2.6106 2.6387 3.0905 3.1288 3.2589 3.2834 3.3960 3.4541 3.4890 3.5298 3.6240 3.7065 3.7841 3.8366 3.9125 3.9919 4.1022 4.2352 4.2954 4.3753 4.4526 4.4817 4.5728 4.6326 4.6975 4.7577 4.8229 4.8636 5.0669 5.1482 5.2777 5.3031 5.7014 5.7879 6.2056 6.4585 6.7876 6.9527 7.1462 7.3194 9.7159 9.7494 10.7814 10.8522 10.8942 10.9230 12.6389 12.6731 13.0111 13.0391 k = 0.1875-0.1875 0.1875 ( 4124 PWs) bands (ev): -5.3797 -5.3786 -4.7543 -4.7530 2.1349 2.2187 2.5850 2.6131 3.0687 3.1080 3.2649 3.2863 3.3881 3.4430 3.4851 3.5238 3.6240 3.7038 3.7752 3.8392 3.9148 3.9902 4.1039 4.2303 4.2972 4.3719 4.4557 4.4775 4.5692 4.6258 4.6901 4.7497 4.8191 4.8651 5.0680 5.1494 5.2775 5.3035 5.6755 5.7571 6.2305 6.5030 6.7895 6.9439 7.1595 7.3405 9.8140 9.8535 10.8662 10.9367 10.9827 11.0167 12.5472 12.5777 12.8978 12.9353 k = 0.1964-0.1964 0.1964 ( 4124 PWs) bands (ev): -5.3619 -5.3607 -4.7545 -4.7533 2.1016 2.1852 2.5587 2.5866 3.0470 3.0879 3.2678 3.2902 3.3811 3.4312 3.4811 3.5175 3.6254 3.7013 3.7676 3.8419 3.9172 3.9896 4.1069 4.2259 4.2994 4.3680 4.4592 4.4737 4.5657 4.6184 4.6831 4.7417 4.8141 4.8675 5.0688 5.1495 5.2773 5.3036 5.6490 5.7260 6.2536 6.5419 6.7934 6.9354 7.1726 7.3626 9.9093 9.9558 10.9497 11.0178 11.0715 11.1123 12.4516 12.4801 12.7949 12.8360 k = 0.2054-0.2054 0.2054 ( 4106 PWs) bands (ev): -5.3438 -5.3425 -4.7546 -4.7534 2.0692 2.1523 2.5321 2.5593 3.0255 3.0685 3.2672 3.2943 3.3749 3.4196 3.4770 3.5114 3.6281 3.6989 3.7616 3.8448 3.9199 3.9903 4.1113 4.2221 4.3017 4.3641 4.4626 4.4709 4.5624 4.6106 4.6766 4.7337 4.8083 4.8704 5.0694 5.1484 5.2770 5.3032 5.6227 5.6955 6.2733 6.5717 6.7995 6.9280 7.1860 7.3857 10.0013 10.0555 11.0306 11.0947 11.1608 11.2082 12.3501 12.3799 12.7115 12.7499 k = 0.2143-0.2143 0.2143 ( 4118 PWs) bands (ev): -5.3255 -5.3241 -4.7546 -4.7533 2.0375 2.1201 2.5050 2.5314 3.0041 3.0497 3.2636 3.2970 3.3693 3.4094 3.4727 3.5059 3.6317 3.6966 3.7574 3.8476 3.9228 3.9921 4.1170 4.2186 4.3042 4.3602 4.4639 4.4707 4.5592 4.6022 4.6708 4.7259 4.8020 4.8733 5.0696 5.1460 5.2764 5.3022 5.5971 5.6660 6.2889 6.5901 6.8070 6.9221 7.2004 7.4093 10.0892 10.1519 11.1078 11.1663 11.2498 11.3026 12.2451 12.2796 12.6504 12.6818 k = 0.2232-0.2232 0.2232 ( 4124 PWs) bands (ev): -5.3072 -5.3057 -4.7543 -4.7530 2.0069 2.0889 2.4777 2.5031 2.9828 3.0314 3.2574 3.2966 3.3644 3.4023 3.4681 3.5018 3.6359 3.6948 3.7550 3.8506 3.9261 3.9947 4.1241 4.2157 4.3066 4.3566 4.4627 4.4735 4.5559 4.5935 4.6658 4.7183 4.7954 4.8760 5.0694 5.1424 5.2756 5.3005 5.5724 5.6378 6.2998 6.5967 6.8137 6.9184 7.2166 7.4332 10.1724 10.2440 11.1801 11.2317 11.3370 11.3933 12.1427 12.1834 12.6100 12.6325 k = 0.2321-0.2321 0.2321 ( 4130 PWs) bands (ev): -5.2888 -5.2872 -4.7539 -4.7526 1.9775 2.0587 2.4503 2.4746 2.9612 3.0132 3.2492 3.2915 3.3610 3.3995 3.4633 3.4994 3.6404 3.6936 3.7540 3.8536 3.9298 3.9980 4.1325 4.2132 4.3088 4.3534 4.4612 4.4772 4.5525 4.5849 4.6614 4.7111 4.7888 4.8783 5.0687 5.1377 5.2743 5.2979 5.5486 5.6110 6.3061 6.5928 6.8171 6.9161 7.2350 7.4565 10.2503 10.3307 11.2464 11.2898 11.4201 11.4773 12.0502 12.0973 12.5867 12.6029 k = 0.2411-0.2411 0.2411 ( 4133 PWs) bands (ev): -5.2704 -5.2688 -4.7533 -4.7520 1.9493 2.0298 2.4229 2.4460 2.9392 2.9948 3.2393 3.2818 3.3601 3.4006 3.4587 3.4988 3.6451 3.6934 3.7544 3.8567 3.9339 4.0019 4.1421 4.2112 4.3107 4.3509 4.4604 4.4810 4.5485 4.5769 4.6576 4.7044 4.7823 4.8801 5.0676 5.1319 5.2726 5.2946 5.5257 5.5855 6.3078 6.5806 6.8160 6.9133 7.2553 7.4785 10.3221 10.4108 11.3055 11.3394 11.4959 11.5495 11.9757 12.0286 12.5750 12.5955 k = 0.2500-0.2500 0.2500 ( 4121 PWs) bands (ev): -5.2522 -5.2504 -4.7524 -4.7512 1.9225 2.0023 2.3957 2.4174 2.9163 2.9756 3.2285 3.2690 3.3613 3.4049 3.4550 3.4999 3.6498 3.6942 3.7558 3.8598 3.9385 4.0060 4.1528 4.2096 4.3121 4.3492 4.4602 4.4849 4.5434 4.5703 4.6542 4.6986 4.7759 4.8814 5.0658 5.1251 5.2703 5.2903 5.5034 5.5612 6.3053 6.5620 6.8108 6.9079 7.2765 7.4980 10.3874 10.4828 11.3555 11.3799 11.5591 11.6028 11.9289 11.9856 12.5749 12.6083 k = 0.2589-0.2589 0.2589 ( 4134 PWs) bands (ev): -5.2341 -5.2323 -4.7514 -4.7502 1.8972 1.9762 2.3688 2.3890 2.8920 2.9550 3.2177 3.2552 3.3642 3.4115 3.4525 3.5025 3.6545 3.6962 3.7580 3.8628 3.9432 4.0104 4.1641 4.2084 4.3127 4.3482 4.4607 4.4891 4.5370 4.5652 4.6510 4.6937 4.7696 4.8819 5.0632 5.1174 5.2673 5.2851 5.4814 5.5381 6.2991 6.5383 6.8021 6.8984 7.2967 7.5138 10.4458 10.5456 11.3910 11.4148 11.6030 11.6338 11.9178 11.9757 12.5881 12.6371 k = 0.2679-0.2679 0.2679 ( 4134 PWs) bands (ev): -5.2163 -5.2144 -4.7502 -4.7490 1.8736 1.9517 2.3422 2.3610 2.8661 2.9325 3.2077 3.2421 3.3683 3.4198 3.4514 3.5063 3.6593 3.6993 3.7607 3.8658 3.9482 4.0149 4.1757 4.2080 4.3129 4.3478 4.4616 4.4937 4.5296 4.5616 4.6481 4.6900 4.7635 4.8818 5.0599 5.1090 5.2635 5.2789 5.4597 5.5160 6.2897 6.5109 6.7905 6.8844 7.3140 7.5248 10.4974 10.5986 11.4071 11.4490 11.6208 11.6573 11.9388 11.9970 12.6146 12.6783 k = 0.2768-0.2768 0.2768 ( 4140 PWs) bands (ev): -5.1987 -5.1968 -4.7488 -4.7476 1.8516 1.9289 2.3161 2.3333 2.8384 2.9076 3.1995 3.2310 3.3734 3.4293 3.4520 3.5112 3.6641 3.7036 3.7639 3.8688 3.9533 4.0194 4.1866 4.2086 4.3127 4.3478 4.4627 4.4990 4.5219 4.5589 4.6453 4.6874 4.7576 4.8809 5.0556 5.1000 5.2587 5.2716 5.4379 5.4947 6.2777 6.4807 6.7765 6.8659 7.3265 7.5297 10.5430 10.6423 11.4109 11.4783 11.6263 11.6827 11.9794 12.0381 12.6535 12.7270 k = 0.2857-0.2857 0.2857 ( 4134 PWs) bands (ev): -5.1816 -5.1796 -4.7473 -4.7460 1.8315 1.9079 2.2906 2.3062 2.8086 2.8802 3.1938 3.2227 3.3792 3.4394 3.4543 3.5173 3.6693 3.7089 3.7674 3.8718 3.9585 4.0241 4.1951 4.2119 4.3124 4.3480 4.4635 4.5042 4.5154 4.5569 4.6429 4.6859 4.7520 4.8793 5.0502 5.0905 5.2528 5.2634 5.4158 5.4740 6.2635 6.4486 6.7602 6.8436 7.3326 7.5276 10.5840 10.6784 11.4101 11.4994 11.6381 11.7096 12.0289 12.0883 12.7030 12.7779 k = 0.2946-0.2946 0.2946 ( 4134 PWs) bands (ev): -5.1648 -5.1628 -4.7455 -4.7443 1.8133 1.8888 2.2657 2.2797 2.7768 2.8502 3.1908 3.2175 3.3858 3.4494 3.4590 3.5243 3.6746 3.7152 3.7710 3.8747 3.9638 4.0287 4.1993 4.2193 4.3123 4.3483 4.4638 4.5035 4.5165 4.5554 4.6408 4.6853 4.7466 4.8769 5.0438 5.0807 5.2456 5.2542 5.3935 5.4536 6.2476 6.4154 6.7419 6.8178 7.3309 7.5177 10.6225 10.7097 11.4096 11.5120 11.6615 11.7384 12.0823 12.1425 12.7606 12.8295 k = 0.3036-0.3036 0.3036 ( 4140 PWs) bands (ev): -5.1485 -5.1464 -4.7437 -4.7424 1.7970 1.8715 2.2415 2.2539 2.7431 2.8178 3.1908 3.2160 3.3930 3.4575 3.4674 3.5322 3.6804 3.7223 3.7747 3.8776 3.9692 4.0334 4.2010 4.2284 4.3126 4.3486 4.4631 4.4985 4.5232 4.5549 4.6392 4.6855 4.7416 4.8738 5.0361 5.0705 5.2365 5.2443 5.3709 5.4331 6.2306 6.3817 6.7217 6.7891 7.3208 7.4995 10.6608 10.7396 11.4115 11.5191 11.6940 11.7689 12.1379 12.1993 12.8230 12.8846 k = 0.3125-0.3125 0.3125 ( 4140 PWs) bands (ev): -5.1327 -5.1306 -4.7416 -4.7404 1.7827 1.8563 2.2180 2.2288 2.7077 2.7833 3.1938 3.2181 3.4008 3.4644 3.4788 3.5409 3.6864 3.7303 3.7786 3.8806 3.9747 4.0381 4.2020 4.2373 4.3133 4.3491 4.4609 4.4947 4.5292 4.5569 4.6381 4.6863 4.7368 4.8699 5.0273 5.0602 5.2255 5.2335 5.3480 5.4124 6.2127 6.3485 6.6999 6.7582 7.3018 7.4729 10.7014 10.7715 11.4163 11.5235 11.7310 11.8008 12.1959 12.2588 12.8869 12.9456 k = 0.3214-0.3214 0.3214 ( 4140 PWs) bands (ev): -5.1174 -5.1154 -4.7395 -4.7383 1.7705 1.8432 2.1954 2.2045 2.6710 2.7471 3.1994 3.2238 3.4091 3.4717 3.4913 3.5503 3.6929 3.7391 3.7826 3.8838 3.9803 4.0429 4.2028 4.2450 4.3143 4.3499 4.4570 4.4929 4.5322 4.5629 4.6375 4.6875 4.7324 4.8651 5.0174 5.0496 5.2125 5.2217 5.3250 5.3911 6.1944 6.3163 6.6767 6.7254 7.2741 7.4381 10.7460 10.8078 11.4236 11.5270 11.7687 11.8336 12.2572 12.3215 12.9505 13.0124 k = 0.3304-0.3304 0.3304 ( 4131 PWs) bands (ev): -5.1027 -5.1007 -4.7373 -4.7361 1.7604 1.8321 2.1737 2.1811 2.6331 2.7096 3.2077 3.2330 3.4179 3.4798 3.5043 3.5603 3.6997 3.7485 3.7869 3.8874 3.9863 4.0478 4.2037 4.2515 4.3154 4.3509 4.4517 4.4932 4.5325 4.5718 4.6374 4.6890 4.7285 4.8597 5.0065 5.0388 5.1977 5.2083 5.3022 5.3691 6.1760 6.2859 6.6524 6.6913 7.2382 7.3956 10.7960 10.8503 11.4327 11.5305 11.8049 11.8668 12.3223 12.3883 13.0137 13.0827 k = 0.3393-0.3393 0.3393 ( 4128 PWs) bands (ev): -5.0887 -5.0867 -4.7350 -4.7339 1.7524 1.8231 2.1529 2.1586 2.5944 2.6712 3.2183 3.2454 3.4271 3.4887 3.5174 3.5708 3.7069 3.7585 3.7915 3.8913 3.9926 4.0529 4.2045 4.2569 4.3163 4.3523 4.4456 4.4949 4.5317 4.5817 4.6378 4.6906 4.7253 4.8535 4.9948 5.0276 5.1812 5.1930 5.2796 5.3460 6.1577 6.2578 6.6271 6.6563 7.1948 7.3463 10.8520 10.8998 11.4432 11.5343 11.8388 11.8997 12.3914 12.4595 13.0769 13.1540 k = 0.3482-0.3482 0.3482 ( 4140 PWs) bands (ev): -5.0753 -5.0733 -4.7326 -4.7316 1.7465 1.8161 2.1330 2.1372 2.5552 2.6321 3.2312 3.2607 3.4366 3.4983 3.5306 3.5815 3.7144 3.7687 3.7965 3.8958 3.9992 4.0582 4.2053 4.2614 4.3169 4.3538 4.4391 4.4973 4.5310 4.5908 4.6388 4.6921 4.7228 4.8466 4.9823 5.0159 5.1629 5.1756 5.2576 5.3216 6.1398 6.2327 6.6010 6.6209 7.1449 7.2912 10.9138 10.9564 11.4548 11.5388 11.8703 11.9314 12.4640 12.5352 13.1405 13.2246 k = 0.3571-0.3571 0.3571 ( 4140 PWs) bands (ev): -5.0625 -5.0606 -4.7303 -4.7293 1.7427 1.8113 2.1140 2.1170 2.5157 2.5927 3.2462 3.2788 3.4463 3.5085 3.5436 3.5923 3.7224 3.7790 3.8023 3.9010 4.0065 4.0639 4.2061 4.2655 4.3172 4.3554 4.4324 4.4997 4.5310 4.5979 4.6408 4.6935 4.7215 4.8393 4.9693 5.0037 5.1430 5.1561 5.2364 5.2960 6.1227 6.2109 6.5743 6.5858 7.0898 7.2314 10.9808 11.0196 11.4675 11.5444 11.8996 11.9615 12.5396 12.6153 13.2042 13.2935 k = 0.3661-0.3661 0.3661 ( 4134 PWs) bands (ev): -5.0504 -5.0486 -4.7280 -4.7270 1.7411 1.8086 2.0954 2.0984 2.4761 2.5532 3.2630 3.2991 3.4562 3.5193 3.5565 3.6029 3.7308 3.7890 3.8095 3.9070 4.0144 4.0700 4.2067 4.2693 4.3171 4.3569 4.4257 4.5015 4.5321 4.6019 4.6437 4.6943 4.7217 4.8315 4.9557 4.9910 5.1215 5.1348 5.2160 5.2691 6.1070 6.1926 6.5459 6.5527 7.0306 7.1680 11.0516 11.0883 11.4817 11.5517 11.9272 11.9897 12.6174 12.6994 13.2679 13.3603 k = 0.3750-0.3750 0.3750 ( 4155 PWs) bands (ev): -5.0390 -5.0373 -4.7257 -4.7248 1.7416 1.8078 2.0773 2.0816 2.4366 2.5138 3.2814 3.3213 3.4661 3.5303 3.5690 3.6131 3.7397 3.7979 3.8185 3.9140 4.0229 4.0767 4.2072 4.2730 4.3165 4.3582 4.4191 4.5022 4.5341 4.6028 4.6469 4.6942 4.7235 4.8236 4.9414 4.9779 5.0987 5.1119 5.1961 5.2409 6.0930 6.1778 6.5135 6.5242 6.9686 7.1023 11.1242 11.1607 11.4982 11.5616 11.9532 12.0160 12.6969 12.7866 13.3312 13.4248 k = 0.3839-0.3839 0.3839 ( 4146 PWs) bands (ev): -5.0283 -5.0267 -4.7235 -4.7226 1.7441 1.8091 2.0599 2.0663 2.3975 2.4748 3.3012 3.3451 3.4762 3.5415 3.5811 3.6228 3.7490 3.8057 3.8299 3.9221 4.0321 4.0843 4.2076 4.2770 4.3156 4.3595 4.4126 4.5021 4.5365 4.6012 4.6499 4.6930 4.7270 4.8159 4.9263 4.9645 5.0749 5.0880 5.1768 5.2120 6.0814 6.1663 6.4805 6.4981 6.9048 7.0353 11.1960 11.2339 11.5184 11.5758 11.9778 12.0406 12.7775 12.8762 13.3939 13.4872 k = 0.3929-0.3929 0.3929 ( 4146 PWs) bands (ev): -5.0184 -5.0168 -4.7213 -4.7206 1.7487 1.8122 2.0436 2.0523 2.3587 2.4362 3.3219 3.3698 3.4864 3.5526 3.5927 3.6317 3.7588 3.8126 3.8432 3.9315 4.0420 4.0927 4.2080 4.2811 4.3145 4.3608 4.4063 4.5013 4.5384 4.5973 4.6519 4.6906 4.7313 4.8087 4.9101 4.9511 5.0507 5.0635 5.1575 5.1828 6.0725 6.1581 6.4484 6.4729 6.8404 6.9679 11.2633 11.3037 11.5451 11.5972 12.0011 12.0636 12.8588 12.9675 13.4556 13.5475 k = 0.4018-0.4018 0.4018 ( 4149 PWs) bands (ev): -5.0091 -5.0077 -4.7193 -4.7186 1.7553 1.8172 2.0283 2.0397 2.3206 2.3982 3.3432 3.3949 3.4968 3.5636 3.6036 3.6395 3.7690 3.8190 3.8582 3.9421 4.0524 4.1022 4.2083 4.2853 4.3131 4.3623 4.4003 4.4996 4.5393 4.5917 4.6529 4.6869 4.7355 4.8023 4.8926 4.9380 5.0267 5.0391 5.1372 5.1549 6.0667 6.1528 6.4180 6.4489 6.7762 6.9012 11.3214 11.3641 11.5818 11.6297 12.0232 12.0851 12.9405 13.0597 13.5158 13.6058 k = 0.4107-0.4107 0.4107 ( 4155 PWs) bands (ev): -5.0007 -4.9994 -4.7175 -4.7168 1.7638 1.8240 2.0140 2.0286 2.2832 2.3610 3.3648 3.4195 3.5078 3.5741 3.6137 3.6462 3.7796 3.8251 3.8746 3.9544 4.0631 4.1126 4.2087 4.2889 4.3122 4.3639 4.3949 4.4971 4.5388 4.5846 4.6526 4.6822 4.7382 4.7966 4.8743 4.9249 5.0037 5.0154 5.1135 5.1313 6.0642 6.1504 6.3894 6.4261 6.7131 6.8359 11.3670 11.4097 11.6313 11.6762 12.0442 12.1053 13.0224 13.1522 13.5742 13.6621 k = 0.4196-0.4196 0.4196 ( 4155 PWs) bands (ev): -4.9929 -4.9918 -4.7158 -4.7152 1.7742 1.8323 2.0009 2.0190 2.2466 2.3247 3.3862 3.4426 3.5197 3.5841 3.6230 3.6518 3.7905 3.8310 3.8924 3.9684 4.0741 4.1235 4.2094 4.2908 4.3129 4.3656 4.3903 4.4932 4.5370 4.5761 4.6509 4.6767 4.7383 4.7910 4.8564 4.9119 4.9824 4.9930 5.0870 5.1122 6.0652 6.1508 6.3629 6.4050 6.6518 6.7727 11.4000 11.4399 11.6920 11.7356 12.0641 12.1244 13.1043 13.2446 13.6300 13.7164 k = 0.4286-0.4286 0.4286 ( 4164 PWs) bands (ev): -4.9860 -4.9849 -4.7142 -4.7137 1.7864 1.8419 1.9889 2.0110 2.2110 2.2894 3.4069 3.4628 3.5331 3.5936 3.6312 3.6562 3.8015 3.8364 3.9114 3.9843 4.0851 4.1346 4.2103 4.2896 4.3163 4.3673 4.3873 4.4878 4.5338 4.5667 4.6474 4.6708 4.7348 4.7835 4.8415 4.8987 4.9636 4.9725 5.0608 5.0954 6.0696 6.1538 6.3388 6.3857 6.5928 6.7121 11.4232 11.4588 11.7585 11.8025 12.0832 12.1425 13.1862 13.3366 13.6826 13.7685 k = 0.4375-0.4375 0.4375 ( 4158 PWs) bands (ev): -4.9798 -4.9789 -4.7128 -4.7123 1.8004 1.8528 1.9779 2.0049 2.1765 2.2553 3.4266 3.4792 3.5485 3.6025 3.6383 3.6595 3.8124 3.8416 3.9316 4.0024 4.0963 4.1448 4.2116 4.2857 4.3220 4.3685 4.3868 4.4806 4.5288 4.5571 4.6418 4.6645 4.7273 4.7716 4.8326 4.8857 4.9474 4.9546 5.0373 5.0800 6.0775 6.1592 6.3172 6.3686 6.5364 6.6547 11.4398 11.4708 11.8254 11.8707 12.1020 12.1600 13.2682 13.4281 13.7311 13.8178 k = 0.4464-0.4464 0.4464 ( 4158 PWs) bands (ev): -4.9744 -4.9736 -4.7116 -4.7112 1.8158 1.8644 1.9681 2.0007 2.1433 2.2224 3.4447 3.4915 3.5654 3.6108 3.6441 3.6616 3.8227 3.8462 3.9530 4.0224 4.1073 4.1533 4.2130 4.2800 4.3289 4.3693 4.3894 4.4718 4.5208 4.5488 4.6343 4.6576 4.7163 4.7552 4.8301 4.8741 4.9329 4.9391 5.0179 5.0657 6.0889 6.1667 6.2981 6.3541 6.4832 6.6008 11.4522 11.4784 11.8885 11.9346 12.1213 12.1770 13.3502 13.5188 13.7744 13.8640 k = 0.4554-0.4554 0.4554 ( 4152 PWs) bands (ev): -4.9698 -4.9692 -4.7106 -4.7102 1.8327 1.8764 1.9593 1.9987 2.1119 2.1909 3.4610 3.5003 3.5825 3.6184 3.6486 3.6626 3.8319 3.8503 3.9758 4.0438 4.1178 4.1591 4.2141 4.2732 4.3363 4.3703 4.3951 4.4621 4.5095 4.5425 4.6250 4.6499 4.7035 4.7367 4.8318 4.8652 4.9193 4.9254 5.0039 5.0524 6.1036 6.1762 6.2815 6.3427 6.4332 6.5507 11.4616 11.4832 11.9446 11.9893 12.1424 12.1937 13.4321 13.6086 13.8115 13.9065 k = 0.4643-0.4643 0.4643 ( 4164 PWs) bands (ev): -4.9660 -4.9655 -4.7097 -4.7094 1.8507 1.8883 1.9515 1.9984 2.0831 2.1610 3.4751 3.5062 3.5988 3.6254 3.6518 3.6626 3.8397 3.8537 4.0000 4.0653 4.1271 4.1614 4.2146 4.2659 4.3436 4.3718 4.4028 4.4526 4.4961 4.5369 4.6146 4.6412 4.6910 4.7181 4.8361 4.8597 4.9066 4.9123 4.9956 5.0401 6.1216 6.1869 6.2673 6.3344 6.3874 6.5048 11.4690 11.4862 11.9915 12.0310 12.1663 12.2100 13.5133 13.6968 13.8408 13.9447 k = 0.4732-0.4732 0.4732 ( 4170 PWs) bands (ev): -4.9631 -4.9627 -4.7091 -4.7089 1.8692 1.8995 1.9452 1.9984 2.0593 2.1330 3.4868 3.5097 3.6132 3.6315 3.6535 3.6617 3.8460 3.8561 4.0252 4.0853 4.1346 4.1594 4.2151 4.2587 4.3509 4.3738 4.4102 4.4449 4.4839 4.5306 4.6049 4.6311 4.6807 4.7016 4.8420 4.8576 4.8950 4.8995 4.9924 5.0289 6.1428 6.1982 6.2554 6.3249 6.3509 6.4633 11.4749 11.4877 12.0278 12.0585 12.1919 12.2251 13.5929 13.7795 13.8633 13.9788 k = 0.4821-0.4821 0.4821 ( 4194 PWs) bands (ev): -4.9609 -4.9607 -4.7086 -4.7084 1.8868 1.9091 1.9413 1.9925 2.0469 2.1071 3.4962 3.5112 3.6251 3.6366 3.6540 3.6597 3.8508 3.8574 4.0508 4.1011 4.1387 4.1531 4.2177 4.2510 4.3583 4.3757 4.4138 4.4387 4.4786 4.5221 4.5980 4.6197 4.6742 4.6886 4.8490 4.8583 4.8845 4.8875 4.9930 5.0187 6.1672 6.2091 6.2452 6.2956 6.3437 6.4268 11.4795 11.4880 12.0538 12.0739 12.2156 12.2370 13.6684 13.8312 13.9002 14.0089 k = 0.4911-0.4911 0.4911 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.9013 1.9140 1.9446 1.9769 2.0506 2.0840 3.5032 3.5106 3.6341 3.6397 3.6539 3.6571 3.8542 3.8575 4.0753 4.1068 4.1393 4.1463 4.2238 4.2422 4.3656 4.3756 4.4158 4.4301 4.4847 4.5107 4.5961 4.6084 4.6720 4.6794 4.8570 4.8616 4.8753 4.8766 4.9966 5.0098 6.1946 6.2190 6.2362 6.2602 6.3530 6.3956 11.4830 11.4873 12.0705 12.0803 12.2333 12.2436 13.7361 13.8257 13.9721 14.0357 k = 0.5000-0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.4846 0.5000 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.8976 1.9196 1.9439 1.9763 2.0519 2.0818 3.5016 3.5124 3.6328 3.6418 3.6537 3.6565 3.8544 3.8573 4.0767 4.1067 4.1356 4.1489 4.2234 4.2433 4.3621 4.3795 4.4161 4.4291 4.4863 4.5091 4.5909 4.6132 4.6717 4.6785 4.8568 4.8641 4.8717 4.8778 4.9972 5.0102 6.1968 6.2118 6.2402 6.2615 6.3509 6.3973 11.4818 11.4854 12.0681 12.0841 12.2306 12.2480 13.7421 13.8224 13.9785 14.0403 k = 0.5000-0.4692 0.5000 ( 4192 PWs) bands (ev): -4.9609 -4.9606 -4.7086 -4.7084 1.8822 1.9187 1.9389 1.9938 2.0468 2.1027 3.4934 3.5150 3.6243 3.6389 3.6532 3.6589 3.8512 3.8569 4.0536 4.1024 4.1315 4.1574 4.2179 4.2524 4.3520 4.3829 4.4162 4.4365 4.4799 4.5192 4.5858 4.6316 4.6720 4.6856 4.8489 4.8627 4.8780 4.8895 4.9950 5.0205 6.1695 6.1962 6.2566 6.2959 6.3394 6.4293 11.4739 11.4812 12.0512 12.0823 12.2128 12.2465 13.6768 13.8350 13.9035 14.0272 k = 0.5000-0.4538 0.5000 ( 4176 PWs) bands (ev): -4.9630 -4.9626 -4.7090 -4.7089 1.8660 1.9080 1.9428 2.0039 2.0552 2.1267 3.4834 3.5156 3.6142 3.6320 3.6514 3.6618 3.8467 3.8548 4.0291 4.0877 4.1259 4.1657 4.2162 4.2585 4.3427 4.3829 4.4192 4.4407 4.4818 4.5261 4.5835 4.6544 4.6747 4.6956 4.8426 4.8623 4.8870 4.9021 4.9961 5.0331 6.1445 6.1801 6.2749 6.3270 6.3417 6.4654 11.4616 11.4726 12.0278 12.0717 12.1919 12.2389 13.5974 13.7880 13.8685 14.0221 k = 0.5000-0.4385 0.5000 ( 4160 PWs) bands (ev): -4.9659 -4.9654 -4.7097 -4.7094 1.8501 1.8955 1.9480 2.0055 2.0774 2.1532 3.4716 3.5140 3.6028 3.6228 3.6479 3.6643 3.8408 3.8506 4.0048 4.0688 4.1178 4.1713 4.2157 4.2618 4.3351 4.3816 4.4207 4.4441 4.4905 4.5307 4.5828 4.6745 4.6840 4.7096 4.8382 4.8626 4.8993 4.9156 5.0005 5.0480 6.1222 6.1637 6.2956 6.3364 6.3757 6.5049 11.4444 11.4592 11.9969 12.0488 12.1721 12.2268 13.5077 13.6937 13.8667 14.0243 k = 0.5000-0.4231 0.5000 ( 4160 PWs) bands (ev): -4.9696 -4.9689 -4.7105 -4.7102 1.8350 1.8827 1.9531 2.0045 2.1067 2.1821 3.4582 3.5102 3.5903 3.6118 3.6429 3.6659 3.8330 3.8441 3.9820 4.0485 4.1081 4.1729 4.2133 4.2646 4.3294 4.3796 4.4209 4.4495 4.5003 4.5355 4.5826 4.6809 4.7042 4.7305 4.8362 4.8635 4.9157 4.9305 5.0083 5.0652 6.1028 6.1481 6.3187 6.3481 6.4168 6.5471 11.4215 11.4400 11.9579 12.0116 12.1563 12.2118 13.4111 13.5898 13.8649 14.0317 k = 0.5000-0.4077 0.5000 ( 4144 PWs) bands (ev): -4.9739 -4.9732 -4.7115 -4.7111 1.8209 1.8702 1.9580 2.0035 2.1398 2.2130 3.4433 3.5041 3.5768 3.5995 3.6366 3.6664 3.8232 3.8351 3.9617 4.0286 4.0973 4.1706 4.2073 4.2686 4.3254 4.3770 4.4219 4.4562 4.5069 4.5428 4.5826 4.6860 4.7203 4.7563 4.8373 4.8649 4.9361 4.9486 5.0195 5.0855 6.0863 6.1341 6.3437 6.3663 6.4602 6.5916 11.3920 11.4142 11.9104 11.9614 12.1446 12.1958 13.3107 13.4810 13.8616 14.0419 k = 0.5000-0.3923 0.5000 ( 4152 PWs) bands (ev): -4.9789 -4.9781 -4.7126 -4.7121 1.8080 1.8580 1.9628 2.0033 2.1754 2.2456 3.4272 3.4955 3.5624 3.5862 3.6291 3.6655 3.8110 3.8235 3.9448 4.0102 4.0853 4.1645 4.1989 4.2739 4.3227 4.3745 4.4239 4.4634 4.5094 4.5523 4.5827 4.6906 4.7334 4.7795 4.8422 4.8666 4.9564 4.9740 5.0347 5.1098 6.0731 6.1223 6.3701 6.3910 6.5056 6.6379 11.3548 11.3803 11.8548 11.9011 12.1353 12.1801 13.2087 13.3694 13.8573 14.0524 k = 0.5000-0.3769 0.5000 ( 4160 PWs) bands (ev): -4.9846 -4.9837 -4.7138 -4.7133 1.7963 1.8465 1.9676 2.0039 2.2130 2.2798 3.4100 3.4844 3.5474 3.5723 3.6203 3.6629 3.7966 3.8102 3.9312 3.9939 4.0722 4.1549 4.1902 4.2795 4.3214 4.3725 4.4264 4.4709 4.5095 4.5620 4.5837 4.6949 4.7443 4.7958 4.8514 4.8688 4.9748 5.0055 5.0563 5.1399 6.0631 6.1134 6.3980 6.4214 6.5525 6.6857 11.3089 11.3370 11.7922 11.8334 12.1276 12.1657 13.1071 13.2566 13.8527 14.0586 k = 0.5000-0.3615 0.5000 ( 4144 PWs) bands (ev): -4.9908 -4.9898 -4.7152 -4.7147 1.7858 1.8356 1.9725 2.0051 2.2525 2.3154 3.3921 3.4710 3.5317 3.5582 3.6104 3.6581 3.7811 3.7962 3.9206 3.9800 4.0580 4.1422 4.1830 4.2849 4.3216 4.3714 4.4289 4.4781 4.5088 4.5697 4.5864 4.6986 4.7532 4.8058 4.8616 4.8727 4.9921 5.0336 5.0907 5.1772 6.0565 6.1077 6.4281 6.4562 6.6010 6.7347 11.2530 11.2829 11.7235 11.7603 12.1212 12.1532 13.0076 13.1440 13.8481 14.0548 k = 0.5000-0.3462 0.5000 ( 4140 PWs) bands (ev): -4.9975 -4.9964 -4.7167 -4.7161 1.7764 1.8253 1.9774 2.0070 2.2933 2.3520 3.3737 3.4556 3.5153 3.5439 3.5992 3.6503 3.7660 3.7820 3.9119 3.9680 4.0428 4.1272 4.1778 4.2893 4.3233 4.3708 4.4311 4.4838 4.5087 4.5743 4.5916 4.7016 4.7604 4.8121 4.8670 4.8814 5.0080 5.0535 5.1398 5.2224 6.0535 6.1053 6.4606 6.4942 6.6508 6.7847 11.1865 11.2172 11.6496 11.6835 12.1160 12.1430 12.9117 13.0333 13.8439 14.0407 k = 0.5000-0.3308 0.5000 ( 4136 PWs) bands (ev): -5.0046 -5.0035 -4.7183 -4.7177 1.7680 1.8158 1.9824 2.0094 2.3352 2.3895 3.3550 3.4386 3.4984 3.5297 3.5867 3.6388 3.7526 3.7684 3.9046 3.9578 4.0270 4.1114 4.1743 4.2925 4.3264 4.3708 4.4331 4.4867 4.5107 4.5767 4.5984 4.7040 4.7661 4.8165 4.8693 4.8922 5.0225 5.0684 5.1982 5.2753 6.0540 6.1066 6.4955 6.5348 6.7016 6.8352 11.1092 11.1398 11.5700 11.6044 12.1123 12.1353 12.8208 12.9263 13.8403 14.0217 k = 0.5000-0.3154 0.5000 ( 4128 PWs) bands (ev): -5.0121 -5.0109 -4.7199 -4.7193 1.7607 1.8070 1.9874 2.0122 2.3781 2.4276 3.3362 3.4204 3.4810 3.5154 3.5729 3.6237 3.7417 3.7560 3.8981 3.9485 4.0115 4.0956 4.1721 4.2946 4.3304 4.3714 4.4349 4.4864 4.5153 4.5783 4.6053 4.7058 4.7704 4.8197 4.8709 4.9024 5.0355 5.0805 5.2624 5.3349 6.0582 6.1116 6.5325 6.5776 6.7533 6.8862 11.0216 11.0515 11.4845 11.5232 12.1104 12.1302 12.7359 12.8246 13.8374 14.0018 k = 0.5000-0.3000 0.5000 ( 4140 PWs) bands (ev): -5.0198 -5.0186 -4.7217 -4.7210 1.7542 1.7989 1.9926 2.0154 2.4214 2.4660 3.3177 3.4014 3.4633 3.5011 3.5579 3.6055 3.7326 3.7455 3.8922 3.9396 3.9971 4.0803 4.1707 4.2957 4.3348 4.3725 4.4366 4.4842 4.5212 4.5797 4.6119 4.7071 4.7734 4.8217 4.8725 4.9117 5.0473 5.0906 5.3307 5.3998 6.0660 6.1203 6.5710 6.6220 6.8055 6.9371 10.9248 10.9537 11.3929 11.4389 12.1105 12.1280 12.6580 12.7297 13.8354 13.9828 k = 0.5000-0.2846 0.5000 ( 4148 PWs) bands (ev): -5.0278 -5.0265 -4.7235 -4.7228 1.7486 1.7914 1.9977 2.0188 2.4650 2.5044 3.2995 3.3821 3.4456 3.4868 3.5419 3.5853 3.7244 3.7376 3.8865 3.9303 3.9848 4.0659 4.1700 4.2963 4.3389 4.3743 4.4383 4.4815 4.5273 4.5810 4.6180 4.7077 4.7753 4.8224 4.8746 4.9200 5.0580 5.0991 5.4020 5.4691 6.0775 6.1329 6.6108 6.6676 6.8581 6.9878 10.8203 10.8483 11.2955 11.3501 12.1128 12.1284 12.5875 12.6429 13.8342 13.9654 k = 0.5000-0.2692 0.5000 ( 4144 PWs) bands (ev): -5.0359 -5.0346 -4.7253 -4.7246 1.7437 1.7845 2.0030 2.0224 2.5085 2.5426 3.2819 3.3626 3.4281 3.4725 3.5254 3.5640 3.7164 3.7320 3.8811 3.9205 3.9752 4.0524 4.1698 4.2964 4.3422 4.3770 4.4401 4.4789 4.5330 4.5824 4.6238 4.7078 4.7762 4.8214 4.8776 4.9274 5.0679 5.1066 5.4757 5.5418 6.0924 6.1493 6.6514 6.7141 6.9108 7.0380 10.7097 10.7373 11.1927 11.2559 12.1173 12.1316 12.5246 12.5652 13.8338 13.9501 k = 0.5000-0.2538 0.5000 ( 4144 PWs) bands (ev): -5.0440 -5.0427 -4.7271 -4.7264 1.7396 1.7783 2.0082 2.0262 2.5515 2.5802 3.2650 3.3434 3.4110 3.4583 3.5084 3.5426 3.7087 3.7279 3.8756 3.9107 3.9683 4.0400 4.1699 4.2960 4.3442 4.3807 4.4420 4.4769 4.5380 4.5838 4.6292 4.7071 4.7764 4.8187 4.8816 4.9341 5.0770 5.1131 5.5510 5.6169 6.1108 6.1695 6.6923 6.7611 6.9633 7.0873 10.5949 10.6222 11.0849 11.1558 12.1241 12.1372 12.4690 12.4969 13.8341 13.9370 k = 0.5000-0.2385 0.5000 ( 4136 PWs) bands (ev): -5.0521 -5.0508 -4.7289 -4.7282 1.7361 1.7725 2.0133 2.0300 2.5936 2.6169 3.2490 3.3246 3.3945 3.4441 3.4913 3.5217 3.7015 3.7244 3.8699 3.9018 3.9636 4.0286 4.1703 4.2954 4.3447 4.3853 4.4436 4.4762 4.5423 4.5852 4.6344 4.7053 4.7762 4.8142 4.8864 4.9400 5.0854 5.1188 5.6274 5.6939 6.1325 6.1936 6.7334 6.8080 7.0152 7.1354 10.4775 10.5047 10.9732 11.0503 12.1330 12.1453 12.4202 12.4384 13.8352 13.9259 k = 0.5000-0.2231 0.5000 ( 4128 PWs) bands (ev): -5.0601 -5.0588 -4.7308 -4.7301 1.7331 1.7673 2.0185 2.0339 2.6343 2.6525 3.2339 3.3063 3.3787 3.4300 3.4742 3.5019 3.6950 3.7210 3.8640 3.8945 3.9605 4.0182 4.1708 4.2944 4.3440 4.3907 4.4447 4.4769 4.5457 4.5866 4.6393 4.7024 4.7760 4.8084 4.8918 4.9452 5.0932 5.1240 5.7043 5.7719 6.1572 6.2213 6.7740 6.8546 7.0662 7.1819 10.3589 10.3862 10.8584 10.9400 12.1437 12.1555 12.3770 12.3899 13.8369 13.9168 k = 0.5000-0.2077 0.5000 ( 4132 PWs) bands (ev): -5.0679 -5.0667 -4.7325 -4.7319 1.7307 1.7626 2.0235 2.0377 2.6730 2.6867 3.2198 3.2886 3.3638 3.4160 3.4574 3.4835 3.6889 3.7173 3.8583 3.8891 3.9585 4.0089 4.1716 4.2929 4.3423 4.3964 4.4453 4.4792 4.5483 4.5877 4.6438 4.6982 4.7760 4.8015 4.8976 4.9497 5.1005 5.1287 5.7809 5.8503 6.1848 6.2526 6.8141 6.9003 7.1160 7.2267 10.2406 10.2679 10.7418 10.8262 12.1556 12.1676 12.3385 12.3518 13.8390 13.9094 k = 0.5000-0.1923 0.5000 ( 4140 PWs) bands (ev): -5.0755 -5.0743 -4.7343 -4.7336 1.7287 1.7582 2.0283 2.0414 2.7093 2.7195 3.2069 3.2718 3.3499 3.4022 3.4411 3.4669 3.6834 3.7134 3.8535 3.8852 3.9572 4.0007 4.1724 4.2910 4.3401 4.4020 4.4456 4.4830 4.5501 4.5887 4.6478 4.6927 4.7761 4.7939 4.9036 4.9536 5.1073 5.1330 5.8566 5.9283 6.2151 6.2873 6.8532 6.9448 7.1643 7.2692 10.1239 10.1510 10.6246 10.7104 12.1674 12.1814 12.3054 12.3225 13.8416 13.9036 k = 0.5000-0.1769 0.5000 ( 4132 PWs) bands (ev): -5.0828 -5.0816 -4.7359 -4.7353 1.7272 1.7543 2.0330 2.0450 2.7423 2.7510 3.1951 3.2559 3.3371 3.3886 3.4255 3.4520 3.6786 3.7091 3.8499 3.8826 3.9565 3.9937 4.1736 4.2884 4.3381 4.4071 4.4462 4.4879 4.5513 4.5894 4.6508 4.6865 4.7762 4.7865 4.9096 4.9569 5.1136 5.1370 5.9306 6.0050 6.2478 6.3251 6.8913 6.9877 7.2107 7.3093 10.0099 10.0367 10.5083 10.5940 12.1773 12.1964 12.2788 12.3016 13.8445 13.8991 k = 0.5000-0.1615 0.5000 ( 4144 PWs) bands (ev): -5.0897 -5.0886 -4.7375 -4.7369 1.7260 1.7507 2.0375 2.0484 2.7715 2.7810 3.1846 3.2409 3.3255 3.3753 3.4112 3.4387 3.6743 3.7046 3.8477 3.8807 3.9560 3.9880 4.1749 4.2849 4.3364 4.4110 4.4476 4.4933 4.5520 4.5899 4.6514 4.6806 4.7742 4.7815 4.9155 4.9597 5.1196 5.1407 6.0020 6.0796 6.2826 6.3657 6.9280 7.0285 7.2548 7.3466 9.8998 9.9260 10.3940 10.4784 12.1829 12.2111 12.2596 12.2901 13.8475 13.8957 k = 0.5000-0.1462 0.5000 ( 4144 PWs) bands (ev): -5.0961 -5.0951 -4.7390 -4.7384 1.7251 1.7475 2.0417 2.0516 2.7974 2.8089 3.1753 3.2269 3.3152 3.3624 3.3983 3.4270 3.6708 3.7002 3.8470 3.8794 3.9554 3.9836 4.1766 4.2806 4.3357 4.4133 4.4505 4.4990 4.5525 4.5902 4.6484 4.6764 4.7685 4.7809 4.9213 4.9619 5.1252 5.1440 6.0703 6.1508 6.3195 6.4083 6.9635 7.0668 7.2963 7.3809 9.7948 9.8201 10.2834 10.3652 12.1829 12.2185 12.2532 12.2890 13.8507 13.8932 k = 0.5000-0.1308 0.5000 ( 4144 PWs) bands (ev): -5.1021 -5.1012 -4.7404 -4.7398 1.7246 1.7445 2.0457 2.0545 2.8204 2.8337 3.1672 3.2141 3.3062 3.3499 3.3872 3.4165 3.6681 3.6959 3.8475 3.8784 3.9548 3.9805 4.1787 4.2753 4.3361 4.4138 4.4548 4.5047 4.5527 4.5904 4.6416 4.6736 4.7628 4.7815 4.9267 4.9636 5.1303 5.1470 6.1345 6.2173 6.3582 6.4521 6.9975 7.1022 7.3349 7.4117 9.6961 9.7200 10.1777 10.2559 12.1786 12.2124 12.2643 12.2963 13.8539 13.8913 k = 0.5000-0.1154 0.5000 ( 4144 PWs) bands (ev): -5.1075 -5.1067 -4.7416 -4.7411 1.7243 1.7418 2.0493 2.0572 2.8407 2.8553 3.1605 3.2023 3.2985 3.3381 3.3779 3.4071 3.6661 3.6919 3.8490 3.8777 3.9542 3.9785 4.1811 4.2693 4.3376 4.4128 4.4601 4.5101 4.5530 4.5906 4.6325 4.6708 4.7587 4.7821 4.9319 4.9648 5.1351 5.1497 6.1942 6.2773 6.3989 6.4957 7.0303 7.1342 7.3702 7.4390 9.6046 9.6268 10.0786 10.1519 12.1728 12.2025 12.2820 12.3085 13.8571 13.8898 k = 0.5000-0.1000 0.5000 ( 4144 PWs) bands (ev): -5.1124 -5.1116 -4.7427 -4.7423 1.7242 1.7394 2.0526 2.0595 2.8583 2.8735 3.1550 3.1916 3.2921 3.3270 3.3706 3.3987 3.6649 3.6882 3.8512 3.8770 3.9537 3.9772 4.1841 4.2627 4.3403 4.4106 4.4662 4.5147 4.5535 4.5908 4.6227 4.6667 4.7567 4.7824 4.9368 4.9655 5.1394 5.1520 6.2489 6.3293 6.4415 6.5375 7.0619 7.1625 7.4020 7.4625 9.5215 9.5417 9.9875 10.0549 12.1674 12.1933 12.3007 12.3228 13.8602 13.8885 k = 0.5000-0.0846 0.5000 ( 4144 PWs) bands (ev): -5.1166 -5.1159 -4.7437 -4.7433 1.7244 1.7372 2.0556 2.0614 2.8734 2.8883 3.1508 3.1820 3.2870 3.3169 3.3651 3.3911 3.6645 3.6848 3.8539 3.8763 3.9538 3.9762 4.1876 4.2557 4.3440 4.4075 4.4725 4.5182 4.5545 4.5910 4.6131 4.6608 4.7568 4.7824 4.9414 4.9658 5.1433 5.1539 6.2982 6.3722 6.4851 6.5755 7.0923 7.1863 7.4301 7.4820 9.4480 9.4658 9.9063 9.9664 12.1632 12.1854 12.3190 12.3373 13.8632 13.8872 k = 0.5000-0.0692 0.5000 ( 4136 PWs) bands (ev): -5.1201 -5.1196 -4.7445 -4.7442 1.7247 1.7352 2.0582 2.0630 2.8861 2.8998 3.1478 3.1735 3.2832 3.3079 3.3613 3.3843 3.6647 3.6818 3.8568 3.8755 3.9546 3.9752 4.1917 4.2484 4.3487 4.4035 4.4791 4.5201 4.5562 4.5905 4.6054 4.6536 4.7584 4.7818 4.9455 4.9656 5.1468 5.1554 6.3419 6.4061 6.5276 6.6080 7.1213 7.2053 7.4544 7.4975 9.3852 9.4002 9.8364 9.8880 12.1603 12.1787 12.3359 12.3508 13.8661 13.8860 k = 0.5000-0.0538 0.5000 ( 4140 PWs) bands (ev): -5.1230 -5.1226 -4.7452 -4.7449 1.7252 1.7334 2.0604 2.0641 2.8965 2.9081 3.1461 3.1662 3.2807 3.3000 3.3592 3.3782 3.6655 3.6790 3.8597 3.8744 3.9562 3.9738 4.1963 4.2410 4.3543 4.3987 4.4857 4.5202 4.5585 4.5874 4.6022 4.6455 4.7611 4.7808 4.9493 4.9650 5.1498 5.1564 6.3793 6.4314 6.5667 6.6332 7.1485 7.2188 7.4747 7.5088 9.3338 9.3458 9.7795 9.8214 12.1587 12.1733 12.3507 12.3623 13.8689 13.8845 k = 0.5000-0.0385 0.5000 ( 4140 PWs) bands (ev): -5.1251 -5.1248 -4.7456 -4.7455 1.7259 1.7317 2.0622 2.0649 2.9048 2.9136 3.1456 3.1600 3.2795 3.2933 3.3586 3.3727 3.6667 3.6765 3.8625 3.8731 3.9584 3.9719 4.2014 4.2337 4.3604 4.3933 4.4923 4.5185 4.5613 4.5820 4.6037 4.6370 4.7644 4.7791 4.9528 4.9640 5.1522 5.1570 6.4101 6.4484 6.6005 6.6502 7.1732 7.2263 7.4913 7.5160 9.2950 9.3037 9.7371 9.7680 12.1583 12.1688 12.3629 12.3712 13.8715 13.8828 k = 0.5000-0.0231 0.5000 ( 4124 PWs) bands (ev): -5.1266 -5.1264 -4.7460 -4.7459 1.7268 1.7303 2.0636 2.0652 2.9110 2.9165 3.1462 3.1549 3.2796 3.2879 3.3594 3.3681 3.6683 3.6743 3.8652 3.8715 3.9611 3.9697 4.2071 4.2266 4.3671 4.3872 4.4987 4.5151 4.5645 4.5766 4.6079 4.6286 4.7679 4.7770 4.9558 4.9625 5.1543 5.1571 6.4338 6.4572 6.6275 6.6581 7.1944 7.2275 7.5039 7.5189 9.2693 9.2746 9.7103 9.7293 12.1588 12.1652 12.3718 12.3769 13.8741 13.8809 k = 0.5000-0.0077 0.5000 ( 4116 PWs) bands (ev): -5.1272 -5.1272 -4.7461 -4.7461 1.7278 1.7290 2.0646 2.0651 2.9150 2.9169 3.1480 3.1509 3.2811 3.2839 3.3613 3.3642 3.6701 3.6721 3.8676 3.8697 3.9641 3.9670 4.2132 4.2198 4.3739 4.3807 4.5049 4.5105 4.5680 4.5720 4.6137 4.6207 4.7713 4.7743 4.9585 4.9607 5.1557 5.1567 6.4497 6.4576 6.6465 6.6568 7.2112 7.2224 7.5128 7.5179 9.2572 9.2590 9.7000 9.7064 12.1602 12.1623 12.3773 12.3789 13.8766 13.8788 k = 0.5000 0.0077 0.5000 ( 4116 PWs) bands (ev): -5.1272 -5.1272 -4.7461 -4.7461 1.7278 1.7290 2.0646 2.0651 2.9150 2.9169 3.1480 3.1509 3.2811 3.2839 3.3613 3.3642 3.6701 3.6721 3.8676 3.8697 3.9641 3.9670 4.2132 4.2198 4.3739 4.3807 4.5049 4.5105 4.5680 4.5720 4.6137 4.6207 4.7713 4.7743 4.9585 4.9607 5.1557 5.1567 6.4497 6.4576 6.6465 6.6568 7.2112 7.2224 7.5128 7.5179 9.2572 9.2590 9.7000 9.7064 12.1602 12.1623 12.3773 12.3789 13.8766 13.8788 k = 0.5000 0.0231 0.5000 ( 4124 PWs) bands (ev): -5.1266 -5.1264 -4.7460 -4.7459 1.7268 1.7303 2.0636 2.0652 2.9110 2.9165 3.1462 3.1549 3.2796 3.2879 3.3594 3.3681 3.6683 3.6743 3.8652 3.8715 3.9611 3.9697 4.2071 4.2266 4.3671 4.3872 4.4987 4.5151 4.5645 4.5766 4.6079 4.6286 4.7679 4.7770 4.9558 4.9625 5.1543 5.1571 6.4338 6.4572 6.6275 6.6581 7.1944 7.2275 7.5039 7.5189 9.2693 9.2746 9.7103 9.7293 12.1588 12.1652 12.3718 12.3769 13.8741 13.8809 k = 0.5000 0.0385 0.5000 ( 4140 PWs) bands (ev): -5.1251 -5.1248 -4.7456 -4.7455 1.7259 1.7317 2.0622 2.0649 2.9048 2.9136 3.1456 3.1600 3.2795 3.2933 3.3586 3.3727 3.6667 3.6765 3.8625 3.8731 3.9584 3.9719 4.2014 4.2337 4.3604 4.3933 4.4923 4.5185 4.5613 4.5820 4.6037 4.6370 4.7644 4.7791 4.9528 4.9640 5.1522 5.1570 6.4101 6.4484 6.6005 6.6502 7.1732 7.2263 7.4913 7.5160 9.2950 9.3037 9.7371 9.7680 12.1583 12.1688 12.3629 12.3712 13.8715 13.8828 k = 0.5000 0.0538 0.5000 ( 4140 PWs) bands (ev): -5.1230 -5.1226 -4.7452 -4.7449 1.7252 1.7334 2.0604 2.0641 2.8965 2.9081 3.1461 3.1662 3.2807 3.3000 3.3592 3.3782 3.6655 3.6790 3.8597 3.8744 3.9562 3.9738 4.1963 4.2410 4.3543 4.3987 4.4857 4.5202 4.5585 4.5874 4.6022 4.6455 4.7611 4.7808 4.9493 4.9650 5.1498 5.1564 6.3793 6.4314 6.5667 6.6332 7.1485 7.2188 7.4747 7.5088 9.3338 9.3458 9.7795 9.8214 12.1587 12.1733 12.3507 12.3623 13.8689 13.8845 k = 0.5000 0.0692 0.5000 ( 4136 PWs) bands (ev): -5.1201 -5.1196 -4.7445 -4.7442 1.7247 1.7352 2.0582 2.0630 2.8861 2.8998 3.1478 3.1735 3.2832 3.3079 3.3613 3.3843 3.6647 3.6818 3.8568 3.8755 3.9546 3.9752 4.1917 4.2484 4.3487 4.4035 4.4791 4.5201 4.5562 4.5905 4.6054 4.6536 4.7584 4.7818 4.9455 4.9656 5.1468 5.1554 6.3419 6.4061 6.5276 6.6080 7.1213 7.2053 7.4544 7.4975 9.3852 9.4002 9.8364 9.8880 12.1603 12.1787 12.3359 12.3508 13.8661 13.8860 k = 0.5000 0.0846 0.5000 ( 4144 PWs) bands (ev): -5.1166 -5.1159 -4.7437 -4.7433 1.7244 1.7372 2.0556 2.0614 2.8734 2.8883 3.1508 3.1820 3.2870 3.3169 3.3651 3.3911 3.6645 3.6848 3.8539 3.8763 3.9538 3.9762 4.1876 4.2557 4.3440 4.4075 4.4725 4.5182 4.5545 4.5910 4.6131 4.6608 4.7568 4.7824 4.9414 4.9658 5.1433 5.1539 6.2982 6.3722 6.4851 6.5755 7.0923 7.1863 7.4301 7.4820 9.4480 9.4658 9.9063 9.9664 12.1632 12.1854 12.3190 12.3373 13.8632 13.8872 k = 0.5000 0.1000 0.5000 ( 4144 PWs) bands (ev): -5.1124 -5.1116 -4.7427 -4.7423 1.7242 1.7394 2.0526 2.0595 2.8583 2.8735 3.1550 3.1916 3.2921 3.3270 3.3706 3.3987 3.6649 3.6882 3.8512 3.8770 3.9537 3.9772 4.1841 4.2627 4.3403 4.4106 4.4662 4.5147 4.5535 4.5908 4.6227 4.6667 4.7567 4.7824 4.9368 4.9655 5.1394 5.1520 6.2489 6.3293 6.4415 6.5375 7.0619 7.1625 7.4020 7.4625 9.5215 9.5417 9.9875 10.0549 12.1674 12.1933 12.3007 12.3228 13.8602 13.8885 k = 0.5000 0.1154 0.5000 ( 4144 PWs) bands (ev): -5.1075 -5.1067 -4.7416 -4.7411 1.7243 1.7418 2.0493 2.0572 2.8407 2.8553 3.1605 3.2023 3.2985 3.3381 3.3779 3.4071 3.6661 3.6919 3.8490 3.8777 3.9542 3.9785 4.1811 4.2693 4.3376 4.4128 4.4601 4.5101 4.5530 4.5906 4.6325 4.6708 4.7587 4.7821 4.9319 4.9648 5.1351 5.1497 6.1942 6.2773 6.3989 6.4957 7.0303 7.1342 7.3702 7.4390 9.6046 9.6268 10.0786 10.1519 12.1728 12.2025 12.2820 12.3085 13.8571 13.8898 k = 0.5000 0.1308 0.5000 ( 4144 PWs) bands (ev): -5.1021 -5.1012 -4.7404 -4.7398 1.7246 1.7445 2.0457 2.0545 2.8204 2.8337 3.1672 3.2141 3.3062 3.3499 3.3872 3.4165 3.6681 3.6959 3.8475 3.8784 3.9548 3.9805 4.1787 4.2753 4.3361 4.4138 4.4548 4.5047 4.5527 4.5904 4.6416 4.6736 4.7628 4.7815 4.9267 4.9636 5.1303 5.1470 6.1345 6.2173 6.3582 6.4521 6.9975 7.1022 7.3349 7.4117 9.6961 9.7200 10.1777 10.2559 12.1786 12.2124 12.2643 12.2963 13.8539 13.8913 k = 0.5000 0.1462 0.5000 ( 4144 PWs) bands (ev): -5.0961 -5.0951 -4.7390 -4.7384 1.7251 1.7475 2.0417 2.0516 2.7974 2.8089 3.1753 3.2269 3.3152 3.3624 3.3983 3.4270 3.6708 3.7002 3.8470 3.8794 3.9554 3.9836 4.1766 4.2806 4.3357 4.4133 4.4505 4.4990 4.5525 4.5902 4.6484 4.6764 4.7685 4.7809 4.9213 4.9619 5.1252 5.1440 6.0703 6.1508 6.3195 6.4083 6.9635 7.0668 7.2963 7.3809 9.7948 9.8201 10.2834 10.3652 12.1829 12.2185 12.2532 12.2890 13.8507 13.8932 k = 0.5000 0.1615 0.5000 ( 4144 PWs) bands (ev): -5.0897 -5.0886 -4.7375 -4.7369 1.7260 1.7507 2.0375 2.0484 2.7715 2.7810 3.1846 3.2409 3.3255 3.3753 3.4112 3.4387 3.6743 3.7046 3.8477 3.8807 3.9560 3.9880 4.1749 4.2849 4.3364 4.4110 4.4476 4.4933 4.5520 4.5899 4.6514 4.6806 4.7742 4.7815 4.9155 4.9597 5.1196 5.1407 6.0020 6.0796 6.2826 6.3657 6.9280 7.0285 7.2548 7.3466 9.8998 9.9260 10.3940 10.4784 12.1829 12.2111 12.2596 12.2901 13.8475 13.8957 k = 0.5000 0.1769 0.5000 ( 4132 PWs) bands (ev): -5.0828 -5.0816 -4.7359 -4.7353 1.7272 1.7543 2.0330 2.0450 2.7423 2.7510 3.1951 3.2559 3.3371 3.3886 3.4255 3.4520 3.6786 3.7091 3.8499 3.8826 3.9565 3.9937 4.1736 4.2884 4.3381 4.4071 4.4462 4.4879 4.5513 4.5894 4.6508 4.6865 4.7762 4.7865 4.9096 4.9569 5.1136 5.1370 5.9306 6.0050 6.2478 6.3251 6.8913 6.9877 7.2107 7.3093 10.0099 10.0367 10.5083 10.5940 12.1773 12.1964 12.2788 12.3016 13.8445 13.8991 k = 0.5000 0.1923 0.5000 ( 4140 PWs) bands (ev): -5.0755 -5.0743 -4.7343 -4.7336 1.7287 1.7582 2.0283 2.0414 2.7093 2.7195 3.2069 3.2718 3.3499 3.4022 3.4411 3.4669 3.6834 3.7134 3.8535 3.8852 3.9572 4.0007 4.1724 4.2910 4.3401 4.4020 4.4456 4.4830 4.5501 4.5887 4.6478 4.6927 4.7761 4.7939 4.9036 4.9536 5.1073 5.1330 5.8566 5.9283 6.2151 6.2873 6.8532 6.9448 7.1643 7.2692 10.1239 10.1510 10.6246 10.7104 12.1674 12.1814 12.3054 12.3225 13.8416 13.9036 k = 0.5000 0.2077 0.5000 ( 4132 PWs) bands (ev): -5.0679 -5.0667 -4.7325 -4.7319 1.7307 1.7626 2.0235 2.0377 2.6730 2.6867 3.2198 3.2886 3.3638 3.4160 3.4574 3.4835 3.6889 3.7173 3.8583 3.8891 3.9585 4.0089 4.1716 4.2929 4.3423 4.3964 4.4453 4.4792 4.5483 4.5877 4.6438 4.6982 4.7760 4.8015 4.8976 4.9497 5.1005 5.1287 5.7809 5.8503 6.1848 6.2526 6.8141 6.9003 7.1160 7.2267 10.2406 10.2679 10.7418 10.8262 12.1556 12.1676 12.3385 12.3518 13.8390 13.9094 k = 0.5000 0.2231 0.5000 ( 4128 PWs) bands (ev): -5.0601 -5.0588 -4.7308 -4.7301 1.7331 1.7673 2.0185 2.0339 2.6343 2.6525 3.2339 3.3063 3.3787 3.4300 3.4742 3.5019 3.6950 3.7210 3.8640 3.8945 3.9605 4.0182 4.1708 4.2944 4.3440 4.3907 4.4447 4.4769 4.5457 4.5866 4.6393 4.7024 4.7760 4.8084 4.8918 4.9452 5.0932 5.1240 5.7043 5.7719 6.1572 6.2213 6.7740 6.8546 7.0662 7.1819 10.3589 10.3862 10.8584 10.9400 12.1437 12.1555 12.3770 12.3899 13.8369 13.9168 k = 0.5000 0.2385 0.5000 ( 4136 PWs) bands (ev): -5.0521 -5.0508 -4.7289 -4.7282 1.7361 1.7725 2.0133 2.0300 2.5936 2.6169 3.2490 3.3246 3.3945 3.4441 3.4913 3.5217 3.7015 3.7244 3.8699 3.9018 3.9636 4.0286 4.1703 4.2954 4.3447 4.3853 4.4436 4.4762 4.5423 4.5852 4.6344 4.7053 4.7762 4.8142 4.8864 4.9400 5.0854 5.1188 5.6274 5.6939 6.1325 6.1936 6.7334 6.8080 7.0152 7.1354 10.4775 10.5047 10.9732 11.0503 12.1330 12.1453 12.4202 12.4384 13.8352 13.9259 k = 0.5000 0.2538 0.5000 ( 4144 PWs) bands (ev): -5.0440 -5.0427 -4.7271 -4.7264 1.7396 1.7783 2.0082 2.0262 2.5515 2.5802 3.2650 3.3434 3.4110 3.4583 3.5084 3.5426 3.7087 3.7279 3.8756 3.9107 3.9683 4.0400 4.1699 4.2960 4.3442 4.3807 4.4420 4.4769 4.5380 4.5838 4.6292 4.7071 4.7764 4.8187 4.8816 4.9341 5.0770 5.1131 5.5510 5.6169 6.1108 6.1695 6.6923 6.7611 6.9633 7.0873 10.5949 10.6222 11.0849 11.1558 12.1241 12.1372 12.4690 12.4969 13.8341 13.9370 k = 0.5000 0.2692 0.5000 ( 4144 PWs) bands (ev): -5.0359 -5.0346 -4.7253 -4.7246 1.7437 1.7845 2.0030 2.0224 2.5085 2.5426 3.2819 3.3626 3.4281 3.4725 3.5254 3.5640 3.7164 3.7320 3.8811 3.9205 3.9752 4.0524 4.1698 4.2964 4.3422 4.3770 4.4401 4.4789 4.5330 4.5824 4.6238 4.7078 4.7762 4.8214 4.8776 4.9274 5.0679 5.1066 5.4757 5.5418 6.0924 6.1493 6.6514 6.7141 6.9108 7.0380 10.7097 10.7373 11.1927 11.2559 12.1173 12.1316 12.5246 12.5652 13.8338 13.9501 k = 0.5000 0.2846 0.5000 ( 4148 PWs) bands (ev): -5.0278 -5.0265 -4.7235 -4.7228 1.7486 1.7914 1.9977 2.0188 2.4650 2.5044 3.2995 3.3821 3.4456 3.4868 3.5419 3.5853 3.7244 3.7376 3.8865 3.9303 3.9848 4.0659 4.1700 4.2963 4.3389 4.3743 4.4383 4.4815 4.5273 4.5810 4.6180 4.7077 4.7753 4.8224 4.8746 4.9200 5.0580 5.0991 5.4020 5.4691 6.0775 6.1329 6.6108 6.6676 6.8581 6.9878 10.8203 10.8483 11.2955 11.3501 12.1128 12.1284 12.5875 12.6429 13.8342 13.9654 k = 0.5000 0.3000 0.5000 ( 4140 PWs) bands (ev): -5.0198 -5.0186 -4.7217 -4.7210 1.7542 1.7989 1.9926 2.0154 2.4214 2.4660 3.3177 3.4014 3.4633 3.5011 3.5579 3.6055 3.7326 3.7455 3.8922 3.9396 3.9971 4.0803 4.1707 4.2957 4.3348 4.3725 4.4366 4.4842 4.5212 4.5797 4.6119 4.7071 4.7734 4.8217 4.8725 4.9117 5.0473 5.0906 5.3307 5.3998 6.0660 6.1203 6.5710 6.6220 6.8055 6.9371 10.9248 10.9537 11.3929 11.4389 12.1105 12.1280 12.6580 12.7297 13.8354 13.9828 k = 0.5000 0.3154 0.5000 ( 4128 PWs) bands (ev): -5.0121 -5.0109 -4.7199 -4.7193 1.7607 1.8070 1.9874 2.0122 2.3781 2.4276 3.3362 3.4204 3.4810 3.5154 3.5729 3.6237 3.7417 3.7560 3.8981 3.9485 4.0115 4.0956 4.1721 4.2946 4.3304 4.3714 4.4349 4.4864 4.5153 4.5783 4.6053 4.7058 4.7704 4.8197 4.8709 4.9024 5.0355 5.0805 5.2624 5.3349 6.0582 6.1116 6.5325 6.5776 6.7533 6.8862 11.0216 11.0515 11.4845 11.5232 12.1104 12.1302 12.7359 12.8246 13.8374 14.0018 k = 0.5000 0.3308 0.5000 ( 4136 PWs) bands (ev): -5.0046 -5.0035 -4.7183 -4.7177 1.7680 1.8158 1.9824 2.0094 2.3352 2.3895 3.3550 3.4386 3.4984 3.5297 3.5867 3.6388 3.7526 3.7684 3.9046 3.9578 4.0270 4.1114 4.1743 4.2925 4.3264 4.3708 4.4331 4.4867 4.5107 4.5767 4.5984 4.7040 4.7661 4.8165 4.8693 4.8922 5.0225 5.0684 5.1982 5.2753 6.0540 6.1066 6.4955 6.5348 6.7016 6.8352 11.1092 11.1398 11.5700 11.6044 12.1123 12.1353 12.8208 12.9263 13.8403 14.0217 k = 0.5000 0.3462 0.5000 ( 4140 PWs) bands (ev): -4.9975 -4.9964 -4.7167 -4.7161 1.7764 1.8253 1.9774 2.0070 2.2933 2.3520 3.3737 3.4556 3.5153 3.5439 3.5992 3.6503 3.7660 3.7820 3.9119 3.9680 4.0428 4.1272 4.1778 4.2893 4.3233 4.3708 4.4311 4.4838 4.5087 4.5743 4.5916 4.7016 4.7604 4.8121 4.8670 4.8814 5.0080 5.0535 5.1398 5.2224 6.0535 6.1053 6.4606 6.4942 6.6508 6.7847 11.1865 11.2172 11.6496 11.6835 12.1160 12.1430 12.9117 13.0333 13.8439 14.0407 k = 0.5000 0.3615 0.5000 ( 4144 PWs) bands (ev): -4.9908 -4.9898 -4.7152 -4.7147 1.7858 1.8356 1.9725 2.0051 2.2525 2.3154 3.3921 3.4710 3.5317 3.5582 3.6104 3.6581 3.7811 3.7962 3.9206 3.9800 4.0580 4.1422 4.1830 4.2849 4.3216 4.3714 4.4289 4.4781 4.5088 4.5697 4.5864 4.6986 4.7532 4.8058 4.8616 4.8727 4.9921 5.0336 5.0907 5.1772 6.0565 6.1077 6.4281 6.4562 6.6010 6.7347 11.2530 11.2829 11.7235 11.7603 12.1212 12.1532 13.0076 13.1440 13.8481 14.0548 k = 0.5000 0.3769 0.5000 ( 4160 PWs) bands (ev): -4.9846 -4.9837 -4.7138 -4.7133 1.7963 1.8465 1.9676 2.0039 2.2130 2.2798 3.4100 3.4844 3.5474 3.5723 3.6203 3.6629 3.7966 3.8102 3.9312 3.9939 4.0722 4.1549 4.1902 4.2795 4.3214 4.3725 4.4264 4.4709 4.5095 4.5620 4.5837 4.6949 4.7443 4.7958 4.8514 4.8688 4.9748 5.0055 5.0563 5.1399 6.0631 6.1134 6.3980 6.4214 6.5525 6.6857 11.3089 11.3370 11.7922 11.8334 12.1276 12.1657 13.1071 13.2566 13.8527 14.0586 k = 0.5000 0.3923 0.5000 ( 4152 PWs) bands (ev): -4.9789 -4.9781 -4.7126 -4.7121 1.8080 1.8580 1.9628 2.0033 2.1754 2.2456 3.4272 3.4955 3.5624 3.5862 3.6291 3.6655 3.8110 3.8235 3.9448 4.0102 4.0853 4.1645 4.1989 4.2739 4.3227 4.3745 4.4239 4.4634 4.5094 4.5523 4.5827 4.6906 4.7334 4.7795 4.8422 4.8666 4.9564 4.9740 5.0347 5.1098 6.0731 6.1223 6.3701 6.3910 6.5056 6.6379 11.3548 11.3803 11.8548 11.9011 12.1353 12.1801 13.2087 13.3694 13.8573 14.0524 k = 0.5000 0.4077 0.5000 ( 4144 PWs) bands (ev): -4.9739 -4.9732 -4.7115 -4.7111 1.8209 1.8702 1.9580 2.0035 2.1398 2.2130 3.4433 3.5041 3.5768 3.5995 3.6366 3.6664 3.8232 3.8351 3.9617 4.0286 4.0973 4.1706 4.2073 4.2686 4.3254 4.3770 4.4219 4.4562 4.5069 4.5428 4.5826 4.6860 4.7203 4.7563 4.8373 4.8649 4.9361 4.9486 5.0195 5.0855 6.0863 6.1341 6.3437 6.3663 6.4602 6.5916 11.3920 11.4142 11.9104 11.9614 12.1446 12.1958 13.3107 13.4810 13.8616 14.0419 k = 0.5000 0.4231 0.5000 ( 4160 PWs) bands (ev): -4.9696 -4.9689 -4.7105 -4.7102 1.8350 1.8827 1.9531 2.0045 2.1067 2.1821 3.4582 3.5102 3.5903 3.6118 3.6429 3.6659 3.8330 3.8441 3.9820 4.0485 4.1081 4.1729 4.2133 4.2646 4.3294 4.3796 4.4209 4.4495 4.5003 4.5355 4.5826 4.6809 4.7042 4.7305 4.8362 4.8635 4.9157 4.9305 5.0083 5.0652 6.1028 6.1481 6.3187 6.3481 6.4168 6.5471 11.4215 11.4400 11.9579 12.0116 12.1563 12.2118 13.4111 13.5898 13.8649 14.0317 k = 0.5000 0.4385 0.5000 ( 4160 PWs) bands (ev): -4.9659 -4.9654 -4.7097 -4.7094 1.8501 1.8955 1.9480 2.0055 2.0774 2.1532 3.4716 3.5140 3.6028 3.6228 3.6479 3.6643 3.8408 3.8506 4.0048 4.0688 4.1178 4.1713 4.2157 4.2618 4.3351 4.3816 4.4207 4.4441 4.4905 4.5307 4.5828 4.6745 4.6840 4.7096 4.8382 4.8626 4.8993 4.9156 5.0005 5.0480 6.1222 6.1637 6.2956 6.3364 6.3757 6.5049 11.4444 11.4592 11.9969 12.0488 12.1721 12.2268 13.5077 13.6937 13.8667 14.0243 k = 0.5000 0.4538 0.5000 ( 4176 PWs) bands (ev): -4.9630 -4.9626 -4.7090 -4.7089 1.8660 1.9080 1.9428 2.0039 2.0552 2.1267 3.4834 3.5156 3.6142 3.6320 3.6514 3.6618 3.8467 3.8548 4.0291 4.0877 4.1259 4.1657 4.2162 4.2585 4.3427 4.3829 4.4192 4.4407 4.4818 4.5261 4.5835 4.6544 4.6747 4.6956 4.8426 4.8623 4.8870 4.9021 4.9961 5.0331 6.1445 6.1801 6.2749 6.3270 6.3417 6.4654 11.4616 11.4726 12.0278 12.0717 12.1919 12.2389 13.5974 13.7880 13.8685 14.0221 k = 0.5000 0.4692 0.5000 ( 4192 PWs) bands (ev): -4.9609 -4.9606 -4.7086 -4.7084 1.8822 1.9187 1.9389 1.9938 2.0468 2.1027 3.4934 3.5150 3.6243 3.6389 3.6532 3.6589 3.8512 3.8569 4.0536 4.1024 4.1315 4.1574 4.2179 4.2524 4.3520 4.3829 4.4162 4.4365 4.4799 4.5192 4.5858 4.6316 4.6720 4.6856 4.8489 4.8627 4.8780 4.8895 4.9950 5.0205 6.1695 6.1962 6.2566 6.2959 6.3394 6.4293 11.4739 11.4812 12.0512 12.0823 12.2128 12.2465 13.6768 13.8350 13.9035 14.0272 k = 0.5000 0.4846 0.5000 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.8976 1.9196 1.9439 1.9763 2.0519 2.0818 3.5016 3.5124 3.6328 3.6418 3.6537 3.6565 3.8544 3.8573 4.0767 4.1067 4.1356 4.1489 4.2234 4.2433 4.3621 4.3795 4.4161 4.4291 4.4863 4.5091 4.5909 4.6132 4.6717 4.6785 4.8568 4.8641 4.8717 4.8778 4.9972 5.0102 6.1968 6.2118 6.2402 6.2615 6.3509 6.3973 11.4818 11.4854 12.0681 12.0841 12.2306 12.2480 13.7421 13.8224 13.9785 14.0403 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.4911 0.4911 0.4911 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.8915 1.9314 1.9434 1.9730 2.0588 2.0727 3.4985 3.5162 3.6304 3.6477 3.6524 3.6539 3.8550 3.8567 4.0814 4.1058 4.1286 4.1524 4.2220 4.2469 4.3560 4.3874 4.4160 4.4266 4.4951 4.5013 4.5822 4.6205 4.6716 4.6752 4.8598 4.8639 4.8711 4.8754 4.9990 5.0114 6.1930 6.2159 6.2307 6.2709 6.3455 6.4021 11.4788 11.4792 12.0644 12.0919 12.2265 12.2570 13.7730 13.7986 14.0295 14.0381 k = 0.4821 0.4821 0.4821 ( 4194 PWs) bands (ev): -4.9610 -4.9607 -4.7086 -4.7085 1.8737 1.9287 1.9534 1.9869 2.0553 2.0839 3.4881 3.5229 3.6214 3.6472 3.6497 3.6560 3.8525 3.8557 4.0639 4.1083 4.1130 4.1602 4.2175 4.2618 4.3402 4.4016 4.4122 4.4313 4.4950 4.5066 4.5684 4.6430 4.6685 4.6759 4.8552 4.8613 4.8793 4.8832 5.0016 5.0256 6.1562 6.2071 6.2430 6.3118 6.3305 6.4371 11.4590 11.4599 12.0480 12.1026 12.2087 12.2691 13.7470 13.7946 14.0030 14.0143 k = 0.4732 0.4732 0.4732 ( 4170 PWs) bands (ev): -4.9631 -4.9627 -4.7091 -4.7089 1.8574 1.9145 1.9768 1.9997 2.0535 2.0983 3.4767 3.5275 3.6119 3.6396 3.6423 3.6639 3.8490 3.8533 4.0450 4.0954 4.1036 4.1650 4.2196 4.2752 4.3250 4.4103 4.4139 4.4345 4.4973 4.5129 4.5587 4.6650 4.6656 4.6764 4.8508 4.8620 4.8897 4.8922 5.0097 5.0438 6.1207 6.1920 6.2603 6.3295 6.3539 6.4747 11.4268 11.4283 12.0303 12.1114 12.1893 12.2789 13.7136 13.7763 13.9631 13.9773 k = 0.4643 0.4643 0.4643 ( 4164 PWs) bands (ev): -4.9661 -4.9656 -4.7098 -4.7095 1.8426 1.9011 2.0014 2.0113 2.0532 2.1159 3.4646 3.5292 3.6020 3.6309 3.6318 3.6716 3.8444 3.8495 4.0257 4.0762 4.0940 4.1666 4.2260 4.2858 4.3108 4.4109 4.4238 4.4361 4.5017 4.5198 4.5533 4.6615 4.6774 4.6860 4.8465 4.8672 4.9027 4.9031 5.0222 5.0649 6.0867 6.1706 6.2831 6.3427 6.3971 6.5143 11.3832 11.3853 12.0114 12.1179 12.1688 12.2861 13.6734 13.7420 13.9125 13.9370 k = 0.4554 0.4554 0.4554 ( 4152 PWs) bands (ev): -4.9699 -4.9693 -4.7106 -4.7103 1.8293 1.8887 2.0220 2.0273 2.0543 2.1364 3.4518 3.5266 3.5917 3.6186 3.6227 3.6790 3.8390 3.8443 4.0067 4.0558 4.0825 4.1651 4.2339 4.2930 4.2981 4.4141 4.4308 4.4363 4.5077 4.5272 4.5523 4.6588 4.6795 4.7017 4.8426 4.8770 4.9177 4.9185 5.0378 5.0879 6.0542 6.1454 6.3115 6.3674 6.4412 6.5555 11.3295 11.3322 11.9918 12.1223 12.1473 12.2906 13.6265 13.6919 13.8544 13.8943 k = 0.4464 0.4464 0.4464 ( 4158 PWs) bands (ev): -4.9745 -4.9738 -4.7117 -4.7113 1.8176 1.8775 2.0322 2.0543 2.0567 2.1595 3.4384 3.5184 3.5810 3.6030 3.6169 3.6862 3.8326 3.8379 3.9884 4.0346 4.0706 4.1607 4.2413 4.2871 4.2970 4.4192 4.4351 4.4358 4.5147 4.5349 4.5550 4.6572 4.6833 4.7117 4.8390 4.8887 4.9372 4.9395 5.0553 5.1119 6.0233 6.1187 6.3453 6.4013 6.4862 6.5981 11.2672 11.2704 11.9718 12.1244 12.1251 12.2921 13.5725 13.6281 13.7919 13.8497 k = 0.4375 0.4375 0.4375 ( 4158 PWs) bands (ev): -4.9800 -4.9791 -4.7130 -4.7125 1.8075 1.8677 2.0422 2.0603 2.0825 2.1846 3.4245 3.5046 3.5700 3.5856 3.6142 3.6931 3.8255 3.8304 3.9714 4.0132 4.0593 4.1538 4.2473 4.2776 4.2987 4.4253 4.4352 4.4372 4.5220 4.5426 4.5604 4.6567 4.6889 4.7166 4.8361 4.8995 4.9589 4.9705 5.0738 5.1361 5.9939 6.0916 6.3840 6.4428 6.5320 6.6423 11.1979 11.2015 11.9516 12.1023 12.1241 12.2905 13.5105 13.5534 13.7285 13.8039 k = 0.4286 0.4286 0.4286 ( 4164 PWs) bands (ev): -4.9861 -4.9852 -4.7145 -4.7139 1.7989 1.8593 2.0524 2.0651 2.1118 2.2115 3.4103 3.4860 3.5587 3.5668 3.6143 3.6998 3.8177 3.8219 3.9555 3.9917 4.0488 4.1447 4.2510 4.2696 4.2990 4.4316 4.4350 4.4378 4.5296 4.5503 4.5673 4.6574 4.6963 4.7180 4.8338 4.9084 4.9834 5.0098 5.0925 5.1600 5.9661 6.0648 6.4272 6.4908 6.5784 6.6879 11.1232 11.1272 11.9316 12.0794 12.1213 12.2857 13.4400 13.4704 13.6667 13.7574 k = 0.4196 0.4196 0.4196 ( 4155 PWs) bands (ev): -4.9931 -4.9921 -4.7162 -4.7155 1.7921 1.8524 2.0630 2.0710 2.1420 2.2399 3.3958 3.4644 3.5472 3.5473 3.6163 3.7062 3.8092 3.8127 3.9410 3.9707 4.0394 4.1339 4.2522 4.2629 4.2987 4.4355 4.4373 4.4377 4.5372 4.5577 4.5746 4.6589 4.7054 4.7177 4.8322 4.9161 5.0107 5.0551 5.1107 5.1831 5.9401 6.0388 6.4740 6.5444 6.6252 6.7352 11.0448 11.0490 11.9120 12.0564 12.1159 12.2775 13.3611 13.3810 13.6082 13.7107 k = 0.4107 0.4107 0.4107 ( 4155 PWs) bands (ev): -5.0008 -4.9998 -4.7180 -4.7172 1.7868 1.8470 2.0741 2.0782 2.1732 2.2695 3.3813 3.4411 3.5273 3.5356 3.6193 3.7122 3.8002 3.8029 3.9275 3.9503 4.0307 4.1221 4.2509 4.2571 4.2982 4.4361 4.4372 4.4435 4.5448 4.5648 4.5814 4.6611 4.7160 4.7171 4.8311 4.9229 5.0404 5.1042 5.1282 5.2052 5.9159 6.0138 6.5233 6.6025 6.6724 6.7840 10.9643 10.9687 11.8931 12.0337 12.1079 12.2660 13.2749 13.2868 13.5537 13.6643 k = 0.4018 0.4018 0.4018 ( 4149 PWs) bands (ev): -5.0092 -5.0082 -4.7201 -4.7191 1.7832 1.8432 2.0859 2.0865 2.2053 2.3002 3.3667 3.4171 3.5075 3.5239 3.6227 3.7177 3.7907 3.7928 3.9151 3.9309 4.0228 4.1095 4.2471 4.2521 4.2979 4.4344 4.4400 4.4489 4.5524 4.5714 4.5869 4.6636 4.7171 4.7276 4.8307 4.9290 5.0721 5.1446 5.1560 5.2263 5.8937 5.9900 6.5742 6.6642 6.7198 6.8346 10.8831 10.8876 11.8750 12.0115 12.0971 12.2510 13.1828 13.1893 13.5030 13.6186 k = 0.3929 0.3929 0.3929 ( 4146 PWs) bands (ev): -5.0184 -5.0174 -4.7223 -4.7212 1.7812 1.8410 2.0961 2.0985 2.2382 2.3318 3.3523 3.3932 3.4882 3.5121 3.6262 3.7225 3.7809 3.7826 3.9035 3.9127 4.0154 4.0964 4.2414 4.2477 4.2981 4.4323 4.4441 4.4541 4.5597 4.5773 4.5908 4.6663 4.7185 4.7399 4.8308 4.9346 5.1054 5.1597 5.2093 5.2463 5.8738 5.9676 6.6253 6.7283 6.7672 6.8870 10.8029 10.8075 11.8581 11.9901 12.0835 12.2327 13.0866 13.0894 13.4557 13.5737 k = 0.3839 0.3839 0.3839 ( 4146 PWs) bands (ev): -5.0283 -5.0272 -4.7246 -4.7234 1.7809 1.8405 2.1068 2.1120 2.2718 2.3642 3.3381 3.3700 3.4699 3.5006 3.6295 3.7263 3.7708 3.7726 3.8924 3.8962 4.0083 4.0832 4.2340 4.2438 4.2989 4.4297 4.4494 4.4593 4.5668 4.5826 4.5928 4.6691 4.7214 4.7526 4.8314 4.9398 5.1394 5.1736 5.2630 5.2657 5.8566 5.9469 6.6756 6.7935 6.8143 6.9408 10.7250 10.7296 11.8425 11.9696 12.0672 12.2110 12.9876 12.9881 13.4116 13.5298 k = 0.3750 0.3750 0.3750 ( 4155 PWs) bands (ev): -5.0388 -5.0378 -4.7271 -4.7257 1.7823 1.8416 2.1189 2.1265 2.3060 2.3972 3.3243 3.3479 3.4527 3.4892 3.6323 3.7288 3.7605 3.7630 3.8817 3.8819 4.0016 4.0700 4.2254 4.2402 4.3003 4.4267 4.4556 4.4646 4.5734 4.5872 4.5933 4.6719 4.7259 4.7653 4.8325 4.9445 5.1731 5.1863 5.2850 5.3158 5.8427 5.9279 6.7240 6.8586 6.8610 6.9956 10.6509 10.6553 11.8284 11.9505 12.0481 12.1862 12.8863 12.8872 13.3705 13.4804 k = 0.3661 0.3661 0.3661 ( 4134 PWs) bands (ev): -5.0501 -5.0491 -4.7297 -4.7281 1.7854 1.8445 2.1323 2.1420 2.3409 2.4307 3.3112 3.3273 3.4370 3.4782 3.6344 3.7296 3.7502 3.7542 3.8698 3.8717 3.9950 4.0569 4.2160 4.2369 4.3026 4.4234 4.4628 4.4703 4.5796 4.5911 4.5926 4.6749 4.7317 4.7779 4.8341 4.9490 5.1979 5.2053 5.3050 5.3665 5.8333 5.9112 6.7699 6.9072 6.9220 7.0506 10.5817 10.5861 11.8161 11.9328 12.0263 12.1583 12.7849 12.7864 13.3323 13.3960 k = 0.3571 0.3571 0.3571 ( 4140 PWs) bands (ev): -5.0621 -5.0611 -4.7323 -4.7305 1.7901 1.8490 2.1470 2.1585 2.3761 2.4646 3.2987 3.3083 3.4227 3.4677 3.6355 3.7281 3.7398 3.7465 3.8609 3.8618 3.9885 4.0440 4.2061 4.2337 4.3056 4.4197 4.4707 4.4763 4.5851 4.5912 4.5943 4.6780 4.7383 4.7898 4.8363 4.9531 5.2083 5.2341 5.3266 5.4129 5.8298 5.8971 6.8127 6.9525 6.9823 7.1047 10.5188 10.5231 11.8059 11.9170 12.0017 12.1275 12.6846 12.6862 13.2972 13.3051 k = 0.3482 0.3482 0.3482 ( 4140 PWs) bands (ev): -5.0747 -5.0738 -4.7350 -4.7330 1.7964 1.8553 2.1630 2.1761 2.4117 2.4988 3.2871 3.2911 3.4101 3.4576 3.6355 3.7243 3.7294 3.7401 3.8521 3.8551 3.9820 4.0314 4.1961 4.2306 4.3093 4.4157 4.4791 4.4828 4.5897 4.5899 4.5969 4.6815 4.7453 4.8007 4.8393 4.9570 5.2178 5.2584 5.3503 5.4528 5.8343 5.8861 6.8520 6.9967 7.0380 7.1566 10.4633 10.4674 11.7978 11.9031 11.9744 12.0938 12.5863 12.5876 13.2082 13.2651 k = 0.3393 0.3393 0.3393 ( 4128 PWs) bands (ev): -5.0880 -5.0871 -4.7376 -4.7355 1.8045 1.8632 2.1804 2.1949 2.4475 2.5331 3.2760 3.2766 3.3990 3.4482 3.6341 3.7182 3.7191 3.7354 3.8426 3.8525 3.9755 4.0192 4.1860 4.2275 4.3139 4.4115 4.4881 4.4897 4.5884 4.5941 4.5988 4.6855 4.7526 4.8100 4.8437 4.9607 5.2265 5.2780 5.3755 5.4839 5.8486 5.8790 6.8876 7.0398 7.0878 7.2050 10.4159 10.4198 11.7922 11.8914 11.9446 12.0576 12.4909 12.4916 13.1058 13.2364 k = 0.3304 0.3304 0.3304 ( 4131 PWs) bands (ev): -5.1019 -5.1011 -4.7402 -4.7380 1.8141 1.8728 2.1991 2.2147 2.4835 2.5674 3.2628 3.2671 3.3895 3.4395 3.6313 3.7088 3.7102 3.7322 3.8332 3.8525 3.9689 4.0073 4.1761 4.2241 4.3191 4.4073 4.4971 4.4974 4.5875 4.5977 4.6002 4.6899 4.7596 4.8170 4.8497 4.9642 5.2344 5.2937 5.4005 5.5048 5.8738 5.8764 6.9193 7.0813 7.1301 7.2485 10.3774 10.3809 11.7891 11.8820 11.9122 12.0190 12.3991 12.3996 12.9985 13.1662 k = 0.3214 0.3214 0.3214 ( 4140 PWs) bands (ev): -5.1164 -5.1157 -4.7428 -4.7404 1.8254 1.8842 2.2191 2.2357 2.5194 2.6016 3.2517 3.2589 3.3816 3.4315 3.6274 3.6988 3.7010 3.7305 3.8240 3.8546 3.9622 3.9959 4.1665 4.2205 4.3250 4.4033 4.5049 4.5069 4.5873 4.6008 4.6011 4.6947 4.7663 4.8216 4.8574 4.9674 5.2417 5.3064 5.4231 5.5157 5.8790 5.9093 6.9467 7.1212 7.1639 7.2862 10.3477 10.3509 11.7888 11.8748 11.8772 11.9782 12.3116 12.3134 12.8870 13.0491 k = 0.3125 0.3125 0.3125 ( 4140 PWs) bands (ev): -5.1315 -5.1309 -4.7452 -4.7427 1.8383 1.8972 2.2406 2.2578 2.5552 2.6355 3.2426 3.2520 3.3752 3.4244 3.6227 3.6890 3.6910 3.7301 3.8151 3.8582 3.9555 3.9850 4.1572 4.2165 4.3315 4.3995 4.5131 4.5164 4.5880 4.6015 4.6038 4.7001 4.7725 4.8244 4.8663 4.9706 5.2486 5.3172 5.4419 5.5186 5.8876 5.9530 6.9694 7.1592 7.1883 7.3174 10.3265 10.3291 11.7912 11.8397 11.8691 11.9360 12.2304 12.2338 12.7725 12.9260 k = 0.3036 0.3036 0.3036 ( 4140 PWs) bands (ev): -5.1472 -5.1466 -4.7475 -4.7449 1.8527 1.9118 2.2633 2.2810 2.5907 2.6691 3.2356 3.2465 3.3702 3.4181 3.6176 3.6795 3.6807 3.7306 3.8066 3.8628 3.9489 3.9747 4.1483 4.2121 4.3385 4.3963 4.5215 4.5258 4.5895 4.6017 4.6069 4.7060 4.7782 4.8258 4.8757 4.9736 5.2550 5.3265 5.4557 5.5155 5.9022 6.0025 6.9872 7.1951 7.2029 7.3418 10.3126 10.3146 11.7963 11.7996 11.8600 11.8973 12.1575 12.1624 12.6559 12.7992 k = 0.2946 0.2946 0.2946 ( 4134 PWs) bands (ev): -5.1633 -5.1628 -4.7497 -4.7469 1.8686 1.9281 2.2873 2.3052 2.6258 2.7021 3.2306 3.2424 3.3666 3.4127 3.6122 3.6703 3.6705 3.7317 3.7984 3.8679 3.9424 3.9652 4.1398 4.2074 4.3460 4.3938 4.5300 4.5348 4.5919 4.6019 4.6105 4.7123 4.7833 4.8263 4.8851 4.9764 5.2610 5.3347 5.4645 5.5083 5.9226 6.0555 6.9993 7.2073 7.2287 7.3596 10.3041 10.3053 11.7566 11.8037 11.8278 11.8813 12.0951 12.1010 12.5392 12.6707 k = 0.2857 0.2857 0.2857 ( 4134 PWs) bands (ev): -5.1800 -5.1795 -4.7517 -4.7488 1.8861 1.9460 2.3124 2.3304 2.6602 2.7344 3.2275 3.2396 3.3643 3.4082 3.6070 3.6605 3.6616 3.7332 3.7905 3.8729 3.9360 3.9565 4.1316 4.2023 4.3539 4.3920 4.5383 4.5432 4.5952 4.6021 4.6149 4.7189 4.7878 4.8260 4.8944 4.9791 5.2669 5.3421 5.4685 5.4984 5.9479 6.1104 7.0054 7.2020 7.2599 7.3716 10.2985 10.2987 11.7105 11.7791 11.8121 11.8804 12.0461 12.0512 12.4251 12.5427 k = 0.2768 0.2768 0.2768 ( 4140 PWs) bands (ev): -5.1971 -5.1966 -4.7535 -4.7505 1.9050 1.9654 2.3387 2.3565 2.6940 2.7659 3.2262 3.2383 3.3632 3.4046 3.6021 3.6510 3.6533 3.7348 3.7832 3.8774 3.9299 3.9492 4.1236 4.1969 4.3621 4.3911 4.5462 4.5509 4.5994 4.6029 4.6205 4.7259 4.7916 4.8250 4.9035 4.9816 5.2725 5.3487 5.4686 5.4867 5.9770 6.1661 7.0047 7.1874 7.2885 7.3786 10.2916 10.2924 11.6607 11.7250 11.8181 11.8810 12.0135 12.0153 12.3185 12.4184 k = 0.2679 0.2679 0.2679 ( 4134 PWs) bands (ev): -5.2145 -5.2141 -4.7551 -4.7520 1.9253 1.9864 2.3660 2.3834 2.7268 2.7964 3.2267 3.2383 3.3633 3.4020 3.5978 3.6421 3.6457 3.7364 3.7764 3.8804 3.9240 3.9439 4.1160 4.1915 4.3704 4.3911 4.5532 4.5577 4.6045 4.6045 4.6273 4.7332 4.7948 4.8235 4.9121 4.9840 5.2781 5.3546 5.4658 5.4738 6.0088 6.2217 6.9971 7.1646 7.3144 7.3820 10.2806 10.2825 11.6069 11.6673 11.8127 11.8763 11.9964 12.0003 12.2285 12.3041 k = 0.2589 0.2589 0.2589 ( 4134 PWs) bands (ev): -5.2323 -5.2319 -4.7564 -4.7533 1.9470 2.0088 2.3942 2.4110 2.7585 2.8259 3.2289 3.2396 3.3644 3.4003 3.5940 3.6338 3.6387 3.7380 3.7702 3.8811 3.9185 3.9414 4.1087 4.1863 4.3789 4.3919 4.5589 4.5637 4.6075 4.6103 4.6354 4.7407 4.7975 4.8214 4.9204 4.9862 5.2835 5.3596 5.4602 5.4612 6.0422 6.2766 6.9823 7.1344 7.3374 7.3826 10.2626 10.2655 11.5492 11.6061 11.7796 11.8546 12.0003 12.0087 12.1688 12.2121 k = 0.2500 0.2500 0.2500 ( 4121 PWs) bands (ev): -5.2503 -5.2500 -4.7576 -4.7544 1.9700 2.0327 2.4231 2.4392 2.7890 2.8542 3.2327 3.2423 3.3665 3.3996 3.5909 3.6262 3.6323 3.7395 3.7649 3.8788 3.9133 3.9423 4.1017 4.1813 4.3872 4.3935 4.5629 4.5690 4.6122 4.6169 4.6447 4.7486 4.7998 4.8188 4.9284 4.9881 5.2890 5.3633 5.4462 5.4559 6.0763 6.3302 6.9607 7.0982 7.3575 7.3815 10.2354 10.2391 11.4878 11.5415 11.7102 11.8001 12.0288 12.0398 12.1480 12.1588 k = 0.2411 0.2411 0.2411 ( 4133 PWs) bands (ev): -5.2685 -5.2682 -4.7585 -4.7552 1.9942 2.0579 2.4526 2.4677 2.8181 2.8812 3.2379 3.2462 3.3695 3.3997 3.5885 3.6192 3.6267 3.7408 3.7602 3.8736 3.9085 3.9462 4.0950 4.1768 4.3954 4.3958 4.5654 4.5738 4.6184 4.6240 4.6548 4.7566 4.8015 4.8157 4.9358 4.9898 5.2945 5.3653 5.4321 5.4510 6.1102 6.3821 6.9330 7.0573 7.3747 7.3791 10.1976 10.2018 11.4230 11.4735 11.6141 11.7109 12.0752 12.0934 12.1472 12.1642 k = 0.2321 0.2321 0.2321 ( 4130 PWs) bands (ev): -5.2868 -5.2866 -4.7591 -4.7559 2.0196 2.0844 2.4825 2.4965 2.8456 2.9067 3.2446 3.2514 3.3732 3.4008 3.5869 3.6129 3.6219 3.7419 3.7565 3.8665 3.9039 3.9524 4.0888 4.1729 4.3989 4.4031 4.5670 4.5783 4.6258 4.6317 4.6657 4.7649 4.8029 4.8121 4.9428 4.9912 5.3001 5.3650 5.4182 5.4477 6.1434 6.4320 6.9002 7.0129 7.3758 7.3888 10.1492 10.1536 11.3552 11.4018 11.5041 11.6011 12.1279 12.1643 12.1685 12.2157 k = 0.2232 0.2232 0.2232 ( 4124 PWs) bands (ev): -5.3052 -5.3051 -4.7595 -4.7563 2.0461 2.1122 2.5127 2.5253 2.8715 2.9308 3.2526 3.2579 3.3776 3.4027 3.5859 3.6074 3.6180 3.7430 3.7537 3.8581 3.8997 3.9602 4.0832 4.1698 4.4025 4.4103 4.5681 4.5825 4.6338 4.6399 4.6769 4.7734 4.8040 4.8082 4.9493 4.9923 5.3056 5.3618 5.4046 5.4468 6.1752 6.4796 6.8635 6.9664 7.3715 7.4000 10.0907 10.0949 11.2847 11.3261 11.3878 11.4832 12.1809 12.1986 12.2632 12.2999 k = 0.2143 0.2143 0.2143 ( 4118 PWs) bands (ev): -5.3236 -5.3235 -4.7597 -4.7565 2.0737 2.1412 2.5428 2.5540 2.8955 2.9533 3.2619 3.2656 3.3825 3.4054 3.5855 3.6024 3.6151 3.7440 3.7520 3.8488 3.8955 3.9691 4.0783 4.1674 4.4068 4.4166 4.5693 4.5866 4.6419 4.6484 4.6883 4.7821 4.8039 4.8049 4.9554 4.9930 5.3113 5.3558 5.3915 5.4485 6.2053 6.5248 6.8241 6.9190 7.3662 7.4082 10.0232 10.0271 11.2118 11.2455 11.2694 11.3645 12.2374 12.2448 12.3750 12.4077 k = 0.2054 0.2054 0.2054 ( 4106 PWs) bands (ev): -5.3419 -5.3418 -4.7597 -4.7565 2.1022 2.1712 2.5726 2.5822 2.9175 2.9742 3.2724 3.2745 3.3879 3.4089 3.5857 3.5980 3.6130 3.7449 3.7513 3.8391 3.8915 3.9789 4.0744 4.1657 4.4115 4.4218 4.5712 4.5904 4.6499 4.6572 4.6995 4.7910 4.7994 4.8057 4.9609 4.9935 5.3169 5.3478 5.3792 5.4524 6.2331 6.5672 6.7834 6.8721 7.3599 7.4136 9.9481 9.9514 11.1369 11.1509 11.1578 11.2507 12.3000 12.3003 12.5015 12.5326 k = 0.1964 0.1964 0.1964 ( 4124 PWs) bands (ev): -5.3601 -5.3600 -4.7595 -4.7563 2.1315 2.2022 2.6019 2.6098 2.9375 2.9935 3.2840 3.2847 3.3936 3.4130 3.5861 3.5941 3.6119 3.7458 3.7518 3.8291 3.8875 3.9893 4.0715 4.1647 4.4165 4.4257 4.5739 4.5940 4.6574 4.6660 4.7103 4.7946 4.8001 4.8063 4.9658 4.9936 5.3223 5.3383 5.3678 5.4576 6.2585 6.6068 6.7427 6.8269 7.3522 7.4160 9.8667 9.8693 11.0339 11.0600 11.0604 11.1467 12.3640 12.3692 12.6404 12.6707 k = 0.1875 0.1875 0.1875 ( 4124 PWs) bands (ev): -5.3780 -5.3779 -4.7591 -4.7560 2.1617 2.2341 2.6305 2.6365 2.9553 3.0111 3.2961 3.2967 3.3995 3.4177 3.5869 3.5907 3.6119 3.7467 3.7535 3.8192 3.8836 4.0004 4.0699 4.1644 4.4218 4.4280 4.5779 4.5973 4.6643 4.6748 4.7203 4.7896 4.8069 4.8095 4.9700 4.9935 5.3275 5.3281 5.3575 5.4637 6.2810 6.6436 6.7031 6.7847 7.3434 7.4158 9.7802 9.7818 10.9193 10.9533 10.9826 11.0528 12.4352 12.4452 12.7894 12.8195 k = 0.1786 0.1786 0.1786 ( 4127 PWs) bands (ev): -5.3956 -5.3955 -4.7585 -4.7555 2.1925 2.2668 2.6580 2.6622 2.9709 3.0271 3.3088 3.3105 3.4056 3.4229 3.5876 3.5879 3.6127 3.7477 3.7564 3.8095 3.8797 4.0118 4.0696 4.1645 4.4272 4.4288 4.5833 4.6003 4.6705 4.6836 4.7292 4.7845 4.8077 4.8191 4.9736 4.9931 5.3177 5.3323 5.3484 5.4698 6.3004 6.6658 6.6774 6.7470 7.3331 7.4129 9.6894 9.6900 10.8078 10.8432 10.9038 10.9647 12.5136 12.5276 12.9466 12.9765 k = 0.1696 0.1696 0.1696 ( 4121 PWs) bands (ev): -5.4129 -5.4128 -4.7578 -4.7548 2.2239 2.3002 2.6843 2.6866 2.9842 3.0415 3.3228 3.3254 3.4119 3.4285 3.5855 3.5883 3.6145 3.7486 3.7607 3.8004 3.8761 4.0236 4.0707 4.1650 4.4280 4.4327 4.5899 4.6029 4.6759 4.6922 4.7368 4.7793 4.8086 4.8289 4.9765 4.9925 5.3074 5.3366 5.3407 5.4755 6.3167 6.6319 6.7083 6.7149 7.3215 7.4076 9.5949 9.5954 10.7000 10.7340 10.8246 10.8792 12.5988 12.6164 13.1100 13.1400 k = 0.1607 0.1607 0.1607 ( 4121 PWs) bands (ev): -5.4297 -5.4296 -4.7569 -4.7540 2.2558 2.3342 2.7091 2.7094 2.9952 3.0542 3.3380 3.3412 3.4183 3.4342 3.5837 3.5887 3.6172 3.7494 3.7662 3.7919 3.8730 4.0355 4.0733 4.1658 4.4257 4.4378 4.5977 4.6051 4.6806 4.7006 4.7428 4.7742 4.8098 4.8387 4.9784 4.9919 5.2973 5.3345 5.3400 5.4801 6.3298 6.6024 6.6894 6.7364 7.3085 7.3999 9.4972 9.4989 10.5965 10.6279 10.7454 10.7952 12.6905 12.7113 13.2775 13.3078 k = 0.1518 0.1518 0.1518 ( 4121 PWs) bands (ev): -5.4460 -5.4460 -4.7559 -4.7531 2.2882 2.3686 2.7305 2.7323 3.0038 3.0654 3.3543 3.3579 3.4248 3.4401 3.5825 3.5887 3.6205 3.7501 3.7730 3.7844 3.8705 4.0472 4.0772 4.1668 4.4221 4.4426 4.6062 4.6068 4.6848 4.7086 4.7470 4.7690 4.8114 4.8483 4.9796 4.9914 5.2877 5.3297 5.3423 5.4831 6.3405 6.5782 6.6712 6.7618 7.2942 7.3899 9.3975 9.4004 10.4975 10.5259 10.6665 10.7125 12.7886 12.8121 13.4473 13.4782 k = 0.1429 0.1429 0.1429 ( 4118 PWs) bands (ev): -5.4617 -5.4617 -4.7548 -4.7521 2.3208 2.4034 2.7498 2.7536 3.0101 3.0749 3.3716 3.3754 3.4315 3.4457 3.5818 3.5880 3.6245 3.7505 3.7780 3.7811 3.8690 4.0585 4.0825 4.1682 4.4173 4.4466 4.6080 4.6146 4.6890 4.7161 4.7495 4.7639 4.8136 4.8576 4.9798 4.9912 5.2786 5.3262 5.3435 5.4839 6.3495 6.5600 6.6605 6.7846 7.2785 7.3779 9.2965 9.3005 10.4037 10.4289 10.5883 10.6310 12.8929 12.9185 13.6172 13.6491 k = 0.1339 0.1339 0.1339 ( 4118 PWs) bands (ev): -5.4768 -5.4768 -4.7536 -4.7511 2.3536 2.4384 2.7672 2.7732 3.0139 3.0827 3.3895 3.3937 3.4386 3.4512 3.5816 3.5868 3.6290 3.7505 3.7731 3.7904 3.8685 4.0688 4.0889 4.1701 4.4115 4.4497 4.6086 4.6220 4.6942 4.7229 4.7503 4.7589 4.8164 4.8662 4.9791 4.9916 5.2698 5.3240 5.3433 5.4821 6.3584 6.5483 6.6569 6.8050 7.2617 7.3639 9.1945 9.1997 10.3152 10.3373 10.5114 10.5510 13.0029 13.0304 13.7843 13.8180 k = 0.1250 0.1250 0.1250 ( 4118 PWs) bands (ev): -5.4913 -5.4913 -4.7524 -4.7500 2.3866 2.4734 2.7826 2.7908 3.0153 3.0889 3.4075 3.4124 3.4465 3.4563 3.5818 3.5849 3.6339 3.7503 3.7698 3.8009 3.8693 4.0775 4.0966 4.1730 4.4050 4.4516 4.6087 4.6269 4.7014 4.7290 4.7493 4.7541 4.8199 4.8740 4.9775 4.9929 5.2614 5.3228 5.3418 5.4775 6.3686 6.5436 6.6596 6.8233 7.2437 7.3482 9.0922 9.0986 10.2323 10.2517 10.4360 10.4730 13.1184 13.1472 13.9454 13.9823 k = 0.1161 0.1161 0.1161 ( 4112 PWs) bands (ev): -5.5050 -5.5049 -4.7511 -4.7488 2.4196 2.5084 2.7961 2.8067 3.0142 3.0932 3.4245 3.4314 3.4560 3.4611 3.5823 3.5826 3.6390 3.7496 3.7686 3.8124 3.8714 4.0838 4.1053 4.1774 4.3980 4.4521 4.6081 4.6283 4.7114 4.7344 4.7467 4.7497 4.8239 4.8808 4.9751 4.9957 5.2530 5.3222 5.3390 5.4700 6.3814 6.5457 6.6679 6.8398 7.2246 7.3308 8.9900 8.9975 10.1555 10.1722 10.3627 10.3971 13.2390 13.2687 14.0959 14.1250 k = 0.1071 0.1071 0.1071 ( 4112 PWs) bands (ev): -5.5178 -5.5178 -4.7499 -4.7477 2.4525 2.5431 2.8076 2.8209 3.0107 3.0957 3.4386 3.4503 3.4656 3.4687 3.5801 3.5827 3.6442 3.7485 3.7695 3.8249 3.8748 4.0871 4.1149 4.1837 4.3906 4.4511 4.6068 4.6260 4.7232 4.7391 4.7427 4.7467 4.8280 4.8865 4.9719 5.0004 5.2444 5.3220 5.3351 5.4599 6.3976 6.5547 6.6810 6.8547 7.2048 7.3120 8.8884 8.8970 10.0848 10.0992 10.2917 10.3239 13.3643 13.3944 14.2279 14.2311 k = 0.0982 0.0982 0.0982 ( 4103 PWs) bands (ev): -5.5299 -5.5299 -4.7486 -4.7466 2.4852 2.5774 2.8174 2.8335 3.0049 3.0963 3.4494 3.4685 3.4699 3.4847 3.5777 3.5827 3.6496 3.7470 3.7730 3.8382 3.8793 4.0872 4.1256 4.1921 4.3830 4.4485 4.6046 4.6202 4.7307 4.7376 4.7433 4.7510 4.8319 4.8912 4.9681 5.0075 5.2352 5.3217 5.3306 5.4477 6.4176 6.5699 6.6986 6.8686 7.1842 7.2919 8.7879 8.7976 10.0205 10.0330 10.2236 10.2536 13.4938 13.5238 14.3325 14.3497 k = 0.0893 0.0893 0.0893 ( 4115 PWs) bands (ev): -5.5410 -5.5410 -4.7474 -4.7455 2.5177 2.6110 2.8254 2.8449 2.9967 3.0948 3.4577 3.4742 3.4852 3.5027 3.5761 3.5821 3.6548 3.7451 3.7790 3.8520 3.8847 4.0839 4.1371 4.2024 4.3753 4.4443 4.6014 4.6115 4.7293 4.7315 4.7471 4.7665 4.8349 4.8947 4.9640 5.0174 5.2253 5.3209 5.3255 5.4338 6.4410 6.5905 6.7204 6.8816 7.1632 7.2707 8.6892 8.6998 9.9627 9.9736 10.1586 10.1867 13.6269 13.6561 14.4374 14.4550 k = 0.0804 0.0804 0.0804 ( 4106 PWs) bands (ev): -5.5512 -5.5512 -4.7462 -4.7445 2.5498 2.6437 2.8318 2.8552 2.9863 3.0912 3.4649 3.4787 3.4996 3.5213 3.5762 3.5806 3.6600 3.7428 3.7876 3.8661 3.8910 4.0777 4.1495 4.2141 4.3678 4.4386 4.5971 4.6006 4.7249 4.7253 4.7510 4.7865 4.8366 4.8973 4.9599 5.0303 5.2142 5.3192 5.3205 5.4189 6.4675 6.6156 6.7462 6.8943 7.1422 7.2485 8.5929 8.6043 9.9116 9.9213 10.0972 10.1234 13.7629 13.7906 14.5408 14.5487 k = 0.0714 0.0714 0.0714 ( 4112 PWs) bands (ev): -5.5605 -5.5605 -4.7450 -4.7435 2.5816 2.6752 2.8368 2.8649 2.9738 3.0854 3.4715 3.4833 3.5103 3.5393 3.5781 3.5788 3.6651 3.7401 3.7986 3.8803 3.8980 4.0690 4.1628 4.2268 4.3605 4.4313 4.5878 4.5913 4.7181 4.7209 4.7550 4.8082 4.8368 4.8990 4.9560 5.0460 5.2016 5.3157 5.3161 5.4036 6.4963 6.6436 6.7758 6.9070 7.1216 7.2256 8.4999 8.5119 9.8672 9.8761 10.0397 10.0641 13.9008 13.9264 14.6283 14.6405 k = 0.0625 0.0625 0.0625 ( 4109 PWs) bands (ev): -5.5687 -5.5687 -4.7440 -4.7427 2.6128 2.7052 2.8405 2.8743 2.9593 3.0775 3.4776 3.4883 3.5169 3.5564 3.5746 3.5845 3.6701 3.7371 3.8118 3.8940 3.9054 4.0580 4.1769 4.2403 4.3535 4.4228 4.5739 4.5841 4.7117 4.7164 4.7593 4.8306 4.8355 4.9001 4.9530 5.0643 5.1876 5.3113 5.3115 5.3885 6.5266 6.6727 6.8088 6.9200 7.1022 7.2021 8.4112 8.4235 9.8297 9.8381 9.9863 10.0091 14.0397 14.0620 14.6892 14.7250 k = 0.0536 0.0536 0.0536 ( 4097 PWs) bands (ev): -5.5759 -5.5759 -4.7430 -4.7419 2.6435 2.7332 2.8430 2.8839 2.9429 3.0675 3.4833 3.4937 3.5198 3.5703 3.5720 3.5923 3.6751 3.7336 3.8270 3.9070 3.9130 4.0451 4.1919 4.2541 4.3467 4.4131 4.5595 4.5754 4.7060 4.7122 4.7641 4.8329 4.8526 4.9008 4.9518 5.0846 5.1718 5.3046 5.3082 5.3739 6.5576 6.7007 6.8445 6.9336 7.0847 7.1782 8.3280 8.3404 9.7990 9.8073 9.9376 9.9587 14.1781 14.1959 14.7300 14.7567 k = 0.0446 0.0446 0.0446 ( 4103 PWs) bands (ev): -5.5820 -5.5820 -4.7422 -4.7412 2.6736 2.7585 2.8442 2.8944 2.9248 3.0554 3.4886 3.4994 3.5202 3.5651 3.5859 3.6009 3.6800 3.7297 3.8438 3.9186 3.9205 4.0305 4.2076 4.2682 4.3399 4.4024 4.5455 4.5653 4.7013 4.7082 4.7692 4.8290 4.8726 4.9011 4.9539 5.1063 5.1543 5.2957 5.3058 5.3604 6.5886 6.7248 6.8817 6.9482 7.0702 7.1541 8.2518 8.2639 9.7752 9.7836 9.8937 9.9132 14.3143 14.3258 14.7551 14.7768 k = 0.0357 0.0357 0.0357 ( 4115 PWs) bands (ev): -5.5871 -5.5871 -4.7415 -4.7407 2.7031 2.7806 2.8443 2.9050 2.9062 3.0414 3.4935 3.5055 3.5192 3.5593 3.5978 3.6088 3.6849 3.7254 3.8617 3.9276 3.9284 4.0143 4.2238 4.2825 4.3326 4.3908 4.5330 4.5543 4.6977 4.7045 4.7748 4.8243 4.8878 4.9013 4.9616 5.1290 5.1351 5.2846 5.3047 5.3480 6.6191 6.7422 6.9191 6.9638 7.0595 7.1301 8.1847 8.1958 9.7581 9.7670 9.8550 9.8730 14.4460 14.4489 14.7696 14.7892 k = 0.0268 0.0268 0.0268 ( 4115 PWs) bands (ev): -5.5910 -5.5910 -4.7409 -4.7403 2.7317 2.7989 2.8434 2.8838 2.9201 3.0257 3.4981 3.5119 3.5174 3.5530 3.6075 3.6154 3.6900 3.7208 3.8807 3.9340 3.9362 3.9970 4.2406 4.2967 4.3243 4.3786 4.5232 4.5431 4.6954 4.7012 4.7807 4.8188 4.8968 4.9015 4.9764 5.1142 5.1520 5.2711 5.3048 5.3371 6.6486 6.7508 6.9545 6.9807 7.0525 7.1063 8.1290 8.1384 9.7479 9.7574 9.8217 9.8382 14.5614 14.5705 14.7773 14.7972 k = 0.0179 0.0179 0.0179 ( 4115 PWs) bands (ev): -5.5939 -5.5939 -4.7404 -4.7400 2.7596 2.8133 2.8411 2.8613 2.9360 3.0087 3.5022 3.5151 3.5186 3.5464 3.6149 3.6200 3.6951 3.7159 3.9002 3.9393 3.9416 3.9787 4.2573 4.3109 4.3145 4.3658 4.5171 4.5325 4.6942 4.6985 4.7870 4.8129 4.9008 4.9017 4.9968 5.0919 5.1748 5.2554 5.3063 5.3277 6.6764 6.7498 6.9860 6.9988 7.0473 7.0831 8.0872 8.0941 9.7443 9.7546 9.7940 9.8092 14.6583 14.6840 14.7801 14.8041 k = 0.0089 0.0089 0.0089 ( 4127 PWs) bands (ev): -5.5956 -5.5956 -4.7401 -4.7399 2.7865 2.8241 2.8374 2.8374 2.9535 2.9905 3.5060 3.5124 3.5255 3.5395 3.6199 3.6223 3.7003 3.7108 3.9200 3.9430 3.9444 3.9595 4.2736 4.3026 4.3250 4.3525 4.5152 4.5237 4.6940 4.6963 4.7935 4.8065 4.9020 4.9021 5.0200 5.0684 5.1970 5.2376 5.3093 5.3199 6.7017 6.7400 7.0114 7.0183 7.0408 7.0605 8.0616 8.0653 9.7472 9.7586 9.7723 9.7861 14.7312 14.7785 14.7824 14.8159 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -5.5961 -5.5961 -4.7399 -4.7399 2.8125 2.8125 2.8319 2.8319 2.9719 2.9719 3.5093 3.5093 3.5325 3.5325 3.6223 3.6223 3.7056 3.7056 3.9399 3.9399 3.9448 3.9448 4.2888 4.2888 4.3388 4.3388 4.5175 4.5175 4.6947 4.6947 4.8000 4.8000 4.9022 4.9022 5.0442 5.0442 5.2180 5.2180 5.3138 5.3138 6.7234 6.7234 7.0295 7.0295 7.0388 7.0388 8.0542 8.0542 9.7566 9.7566 9.7692 9.7692 14.7680 14.7680 14.8430 14.8430 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -5.5961 -5.5961 -4.7399 -4.7399 2.8125 2.8125 2.8319 2.8319 2.9719 2.9719 3.5093 3.5093 3.5325 3.5325 3.6223 3.6223 3.7056 3.7056 3.9399 3.9399 3.9448 3.9448 4.2888 4.2888 4.3388 4.3388 4.5175 4.5175 4.6947 4.6947 4.8000 4.8000 4.9022 4.9022 5.0442 5.0442 5.2180 5.2180 5.3138 5.3138 6.7234 6.7234 7.0295 7.0295 7.0388 7.0388 8.0542 8.0542 9.7566 9.7566 9.7692 9.7692 14.7680 14.7680 14.8430 14.8430 k = 0.0109-0.0109-0.0000 ( 4123 PWs) bands (ev): -5.5956 -5.5956 -4.7400 -4.7399 2.7958 2.8046 2.8290 2.8557 2.9563 2.9888 3.5034 3.5127 3.5313 3.5317 3.6203 3.6247 3.7029 3.7088 3.9303 3.9327 3.9515 3.9536 4.2781 4.2968 4.3390 4.3392 4.5099 4.5245 4.6820 4.7053 4.7996 4.7999 4.8812 4.9183 5.0385 5.0572 5.2211 5.2213 5.3113 5.3174 6.7134 6.7299 7.0220 7.0257 7.0355 7.0426 8.0615 8.0661 9.7573 9.7618 9.7726 9.7733 14.7076 14.7647 14.8157 14.8456 k = 0.0217-0.0217 0.0000 ( 4113 PWs) bands (ev): -5.5940 -5.5939 -4.7402 -4.7400 2.7676 2.7909 2.8342 2.8809 2.9426 3.0065 3.4948 3.5137 3.5268 3.5300 3.6192 3.6267 3.7004 3.7127 3.9172 3.9239 3.9601 3.9629 4.2650 4.3013 4.3392 4.3407 4.5018 4.5307 4.6679 4.7130 4.7976 4.8000 4.8612 4.9247 5.0420 5.0738 5.2298 5.2317 5.3097 5.3224 6.7005 6.7319 7.0049 7.0141 7.0244 7.0518 8.0873 8.0959 9.7641 9.7709 9.7828 9.7877 14.6278 14.6922 14.8104 14.8370 k = 0.0326-0.0326-0.0000 ( 4115 PWs) bands (ev): -5.5912 -5.5911 -4.7405 -4.7403 2.7377 2.7739 2.8380 2.9015 2.9343 3.0248 3.4837 3.5125 3.5188 3.5279 3.6181 3.6284 3.6979 3.7174 3.9034 3.9153 3.9673 3.9713 4.2502 4.3022 4.3392 4.3435 4.4932 4.5359 4.6531 4.7170 4.7925 4.8006 4.8469 4.9228 5.0509 5.0914 5.2434 5.2487 5.3099 5.3303 6.6844 6.7274 6.9751 7.0017 7.0124 7.0623 8.1297 8.1414 9.7753 9.7837 9.8011 9.8124 14.5359 14.6039 14.7936 14.8245 k = 0.0435-0.0435 0.0000 ( 4112 PWs) bands (ev): -5.5874 -5.5872 -4.7410 -4.7406 2.7068 2.7541 2.8400 2.9049 2.9435 3.0433 3.4707 3.5048 3.5124 3.5256 3.6157 3.6303 3.6953 3.7227 3.8892 3.9068 3.9722 3.9792 4.2342 4.3002 4.3390 4.3473 4.4847 4.5400 4.6384 4.7171 4.7842 4.8016 4.8400 4.9172 5.0596 5.1081 5.2596 5.2688 5.3154 5.3440 6.6640 6.7146 6.9391 6.9847 7.0057 7.0736 8.1860 8.1998 9.7902 9.8008 9.8284 9.8462 14.4343 14.5049 14.7672 14.8055 k = 0.0543-0.0543 0.0000 ( 4104 PWs) bands (ev): -5.5825 -5.5822 -4.7415 -4.7410 2.6752 2.7317 2.8401 2.8965 2.9647 3.0620 3.4562 3.4902 3.5085 3.5229 3.6111 3.6319 3.6931 3.7280 3.8753 3.8984 3.9746 3.9862 4.2179 4.2964 4.3388 4.3510 4.4764 4.5429 4.6246 4.7137 4.7750 4.8030 4.8383 4.9109 5.0661 5.1226 5.2729 5.2837 5.3345 5.3675 6.6378 6.6919 6.9010 6.9700 7.0019 7.0856 8.2534 8.2686 9.8090 9.8219 9.8647 9.8884 14.3246 14.3966 14.7301 14.7778 k = 0.0652-0.0652-0.0000 ( 4100 PWs) bands (ev): -5.5765 -5.5762 -4.7422 -4.7416 2.6429 2.7071 2.8383 2.8866 2.9873 3.0805 3.4403 3.4731 3.5039 3.5197 3.6044 3.6317 3.6921 3.7326 3.8623 3.8898 3.9747 3.9917 4.2023 4.2915 4.3387 4.3543 4.4688 4.5444 4.6123 4.7080 4.7666 4.8044 4.8390 4.9054 5.0713 5.1345 5.2784 5.2931 5.3679 5.4019 6.6041 6.6598 6.8646 6.9595 7.0009 7.0984 8.3293 8.3455 9.8319 9.8472 9.9093 9.9386 14.2083 14.2807 14.6794 14.7374 k = 0.0761-0.0761-0.0000 ( 4108 PWs) bands (ev): -5.5695 -5.5692 -4.7429 -4.7423 2.6100 2.6805 2.8347 2.8768 3.0095 3.0988 3.4230 3.4541 3.4982 3.5158 3.5960 3.6288 3.6928 3.7356 3.8505 3.8810 3.9724 3.9951 4.1885 4.2863 4.3388 4.3565 4.4619 4.5443 4.6018 4.7014 4.7592 4.8055 4.8402 4.9011 5.0761 5.1441 5.2787 5.3010 5.4089 5.4445 6.5622 6.6195 6.8334 6.9524 7.0034 7.1119 8.4119 8.4287 9.8588 9.8764 9.9616 9.9961 14.0868 14.1585 14.6125 14.6786 k = 0.0870-0.0870 0.0000 ( 4112 PWs) bands (ev): -5.5615 -5.5611 -4.7438 -4.7430 2.5764 2.6523 2.8291 2.8674 3.0309 3.1168 3.4047 3.4339 3.4915 3.5110 3.5860 3.6231 3.6953 3.7363 3.8408 3.8721 3.9680 3.9964 4.1776 4.2813 4.3391 4.3577 4.4561 4.5425 4.5936 4.6950 4.7523 4.8064 4.8407 4.8980 5.0814 5.1523 5.2772 5.3089 5.4535 5.4920 6.5134 6.5728 6.8089 6.9467 7.0097 7.1262 8.4994 8.5169 9.8899 9.9098 10.0211 10.0604 13.9617 14.0320 14.5307 14.6002 k = 0.0978-0.0978-0.0000 ( 4118 PWs) bands (ev): -5.5525 -5.5521 -4.7447 -4.7439 2.5423 2.6226 2.8215 2.8584 3.0513 3.1343 3.3851 3.4128 3.4839 3.5050 3.5747 3.6155 3.6985 3.7341 3.8328 3.8637 3.9617 3.9958 4.1701 4.2766 4.3394 4.3582 4.4514 4.5391 4.5875 4.6890 4.7459 4.8068 4.8402 4.8958 5.0872 5.1597 5.2755 5.3177 5.4998 5.5423 6.4598 6.5214 6.7908 6.9414 7.0195 7.1413 8.5905 8.6088 9.9250 9.9470 10.0873 10.1310 13.8345 13.9030 14.4394 14.5084 k = 0.1087-0.1087-0.0000 ( 4122 PWs) bands (ev): -5.5426 -5.5422 -4.7457 -4.7448 2.5076 2.5916 2.8121 2.8496 3.0705 3.1511 3.3645 3.3912 3.4753 3.4976 3.5624 3.6071 3.7014 3.7292 3.8259 3.8569 3.9537 3.9938 4.1659 4.2724 4.3391 4.3586 4.4477 4.5345 4.5831 4.6835 4.7399 4.8065 4.8387 4.8942 5.0929 5.1667 5.2749 5.3284 5.5466 5.5937 6.4035 6.4673 6.7779 6.9361 7.0321 7.1570 8.6840 8.7034 9.9640 9.9881 10.1596 10.2073 13.7069 13.7732 14.3436 14.4106 k = 0.1196-0.1196-0.0000 ( 4106 PWs) bands (ev): -5.5318 -5.5313 -4.7468 -4.7458 2.4726 2.5596 2.8011 2.8407 3.0885 3.1669 3.3429 3.3694 3.4660 3.4886 3.5496 3.5987 3.7021 3.7228 3.8188 3.8534 3.9444 3.9915 4.1645 4.2685 4.3373 4.3602 4.4447 4.5293 4.5800 4.6782 4.7346 4.8055 4.8363 4.8929 5.0979 5.1731 5.2769 5.3415 5.5931 5.6451 6.3462 6.4126 6.7690 6.9306 7.0469 7.1736 8.7791 8.7997 10.0068 10.0328 10.2376 10.2886 13.5804 13.6445 14.2467 14.3114 k = 0.1304-0.1304-0.0000 ( 4110 PWs) bands (ev): -5.5201 -5.5196 -4.7479 -4.7469 2.4371 2.5267 2.7887 2.8315 3.1049 3.1814 3.3206 3.3475 3.4561 3.4778 3.5366 3.5907 3.6978 3.7178 3.8113 3.8531 3.9341 3.9896 4.1648 4.2649 4.3337 4.3635 4.4421 4.5239 4.5776 4.6728 4.7300 4.8035 4.8334 4.8916 5.1011 5.1779 5.2834 5.3574 5.6384 5.6955 6.2891 6.3590 6.7631 6.9251 7.0633 7.1909 8.8747 8.8966 10.0532 10.0809 10.3207 10.3744 13.4564 13.5185 14.1505 14.2128 k = 0.1413-0.1413 0.0000 ( 4118 PWs) bands (ev): -5.5077 -5.5071 -4.7491 -4.7481 2.4012 2.4929 2.7750 2.8217 3.1195 3.1941 3.2982 3.3259 3.4455 3.4654 3.5239 3.5831 3.6877 3.7153 3.8044 3.8552 3.9230 3.9885 4.1661 4.2614 4.3289 4.3684 4.4396 4.5186 4.5755 4.6673 4.7262 4.8004 4.8301 4.8902 5.1024 5.1799 5.2958 5.3763 5.6817 5.7437 6.2334 6.3081 6.7595 6.9195 7.0807 7.2089 8.9698 8.9932 10.1028 10.1322 10.4085 10.4641 13.3363 13.3966 14.0557 14.1159 k = 0.1522-0.1522-0.0000 ( 4118 PWs) bands (ev): -5.4945 -5.4939 -4.7504 -4.7493 2.3650 2.4585 2.7602 2.8111 3.1317 3.2040 3.2765 3.3053 3.4347 3.4522 3.5115 3.5756 3.6745 3.7135 3.7988 3.8584 3.9117 3.9885 4.1674 4.2583 4.3237 4.3744 4.4370 4.5137 4.5736 4.6618 4.7233 4.7963 4.8267 4.8887 5.1017 5.1787 5.3146 5.3980 5.7220 5.7885 6.1801 6.2621 6.7577 6.9140 7.0990 7.2277 9.0634 9.0884 10.1553 10.1863 10.5008 10.5571 13.2215 13.2802 13.9628 14.0212 k = 0.1630-0.1630 0.0000 ( 4130 PWs) bands (ev): -5.4807 -5.4800 -4.7517 -4.7506 2.3287 2.4236 2.7442 2.7995 3.1406 3.2095 3.2569 3.2868 3.4238 3.4387 3.4992 3.5678 3.6606 3.7117 3.7944 3.8609 3.9016 3.9897 4.1681 4.2554 4.3188 4.3810 4.4342 4.5093 4.5716 4.6561 4.7209 4.7911 4.8233 4.8871 5.0993 5.1748 5.3387 5.4224 5.7579 5.8283 6.1305 6.2235 6.7573 6.9087 7.1176 7.2470 9.1542 9.1812 10.2104 10.2428 10.5970 10.6532 13.1129 13.1705 13.8715 13.9286 k = 0.1739-0.1739 0.0000 ( 4130 PWs) bands (ev): -5.4662 -5.4655 -4.7530 -4.7519 2.2922 2.3883 2.7271 2.7869 3.1446 3.2083 3.2408 3.2731 3.4128 3.4260 3.4871 3.5593 3.6476 3.7100 3.7906 3.8590 3.8962 3.9920 4.1677 4.2530 4.3148 4.3877 4.4315 4.5055 4.5695 4.6507 4.7188 4.7852 4.8199 4.8853 5.0957 5.1691 5.3669 5.4490 5.7870 5.8603 6.0869 6.1955 6.7581 6.9035 7.1367 7.2671 9.2411 9.2703 10.2675 10.3010 10.6969 10.7517 13.0118 13.0685 13.7814 13.8380 k = 0.1848-0.1848 0.0000 ( 4126 PWs) bands (ev): -5.4512 -5.4505 -4.7544 -4.7531 2.2557 2.3528 2.7090 2.7732 3.1418 3.1999 3.2287 3.2658 3.4019 3.4148 3.4751 3.5496 3.6364 3.7088 3.7866 3.8506 3.8979 3.9952 4.1659 4.2511 4.3124 4.3937 4.4295 4.5024 4.5673 4.6455 4.7168 4.7786 4.8164 4.8833 5.0913 5.1624 5.3979 5.4770 5.8064 5.8806 6.0537 6.1818 6.7598 6.8986 7.1558 7.2876 9.3226 9.3545 10.3259 10.3603 10.8004 10.8524 12.9191 12.9753 13.6914 13.7490 k = 0.1957-0.1957 0.0000 ( 4132 PWs) bands (ev): -5.4357 -5.4350 -4.7557 -4.7544 2.2194 2.3171 2.6898 2.7582 3.1319 3.1862 3.2211 3.2628 3.3910 3.4056 3.4633 3.5390 3.6273 3.7084 3.7812 3.8385 3.9043 3.9990 4.1627 4.2494 4.3120 4.3974 4.4293 4.4998 4.5648 4.6408 4.7145 4.7715 4.8127 4.8811 5.0861 5.1551 5.4303 5.5054 5.8139 5.8840 6.0380 6.1840 6.7621 6.8941 7.1750 7.3086 9.3976 9.4326 10.3847 10.4198 10.9070 10.9550 12.8355 12.8916 13.6001 13.6609 k = 0.2065-0.2065-0.0000 ( 4130 PWs) bands (ev): -5.4198 -5.4190 -4.7570 -4.7557 2.1832 2.2815 2.6695 2.7418 3.1173 3.1693 3.2169 3.2606 3.3803 3.3986 3.4522 3.5283 3.6200 3.7087 3.7734 3.8263 3.9128 4.0034 4.1583 4.2480 4.3138 4.3977 4.4321 4.4977 4.5622 4.6366 4.7116 4.7642 4.8089 4.8788 5.0806 5.1476 5.4629 5.5323 5.8113 5.8701 6.0428 6.2002 6.7649 6.8900 7.1941 7.3299 9.4648 9.5032 10.4430 10.4783 11.0167 11.0592 12.7618 12.8179 13.5062 13.5729 k = 0.2174-0.2174-0.0000 ( 4124 PWs) bands (ev): -5.4036 -5.4028 -4.7582 -4.7570 2.1475 2.2461 2.6481 2.7239 3.1009 3.1513 3.2131 3.2576 3.3703 3.3929 3.4423 3.5184 3.6137 3.7099 3.7623 3.8165 3.9222 4.0082 4.1532 4.2466 4.3180 4.3952 4.4374 4.4962 4.5595 4.6329 4.7080 4.7567 4.8049 4.8763 5.0750 5.1403 5.4937 5.5549 5.8046 5.8476 6.0616 6.2263 6.7679 6.8864 7.2130 7.3514 9.5230 9.5651 10.4994 10.5345 11.1290 11.1650 12.6981 12.7548 13.4103 13.4849 k = 0.2283-0.2283-0.0000 ( 4128 PWs) bands (ev): -5.3872 -5.3863 -4.7594 -4.7581 2.1122 2.2111 2.6255 2.7045 3.0844 3.1334 3.2078 3.2531 3.3611 3.3873 3.4347 3.5101 3.6076 3.7115 3.7479 3.8097 3.9317 4.0135 4.1476 4.2454 4.3242 4.3909 4.4438 4.4950 4.5565 4.6297 4.7032 4.7493 4.8007 4.8736 5.0693 5.1332 5.5199 5.5692 5.8010 5.8267 6.0871 6.2583 6.7709 6.8835 7.2317 7.3729 9.5715 9.6174 10.5524 10.5866 11.2436 11.2723 12.6447 12.7023 13.3155 13.3974 k = 0.2391-0.2391-0.0000 ( 4122 PWs) bands (ev): -5.3706 -5.3697 -4.7605 -4.7592 2.0777 2.1766 2.6017 2.6835 3.0689 3.1163 3.2004 3.2469 3.3528 3.3808 3.4300 3.5041 3.6012 3.7122 3.7326 3.8057 3.9410 4.0193 4.1420 4.2444 4.3321 4.3861 4.4503 4.4941 4.5536 4.6271 4.6972 4.7423 4.7965 4.8707 5.0637 5.1265 5.5370 5.5726 5.8014 5.8199 6.1154 6.2938 6.7738 6.8815 7.2500 7.3943 9.6098 9.6591 10.6001 10.6328 11.3594 11.3813 12.6012 12.6602 13.2260 13.3132 k = 0.2500-0.2500-0.0000 ( 4140 PWs) bands (ev): -5.3540 -5.3531 -4.7614 -4.7602 2.0438 2.1427 2.5767 2.6608 3.0547 3.1001 3.1911 3.2390 3.3451 3.3731 3.4281 3.5004 3.5944 3.7046 3.7248 3.8038 3.9494 4.0257 4.1365 4.2439 4.3412 4.3813 4.4562 4.4936 4.5506 4.6249 4.6898 4.7357 4.7920 4.8676 5.0581 5.1202 5.5389 5.5667 5.8030 5.8367 6.1448 6.3311 6.7762 6.8804 7.2679 7.4155 9.6378 9.6900 10.6404 10.6707 11.4748 11.4925 12.5673 12.6280 13.1455 13.2359 k = 0.2609-0.2609-0.0000 ( 4128 PWs) bands (ev): -5.3374 -5.3365 -4.7623 -4.7611 2.0110 2.1097 2.5505 2.6367 3.0422 3.0851 3.1804 3.2299 3.3378 3.3645 3.4285 3.4988 3.5876 3.6876 3.7266 3.8036 3.9568 4.0329 4.1312 4.2439 4.3507 4.3774 4.4612 4.4934 4.5479 4.6231 4.6813 4.7297 4.7876 4.8644 5.0526 5.1145 5.5246 5.5547 5.8161 5.8666 6.1745 6.3694 6.7781 6.8806 7.2853 7.4363 9.6557 9.7101 10.6711 10.6982 11.5874 11.6067 12.5427 12.6049 13.0772 13.1688 k = 0.2717-0.2717-0.0000 ( 4136 PWs) bands (ev): -5.3210 -5.3200 -4.7630 -4.7618 1.9793 2.0777 2.5230 2.6109 3.0314 3.0711 3.1688 3.2198 3.3306 3.3556 3.4298 3.4985 3.5815 3.6690 3.7306 3.8046 3.9629 4.0408 4.1261 4.2445 4.3584 4.3765 4.4647 4.4934 4.5456 4.6215 4.6718 4.7241 4.7831 4.8610 5.0472 5.1092 5.5007 5.5360 5.8407 5.9034 6.2040 6.4083 6.7793 6.8820 7.3021 7.4566 9.6641 9.7200 10.6899 10.7132 11.6964 11.7225 12.5272 12.5900 13.0229 13.1134 k = 0.2826-0.2826 0.0000 ( 4132 PWs) bands (ev): -5.3047 -5.3037 -4.7635 -4.7624 1.9488 2.0468 2.4945 2.5838 3.0223 3.0583 3.1568 3.2096 3.3234 3.3467 3.4310 3.4987 3.5773 3.6506 3.7355 3.8068 3.9676 4.0494 4.1212 4.2456 4.3604 4.3825 4.4667 4.4936 4.5440 4.6199 4.6619 4.7189 4.7787 4.8575 5.0419 5.1043 5.4724 5.5121 5.8733 5.9442 6.2334 6.4475 6.7798 6.8850 7.3183 7.4762 9.6640 9.7204 10.6949 10.7142 11.8016 11.8365 12.5209 12.5827 12.9837 13.0695 k = 0.2935-0.2935-0.0000 ( 4142 PWs) bands (ev): -5.2888 -5.2878 -4.7639 -4.7628 1.9198 2.0172 2.4649 2.5553 3.0147 3.0462 3.1451 3.1995 3.3164 3.3380 3.4306 3.4988 3.5758 3.6335 3.7407 3.8097 3.9711 4.0585 4.1163 4.2472 4.3589 4.3928 4.4669 4.4939 4.5433 4.6179 4.6519 4.7139 4.7745 4.8538 5.0364 5.0998 5.4423 5.4854 5.9105 5.9872 6.2625 6.4868 6.7796 6.8895 7.3336 7.4950 9.6563 9.7124 10.6846 10.7009 11.9015 11.9452 12.5242 12.5826 12.9592 13.0350 k = 0.3043-0.3043-0.0000 ( 4130 PWs) bands (ev): -5.2733 -5.2722 -4.7640 -4.7629 1.8923 1.9890 2.4345 2.5257 3.0084 3.0349 3.1341 3.1904 3.3096 3.3298 3.4280 3.4985 3.5774 3.6185 3.7463 3.8132 3.9735 4.0679 4.1114 4.2491 4.3574 4.4041 4.4655 4.4942 4.5437 4.6151 4.6428 4.7092 4.7706 4.8501 5.0308 5.0957 5.4116 5.4574 5.9503 6.0312 6.2913 6.5262 6.7789 6.8958 7.3481 7.5129 9.6424 9.6975 10.6583 10.6738 11.9933 12.0443 12.5379 12.5900 12.9470 13.0074 k = 0.3152-0.3152 0.0000 ( 4136 PWs) bands (ev): -5.2583 -5.2572 -4.7639 -4.7629 1.8664 1.9622 2.4034 2.4952 3.0029 3.0241 3.1242 3.1824 3.3031 3.3219 3.4226 3.4974 3.5810 3.6071 3.7521 3.8171 3.9750 4.0772 4.1064 4.2511 4.3566 4.4150 4.4627 4.4946 4.5450 4.6103 4.6353 4.7045 4.7669 4.8463 5.0248 5.0918 5.3810 5.4293 5.9914 6.0752 6.3198 6.5654 6.7782 6.9039 7.3616 7.5298 9.6234 9.6768 10.6170 10.6342 12.0733 12.1281 12.5626 12.6057 12.9421 12.9869 k = 0.3261-0.3261 0.0000 ( 4136 PWs) bands (ev): -5.2438 -5.2428 -4.7636 -4.7627 1.8423 1.9371 2.3718 2.4638 2.9977 3.0140 3.1157 3.1759 3.2972 3.3145 3.4150 3.4946 3.5841 3.6021 3.7580 3.8213 3.9759 4.0857 4.1015 4.2530 4.3570 4.4245 4.4587 4.4956 4.5471 4.6034 4.6302 4.7000 4.7635 4.8426 5.0183 5.0881 5.3509 5.4018 6.0329 6.1186 6.3480 6.6039 6.7781 6.9139 7.3740 7.5455 9.6005 9.6517 10.5628 10.5832 12.1379 12.1912 12.5941 12.6329 12.9342 12.9824 k = 0.3370-0.3370-0.0000 ( 4140 PWs) bands (ev): -5.2300 -5.2290 -4.7631 -4.7622 1.8201 1.9136 2.3401 2.4320 2.9919 3.0047 3.1089 3.1711 3.2917 3.3076 3.4061 3.4892 3.5850 3.6055 3.7643 3.8257 3.9761 4.0900 4.1001 4.2547 4.3587 4.4317 4.4543 4.4977 4.5497 4.5951 4.6267 4.6958 4.7603 4.8391 5.0113 5.0845 5.3217 5.3752 6.0742 6.1607 6.3759 6.6405 6.7798 6.9262 7.3853 7.5600 9.5746 9.6233 10.4987 10.5226 12.1851 12.2317 12.6197 12.6730 12.9254 12.9996 k = 0.3478-0.3478-0.0000 ( 4140 PWs) bands (ev): -5.2170 -5.2159 -4.7623 -4.7615 1.7999 1.8919 2.3084 2.3998 2.9848 2.9967 3.1040 3.1681 3.2868 3.3014 3.3967 3.4808 3.5869 3.6130 3.7707 3.8300 3.9759 4.0857 4.1065 4.2561 4.3617 4.4346 4.4510 4.5013 4.5527 4.5864 4.6238 4.6919 4.7572 4.8359 5.0037 5.0809 5.2936 5.3499 6.1148 6.2010 6.4034 6.6728 6.7858 6.9409 7.3953 7.5730 9.5468 9.5927 10.4273 10.4545 12.2156 12.2527 12.6319 12.7068 12.9374 13.0370 k = 0.3587-0.3587 0.0000 ( 4136 PWs) bands (ev): -5.2047 -5.2036 -4.7614 -4.7605 1.7817 1.8718 2.2771 2.3676 2.9763 2.9900 3.1011 3.1667 3.2826 3.2958 3.3876 3.4702 3.5914 3.6218 3.7775 3.8344 3.9754 4.0788 4.1144 4.2572 4.3656 4.4321 4.4504 4.5063 4.5555 4.5782 4.6210 4.6886 4.7540 4.8333 4.9954 5.0771 5.2671 5.3260 6.1542 6.2390 6.4304 6.6966 6.8002 6.9584 7.4041 7.5845 9.5179 9.5606 10.3513 10.3810 12.2324 12.2599 12.6291 12.7112 12.9876 13.0944 k = 0.3696-0.3696 0.0000 ( 4136 PWs) bands (ev): -5.1932 -5.1922 -4.7602 -4.7594 1.7656 1.8535 2.2466 2.3355 2.9673 2.9835 3.1001 3.1665 3.2792 3.2910 3.3793 3.4583 3.5978 3.6308 3.7846 3.8387 3.9745 4.0710 4.1222 4.2581 4.3699 4.4265 4.4511 4.5121 4.5574 4.5716 4.6180 4.6859 4.7503 4.8313 4.9865 5.0730 5.2423 5.3038 6.1922 6.2744 6.4566 6.7094 6.8253 6.9792 7.4115 7.5943 9.4886 9.5280 10.2728 10.3044 12.2390 12.2582 12.6134 12.6907 13.0671 13.1685 k = 0.3804-0.3804-0.0000 ( 4130 PWs) bands (ev): -5.1826 -5.1817 -4.7589 -4.7581 1.7516 1.8368 2.2170 2.3038 2.9584 2.9768 3.1009 3.1673 3.2764 3.2871 3.3720 3.4460 3.6054 3.6394 3.7921 3.8430 3.9734 4.0624 4.1297 4.2587 4.3737 4.4207 4.4519 4.5182 4.5561 4.5691 4.6146 4.6842 4.7459 4.8301 4.9770 5.0683 5.2198 5.2833 6.2284 6.3069 6.4816 6.7138 6.8583 7.0033 7.4175 7.6023 9.4593 9.4953 10.1940 10.2267 12.2387 12.2512 12.5888 12.6585 13.1597 13.2534 k = 0.3913-0.3913-0.0000 ( 4136 PWs) bands (ev): -5.1730 -5.1720 -4.7574 -4.7567 1.7398 1.8218 2.1889 2.2729 2.9500 2.9699 3.1031 3.1684 3.2745 3.2840 3.3660 3.4338 3.6135 3.6473 3.7999 3.8472 3.9719 4.0533 4.1369 4.2591 4.3758 4.4162 4.4527 4.5240 4.5517 4.5702 4.6107 4.6834 4.7407 4.8297 4.9671 5.0626 5.2000 5.2645 6.2625 6.3362 6.5053 6.7135 6.8951 7.0310 7.4221 7.6083 9.4307 9.4631 10.1168 10.1498 12.2335 12.2414 12.5596 12.6219 13.2564 13.3438 k = 0.4022-0.4022 0.0000 ( 4140 PWs) bands (ev): -5.1642 -5.1634 -4.7559 -4.7553 1.7302 1.8082 2.1626 2.2430 2.9423 2.9627 3.1064 3.1695 3.2734 3.2818 3.3612 3.4221 3.6217 3.6543 3.8079 3.8512 3.9702 4.0436 4.1440 4.2593 4.3752 4.4136 4.4541 4.5290 4.5474 4.5723 4.6066 4.6836 4.7348 4.8297 4.9574 5.0558 5.1832 5.2473 6.2943 6.3625 6.5274 6.7108 6.9331 7.0621 7.4255 7.6121 9.4029 9.4317 10.0427 10.0753 12.2250 12.2306 12.5286 12.5843 13.3526 13.4352 k = 0.4130-0.4130-0.0000 ( 4136 PWs) bands (ev): -5.1564 -5.1556 -4.7543 -4.7537 1.7227 1.7961 2.1385 2.2143 2.9354 2.9555 3.1105 3.1701 3.2731 3.2805 3.3577 3.4113 3.6296 3.6604 3.8161 3.8552 3.9682 4.0337 4.1510 4.2590 4.3723 4.4125 4.4569 4.5325 4.5445 4.5743 4.6024 4.6840 4.7290 4.8297 4.9483 5.0476 5.1698 5.2319 6.3237 6.3855 6.5476 6.7067 6.9710 7.0956 7.4280 7.6134 9.3764 9.4015 9.9733 10.0048 12.2142 12.2199 12.4982 12.5476 13.4456 13.5238 k = 0.4239-0.4239-0.0000 ( 4132 PWs) bands (ev): -5.1496 -5.1489 -4.7527 -4.7522 1.7173 1.7851 2.1169 2.1872 2.9294 2.9485 3.1151 3.1700 3.2735 3.2802 3.3554 3.4015 3.6370 3.6654 3.8243 3.8591 3.9661 4.0236 4.1581 4.2579 4.3685 4.4112 4.4612 4.5336 4.5444 4.5759 4.5984 4.6835 4.7245 4.8290 4.9407 5.0380 5.1598 5.2180 6.3503 6.4054 6.5659 6.7017 7.0084 7.1302 7.4299 7.6121 9.3515 9.3729 9.9099 9.9394 12.2028 12.2094 12.4696 12.5130 13.5330 13.6068 k = 0.4348-0.4348-0.0000 ( 4144 PWs) bands (ev): -5.1437 -5.1430 -4.7512 -4.7508 1.7139 1.7751 2.0983 2.1618 2.9244 2.9418 3.1200 3.1690 3.2743 3.2807 3.3542 3.3927 3.6439 3.6693 3.8323 3.8627 3.9639 4.0134 4.1654 4.2558 4.3651 4.4088 4.4670 4.5323 4.5467 4.5771 4.5948 4.6801 4.7232 4.8266 4.9352 5.0271 5.1529 5.2055 6.3742 6.4220 6.5824 6.6962 7.0447 7.1638 7.4320 7.6078 9.3284 9.3462 9.8537 9.8805 12.1919 12.1992 12.4439 12.4814 13.6133 13.6815 k = 0.4457-0.4457-0.0000 ( 4136 PWs) bands (ev): -5.1387 -5.1381 -4.7498 -4.7494 1.7124 1.7659 2.0831 2.1387 2.9205 2.9357 3.1251 3.1672 3.2753 3.2817 3.3540 3.3852 3.6501 3.6722 3.8401 3.8661 3.9619 4.0036 4.1731 4.2523 4.3631 4.4052 4.4738 4.5300 4.5501 4.5783 4.5922 4.6730 4.7262 4.8220 4.9327 5.0156 5.1489 5.1943 6.3952 6.4355 6.5972 6.6901 7.0799 7.1941 7.4358 7.6003 9.3076 9.3219 9.8055 9.8289 12.1821 12.1896 12.4218 12.4534 13.6849 13.7460 k = 0.4565-0.4565-0.0000 ( 4134 PWs) bands (ev): -5.1346 -5.1342 -4.7486 -4.7483 1.7128 1.7574 2.0715 2.1179 2.9175 2.9302 3.1301 3.1646 3.2766 3.2828 3.3545 3.3789 3.6556 3.6739 3.8474 3.8688 3.9603 3.9941 4.1812 4.2474 4.3629 4.4005 4.4809 4.5271 4.5540 4.5789 4.5914 4.6632 4.7324 4.8151 4.9334 5.0038 5.1471 5.1844 6.4132 6.4457 6.6106 6.6836 7.1134 7.2178 7.4429 7.5896 9.2895 9.3005 9.7661 9.7854 12.1739 12.1809 12.4039 12.4294 13.7467 13.7987 k = 0.4674-0.4674-0.0000 ( 4138 PWs) bands (ev): -5.1315 -5.1311 -4.7475 -4.7473 1.7147 1.7494 2.0638 2.0998 2.9156 2.9254 3.1351 3.1613 3.2780 3.2835 3.3558 3.3737 3.6605 3.6747 3.8541 3.8708 3.9595 3.9853 4.1896 4.2410 4.3644 4.3950 4.4880 4.5233 4.5581 4.5781 4.5936 4.6519 4.7408 4.8060 4.9370 4.9920 5.1472 5.1757 6.4282 6.4528 6.6226 6.6767 7.1446 7.2324 7.4549 7.5755 9.2748 9.2827 9.7358 9.7506 12.1676 12.1734 12.3905 12.4097 13.7977 13.8387 k = 0.4783-0.4783-0.0000 ( 4136 PWs) bands (ev): -5.1292 -5.1290 -4.7468 -4.7466 1.7181 1.7418 2.0601 2.0848 2.9148 2.9214 3.1400 3.1577 3.2795 3.2837 3.3576 3.3693 3.6647 3.6744 3.8601 3.8715 3.9599 3.9774 4.1984 4.2335 4.3676 4.3891 4.4949 4.5187 4.5623 4.5760 4.5991 4.6400 4.7507 4.7956 4.9428 4.9805 5.1489 5.1681 6.4401 6.4566 6.6335 6.6693 7.1730 7.2366 7.4722 7.5581 9.2640 9.2691 9.7148 9.7249 12.1633 12.1675 12.3817 12.3946 13.8370 13.8653 k = 0.4891-0.4891-0.0000 ( 4116 PWs) bands (ev): -5.1278 -5.1277 -4.7463 -4.7462 1.7227 1.7348 2.0605 2.0731 2.9150 2.9184 3.1447 3.1536 3.2810 3.2833 3.3599 3.3658 3.6683 3.6732 3.8650 3.8709 3.9619 3.9708 4.2074 4.2253 4.3720 4.3832 4.5015 4.5135 4.5663 4.5732 4.6072 4.6282 4.7615 4.7844 4.9506 4.9697 5.1520 5.1617 6.4490 6.4573 6.6436 6.6613 7.1977 7.2311 7.4932 7.5379 9.2577 9.2602 9.7033 9.7084 12.1611 12.1633 12.3777 12.3842 13.8638 13.8783 k = 0.5000-0.5000-0.0000 ( 4116 PWs) bands (ev): -5.1273 -5.1273 -4.7461 -4.7461 1.7284 1.7284 2.0649 2.0649 2.9162 2.9162 3.1493 3.1493 3.2823 3.2823 3.3626 3.3626 3.6711 3.6711 3.8687 3.8687 3.9656 3.9656 4.2164 4.2164 4.3773 4.3773 4.5078 4.5078 4.5699 4.5699 4.6171 4.6171 4.7728 4.7728 4.9596 4.9596 5.1563 5.1563 6.4547 6.4547 6.6528 6.6528 7.2175 7.2175 7.5158 7.5158 9.2564 9.2564 9.7011 9.7011 12.1612 12.1612 12.3786 12.3786 13.8777 13.8777 k = 0.5000-0.5000-0.0000 ( 4116 PWs) bands (ev): -5.1273 -5.1273 -4.7461 -4.7461 1.7284 1.7284 2.0649 2.0649 2.9162 2.9162 3.1493 3.1493 3.2823 3.2823 3.3626 3.3626 3.6711 3.6711 3.8687 3.8687 3.9656 3.9656 4.2164 4.2164 4.3773 4.3773 4.5078 4.5078 4.5699 4.5699 4.6171 4.6171 4.7728 4.7728 4.9596 4.9596 5.1563 5.1563 6.4547 6.4547 6.6528 6.6528 7.2175 7.2175 7.5158 7.5158 9.2564 9.2564 9.7011 9.7011 12.1612 12.1612 12.3786 12.3786 13.8777 13.8777 k = 0.5000-0.5000-0.0152 ( 4116 PWs) bands (ev): -5.1270 -5.1269 -4.7460 -4.7460 1.7273 1.7296 2.0642 2.0652 2.9133 2.9170 3.1470 3.1527 3.2802 3.2857 3.3602 3.3660 3.6692 3.6732 3.8665 3.8707 3.9626 3.9684 4.2102 4.2231 4.3706 4.3839 4.5020 4.5129 4.5663 4.5741 4.6107 4.6245 4.7697 4.7757 4.9572 4.9617 5.1551 5.1570 6.4430 6.4585 6.6383 6.6586 7.2037 7.2257 7.5090 7.5189 9.2613 9.2648 9.7029 9.7155 12.1594 12.1636 12.3751 12.3784 13.8754 13.8799 k = 0.5000-0.5000-0.0303 ( 4132 PWs) bands (ev): -5.1260 -5.1257 -4.7458 -4.7457 1.7264 1.7309 2.0630 2.0651 2.9083 2.9154 3.1458 3.1571 3.2794 3.2903 3.3588 3.3702 3.6675 3.6753 3.8639 3.8723 3.9598 3.9708 4.2044 4.2299 4.3639 4.3901 4.4957 4.5169 4.5630 4.5790 4.6057 4.6325 4.7663 4.7781 4.9544 4.9633 5.1534 5.1571 6.4236 6.4541 6.6157 6.6555 7.1850 7.2277 7.4985 7.5181 9.2797 9.2866 9.7209 9.7456 12.1584 12.1668 12.3681 12.3746 13.8729 13.8819 k = 0.5000-0.5000-0.0455 ( 4140 PWs) bands (ev): -5.1243 -5.1239 -4.7454 -4.7452 1.7256 1.7325 2.0615 2.0646 2.9013 2.9114 3.1457 3.1627 3.2798 3.2962 3.3587 3.3751 3.6661 3.6776 3.8612 3.8737 3.9573 3.9728 4.1990 4.2370 4.3576 4.3958 4.4893 4.5195 4.5600 4.5846 4.6026 4.6408 4.7629 4.7799 4.9512 4.9645 5.1512 5.1568 6.3969 6.4417 6.5859 6.6436 7.1623 7.2236 7.4842 7.5132 9.3111 9.3213 9.7545 9.7905 12.1583 12.1707 12.3577 12.3675 13.8703 13.8836 k = 0.5000-0.5000-0.0606 ( 4132 PWs) bands (ev): -5.1218 -5.1213 -4.7449 -4.7446 1.7250 1.7342 2.0595 2.0637 2.8923 2.9048 3.1467 3.1693 3.2816 3.3033 3.3600 3.3808 3.6651 3.6802 3.8584 3.8749 3.9554 3.9745 4.1942 4.2443 4.3518 4.4010 4.4828 4.5204 4.5575 4.5892 4.6029 4.6491 4.7599 4.7813 4.9477 4.9653 5.1485 5.1561 6.3636 6.4213 6.5501 6.6231 7.1368 7.2135 7.4663 7.5044 9.3549 9.3682 9.8028 9.8491 12.1593 12.1755 12.3445 12.3576 13.8677 13.8852 k = 0.5000-0.5000-0.0758 ( 4136 PWs) bands (ev): -5.1187 -5.1181 -4.7442 -4.7439 1.7245 1.7360 2.0572 2.0623 2.8810 2.8953 3.1490 3.1770 3.2846 3.3116 3.3627 3.3871 3.6646 3.6831 3.8555 3.8759 3.9542 3.9757 4.1899 4.2515 4.3466 4.4053 4.4763 4.5195 4.5554 4.5909 4.6083 4.6568 4.7576 4.7821 4.9438 4.9657 5.1454 5.1548 6.3241 6.3928 6.5098 6.5950 7.1092 7.1979 7.4445 7.4915 9.4105 9.4267 9.8645 9.9199 12.1614 12.1814 12.3290 12.3453 13.8649 13.8865 k = 0.5000-0.5000-0.0909 ( 4144 PWs) bands (ev): -5.1149 -5.1142 -4.7433 -4.7429 1.7243 1.7381 2.0544 2.0606 2.8675 2.8826 3.1524 3.1858 3.2889 3.3209 3.3671 3.3941 3.6646 3.6862 3.8527 3.8766 3.9537 3.9766 4.1861 4.2586 4.3424 4.4089 4.4699 4.5169 4.5540 4.5909 4.6169 4.6634 4.7565 4.7824 4.9395 4.9657 5.1418 5.1532 6.2787 6.3557 6.4672 6.5605 7.0800 7.1771 7.4191 7.4745 9.4769 9.4957 9.9382 10.0015 12.1648 12.1884 12.3117 12.3314 13.8620 13.8877 k = 0.5000-0.5000-0.1061 ( 4144 PWs) bands (ev): -5.1105 -5.1097 -4.7423 -4.7419 1.7242 1.7403 2.0514 2.0586 2.8516 2.8668 3.1570 3.1956 3.2945 3.3313 3.3733 3.4019 3.6653 3.6896 3.8503 3.8773 3.9539 3.9777 4.1829 4.2654 4.3391 4.4116 4.4637 4.5130 4.5533 4.5907 4.6266 4.6685 4.7572 4.7823 4.9349 4.9653 5.1378 5.1511 6.2280 6.3098 6.4246 6.5214 7.0496 7.1518 7.3899 7.4537 9.5532 9.5742 10.0223 10.0922 12.1694 12.1968 12.2933 12.3170 13.8590 13.8890 k = 0.5000-0.5000-0.1212 ( 4136 PWs) bands (ev): -5.1055 -5.1046 -4.7412 -4.7407 1.7244 1.7428 2.0480 2.0562 2.8333 2.8476 3.1629 3.2066 3.3013 3.3425 3.3812 3.4105 3.6668 3.6934 3.8483 3.8780 3.9544 3.9792 4.1802 4.2717 4.3369 4.4133 4.4580 4.5081 4.5529 4.5906 4.6362 4.6720 4.7600 4.7819 4.9300 4.9644 5.1333 5.1487 6.1722 6.2554 6.3833 6.4794 7.0181 7.1225 7.3572 7.4291 9.6383 9.6612 10.1152 10.1906 12.1750 12.2063 12.2750 12.3035 13.8559 13.8903 k = 0.5000-0.5000-0.1364 ( 4144 PWs) bands (ev): -5.1000 -5.0990 -4.7399 -4.7393 1.7247 1.7456 2.0443 2.0535 2.8124 2.8251 3.1700 3.2186 3.3093 3.3544 3.3910 3.4201 3.6690 3.6974 3.8472 3.8788 3.9550 3.9815 4.1779 4.2773 4.3358 4.4138 4.4531 4.5027 4.5526 4.5903 4.6444 4.6745 4.7647 4.7812 4.9248 4.9630 5.1285 5.1460 6.1117 6.1938 6.3439 6.4362 6.9853 7.0897 7.3212 7.4009 9.7312 9.7556 10.2154 10.2951 12.1805 12.2156 12.2590 12.2929 13.8527 13.8919 k = 0.5000-0.5000-0.1515 ( 4144 PWs) bands (ev): -5.0939 -5.0929 -4.7385 -4.7379 1.7254 1.7486 2.0403 2.0505 2.7887 2.7995 3.1784 3.2317 3.3187 3.3668 3.4026 3.4309 3.6719 3.7017 3.8471 3.8798 3.9556 3.9849 4.1760 4.2822 4.3358 4.4127 4.4493 4.4970 4.5523 4.5901 4.6499 4.6776 4.7706 4.7808 4.9193 4.9612 5.1233 5.1429 6.0469 6.1264 6.3064 6.3933 6.9513 7.0537 7.2822 7.3693 9.8308 9.8564 10.3214 10.4043 12.1835 12.2176 12.2533 12.2882 13.8496 13.8940 k = 0.5000-0.5000-0.1667 ( 4112 PWs) bands (ev): -5.0874 -5.0863 -4.7370 -4.7364 1.7264 1.7519 2.0360 2.0473 2.7622 2.7713 3.1880 3.2458 3.3293 3.3798 3.4159 3.4430 3.6758 3.7062 3.8484 3.8813 3.9562 3.9898 4.1745 4.2862 4.3370 4.4099 4.4471 4.4915 4.5519 4.5898 4.6516 4.6825 4.7754 4.7826 4.9136 4.9589 5.1177 5.1395 5.9786 6.0551 6.2709 6.3519 6.9159 7.0151 7.2404 7.3346 9.9360 9.9625 10.4318 10.5167 12.1817 12.2065 12.2650 12.2928 13.8465 13.8968 k = 0.5000-0.5000-0.1818 ( 4140 PWs) bands (ev): -5.0805 -5.0793 -4.7354 -4.7348 1.7276 1.7555 2.0315 2.0439 2.7322 2.7411 3.1987 3.2608 3.3410 3.3929 3.4304 3.4565 3.6801 3.7105 3.8509 3.8833 3.9567 3.9958 4.1732 4.2893 4.3387 4.4056 4.4459 4.4862 4.5510 4.5892 4.6500 4.6885 4.7763 4.7887 4.9077 4.9559 5.1116 5.1358 5.9072 5.9808 6.2372 6.3127 6.8793 6.9742 7.1961 7.2969 10.0458 10.0727 10.5451 10.6310 12.1745 12.1916 12.2865 12.3073 13.8435 13.9004 k = 0.5000-0.5000-0.1970 ( 4140 PWs) bands (ev): -5.0732 -5.0720 -4.7338 -4.7331 1.7293 1.7595 2.0269 2.0403 2.6986 2.7097 3.2107 3.2768 3.3540 3.4063 3.4459 3.4717 3.6850 3.7146 3.8548 3.8862 3.9575 4.0030 4.1722 4.2916 4.3408 4.4004 4.4455 4.4817 4.5496 4.5884 4.6467 4.6945 4.7761 4.7962 4.9017 4.9525 5.1052 5.1318 5.8338 5.9047 6.2057 6.2764 6.8415 6.9315 7.1499 7.2566 10.1590 10.1862 10.6601 10.7456 12.1639 12.1770 12.3148 12.3305 13.8408 13.9052 k = 0.5000-0.5000-0.2121 ( 4132 PWs) bands (ev): -5.0657 -5.0644 -4.7320 -4.7313 1.7313 1.7639 2.0220 2.0366 2.6621 2.6770 3.2238 3.2936 3.3680 3.4200 3.4622 3.4887 3.6906 3.7184 3.8599 3.8905 3.9590 4.0114 4.1713 4.2934 4.3428 4.3947 4.4451 4.4784 4.5476 4.5874 4.6426 4.6995 4.7760 4.8036 4.8959 4.9485 5.0984 5.1274 5.7589 5.8277 6.1766 6.2432 6.8026 6.8873 7.1018 7.2140 10.2746 10.3019 10.7755 10.8593 12.1521 12.1639 12.3491 12.3617 13.8384 13.9114 k = 0.5000-0.5000-0.2273 ( 4128 PWs) bands (ev): -5.0579 -5.0567 -4.7303 -4.7296 1.7339 1.7687 2.0171 2.0328 2.6233 2.6430 3.2379 3.3112 3.3829 3.4338 3.4789 3.5072 3.6967 3.7219 3.8656 3.8963 3.9612 4.0209 4.1707 4.2947 4.3443 4.3892 4.4444 4.4765 4.5449 4.5862 4.6380 4.7034 4.7761 4.8101 4.8903 4.9439 5.0911 5.1227 5.6833 5.7506 6.1502 6.2134 6.7630 6.8420 7.0524 7.1694 10.3913 10.4186 10.8899 10.9705 12.1407 12.1525 12.3883 12.4021 13.8364 13.9191 k = 0.5000-0.5000-0.2424 ( 4136 PWs) bands (ev): -5.0500 -5.0487 -4.7285 -4.7278 1.7369 1.7740 2.0120 2.0290 2.5828 2.6076 3.2530 3.3294 3.3987 3.4477 3.4957 3.5270 3.7033 3.7253 3.8714 3.9039 3.9646 4.0314 4.1702 4.2956 4.3447 4.3840 4.4432 4.4762 4.5413 4.5849 4.6331 4.7059 4.7763 4.8155 4.8851 4.9385 5.0833 5.1174 5.6077 5.6739 6.1266 6.1870 6.7228 6.7960 7.0019 7.1231 10.5079 10.5351 11.0023 11.0779 12.1306 12.1430 12.4322 12.4525 13.8349 13.9285 k = 0.5000-0.5000-0.2576 ( 4144 PWs) bands (ev): -5.0420 -5.0407 -4.7267 -4.7260 1.7405 1.7797 2.0069 2.0252 2.5411 2.5712 3.2690 3.3480 3.4151 3.4617 3.5125 3.5478 3.7106 3.7288 3.8769 3.9130 3.9697 4.0429 4.1698 4.2962 4.3438 4.3797 4.4415 4.4773 4.5369 4.5835 4.6279 4.7073 4.7764 4.8195 4.8805 4.9325 5.0748 5.1116 5.5326 5.5985 6.1060 6.1643 6.6824 6.7497 6.9506 7.0754 10.6231 10.6504 11.1115 11.1806 12.1223 12.1356 12.4819 12.5126 13.8340 13.9400 k = 0.5000-0.5000-0.2727 ( 4148 PWs) bands (ev): -5.0340 -5.0327 -4.7249 -4.7242 1.7448 1.7860 2.0018 2.0216 2.4987 2.5340 3.2858 3.3670 3.4321 3.4758 3.5292 3.5689 3.7182 3.7331 3.8823 3.9227 3.9771 4.0554 4.1698 4.2964 4.3415 4.3763 4.4397 4.4794 4.5317 4.5821 4.6225 4.7078 4.7760 4.8218 4.8769 4.9258 5.0657 5.1050 5.4588 5.5250 6.0887 6.1452 6.6421 6.7035 6.8988 7.0266 10.7353 10.7629 11.2165 11.2778 12.1161 12.1306 12.5382 12.5820 13.8338 13.9534 k = 0.5000-0.5000-0.2879 ( 4140 PWs) bands (ev): -5.0261 -5.0248 -4.7231 -4.7224 1.7497 1.7929 1.9966 2.0180 2.4558 2.4963 3.3033 3.3862 3.4494 3.4899 3.5454 3.5897 3.7262 3.7391 3.8877 3.9323 3.9872 4.0689 4.1701 4.2962 4.3381 4.3739 4.4380 4.4821 4.5260 4.5807 4.6168 4.7076 4.7750 4.8224 4.8741 4.9183 5.0558 5.0974 5.3867 5.4541 6.0748 6.1299 6.6023 6.6578 6.8470 6.9771 10.8430 10.8712 11.3167 11.3694 12.1121 12.1281 12.6018 12.6606 13.8344 13.9690 k = 0.5000-0.5000-0.3030 ( 4140 PWs) bands (ev): -5.0183 -5.0170 -4.7213 -4.7207 1.7554 1.8004 1.9915 2.0147 2.4128 2.4584 3.3213 3.4052 3.4668 3.5039 3.5609 3.6093 3.7343 3.7474 3.8933 3.9413 3.9998 4.0833 4.1709 4.2956 4.3339 4.3723 4.4363 4.4847 4.5200 4.5794 4.6106 4.7069 4.7729 4.8214 4.8721 4.9099 5.0450 5.0887 5.3170 5.3867 6.0642 6.1183 6.5633 6.6131 6.7952 6.9271 10.9445 10.9736 11.4115 11.4558 12.1103 12.1282 12.6728 12.7478 13.8357 13.9864 k = 0.5000-0.5000-0.3182 ( 4136 PWs) bands (ev): -5.0107 -5.0095 -4.7196 -4.7190 1.7619 1.8085 1.9865 2.0117 2.3702 2.4206 3.3396 3.4237 3.4842 3.5180 3.5754 3.6267 3.7435 3.7581 3.8993 3.9502 4.0143 4.0985 4.1724 4.2942 4.3296 4.3713 4.4346 4.4866 4.5143 4.5780 4.6041 4.7056 4.7697 4.8192 4.8706 4.9006 5.0332 5.0784 5.2504 5.3236 6.0572 6.1104 6.5256 6.5697 6.7438 6.8769 11.0383 11.0683 11.5005 11.5381 12.1106 12.1310 12.7509 12.8426 13.8379 14.0054 k = 0.5000-0.5000-0.3333 ( 4136 PWs) bands (ev): -5.0034 -5.0022 -4.7180 -4.7174 1.7694 1.8173 1.9815 2.0090 2.3282 2.3832 3.3581 3.4415 3.5012 3.5320 3.5888 3.6410 3.7547 3.7706 3.9057 3.9594 4.0297 4.1141 4.1748 4.2920 4.3258 4.3708 4.4328 4.4864 4.5102 4.5763 4.5972 4.7037 4.7652 4.8159 4.8690 4.8904 5.0202 5.0661 5.1880 5.2660 6.0537 6.1061 6.4896 6.5279 6.6931 6.8268 11.1228 11.1535 11.5837 11.6177 12.1128 12.1364 12.8355 12.9438 13.8409 14.0250 k = 0.5000-0.5000-0.3485 ( 4140 PWs) bands (ev): -4.9965 -4.9954 -4.7165 -4.7159 1.7778 1.8268 1.9766 2.0067 2.2870 2.3464 3.3765 3.4581 3.5178 3.5461 3.6010 3.6517 3.7682 3.7841 3.9131 3.9697 4.0451 4.1296 4.1785 4.2887 4.3230 4.3708 4.4308 4.4831 4.5086 4.5738 4.5907 4.7012 4.7594 4.8113 4.8665 4.8798 5.0057 5.0509 5.1316 5.2151 6.0537 6.1054 6.4556 6.4883 6.6432 6.7770 11.1973 11.2279 11.6611 11.6954 12.1167 12.1444 12.9259 13.0499 13.8445 14.0433 k = 0.5000-0.5000-0.3636 ( 4144 PWs) bands (ev): -4.9899 -4.9889 -4.7150 -4.7145 1.7872 1.8370 1.9718 2.0049 2.2470 2.3105 3.3946 3.4730 3.5338 3.5601 3.6118 3.6589 3.7832 3.7981 3.9219 3.9817 4.0600 4.1441 4.1839 4.2842 4.3215 4.3715 4.4286 4.4771 4.5089 4.5688 4.5859 4.6981 4.7521 4.8047 4.8604 4.8720 4.9898 5.0303 5.0851 5.1716 6.0572 6.1082 6.4238 6.4513 6.5943 6.7280 11.2612 11.2909 11.7332 11.7705 12.1220 12.1548 13.0210 13.1592 13.8487 14.0560 k = 0.5000-0.5000-0.3788 ( 4152 PWs) bands (ev): -4.9839 -4.9829 -4.7137 -4.7132 1.7977 1.8478 1.9670 2.0038 2.2084 2.2756 3.4122 3.4859 3.5492 3.5740 3.6215 3.6634 3.7985 3.8119 3.9327 3.9958 4.0739 4.1563 4.1912 4.2789 4.3215 4.3728 4.4261 4.4700 4.5096 4.5609 4.5835 4.6944 4.7431 4.7942 4.8501 4.8685 4.9726 5.0017 5.0532 5.1359 6.0641 6.1143 6.3945 6.4175 6.5468 6.6798 11.3149 11.3428 11.8001 11.8420 12.1285 12.1673 13.1193 13.2703 13.8532 14.0583 k = 0.5000-0.5000-0.3939 ( 4152 PWs) bands (ev): -4.9784 -4.9775 -4.7125 -4.7120 1.8093 1.8593 1.9623 2.0033 2.1715 2.2421 3.4290 3.4965 3.5640 3.5876 3.6299 3.6657 3.8124 3.8248 3.9464 4.0121 4.0866 4.1653 4.1998 4.2733 4.3229 4.3748 4.4237 4.4627 4.5093 4.5513 4.5827 4.6902 4.7321 4.7773 4.8415 4.8664 4.9544 4.9709 5.0329 5.1070 6.0743 6.1234 6.3672 6.3881 6.5007 6.6329 11.3592 11.3843 11.8611 11.9079 12.1362 12.1817 13.2195 13.3814 13.8578 14.0513 k = 0.5000-0.5000-0.4091 ( 4144 PWs) bands (ev): -4.9735 -4.9728 -4.7114 -4.7110 1.8222 1.8713 1.9576 2.0036 2.1367 2.2101 3.4447 3.5048 3.5781 3.6006 3.6373 3.6664 3.8242 3.8360 3.9635 4.0304 4.0983 4.1709 4.2080 4.2682 4.3257 4.3773 4.4218 4.4555 4.5065 4.5420 4.5826 4.6855 4.7190 4.7539 4.8370 4.8648 4.9342 4.9467 5.0184 5.0835 6.0877 6.1352 6.3414 6.3643 6.4562 6.5875 11.3950 11.4168 11.9151 11.9664 12.1455 12.1973 13.3199 13.4910 13.8620 14.0410 k = 0.5000-0.5000-0.4242 ( 4160 PWs) bands (ev): -4.9693 -4.9686 -4.7104 -4.7101 1.8361 1.8837 1.9527 2.0045 2.1043 2.1798 3.4592 3.5106 3.5913 3.6127 3.6433 3.6658 3.8337 3.8447 3.9836 4.0500 4.1088 4.1729 4.2136 4.2644 4.3298 4.3798 4.4209 4.4490 4.4996 4.5351 4.5826 4.6805 4.7027 4.7287 4.8362 4.8634 4.9143 4.9293 5.0076 5.0638 6.1041 6.1492 6.3169 6.3470 6.4136 6.5438 11.4234 11.4417 11.9611 12.0149 12.1574 12.2130 13.4186 13.5978 13.8651 14.0310 k = 0.5000-0.5000-0.4394 ( 4160 PWs) bands (ev): -4.9657 -4.9652 -4.7096 -4.7094 1.8511 1.8963 1.9477 2.0055 2.0758 2.1516 3.4723 3.5142 3.6036 3.6234 3.6481 3.6642 3.8412 3.8509 4.0063 4.0700 4.1183 4.1711 4.2158 4.2617 4.3355 4.3817 4.4207 4.4438 4.4898 4.5305 4.5828 4.6738 4.6829 4.7086 4.8384 4.8626 4.8984 4.9147 5.0001 5.0470 6.1235 6.1647 6.2943 6.3359 6.3733 6.5024 11.4456 11.4601 11.9990 12.0506 12.1732 12.2276 13.5133 13.6998 13.8668 14.0240 k = 0.5000-0.5000-0.4545 ( 4176 PWs) bands (ev): -4.9629 -4.9625 -4.7090 -4.7088 1.8668 1.9086 1.9426 2.0037 2.0545 2.1255 3.4838 3.5156 3.6147 3.6324 3.6515 3.6617 3.8470 3.8549 4.0303 4.0885 4.1262 4.1654 4.2162 4.2583 4.3431 4.3830 4.4190 4.4405 4.4815 4.5259 4.5836 4.6533 4.6745 4.6950 4.8428 4.8623 4.8865 4.9015 4.9960 5.0325 6.1456 6.1808 6.2740 6.3261 6.3408 6.4637 11.4623 11.4731 12.0290 12.0724 12.1929 12.2394 13.6013 13.7917 13.8688 14.0222 k = 0.5000-0.5000-0.4697 ( 4192 PWs) bands (ev): -4.9609 -4.9606 -4.7086 -4.7084 1.8827 1.9189 1.9388 1.9934 2.0468 2.1020 3.4937 3.5150 3.6246 3.6390 3.6532 3.6588 3.8513 3.8569 4.0544 4.1027 4.1316 4.1571 4.2180 4.2522 4.3523 4.3829 4.4161 4.4364 4.4800 4.5189 4.5859 4.6310 4.6720 4.6853 4.8491 4.8628 4.8778 4.8891 4.9950 5.0202 6.1703 6.1967 6.2561 6.2948 6.3396 6.4282 11.4742 11.4814 12.0518 12.0825 12.2134 12.2466 13.6790 13.8351 13.9057 14.0275 k = 0.5000-0.5000-0.4848 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.8978 1.9195 1.9441 1.9760 2.0521 2.0815 3.5017 3.5124 3.6329 3.6418 3.6537 3.6565 3.8544 3.8573 4.0770 4.1066 4.1357 4.1488 4.2235 4.2431 4.3623 4.3794 4.4161 4.4290 4.4865 4.5090 4.5910 4.6130 4.6718 4.6784 4.8569 4.8641 4.8716 4.8777 4.9972 5.0100 6.1972 6.2120 6.2399 6.2610 6.3512 6.3968 11.4819 11.4855 12.0683 12.0840 12.2308 12.2480 13.7429 13.8221 13.9796 14.0406 k = 0.5000-0.5000-0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000-0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000-0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.5000-0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 k = 0.5000-0.4891-0.4891 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.8941 1.9258 1.9437 1.9749 2.0546 2.0780 3.4999 3.5145 3.6314 3.6449 3.6528 3.6556 3.8547 3.8571 4.0790 4.1062 4.1321 4.1507 4.2227 4.2451 4.3588 4.3837 4.4156 4.4284 4.4893 4.5066 4.5862 4.6172 4.6715 4.6770 4.8583 4.8636 4.8721 4.8763 4.9981 5.0108 6.1950 6.2147 6.2335 6.2673 6.3480 6.3998 11.4801 11.4826 12.0659 12.0883 12.2281 12.2529 13.7546 13.8137 13.9963 14.0387 k = 0.5000-0.4783-0.4783 ( 4196 PWs) bands (ev): -4.9609 -4.9606 -4.7086 -4.7085 1.8772 1.9259 1.9434 1.9925 2.0488 2.0947 3.4903 3.5194 3.6219 3.6451 3.6499 3.6579 3.8517 3.8565 4.0588 4.1028 4.1257 4.1574 4.2179 4.2570 4.3460 4.3920 4.4115 4.4381 4.4832 4.5165 4.5767 4.6367 4.6698 4.6818 4.8517 4.8622 4.8793 4.8858 4.9982 5.0230 6.1633 6.2039 6.2452 6.3061 6.3337 6.4339 11.4661 11.4712 12.0489 12.0937 12.2094 12.2588 13.7074 13.8227 13.9369 14.0141 k = 0.5000-0.4674-0.4674 ( 4168 PWs) bands (ev): -4.9630 -4.9626 -4.7090 -4.7089 1.8606 1.9125 1.9557 2.0095 2.0488 2.1143 3.4792 3.5226 3.6109 3.6398 3.6457 3.6625 3.8475 3.8546 4.0374 4.0882 4.1203 4.1612 4.2187 4.2665 4.3348 4.3953 4.4095 4.4500 4.4801 4.5262 4.5715 4.6547 4.6695 4.6899 4.8461 4.8638 4.8876 4.8967 5.0025 5.0383 6.1339 6.1911 6.2591 6.3258 6.3500 6.4721 11.4439 11.4512 12.0281 12.0947 12.1869 12.2604 13.6522 13.8175 13.8726 13.9855 k = 0.5000-0.4565-0.4565 ( 4160 PWs) bands (ev): -4.9660 -4.9655 -4.7097 -4.7095 1.8447 1.8990 1.9674 2.0214 2.0587 2.1364 3.4667 3.5235 3.5983 3.6321 3.6398 3.6674 3.8419 3.8513 4.0159 4.0694 4.1117 4.1618 4.2222 4.2728 4.3258 4.3935 4.4100 4.4616 4.4823 4.5345 4.5702 4.6632 4.6749 4.7041 4.8418 4.8690 4.8972 4.9091 5.0106 5.0559 6.1071 6.1763 6.2756 6.3299 6.3935 6.5138 11.4135 11.4229 12.0034 12.0905 12.1620 12.2579 13.5917 13.7879 13.8184 13.9534 k = 0.5000-0.4457-0.4457 ( 4148 PWs) bands (ev): -4.9697 -4.9691 -4.7105 -4.7102 1.8297 1.8860 1.9784 2.0275 2.0788 2.1607 3.4528 3.5216 3.5842 3.6232 3.6330 3.6722 3.8348 3.8467 3.9948 4.0493 4.1007 4.1594 4.2253 4.2768 4.3185 4.3888 4.4126 4.4689 4.4926 4.5407 4.5722 4.6653 4.6833 4.7229 4.8392 4.8785 4.9084 4.9235 5.0219 5.0751 6.0828 6.1604 6.2948 6.3418 6.4396 6.5587 11.3753 11.3865 11.9750 12.0785 12.1376 12.2516 13.5284 13.7230 13.7886 13.9180 k = 0.5000-0.4348-0.4348 ( 4152 PWs) bands (ev): -4.9742 -4.9735 -4.7116 -4.7112 1.8157 1.8737 1.9889 2.0322 2.1043 2.1869 3.4377 3.5161 3.5695 3.6135 3.6257 3.6767 3.8261 3.8407 3.9744 4.0291 4.0886 4.1541 4.2262 4.2802 4.3118 4.3823 4.4168 4.4734 4.5075 4.5451 4.5759 4.6681 4.6910 4.7413 4.8385 4.8915 4.9224 4.9405 5.0358 5.0952 6.0610 6.1445 6.3168 6.3612 6.4878 6.6066 11.3296 11.3425 11.9428 12.0552 12.1174 12.2415 13.4640 13.6514 13.7575 13.8796 k = 0.5000-0.4239-0.4239 ( 4152 PWs) bands (ev): -4.9795 -4.9786 -4.7128 -4.7124 1.8029 1.8624 1.9993 2.0379 2.1325 2.2147 3.4215 3.5060 3.5549 3.6030 3.6189 3.6808 3.8160 3.8334 3.9546 4.0099 4.0760 4.1467 4.2251 4.2831 4.3052 4.3752 4.4221 4.4775 4.5226 4.5489 4.5800 4.6726 4.6983 4.7571 4.8401 4.9059 4.9407 4.9612 5.0518 5.1158 6.0418 6.1293 6.3416 6.3872 6.5378 6.6572 11.2771 11.2916 11.9071 12.0209 12.1014 12.2277 13.3995 13.5784 13.7221 13.8389 k = 0.5000-0.4130-0.4130 ( 4152 PWs) bands (ev): -4.9855 -4.9845 -4.7142 -4.7137 1.7913 1.8520 2.0097 2.0451 2.1625 2.2439 3.4045 3.4912 3.5409 3.5918 3.6129 3.6847 3.8045 3.8249 3.9354 3.9923 4.0633 4.1378 4.2229 4.2837 4.2999 4.3684 4.4282 4.4813 4.5344 4.5545 4.5843 4.6781 4.7057 4.7701 4.8439 4.9192 4.9629 4.9870 5.0696 5.1365 6.0250 6.1154 6.3694 6.4189 6.5894 6.7103 11.2183 11.2345 11.8679 11.9790 12.0864 12.2103 13.3356 13.5049 13.6837 13.7968 k = 0.5000-0.4022-0.4022 ( 4154 PWs) bands (ev): -4.9922 -4.9911 -4.7157 -4.7152 1.7809 1.8427 2.0202 2.0541 2.1939 2.2743 3.3870 3.4727 3.5271 3.5798 3.6081 3.6883 3.7920 3.8151 3.9168 3.9766 4.0509 4.1281 4.2203 4.2791 4.2983 4.3626 4.4345 4.4847 4.5398 4.5634 4.5899 4.6836 4.7134 4.7809 4.8496 4.9314 4.9867 5.0182 5.0891 5.1574 6.0107 6.1030 6.4001 6.4558 6.6424 6.7657 11.1542 11.1722 11.8251 11.9317 12.0704 12.1893 13.2724 13.4312 13.6439 13.7544 k = 0.5000-0.3913-0.3913 ( 4134 PWs) bands (ev): -4.9995 -4.9983 -4.7175 -4.7169 1.7718 1.8345 2.0312 2.0648 2.2265 2.3058 3.3693 3.4521 3.5129 3.5669 3.6044 3.6915 3.7786 3.8042 3.8990 3.9627 4.0389 4.1179 4.2177 4.2707 4.2990 4.3585 4.4409 4.4877 4.5406 4.5725 4.5982 4.6883 4.7212 4.7906 4.8571 4.9430 5.0108 5.0523 5.1113 5.1788 5.9987 6.0923 6.4338 6.4971 6.6964 6.8232 11.0858 11.1058 11.7787 11.8800 12.0525 12.1649 13.2097 13.3575 13.6042 13.7127 k = 0.5000-0.3804-0.3804 ( 4134 PWs) bands (ev): -5.0075 -5.0062 -4.7194 -4.7188 1.7639 1.8275 2.0427 2.0771 2.2600 2.3380 3.3517 3.4304 3.4979 3.5533 3.6012 3.6940 3.7648 3.7923 3.8823 3.9506 4.0274 4.1073 4.2153 4.2609 4.2994 4.3562 4.4472 4.4905 4.5392 4.5792 4.6091 4.6919 4.7285 4.7997 4.8660 4.9545 5.0349 5.0846 5.1379 5.2010 5.9890 6.0833 6.4701 6.5422 6.7511 6.8824 11.0141 11.0362 11.7289 11.8242 12.0325 12.1373 13.1473 13.2838 13.5661 13.6728 k = 0.5000-0.3696-0.3696 ( 4130 PWs) bands (ev): -5.0161 -5.0147 -4.7215 -4.7208 1.7574 1.8217 2.0550 2.0910 2.2942 2.3708 3.3343 3.4086 3.4824 3.5388 3.5983 3.6957 3.7511 3.7795 3.8670 3.9399 4.0166 4.0964 4.2132 4.2507 4.2991 4.3558 4.4532 4.4933 4.5367 4.5841 4.6210 4.6947 4.7347 4.8086 4.8762 4.9660 5.0585 5.1114 5.1710 5.2252 5.9815 6.0761 6.5086 6.5904 6.8062 6.9430 10.9402 10.9647 11.6758 11.7649 12.0103 12.1066 13.0846 13.2104 13.5309 13.6357 k = 0.5000-0.3587-0.3587 ( 4132 PWs) bands (ev): -5.0251 -5.0237 -4.7238 -4.7231 1.7522 1.8171 2.0683 2.1062 2.3289 2.4040 3.3175 3.3872 3.4663 3.5237 3.5954 3.6956 3.7383 3.7662 3.8530 3.9305 4.0065 4.0850 4.2117 4.2407 4.2983 4.3568 4.4588 4.4961 4.5337 4.5880 4.6325 4.6974 4.7394 4.8169 4.8878 4.9775 5.0809 5.1321 5.2090 5.2525 5.9761 6.0706 6.5487 6.6409 6.8613 7.0046 10.8653 10.8923 11.6196 11.7025 11.9859 12.0733 13.0212 13.1373 13.4994 13.6021 k = 0.5000-0.3478-0.3478 ( 4140 PWs) bands (ev): -5.0347 -5.0332 -4.7263 -4.7255 1.7483 1.8138 2.0825 2.1226 2.3640 2.4374 3.3014 3.3666 3.4502 3.5079 3.5922 3.6921 3.7280 3.7531 3.8404 3.9223 3.9972 4.0732 4.2108 4.2313 4.2972 4.3589 4.4640 4.4991 4.5307 4.5911 4.6427 4.7004 4.7426 4.8240 4.9009 4.9892 5.1013 5.1488 5.2485 5.2843 5.9728 6.0668 6.5900 6.6929 6.9159 7.0666 10.7905 10.8202 11.5608 11.6376 11.9594 12.0375 12.9569 13.0648 13.4723 13.5726 k = 0.5000-0.3370-0.3370 ( 4140 PWs) bands (ev): -5.0448 -5.0432 -4.7289 -4.7281 1.7458 1.8117 2.0979 2.1403 2.3992 2.4707 3.2863 3.3471 3.4342 3.4918 3.5884 3.6838 3.7214 3.7409 3.8289 3.9151 3.9888 4.0609 4.2101 4.2229 4.2962 4.3619 4.4687 4.5021 4.5281 4.5937 4.6513 4.7042 4.7443 4.8299 4.9154 5.0010 5.1195 5.1630 5.2871 5.3211 5.9716 6.0647 6.6317 6.7456 6.9696 7.1286 10.7169 10.7493 11.5001 11.5709 11.9307 11.9994 12.8916 12.9929 13.4501 13.5476 k = 0.5000-0.3261-0.3261 ( 4136 PWs) bands (ev): -5.0552 -5.0536 -4.7317 -4.7309 1.7446 1.8110 2.1143 2.1591 2.4343 2.5037 3.2723 3.3290 3.4186 3.4756 3.5841 3.6718 3.7162 3.7314 3.8186 3.9089 3.9811 4.0484 4.2085 4.2171 4.2956 4.3654 4.4728 4.5048 4.5265 4.5959 4.6578 4.7092 4.7448 4.8343 4.9309 5.0130 5.1348 5.1759 5.3246 5.3620 5.9723 6.0643 6.6731 6.7980 7.0219 7.1897 10.6457 10.6807 11.4383 11.5035 11.8999 11.9594 12.8253 12.9219 13.4327 13.5271 k = 0.5000-0.3152-0.3152 ( 4132 PWs) bands (ev): -5.0660 -5.0643 -4.7347 -4.7338 1.7449 1.8115 2.1319 2.1789 2.4690 2.5362 3.2595 3.3124 3.4036 3.4593 3.5790 3.6578 3.7084 3.7267 3.8090 3.9035 3.9741 4.0359 4.2035 4.2160 4.2954 4.3694 4.4762 4.5068 4.5263 4.5977 4.6623 4.7151 4.7443 4.8377 4.9467 5.0250 5.1471 5.1884 5.3620 5.4048 5.9749 6.0657 6.7134 6.8491 7.0721 7.2494 10.5779 10.6153 11.3766 11.4363 11.8670 11.9175 12.7583 12.8518 13.4200 13.5111 k = 0.5000-0.3043-0.3043 ( 4132 PWs) bands (ev): -5.0770 -5.0754 -4.7378 -4.7368 1.7465 1.8133 2.1506 2.1998 2.5030 2.5677 3.2480 3.2974 3.3895 3.4434 3.5731 3.6433 3.6988 3.7251 3.8002 3.8989 3.9677 4.0238 4.1974 4.2173 4.2958 4.3738 4.4788 4.5080 4.5280 4.5992 4.6652 4.7217 4.7432 4.8402 4.9625 5.0371 5.1563 5.2013 5.3998 5.4481 5.9795 6.0687 6.7517 6.8978 7.1196 7.3067 10.5144 10.5540 11.3160 11.3705 11.8319 11.8737 12.6912 12.7829 13.4119 13.4993 k = 0.5000-0.2935-0.2935 ( 4144 PWs) bands (ev): -5.0883 -5.0866 -4.7410 -4.7401 1.7495 1.8165 2.1703 2.2216 2.5360 2.5979 3.2378 3.2842 3.3763 3.4280 3.5665 3.6285 3.6892 3.7243 3.7920 3.8949 3.9619 4.0125 4.1917 4.2194 4.2969 4.3785 4.4804 4.5088 4.5311 4.6004 4.6667 4.7281 4.7420 4.8422 4.9778 5.0494 5.1628 5.2147 5.4379 5.4911 5.9860 6.0734 6.7875 6.9432 7.1638 7.3606 10.4563 10.4976 11.2577 11.3075 11.7947 11.8281 12.6244 12.7154 13.4079 13.4912 k = 0.5000-0.2826-0.2826 ( 4140 PWs) bands (ev): -5.0998 -5.0981 -4.7444 -4.7434 1.7539 1.8209 2.1911 2.2443 2.5676 2.6266 3.2292 3.2726 3.3644 3.4134 3.5592 3.6141 3.6804 3.7234 3.7844 3.8913 3.9569 4.0026 4.1866 4.2220 4.2986 4.3836 4.4808 4.5099 4.5352 4.6013 4.6671 4.7321 4.7430 4.8439 4.9921 5.0618 5.1676 5.2286 5.4761 5.5332 5.9943 6.0798 6.8199 6.9842 7.2041 7.4104 10.4044 10.4469 11.2031 11.2483 11.7552 11.7806 12.5586 12.6496 13.4075 13.4857 k = 0.5000-0.2717-0.2717 ( 4150 PWs) bands (ev): -5.1114 -5.1097 -4.7479 -4.7469 1.7596 1.8266 2.2128 2.2679 2.5975 2.6534 3.2221 3.2628 3.3538 3.3998 3.5512 3.5999 3.6725 3.7219 3.7772 3.8881 3.9525 3.9943 4.1822 4.2247 4.3009 4.3888 4.4802 4.5116 4.5398 4.6021 4.6667 4.7319 4.7479 4.8455 5.0054 5.0742 5.1711 5.2428 5.5141 5.5741 6.0046 6.0879 6.8482 7.0200 7.2398 7.4548 10.3595 10.4027 11.1532 11.1942 11.7134 11.7313 12.4943 12.5857 13.4103 13.4815 k = 0.5000-0.2609-0.2609 ( 4154 PWs) bands (ev): -5.1230 -5.1213 -4.7515 -4.7505 1.7668 1.8335 2.2354 2.2921 2.6253 2.6779 3.2166 3.2548 3.3445 3.3875 3.5426 3.5863 3.6656 3.7199 3.7704 3.8851 3.9493 3.9877 4.1786 4.2274 4.3040 4.3943 4.4788 4.5137 4.5446 4.6028 4.6655 4.7300 4.7546 4.8471 5.0174 5.0865 5.1743 5.2572 5.5515 5.6135 6.0168 6.0977 6.8721 7.0496 7.2701 7.4929 10.3223 10.3655 11.1093 11.1463 11.6692 11.6802 12.4321 12.5240 13.4155 13.4764 k = 0.5000-0.2500-0.2500 ( 4146 PWs) bands (ev): -5.1347 -5.1330 -4.7552 -4.7542 1.7752 1.8417 2.2587 2.3171 2.6506 2.6999 3.2127 3.2484 3.3367 3.3766 3.5334 3.5734 3.6597 3.7172 3.7639 3.8825 3.9475 3.9830 4.1758 4.2300 4.3077 4.3998 4.4769 4.5161 4.5494 4.6035 4.6639 4.7278 4.7615 4.8486 5.0282 5.0984 5.1777 5.2718 5.5881 5.6510 6.0309 6.1093 6.8909 7.0726 7.2944 7.5238 10.2933 10.3359 11.0722 11.1054 11.6221 11.6278 12.3724 12.4648 13.4217 13.4692 k = 0.5000-0.2391-0.2391 ( 4154 PWs) bands (ev): -5.1463 -5.1447 -4.7590 -4.7580 1.7850 1.8510 2.2828 2.3426 2.6732 2.7192 3.2104 3.2435 3.3300 3.3670 3.5237 3.5611 3.6551 3.7139 3.7576 3.8802 3.9471 3.9798 4.1738 4.2324 4.3118 4.4053 4.4747 4.5185 4.5540 4.6042 4.6620 4.7259 4.7683 4.8502 5.0378 5.1095 5.1819 5.2868 5.6236 5.6866 6.0469 6.1224 6.9044 7.0884 7.3123 7.5465 10.2729 10.3143 11.0426 11.0723 11.5704 11.5758 12.3157 12.4083 13.4253 13.4636 k = 0.5000-0.2283-0.2283 ( 4150 PWs) bands (ev): -5.1579 -5.1563 -4.7628 -4.7618 1.7960 1.8615 2.3074 2.3686 2.6929 2.7356 3.2096 3.2399 3.3246 3.3589 3.5136 3.5496 3.6517 3.7102 3.7517 3.8786 3.9484 3.9781 4.1728 4.2347 4.3164 4.4106 4.4724 4.5208 4.5581 4.6052 4.6601 4.7243 4.7749 4.8519 5.0464 5.1192 5.1878 5.3021 5.6578 5.7199 6.0646 6.1372 6.9126 7.0968 7.3231 7.5603 10.2612 10.3011 11.0210 11.0474 11.5147 11.5241 12.2622 12.3547 13.4222 13.4643 k = 0.5000-0.2174-0.2174 ( 4150 PWs) bands (ev): -5.1693 -5.1677 -4.7666 -4.7657 1.8082 1.8729 2.3326 2.3950 2.7094 2.7492 3.2102 3.2374 3.3201 3.3519 3.5032 3.5389 3.6496 3.7062 3.7463 3.8778 3.9509 3.9778 4.1725 4.2368 4.3213 4.4156 4.4699 4.5228 4.5615 4.6068 4.6586 4.7231 4.7813 4.8536 5.0542 5.1274 5.1958 5.3178 5.6905 5.7509 6.0839 6.1534 6.9154 7.0979 7.3267 7.5647 10.2583 10.2964 11.0075 11.0307 11.4571 11.4710 12.2122 12.3042 13.4141 13.4684 k = 0.5000-0.2065-0.2065 ( 4150 PWs) bands (ev): -5.1805 -5.1789 -4.7705 -4.7696 1.8214 1.8853 2.3581 2.4217 2.7229 2.7601 3.2118 3.2356 3.3164 3.3458 3.4927 3.5289 3.6488 3.7022 3.7419 3.8778 3.9545 3.9791 4.1732 4.2388 4.3263 4.4202 4.4674 4.5244 4.5641 4.6091 4.6577 4.7221 4.7873 4.8552 5.0613 5.1340 5.2060 5.3341 5.7215 5.7796 6.1046 6.1710 6.9130 7.0919 7.3229 7.5596 10.2639 10.3001 11.0017 11.0222 11.3984 11.4162 12.1658 12.2567 13.4049 13.4701 k = 0.5000-0.1957-0.1957 ( 4150 PWs) bands (ev): -5.1914 -5.1899 -4.7744 -4.7734 1.8357 1.8985 2.3839 2.4486 2.7334 2.7684 3.2142 3.2343 3.3130 3.3401 3.4825 3.5197 3.6488 3.6984 3.7387 3.8787 3.9586 3.9821 4.1747 4.2408 4.3315 4.4241 4.4648 4.5254 4.5661 4.6121 4.6576 4.7213 4.7931 4.8568 5.0679 5.1395 5.2185 5.3509 5.7508 5.8059 6.1263 6.1898 6.9058 7.0792 7.3119 7.5450 10.2776 10.3120 11.0031 11.0214 11.3392 11.3603 12.1231 12.2124 13.3966 13.4680 k = 0.5000-0.1848-0.1848 ( 4146 PWs) bands (ev): -5.2021 -5.2006 -4.7782 -4.7773 1.8509 1.9124 2.4098 2.4756 2.7412 2.7746 3.2168 3.2332 3.3098 3.3345 3.4729 3.5114 3.6495 3.6951 3.7374 3.8801 3.9630 3.9873 4.1770 4.2429 4.3367 4.4272 4.4621 4.5256 4.5679 4.6156 4.6585 4.7206 4.7985 4.8583 5.0742 5.1444 5.2329 5.3684 5.7782 5.8299 6.1485 6.2095 6.8942 7.0606 7.2940 7.5214 10.2988 10.3317 11.0105 11.0276 11.2801 11.3037 12.0840 12.1713 13.3898 13.4640 k = 0.5000-0.1739-0.1739 ( 4152 PWs) bands (ev): -5.2124 -5.2110 -4.7820 -4.7811 1.8668 1.9268 2.4358 2.5026 2.7467 2.7789 3.2187 3.2325 3.3060 3.3285 3.4644 3.5038 3.6503 3.6925 3.7383 3.8819 3.9676 3.9943 4.1800 4.2450 4.3418 4.4296 4.4593 4.5252 4.5697 4.6190 4.6606 4.7201 4.8035 4.8596 5.0802 5.1491 5.2489 5.3866 5.8037 5.8519 6.1707 6.2299 6.8789 7.0367 7.2699 7.4894 10.3267 10.3584 11.0223 11.0399 11.2217 11.2473 12.0485 12.1332 13.3850 13.4598 k = 0.5000-0.1630-0.1630 ( 4152 PWs) bands (ev): -5.2223 -5.2210 -4.7857 -4.7849 1.8833 1.9416 2.4616 2.5294 2.7503 2.7818 3.2185 3.2329 3.3013 3.3222 3.4572 3.4973 3.6510 3.6904 3.7417 3.8838 3.9727 4.0030 4.1838 4.2471 4.3470 4.4311 4.4563 4.5242 4.5717 4.6221 4.6638 4.7198 4.8080 4.8607 5.0861 5.1540 5.2665 5.4057 5.8273 5.8721 6.1921 6.2508 6.8605 7.0084 7.2403 7.4499 10.3604 10.3912 11.0358 11.0566 11.1658 11.1926 12.0165 12.0983 13.3822 13.4565 k = 0.5000-0.1522-0.1522 ( 4140 PWs) bands (ev): -5.2318 -5.2305 -4.7893 -4.7885 1.9002 1.9566 2.4873 2.5560 2.7525 2.7836 3.2151 3.2347 3.2946 3.3161 3.4516 3.4919 3.6515 3.6888 3.7476 3.8855 3.9788 4.0130 4.1883 4.2494 4.3523 4.4318 4.4534 4.5230 4.5741 4.6245 4.6682 4.7197 4.8119 4.8615 5.0920 5.1594 5.2857 5.4259 5.8489 5.8908 6.2120 6.2717 6.8396 6.9766 7.2063 7.4041 10.3988 10.4292 11.0431 11.0734 11.1179 11.1453 11.9877 12.0663 13.3816 13.4543 k = 0.5000-0.1413-0.1413 ( 4140 PWs) bands (ev): -5.2408 -5.2396 -4.7928 -4.7920 1.9175 1.9717 2.5126 2.5820 2.7537 2.7848 3.2085 3.2371 3.2857 3.3107 3.4475 3.4877 3.6520 3.6873 3.7556 3.8866 3.9859 4.0237 4.1933 4.2516 4.3577 4.4315 4.4505 4.5217 4.5764 4.6259 4.6735 4.7201 4.8153 4.8620 5.0979 5.1652 5.3064 5.4471 5.8684 5.9083 6.2297 6.2923 6.8168 6.9420 7.1691 7.3532 10.4408 10.4709 11.0237 11.0569 11.1103 11.1255 11.9622 12.0372 13.3830 13.4536 k = 0.5000-0.1304-0.1304 ( 4136 PWs) bands (ev): -5.2493 -5.2481 -4.7961 -4.7954 1.9349 1.9865 2.5373 2.6073 2.7546 2.7857 3.1991 3.2386 3.2754 3.3063 3.4450 3.4846 3.6526 3.6859 3.7651 3.8872 3.9943 4.0348 4.1989 4.2539 4.3634 4.4304 4.4479 4.5205 4.5786 4.6266 4.6792 4.7209 4.8182 4.8621 5.1039 5.1714 5.3288 5.4696 5.8858 5.9250 6.2445 6.3120 6.7927 6.9056 7.1299 7.2987 10.4849 10.5151 10.9812 11.0112 11.1303 11.1380 11.9396 12.0109 13.3866 13.4542 k = 0.5000-0.1196-0.1196 ( 4134 PWs) bands (ev): -5.2572 -5.2562 -4.7993 -4.7986 1.9521 2.0009 2.5612 2.6314 2.7556 2.7869 3.1871 3.2365 3.2661 3.3026 3.4438 3.4824 3.6535 3.6845 3.7754 3.8871 4.0039 4.0461 4.2049 4.2560 4.3695 4.4284 4.4457 4.5196 4.5803 4.6265 4.6850 4.7224 4.8204 4.8618 5.1099 5.1777 5.3528 5.4933 5.9008 5.9414 6.2557 6.3305 6.7679 6.8682 7.0900 7.2419 10.5296 10.5600 10.9353 10.9638 11.1519 11.1611 11.9199 11.9872 13.3922 13.4561 k = 0.5000-0.1087-0.1087 ( 4124 PWs) bands (ev): -5.2646 -5.2636 -4.8022 -4.8016 1.9690 2.0147 2.5842 2.6535 2.7577 2.7888 3.1727 3.2275 3.2619 3.2996 3.4438 3.4811 3.6546 3.6833 3.7860 3.8865 4.0145 4.0570 4.2113 4.2580 4.3760 4.4255 4.4443 4.5188 4.5815 4.6257 4.6908 4.7246 4.8222 4.8611 5.1160 5.1839 5.3787 5.5184 5.9136 5.9578 6.2627 6.3468 6.7425 6.8309 7.0509 7.1845 10.5728 10.6036 10.8926 10.9199 11.1741 11.1854 11.9030 11.9661 13.3997 13.4592 k = 0.5000-0.0978-0.0978 ( 4128 PWs) bands (ev): -5.2713 -5.2704 -4.8050 -4.8044 1.9855 2.0277 2.6057 2.6726 2.7619 2.7921 3.1562 3.2122 3.2619 3.2970 3.4447 3.4804 3.6559 3.6820 3.7964 3.8852 4.0258 4.0675 4.2180 4.2598 4.3827 4.4220 4.4436 4.5182 4.5819 4.6242 4.6962 4.7273 4.8236 4.8600 5.1223 5.1895 5.4064 5.5446 5.9241 5.9745 6.2648 6.3603 6.7170 6.7944 7.0137 7.1283 10.6112 10.6426 10.8566 10.8828 11.1957 11.2086 11.8886 11.9473 13.4088 13.4633 k = 0.5000-0.0870-0.0870 ( 4124 PWs) bands (ev): -5.2774 -5.2766 -4.8075 -4.8070 2.0012 2.0397 2.6254 2.6873 2.7693 2.7975 3.1382 3.1938 3.2637 3.2948 3.4465 3.4800 3.6573 3.6808 3.8064 3.8835 4.0375 4.0771 4.2249 4.2616 4.3894 4.4182 4.4437 4.5176 4.5816 4.6222 4.7014 4.7304 4.8247 4.8586 5.1286 5.1943 5.4358 5.5716 5.9329 5.9914 6.2616 6.3701 6.6917 6.7593 6.9796 7.0751 10.6400 10.6714 10.8324 10.8576 11.2159 11.2298 11.8766 11.9307 13.4195 13.4681 k = 0.5000-0.0761-0.0761 ( 4124 PWs) bands (ev): -5.2829 -5.2822 -4.8097 -4.8093 2.0160 2.0504 2.6429 2.6970 2.7802 2.8061 3.1192 3.1736 3.2658 3.2928 3.4488 3.4798 3.6589 3.6796 3.8157 3.8814 4.0491 4.0856 4.2318 4.2634 4.3955 4.4144 4.4450 4.5169 4.5809 4.6196 4.7063 4.7336 4.8257 4.8569 5.1351 5.1979 5.4667 5.5987 5.9403 6.0089 6.2528 6.3752 6.6674 6.7263 6.9493 7.0265 10.6530 10.6820 10.8269 10.8503 11.2343 11.2486 11.8670 11.9160 13.4312 13.4735 k = 0.5000-0.0652-0.0652 ( 4140 PWs) bands (ev): -5.2876 -5.2870 -4.8117 -4.8113 2.0296 2.0597 2.6576 2.7022 2.7934 2.8183 3.0997 3.1524 3.2681 3.2908 3.4516 3.4794 3.6604 3.6784 3.8241 3.8790 4.0603 4.0929 4.2386 4.2651 4.4000 4.4112 4.4476 4.5157 4.5799 4.6163 4.7110 4.7363 4.8268 4.8549 5.1417 5.2000 5.4989 5.6247 5.9471 6.0268 6.2389 6.3746 6.6452 6.6954 6.9235 6.9842 10.6495 10.6738 10.8402 10.8610 11.2504 11.2645 11.8596 11.9031 13.4436 13.4790 k = 0.5000-0.0543-0.0543 ( 4140 PWs) bands (ev): -5.2917 -5.2912 -4.8134 -4.8131 2.0419 2.0675 2.6696 2.7045 2.8079 2.8337 3.0805 3.1307 3.2703 3.2890 3.4548 3.4789 3.6621 3.6772 3.8317 3.8763 4.0709 4.0989 4.2451 4.2669 4.4021 4.4093 4.4521 4.5139 4.5792 4.6126 4.7156 4.7384 4.8281 4.8526 5.1485 5.2006 5.5317 5.6483 5.9543 6.0447 6.2212 6.3671 6.6260 6.6672 6.9027 6.9490 10.6367 10.6561 10.8631 10.8814 11.2644 11.2775 11.8543 11.8918 13.4561 13.4845 k = 0.5000-0.0435-0.0435 ( 4132 PWs) bands (ev): -5.2950 -5.2946 -4.8148 -4.8146 2.0528 2.0735 2.6788 2.7050 2.8233 2.8503 3.0625 3.1089 3.2724 3.2873 3.4582 3.4781 3.6637 3.6760 3.8386 3.8734 4.0804 4.1033 4.2511 4.2684 4.4018 4.4087 4.4583 4.5112 4.5792 4.6083 4.7201 4.7397 4.8297 4.8502 5.1554 5.1996 5.5645 5.6675 5.9630 6.0609 6.2029 6.3522 6.6107 6.6427 6.8869 6.9211 10.6216 10.6367 10.8877 10.9033 11.2760 11.2875 11.8509 11.8819 13.4682 13.4895 k = 0.5000-0.0326-0.0326 ( 4128 PWs) bands (ev): -5.2976 -5.2973 -4.8159 -4.8157 2.0620 2.0777 2.6859 2.7044 2.8394 2.8657 3.0471 3.0876 3.2744 3.2855 3.4615 3.4769 3.6654 3.6746 3.8447 3.8704 4.0887 4.1062 4.2564 4.2695 4.4009 4.4079 4.4657 4.5074 4.5801 4.6037 4.7244 4.7400 4.8317 4.8476 5.1624 5.1970 5.5961 5.6804 5.9745 6.0709 6.1905 6.3299 6.5997 6.6227 6.8759 6.9000 10.6081 10.6193 10.9100 10.9224 11.2854 11.2947 11.8495 11.8732 13.4790 13.4938 k = 0.5000-0.0217-0.0217 ( 4128 PWs) bands (ev): -5.2994 -5.2992 -4.8167 -4.8166 2.0695 2.0800 2.6912 2.7030 2.8551 2.8772 3.0365 3.0678 3.2764 3.2837 3.4648 3.4753 3.6670 3.6732 3.8502 3.8670 4.0956 4.1074 4.2610 4.2698 4.4007 4.4065 4.4737 4.5024 4.5822 4.5989 4.7285 4.7393 4.8340 4.8448 5.1693 5.1932 5.6252 5.6854 5.9897 6.0678 6.1928 6.3018 6.5929 6.6077 6.8694 6.8847 10.5982 10.6056 10.9277 10.9364 11.2926 11.2991 11.8498 11.8659 13.4880 13.4970 k = 0.5000-0.0109-0.0109 ( 4124 PWs) bands (ev): -5.3005 -5.3004 -4.8171 -4.8171 2.0751 2.0804 2.6953 2.7010 2.8690 2.8820 3.0332 3.0506 3.2783 3.2819 3.4680 3.4732 3.6687 3.6718 3.8550 3.8634 4.1010 4.1069 4.2648 4.2692 4.4014 4.4046 4.4817 4.4963 4.5854 4.5940 4.7321 4.7377 4.8365 4.8420 5.1761 5.1883 5.6502 5.6817 6.0087 6.0519 6.2110 6.2703 6.5903 6.5975 6.8671 6.8745 10.5927 10.5964 10.9397 10.9442 11.2976 11.3010 11.8517 11.8598 13.4943 13.4985 k = 0.5000-0.0000-0.0000 ( 4116 PWs) bands (ev): -5.3009 -5.3009 -4.8173 -4.8173 2.0787 2.0787 2.6985 2.6985 2.8788 2.8788 3.0383 3.0383 3.2801 3.2801 3.4708 3.4708 3.6703 3.6703 3.8594 3.8594 4.1048 4.1048 4.2675 4.2675 4.4028 4.4028 4.4894 4.4894 4.5894 4.5894 4.7353 4.7353 4.8393 4.8393 5.1825 5.1825 5.6696 5.6696 6.0304 6.0304 6.2387 6.2387 6.5919 6.5919 6.8688 6.8688 10.5920 10.5920 10.9453 10.9453 11.3005 11.3005 11.8550 11.8550 13.4978 13.4978 k = 0.5000-0.0000-0.0000 ( 4116 PWs) bands (ev): -5.3009 -5.3009 -4.8173 -4.8173 2.0787 2.0787 2.6985 2.6985 2.8788 2.8788 3.0383 3.0383 3.2801 3.2801 3.4708 3.4708 3.6703 3.6703 3.8594 3.8594 4.1048 4.1048 4.2675 4.2675 4.4028 4.4028 4.4894 4.4894 4.5894 4.5894 4.7353 4.7353 4.8393 4.8393 5.1825 5.1825 5.6696 5.6696 6.0304 6.0304 6.2387 6.2387 6.5919 6.5919 6.8688 6.8688 10.5920 10.5920 10.9453 10.9453 11.3005 11.3005 11.8550 11.8550 13.4978 13.4978 k = 0.5000-0.0109 0.0109 ( 4124 PWs) bands (ev): -5.3005 -5.3004 -4.8171 -4.8171 2.0750 2.0806 2.6929 2.7009 2.8715 2.8837 3.0362 3.0457 3.2786 3.2820 3.4678 3.4721 3.6688 3.6718 3.8579 3.8610 4.0961 4.1124 4.2571 4.2767 4.3956 4.4102 4.4801 4.4986 4.5850 4.5941 4.7305 4.7394 4.8368 4.8411 5.1793 5.1858 5.6572 5.6739 6.0043 6.0580 6.2087 6.2693 6.5863 6.6035 6.8673 6.8745 10.5916 10.5957 10.9436 10.9451 11.2978 11.3007 11.8526 11.8593 13.4786 13.4843 k = 0.5000-0.0217 0.0217 ( 4128 PWs) bands (ev): -5.2994 -5.2992 -4.8167 -4.8166 2.0695 2.0805 2.6840 2.7000 2.8632 2.8855 3.0402 3.0571 3.2775 3.2843 3.4632 3.4720 3.6675 3.6733 3.8563 3.8626 4.0866 4.1188 4.2458 4.2844 4.3892 4.4167 4.4718 4.5071 4.5809 4.5988 4.7255 4.7429 4.8340 4.8424 5.1765 5.1891 5.6375 5.6699 5.9818 6.0832 6.1840 6.2961 6.5884 6.6200 6.8702 6.8848 10.5941 10.6025 10.9400 10.9432 11.2929 11.2987 11.8520 11.8654 13.4391 13.4500 k = 0.5000-0.0326 0.0326 ( 4128 PWs) bands (ev): -5.2976 -5.2973 -4.8159 -4.8157 2.0622 2.0786 2.6720 2.6958 2.8551 2.8848 3.0495 3.0712 3.2767 3.2870 3.4571 3.4704 3.6662 3.6750 3.8547 3.8643 4.0762 4.1236 4.2341 4.2906 4.3843 4.4206 4.4661 4.5143 4.5774 4.6036 4.7204 4.7456 4.8307 4.8430 5.1742 5.1921 5.6117 5.6580 5.9635 6.0982 6.1722 6.3160 6.5994 6.6407 6.8777 6.9002 10.5990 10.6117 10.9353 10.9404 11.2855 11.2944 11.8532 11.8730 13.3921 13.4087 k = 0.5000-0.0435 0.0435 ( 4132 PWs) bands (ev): -5.2950 -5.2945 -4.8148 -4.8145 2.0532 2.0749 2.6570 2.6883 2.8482 2.8829 3.0628 3.0869 3.2760 3.2902 3.4495 3.4677 3.6651 3.6768 3.8529 3.8660 4.0650 4.1260 4.2231 4.2952 4.3810 4.4199 4.4648 4.5196 4.5748 4.6084 4.7154 4.7473 4.8272 4.8431 5.1723 5.1946 5.5812 5.6387 5.9493 6.0967 6.1778 6.3276 6.6192 6.6647 6.8900 6.9217 10.6049 10.6222 10.9307 10.9379 11.2758 11.2880 11.8559 11.8820 13.3432 13.3658 k = 0.5000-0.0543 0.0543 ( 4140 PWs) bands (ev): -5.2916 -5.2911 -4.8134 -4.8131 2.0427 2.0694 2.6394 2.6775 2.8428 2.8809 3.0786 3.1034 3.2754 3.2938 3.4407 3.4641 3.6642 3.6786 3.8509 3.8676 4.0529 4.1253 4.2138 4.2983 4.3792 4.4150 4.4673 4.5229 4.5733 4.6133 4.7107 4.7480 4.8233 4.8425 5.1709 5.1964 5.5478 5.6131 5.9384 6.0869 6.1905 6.3318 6.6463 6.6909 6.9072 6.9503 10.6103 10.6321 10.9278 10.9375 11.2640 11.2795 11.8600 11.8921 13.2948 13.3235 k = 0.5000-0.0652 0.0652 ( 4140 PWs) bands (ev): -5.2875 -5.2869 -4.8117 -4.8113 2.0307 2.0622 2.6195 2.6639 2.8392 2.8797 3.0955 3.1201 3.2747 3.2978 3.4310 3.4599 3.6635 3.6807 3.8485 3.8692 4.0398 4.1212 4.2074 4.3000 4.3787 4.4085 4.4716 4.5242 4.5725 4.6182 4.7066 4.7476 4.8194 4.8414 5.1698 5.1972 5.5130 5.5828 5.9300 6.0764 6.2008 6.3307 6.6790 6.7175 6.9294 6.9867 10.6129 10.6392 10.9291 10.9416 11.2500 11.2690 11.8651 11.9031 13.2482 13.2832 k = 0.5000-0.0761 0.0761 ( 4124 PWs) bands (ev): -5.2827 -5.2820 -4.8097 -4.8092 2.0173 2.0534 2.5978 2.6476 2.8371 2.8798 3.1123 3.1369 3.2739 3.3023 3.4208 3.4554 3.6631 3.6829 3.8455 3.8706 4.0257 4.1138 4.2042 4.3005 4.3784 4.4025 4.4758 4.5246 4.5722 4.6230 4.7032 4.7463 4.8153 4.8400 5.1686 5.1970 5.4781 5.5493 5.9231 6.0667 6.2056 6.3258 6.7154 6.7435 6.9563 7.0309 10.6108 10.6411 10.9369 10.9522 11.2343 11.2566 11.8708 11.9146 13.2045 13.2456 k = 0.5000-0.0870 0.0870 ( 4124 PWs) bands (ev): -5.2772 -5.2764 -4.8074 -4.8069 2.0028 2.0431 2.5748 2.6291 2.8364 2.8811 3.1277 3.1536 3.2726 3.3072 3.4104 3.4509 3.6631 3.6853 3.8418 3.8718 4.0108 4.1043 4.2035 4.2999 4.3767 4.3993 4.4787 4.5245 4.5718 4.6274 4.7005 4.7440 4.8112 4.8383 5.1667 5.1960 5.4441 5.5140 5.9168 6.0576 6.2048 6.3182 6.7528 6.7697 6.9872 7.0818 10.6028 10.6363 10.9529 10.9707 11.2170 11.2427 11.8770 11.9265 13.1643 13.2114 k = 0.5000-0.0978 0.0978 ( 4128 PWs) bands (ev): -5.2711 -5.2702 -4.8049 -4.8043 1.9874 2.0315 2.5507 2.6088 2.8368 2.8835 3.1410 3.1704 3.2708 3.3122 3.4001 3.4467 3.6635 3.6878 3.8371 3.8725 3.9954 4.0940 4.2043 4.2982 4.3732 4.3995 4.4799 4.5248 4.5711 4.6309 4.6984 4.7410 4.8071 4.8366 5.1634 5.1945 5.4117 5.4782 5.9104 6.0483 6.1993 6.3082 6.7826 6.8037 7.0215 7.1374 10.5888 10.6246 10.9771 10.9970 11.1988 11.2276 11.8834 11.9385 13.1282 13.1811 k = 0.5000-0.1087 0.1087 ( 4124 PWs) bands (ev): -5.2643 -5.2633 -4.8021 -4.8015 1.9711 2.0188 2.5259 2.5869 2.8383 2.8869 3.1518 3.1870 3.2685 3.3172 3.3906 3.4431 3.6646 3.6904 3.8314 3.8727 3.9803 4.0839 4.2060 4.2956 4.3690 4.4021 4.4794 4.5255 4.5702 4.6334 4.6968 4.7376 4.8031 4.8350 5.1576 5.1932 5.3812 5.4433 5.9031 6.0380 6.1905 6.2961 6.8050 6.8447 7.0583 7.1957 10.5699 10.6073 11.0086 11.0299 11.1803 11.2119 11.8899 11.9505 13.0967 13.1549 k = 0.5000-0.1196 0.1196 ( 4134 PWs) bands (ev): -5.2569 -5.2558 -4.7991 -4.7984 1.9542 2.0051 2.5005 2.5639 2.8406 2.8909 3.1598 3.2030 3.2656 3.3216 3.3821 3.4402 3.6665 3.6932 3.8243 3.8718 3.9665 4.0745 4.2080 4.2922 4.3652 4.4056 4.4777 4.5262 4.5694 4.6344 4.6952 4.7346 4.7991 4.8337 5.1485 5.1926 5.3524 5.4104 5.8945 6.0261 6.1795 6.2824 6.8252 6.8868 7.0966 7.2545 10.5476 10.5863 11.0449 11.0670 11.1630 11.1973 11.8964 11.9624 13.0701 13.1332 k = 0.5000-0.1304 0.1304 ( 4136 PWs) bands (ev): -5.2489 -5.2477 -4.7959 -4.7952 1.9369 1.9906 2.4747 2.5398 2.8434 2.8953 3.1653 3.2179 3.2624 3.3250 3.3752 3.4383 3.6692 3.6961 3.8160 3.8696 3.9550 4.0661 4.2101 4.2881 4.3624 4.4094 4.4752 4.5266 4.5688 4.6339 4.6930 4.7325 4.7952 4.8327 5.1362 5.1927 5.3245 5.3809 5.8840 6.0122 6.1671 6.2673 6.8445 6.9280 7.1351 7.3122 10.5235 10.5634 11.0817 11.1017 11.1517 11.1880 11.9032 11.9742 13.0486 13.1162 k = 0.5000-0.1413 0.1413 ( 4140 PWs) bands (ev): -5.2403 -5.2391 -4.7926 -4.7918 1.9193 1.9756 2.4487 2.5150 2.8467 2.8996 3.1685 3.2307 3.2595 3.3270 3.3702 3.4376 3.6730 3.6990 3.8067 3.8660 3.9468 4.0589 4.2122 4.2836 4.3606 4.4130 4.4726 4.5263 4.5688 4.6318 4.6897 4.7316 4.7914 4.8320 5.1211 5.1933 5.2965 5.3561 5.8714 5.9959 6.1539 6.2514 6.8629 6.9673 7.1727 7.3670 10.4993 10.5404 11.1041 11.1163 11.1653 11.1967 11.9104 11.9861 13.0323 13.1039 k = 0.5000-0.1522 0.1522 ( 4140 PWs) bands (ev): -5.2313 -5.2299 -4.7891 -4.7883 1.9018 1.9602 2.4224 2.4896 2.8501 2.9035 3.1699 3.2389 3.2588 3.3274 3.3672 3.4382 3.6778 3.7022 3.7969 3.8610 3.9419 4.0527 4.2141 4.2790 4.3597 4.4157 4.4704 4.5253 4.5692 4.6282 4.6855 4.7320 4.7877 4.8318 5.1042 5.1940 5.2681 5.3359 5.8563 5.9769 6.1406 6.2351 6.8802 7.0038 7.2080 7.4174 10.4764 10.5189 11.0987 11.1167 11.2025 11.2313 11.9185 11.9982 13.0210 13.0966 k = 0.5000-0.1630 0.1630 ( 4152 PWs) bands (ev): -5.2218 -5.2203 -4.7855 -4.7846 1.8844 1.9446 2.3961 2.4637 2.8532 2.9064 3.1700 3.2396 3.2629 3.3267 3.3659 3.4403 3.6834 3.7055 3.7872 3.8553 3.9401 4.0476 4.2157 4.2745 4.3593 4.4174 4.4688 4.5239 4.5699 4.6232 4.6806 4.7331 4.7842 4.8318 5.0860 5.1941 5.2402 5.3196 5.8386 5.9551 6.1276 6.2188 6.8960 7.0368 7.2397 7.4621 10.4561 10.5003 11.0895 11.1103 11.2477 11.2762 11.9279 12.0109 13.0148 13.0942 k = 0.5000-0.1739 0.1739 ( 4152 PWs) bands (ev): -5.2118 -5.2103 -4.7818 -4.7809 1.8674 1.9292 2.3698 2.4375 2.8557 2.9078 3.1695 3.2353 3.2689 3.3256 3.3666 3.4436 3.6897 3.7094 3.7784 3.8495 3.9407 4.0436 4.2171 4.2703 4.3594 4.4179 4.4680 4.5224 4.5705 4.6173 4.6756 4.7344 4.7812 4.8321 5.0675 5.1913 5.2155 5.3060 5.8183 5.9304 6.1151 6.2028 6.9096 7.0655 7.2667 7.4999 10.4396 10.4858 11.0834 11.1047 11.2946 11.3230 11.9391 12.0244 13.0133 13.0967 k = 0.5000-0.1848 0.1848 ( 4146 PWs) bands (ev): -5.2014 -5.1999 -4.7780 -4.7770 1.8509 1.9140 2.3436 2.4111 2.8571 2.9071 3.1688 3.2291 3.2739 3.3245 3.3696 3.4482 3.6958 3.7142 3.7711 3.8443 3.9432 4.0406 4.2183 4.2665 4.3598 4.4171 4.4678 4.5214 4.5705 4.6108 4.6705 4.7352 4.7788 4.8326 5.0490 5.1764 5.2036 5.2943 5.7952 5.9028 6.1036 6.1875 6.9205 7.0892 7.2881 7.5298 10.4280 10.4765 11.0822 11.1035 11.3407 11.3689 11.9527 12.0394 13.0165 13.1042 k = 0.5000-0.1957 0.1957 ( 4150 PWs) bands (ev): -5.1908 -5.1892 -4.7741 -4.7732 1.8350 1.8992 2.3175 2.3846 2.8567 2.9034 3.1686 3.2219 3.2775 3.3234 3.3751 3.4537 3.7008 3.7205 3.7658 3.8401 3.9472 4.0384 4.2191 4.2631 4.3601 4.4154 4.4678 4.5211 4.5692 4.6048 4.6654 4.7353 4.7773 4.8331 5.0310 5.1531 5.2011 5.2837 5.7696 5.8724 6.0930 6.1729 6.9279 7.1072 7.3030 7.5508 10.4223 10.4732 11.0871 11.1089 11.3845 11.4124 11.9693 12.0563 13.0240 13.1165 k = 0.5000-0.2065 0.2065 ( 4150 PWs) bands (ev): -5.1798 -5.1781 -4.7702 -4.7693 1.8200 1.8850 2.2918 2.3582 2.8538 2.8963 3.1694 3.2145 3.2805 3.3227 3.3831 3.4600 3.7045 3.7282 3.7627 3.8371 3.9523 4.0371 4.2198 4.2602 4.3602 4.4131 4.4676 4.5220 4.5656 4.6002 4.6604 4.7343 4.7766 4.8334 5.0139 5.1297 5.1996 5.2738 5.7415 5.8396 6.0834 6.1593 6.9315 7.1190 7.3108 7.5625 10.4232 10.4768 11.0989 11.1221 11.4249 11.4523 11.9892 12.0756 13.0358 13.1336 k = 0.5000-0.2174 0.2174 ( 4150 PWs) bands (ev): -5.1685 -5.1669 -4.7663 -4.7654 1.8059 1.8716 2.2665 2.3320 2.8473 2.8855 3.1712 3.2079 3.2840 3.3228 3.3931 3.4671 3.7072 3.7362 3.7620 3.8357 3.9584 4.0364 4.2203 4.2578 4.3599 4.4106 4.4668 4.5240 4.5594 4.5976 4.6554 4.7325 4.7768 4.8335 4.9977 5.1077 5.1977 5.2644 5.7113 5.8045 6.0747 6.1467 6.9306 7.1239 7.3113 7.5646 10.4315 10.4877 11.1184 11.1441 11.4611 11.4879 12.0128 12.0977 13.0518 13.1553 k = 0.5000-0.2283 0.2283 ( 4150 PWs) bands (ev): -5.1571 -5.1554 -4.7625 -4.7615 1.7929 1.8590 2.2416 2.3062 2.8364 2.8708 3.1741 3.2035 3.2884 3.3242 3.4046 3.4749 3.7096 3.7426 3.7648 3.8359 3.9654 4.0365 4.2206 4.2558 4.3593 4.4081 4.4652 4.5271 4.5512 4.5967 4.6505 4.7300 4.7777 4.8331 4.9826 5.0876 5.1947 5.2553 5.6789 5.7675 6.0669 6.1351 6.9249 7.1218 7.3043 7.5570 10.4476 10.5062 11.1460 11.1752 11.4927 11.5186 12.0401 12.1228 13.0719 13.1812 k = 0.5000-0.2391 0.2391 ( 4154 PWs) bands (ev): -5.1456 -5.1438 -4.7587 -4.7576 1.7810 1.8475 2.2174 2.2808 2.8201 2.8525 3.1775 3.2026 3.2943 3.3274 3.4173 3.4834 3.7118 3.7460 3.7713 3.8377 3.9732 4.0372 4.2208 4.2542 4.3581 4.4059 4.4630 4.5310 4.5419 4.5965 4.6459 4.7270 4.7789 4.8323 4.9686 5.0694 5.1903 5.2465 5.6448 5.7288 6.0597 6.1247 6.9142 7.1123 7.2899 7.5400 10.4720 10.5325 11.1818 11.2153 11.5196 11.5444 12.0709 12.1512 13.0959 13.2113 k = 0.5000-0.2500 0.2500 ( 4146 PWs) bands (ev): -5.1339 -5.1322 -4.7549 -4.7539 1.7704 1.8370 2.1939 2.2559 2.7983 2.8311 3.1813 3.2061 3.3018 3.3327 3.4309 3.4925 3.7143 3.7475 3.7801 3.8410 3.9816 4.0385 4.2209 4.2531 4.3565 4.4039 4.4601 4.5311 4.5366 4.5966 4.6419 4.7238 4.7805 4.8308 4.9556 5.0533 5.1841 5.2378 5.6091 5.6889 6.0532 6.1154 6.8985 7.0957 7.2686 7.5143 10.5047 10.5666 11.2254 11.2638 11.5422 11.5654 12.1049 12.1826 13.1239 13.2452 k = 0.5000-0.2609 0.2609 ( 4154 PWs) bands (ev): -5.1222 -5.1205 -4.7512 -4.7502 1.7611 1.8278 2.1712 2.2317 2.7714 2.8066 3.1861 3.2133 3.3111 3.3401 3.4451 3.5023 3.7171 3.7483 3.7895 3.8455 3.9905 4.0405 4.2207 4.2524 4.3544 4.4023 4.4567 4.5216 4.5410 4.5965 4.6388 4.7204 4.7820 4.8286 4.9438 5.0392 5.1758 5.2293 5.5721 5.6478 6.0472 6.1073 6.8780 7.0722 7.2408 7.4806 10.5459 10.6084 11.2759 11.3199 11.5612 11.5821 12.1416 12.2172 13.1556 13.2823 k = 0.5000-0.2717 0.2717 ( 4150 PWs) bands (ev): -5.1106 -5.1088 -4.7476 -4.7466 1.7532 1.8197 2.1495 2.2083 2.7401 2.7790 3.1930 3.2231 3.3222 3.3498 3.4600 3.5127 3.7202 3.7490 3.7988 3.8510 3.9996 4.0433 4.2203 4.2524 4.3520 4.4008 4.4529 4.5121 4.5458 4.5962 4.6368 4.7169 4.7835 4.8257 4.9330 5.0270 5.1653 5.2206 5.5341 5.6060 6.0416 6.1005 6.8528 7.0422 7.2072 7.4398 10.5952 10.6576 11.3316 11.3821 11.5776 11.5956 12.1808 12.2547 13.1909 13.3223 k = 0.5000-0.2826 0.2826 ( 4140 PWs) bands (ev): -5.0990 -5.0973 -4.7441 -4.7431 1.7467 1.8130 2.1287 2.1858 2.7056 2.7485 3.2024 3.2349 3.3350 3.3615 3.4754 3.5236 3.7237 3.7501 3.8078 3.8573 4.0085 4.0471 4.2195 4.2531 4.3495 4.3993 4.4486 4.5030 4.5504 4.5954 4.6360 4.7134 4.7848 4.8223 4.9232 5.0166 5.1527 5.2114 5.4952 5.5635 6.0366 6.0949 6.8235 7.0064 7.1684 7.3930 10.6523 10.7139 11.3897 11.4482 11.5928 11.6079 12.2224 12.2955 13.2294 13.3645 k = 0.5000-0.2935 0.2935 ( 4144 PWs) bands (ev): -5.0875 -5.0858 -4.7407 -4.7397 1.7417 1.8077 2.1090 2.1642 2.6684 2.7155 3.2141 3.2483 3.3493 3.3750 3.4912 3.5349 3.7274 3.7517 3.8162 3.8640 4.0167 4.0522 4.2184 4.2545 4.3469 4.3978 4.4440 4.4946 4.5544 4.5946 4.6364 4.7099 4.7857 4.8185 4.9143 5.0076 5.1380 5.2013 5.4559 5.5207 6.0321 6.0906 6.7904 6.9655 7.1253 7.3411 10.7168 10.7768 11.4454 11.5137 11.6083 11.6250 12.2664 12.3399 13.2707 13.4081 k = 0.5000-0.3043 0.3043 ( 4132 PWs) bands (ev): -5.0763 -5.0746 -4.7375 -4.7365 1.7382 1.8037 2.0904 2.1435 2.6295 2.6804 3.2279 3.2631 3.3650 3.3901 3.5073 3.5466 3.7313 3.7543 3.8242 3.8712 4.0239 4.0589 4.2169 4.2565 4.3446 4.3962 4.4391 4.4871 4.5575 4.5939 4.6376 4.7066 4.7859 4.8148 4.9063 5.0000 5.1213 5.1900 5.4163 5.4776 6.0283 6.0876 6.7544 6.9204 7.0787 7.2852 10.7879 10.8458 11.4914 11.5646 11.6334 11.6560 12.3136 12.3887 13.3144 13.4524 k = 0.5000-0.3152 0.3152 ( 4132 PWs) bands (ev): -5.0652 -5.0636 -4.7344 -4.7334 1.7363 1.8012 2.0730 2.1239 2.5892 2.6438 3.2437 3.2791 3.3817 3.4066 3.5234 3.5585 3.7354 3.7581 3.8319 3.8786 4.0299 4.0670 4.2151 4.2590 4.3425 4.3942 4.4339 4.4806 4.5595 4.5935 4.6393 4.7035 4.7853 4.8117 4.8991 4.9931 5.1027 5.1769 5.3766 5.4346 6.0251 6.0857 6.7160 6.8722 7.0292 7.2262 10.8647 10.9204 11.5217 11.5848 11.6821 11.7059 12.3646 12.4429 13.3600 13.4967 k = 0.5000-0.3261 0.3261 ( 4136 PWs) bands (ev): -5.0545 -5.0529 -4.7315 -4.7305 1.7359 1.8001 2.0567 2.1054 2.5480 2.6059 3.2610 3.2963 3.3992 3.4241 3.5395 3.5704 3.7395 3.7631 3.8393 3.8864 4.0349 4.0762 4.2131 4.2618 4.3407 4.3920 4.4283 4.4753 4.5602 4.5934 4.6411 4.7009 4.7836 4.8094 4.8926 4.9867 5.0825 5.1619 5.3373 5.3917 6.0228 6.0851 6.6759 6.8216 6.9775 7.1652 10.9463 10.9998 11.5383 11.5898 11.7406 11.7677 12.4207 12.5035 13.4068 13.5403 k = 0.5000-0.3370 0.3370 ( 4140 PWs) bands (ev): -5.0441 -5.0426 -4.7287 -4.7278 1.7370 1.8004 2.0417 2.0881 2.5064 2.5673 3.2797 3.3147 3.4172 3.4423 3.5553 3.5823 3.7439 3.7694 3.8467 3.8946 4.0393 4.0863 4.2110 4.2648 4.3396 4.3894 4.4225 4.4712 4.5596 4.5931 4.6427 4.6990 4.7808 4.8081 4.8868 4.9800 5.0612 5.1446 5.2985 5.3493 6.0216 6.0858 6.6349 6.7699 6.9244 7.1029 11.0315 11.0832 11.5469 11.5906 11.8005 11.8306 12.4828 12.5716 13.4542 13.5827 k = 0.5000-0.3478 0.3478 ( 4140 PWs) bands (ev): -5.0341 -5.0327 -4.7261 -4.7252 1.7398 1.8023 2.0280 2.0719 2.4646 2.5281 3.2993 3.3340 3.4356 3.4611 3.5706 3.5940 3.7489 3.7770 3.8541 3.9036 4.0436 4.0968 4.2089 4.2678 4.3390 4.3865 4.4166 4.4683 4.5581 4.5921 4.6441 4.6980 4.7773 4.8076 4.8817 4.9718 5.0397 5.1250 5.2606 5.3077 6.0216 6.0878 6.5937 6.7179 6.8704 7.0401 11.1186 11.1698 11.5511 11.5907 11.8578 11.8893 12.5520 12.6477 13.5018 13.6238 k = 0.5000-0.3587 0.3587 ( 4132 PWs) bands (ev): -5.0246 -5.0232 -4.7236 -4.7228 1.7442 1.8055 2.0154 2.0569 2.4230 2.4889 3.3197 3.3540 3.4541 3.4800 3.5851 3.6053 3.7547 3.7855 3.8618 3.9136 4.0481 4.1078 4.2070 4.2705 4.3391 4.3831 4.4109 4.4664 4.5557 4.5899 4.6451 4.6977 4.7735 4.8076 4.8775 4.9602 5.0196 5.1032 5.2237 5.2672 6.0230 6.0911 6.5529 6.6665 6.8160 6.9775 11.2052 11.2586 11.5530 11.5926 11.9103 11.9416 12.6285 12.7320 13.5489 13.6635 k = 0.5000-0.3696 0.3696 ( 4130 PWs) bands (ev): -5.0156 -5.0142 -4.7214 -4.7206 1.7502 1.8102 2.0041 2.0432 2.3817 2.4497 3.3405 3.3744 3.4725 3.4989 3.5987 3.6160 3.7615 3.7946 3.8700 3.9247 4.0529 4.1189 4.2051 4.2728 4.3398 4.3789 4.4059 4.4652 4.5526 4.5860 4.6458 4.6978 4.7694 4.8078 4.8739 4.9430 5.0032 5.0793 5.1881 5.2283 6.0259 6.0958 6.5131 6.6166 6.7617 6.9156 11.2877 11.3481 11.5538 11.5998 11.9570 11.9870 12.7120 12.8238 13.5950 13.7019 k = 0.5000-0.3804 0.3804 ( 4134 PWs) bands (ev): -5.0071 -5.0058 -4.7193 -4.7186 1.7578 1.8163 1.9939 2.0308 2.3409 2.4109 3.3613 3.3949 3.4907 3.5174 3.6112 3.6257 3.7696 3.8040 3.8789 3.9373 4.0584 4.1303 4.2035 4.2746 4.3411 4.3737 4.4022 4.4643 4.5489 4.5807 4.6462 4.6976 4.7652 4.8079 4.8710 4.9198 4.9904 5.0542 5.1536 5.1918 6.0306 6.1018 6.4750 6.5689 6.7080 6.8550 11.3599 11.4346 11.5566 11.6177 11.9977 12.0256 12.8017 12.9219 13.6395 13.7389 k = 0.5000-0.3913 0.3913 ( 4134 PWs) bands (ev): -4.9992 -4.9980 -4.7174 -4.7167 1.7670 1.8237 1.9848 2.0198 2.3009 2.3726 3.3819 3.4149 3.5086 3.5352 3.6223 3.6344 3.7790 3.8134 3.8891 3.9516 4.0648 4.1418 4.2022 4.2759 4.3428 4.3675 4.4000 4.4634 4.5446 4.5740 4.6461 4.6965 4.7605 4.8078 4.8685 4.8929 4.9795 5.0290 5.1205 5.1583 6.0371 6.1092 6.4389 6.5241 6.6552 6.7961 11.4142 11.5007 11.5782 11.6527 12.0330 12.0583 12.8962 13.0249 13.6820 13.7747 k = 0.5000-0.4022 0.4022 ( 4154 PWs) bands (ev): -4.9919 -4.9908 -4.7157 -4.7150 1.7778 1.8323 1.9767 2.0103 2.2618 2.3351 3.4018 3.4338 3.5261 3.5519 3.6321 3.6417 3.7896 3.8222 3.9007 3.9676 4.0722 4.1530 4.2012 4.2765 4.3446 4.3611 4.3993 4.4619 4.5398 4.5666 4.6450 4.6937 4.7550 4.8066 4.8617 4.8694 4.9684 5.0051 5.0891 5.1284 6.0456 6.1181 6.4053 6.4828 6.6037 6.7393 11.4473 11.5187 11.6454 11.7067 12.0636 12.0861 12.9941 13.1313 13.7218 13.8094 k = 0.5000-0.4130 0.4130 ( 4152 PWs) bands (ev): -4.9852 -4.9843 -4.7141 -4.7136 1.7903 1.8420 1.9695 2.0025 2.2238 2.2985 3.4208 3.4513 3.5433 3.5676 3.6403 3.6478 3.8009 3.8304 3.9146 3.9853 4.0807 4.1635 4.2009 4.2764 4.3457 4.3563 4.3998 4.4596 4.5345 4.5590 4.6427 4.6891 4.7478 4.8011 4.8396 4.8653 4.9560 4.9835 5.0602 5.1027 6.0562 6.1283 6.3745 6.4455 6.5537 6.6849 11.4645 11.5183 11.7274 11.7727 12.0905 12.1100 13.0940 13.2396 13.7586 13.8430 k = 0.5000-0.4239 0.4239 ( 4152 PWs) bands (ev): -4.9793 -4.9784 -4.7127 -4.7122 1.8043 1.8525 1.9630 1.9967 2.1870 2.2630 3.4385 3.4668 3.5601 3.5818 3.6470 3.6526 3.8122 3.8377 3.9310 4.0047 4.0903 4.1720 4.2015 4.2752 4.3444 4.3559 4.4013 4.4561 4.5282 4.5518 4.6388 4.6820 4.7380 4.7843 4.8286 4.8626 4.9428 4.9644 5.0350 5.0812 6.0690 6.1399 6.3468 6.4127 6.5056 6.6332 11.4730 11.5142 11.8075 11.8419 12.1147 12.1310 13.1945 13.3483 13.7917 13.8754 k = 0.5000-0.4348 0.4348 ( 4152 PWs) bands (ev): -4.9741 -4.9733 -4.7116 -4.7111 1.8198 1.8635 1.9571 1.9932 2.1518 2.2288 3.4546 3.4799 3.5764 3.5947 3.6518 3.6563 3.8228 3.8440 3.9502 4.0253 4.1007 4.1770 4.2035 4.2724 4.3431 4.3586 4.4039 4.4513 4.5203 4.5454 4.6334 4.6722 4.7250 4.7607 4.8276 4.8597 4.9300 4.9470 5.0149 5.0635 6.0841 6.1527 6.3221 6.3847 6.4597 6.5844 11.4772 11.5093 11.8809 11.9077 12.1374 12.1504 13.2944 13.4562 13.8206 13.9063 k = 0.5000-0.4457 0.4457 ( 4148 PWs) bands (ev): -4.9696 -4.9690 -4.7105 -4.7102 1.8368 1.8746 1.9517 1.9921 2.1185 2.1960 3.4688 3.4907 3.5918 3.6062 3.6548 3.6591 3.8321 3.8492 3.9724 4.0467 4.1115 4.1777 4.2067 4.2680 4.3445 4.3621 4.4079 4.4455 4.5102 4.5400 4.6270 4.6593 4.7096 4.7383 4.8305 4.8573 4.9176 4.9310 5.0008 5.0491 6.1015 6.1663 6.3004 6.3618 6.4165 6.5388 11.4792 11.5042 11.9446 11.9655 12.1598 12.1693 13.3924 13.5623 13.8444 13.9355 k = 0.5000-0.4565 0.4565 ( 4160 PWs) bands (ev): -4.9659 -4.9654 -4.7097 -4.7094 1.8550 1.8852 1.9469 1.9933 2.0878 2.1650 3.4810 3.4989 3.6059 3.6162 3.6561 3.6607 3.8398 3.8533 3.9969 4.0677 4.1221 4.1739 4.2100 4.2625 4.3492 4.3651 4.4132 4.4395 4.4980 4.5351 4.6201 4.6434 4.6947 4.7189 4.8351 4.8560 4.9053 4.9161 4.9929 5.0371 6.1213 6.1804 6.2817 6.3433 6.3778 6.4966 11.4804 11.4994 11.9960 12.0117 12.1826 12.1885 13.4873 13.6649 13.8623 13.9628 k = 0.5000-0.4674 0.4674 ( 4168 PWs) bands (ev): -4.9630 -4.9626 -4.7091 -4.7088 1.8740 1.8947 1.9430 1.9951 2.0619 2.1358 3.4911 3.5047 3.6185 3.6248 3.6561 3.6610 3.8460 3.8561 4.0230 4.0869 4.1315 4.1660 4.2132 4.2563 4.3563 4.3675 4.4174 4.4360 4.4858 4.5296 4.6134 4.6266 4.6828 4.7025 4.8411 4.8563 4.8936 4.9024 4.9905 5.0268 6.1435 6.1941 6.2656 6.3216 6.3520 6.4582 11.4812 11.4951 12.0339 12.0449 12.2051 12.2080 13.5774 13.7610 13.8743 13.9884 k = 0.5000-0.4783 0.4783 ( 4196 PWs) bands (ev): -4.9609 -4.9606 -4.7086 -4.7084 1.8924 1.9025 1.9411 1.9917 2.0472 2.1089 3.4989 3.5081 3.6289 3.6318 3.6552 3.6598 3.8507 3.8575 4.0494 4.1017 4.1384 4.1548 4.2175 4.2495 4.3641 4.3693 4.4167 4.4356 4.4788 4.5221 4.6071 4.6120 4.6751 4.6894 4.8483 4.8583 4.8832 4.8894 4.9921 5.0177 6.1681 6.2068 6.2519 6.2898 6.3469 6.4239 11.4823 11.4913 12.0590 12.0659 12.2247 12.2256 13.6605 13.8293 13.8974 14.0126 k = 0.5000-0.4891 0.4891 ( 4224 PWs) bands (ev): -4.9596 -4.9595 -4.7083 -4.7082 1.9064 1.9082 1.9448 1.9771 2.0501 2.0848 3.5045 3.5091 3.6364 3.6370 3.6542 3.6573 3.8542 3.8576 4.0747 4.1069 4.1416 4.1445 4.2242 4.2416 4.3700 4.3709 4.4162 4.4300 4.4841 4.5112 4.6020 4.6027 4.6721 4.6798 4.8565 4.8618 4.8746 4.8775 4.9963 5.0095 6.1950 6.2181 6.2401 6.2568 6.3543 6.3944 11.4837 11.4881 12.0734 12.0767 12.2380 12.2382 13.7332 13.8275 13.9683 14.0363 k = 0.5000-0.5000 0.5000 ( 4224 PWs) bands (ev): -4.9591 -4.9591 -4.7082 -4.7082 1.9107 1.9107 1.9584 1.9584 2.0645 2.0645 3.5080 3.5080 3.6392 3.6392 3.6548 3.6548 3.8565 3.8565 4.0961 4.0961 4.1418 4.1418 4.2327 4.2327 4.3720 4.3720 4.4212 4.4212 4.4973 4.4973 4.5999 4.5999 4.6739 4.6739 4.8649 4.8649 4.8689 4.8689 5.0023 5.0023 6.2225 6.2225 6.2313 6.2313 6.3707 6.3707 11.4856 11.4856 12.0791 12.0791 12.2427 12.2427 13.7907 13.7907 14.0411 14.0411 Writing output data file Ag3SI.save init_run : 0.26s CPU 1.58s WALL ( 1 calls) electrons : 672.36s CPU 721.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.65s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 672.36s CPU 721.47s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 359 calls) cegterg : 485.41s CPU 513.21s WALL ( 783 calls) Called by sum_band: Called by *egterg: h_psi : 302.12s CPU 325.85s WALL ( 12851 calls) s_psi : 14.40s CPU 14.92s WALL ( 12851 calls) g_psi : 0.20s CPU 0.27s WALL ( 11709 calls) cdiaghg : 135.08s CPU 135.23s WALL ( 12068 calls) cegterg:over : 26.00s CPU 28.26s WALL ( 11709 calls) cegterg:upda : 2.63s CPU 5.24s WALL ( 11709 calls) cegterg:last : 2.57s CPU 3.34s WALL ( 1860 calls) Called by h_psi: h_psi:vloc : 275.46s CPU 293.03s WALL ( 12851 calls) h_psi:vnl : 26.62s CPU 32.62s WALL ( 12851 calls) add_vuspsi : 12.17s CPU 14.29s WALL ( 12851 calls) General routines calbec : 14.44s CPU 18.30s WALL ( 12851 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 274.85s CPU 289.75s WALL ( 1328368 calls) davcio : 0.02s CPU 16.63s WALL ( 718 calls) Parallel routines fft_scatter : 265.50s CPU 245.98s WALL ( 1328383 calls) PWSCF : 12m50.34s CPU 16m15.81s WALL This run was terminated on: 10:59:36 25Nov2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=