Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 1:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbClF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 26 7 2151 1074 171 Max 42 27 8 2164 1095 176 Sum 1489 949 285 77557 38977 6269 bravais-lattice index = 14 lattice parameter (alat) = 7.7290 a.u. unit-cell volume = 813.9138 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.728979 celldm(2)= 1.000000 celldm(3)= 1.762836 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 1.762836 ) 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 0.567268 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 F 7.00 18.99840 F( 1.00) Pb 14.00 207.20000 Pb( 1.00) Cl 7.00 35.45300 Cl( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0128924), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0257849), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0386773), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0515698), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0644622), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.0773547), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.0902471), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1031396), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1160320), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1289245), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1418169), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1547094), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1676018), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.1804943), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.1933867), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2062792), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2191716), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2320641), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2449565), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2578489), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2707414), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.2836338), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.2836338), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.2836338), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.2836338), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.2836338), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.2836338), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.2836338), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.2836338), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.2836338), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.2836338), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.2836338), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.2836338), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.2836338), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.2836338), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.2836338), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.2836338), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.2836338), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.2836338), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.2836338), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.2836338), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.2836338), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.2836338), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.2836338), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.2836338), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.2836338), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.2836338), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.2836338), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.2836338), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.2836338), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.2836338), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.2836338), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.2836338), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.2836338), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.2836338), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.2836338), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.2836338), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.2836338), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.2836338), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.2836338), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.2836338), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.2836338), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.2836338), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.2836338), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.2836338), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.2836338), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.2836338), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.2836338), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.2836338), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.2836338), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.2836338), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.2836338), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.2836338), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.2836338), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.2836338), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.2836338), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.2836338), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.2836338), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.2836338), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.2836338), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.2836338), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.2836338), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.2836338), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.2836338), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.2836338), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.2836338), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.2836338), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.2836338), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.2836338), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.2836338), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.2836338), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.2836338), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.2836338), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.2836338), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.2836338), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.2836338), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.2836338), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.2836338), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.2836338), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.2836338), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.2836338), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545454 0.2836338), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454545 0.2836338), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.2836338), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.2836338), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.2836338), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.2836338), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.2836338), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.2836338), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.2836338), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.2836338), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.2836338), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.2836338), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454545 0.2836338), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.2836338), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.2836338), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.2836338), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.2836338), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.2836338), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.2836338), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.2836338), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.2836338), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.2836338), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.2836338), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.2836338), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.2836338), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.2836338), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.2836338), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.2836338), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.2836338), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.2836338), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.2836338), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.2836338), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.2836338), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545454 0.2836338), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.2836338), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.2836338), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.2836338), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.2836338), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.2836338), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.2836338), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.2836338), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.2836338), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.2836338), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.2836338), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545454 0.2836338), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454545 0.2836338), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.2836338), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.2836338), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.2836338), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.2836338), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0128924), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0257849), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0386773), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0515698), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.0644622), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.0773547), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.0902471), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1031396), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.1160320), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.1289245), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.1418169), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.1547094), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.1676018), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.1804943), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.1933867), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.2062792), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.2191716), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.2320641), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.2449565), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.2578489), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.2707414), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0128924), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0257849), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0386773), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0515698), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.0644622), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.0773547), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.0902471), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1031396), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.1160320), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.1289245), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.1418169), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.1547094), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.1676018), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.1804943), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.1933867), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.2062792), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.2191716), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.2320641), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.2449565), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.2578489), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.2707414), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 Dense grid: 77557 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 38977 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 272, 68) NL pseudopotentials 0.34 Mb ( 136, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2164) G-vector shells 0.01 Mb ( 1088) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.13 Mb ( 272, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.34 Mb ( 164, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PbClF.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.1 secs Computing kpt #: 21 total cpu time spent up to now is 14.6 secs Computing kpt #: 22 total cpu time spent up to now is 15.1 secs Computing kpt #: 23 total cpu time spent up to now is 15.6 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.5 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 19.8 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.2 secs Computing kpt #: 36 total cpu time spent up to now is 21.7 secs Computing kpt #: 37 total cpu time spent up to now is 22.2 secs Computing kpt #: 38 total cpu time spent up to now is 22.6 secs Computing kpt #: 39 total cpu time spent up to now is 23.1 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.8 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.2 secs Computing kpt #: 49 total cpu time spent up to now is 27.7 secs Computing kpt #: 50 total cpu time spent up to now is 28.2 secs Computing kpt #: 51 total cpu time spent up to now is 28.7 secs Computing kpt #: 52 total cpu time spent up to now is 29.2 secs Computing kpt #: 53 total cpu time spent up to now is 29.8 secs Computing kpt #: 54 total cpu time spent up to now is 30.3 secs Computing kpt #: 55 total cpu time spent up to now is 30.8 secs Computing kpt #: 56 total cpu time spent up to now is 31.3 secs Computing kpt #: 57 total cpu time spent up to now is 31.8 secs Computing kpt #: 58 total cpu time spent up to now is 32.2 secs Computing kpt #: 59 total cpu time spent up to now is 32.7 secs Computing kpt #: 60 total cpu time spent up to now is 33.2 secs Computing kpt #: 61 total cpu time spent up to now is 33.7 secs Computing kpt #: 62 total cpu time spent up to now is 34.2 secs Computing kpt #: 63 total cpu time spent up to now is 34.7 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.6 secs Computing kpt #: 66 total cpu time spent up to now is 36.1 secs Computing kpt #: 67 total cpu time spent up to now is 36.6 secs Computing kpt #: 68 total cpu time spent up to now is 37.1 secs Computing kpt #: 69 total cpu time spent up to now is 37.6 secs Computing kpt #: 70 total cpu time spent up to now is 38.0 secs Computing kpt #: 71 total cpu time spent up to now is 38.5 secs Computing kpt #: 72 total cpu time spent up to now is 39.0 secs Computing kpt #: 73 total cpu time spent up to now is 39.4 secs Computing kpt #: 74 total cpu time spent up to now is 39.9 secs Computing kpt #: 75 total cpu time spent up to now is 40.3 secs Computing kpt #: 76 total cpu time spent up to now is 40.8 secs Computing kpt #: 77 total cpu time spent up to now is 41.3 secs Computing kpt #: 78 total cpu time spent up to now is 41.7 secs Computing kpt #: 79 total cpu time spent up to now is 42.2 secs Computing kpt #: 80 total cpu time spent up to now is 42.6 secs Computing kpt #: 81 total cpu time spent up to now is 43.1 secs Computing kpt #: 82 total cpu time spent up to now is 43.5 secs Computing kpt #: 83 total cpu time spent up to now is 44.0 secs Computing kpt #: 84 total cpu time spent up to now is 44.4 secs Computing kpt #: 85 total cpu time spent up to now is 44.9 secs Computing kpt #: 86 total cpu time spent up to now is 45.3 secs Computing kpt #: 87 total cpu time spent up to now is 45.8 secs Computing kpt #: 88 total cpu time spent up to now is 46.3 secs Computing kpt #: 89 total cpu time spent up to now is 46.7 secs Computing kpt #: 90 total cpu time spent up to now is 47.2 secs Computing kpt #: 91 total cpu time spent up to now is 47.7 secs Computing kpt #: 92 total cpu time spent up to now is 48.1 secs Computing kpt #: 93 total cpu time spent up to now is 48.6 secs Computing kpt #: 94 total cpu time spent up to now is 49.1 secs Computing kpt #: 95 total cpu time spent up to now is 49.5 secs Computing kpt #: 96 total cpu time spent up to now is 50.0 secs Computing kpt #: 97 total cpu time spent up to now is 50.5 secs Computing kpt #: 98 total cpu time spent up to now is 50.9 secs Computing kpt #: 99 total cpu time spent up to now is 51.4 secs Computing kpt #: 100 total cpu time spent up to now is 51.8 secs Computing kpt #: 101 total cpu time spent up to now is 52.3 secs Computing kpt #: 102 total cpu time spent up to now is 52.8 secs Computing kpt #: 103 total cpu time spent up to now is 53.2 secs Computing kpt #: 104 total cpu time spent up to now is 53.7 secs Computing kpt #: 105 total cpu time spent up to now is 54.1 secs Computing kpt #: 106 total cpu time spent up to now is 54.6 secs Computing kpt #: 107 total cpu time spent up to now is 55.1 secs Computing kpt #: 108 total cpu time spent up to now is 55.5 secs Computing kpt #: 109 total cpu time spent up to now is 56.0 secs Computing kpt #: 110 total cpu time spent up to now is 56.4 secs Computing kpt #: 111 total cpu time spent up to now is 56.9 secs Computing kpt #: 112 total cpu time spent up to now is 57.3 secs Computing kpt #: 113 total cpu time spent up to now is 57.8 secs Computing kpt #: 114 total cpu time spent up to now is 58.3 secs Computing kpt #: 115 total cpu time spent up to now is 58.8 secs Computing kpt #: 116 total cpu time spent up to now is 59.2 secs Computing kpt #: 117 total cpu time spent up to now is 59.7 secs Computing kpt #: 118 total cpu time spent up to now is 60.2 secs Computing kpt #: 119 total cpu time spent up to now is 60.7 secs Computing kpt #: 120 total cpu time spent up to now is 61.2 secs Computing kpt #: 121 total cpu time spent up to now is 61.7 secs Computing kpt #: 122 total cpu time spent up to now is 62.3 secs Computing kpt #: 123 total cpu time spent up to now is 62.8 secs Computing kpt #: 124 total cpu time spent up to now is 63.3 secs Computing kpt #: 125 total cpu time spent up to now is 63.9 secs Computing kpt #: 126 total cpu time spent up to now is 64.4 secs Computing kpt #: 127 total cpu time spent up to now is 65.0 secs Computing kpt #: 128 total cpu time spent up to now is 65.6 secs Computing kpt #: 129 total cpu time spent up to now is 66.1 secs Computing kpt #: 130 total cpu time spent up to now is 66.7 secs Computing kpt #: 131 total cpu time spent up to now is 67.4 secs Computing kpt #: 132 total cpu time spent up to now is 68.0 secs Computing kpt #: 133 total cpu time spent up to now is 68.7 secs Computing kpt #: 134 total cpu time spent up to now is 69.3 secs Computing kpt #: 135 total cpu time spent up to now is 69.9 secs Computing kpt #: 136 total cpu time spent up to now is 70.5 secs Computing kpt #: 137 total cpu time spent up to now is 71.1 secs Computing kpt #: 138 total cpu time spent up to now is 71.8 secs Computing kpt #: 139 total cpu time spent up to now is 72.4 secs Computing kpt #: 140 total cpu time spent up to now is 73.0 secs Computing kpt #: 141 total cpu time spent up to now is 73.7 secs Computing kpt #: 142 total cpu time spent up to now is 74.3 secs Computing kpt #: 143 total cpu time spent up to now is 74.9 secs Computing kpt #: 144 total cpu time spent up to now is 75.6 secs Computing kpt #: 145 total cpu time spent up to now is 76.2 secs Computing kpt #: 146 total cpu time spent up to now is 76.8 secs Computing kpt #: 147 total cpu time spent up to now is 77.4 secs Computing kpt #: 148 total cpu time spent up to now is 78.1 secs Computing kpt #: 149 total cpu time spent up to now is 78.7 secs Computing kpt #: 150 total cpu time spent up to now is 79.3 secs Computing kpt #: 151 total cpu time spent up to now is 80.0 secs Computing kpt #: 152 total cpu time spent up to now is 80.6 secs Computing kpt #: 153 total cpu time spent up to now is 81.2 secs Computing kpt #: 154 total cpu time spent up to now is 81.9 secs Computing kpt #: 155 total cpu time spent up to now is 82.5 secs Computing kpt #: 156 total cpu time spent up to now is 83.2 secs Computing kpt #: 157 total cpu time spent up to now is 83.8 secs Computing kpt #: 158 total cpu time spent up to now is 84.4 secs Computing kpt #: 159 total cpu time spent up to now is 85.0 secs Computing kpt #: 160 total cpu time spent up to now is 85.7 secs Computing kpt #: 161 total cpu time spent up to now is 86.2 secs Computing kpt #: 162 total cpu time spent up to now is 86.8 secs Computing kpt #: 163 total cpu time spent up to now is 87.3 secs Computing kpt #: 164 total cpu time spent up to now is 87.9 secs Computing kpt #: 165 total cpu time spent up to now is 88.5 secs Computing kpt #: 166 total cpu time spent up to now is 89.0 secs Computing kpt #: 167 total cpu time spent up to now is 89.6 secs Computing kpt #: 168 total cpu time spent up to now is 90.1 secs Computing kpt #: 169 total cpu time spent up to now is 90.7 secs Computing kpt #: 170 total cpu time spent up to now is 91.2 secs Computing kpt #: 171 total cpu time spent up to now is 91.7 secs Computing kpt #: 172 total cpu time spent up to now is 92.2 secs Computing kpt #: 173 total cpu time spent up to now is 92.8 secs Computing kpt #: 174 total cpu time spent up to now is 93.3 secs Computing kpt #: 175 total cpu time spent up to now is 93.8 secs Computing kpt #: 176 total cpu time spent up to now is 94.2 secs Computing kpt #: 177 total cpu time spent up to now is 94.7 secs Computing kpt #: 178 total cpu time spent up to now is 95.2 secs Computing kpt #: 179 total cpu time spent up to now is 95.7 secs Computing kpt #: 180 total cpu time spent up to now is 96.2 secs Computing kpt #: 181 total cpu time spent up to now is 96.6 secs Computing kpt #: 182 total cpu time spent up to now is 97.1 secs Computing kpt #: 183 total cpu time spent up to now is 97.6 secs Computing kpt #: 184 total cpu time spent up to now is 98.1 secs Computing kpt #: 185 total cpu time spent up to now is 98.5 secs Computing kpt #: 186 total cpu time spent up to now is 99.0 secs Computing kpt #: 187 total cpu time spent up to now is 99.5 secs Computing kpt #: 188 total cpu time spent up to now is 99.9 secs Computing kpt #: 189 total cpu time spent up to now is 100.4 secs Computing kpt #: 190 total cpu time spent up to now is 100.8 secs Computing kpt #: 191 total cpu time spent up to now is 101.3 secs Computing kpt #: 192 total cpu time spent up to now is 101.8 secs Computing kpt #: 193 total cpu time spent up to now is 102.2 secs Computing kpt #: 194 total cpu time spent up to now is 102.7 secs Computing kpt #: 195 total cpu time spent up to now is 103.1 secs Computing kpt #: 196 total cpu time spent up to now is 103.6 secs Computing kpt #: 197 total cpu time spent up to now is 104.0 secs Computing kpt #: 198 total cpu time spent up to now is 104.5 secs Computing kpt #: 199 total cpu time spent up to now is 104.9 secs Computing kpt #: 200 total cpu time spent up to now is 105.4 secs Computing kpt #: 201 total cpu time spent up to now is 105.8 secs Computing kpt #: 202 total cpu time spent up to now is 106.3 secs Computing kpt #: 203 total cpu time spent up to now is 106.7 secs Computing kpt #: 204 total cpu time spent up to now is 107.2 secs Computing kpt #: 205 total cpu time spent up to now is 107.6 secs Computing kpt #: 206 total cpu time spent up to now is 108.1 secs Computing kpt #: 207 total cpu time spent up to now is 108.5 secs Computing kpt #: 208 total cpu time spent up to now is 109.0 secs Computing kpt #: 209 total cpu time spent up to now is 109.4 secs Computing kpt #: 210 total cpu time spent up to now is 109.9 secs Computing kpt #: 211 total cpu time spent up to now is 110.4 secs Computing kpt #: 212 total cpu time spent up to now is 110.8 secs Computing kpt #: 213 total cpu time spent up to now is 111.3 secs Computing kpt #: 214 total cpu time spent up to now is 111.7 secs Computing kpt #: 215 total cpu time spent up to now is 112.2 secs Computing kpt #: 216 total cpu time spent up to now is 112.7 secs Computing kpt #: 217 total cpu time spent up to now is 113.1 secs Computing kpt #: 218 total cpu time spent up to now is 113.6 secs Computing kpt #: 219 total cpu time spent up to now is 114.1 secs Computing kpt #: 220 total cpu time spent up to now is 114.6 secs Computing kpt #: 221 total cpu time spent up to now is 115.0 secs Computing kpt #: 222 total cpu time spent up to now is 115.5 secs Computing kpt #: 223 total cpu time spent up to now is 116.0 secs Computing kpt #: 224 total cpu time spent up to now is 116.5 secs Computing kpt #: 225 total cpu time spent up to now is 117.0 secs Computing kpt #: 226 total cpu time spent up to now is 117.5 secs Computing kpt #: 227 total cpu time spent up to now is 117.9 secs Computing kpt #: 228 total cpu time spent up to now is 118.4 secs Computing kpt #: 229 total cpu time spent up to now is 118.9 secs Computing kpt #: 230 total cpu time spent up to now is 119.3 secs Computing kpt #: 231 total cpu time spent up to now is 119.8 secs Computing kpt #: 232 total cpu time spent up to now is 120.3 secs Computing kpt #: 233 total cpu time spent up to now is 120.7 secs Computing kpt #: 234 total cpu time spent up to now is 121.2 secs Computing kpt #: 235 total cpu time spent up to now is 121.7 secs Computing kpt #: 236 total cpu time spent up to now is 122.1 secs Computing kpt #: 237 total cpu time spent up to now is 122.6 secs Computing kpt #: 238 total cpu time spent up to now is 123.1 secs Computing kpt #: 239 total cpu time spent up to now is 123.5 secs Computing kpt #: 240 total cpu time spent up to now is 124.0 secs Computing kpt #: 241 total cpu time spent up to now is 124.4 secs Computing kpt #: 242 total cpu time spent up to now is 124.9 secs Computing kpt #: 243 total cpu time spent up to now is 125.3 secs Computing kpt #: 244 total cpu time spent up to now is 125.8 secs Computing kpt #: 245 total cpu time spent up to now is 126.3 secs Computing kpt #: 246 total cpu time spent up to now is 126.7 secs Computing kpt #: 247 total cpu time spent up to now is 127.2 secs Computing kpt #: 248 total cpu time spent up to now is 127.6 secs Computing kpt #: 249 total cpu time spent up to now is 128.1 secs Computing kpt #: 250 total cpu time spent up to now is 128.6 secs Computing kpt #: 251 total cpu time spent up to now is 129.1 secs Computing kpt #: 252 total cpu time spent up to now is 129.5 secs Computing kpt #: 253 total cpu time spent up to now is 130.0 secs Computing kpt #: 254 total cpu time spent up to now is 130.5 secs Computing kpt #: 255 total cpu time spent up to now is 130.9 secs Computing kpt #: 256 total cpu time spent up to now is 131.4 secs Computing kpt #: 257 total cpu time spent up to now is 131.9 secs Computing kpt #: 258 total cpu time spent up to now is 132.4 secs Computing kpt #: 259 total cpu time spent up to now is 132.9 secs Computing kpt #: 260 total cpu time spent up to now is 133.3 secs Computing kpt #: 261 total cpu time spent up to now is 133.8 secs Computing kpt #: 262 total cpu time spent up to now is 134.3 secs Computing kpt #: 263 total cpu time spent up to now is 134.8 secs Computing kpt #: 264 total cpu time spent up to now is 135.2 secs Computing kpt #: 265 total cpu time spent up to now is 135.7 secs Computing kpt #: 266 total cpu time spent up to now is 136.2 secs Computing kpt #: 267 total cpu time spent up to now is 136.7 secs Computing kpt #: 268 total cpu time spent up to now is 137.1 secs Computing kpt #: 269 total cpu time spent up to now is 137.6 secs Computing kpt #: 270 total cpu time spent up to now is 138.1 secs Computing kpt #: 271 total cpu time spent up to now is 138.5 secs Computing kpt #: 272 total cpu time spent up to now is 139.0 secs Computing kpt #: 273 total cpu time spent up to now is 139.4 secs Computing kpt #: 274 total cpu time spent up to now is 139.9 secs Computing kpt #: 275 total cpu time spent up to now is 140.4 secs Computing kpt #: 276 total cpu time spent up to now is 140.9 secs Computing kpt #: 277 total cpu time spent up to now is 141.4 secs Computing kpt #: 278 total cpu time spent up to now is 141.9 secs Computing kpt #: 279 total cpu time spent up to now is 142.4 secs Computing kpt #: 280 total cpu time spent up to now is 142.9 secs Computing kpt #: 281 total cpu time spent up to now is 143.4 secs Computing kpt #: 282 total cpu time spent up to now is 143.9 secs Computing kpt #: 283 total cpu time spent up to now is 144.4 secs Computing kpt #: 284 total cpu time spent up to now is 144.9 secs Computing kpt #: 285 total cpu time spent up to now is 145.5 secs Computing kpt #: 286 total cpu time spent up to now is 146.0 secs Computing kpt #: 287 total cpu time spent up to now is 146.6 secs Computing kpt #: 288 total cpu time spent up to now is 147.1 secs Computing kpt #: 289 total cpu time spent up to now is 147.7 secs Computing kpt #: 290 total cpu time spent up to now is 148.2 secs Computing kpt #: 291 total cpu time spent up to now is 148.8 secs Computing kpt #: 292 total cpu time spent up to now is 149.3 secs Computing kpt #: 293 total cpu time spent up to now is 149.9 secs Computing kpt #: 294 total cpu time spent up to now is 150.5 secs Computing kpt #: 295 total cpu time spent up to now is 151.1 secs Computing kpt #: 296 total cpu time spent up to now is 151.5 secs Computing kpt #: 297 total cpu time spent up to now is 152.0 secs Computing kpt #: 298 total cpu time spent up to now is 152.4 secs Computing kpt #: 299 total cpu time spent up to now is 152.9 secs Computing kpt #: 300 total cpu time spent up to now is 153.4 secs Computing kpt #: 301 total cpu time spent up to now is 153.8 secs Computing kpt #: 302 total cpu time spent up to now is 154.3 secs Computing kpt #: 303 total cpu time spent up to now is 154.7 secs Computing kpt #: 304 total cpu time spent up to now is 155.2 secs Computing kpt #: 305 total cpu time spent up to now is 155.6 secs Computing kpt #: 306 total cpu time spent up to now is 156.1 secs Computing kpt #: 307 total cpu time spent up to now is 156.5 secs Computing kpt #: 308 total cpu time spent up to now is 157.0 secs Computing kpt #: 309 total cpu time spent up to now is 157.5 secs Computing kpt #: 310 total cpu time spent up to now is 157.9 secs Computing kpt #: 311 total cpu time spent up to now is 158.4 secs Computing kpt #: 312 total cpu time spent up to now is 158.8 secs Computing kpt #: 313 total cpu time spent up to now is 159.3 secs Computing kpt #: 314 total cpu time spent up to now is 159.7 secs Computing kpt #: 315 total cpu time spent up to now is 160.2 secs Computing kpt #: 316 total cpu time spent up to now is 160.6 secs Computing kpt #: 317 total cpu time spent up to now is 161.1 secs Computing kpt #: 318 total cpu time spent up to now is 161.5 secs Computing kpt #: 319 total cpu time spent up to now is 162.0 secs Computing kpt #: 320 total cpu time spent up to now is 162.4 secs Computing kpt #: 321 total cpu time spent up to now is 162.9 secs Computing kpt #: 322 total cpu time spent up to now is 163.3 secs Computing kpt #: 323 total cpu time spent up to now is 163.8 secs Computing kpt #: 324 total cpu time spent up to now is 164.2 secs Computing kpt #: 325 total cpu time spent up to now is 164.7 secs Computing kpt #: 326 total cpu time spent up to now is 165.1 secs Computing kpt #: 327 total cpu time spent up to now is 165.6 secs Computing kpt #: 328 total cpu time spent up to now is 166.0 secs Computing kpt #: 329 total cpu time spent up to now is 166.5 secs Computing kpt #: 330 total cpu time spent up to now is 166.9 secs Computing kpt #: 331 total cpu time spent up to now is 167.4 secs Computing kpt #: 332 total cpu time spent up to now is 167.9 secs Computing kpt #: 333 total cpu time spent up to now is 168.3 secs Computing kpt #: 334 total cpu time spent up to now is 168.8 secs Computing kpt #: 335 total cpu time spent up to now is 169.2 secs Computing kpt #: 336 total cpu time spent up to now is 169.7 secs Computing kpt #: 337 total cpu time spent up to now is 170.1 secs Computing kpt #: 338 total cpu time spent up to now is 170.6 secs Computing kpt #: 339 total cpu time spent up to now is 171.0 secs Computing kpt #: 340 total cpu time spent up to now is 171.5 secs Computing kpt #: 341 total cpu time spent up to now is 172.0 secs ethr = 1.79E-08, avg # of iterations = 14.3 total cpu time spent up to now is 172.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0312 -8.0312 -7.9946 -7.9946 -7.9730 -7.9730 -7.9459 -7.9459 -7.9083 -7.9083 -7.8741 -7.8741 -7.5640 -7.5640 -6.9863 -6.9863 -0.7505 -0.7505 0.8961 0.8961 1.8868 1.8868 2.0131 2.0131 3.1458 3.1458 3.4246 3.4246 3.5206 3.5206 4.0239 4.0239 4.0912 4.0912 4.3701 4.3701 4.4812 4.4812 4.7877 4.7877 4.9630 4.9630 5.6295 5.6295 9.9681 9.9681 10.4292 10.4292 12.4907 12.4907 12.7949 12.7949 13.1945 13.1945 13.4693 13.4693 k = 0.0000 0.0128-0.0000 ( 4861 PWs) bands (ev): -15.8590 -15.8590 -15.4187 -15.4187 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0313 -8.0313 -7.9945 -7.9945 -7.9729 -7.9729 -7.9459 -7.9459 -7.9084 -7.9084 -7.8740 -7.8740 -7.5634 -7.5634 -6.9862 -6.9862 -0.7512 -0.7512 0.8937 0.8937 1.8873 1.8873 2.0135 2.0135 3.1446 3.1446 3.4249 3.4249 3.5205 3.5205 4.0206 4.0206 4.0867 4.0867 4.3732 4.3732 4.4835 4.4835 4.7905 4.7905 4.9653 4.9653 5.6296 5.6296 9.9690 9.9690 10.4294 10.4294 12.4867 12.4867 12.7918 12.7918 13.1897 13.1897 13.4719 13.4719 k = 0.0000 0.0256-0.0000 ( 4873 PWs) bands (ev): -15.8584 -15.8584 -15.4193 -15.4193 -10.5205 -10.5205 -10.5168 -10.5168 -10.5085 -10.5085 -10.4483 -10.4483 -8.0313 -8.0313 -7.9943 -7.9943 -7.9727 -7.9727 -7.9461 -7.9461 -7.9087 -7.9087 -7.8739 -7.8739 -7.5616 -7.5616 -6.9860 -6.9860 -0.7532 -0.7532 0.8865 0.8865 1.8888 1.8888 2.0149 2.0149 3.1410 3.1410 3.4255 3.4255 3.5201 3.5201 4.0111 4.0111 4.0739 4.0739 4.3814 4.3814 4.4907 4.4907 4.7983 4.7983 4.9722 4.9722 5.6297 5.6297 9.9716 9.9716 10.4302 10.4302 12.4745 12.4745 12.7830 12.7830 13.1754 13.1754 13.4790 13.4790 k = 0.0000 0.0385-0.0000 ( 4865 PWs) bands (ev): -15.8575 -15.8575 -15.4201 -15.4201 -10.5205 -10.5205 -10.5167 -10.5167 -10.5083 -10.5083 -10.4483 -10.4483 -8.0314 -8.0314 -7.9940 -7.9940 -7.9723 -7.9723 -7.9462 -7.9462 -7.9091 -7.9091 -7.8737 -7.8737 -7.5587 -7.5587 -6.9857 -6.9857 -0.7566 -0.7566 0.8746 0.8746 1.8913 1.8913 2.0173 2.0173 3.1352 3.1352 3.4260 3.4260 3.5194 3.5194 3.9964 3.9964 4.0549 4.0549 4.3925 4.3925 4.5031 4.5031 4.8100 4.8100 4.9844 4.9844 5.6298 5.6298 9.9758 9.9758 10.4316 10.4316 12.4539 12.4539 12.7699 12.7699 13.1519 13.1519 13.4893 13.4893 k = 0.0000 0.0513-0.0000 ( 4871 PWs) bands (ev): -15.8562 -15.8562 -15.4213 -15.4213 -10.5204 -10.5204 -10.5167 -10.5167 -10.5081 -10.5081 -10.4482 -10.4482 -8.0315 -8.0315 -7.9936 -7.9936 -7.9718 -7.9718 -7.9465 -7.9465 -7.9098 -7.9098 -7.8734 -7.8734 -7.5546 -7.5546 -6.9852 -6.9852 -0.7612 -0.7612 0.8581 0.8581 1.8948 1.8948 2.0205 2.0205 3.1273 3.1273 3.4259 3.4259 3.5179 3.5179 3.9778 3.9778 4.0323 4.0323 4.4043 4.4043 4.5208 4.5208 4.8237 4.8237 5.0022 5.0022 5.6300 5.6300 9.9814 9.9814 10.4336 10.4336 12.4249 12.4249 12.7540 12.7540 13.1199 13.1199 13.5008 13.5008 k = 0.0000 0.0641-0.0000 ( 4869 PWs) bands (ev): -15.8545 -15.8545 -15.4228 -15.4228 -10.5203 -10.5203 -10.5165 -10.5165 -10.5077 -10.5077 -10.4481 -10.4481 -8.0315 -8.0315 -7.9932 -7.9932 -7.9712 -7.9712 -7.9467 -7.9467 -7.9106 -7.9106 -7.8731 -7.8731 -7.5494 -7.5494 -6.9846 -6.9846 -0.7671 -0.7671 0.8371 0.8371 1.8992 1.8992 2.0247 2.0247 3.1178 3.1178 3.4246 3.4246 3.5151 3.5151 3.9564 3.9564 4.0086 4.0086 4.4156 4.4156 4.5433 4.5433 4.8379 4.8379 5.0260 5.0260 5.6301 5.6301 9.9881 9.9881 10.4362 10.4362 12.3875 12.3875 12.7371 12.7371 13.0803 13.0803 13.5110 13.5110 k = 0.0000 0.0769-0.0000 ( 4877 PWs) bands (ev): -15.8524 -15.8524 -15.4247 -15.4247 -10.5203 -10.5203 -10.5164 -10.5164 -10.5074 -10.5074 -10.4480 -10.4480 -8.0315 -8.0315 -7.9926 -7.9926 -7.9706 -7.9706 -7.9470 -7.9470 -7.9115 -7.9115 -7.8726 -7.8726 -7.5432 -7.5432 -6.9839 -6.9839 -0.7740 -0.7740 0.8119 0.8119 1.9046 1.9046 2.0299 2.0299 3.1067 3.1067 3.4217 3.4217 3.5102 3.5102 3.9322 3.9322 3.9871 3.9871 4.4263 4.4263 4.5697 4.5697 4.8516 4.8516 5.0557 5.0557 5.6303 5.6303 9.9955 9.9955 10.4394 10.4394 12.3424 12.3424 12.7202 12.7202 13.0342 13.0342 13.5175 13.5175 k = 0.0000 0.0897-0.0000 ( 4873 PWs) bands (ev): -15.8500 -15.8500 -15.4269 -15.4269 -10.5201 -10.5201 -10.5162 -10.5162 -10.5069 -10.5069 -10.4478 -10.4478 -8.0314 -8.0314 -7.9920 -7.9920 -7.9698 -7.9698 -7.9473 -7.9473 -7.9126 -7.9126 -7.8722 -7.8722 -7.5359 -7.5359 -6.9831 -6.9831 -0.7821 -0.7821 0.7827 0.7827 1.9107 1.9107 2.0360 2.0360 3.0942 3.0942 3.4168 3.4168 3.5025 3.5025 3.9047 3.9047 3.9710 3.9710 4.4367 4.4367 4.5989 4.5989 4.8643 4.8643 5.0904 5.0904 5.6304 5.6304 10.0032 10.0032 10.4435 10.4435 12.2904 12.2904 12.7040 12.7040 12.9826 12.9826 13.5181 13.5181 k = 0.0000 0.1026-0.0000 ( 4877 PWs) bands (ev): -15.8473 -15.8473 -15.4294 -15.4294 -10.5200 -10.5200 -10.5160 -10.5160 -10.5064 -10.5064 -10.4477 -10.4477 -8.0313 -8.0313 -7.9913 -7.9913 -7.9690 -7.9690 -7.9476 -7.9476 -7.9138 -7.9138 -7.8717 -7.8717 -7.5276 -7.5276 -6.9822 -6.9822 -0.7910 -0.7910 0.7496 0.7496 1.9176 1.9176 2.0432 2.0432 3.0802 3.0802 3.4099 3.4099 3.4914 3.4914 3.8741 3.8741 3.9623 3.9623 4.4470 4.4470 4.6300 4.6300 4.8760 4.8760 5.1292 5.1292 5.6304 5.6304 10.0106 10.0106 10.4485 10.4485 12.2327 12.2327 12.6889 12.6889 12.9266 12.9266 13.5114 13.5114 k = 0.0000 0.1154-0.0000 ( 4885 PWs) bands (ev): -15.8442 -15.8442 -15.4323 -15.4323 -10.5199 -10.5199 -10.5157 -10.5157 -10.5058 -10.5058 -10.4475 -10.4475 -8.0310 -8.0310 -7.9907 -7.9907 -7.9683 -7.9683 -7.9477 -7.9477 -7.9151 -7.9151 -7.8712 -7.8712 -7.5184 -7.5184 -6.9813 -6.9813 -0.8008 -0.8008 0.7131 0.7131 1.9252 1.9252 2.0514 2.0514 3.0649 3.0649 3.4007 3.4007 3.4768 3.4768 3.8410 3.8410 3.9613 3.9613 4.4575 4.4575 4.6622 4.6622 4.8871 4.8871 5.1711 5.1711 5.6304 5.6304 10.0171 10.0171 10.4544 10.4544 12.1705 12.1705 12.6752 12.6752 12.8672 12.8672 13.4966 13.4966 k = 0.0000 0.1282-0.0000 ( 4899 PWs) bands (ev): -15.8407 -15.8407 -15.4355 -15.4355 -10.5198 -10.5198 -10.5155 -10.5155 -10.5051 -10.5051 -10.4474 -10.4474 -8.0306 -8.0306 -7.9900 -7.9900 -7.9676 -7.9676 -7.9478 -7.9478 -7.9165 -7.9165 -7.8707 -7.8707 -7.5083 -7.5083 -6.9803 -6.9803 -0.8113 -0.8113 0.6732 0.6732 1.9334 1.9334 2.0606 2.0606 3.0481 3.0481 3.3894 3.3894 3.4593 3.4593 3.8065 3.8065 3.9675 3.9675 4.4686 4.4686 4.6952 4.6952 4.8978 4.8978 5.2149 5.2149 5.6302 5.6302 10.0222 10.0222 10.4615 10.4615 12.1050 12.1050 12.6628 12.6628 12.8055 12.8055 13.4739 13.4739 k = 0.0000 0.1410-0.0000 ( 4891 PWs) bands (ev): -15.8369 -15.8369 -15.4390 -15.4390 -10.5197 -10.5197 -10.5152 -10.5152 -10.5044 -10.5044 -10.4472 -10.4472 -8.0300 -8.0300 -7.9893 -7.9893 -7.9670 -7.9670 -7.9476 -7.9476 -7.9179 -7.9179 -7.8702 -7.8702 -7.4973 -7.4973 -6.9794 -6.9794 -0.8223 -0.8223 0.6305 0.6305 1.9421 1.9421 2.0709 2.0709 3.0295 3.0295 3.3758 3.3758 3.4399 3.4399 3.7713 3.7713 3.9801 3.9801 4.4802 4.4802 4.7285 4.7285 4.9083 4.9083 5.2600 5.2600 5.6299 5.6299 10.0252 10.0252 10.4697 10.4697 12.0374 12.0374 12.6517 12.6517 12.7422 12.7422 13.4438 13.4438 k = 0.0000 0.1538-0.0000 ( 4887 PWs) bands (ev): -15.8328 -15.8328 -15.4428 -15.4428 -10.5196 -10.5196 -10.5148 -10.5148 -10.5036 -10.5036 -10.4470 -10.4470 -8.0292 -8.0292 -7.9886 -7.9886 -7.9665 -7.9665 -7.9473 -7.9473 -7.9194 -7.9194 -7.8698 -7.8698 -7.4856 -7.4856 -6.9784 -6.9784 -0.8337 -0.8337 0.5850 0.5850 1.9512 1.9512 2.0824 2.0824 3.0091 3.0091 3.3600 3.3600 3.4198 3.4198 3.7357 3.7357 3.9980 3.9980 4.4925 4.4925 4.7617 4.7617 4.9189 4.9189 5.3056 5.3056 5.6296 5.6296 10.0256 10.0256 10.4790 10.4790 11.9688 11.9688 12.6414 12.6414 12.6787 12.6787 13.4073 13.4073 k = 0.0000 0.1667-0.0000 ( 4875 PWs) bands (ev): -15.8283 -15.8283 -15.4469 -15.4469 -10.5195 -10.5195 -10.5145 -10.5145 -10.5026 -10.5026 -10.4468 -10.4468 -8.0282 -8.0282 -7.9879 -7.9879 -7.9662 -7.9662 -7.9468 -7.9468 -7.9209 -7.9209 -7.8693 -7.8693 -7.4732 -7.4732 -6.9775 -6.9775 -0.8453 -0.8453 0.5372 0.5372 1.9606 1.9606 2.0950 2.0950 2.9867 2.9867 3.3422 3.3422 3.3998 3.3998 3.7001 3.7001 4.0204 4.0204 4.5055 4.5055 4.7945 4.7945 4.9296 4.9296 5.3511 5.3511 5.6291 5.6291 10.0231 10.0231 10.4890 10.4890 11.9004 11.9004 12.6102 12.6102 12.6374 12.6374 13.3652 13.3652 k = 0.0000 0.1795-0.0000 ( 4875 PWs) bands (ev): -15.8236 -15.8236 -15.4513 -15.4513 -10.5194 -10.5194 -10.5142 -10.5142 -10.5016 -10.5016 -10.4467 -10.4467 -8.0270 -8.0270 -7.9872 -7.9872 -7.9661 -7.9661 -7.9460 -7.9460 -7.9224 -7.9224 -7.8689 -7.8689 -7.4601 -7.4601 -6.9767 -6.9767 -0.8571 -0.8571 0.4873 0.4873 1.9702 1.9702 2.1088 2.1088 2.9621 2.9621 3.3230 3.3230 3.3803 3.3803 3.6649 3.6649 4.0463 4.0463 4.5192 4.5192 4.8264 4.8264 4.9409 4.9409 5.3959 5.3959 5.6288 5.6288 10.0174 10.0174 10.4993 10.4993 11.8332 11.8332 12.5474 12.5474 12.6297 12.6297 13.3186 13.3186 k = 0.0000 0.1923-0.0000 ( 4871 PWs) bands (ev): -15.8185 -15.8185 -15.4560 -15.4560 -10.5193 -10.5193 -10.5139 -10.5139 -10.5005 -10.5005 -10.4465 -10.4465 -8.0257 -8.0257 -7.9865 -7.9865 -7.9662 -7.9662 -7.9451 -7.9451 -7.9239 -7.9239 -7.8686 -7.8686 -7.4463 -7.4463 -6.9760 -6.9760 -0.8687 -0.8687 0.4356 0.4356 1.9799 1.9799 2.1238 2.1238 2.9354 2.9354 3.3032 3.3032 3.3614 3.3614 3.6302 3.6302 4.0752 4.0752 4.5336 4.5336 4.8570 4.8570 4.9529 4.9529 5.4396 5.4396 5.6286 5.6286 10.0084 10.0084 10.5091 10.5091 11.7683 11.7683 12.4841 12.4841 12.6248 12.6248 13.2684 13.2684 k = 0.0000 0.2051-0.0000 ( 4873 PWs) bands (ev): -15.8131 -15.8131 -15.4610 -15.4610 -10.5192 -10.5192 -10.5137 -10.5137 -10.4994 -10.4994 -10.4464 -10.4464 -8.0241 -8.0241 -7.9858 -7.9858 -7.9664 -7.9664 -7.9440 -7.9440 -7.9254 -7.9254 -7.8684 -7.8684 -7.4321 -7.4321 -6.9755 -6.9755 -0.8801 -0.8801 0.3824 0.3824 1.9897 1.9897 2.1399 2.1399 2.9066 2.9066 3.2837 3.2837 3.3429 3.3429 3.5961 3.5961 4.1063 4.1063 4.5487 4.5487 4.8854 4.8854 4.9663 4.9663 5.4815 5.4815 5.6291 5.6291 9.9964 9.9964 10.5176 10.5176 11.7068 11.7068 12.4220 12.4220 12.6217 12.6217 13.2154 13.2154 k = 0.0000 0.2179-0.0000 ( 4877 PWs) bands (ev): -15.8074 -15.8074 -15.4663 -15.4663 -10.5191 -10.5191 -10.5134 -10.5134 -10.4981 -10.4981 -10.4463 -10.4463 -8.0224 -8.0224 -7.9852 -7.9852 -7.9667 -7.9667 -7.9428 -7.9428 -7.9268 -7.9268 -7.8683 -7.8683 -7.4174 -7.4174 -6.9751 -6.9751 -0.8910 -0.8910 0.3279 0.3279 1.9995 1.9995 2.1572 2.1572 2.8759 2.8759 3.2647 3.2647 3.3245 3.3245 3.5630 3.5630 4.1393 4.1393 4.5644 4.5644 4.9106 4.9106 4.9819 4.9819 5.5207 5.5207 5.6310 5.6310 9.9816 9.9816 10.5236 10.5236 11.6499 11.6499 12.3615 12.3615 12.6201 12.6201 13.1605 13.1605 k = 0.0000 0.2308-0.0000 ( 4875 PWs) bands (ev): -15.8015 -15.8015 -15.4719 -15.4719 -10.5189 -10.5189 -10.5132 -10.5132 -10.4967 -10.4967 -10.4462 -10.4462 -8.0205 -8.0205 -7.9845 -7.9845 -7.9671 -7.9671 -7.9416 -7.9416 -7.9281 -7.9281 -7.8682 -7.8682 -7.4022 -7.4022 -6.9750 -6.9750 -0.9014 -0.9014 0.2725 0.2725 2.0093 2.0093 2.1757 2.1757 2.8436 2.8436 3.2464 3.2464 3.3065 3.3065 3.5308 3.5308 4.1737 4.1737 4.5808 4.5808 4.9317 4.9317 5.0001 5.0001 5.5550 5.5550 5.6362 5.6362 9.9642 9.9642 10.5259 10.5259 11.5987 11.5987 12.3032 12.3032 12.6197 12.6197 13.1045 13.1045 k = 0.0000 0.2436-0.0000 ( 4871 PWs) bands (ev): -15.7953 -15.7953 -15.4777 -15.4777 -10.5188 -10.5188 -10.5131 -10.5131 -10.4953 -10.4953 -10.4461 -10.4461 -8.0184 -8.0184 -7.9839 -7.9839 -7.9676 -7.9676 -7.9405 -7.9405 -7.9292 -7.9292 -7.8683 -7.8683 -7.3866 -7.3866 -6.9752 -6.9752 -0.9110 -0.9110 0.2164 0.2164 2.0190 2.0190 2.1952 2.1952 2.8102 2.8102 3.2287 3.2287 3.2889 3.2889 3.4997 3.4997 4.2094 4.2094 4.5978 4.5978 4.9484 4.9484 5.0210 5.0210 5.5809 5.5809 5.6483 5.6483 9.9448 9.9448 10.5234 10.5234 11.5540 11.5540 12.2473 12.2473 12.6204 12.6204 13.0483 13.0483 k = 0.0000 0.2564-0.0000 ( 4875 PWs) bands (ev): -15.7888 -15.7888 -15.4838 -15.4838 -10.5187 -10.5187 -10.5129 -10.5129 -10.4938 -10.4938 -10.4461 -10.4461 -8.0161 -8.0161 -7.9832 -7.9832 -7.9681 -7.9681 -7.9395 -7.9395 -7.9300 -7.9300 -7.8685 -7.8685 -7.3708 -7.3708 -6.9756 -6.9756 -0.9197 -0.9197 0.1598 0.1598 2.0286 2.0286 2.2158 2.2158 2.7758 2.7758 3.2112 3.2112 3.2720 3.2720 3.4698 3.4698 4.2459 4.2459 4.6154 4.6154 4.9617 4.9617 5.0432 5.0432 5.5956 5.5956 5.6701 5.6701 9.9239 9.9239 10.5150 10.5150 11.5166 11.5166 12.1941 12.1941 12.6217 12.6217 12.9926 12.9926 k = 0.0000 0.2692-0.0000 ( 4877 PWs) bands (ev): -15.7821 -15.7821 -15.4901 -15.4901 -10.5186 -10.5186 -10.5128 -10.5128 -10.4921 -10.4921 -10.4462 -10.4462 -8.0137 -8.0137 -7.9827 -7.9827 -7.9686 -7.9686 -7.9390 -7.9390 -7.9303 -7.9303 -7.8688 -7.8688 -7.3547 -7.3547 -6.9764 -6.9764 -0.9274 -0.9274 0.1029 0.1029 2.0381 2.0381 2.2373 2.2373 2.7410 2.7410 3.1933 3.1933 3.2562 3.2562 3.4411 3.4411 4.2832 4.2832 4.6334 4.6334 4.9723 4.9723 5.0654 5.0654 5.6030 5.6030 5.6976 5.6976 9.9020 9.9020 10.5001 10.5001 11.4868 11.4868 12.1439 12.1439 12.6233 12.6233 12.9385 12.9385 k = 0.0000 0.2821-0.0000 ( 4875 PWs) bands (ev): -15.7751 -15.7751 -15.4966 -15.4966 -10.5184 -10.5184 -10.5128 -10.5128 -10.4905 -10.4905 -10.4463 -10.4463 -8.0112 -8.0112 -7.9821 -7.9821 -7.9692 -7.9692 -7.9390 -7.9390 -7.9299 -7.9299 -7.8692 -7.8692 -7.3384 -7.3384 -6.9775 -6.9775 -0.9338 -0.9338 0.0461 0.0461 2.0475 2.0475 2.2597 2.2597 2.7061 2.7061 3.1747 3.1747 3.2419 3.2419 3.4138 3.4138 4.3210 4.3210 4.6520 4.6520 4.9812 4.9812 5.0863 5.0863 5.6079 5.6079 5.7264 5.7264 9.8795 9.8795 10.4785 10.4785 11.4646 11.4646 12.0968 12.0968 12.6244 12.6244 12.8870 12.8870 k = 0.0000 0.2949-0.0000 ( 4867 PWs) bands (ev): -15.7679 -15.7679 -15.5034 -15.5034 -10.5183 -10.5183 -10.5127 -10.5127 -10.4887 -10.4887 -10.4464 -10.4464 -8.0086 -8.0086 -7.9815 -7.9815 -7.9697 -7.9697 -7.9396 -7.9396 -7.9289 -7.9289 -7.8698 -7.8698 -7.3219 -7.3219 -6.9791 -6.9791 -0.9388 -0.9388 -0.0105 -0.0105 2.0568 2.0568 2.2829 2.2829 2.6713 2.6713 3.1550 3.1550 3.2293 3.2293 3.3879 3.3879 4.3592 4.3592 4.6709 4.6709 4.9885 4.9885 5.1052 5.1052 5.6126 5.6126 5.7543 5.7543 9.8571 9.8571 10.4504 10.4504 11.4492 11.4492 12.0529 12.0529 12.6241 12.6241 12.8396 12.8396 k = 0.0000 0.3077-0.0000 ( 4854 PWs) bands (ev): -15.7605 -15.7605 -15.5104 -15.5104 -10.5181 -10.5181 -10.5127 -10.5127 -10.4869 -10.4869 -10.4466 -10.4466 -8.0059 -8.0059 -7.9810 -7.9810 -7.9702 -7.9702 -7.9405 -7.9405 -7.9276 -7.9276 -7.8705 -7.8705 -7.3054 -7.3054 -6.9811 -6.9811 -0.9423 -0.9423 -0.0667 -0.0667 2.0661 2.0661 2.3068 2.3068 2.6372 2.6372 3.1341 3.1341 3.2184 3.2184 3.3633 3.3633 4.3976 4.3976 4.6901 4.6901 4.9946 4.9946 5.1213 5.1213 5.6182 5.6182 5.7803 5.7803 9.8351 9.8351 10.4165 10.4165 11.4396 11.4396 12.0121 12.0121 12.6213 12.6213 12.7981 12.7981 k = 0.0000 0.3205-0.0000 ( 4856 PWs) bands (ev): -15.7530 -15.7530 -15.5177 -15.5177 -10.5180 -10.5180 -10.5127 -10.5127 -10.4851 -10.4851 -10.4469 -10.4469 -8.0031 -8.0031 -7.9804 -7.9804 -7.9707 -7.9707 -7.9416 -7.9416 -7.9260 -7.9260 -7.8714 -7.8714 -7.2888 -7.2888 -6.9836 -6.9836 -0.9442 -0.9442 -0.1222 -0.1222 2.0753 2.0753 2.3312 2.3312 2.6038 2.6038 3.1120 3.1120 3.2090 3.2090 3.3402 3.3402 4.4361 4.4361 4.7096 4.7096 4.9994 4.9994 5.1340 5.1340 5.6253 5.6253 5.8040 5.8040 9.8142 9.8142 10.3779 10.3779 11.4348 11.4348 11.9743 11.9743 12.6143 12.6143 12.7643 12.7643 k = 0.0000 0.3333-0.0000 ( 4856 PWs) bands (ev): -15.7452 -15.7452 -15.5251 -15.5251 -10.5178 -10.5178 -10.5128 -10.5128 -10.4832 -10.4832 -10.4473 -10.4473 -8.0003 -8.0003 -7.9799 -7.9799 -7.9712 -7.9712 -7.9428 -7.9428 -7.9242 -7.9242 -7.8724 -7.8724 -7.2723 -7.2723 -6.9866 -6.9866 -0.9444 -0.9444 -0.1770 -0.1770 2.0846 2.0846 2.3559 2.3559 2.5717 2.5717 3.0889 3.0889 3.2009 3.2009 3.3186 3.3186 4.4746 4.4746 4.7293 4.7293 5.0031 5.0031 5.1431 5.1431 5.6343 5.6343 5.8251 5.8251 9.7947 9.7947 10.3356 10.3356 11.4334 11.4334 11.9391 11.9391 12.6025 12.6025 12.7397 12.7397 k = 0.0000 0.3462-0.0000 ( 4856 PWs) bands (ev): -15.7373 -15.7373 -15.5327 -15.5327 -10.5176 -10.5176 -10.5129 -10.5129 -10.4813 -10.4813 -10.4477 -10.4477 -7.9975 -7.9975 -7.9795 -7.9795 -7.9716 -7.9716 -7.9440 -7.9440 -7.9223 -7.9223 -7.8735 -7.8735 -7.2558 -7.2558 -6.9902 -6.9902 -0.9426 -0.9426 -0.2308 -0.2308 2.0940 2.0940 2.3803 2.3803 2.5414 2.5414 3.0650 3.0650 3.1939 3.1939 3.2986 3.2986 4.5130 4.5130 4.7491 4.7491 5.0055 5.0055 5.1483 5.1483 5.6454 5.6454 5.8436 5.8436 9.7772 9.7772 10.2908 10.2908 11.4345 11.4345 11.9060 11.9060 12.5866 12.5866 12.7236 12.7236 k = 0.0000 0.3590-0.0000 ( 4856 PWs) bands (ev): -15.7292 -15.7292 -15.5405 -15.5405 -10.5174 -10.5174 -10.5130 -10.5130 -10.4794 -10.4794 -10.4482 -10.4482 -7.9948 -7.9948 -7.9790 -7.9790 -7.9719 -7.9719 -7.9453 -7.9453 -7.9204 -7.9204 -7.8748 -7.8748 -7.2395 -7.2395 -6.9943 -6.9943 -0.9389 -0.9389 -0.2834 -0.2834 2.1035 2.1035 2.4031 2.4031 2.5143 2.5143 3.0403 3.0403 3.1879 3.1879 3.2800 3.2800 4.5512 4.5512 4.7689 4.7689 5.0066 5.0066 5.1496 5.1496 5.6585 5.6585 5.8592 5.8592 9.7618 9.7618 10.2443 10.2443 11.4373 11.4373 11.8744 11.8744 12.5697 12.5697 12.7137 12.7137 k = 0.0000 0.3718-0.0000 ( 4854 PWs) bands (ev): -15.7209 -15.7209 -15.5484 -15.5484 -10.5173 -10.5173 -10.5131 -10.5131 -10.4775 -10.4775 -10.4488 -10.4488 -7.9921 -7.9921 -7.9786 -7.9786 -7.9721 -7.9721 -7.9466 -7.9466 -7.9184 -7.9184 -7.8762 -7.8762 -7.2233 -7.2233 -6.9991 -6.9991 -0.9331 -0.9331 -0.3347 -0.3347 2.1132 2.1132 2.4198 2.4198 2.4951 2.4951 3.0149 3.0149 3.1828 3.1828 3.2630 3.2630 4.5890 4.5890 4.7887 4.7887 5.0064 5.0064 5.1469 5.1469 5.6734 5.6734 5.8720 5.8720 9.7491 9.7491 10.1971 10.1971 11.4414 11.4414 11.8438 11.8438 12.5547 12.5547 12.7069 12.7069 k = 0.0000 0.3846-0.0000 ( 4864 PWs) bands (ev): -15.7126 -15.7126 -15.5565 -15.5565 -10.5171 -10.5171 -10.5133 -10.5133 -10.4756 -10.4756 -10.4495 -10.4495 -7.9896 -7.9896 -7.9782 -7.9782 -7.9722 -7.9722 -7.9479 -7.9479 -7.9163 -7.9163 -7.8777 -7.8777 -7.2074 -7.2074 -7.0044 -7.0044 -0.9252 -0.9252 -0.3845 -0.3845 2.1231 2.1231 2.4194 2.4194 2.4945 2.4945 2.9890 2.9890 3.1784 3.1784 3.2475 3.2475 4.6263 4.6263 4.8085 4.8085 5.0049 5.0049 5.1406 5.1406 5.6900 5.6900 5.8818 5.8818 9.7393 9.7393 10.1500 10.1500 11.4465 11.4465 11.8137 11.8137 12.5435 12.5435 12.7014 12.7014 k = 0.0000 0.3974-0.0000 ( 4860 PWs) bands (ev): -15.7041 -15.7041 -15.5647 -15.5647 -10.5169 -10.5169 -10.5135 -10.5135 -10.4737 -10.4737 -10.4503 -10.4503 -7.9873 -7.9873 -7.9779 -7.9779 -7.9721 -7.9721 -7.9493 -7.9493 -7.9141 -7.9141 -7.8794 -7.8794 -7.1918 -7.1918 -7.0104 -7.0104 -0.9150 -0.9150 -0.4327 -0.4327 2.1334 2.1334 2.4027 2.4027 2.5120 2.5120 2.9625 2.9625 3.1748 3.1748 3.2336 3.2336 4.6631 4.6631 4.8281 4.8281 5.0019 5.0019 5.1310 5.1310 5.7078 5.7078 5.8888 5.8888 9.7327 9.7327 10.1036 10.1036 11.4526 11.4526 11.7837 11.7837 12.5369 12.5369 12.6959 12.6959 k = 0.0000 0.4103-0.0000 ( 4858 PWs) bands (ev): -15.6955 -15.6955 -15.5731 -15.5731 -10.5167 -10.5167 -10.5136 -10.5136 -10.4718 -10.4718 -10.4512 -10.4512 -7.9852 -7.9852 -7.9776 -7.9776 -7.9718 -7.9718 -7.9507 -7.9507 -7.9120 -7.9120 -7.8811 -7.8811 -7.1765 -7.1765 -7.0171 -7.0171 -0.9025 -0.9025 -0.4792 -0.4792 2.1441 2.1441 2.3806 2.3806 2.5365 2.5365 2.9355 2.9355 3.1719 3.1719 3.2212 3.2212 4.6991 4.6991 4.8475 4.8475 4.9974 4.9974 5.1183 5.1183 5.7265 5.7265 5.8930 5.8930 9.7295 9.7295 10.0584 10.0584 11.4600 11.4600 11.7538 11.7538 12.5353 12.5353 12.6896 12.6896 k = 0.0000 0.4231-0.0000 ( 4848 PWs) bands (ev): -15.6869 -15.6869 -15.5815 -15.5815 -10.5165 -10.5165 -10.5138 -10.5138 -10.4699 -10.4699 -10.4521 -10.4521 -7.9835 -7.9835 -7.9774 -7.9774 -7.9711 -7.9711 -7.9521 -7.9521 -7.9098 -7.9098 -7.8830 -7.8830 -7.1616 -7.1616 -7.0244 -7.0244 -0.8876 -0.8876 -0.5239 -0.5239 2.1553 2.1553 2.3576 2.3576 2.5634 2.5634 2.9081 2.9081 3.1696 3.1696 3.2102 3.2102 4.7342 4.7342 4.8666 4.8666 4.9913 4.9913 5.1031 5.1031 5.7456 5.7456 5.8943 5.8943 9.7298 9.7298 10.0150 10.0150 11.4688 11.4688 11.7240 11.7240 12.5381 12.5381 12.6822 12.6822 k = 0.0000 0.4359-0.0000 ( 4848 PWs) bands (ev): -15.6781 -15.6781 -15.5901 -15.5901 -10.5162 -10.5162 -10.5140 -10.5140 -10.4681 -10.4681 -10.4532 -10.4532 -7.9821 -7.9821 -7.9774 -7.9774 -7.9700 -7.9700 -7.9536 -7.9536 -7.9075 -7.9075 -7.8850 -7.8850 -7.1471 -7.1471 -7.0324 -7.0324 -0.8704 -0.8704 -0.5666 -0.5666 2.1672 2.1672 2.3352 2.3352 2.5915 2.5915 2.8802 2.8802 3.1681 3.1681 3.2007 3.2007 4.7682 4.7682 4.8856 4.8856 4.9835 4.9835 5.0856 5.0856 5.7648 5.7648 5.8929 5.8929 9.7338 9.7338 9.9738 9.9738 11.4793 11.4793 11.6944 11.6944 12.5449 12.5449 12.6734 12.6734 k = 0.0000 0.4487-0.0000 ( 4852 PWs) bands (ev): -15.6693 -15.6693 -15.5988 -15.5988 -10.5160 -10.5160 -10.5142 -10.5142 -10.4663 -10.4663 -10.4543 -10.4543 -7.9810 -7.9810 -7.9775 -7.9775 -7.9686 -7.9686 -7.9551 -7.9551 -7.9052 -7.9052 -7.8871 -7.8871 -7.1330 -7.1330 -7.0410 -7.0410 -0.8507 -0.8507 -0.6073 -0.6073 2.1797 2.1797 2.3136 2.3136 2.6200 2.6200 2.8520 2.8520 3.1672 3.1672 3.1925 3.1925 4.8009 4.8009 4.9045 4.9045 4.9738 4.9738 5.0663 5.0663 5.7837 5.7837 5.8889 5.8889 9.7415 9.7415 9.9350 9.9350 11.4916 11.4916 11.6655 11.6655 12.5547 12.5547 12.6632 12.6632 k = 0.0000 0.4615-0.0000 ( 4854 PWs) bands (ev): -15.6605 -15.6605 -15.6075 -15.6075 -10.5158 -10.5158 -10.5145 -10.5145 -10.4646 -10.4646 -10.4556 -10.4556 -7.9801 -7.9801 -7.9777 -7.9777 -7.9670 -7.9670 -7.9567 -7.9567 -7.9029 -7.9029 -7.8892 -7.8892 -7.1195 -7.1195 -7.0503 -7.0503 -0.8287 -0.8287 -0.6458 -0.6458 2.1930 2.1930 2.2931 2.2931 2.6490 2.6490 2.8235 2.8235 3.1671 3.1671 3.1856 3.1856 4.8320 4.8320 4.9233 4.9233 4.9620 4.9620 5.0457 5.0457 5.8019 5.8019 5.8825 5.8825 9.7530 9.7530 9.8990 9.8990 11.5061 11.5061 11.6376 11.6376 12.5669 12.5669 12.6516 12.6516 k = 0.0000 0.4744-0.0000 ( 4854 PWs) bands (ev): -15.6517 -15.6517 -15.6162 -15.6162 -10.5156 -10.5156 -10.5147 -10.5147 -10.4629 -10.4629 -10.4569 -10.4569 -7.9795 -7.9795 -7.9779 -7.9779 -7.9653 -7.9653 -7.9583 -7.9583 -7.9006 -7.9006 -7.8914 -7.8914 -7.1065 -7.1065 -7.0603 -7.0603 -0.8042 -0.8042 -0.6821 -0.6821 2.2071 2.2071 2.2737 2.2737 2.6781 2.6781 2.7947 2.7947 3.1679 3.1679 3.1799 3.1799 4.8609 4.8609 4.9423 4.9423 4.9479 4.9479 5.0244 5.0244 5.8192 5.8192 5.8737 5.8737 9.7683 9.7683 9.8661 9.8661 11.5228 11.5228 11.6109 11.6109 12.5807 12.5807 12.6387 12.6387 k = 0.0000 0.4872-0.0000 ( 4850 PWs) bands (ev): -15.6428 -15.6428 -15.6251 -15.6251 -10.5154 -10.5154 -10.5149 -10.5149 -10.4613 -10.4613 -10.4583 -10.4583 -7.9790 -7.9790 -7.9782 -7.9782 -7.9635 -7.9635 -7.9600 -7.9600 -7.8983 -7.8983 -7.8937 -7.8937 -7.0940 -7.0940 -7.0709 -7.0709 -0.7772 -0.7772 -0.7162 -0.7162 2.2222 2.2222 2.2555 2.2555 2.7074 2.7074 2.7657 2.7657 3.1694 3.1694 3.1754 3.1754 4.8873 4.8873 4.9309 4.9309 4.9618 4.9618 5.0029 5.0029 5.8353 5.8353 5.8628 5.8628 9.7873 9.7873 9.8364 9.8364 11.5417 11.5417 11.5859 11.5859 12.5953 12.5953 12.6248 12.6248 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5152 -10.5152 -10.5152 -10.5152 -10.4597 -10.4597 -10.4597 -10.4597 -7.9786 -7.9786 -7.9786 -7.9786 -7.9618 -7.9618 -7.9618 -7.9618 -7.8960 -7.8960 -7.8960 -7.8960 -7.0822 -7.0822 -7.0822 -7.0822 -0.7479 -0.7479 -0.7479 -0.7479 2.2383 2.2383 2.2383 2.2383 2.7366 2.7366 2.7366 2.7366 3.1719 3.1719 3.1719 3.1719 4.9107 4.9107 4.9107 4.9107 4.9820 4.9820 4.9820 4.9820 5.8499 5.8499 5.8499 5.8499 9.8101 9.8101 9.8101 9.8101 11.5627 11.5627 11.5628 11.5628 12.6102 12.6102 12.6102 12.6102 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5152 -10.5152 -10.5152 -10.5152 -10.4597 -10.4597 -10.4597 -10.4597 -7.9786 -7.9786 -7.9786 -7.9786 -7.9618 -7.9618 -7.9618 -7.9618 -7.8960 -7.8960 -7.8960 -7.8960 -7.0822 -7.0822 -7.0822 -7.0822 -0.7479 -0.7479 -0.7479 -0.7479 2.2383 2.2383 2.2383 2.2383 2.7366 2.7366 2.7366 2.7366 3.1719 3.1719 3.1719 3.1719 4.9107 4.9107 4.9107 4.9107 4.9820 4.9820 4.9820 4.9820 5.8499 5.8499 5.8499 5.8499 9.8101 9.8101 9.8101 9.8101 11.5627 11.5627 11.5628 11.5628 12.6102 12.6102 12.6102 12.6102 k = 0.0128 0.5000-0.0000 ( 4854 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5153 -10.5153 -10.5150 -10.5150 -10.4608 -10.4608 -10.4586 -10.4586 -7.9815 -7.9815 -7.9764 -7.9764 -7.9632 -7.9632 -7.9598 -7.9598 -7.8975 -7.8975 -7.8944 -7.8944 -7.0837 -7.0837 -7.0798 -7.0798 -0.7476 -0.7476 -0.7475 -0.7475 2.2274 2.2274 2.2428 2.2428 2.7385 2.7385 2.7406 2.7406 3.1679 3.1679 3.1760 3.1760 4.8962 4.8962 4.9236 4.9236 4.9673 4.9673 4.9946 4.9946 5.8476 5.8476 5.8478 5.8478 9.7973 9.7973 9.8271 9.8271 11.5322 11.5322 11.5962 11.5962 12.5573 12.5573 12.6648 12.6648 k = 0.0256 0.5000-0.0000 ( 4854 PWs) bands (ev): -15.6339 -15.6339 -15.6338 -15.6338 -10.5154 -10.5154 -10.5147 -10.5147 -10.4620 -10.4620 -10.4575 -10.4575 -7.9851 -7.9851 -7.9750 -7.9750 -7.9641 -7.9641 -7.9574 -7.9574 -7.8988 -7.8988 -7.8928 -7.8928 -7.0844 -7.0844 -7.0767 -7.0767 -0.7468 -0.7468 -0.7466 -0.7466 2.2109 2.2109 2.2409 2.2409 2.7467 2.7467 2.7499 2.7499 3.1640 3.1640 3.1803 3.1803 4.8799 4.8799 4.9349 4.9349 4.9504 4.9504 5.0055 5.0055 5.8410 5.8410 5.8415 5.8415 9.7888 9.7888 9.8485 9.8485 11.5050 11.5050 11.6318 11.6318 12.5069 12.5069 12.7205 12.7205 k = 0.0385 0.5000-0.0000 ( 4852 PWs) bands (ev): -15.6338 -15.6338 -15.6337 -15.6337 -10.5154 -10.5154 -10.5144 -10.5144 -10.4631 -10.4631 -10.4565 -10.4565 -7.9892 -7.9892 -7.9742 -7.9742 -7.9645 -7.9645 -7.9550 -7.9550 -7.8999 -7.8999 -7.8912 -7.8912 -7.0843 -7.0843 -7.0727 -7.0727 -0.7453 -0.7453 -0.7450 -0.7450 2.1898 2.1898 2.2329 2.2329 2.7606 2.7606 2.7633 2.7633 3.1602 3.1602 3.1850 3.1850 4.8615 4.8615 4.9302 4.9302 4.9461 4.9461 5.0150 5.0150 5.8302 5.8302 5.8308 5.8308 9.7843 9.7843 9.8742 9.8742 11.4820 11.4820 11.6687 11.6687 12.4594 12.4594 12.7767 12.7767 k = 0.0513 0.5000-0.0000 ( 4848 PWs) bands (ev): -15.6337 -15.6337 -15.6336 -15.6336 -10.5154 -10.5154 -10.5141 -10.5141 -10.4641 -10.4641 -10.4554 -10.4554 -7.9938 -7.9938 -7.9739 -7.9739 -7.9646 -7.9646 -7.9526 -7.9526 -7.9006 -7.9006 -7.8898 -7.8898 -7.0833 -7.0833 -7.0681 -7.0681 -0.7433 -0.7433 -0.7429 -0.7429 2.1653 2.1653 2.2199 2.2199 2.7792 2.7792 2.7795 2.7795 3.1567 3.1567 3.1901 3.1901 4.8409 4.8409 4.9082 4.9082 4.9554 4.9554 5.0233 5.0233 5.8152 5.8152 5.8160 5.8160 9.7836 9.7836 9.9041 9.9041 11.4634 11.4634 11.7060 11.7060 12.4157 12.4157 12.8329 12.8329 k = 0.0641 0.5000-0.0000 ( 4848 PWs) bands (ev): -15.6335 -15.6335 -15.6334 -15.6334 -10.5154 -10.5154 -10.5137 -10.5137 -10.4652 -10.4652 -10.4544 -10.4544 -7.9986 -7.9986 -7.9740 -7.9740 -7.9644 -7.9644 -7.9506 -7.9506 -7.9009 -7.9009 -7.8884 -7.8884 -7.0815 -7.0815 -7.0627 -7.0627 -0.7407 -0.7407 -0.7402 -0.7402 2.1383 2.1383 2.2028 2.2028 2.7972 2.7972 2.8011 2.8011 3.1535 3.1535 3.1961 3.1961 4.8180 4.8180 4.8832 4.8832 4.9643 4.9643 5.0307 5.0307 5.7963 5.7963 5.7972 5.7972 9.7865 9.7865 9.9379 9.9379 11.4497 11.4497 11.7426 11.7426 12.3767 12.3767 12.8885 12.8885 k = 0.0769 0.5000-0.0000 ( 4848 PWs) bands (ev): -15.6333 -15.6333 -15.6332 -15.6332 -10.5153 -10.5153 -10.5134 -10.5134 -10.4662 -10.4662 -10.4535 -10.4535 -8.0036 -8.0036 -7.9745 -7.9745 -7.9639 -7.9639 -7.9489 -7.9489 -7.9007 -7.9007 -7.8871 -7.8871 -7.0789 -7.0789 -7.0567 -7.0567 -0.7376 -0.7376 -0.7371 -0.7371 2.1097 2.1097 2.1829 2.1829 2.8153 2.8153 2.8251 2.8251 3.1510 3.1510 3.2030 3.2030 4.7926 4.7926 4.8556 4.8556 4.9725 4.9725 5.0375 5.0375 5.7737 5.7737 5.7746 5.7746 9.7924 9.7924 9.9754 9.9754 11.4412 11.4412 11.7772 11.7772 12.3434 12.3434 12.9429 12.9429 k = 0.0897 0.5000-0.0000 ( 4840 PWs) bands (ev): -15.6331 -15.6331 -15.6329 -15.6329 -10.5152 -10.5152 -10.5129 -10.5129 -10.4672 -10.4672 -10.4525 -10.4525 -8.0086 -8.0086 -7.9756 -7.9756 -7.9632 -7.9632 -7.9475 -7.9475 -7.8998 -7.8998 -7.8860 -7.8860 -7.0754 -7.0754 -7.0501 -7.0501 -0.7340 -0.7340 -0.7334 -0.7334 2.0804 2.0804 2.1610 2.1610 2.8327 2.8327 2.8497 2.8497 3.1497 3.1497 3.2114 3.2114 4.7649 4.7649 4.8252 4.8252 4.9804 4.9804 5.0438 5.0438 5.7476 5.7476 5.7486 5.7486 9.8012 9.8012 10.0161 10.0161 11.4380 11.4380 11.8084 11.8084 12.3170 12.3170 12.9956 12.9956 k = 0.1026 0.5000-0.0000 ( 4848 PWs) bands (ev): -15.6328 -15.6328 -15.6327 -15.6327 -10.5150 -10.5150 -10.5125 -10.5125 -10.4681 -10.4681 -10.4517 -10.4517 -8.0137 -8.0137 -7.9771 -7.9771 -7.9623 -7.9623 -7.9463 -7.9463 -7.8985 -7.8985 -7.8851 -7.8851 -7.0712 -7.0712 -7.0430 -7.0430 -0.7300 -0.7300 -0.7293 -0.7293 2.0510 2.0510 2.1380 2.1380 2.8486 2.8486 2.8733 2.8733 3.1503 3.1503 3.2213 3.2213 4.7348 4.7348 4.7921 4.7921 4.9878 4.9878 5.0499 5.0499 5.7183 5.7183 5.7194 5.7194 9.8125 9.8125 10.0597 10.0597 11.4403 11.4403 11.8346 11.8346 12.2986 12.2986 13.0459 13.0459 k = 0.1154 0.5000-0.0000 ( 4836 PWs) bands (ev): -15.6325 -15.6325 -15.6323 -15.6323 -10.5149 -10.5149 -10.5121 -10.5121 -10.4690 -10.4690 -10.4508 -10.4508 -8.0188 -8.0188 -7.9792 -7.9792 -7.9612 -7.9612 -7.9453 -7.9453 -7.8968 -7.8968 -7.8842 -7.8842 -7.0663 -7.0663 -7.0353 -7.0353 -0.7256 -0.7256 -0.7248 -0.7248 2.0220 2.0220 2.1146 2.1146 2.8623 2.8623 2.8946 2.8946 3.1535 3.1535 3.2332 3.2332 4.7024 4.7024 4.7565 4.7565 4.9947 4.9947 5.0556 5.0556 5.6862 5.6862 5.6875 5.6875 9.8258 9.8258 10.1056 10.1056 11.4481 11.4481 11.8547 11.8547 12.2893 12.2893 13.0934 13.0934 k = 0.1282 0.5000-0.0000 ( 4852 PWs) bands (ev): -15.6322 -15.6322 -15.6320 -15.6320 -10.5147 -10.5147 -10.5117 -10.5117 -10.4697 -10.4697 -10.4500 -10.4500 -8.0239 -8.0239 -7.9818 -7.9818 -7.9599 -7.9599 -7.9444 -7.9444 -7.8947 -7.8947 -7.8835 -7.8835 -7.0607 -7.0607 -7.0272 -7.0272 -0.7208 -0.7208 -0.7200 -0.7200 1.9937 1.9937 2.0914 2.0914 2.8732 2.8732 2.9121 2.9121 3.1603 3.1603 3.2470 3.2470 4.6678 4.6678 4.7184 4.7184 5.0013 5.0013 5.0612 5.0612 5.6517 5.6517 5.6534 5.6534 9.8408 9.8408 10.1533 10.1533 11.4614 11.4614 11.8679 11.8679 12.2894 12.2894 13.1375 13.1375 k = 0.1410 0.5000-0.0000 ( 4856 PWs) bands (ev): -15.6319 -15.6319 -15.6317 -15.6317 -10.5144 -10.5144 -10.5113 -10.5113 -10.4704 -10.4704 -10.4493 -10.4493 -8.0289 -8.0289 -7.9850 -7.9850 -7.9585 -7.9585 -7.9434 -7.9434 -7.8924 -7.8924 -7.8829 -7.8829 -7.0544 -7.0544 -7.0187 -7.0187 -0.7158 -0.7158 -0.7149 -0.7149 1.9665 1.9665 2.0687 2.0687 2.8811 2.8811 2.9247 2.9247 3.1715 3.1715 3.2629 3.2629 4.6311 4.6311 4.6780 4.6780 5.0072 5.0072 5.0664 5.0664 5.6155 5.6155 5.6178 5.6178 9.8572 9.8572 10.2021 10.2021 11.4798 11.4798 11.8748 11.8748 12.2982 12.2982 13.1778 13.1778 k = 0.1538 0.5000-0.0000 ( 4856 PWs) bands (ev): -15.6315 -15.6315 -15.6313 -15.6313 -10.5142 -10.5142 -10.5109 -10.5109 -10.4709 -10.4709 -10.4486 -10.4486 -8.0339 -8.0339 -7.9886 -7.9886 -7.9568 -7.9568 -7.9424 -7.9424 -7.8899 -7.8899 -7.8825 -7.8825 -7.0475 -7.0475 -7.0099 -7.0099 -0.7106 -0.7106 -0.7097 -0.7097 1.9409 1.9409 2.0469 2.0469 2.8860 2.8860 2.9319 2.9319 3.1871 3.1871 3.2807 3.2807 4.5925 4.5925 4.6353 4.6353 5.0125 5.0125 5.0712 5.0712 5.5780 5.5780 5.5811 5.5811 9.8747 9.8747 10.2514 10.2514 11.5030 11.5030 11.8766 11.8766 12.3143 12.3143 13.2138 13.2138 k = 0.1667 0.5000-0.0000 ( 4858 PWs) bands (ev): -15.6311 -15.6311 -15.6309 -15.6309 -10.5139 -10.5139 -10.5105 -10.5105 -10.4714 -10.4714 -10.4480 -10.4480 -8.0387 -8.0387 -7.9926 -7.9926 -7.9550 -7.9550 -7.9412 -7.9412 -7.8874 -7.8874 -7.8821 -7.8821 -7.0400 -7.0400 -7.0008 -7.0008 -0.7053 -0.7053 -0.7042 -0.7042 1.9169 1.9169 2.0265 2.0265 2.8878 2.8878 2.9340 2.9340 3.2067 3.2067 3.3001 3.3001 4.5521 4.5521 4.5905 4.5905 5.0168 5.0168 5.0753 5.0753 5.5399 5.5399 5.5443 5.5443 9.8932 9.8932 10.3006 10.3006 11.5308 11.5308 11.8752 11.8752 12.3356 12.3356 13.2451 13.2451 k = 0.1795 0.5000-0.0000 ( 4858 PWs) bands (ev): -15.6307 -15.6307 -15.6304 -15.6304 -10.5137 -10.5137 -10.5102 -10.5102 -10.4717 -10.4717 -10.4474 -10.4474 -8.0433 -8.0433 -7.9969 -7.9969 -7.9531 -7.9531 -7.9400 -7.9400 -7.8849 -7.8849 -7.8819 -7.8819 -7.0321 -7.0321 -6.9916 -6.9916 -0.6998 -0.6998 -0.6988 -0.6988 1.8948 1.8948 2.0075 2.0075 2.8869 2.8869 2.9317 2.9317 3.2294 3.2294 3.3207 3.3207 4.5098 4.5098 4.5435 4.5435 5.0198 5.0198 5.0783 5.0783 5.5022 5.5022 5.5082 5.5082 9.9123 9.9123 10.3488 10.3488 11.5626 11.5626 11.8724 11.8724 12.3603 12.3603 13.2714 13.2714 k = 0.1923 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6302 -15.6302 -15.6300 -15.6300 -10.5134 -10.5134 -10.5100 -10.5100 -10.4718 -10.4718 -10.4469 -10.4469 -8.0479 -8.0479 -8.0015 -8.0015 -7.9510 -7.9510 -7.9387 -7.9387 -7.8824 -7.8824 -7.8817 -7.8817 -7.0237 -7.0237 -6.9821 -6.9821 -0.6944 -0.6944 -0.6933 -0.6933 1.8749 1.8749 1.9902 1.9902 2.8835 2.8835 2.9259 2.9259 3.2542 3.2542 3.3423 3.3423 4.4657 4.4657 4.4944 4.4944 5.0211 5.0211 5.0798 5.0798 5.4657 5.4657 5.4736 5.4736 9.9319 9.9319 10.3955 10.3955 11.5978 11.5978 11.8695 11.8695 12.3868 12.3868 13.2926 13.2926 k = 0.2051 0.5000-0.0000 ( 4862 PWs) bands (ev): -15.6298 -15.6298 -15.6295 -15.6295 -10.5132 -10.5132 -10.5098 -10.5098 -10.4718 -10.4718 -10.4464 -10.4464 -8.0522 -8.0522 -8.0062 -8.0062 -7.9488 -7.9488 -7.9373 -7.9373 -7.8816 -7.8816 -7.8799 -7.8799 -7.0149 -7.0149 -6.9726 -6.9726 -0.6890 -0.6890 -0.6879 -0.6879 1.8573 1.8573 1.9749 1.9749 2.8780 2.8780 2.9174 2.9174 3.2801 3.2801 3.3643 3.3643 4.4200 4.4200 4.4433 4.4433 5.0202 5.0202 5.0791 5.0791 5.4316 5.4316 5.4417 5.4417 9.9519 9.9519 10.4399 10.4399 11.6359 11.6359 11.8678 11.8678 12.4141 12.4141 13.3085 13.3085 k = 0.2179 0.5000-0.0000 ( 4854 PWs) bands (ev): -15.6293 -15.6293 -15.6291 -15.6291 -10.5129 -10.5129 -10.5096 -10.5096 -10.4717 -10.4717 -10.4460 -10.4460 -8.0564 -8.0564 -8.0110 -8.0110 -7.9465 -7.9465 -7.9359 -7.9359 -7.8816 -7.8816 -7.8776 -7.8776 -7.0058 -7.0058 -6.9630 -6.9630 -0.6838 -0.6838 -0.6826 -0.6826 1.8420 1.8420 1.9616 1.9616 2.8708 2.8708 2.9070 2.9070 3.3064 3.3064 3.3866 3.3866 4.3725 4.3725 4.3903 4.3903 5.0168 5.0168 5.0754 5.0754 5.4011 5.4011 5.4132 5.4132 9.9722 9.9722 10.4813 10.4813 11.6762 11.6762 11.8679 11.8679 12.4413 12.4413 13.3193 13.3193 k = 0.2308 0.5000-0.0000 ( 4864 PWs) bands (ev): -15.6289 -15.6289 -15.6286 -15.6286 -10.5127 -10.5127 -10.5096 -10.5096 -10.4714 -10.4714 -10.4457 -10.4457 -8.0604 -8.0604 -8.0160 -8.0160 -7.9441 -7.9441 -7.9344 -7.9344 -7.8816 -7.8816 -7.8754 -7.8754 -6.9965 -6.9965 -6.9535 -6.9535 -0.6787 -0.6787 -0.6776 -0.6776 1.8294 1.8294 1.9503 1.9503 2.8621 2.8621 2.8952 2.8952 3.3326 3.3326 3.4086 3.4086 4.3234 4.3234 4.3354 4.3354 5.0103 5.0103 5.0681 5.0681 5.3753 5.3753 5.3891 5.3891 9.9928 9.9928 10.5191 10.5191 11.7181 11.7181 11.8703 11.8703 12.4680 12.4680 13.3250 13.3250 k = 0.2436 0.5000-0.0000 ( 4868 PWs) bands (ev): -15.6284 -15.6284 -15.6281 -15.6281 -10.5124 -10.5124 -10.5096 -10.5096 -10.4710 -10.4710 -10.4454 -10.4454 -8.0642 -8.0642 -8.0210 -8.0210 -7.9416 -7.9416 -7.9329 -7.9329 -7.8817 -7.8817 -7.8734 -7.8734 -6.9870 -6.9870 -6.9441 -6.9441 -0.6739 -0.6739 -0.6727 -0.6727 1.8193 1.8193 1.9413 1.9413 2.8523 2.8523 2.8826 2.8826 3.3580 3.3580 3.4302 3.4302 4.2726 4.2726 4.2787 4.2787 5.0006 5.0006 5.0565 5.0565 5.3552 5.3552 5.3698 5.3698 10.0135 10.0135 10.5529 10.5529 11.7608 11.7608 11.8753 11.8753 12.4940 12.4940 13.3259 13.3259 k = 0.2564 0.5000-0.0000 ( 4864 PWs) bands (ev): -15.6279 -15.6279 -15.6277 -15.6277 -10.5122 -10.5122 -10.5096 -10.5096 -10.4704 -10.4704 -10.4451 -10.4451 -8.0678 -8.0678 -8.0259 -8.0259 -7.9390 -7.9390 -7.9314 -7.9314 -7.8818 -7.8818 -7.8714 -7.8714 -6.9774 -6.9774 -6.9348 -6.9348 -0.6693 -0.6693 -0.6682 -0.6682 1.8118 1.8118 1.9345 1.9345 2.8419 2.8419 2.8696 2.8696 3.3824 3.3824 3.4511 3.4511 4.2201 4.2201 4.2205 4.2205 4.9879 4.9879 5.0408 5.0408 5.3411 5.3411 5.3557 5.3557 10.0344 10.0344 10.5822 10.5822 11.8037 11.8037 11.8830 11.8830 12.5191 12.5191 13.3223 13.3223 k = 0.2692 0.5000-0.0000 ( 4858 PWs) bands (ev): -15.6275 -15.6275 -15.6272 -15.6272 -10.5120 -10.5120 -10.5097 -10.5097 -10.4697 -10.4697 -10.4449 -10.4449 -8.0711 -8.0711 -8.0308 -8.0308 -7.9364 -7.9364 -7.9299 -7.9299 -7.8819 -7.8819 -7.8697 -7.8697 -6.9676 -6.9676 -6.9258 -6.9258 -0.6650 -0.6650 -0.6640 -0.6640 1.8071 1.8071 1.9299 1.9299 2.8310 2.8310 2.8565 2.8565 3.4054 3.4054 3.4709 3.4709 4.1610 4.1610 4.1662 4.1662 4.9726 4.9726 5.0215 5.0215 5.3327 5.3327 5.3463 5.3463 10.0554 10.0554 10.6067 10.6067 11.8461 11.8461 11.8933 11.8933 12.5433 12.5433 13.3148 13.3148 k = 0.2821 0.5000-0.0000 ( 4862 PWs) bands (ev): -15.6270 -15.6270 -15.6267 -15.6267 -10.5119 -10.5119 -10.5098 -10.5098 -10.4690 -10.4690 -10.4448 -10.4448 -8.0742 -8.0742 -8.0357 -8.0357 -7.9338 -7.9338 -7.9284 -7.9284 -7.8820 -7.8820 -7.8681 -7.8681 -6.9579 -6.9579 -6.9169 -6.9169 -0.6611 -0.6611 -0.6601 -0.6601 1.8049 1.8049 1.9274 1.9274 2.8202 2.8202 2.8438 2.8438 3.4265 3.4265 3.4895 3.4895 4.1006 4.1006 4.1110 4.1110 4.9553 4.9553 4.9997 4.9997 5.3290 5.3290 5.3413 5.3413 10.0765 10.0765 10.6264 10.6264 11.8874 11.8874 11.9060 11.9060 12.5668 12.5668 13.3038 13.3038 k = 0.2949 0.5000-0.0000 ( 4874 PWs) bands (ev): -15.6265 -15.6265 -15.6263 -15.6263 -10.5117 -10.5117 -10.5100 -10.5100 -10.4681 -10.4681 -10.4447 -10.4447 -8.0771 -8.0771 -8.0404 -8.0404 -7.9311 -7.9311 -7.9270 -7.9270 -7.8821 -7.8821 -7.8667 -7.8667 -6.9483 -6.9483 -6.9084 -6.9084 -0.6576 -0.6576 -0.6566 -0.6566 1.8054 1.8054 1.9269 1.9269 2.8096 2.8096 2.8318 2.8318 3.4453 3.4453 3.5064 3.5064 4.0398 4.0398 4.0547 4.0547 4.9369 4.9369 4.9766 4.9766 5.3291 5.3291 5.3397 5.3397 10.0978 10.0978 10.6412 10.6412 11.9209 11.9209 11.9271 11.9271 12.5896 12.5896 13.2898 13.2898 k = 0.3077 0.5000-0.0000 ( 4870 PWs) bands (ev): -15.6261 -15.6261 -15.6258 -15.6258 -10.5116 -10.5116 -10.5102 -10.5102 -10.4671 -10.4671 -10.4447 -10.4447 -8.0798 -8.0798 -8.0450 -8.0450 -7.9285 -7.9285 -7.9255 -7.9255 -7.8822 -7.8822 -7.8655 -7.8655 -6.9388 -6.9388 -6.9003 -6.9003 -0.6544 -0.6544 -0.6535 -0.6535 1.8083 1.8083 1.9284 1.9284 2.7997 2.7997 2.8210 2.8210 3.4613 3.4613 3.5213 3.5213 3.9795 3.9795 3.9980 3.9980 4.9181 4.9181 4.9531 4.9531 5.3319 5.3319 5.3410 5.3410 10.1191 10.1191 10.6512 10.6512 11.9375 11.9375 11.9648 11.9648 12.6119 12.6119 13.2733 13.2733 k = 0.3205 0.5000-0.0000 ( 4864 PWs) bands (ev): -15.6256 -15.6256 -15.6254 -15.6254 -10.5115 -10.5115 -10.5105 -10.5105 -10.4660 -10.4660 -10.4447 -10.4447 -8.0822 -8.0822 -8.0495 -8.0495 -7.9260 -7.9260 -7.9241 -7.9241 -7.8822 -7.8822 -7.8645 -7.8645 -6.9295 -6.9295 -6.8925 -6.8925 -0.6516 -0.6516 -0.6508 -0.6508 1.8136 1.8136 1.9315 1.9315 2.7908 2.7908 2.8116 2.8116 3.4734 3.4734 3.5336 3.5336 3.9207 3.9207 3.9414 3.9414 4.8996 4.8996 4.9301 4.9301 5.3368 5.3368 5.3444 5.3444 10.1406 10.1406 10.6567 10.6567 11.9554 11.9554 11.9998 11.9998 12.6338 12.6338 13.2548 13.2548 k = 0.3333 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6252 -15.6252 -15.6250 -15.6250 -10.5115 -10.5115 -10.5107 -10.5107 -10.4649 -10.4649 -10.4447 -10.4447 -8.0844 -8.0844 -8.0538 -8.0538 -7.9236 -7.9236 -7.9228 -7.9228 -7.8821 -7.8821 -7.8637 -7.8637 -6.9204 -6.9204 -6.8852 -6.8852 -0.6492 -0.6492 -0.6485 -0.6485 1.8211 1.8211 1.9361 1.9361 2.7832 2.7832 2.8042 2.8042 3.4804 3.4804 3.5423 3.5423 3.8650 3.8650 3.8863 3.8863 4.8817 4.8817 4.9082 4.9082 5.3429 5.3429 5.3494 5.3494 10.1621 10.1621 10.6579 10.6579 11.9743 11.9743 12.0320 12.0320 12.6555 12.6555 13.2349 13.2349 k = 0.3462 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6248 -15.6248 -15.6246 -15.6246 -10.5114 -10.5114 -10.5109 -10.5109 -10.4638 -10.4638 -10.4449 -10.4449 -8.0863 -8.0863 -8.0579 -8.0579 -7.9214 -7.9214 -7.9213 -7.9213 -7.8819 -7.8819 -7.8630 -7.8630 -6.9116 -6.9116 -6.8784 -6.8784 -0.6471 -0.6471 -0.6466 -0.6466 1.8305 1.8305 1.9418 1.9418 2.7774 2.7774 2.7990 2.7990 3.4803 3.4803 3.5457 3.5457 3.8149 3.8149 3.8344 3.8344 4.8648 4.8648 4.8876 4.8876 5.3500 5.3500 5.3553 5.3553 10.1838 10.1838 10.6552 10.6552 11.9936 11.9936 12.0611 12.0611 12.6771 12.6771 13.2138 13.2138 k = 0.3590 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6244 -15.6244 -15.6242 -15.6242 -10.5114 -10.5114 -10.5111 -10.5111 -10.4626 -10.4626 -10.4450 -10.4450 -8.0880 -8.0880 -8.0619 -8.0619 -7.9202 -7.9202 -7.9191 -7.9191 -7.8816 -7.8816 -7.8626 -7.8626 -6.9032 -6.9032 -6.8721 -6.8721 -0.6454 -0.6454 -0.6449 -0.6449 1.8416 1.8416 1.9483 1.9483 2.7737 2.7737 2.7965 2.7965 3.4706 3.4706 3.5411 3.5411 3.7731 3.7731 3.7888 3.7888 4.8492 4.8492 4.8687 4.8687 5.3574 5.3574 5.3619 5.3619 10.2056 10.2056 10.6491 10.6491 12.0130 12.0130 12.0869 12.0869 12.6986 12.6986 13.1919 13.1919 k = 0.3718 0.5000-0.0000 ( 4862 PWs) bands (ev): -15.6241 -15.6241 -15.6239 -15.6239 -10.5114 -10.5114 -10.5113 -10.5113 -10.4615 -10.4615 -10.4453 -10.4453 -8.0895 -8.0895 -8.0656 -8.0656 -7.9190 -7.9190 -7.9172 -7.9172 -7.8812 -7.8812 -7.8624 -7.8624 -6.8952 -6.8952 -6.8664 -6.8664 -0.6440 -0.6440 -0.6436 -0.6436 1.8541 1.8541 1.9553 1.9553 2.7724 2.7724 2.7971 2.7971 3.4491 3.4491 3.5253 3.5253 3.7421 3.7421 3.7531 3.7531 4.8350 4.8350 4.8516 4.8516 5.3651 5.3651 5.3688 5.3688 10.2275 10.2275 10.6398 10.6398 12.0322 12.0322 12.1094 12.1094 12.7203 12.7203 13.1695 13.1695 k = 0.3846 0.5000-0.0000 ( 4862 PWs) bands (ev): -15.6238 -15.6238 -15.6236 -15.6236 -10.5115 -10.5115 -10.5114 -10.5114 -10.4603 -10.4603 -10.4455 -10.4455 -8.0906 -8.0906 -8.0691 -8.0691 -7.9178 -7.9178 -7.9154 -7.9154 -7.8806 -7.8806 -7.8623 -7.8623 -6.8876 -6.8876 -6.8613 -6.8613 -0.6429 -0.6429 -0.6426 -0.6426 1.8676 1.8676 1.9624 1.9624 2.7740 2.7740 2.8010 2.8010 3.4157 3.4157 3.4961 3.4961 3.7225 3.7225 3.7297 3.7297 4.8222 4.8222 4.8362 4.8362 5.3726 5.3726 5.3757 5.3757 10.2495 10.2495 10.6279 10.6279 12.0509 12.0509 12.1284 12.1284 12.7420 12.7420 13.1468 13.1468 k = 0.3974 0.5000-0.0000 ( 4862 PWs) bands (ev): -15.6234 -15.6234 -15.6233 -15.6233 -10.5117 -10.5117 -10.5115 -10.5115 -10.4591 -10.4591 -10.4459 -10.4459 -8.0916 -8.0916 -8.0724 -8.0724 -7.9167 -7.9167 -7.9140 -7.9140 -7.8798 -7.8798 -7.8624 -7.8624 -6.8806 -6.8806 -6.8568 -6.8568 -0.6421 -0.6421 -0.6418 -0.6418 1.8818 1.8818 1.9691 1.9691 2.7787 2.7787 2.8087 2.8087 3.3731 3.3731 3.4554 3.4554 3.7120 3.7120 3.7171 3.7171 4.8108 4.8108 4.8226 4.8226 5.3798 5.3798 5.3824 5.3824 10.2716 10.2716 10.6136 10.6136 12.0689 12.0689 12.1441 12.1441 12.7638 12.7638 13.1239 13.1239 k = 0.4103 0.5000-0.0000 ( 4856 PWs) bands (ev): -15.6232 -15.6232 -15.6230 -15.6230 -10.5118 -10.5118 -10.5115 -10.5115 -10.4579 -10.4579 -10.4463 -10.4463 -8.0923 -8.0923 -8.0755 -8.0755 -7.9157 -7.9157 -7.9127 -7.9127 -7.8788 -7.8788 -7.8628 -7.8628 -6.8740 -6.8740 -6.8530 -6.8530 -0.6414 -0.6414 -0.6412 -0.6412 1.8963 1.8963 1.9752 1.9752 2.7868 2.7868 2.8204 2.8204 3.3248 3.3248 3.4071 3.4071 3.7076 3.7076 3.7118 3.7118 4.8010 4.8010 4.8107 4.8107 5.3866 5.3866 5.3887 5.3887 10.2939 10.2939 10.5974 10.5974 12.0859 12.0859 12.1566 12.1566 12.7857 12.7857 13.1010 13.1010 k = 0.4231 0.5000-0.0000 ( 4864 PWs) bands (ev): -15.6229 -15.6229 -15.6228 -15.6228 -10.5119 -10.5119 -10.5116 -10.5116 -10.4568 -10.4568 -10.4468 -10.4468 -8.0927 -8.0927 -8.0783 -8.0783 -7.9148 -7.9148 -7.9118 -7.9118 -7.8777 -7.8777 -7.8633 -7.8633 -6.8681 -6.8681 -6.8498 -6.8498 -0.6410 -0.6410 -0.6408 -0.6408 1.9107 1.9107 1.9802 1.9802 2.7987 2.7987 2.8361 2.8361 3.2738 3.2738 3.3550 3.3550 3.7068 3.7068 3.7105 3.7105 4.7926 4.7926 4.8005 4.8005 5.3927 5.3927 5.3945 5.3945 10.3164 10.3164 10.5795 10.5795 12.1019 12.1019 12.1660 12.1660 12.8078 12.8078 13.0781 13.0781 k = 0.4359 0.5000-0.0000 ( 4870 PWs) bands (ev): -15.6227 -15.6227 -15.6226 -15.6226 -10.5120 -10.5120 -10.5117 -10.5117 -10.4557 -10.4557 -10.4473 -10.4473 -8.0929 -8.0929 -8.0809 -8.0809 -7.9139 -7.9139 -7.9111 -7.9111 -7.8765 -7.8765 -7.8640 -7.8640 -6.8627 -6.8627 -6.8474 -6.8474 -0.6407 -0.6407 -0.6406 -0.6406 1.9246 1.9246 1.9839 1.9839 2.8144 2.8144 2.8557 2.8557 3.2225 3.2225 3.3017 3.3017 3.7079 3.7079 3.7111 3.7111 4.7856 4.7856 4.7919 4.7919 5.3981 5.3981 5.3995 5.3995 10.3389 10.3389 10.5603 10.5603 12.1166 12.1166 12.1725 12.1725 12.8300 12.8300 13.0553 13.0553 k = 0.4487 0.5000-0.0000 ( 4860 PWs) bands (ev): -15.6225 -15.6225 -15.6225 -15.6225 -10.5120 -10.5120 -10.5118 -10.5118 -10.4546 -10.4546 -10.4479 -10.4479 -8.0928 -8.0928 -8.0832 -8.0832 -7.9131 -7.9131 -7.9107 -7.9107 -7.8752 -7.8752 -7.8648 -7.8648 -6.8580 -6.8580 -6.8457 -6.8457 -0.6404 -0.6404 -0.6404 -0.6404 1.9377 1.9377 1.9860 1.9860 2.8340 2.8340 2.8787 2.8787 3.1728 3.1728 3.2487 3.2487 3.7097 3.7097 3.7124 3.7124 4.7800 4.7800 4.7849 4.7849 5.4027 5.4027 5.4038 5.4038 10.3616 10.3616 10.5400 10.5400 12.1300 12.1300 12.1763 12.1763 12.8522 12.8522 13.0325 13.0325 k = 0.4615 0.5000-0.0000 ( 4868 PWs) bands (ev): -15.6224 -15.6224 -15.6223 -15.6223 -10.5121 -10.5121 -10.5119 -10.5119 -10.4536 -10.4536 -10.4485 -10.4485 -8.0925 -8.0925 -8.0853 -8.0853 -7.9124 -7.9124 -7.9104 -7.9104 -7.8738 -7.8738 -7.8658 -7.8658 -6.8540 -6.8540 -6.8447 -6.8447 -0.6403 -0.6403 -0.6403 -0.6403 1.9496 1.9496 1.9864 1.9864 2.8573 2.8573 2.9041 2.9041 3.1269 3.1269 3.1976 3.1976 3.7117 3.7117 3.7138 3.7138 4.7759 4.7759 4.7794 4.7794 5.4064 5.4064 5.4072 5.4072 10.3843 10.3843 10.5189 10.5189 12.1419 12.1419 12.1776 12.1776 12.8746 12.8746 13.0098 13.0098 k = 0.4744 0.5000-0.0000 ( 4868 PWs) bands (ev): -15.6223 -15.6223 -15.6223 -15.6223 -10.5121 -10.5121 -10.5119 -10.5119 -10.4526 -10.4526 -10.4492 -10.4492 -8.0919 -8.0919 -8.0871 -8.0871 -7.9118 -7.9118 -7.9104 -7.9104 -7.8723 -7.8723 -7.8669 -7.8669 -6.8506 -6.8506 -6.8444 -6.8444 -0.6402 -0.6402 -0.6402 -0.6402 1.9602 1.9602 1.9849 1.9849 2.8836 2.8836 2.9285 2.9285 3.0887 3.0887 3.1497 3.1497 3.7134 3.7134 3.7149 3.7149 4.7731 4.7731 4.7754 4.7754 5.4091 5.4091 5.4096 5.4096 10.4071 10.4071 10.4972 10.4972 12.1523 12.1523 12.1766 12.1766 12.8970 12.8970 12.9871 12.9871 k = 0.4872 0.5000-0.0000 ( 4888 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5121 -10.5121 -10.5120 -10.5120 -10.4517 -10.4517 -10.4500 -10.4500 -8.0911 -8.0911 -8.0887 -8.0887 -7.9113 -7.9113 -7.9106 -7.9106 -7.8709 -7.8709 -7.8682 -7.8682 -6.8480 -6.8480 -6.8449 -6.8449 -0.6402 -0.6402 -0.6402 -0.6402 1.9691 1.9691 1.9816 1.9816 2.9112 2.9112 2.9427 2.9427 3.0676 3.0676 3.1074 3.1074 3.7147 3.7147 3.7155 3.7155 4.7716 4.7716 4.7727 4.7727 5.4108 5.4108 5.4110 5.4110 10.4298 10.4298 10.4750 10.4750 12.1611 12.1611 12.1734 12.1734 12.9194 12.9194 12.9645 12.9645 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5121 -10.5121 -10.5121 -10.5121 -10.4508 -10.4508 -10.4508 -10.4508 -8.0901 -8.0901 -8.0901 -8.0901 -7.9108 -7.9108 -7.9108 -7.9108 -7.8695 -7.8695 -7.8695 -7.8695 -6.8461 -6.8461 -6.8461 -6.8461 -0.6402 -0.6402 -0.6402 -0.6402 1.9763 1.9763 1.9763 1.9763 2.9349 2.9349 2.9349 2.9349 3.0760 3.0760 3.0760 3.0760 3.7154 3.7154 3.7154 3.7154 4.7715 4.7715 4.7715 4.7715 5.4114 5.4114 5.4114 5.4114 10.4525 10.4525 10.4525 10.4525 12.1682 12.1682 12.1682 12.1682 12.9420 12.9420 12.9420 12.9420 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5121 -10.5121 -10.5121 -10.5121 -10.4508 -10.4508 -10.4508 -10.4508 -8.0901 -8.0901 -8.0901 -8.0901 -7.9108 -7.9108 -7.9108 -7.9108 -7.8695 -7.8695 -7.8695 -7.8695 -6.8461 -6.8461 -6.8461 -6.8461 -0.6402 -0.6402 -0.6402 -0.6402 1.9763 1.9763 1.9763 1.9763 2.9349 2.9349 2.9349 2.9349 3.0760 3.0760 3.0760 3.0760 3.7154 3.7154 3.7154 3.7154 4.7715 4.7715 4.7715 4.7715 5.4114 5.4114 5.4114 5.4114 10.4525 10.4525 10.4525 10.4525 12.1682 12.1682 12.1682 12.1682 12.9420 12.9420 12.9420 12.9420 k = 0.4909 0.4909-0.0000 ( 4890 PWs) bands (ev): -15.6224 -15.6224 -15.6221 -15.6221 -10.5121 -10.5121 -10.5120 -10.5120 -10.4517 -10.4517 -10.4500 -10.4500 -8.0911 -8.0911 -8.0887 -8.0887 -7.9113 -7.9113 -7.9106 -7.9106 -7.8709 -7.8709 -7.8681 -7.8681 -6.8480 -6.8480 -6.8448 -6.8448 -0.6409 -0.6409 -0.6395 -0.6395 1.9688 1.9688 1.9818 1.9818 2.9074 2.9074 2.9484 2.9484 3.0629 3.0629 3.1103 3.1103 3.7147 3.7147 3.7155 3.7155 4.7713 4.7713 4.7730 4.7730 5.4100 5.4100 5.4118 5.4118 10.4298 10.4298 10.4751 10.4751 12.1611 12.1611 12.1734 12.1734 12.9195 12.9195 12.9645 12.9645 k = 0.4818 0.4818-0.0000 ( 4870 PWs) bands (ev): -15.6230 -15.6230 -15.6216 -15.6216 -10.5121 -10.5121 -10.5119 -10.5119 -10.4526 -10.4526 -10.4492 -10.4492 -8.0919 -8.0919 -8.0871 -8.0871 -7.9118 -7.9118 -7.9104 -7.9104 -7.8723 -7.8723 -7.8669 -7.8669 -6.8508 -6.8508 -6.8443 -6.8443 -0.6429 -0.6429 -0.6375 -0.6375 1.9585 1.9585 1.9868 1.9868 2.8662 2.8662 2.9615 2.9615 3.0598 3.0598 3.1630 3.1630 3.7132 3.7132 3.7151 3.7151 4.7716 4.7716 4.7769 4.7769 5.4057 5.4057 5.4129 5.4129 10.4069 10.4069 10.4974 10.4974 12.1523 12.1523 12.1766 12.1766 12.8977 12.8977 12.9864 12.9864 k = 0.4727 0.4727-0.0000 ( 4870 PWs) bands (ev): -15.6240 -15.6240 -15.6208 -15.6208 -10.5121 -10.5121 -10.5118 -10.5118 -10.4536 -10.4536 -10.4485 -10.4485 -8.0925 -8.0925 -8.0853 -8.0853 -7.9124 -7.9124 -7.9104 -7.9104 -7.8739 -7.8739 -7.8657 -7.8657 -6.8544 -6.8544 -6.8443 -6.8443 -0.6464 -0.6464 -0.6341 -0.6341 1.9447 1.9447 1.9923 1.9923 2.8207 2.8207 2.9789 2.9789 3.0602 3.0602 3.2257 3.2257 3.7108 3.7108 3.7143 3.7143 4.7720 4.7720 4.7833 4.7833 5.3987 5.3987 5.4148 5.4148 10.3838 10.3838 10.5194 10.5194 12.1416 12.1416 12.1776 12.1776 12.8773 12.8773 13.0072 13.0072 k = 0.4636 0.4636-0.0000 ( 4870 PWs) bands (ev): -15.6254 -15.6254 -15.6196 -15.6196 -10.5121 -10.5121 -10.5117 -10.5117 -10.4547 -10.4547 -10.4478 -10.4478 -8.0928 -8.0928 -8.0833 -8.0833 -7.9132 -7.9132 -7.9106 -7.9106 -7.8754 -7.8754 -7.8646 -7.8646 -6.8590 -6.8590 -6.8448 -6.8448 -0.6512 -0.6512 -0.6293 -0.6293 1.9277 1.9277 1.9988 1.9988 2.7756 2.7756 2.9990 2.9990 3.0640 3.0640 3.2943 3.2943 3.7077 3.7077 3.7132 3.7132 4.7726 4.7726 4.7924 4.7924 5.3890 5.3890 5.4174 5.4174 10.3607 10.3607 10.5410 10.5410 12.1292 12.1292 12.1765 12.1765 12.8589 12.8589 13.0263 13.0263 k = 0.4545 0.4545-0.0000 ( 4866 PWs) bands (ev): -15.6271 -15.6271 -15.6182 -15.6182 -10.5121 -10.5121 -10.5116 -10.5116 -10.4558 -10.4558 -10.4472 -10.4472 -8.0927 -8.0927 -8.0811 -8.0811 -7.9140 -7.9140 -7.9109 -7.9109 -7.8770 -7.8770 -7.8636 -7.8636 -6.8646 -6.8646 -6.8457 -6.8457 -0.6573 -0.6573 -0.6233 -0.6233 1.9084 1.9084 2.0066 2.0066 2.7326 2.7326 3.0166 3.0166 3.0749 3.0749 3.3670 3.3670 3.7041 3.7041 3.7118 3.7118 4.7734 4.7734 4.8041 4.8041 5.3766 5.3766 5.4209 5.4209 10.3374 10.3374 10.5619 10.5619 12.1147 12.1147 12.1732 12.1732 12.8428 12.8428 13.0434 13.0434 k = 0.4455 0.4455-0.0000 ( 4870 PWs) bands (ev): -15.6293 -15.6293 -15.6165 -15.6165 -10.5121 -10.5121 -10.5114 -10.5114 -10.4569 -10.4569 -10.4467 -10.4467 -8.0925 -8.0925 -8.0786 -8.0786 -7.9150 -7.9150 -7.9114 -7.9114 -7.8785 -7.8785 -7.8627 -7.8627 -6.8712 -6.8712 -6.8470 -6.8470 -0.6646 -0.6646 -0.6158 -0.6158 1.8874 1.8874 2.0159 2.0159 2.6926 2.6926 3.0260 3.0260 3.0971 3.0971 3.4430 3.4430 3.7000 3.7000 3.7100 3.7100 4.7743 4.7743 4.8186 4.8186 5.3619 5.3619 5.4251 5.4251 10.3141 10.3141 10.5822 10.5822 12.0979 12.0979 12.1681 12.1681 12.8292 12.8292 13.0580 13.0580 k = 0.4364 0.4364-0.0000 ( 4860 PWs) bands (ev): -15.6318 -15.6318 -15.6144 -15.6144 -10.5121 -10.5121 -10.5112 -10.5112 -10.4581 -10.4581 -10.4462 -10.4462 -8.0919 -8.0919 -8.0760 -8.0760 -7.9160 -7.9160 -7.9121 -7.9121 -7.8801 -7.8801 -7.8619 -7.8619 -6.8788 -6.8788 -6.8487 -6.8487 -0.6731 -0.6731 -0.6069 -0.6069 1.8657 1.8657 2.0266 2.0266 2.6559 2.6559 3.0281 3.0281 3.1282 3.1282 3.5217 3.5217 3.6958 3.6958 3.7080 3.7080 4.7754 4.7754 4.8357 4.8357 5.3448 5.3448 5.4302 5.4302 10.2906 10.2906 10.6014 10.6014 12.0786 12.0786 12.1618 12.1618 12.8182 12.8182 13.0699 13.0699 k = 0.4273 0.4273-0.0000 ( 4856 PWs) bands (ev): -15.6347 -15.6347 -15.6121 -15.6121 -10.5121 -10.5121 -10.5110 -10.5110 -10.4594 -10.4594 -10.4457 -10.4457 -8.0910 -8.0910 -8.0732 -8.0732 -7.9171 -7.9171 -7.9130 -7.9130 -7.8817 -7.8817 -7.8612 -7.8612 -6.8875 -6.8875 -6.8507 -6.8507 -0.6827 -0.6827 -0.5966 -0.5966 1.8440 1.8440 2.0388 2.0388 2.6227 2.6227 3.0263 3.0263 3.1636 3.1636 3.6026 3.6026 3.6918 3.6918 3.7057 3.7057 4.7767 4.7767 4.8555 4.8555 5.3257 5.3257 5.4362 5.4362 10.2671 10.2671 10.6194 10.6194 12.0568 12.0568 12.1546 12.1546 12.8092 12.8092 13.0788 13.0788 k = 0.4182 0.4182-0.0000 ( 4834 PWs) bands (ev): -15.6379 -15.6379 -15.6094 -15.6094 -10.5120 -10.5120 -10.5108 -10.5108 -10.4607 -10.4607 -10.4453 -10.4453 -8.0898 -8.0898 -8.0703 -8.0703 -7.9183 -7.9183 -7.9141 -7.9141 -7.8832 -7.8832 -7.8606 -7.8606 -6.8971 -6.8971 -6.8530 -6.8530 -0.6933 -0.6933 -0.5849 -0.5849 1.8230 1.8230 2.0526 2.0526 2.5932 2.5932 3.0219 3.0219 3.2006 3.2006 3.6826 3.6826 3.6909 3.6909 3.7033 3.7033 4.7781 4.7781 4.8778 4.8778 5.3048 5.3048 5.4431 5.4431 10.2435 10.2435 10.6359 10.6359 12.0329 12.0329 12.1471 12.1471 12.8016 12.8016 13.0844 13.0844 k = 0.4091 0.4091-0.0000 ( 4846 PWs) bands (ev): -15.6415 -15.6415 -15.6065 -15.6065 -10.5121 -10.5121 -10.5106 -10.5106 -10.4621 -10.4621 -10.4450 -10.4450 -8.0884 -8.0884 -8.0672 -8.0672 -7.9196 -7.9196 -7.9155 -7.9155 -7.8847 -7.8847 -7.8601 -7.8601 -6.9077 -6.9077 -6.8557 -6.8557 -0.7048 -0.7048 -0.5718 -0.5718 1.8030 1.8030 2.0677 2.0677 2.5674 2.5674 3.0153 3.0153 3.2378 3.2378 3.6846 3.6846 3.7002 3.7002 3.7704 3.7704 4.7796 4.7796 4.9026 4.9026 5.2824 5.2824 5.4511 5.4511 10.2200 10.2200 10.6504 10.6504 12.0071 12.0071 12.1399 12.1399 12.7946 12.7946 13.0868 13.0868 k = 0.4000 0.4000-0.0000 ( 4838 PWs) bands (ev): -15.6454 -15.6454 -15.6033 -15.6033 -10.5120 -10.5120 -10.5104 -10.5104 -10.4635 -10.4635 -10.4446 -10.4446 -8.0866 -8.0866 -8.0641 -8.0641 -7.9210 -7.9210 -7.9169 -7.9169 -7.8861 -7.8861 -7.8597 -7.8597 -6.9192 -6.9192 -6.8585 -6.8585 -0.7171 -0.7171 -0.5573 -0.5573 1.7847 1.7847 2.0843 2.0843 2.5454 2.5454 3.0067 3.0067 3.2741 3.2741 3.6826 3.6826 3.6972 3.6972 3.8556 3.8556 4.7813 4.7813 4.9296 4.9296 5.2589 5.2589 5.4601 5.4601 10.1965 10.1965 10.6626 10.6626 11.9805 11.9805 12.1331 12.1331 12.7872 12.7872 13.0857 13.0857 k = 0.3909 0.3909-0.0000 ( 4850 PWs) bands (ev): -15.6496 -15.6496 -15.5999 -15.5999 -10.5120 -10.5120 -10.5101 -10.5101 -10.4649 -10.4649 -10.4444 -10.4444 -8.0846 -8.0846 -8.0609 -8.0609 -7.9225 -7.9225 -7.9186 -7.9186 -7.8876 -7.8876 -7.8594 -7.8594 -6.9317 -6.9317 -6.8616 -6.8616 -0.7300 -0.7300 -0.5413 -0.5413 1.7683 1.7683 2.1023 2.1023 2.5271 2.5271 2.9959 2.9959 3.3088 3.3088 3.6818 3.6818 3.6941 3.6941 3.9413 3.9413 4.7832 4.7832 4.9583 4.9583 5.2347 5.2347 5.4702 5.4702 10.1733 10.1733 10.6720 10.6720 11.9537 11.9537 12.1270 12.1270 12.7783 12.7783 13.0812 13.0812 k = 0.3818 0.3818-0.0000 ( 4842 PWs) bands (ev): -15.6541 -15.6541 -15.5962 -15.5962 -10.5120 -10.5120 -10.5099 -10.5099 -10.4664 -10.4664 -10.4442 -10.4442 -8.0823 -8.0823 -8.0575 -8.0575 -7.9240 -7.9240 -7.9204 -7.9204 -7.8890 -7.8890 -7.8592 -7.8592 -6.9450 -6.9450 -6.8650 -6.8650 -0.7435 -0.7435 -0.5238 -0.5238 1.7540 1.7540 2.1217 2.1217 2.5125 2.5125 2.9829 2.9829 3.3415 3.3415 3.6819 3.6819 3.6913 3.6913 4.0267 4.0267 4.7852 4.7852 4.9884 4.9884 5.2105 5.2105 5.4816 5.4816 10.1505 10.1505 10.6782 10.6782 11.9279 11.9279 12.1220 12.1220 12.7669 12.7669 13.0734 13.0734 k = 0.3727 0.3727-0.0000 ( 4858 PWs) bands (ev): -15.6589 -15.6589 -15.5922 -15.5922 -10.5121 -10.5121 -10.5097 -10.5097 -10.4679 -10.4679 -10.4440 -10.4440 -8.0798 -8.0798 -8.0542 -8.0542 -7.9258 -7.9258 -7.9223 -7.9223 -7.8904 -7.8904 -7.8591 -7.8591 -6.9592 -6.9592 -6.8685 -6.8685 -0.7573 -0.7573 -0.5048 -0.5048 1.7419 1.7419 2.1423 2.1423 2.5016 2.5016 2.9677 2.9677 3.3717 3.3717 3.6819 3.6819 3.6902 3.6902 4.1109 4.1109 4.7872 4.7872 5.0191 5.0191 5.1870 5.1870 5.4943 5.4943 10.1282 10.1282 10.6809 10.6809 11.9039 11.9039 12.1182 12.1182 12.7521 12.7521 13.0626 13.0626 k = 0.3636 0.3636-0.0000 ( 4858 PWs) bands (ev): -15.6640 -15.6640 -15.5880 -15.5880 -10.5121 -10.5121 -10.5094 -10.5094 -10.4694 -10.4694 -10.4438 -10.4438 -8.0770 -8.0770 -8.0508 -8.0508 -7.9277 -7.9277 -7.9241 -7.9241 -7.8918 -7.8918 -7.8590 -7.8590 -6.9741 -6.9741 -6.8722 -6.8722 -0.7713 -0.7713 -0.4843 -0.4843 1.7322 1.7322 2.1643 2.1643 2.4944 2.4944 2.9501 2.9501 3.3993 3.3993 3.6797 3.6797 3.6930 3.6930 4.1929 4.1929 4.7895 4.7895 5.0496 5.0496 5.1655 5.1655 5.5084 5.5084 10.1066 10.1066 10.6795 10.6795 11.8825 11.8825 12.1158 12.1158 12.7330 12.7330 13.0491 13.0491 k = 0.3545 0.3545-0.0000 ( 4858 PWs) bands (ev): -15.6693 -15.6693 -15.5836 -15.5836 -10.5121 -10.5121 -10.5092 -10.5092 -10.4710 -10.4710 -10.4437 -10.4437 -8.0739 -8.0739 -8.0474 -8.0474 -7.9299 -7.9299 -7.9259 -7.9259 -7.8931 -7.8931 -7.8590 -7.8590 -6.9898 -6.9898 -6.8761 -6.8761 -0.7853 -0.7853 -0.4623 -0.4623 1.7248 1.7248 2.1874 2.1874 2.4908 2.4908 2.9302 2.9302 3.4242 3.4242 3.6761 3.6761 3.6992 3.6992 4.2712 4.2712 4.7918 4.7918 5.0779 5.0779 5.1484 5.1484 5.5238 5.5238 10.0861 10.0861 10.6739 10.6739 11.8646 11.8646 12.1151 12.1151 12.7090 12.7090 13.0335 13.0335 k = 0.3455 0.3455-0.0000 ( 4860 PWs) bands (ev): -15.6749 -15.6749 -15.5790 -15.5790 -10.5121 -10.5121 -10.5091 -10.5091 -10.4726 -10.4726 -10.4436 -10.4436 -8.0707 -8.0707 -8.0441 -8.0441 -7.9323 -7.9323 -7.9277 -7.9277 -7.8945 -7.8945 -7.8590 -7.8590 -7.0062 -7.0062 -6.8801 -6.8801 -0.7993 -0.7993 -0.4388 -0.4388 1.7198 1.7198 2.2117 2.2117 2.4906 2.4906 2.9082 2.9082 3.4464 3.4464 3.6720 3.6720 3.7077 3.7077 4.3438 4.3438 4.7943 4.7943 5.0985 5.0985 5.1422 5.1422 5.5406 5.5406 10.0669 10.0669 10.6640 10.6640 11.8506 11.8506 12.1163 12.1163 12.6797 12.6797 13.0164 13.0164 k = 0.3364 0.3364-0.0000 ( 4856 PWs) bands (ev): -15.6807 -15.6807 -15.5742 -15.5742 -10.5122 -10.5122 -10.5089 -10.5089 -10.4741 -10.4741 -10.4436 -10.4436 -8.0672 -8.0672 -8.0408 -8.0408 -7.9348 -7.9348 -7.9293 -7.9293 -7.8959 -7.8959 -7.8591 -7.8591 -7.0233 -7.0233 -6.8843 -6.8843 -0.8130 -0.8130 -0.4137 -0.4137 1.7170 1.7170 2.2371 2.2371 2.4937 2.4937 2.8841 2.8841 3.4659 3.4659 3.6676 3.6676 3.7185 3.7185 4.4085 4.4085 4.7970 4.7970 5.1042 5.1042 5.1557 5.1557 5.5585 5.5585 10.0493 10.0493 10.6498 10.6498 11.8409 11.8409 12.1198 12.1198 12.6452 12.6452 12.9983 12.9983 k = 0.3273 0.3273-0.0000 ( 4854 PWs) bands (ev): -15.6866 -15.6866 -15.5692 -15.5692 -10.5122 -10.5122 -10.5088 -10.5088 -10.4757 -10.4757 -10.4436 -10.4436 -8.0635 -8.0635 -8.0375 -8.0375 -7.9375 -7.9375 -7.9310 -7.9310 -7.8974 -7.8974 -7.8593 -7.8593 -7.0409 -7.0409 -6.8886 -6.8886 -0.8263 -0.8263 -0.3871 -0.3871 1.7165 1.7165 2.2635 2.2635 2.5001 2.5001 2.8582 2.8582 3.4831 3.4831 3.6631 3.6631 3.7313 3.7313 4.4623 4.4623 4.7998 4.7998 5.1074 5.1074 5.1784 5.1784 5.5773 5.5773 10.0336 10.0336 10.6317 10.6317 11.8355 11.8355 12.1257 12.1257 12.6054 12.6054 12.9797 12.9797 k = 0.3182 0.3182-0.0000 ( 4846 PWs) bands (ev): -15.6928 -15.6928 -15.5641 -15.5641 -10.5123 -10.5123 -10.5087 -10.5087 -10.4773 -10.4773 -10.4436 -10.4436 -8.0597 -8.0597 -8.0344 -8.0344 -7.9403 -7.9403 -7.9326 -7.9326 -7.8988 -7.8988 -7.8594 -7.8594 -7.0590 -7.0590 -6.8929 -6.8929 -0.8390 -0.8390 -0.3589 -0.3589 1.7180 1.7180 2.2908 2.2908 2.5095 2.5095 2.8307 2.8307 3.4980 3.4980 3.6585 3.6585 3.7460 3.7460 4.5025 4.5025 4.8027 4.8027 5.1186 5.1186 5.2015 5.2015 5.5965 5.5965 10.0202 10.0202 10.6101 10.6101 11.8344 11.8344 12.1344 12.1344 12.5611 12.5611 12.9610 12.9610 k = 0.3091 0.3091-0.0000 ( 4842 PWs) bands (ev): -15.6991 -15.6991 -15.5588 -15.5588 -10.5123 -10.5123 -10.5086 -10.5086 -10.4789 -10.4789 -10.4436 -10.4436 -8.0557 -8.0557 -8.0313 -8.0313 -7.9432 -7.9432 -7.9341 -7.9341 -7.9003 -7.9003 -7.8597 -7.8597 -7.0777 -7.0777 -6.8974 -6.8974 -0.8510 -0.8510 -0.3292 -0.3292 1.7214 1.7214 2.3191 2.3191 2.5217 2.5217 2.8019 2.8019 3.5108 3.5108 3.6539 3.6539 3.7625 3.7625 4.5277 4.5277 4.8058 4.8058 5.1410 5.1410 5.2231 5.2231 5.6156 5.6156 10.0091 10.0091 10.5857 10.5857 11.8374 11.8374 12.1460 12.1460 12.5129 12.5129 12.9424 12.9424 k = 0.3000 0.3000-0.0000 ( 4848 PWs) bands (ev): -15.7055 -15.7055 -15.5534 -15.5534 -10.5124 -10.5124 -10.5086 -10.5086 -10.4804 -10.4804 -10.4436 -10.4436 -8.0515 -8.0515 -8.0284 -8.0284 -7.9461 -7.9461 -7.9357 -7.9357 -7.9018 -7.9018 -7.8599 -7.8599 -7.0967 -7.0967 -6.9018 -6.9018 -0.8622 -0.8622 -0.2980 -0.2980 1.7266 1.7266 2.3481 2.3481 2.5363 2.5363 2.7725 2.7725 3.5218 3.5218 3.6493 3.6493 3.7807 3.7807 4.5380 4.5380 4.8089 4.8089 5.1740 5.1740 5.2429 5.2429 5.6340 5.6340 10.0009 10.0009 10.5592 10.5592 11.8441 11.8441 12.1607 12.1607 12.4618 12.4618 12.9242 12.9242 k = 0.2909 0.2909-0.0000 ( 4860 PWs) bands (ev): -15.7121 -15.7121 -15.5479 -15.5479 -10.5125 -10.5125 -10.5087 -10.5087 -10.4820 -10.4820 -10.4437 -10.4437 -8.0473 -8.0473 -8.0257 -8.0257 -7.9490 -7.9490 -7.9372 -7.9372 -7.9033 -7.9033 -7.8602 -7.8602 -7.1161 -7.1161 -6.9063 -6.9063 -0.8724 -0.8724 -0.2653 -0.2653 1.7334 1.7334 2.3779 2.3779 2.5525 2.5525 2.7430 2.7430 3.5311 3.5311 3.6448 3.6448 3.8004 3.8004 4.5355 4.5355 4.8119 4.8119 5.2141 5.2141 5.2619 5.2619 5.6510 5.6510 9.9955 9.9955 10.5314 10.5314 11.8544 11.8544 12.1783 12.1783 12.4091 12.4091 12.9065 12.9065 k = 0.2818 0.2818-0.0000 ( 4862 PWs) bands (ev): -15.7187 -15.7187 -15.5422 -15.5422 -10.5126 -10.5126 -10.5088 -10.5088 -10.4835 -10.4835 -10.4438 -10.4438 -8.0431 -8.0431 -8.0231 -8.0231 -7.9519 -7.9519 -7.9387 -7.9387 -7.9048 -7.9048 -7.8605 -7.8605 -7.1357 -7.1357 -6.9108 -6.9108 -0.8816 -0.8816 -0.2310 -0.2310 1.7416 1.7416 2.4083 2.4083 2.5691 2.5691 2.7151 2.7151 3.5391 3.5391 3.6405 3.6405 3.8215 3.8215 4.5231 4.5231 4.8149 4.8149 5.2517 5.2517 5.2863 5.2863 5.6660 5.6660 9.9932 9.9932 10.5032 10.5032 11.8679 11.8679 12.1978 12.1978 12.3570 12.3570 12.8896 12.8896 k = 0.2727 0.2727-0.0000 ( 4856 PWs) bands (ev): -15.7254 -15.7254 -15.5365 -15.5365 -10.5127 -10.5127 -10.5089 -10.5089 -10.4850 -10.4850 -10.4439 -10.4439 -8.0388 -8.0388 -8.0206 -8.0206 -7.9547 -7.9547 -7.9402 -7.9402 -7.9063 -7.9063 -7.8607 -7.8607 -7.1556 -7.1556 -6.9152 -6.9152 -0.8896 -0.8896 -0.1953 -0.1953 1.7510 1.7510 2.4392 2.4392 2.5820 2.5820 2.6928 2.6928 3.5457 3.5457 3.6366 3.6366 3.8437 3.8437 4.5033 4.5033 4.8179 4.8179 5.2729 5.2729 5.3270 5.3270 5.6784 5.6784 9.9939 9.9939 10.4754 10.4754 11.8844 11.8844 12.2141 12.2141 12.3114 12.3114 12.8735 12.8735 k = 0.2636 0.2636-0.0000 ( 4852 PWs) bands (ev): -15.7321 -15.7321 -15.5308 -15.5308 -10.5129 -10.5129 -10.5091 -10.5091 -10.4864 -10.4864 -10.4440 -10.4440 -8.0346 -8.0346 -8.0183 -8.0183 -7.9575 -7.9575 -7.9416 -7.9416 -7.9078 -7.9078 -7.8611 -7.8611 -7.1757 -7.1757 -6.9196 -6.9196 -0.8964 -0.8964 -0.1582 -0.1582 1.7614 1.7614 2.4704 2.4704 2.5832 2.5832 2.6843 2.6843 3.5512 3.5512 3.6331 3.6331 3.8671 3.8671 4.4783 4.4783 4.8208 4.8208 5.2839 5.2839 5.3748 5.3748 5.6881 5.6881 9.9976 9.9976 10.4488 10.4488 11.9037 11.9037 12.2062 12.2062 12.2944 12.2944 12.8584 12.8584 k = 0.2545 0.2545-0.0000 ( 4850 PWs) bands (ev): -15.7389 -15.7389 -15.5250 -15.5250 -10.5130 -10.5130 -10.5094 -10.5094 -10.4878 -10.4878 -10.4441 -10.4441 -8.0306 -8.0306 -8.0160 -8.0160 -7.9601 -7.9601 -7.9430 -7.9430 -7.9093 -7.9093 -7.8614 -7.8614 -7.1959 -7.1959 -6.9240 -6.9240 -0.9019 -0.9019 -0.1197 -0.1197 1.7727 1.7727 2.5013 2.5013 2.5681 2.5681 2.6949 2.6949 3.5554 3.5554 3.6304 3.6304 3.8913 3.8913 4.4497 4.4497 4.8236 4.8236 5.2904 5.2904 5.4219 5.4219 5.6946 5.6946 10.0042 10.0042 10.4240 10.4240 11.9259 11.9259 12.1662 12.1662 12.3144 12.3144 12.8445 12.8445 k = 0.2455 0.2455-0.0000 ( 4854 PWs) bands (ev): -15.7456 -15.7456 -15.5192 -15.5192 -10.5132 -10.5132 -10.5097 -10.5097 -10.4892 -10.4892 -10.4443 -10.4443 -8.0270 -8.0270 -8.0136 -8.0136 -7.9626 -7.9626 -7.9444 -7.9444 -7.9107 -7.9107 -7.8617 -7.8617 -7.2161 -7.2161 -6.9283 -6.9283 -0.9061 -0.9061 -0.0798 -0.0798 1.7845 1.7845 2.5250 2.5250 2.5500 2.5500 2.7180 2.7180 3.5585 3.5585 3.6288 3.6288 3.9163 3.9163 4.4186 4.4186 4.8264 4.8264 5.2935 5.2935 5.4654 5.4654 5.6982 5.6982 10.0134 10.0134 10.4018 10.4018 11.9508 11.9508 12.1180 12.1180 12.3484 12.3484 12.8321 12.8321 k = 0.2364 0.2364-0.0000 ( 4846 PWs) bands (ev): -15.7524 -15.7524 -15.5134 -15.5134 -10.5134 -10.5134 -10.5100 -10.5100 -10.4905 -10.4905 -10.4444 -10.4444 -8.0241 -8.0241 -8.0109 -8.0109 -7.9650 -7.9650 -7.9458 -7.9458 -7.9120 -7.9120 -7.8621 -7.8621 -7.2362 -7.2362 -6.9325 -6.9325 -0.9090 -0.9090 -0.0387 -0.0387 1.7968 1.7968 2.5056 2.5056 2.5710 2.5710 2.7474 2.7474 3.5603 3.5603 3.6285 3.6285 3.9420 3.9420 4.3859 4.3859 4.8292 4.8292 5.2933 5.2933 5.5037 5.5037 5.6990 5.6990 10.0248 10.0248 10.3825 10.3825 11.9783 11.9783 12.0699 12.0699 12.3886 12.3886 12.8214 12.8214 k = 0.2273 0.2273-0.0000 ( 4850 PWs) bands (ev): -15.7591 -15.7591 -15.5076 -15.5076 -10.5136 -10.5136 -10.5104 -10.5104 -10.4917 -10.4917 -10.4445 -10.4445 -8.0220 -8.0220 -8.0078 -8.0078 -7.9671 -7.9671 -7.9471 -7.9471 -7.9132 -7.9132 -7.8624 -7.8624 -7.2563 -7.2563 -6.9366 -6.9366 -0.9105 -0.9105 0.0035 0.0035 1.8092 1.8092 2.4741 2.4741 2.6024 2.6024 2.7806 2.7806 3.5607 3.5607 3.6298 3.6298 3.9681 3.9681 4.3522 4.3522 4.8319 4.8319 5.2896 5.2896 5.5356 5.5356 5.6976 5.6976 10.0378 10.0378 10.3666 10.3666 12.0072 12.0072 12.0259 12.0259 12.4330 12.4330 12.8128 12.8128 k = 0.2182 0.2182-0.0000 ( 4862 PWs) bands (ev): -15.7657 -15.7657 -15.5018 -15.5018 -10.5139 -10.5139 -10.5108 -10.5108 -10.4929 -10.4929 -10.4447 -10.4447 -8.0207 -8.0207 -8.0043 -8.0043 -7.9691 -7.9691 -7.9484 -7.9484 -7.9144 -7.9144 -7.8628 -7.8628 -7.2763 -7.2763 -6.9405 -6.9405 -0.9106 -0.9106 0.0469 0.0469 1.8217 1.8217 2.4412 2.4412 2.6346 2.6346 2.8164 2.8164 3.5598 3.5598 3.6330 3.6330 3.9946 3.9946 4.3180 4.3180 4.8345 4.8345 5.2821 5.2821 5.5603 5.5603 5.6944 5.6944 10.0517 10.0517 10.3546 10.3546 11.9815 11.9815 12.0428 12.0428 12.4804 12.4804 12.8070 12.8070 k = 0.2091 0.2091-0.0000 ( 4862 PWs) bands (ev): -15.7723 -15.7723 -15.4961 -15.4961 -10.5142 -10.5142 -10.5113 -10.5113 -10.4941 -10.4941 -10.4449 -10.4449 -8.0201 -8.0201 -8.0005 -8.0005 -7.9709 -7.9709 -7.9496 -7.9496 -7.9154 -7.9154 -7.8632 -7.8632 -7.2960 -7.2960 -6.9443 -6.9443 -0.9095 -0.9095 0.0913 0.0913 1.8340 1.8340 2.4081 2.4081 2.6669 2.6669 2.8542 2.8542 3.5577 3.5577 3.6380 3.6380 4.0212 4.0212 4.2836 4.2836 4.8370 4.8370 5.2707 5.2707 5.5771 5.5771 5.6902 5.6902 10.0657 10.0657 10.3467 10.3467 11.9446 11.9446 12.0782 12.0782 12.5298 12.5298 12.8049 12.8049 k = 0.2000 0.2000-0.0000 ( 4858 PWs) bands (ev): -15.7787 -15.7787 -15.4905 -15.4905 -10.5145 -10.5145 -10.5117 -10.5117 -10.4952 -10.4952 -10.4450 -10.4450 -8.0200 -8.0200 -7.9966 -7.9966 -7.9724 -7.9724 -7.9508 -7.9508 -7.9163 -7.9163 -7.8636 -7.8636 -7.3155 -7.3155 -6.9480 -6.9480 -0.9070 -0.9070 0.1365 0.1365 1.8459 1.8459 2.3753 2.3753 2.6992 2.6992 2.8937 2.8937 3.5547 3.5547 3.6448 3.6448 4.0479 4.0479 4.2494 4.2494 4.8395 4.8395 5.2549 5.2549 5.5860 5.5860 5.6855 5.6855 10.0788 10.0788 10.3431 10.3431 11.9132 11.9132 12.1161 12.1161 12.5793 12.5793 12.8082 12.8082 k = 0.1909 0.1909-0.0000 ( 4854 PWs) bands (ev): -15.7850 -15.7850 -15.4849 -15.4849 -10.5149 -10.5149 -10.5121 -10.5121 -10.4962 -10.4962 -10.4452 -10.4452 -8.0204 -8.0204 -7.9928 -7.9928 -7.9736 -7.9736 -7.9520 -7.9520 -7.9170 -7.9170 -7.8641 -7.8641 -7.3346 -7.3346 -6.9515 -6.9515 -0.9032 -0.9032 0.1824 0.1824 1.8573 1.8573 2.3430 2.3430 2.7311 2.7311 2.9346 2.9346 3.5509 3.5509 3.6533 3.6533 4.0744 4.0744 4.2158 4.2158 4.8417 4.8417 5.2346 5.2346 5.5874 5.5874 5.6803 5.6803 10.0900 10.0900 10.3439 10.3439 11.8881 11.8881 12.1561 12.1561 12.6255 12.6255 12.8201 12.8201 k = 0.1818 0.1818-0.0000 ( 4854 PWs) bands (ev): -15.7912 -15.7912 -15.4795 -15.4795 -10.5152 -10.5152 -10.5125 -10.5125 -10.4973 -10.4973 -10.4454 -10.4454 -8.0211 -8.0211 -7.9893 -7.9893 -7.9744 -7.9744 -7.9531 -7.9531 -7.9176 -7.9176 -7.8646 -7.8646 -7.3534 -7.3534 -6.9549 -6.9549 -0.8983 -0.8983 0.2290 0.2290 1.8681 1.8681 2.3115 2.3115 2.7627 2.7627 2.9764 2.9764 3.5467 3.5467 3.6635 3.6635 4.1003 4.1003 4.1832 4.1832 4.8439 4.8439 5.2098 5.2098 5.5819 5.5819 5.6746 5.6746 10.0984 10.0984 10.3490 10.3490 11.8703 11.8703 12.1980 12.1980 12.6639 12.6639 12.8448 12.8448 k = 0.1727 0.1727-0.0000 ( 4854 PWs) bands (ev): -15.7972 -15.7972 -15.4742 -15.4742 -10.5157 -10.5157 -10.5129 -10.5129 -10.4982 -10.4982 -10.4456 -10.4456 -8.0220 -8.0220 -7.9865 -7.9865 -7.9747 -7.9747 -7.9542 -7.9542 -7.9180 -7.9180 -7.8651 -7.8651 -7.3717 -7.3717 -6.9581 -6.9581 -0.8923 -0.8923 0.2759 0.2759 1.8780 1.8780 2.2810 2.2810 2.7938 2.7938 3.0191 3.0191 3.5421 3.5421 3.6753 3.6753 4.1231 4.1231 4.1544 4.1544 4.8458 4.8458 5.1805 5.1805 5.5702 5.5702 5.6683 5.6683 10.1035 10.1035 10.3577 10.3577 11.8604 11.8604 12.2413 12.2413 12.6917 12.6917 12.8850 12.8850 k = 0.1636 0.1636-0.0000 ( 4856 PWs) bands (ev): -15.8030 -15.8030 -15.4691 -15.4691 -10.5161 -10.5161 -10.5133 -10.5133 -10.4992 -10.4992 -10.4458 -10.4458 -8.0231 -8.0231 -7.9847 -7.9847 -7.9741 -7.9741 -7.9551 -7.9551 -7.9183 -7.9183 -7.8656 -7.8656 -7.3894 -7.3894 -6.9611 -6.9611 -0.8853 -0.8853 0.3231 0.3231 1.8869 1.8869 2.2515 2.2515 2.8242 2.8242 3.0622 3.0622 3.5373 3.5373 3.6886 3.6886 4.1147 4.1147 4.1575 4.1575 4.8476 4.8476 5.1471 5.1471 5.5526 5.5526 5.6619 5.6619 10.1053 10.1053 10.3691 10.3691 11.8590 11.8590 12.2857 12.2857 12.7106 12.7106 12.9384 12.9384 k = 0.1545 0.1545-0.0000 ( 4852 PWs) bands (ev): -15.8086 -15.8086 -15.4641 -15.4641 -10.5165 -10.5165 -10.5136 -10.5136 -10.5001 -10.5001 -10.4460 -10.4460 -8.0242 -8.0242 -7.9840 -7.9840 -7.9725 -7.9725 -7.9559 -7.9559 -7.9184 -7.9184 -7.8661 -7.8661 -7.4066 -7.4066 -6.9640 -6.9640 -0.8774 -0.8774 0.3703 0.3703 1.8948 1.8948 2.2234 2.2234 2.8539 2.8539 3.1055 3.1055 3.5324 3.5324 3.7035 3.7035 4.0870 4.0870 4.1808 4.1808 4.8491 4.8491 5.1101 5.1101 5.5291 5.5291 5.6557 5.6557 10.1039 10.1039 10.3819 10.3819 11.8665 11.8665 12.3307 12.3307 12.7249 12.7249 13.0000 13.0000 k = 0.1455 0.1455-0.0000 ( 4849 PWs) bands (ev): -15.8140 -15.8140 -15.4593 -15.4593 -10.5170 -10.5170 -10.5140 -10.5140 -10.5010 -10.5010 -10.4462 -10.4462 -8.0253 -8.0253 -7.9842 -7.9842 -7.9704 -7.9704 -7.9565 -7.9565 -7.9184 -7.9184 -7.8667 -7.8667 -7.4232 -7.4232 -6.9666 -6.9666 -0.8688 -0.8688 0.4173 0.4173 1.9015 1.9015 2.1966 2.1966 2.8828 2.8828 3.1485 3.1485 3.5275 3.5275 3.7199 3.7199 4.0596 4.0596 4.2048 4.2048 4.8502 4.8502 5.0699 5.0699 5.5000 5.5000 5.6502 5.6502 10.0997 10.0997 10.3949 10.3949 11.8831 11.8831 12.3758 12.3758 12.7381 12.7381 13.0660 13.0660 k = 0.1364 0.1364-0.0000 ( 4859 PWs) bands (ev): -15.8191 -15.8191 -15.4547 -15.4547 -10.5174 -10.5174 -10.5143 -10.5143 -10.5018 -10.5018 -10.4464 -10.4464 -8.0264 -8.0264 -7.9848 -7.9848 -7.9685 -7.9685 -7.9568 -7.9568 -7.9182 -7.9182 -7.8673 -7.8673 -7.4391 -7.4391 -6.9691 -6.9691 -0.8595 -0.8595 0.4638 0.4638 1.9071 1.9071 2.1714 2.1714 2.9108 2.9108 3.1909 3.1909 3.5227 3.5227 3.7378 3.7378 4.0341 4.0341 4.2283 4.2283 4.8508 4.8508 5.0273 5.0273 5.4656 5.4656 5.6457 5.6457 10.0932 10.0932 10.4070 10.4070 11.9084 11.9084 12.4206 12.4206 12.7521 12.7521 13.1334 13.1334 k = 0.1273 0.1273-0.0000 ( 4867 PWs) bands (ev): -15.8240 -15.8240 -15.4503 -15.4503 -10.5179 -10.5179 -10.5146 -10.5146 -10.5026 -10.5026 -10.4466 -10.4466 -8.0275 -8.0275 -7.9856 -7.9856 -7.9672 -7.9672 -7.9565 -7.9565 -7.9179 -7.9179 -7.8679 -7.8679 -7.4542 -7.4542 -6.9714 -6.9714 -0.8498 -0.8498 0.5096 0.5096 1.9113 1.9113 2.1479 2.1479 2.9377 2.9377 3.2320 3.2320 3.5180 3.5180 3.7571 3.7571 4.0111 4.0111 4.2510 4.2510 4.8507 4.8507 4.9829 4.9829 5.4267 5.4267 5.6420 5.6420 10.0849 10.0849 10.4175 10.4175 11.9420 11.9420 12.4643 12.4643 12.7685 12.7685 13.2001 13.2001 k = 0.1182 0.1182-0.0000 ( 4869 PWs) bands (ev): -15.8287 -15.8287 -15.4462 -15.4462 -10.5183 -10.5183 -10.5149 -10.5149 -10.5033 -10.5033 -10.4468 -10.4468 -8.0284 -8.0284 -7.9865 -7.9865 -7.9666 -7.9666 -7.9556 -7.9556 -7.9174 -7.9174 -7.8685 -7.8685 -7.4686 -7.4686 -6.9735 -6.9735 -0.8397 -0.8397 0.5544 0.5544 1.9142 1.9142 2.1263 2.1263 2.9635 2.9635 3.2714 3.2714 3.5137 3.5137 3.7776 3.7776 3.9912 3.9912 4.2726 4.2726 4.8490 4.8490 4.9382 4.9382 5.3841 5.3841 5.6391 5.6391 10.0753 10.0753 10.4260 10.4260 11.9829 11.9829 12.5062 12.5062 12.7882 12.7882 13.2641 13.2641 k = 0.1091 0.1091-0.0000 ( 4873 PWs) bands (ev): -15.8330 -15.8330 -15.4423 -15.4423 -10.5187 -10.5187 -10.5151 -10.5151 -10.5040 -10.5040 -10.4470 -10.4470 -8.0293 -8.0293 -7.9874 -7.9874 -7.9666 -7.9666 -7.9544 -7.9544 -7.9168 -7.9168 -7.8692 -7.8692 -7.4821 -7.4821 -6.9755 -6.9755 -0.8295 -0.8295 0.5979 0.5979 1.9157 1.9157 2.1066 2.1066 2.9880 2.9880 3.3081 3.3081 3.5098 3.5098 3.7992 3.7992 3.9751 3.9751 4.2930 4.2930 4.8427 4.8427 4.8968 4.8968 5.3386 5.3386 5.6369 5.6369 10.0645 10.0645 10.4323 10.4323 12.0299 12.0299 12.5455 12.5455 12.8124 12.8124 13.3239 13.3239 k = 0.1000 0.1000-0.0000 ( 4881 PWs) bands (ev): -15.8371 -15.8371 -15.4386 -15.4386 -10.5190 -10.5190 -10.5154 -10.5154 -10.5047 -10.5047 -10.4472 -10.4472 -8.0300 -8.0300 -7.9884 -7.9884 -7.9670 -7.9670 -7.9529 -7.9529 -7.9160 -7.9160 -7.8698 -7.8698 -7.4947 -7.4947 -6.9773 -6.9773 -0.8193 -0.8193 0.6398 0.6398 1.9160 1.9160 2.0889 2.0889 3.0112 3.0112 3.3412 3.3412 3.5068 3.5068 3.8218 3.8218 3.9634 3.9634 4.3121 4.3121 4.8202 4.8202 4.8705 4.8705 5.2913 5.2913 5.6351 5.6351 10.0532 10.0532 10.4365 10.4365 12.0814 12.0814 12.5814 12.5814 12.8415 12.8415 13.3775 13.3775 k = 0.0909 0.0909-0.0000 ( 4887 PWs) bands (ev): -15.8408 -15.8408 -15.4353 -15.4353 -10.5193 -10.5193 -10.5157 -10.5157 -10.5054 -10.5054 -10.4474 -10.4474 -8.0305 -8.0305 -7.9893 -7.9893 -7.9676 -7.9676 -7.9516 -7.9516 -7.9152 -7.9152 -7.8704 -7.8704 -7.5063 -7.5063 -6.9789 -6.9789 -0.8092 -0.8092 0.6797 0.6797 1.9150 1.9150 2.0734 2.0734 3.0329 3.0329 3.3698 3.3698 3.5048 3.5048 3.8449 3.8449 3.9570 3.9570 4.3297 4.3297 4.7797 4.7797 4.8615 4.8615 5.2431 5.2431 5.6338 5.6338 10.0415 10.0415 10.4389 10.4389 12.1358 12.1358 12.6136 12.6136 12.8757 12.8757 13.4233 13.4233 k = 0.0818 0.0818-0.0000 ( 4887 PWs) bands (ev): -15.8442 -15.8442 -15.4322 -15.4322 -10.5196 -10.5196 -10.5159 -10.5159 -10.5059 -10.5059 -10.4475 -10.4475 -8.0310 -8.0310 -7.9902 -7.9902 -7.9683 -7.9683 -7.9503 -7.9503 -7.9142 -7.9142 -7.8710 -7.8710 -7.5170 -7.5170 -6.9803 -6.9803 -0.7994 -0.7994 0.7173 0.7173 1.9128 1.9128 2.0600 2.0600 3.0530 3.0530 3.3927 3.3927 3.5044 3.5044 3.8681 3.8681 3.9566 3.9566 4.3456 4.3456 4.7345 4.7345 4.8570 4.8570 5.1951 5.1951 5.6327 5.6327 10.0299 10.0299 10.4398 10.4398 12.1914 12.1914 12.6423 12.6423 12.9144 12.9144 13.4601 13.4601 k = 0.0727 0.0727-0.0000 ( 4887 PWs) bands (ev): -15.8473 -15.8473 -15.4294 -15.4294 -10.5198 -10.5198 -10.5161 -10.5161 -10.5065 -10.5065 -10.4477 -10.4477 -8.0312 -8.0312 -7.9910 -7.9910 -7.9691 -7.9691 -7.9492 -7.9492 -7.9132 -7.9132 -7.8716 -7.8716 -7.5267 -7.5267 -6.9816 -6.9816 -0.7902 -0.7902 0.7522 0.7522 1.9098 1.9098 2.0487 2.0487 3.0715 3.0715 3.4093 3.4093 3.5057 3.5057 3.8912 3.8912 3.9627 3.9627 4.3596 4.3596 4.6889 4.6889 4.8528 4.8528 5.1486 5.1486 5.6319 5.6319 10.0186 10.0186 10.4395 10.4395 12.2462 12.2462 12.6680 12.6680 12.9564 12.9564 13.4867 13.4867 k = 0.0636 0.0636-0.0000 ( 4885 PWs) bands (ev): -15.8500 -15.8500 -15.4269 -15.4269 -10.5200 -10.5200 -10.5163 -10.5163 -10.5069 -10.5069 -10.4478 -10.4478 -8.0314 -8.0314 -7.9918 -7.9918 -7.9699 -7.9699 -7.9483 -7.9483 -7.9123 -7.9123 -7.8721 -7.8721 -7.5353 -7.5353 -6.9827 -6.9827 -0.7816 -0.7816 0.7841 0.7841 1.9061 1.9061 2.0393 2.0393 3.0882 3.0882 3.4196 3.4196 3.5086 3.5086 3.9137 3.9137 3.9750 3.9750 4.3715 4.3715 4.6447 4.6447 4.8477 4.8477 5.1049 5.1049 5.6313 5.6313 10.0079 10.0079 10.4384 10.4384 12.2986 12.2986 12.6914 12.6914 13.0000 13.0000 13.5027 13.5027 k = 0.0545 0.0545-0.0000 ( 4895 PWs) bands (ev): -15.8524 -15.8524 -15.4247 -15.4247 -10.5202 -10.5202 -10.5165 -10.5165 -10.5074 -10.5074 -10.4480 -10.4480 -8.0315 -8.0315 -7.9925 -7.9925 -7.9706 -7.9706 -7.9476 -7.9476 -7.9114 -7.9114 -7.8726 -7.8726 -7.5428 -7.5428 -6.9837 -6.9837 -0.7738 -0.7738 0.8126 0.8126 1.9021 1.9021 2.0316 2.0316 3.1029 3.1029 3.4250 3.4250 3.5121 3.5121 3.9357 3.9357 3.9924 3.9924 4.3809 4.3809 4.6029 4.6029 4.8408 4.8408 5.0654 5.0654 5.6308 5.6308 9.9981 9.9981 10.4367 10.4367 12.3470 12.3470 12.7131 12.7131 13.0434 13.0434 13.5089 13.5089 k = 0.0455 0.0455-0.0000 ( 4887 PWs) bands (ev): -15.8545 -15.8545 -15.4229 -15.4229 -10.5203 -10.5203 -10.5166 -10.5166 -10.5078 -10.5078 -10.4481 -10.4481 -8.0315 -8.0315 -7.9931 -7.9931 -7.9713 -7.9713 -7.9470 -7.9470 -7.9105 -7.9105 -7.8730 -7.8730 -7.5492 -7.5492 -6.9845 -6.9845 -0.7670 -0.7670 0.8374 0.8374 1.8981 1.8981 2.0256 2.0256 3.1157 3.1157 3.4271 3.4271 3.5153 3.5153 3.9572 3.9572 4.0131 4.0131 4.3870 4.3870 4.5649 4.5649 4.8319 4.8319 5.0317 5.0317 5.6304 5.6304 9.9894 9.9894 10.4349 10.4349 12.3897 12.3897 12.7335 12.7335 13.0845 13.0845 13.5069 13.5069 k = 0.0364 0.0364-0.0000 ( 4883 PWs) bands (ev): -15.8561 -15.8561 -15.4213 -15.4213 -10.5204 -10.5204 -10.5167 -10.5167 -10.5081 -10.5081 -10.4482 -10.4482 -8.0314 -8.0314 -7.9936 -7.9936 -7.9719 -7.9719 -7.9466 -7.9466 -7.9098 -7.9098 -7.8734 -7.8734 -7.5545 -7.5545 -6.9852 -6.9852 -0.7612 -0.7612 0.8581 0.8581 1.8943 1.8943 2.0209 2.0209 3.1264 3.1264 3.4273 3.4273 3.5177 3.5177 3.9778 3.9778 4.0349 4.0349 4.3892 4.3892 4.5325 4.5325 4.8210 4.8210 5.0049 5.0049 5.6301 5.6301 9.9819 9.9819 10.4331 10.4331 12.4257 12.4257 12.7525 12.7525 13.1215 13.1215 13.4991 13.4991 k = 0.0273 0.0273-0.0000 ( 4873 PWs) bands (ev): -15.8575 -15.8575 -15.4201 -15.4201 -10.5205 -10.5205 -10.5168 -10.5168 -10.5083 -10.5083 -10.4483 -10.4483 -8.0314 -8.0314 -7.9940 -7.9940 -7.9723 -7.9723 -7.9463 -7.9463 -7.9091 -7.9091 -7.8737 -7.8737 -7.5586 -7.5586 -6.9857 -6.9857 -0.7566 -0.7566 0.8745 0.8745 1.8912 1.8912 2.0174 2.0174 3.1348 3.1348 3.4265 3.4265 3.5193 3.5193 3.9963 3.9963 4.0560 4.0560 4.3866 4.3866 4.5077 4.5077 4.8091 4.8091 4.9854 4.9854 5.6298 5.6298 9.9760 9.9760 10.4315 10.4315 12.4541 12.4541 12.7693 12.7693 13.1523 13.1523 13.4888 13.4888 k = 0.0182 0.0182-0.0000 ( 4859 PWs) bands (ev): -15.8584 -15.8584 -15.4193 -15.4193 -10.5205 -10.5205 -10.5168 -10.5168 -10.5085 -10.5085 -10.4483 -10.4483 -8.0313 -8.0313 -7.9943 -7.9943 -7.9727 -7.9727 -7.9460 -7.9460 -7.9087 -7.9087 -7.8739 -7.8739 -7.5616 -7.5616 -6.9860 -6.9860 -0.7532 -0.7532 0.8864 0.8864 1.8888 1.8888 2.0150 2.0150 3.1409 3.1409 3.4256 3.4256 3.5201 3.5201 4.0110 4.0110 4.0741 4.0741 4.3801 4.3801 4.4918 4.4918 4.7982 4.7982 4.9725 4.9725 5.6297 5.6297 9.9717 9.9717 10.4302 10.4302 12.4744 12.4744 12.7829 12.7829 13.1754 13.1754 13.4789 13.4789 k = 0.0091 0.0091-0.0000 ( 4859 PWs) bands (ev): -15.8589 -15.8589 -15.4187 -15.4187 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0313 -8.0313 -7.9945 -7.9945 -7.9729 -7.9729 -7.9459 -7.9459 -7.9084 -7.9084 -7.8740 -7.8740 -7.5634 -7.5634 -6.9862 -6.9862 -0.7512 -0.7512 0.8937 0.8937 1.8873 1.8873 2.0136 2.0136 3.1446 3.1446 3.4249 3.4249 3.5205 3.5205 4.0206 4.0206 4.0867 4.0867 4.3731 4.3731 4.4836 4.4836 4.7905 4.7905 4.9653 4.9653 5.6296 5.6296 9.9690 9.9690 10.4294 10.4294 12.4866 12.4866 12.7918 12.7918 13.1897 13.1897 13.4719 13.4719 k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0312 -8.0312 -7.9946 -7.9946 -7.9730 -7.9730 -7.9459 -7.9459 -7.9083 -7.9083 -7.8741 -7.8741 -7.5640 -7.5640 -6.9863 -6.9863 -0.7505 -0.7505 0.8961 0.8961 1.8868 1.8868 2.0131 2.0131 3.1458 3.1458 3.4246 3.4246 3.5206 3.5206 4.0239 4.0239 4.0912 4.0912 4.3701 4.3701 4.4812 4.4812 4.7877 4.7877 4.9630 4.9630 5.6295 5.6295 9.9681 9.9681 10.4292 10.4292 12.4907 12.4907 12.7949 12.7949 13.1945 13.1945 13.4693 13.4693 k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0312 -8.0312 -7.9946 -7.9946 -7.9730 -7.9730 -7.9459 -7.9459 -7.9083 -7.9083 -7.8741 -7.8741 -7.5640 -7.5640 -6.9863 -6.9863 -0.7505 -0.7505 0.8961 0.8961 1.8868 1.8868 2.0131 2.0131 3.1458 3.1458 3.4246 3.4246 3.5206 3.5206 4.0239 4.0239 4.0912 4.0912 4.3701 4.3701 4.4812 4.4812 4.7877 4.7877 4.9630 4.9630 5.6295 5.6295 9.9681 9.9681 10.4292 10.4292 12.4907 12.4907 12.7949 12.7949 13.1945 13.1945 13.4693 13.4693 k = 0.0000 0.0000 0.0129 ( 4859 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5206 -10.5206 -10.5169 -10.5169 -10.5086 -10.5086 -10.4484 -10.4484 -8.0312 -8.0312 -7.9946 -7.9946 -7.9730 -7.9730 -7.9459 -7.9459 -7.9083 -7.9083 -7.8740 -7.8740 -7.5640 -7.5640 -6.9863 -6.9863 -0.7493 -0.7493 0.8936 0.8936 1.8870 1.8870 2.0133 2.0133 3.1458 3.1458 3.4246 3.4246 3.5206 3.5206 4.0090 4.0090 4.1083 4.1083 4.3683 4.3683 4.4798 4.4798 4.7896 4.7896 4.9643 4.9643 5.6310 5.6310 9.9619 9.9619 10.4302 10.4302 12.4885 12.4885 12.7943 12.7943 13.1956 13.1956 13.4703 13.4703 k = 0.0000 0.0000 0.0258 ( 4859 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5207 -10.5207 -10.5169 -10.5169 -10.5085 -10.5085 -10.4484 -10.4484 -8.0311 -8.0311 -7.9946 -7.9946 -7.9731 -7.9731 -7.9459 -7.9459 -7.9084 -7.9084 -7.8740 -7.8740 -7.5642 -7.5642 -6.9863 -6.9863 -0.7455 -0.7455 0.8861 0.8861 1.8875 1.8875 2.0137 2.0137 3.1458 3.1458 3.4245 3.4245 3.5206 3.5206 3.9815 3.9815 4.1423 4.1423 4.3629 4.3629 4.4755 4.4755 4.7952 4.7952 4.9681 4.9681 5.6354 5.6354 9.9437 9.9437 10.4332 10.4332 12.4821 12.4821 12.7925 12.7925 13.1990 13.1990 13.4730 13.4730 k = 0.0000 0.0000 0.0387 ( 4867 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5208 -10.5208 -10.5169 -10.5169 -10.5084 -10.5084 -10.4484 -10.4484 -8.0309 -8.0309 -7.9945 -7.9945 -7.9733 -7.9733 -7.9458 -7.9458 -7.9085 -7.9085 -7.8740 -7.8740 -7.5645 -7.5645 -6.9864 -6.9864 -0.7393 -0.7393 0.8738 0.8738 1.8885 1.8885 2.0146 2.0146 3.1458 3.1458 3.4243 3.4243 3.5205 3.5205 3.9526 3.9526 4.1816 4.1816 4.3546 4.3546 4.4687 4.4687 4.8040 4.8040 4.9742 4.9742 5.6426 5.6426 9.9146 9.9146 10.4371 10.4371 12.4720 12.4720 12.7892 12.7892 13.2045 13.2045 13.4775 13.4775 k = 0.0000 0.0000 0.0516 ( 4883 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5210 -10.5210 -10.5169 -10.5169 -10.5082 -10.5082 -10.4484 -10.4484 -8.0306 -8.0306 -7.9945 -7.9945 -7.9735 -7.9735 -7.9458 -7.9458 -7.9086 -7.9086 -7.8740 -7.8740 -7.5648 -7.5648 -6.9865 -6.9865 -0.7307 -0.7307 0.8569 0.8569 1.8899 1.8899 2.0157 2.0157 3.1458 3.1458 3.4241 3.4241 3.5205 3.5205 3.9247 3.9247 4.2228 4.2228 4.3447 4.3447 4.4596 4.4596 4.8155 4.8155 4.9823 4.9823 5.6524 5.6524 9.8762 9.8762 10.4411 10.4411 12.4589 12.4589 12.7841 12.7841 13.2122 13.2122 13.4837 13.4837 k = 0.0000 0.0000 0.0645 ( 4875 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5211 -10.5211 -10.5168 -10.5168 -10.5080 -10.5080 -10.4484 -10.4484 -8.0302 -8.0302 -7.9944 -7.9944 -7.9737 -7.9737 -7.9458 -7.9458 -7.9087 -7.9087 -7.8740 -7.8740 -7.5653 -7.5653 -6.9865 -6.9865 -0.7197 -0.7197 0.8357 0.8357 1.8915 1.8915 2.0171 2.0171 3.1458 3.1458 3.4237 3.4237 3.5204 3.5204 3.8983 3.8983 4.2620 4.2620 4.3373 4.3373 4.4486 4.4486 4.8290 4.8290 4.9920 4.9920 5.6646 5.6646 9.8300 9.8300 10.4440 10.4440 12.4437 12.4437 12.7769 12.7769 13.2221 13.2221 13.4916 13.4916 k = 0.0000 0.0000 0.0774 ( 4887 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5213 -10.5213 -10.5168 -10.5168 -10.5077 -10.5077 -10.4485 -10.4485 -8.0298 -8.0298 -7.9943 -7.9943 -7.9741 -7.9741 -7.9457 -7.9457 -7.9089 -7.9089 -7.8740 -7.8740 -7.5659 -7.5659 -6.9866 -6.9866 -0.7064 -0.7064 0.8105 0.8105 1.8935 1.8935 2.0188 2.0188 3.1457 3.1457 3.4233 3.4233 3.5203 3.5203 3.8734 3.8734 4.2839 4.2839 4.3476 4.3476 4.4361 4.4361 4.8441 4.8441 5.0031 5.0031 5.6790 5.6790 9.7775 9.7775 10.4453 10.4453 12.4272 12.4272 12.7674 12.7674 13.2341 13.2341 13.5011 13.5011 k = 0.0000 0.0000 0.0902 ( 4879 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5216 -10.5216 -10.5168 -10.5168 -10.5074 -10.5074 -10.4485 -10.4485 -8.0293 -8.0293 -7.9942 -7.9942 -7.9745 -7.9745 -7.9456 -7.9456 -7.9091 -7.9091 -7.8740 -7.8740 -7.5665 -7.5665 -6.9867 -6.9867 -0.6909 -0.6909 0.7818 0.7818 1.8958 1.8958 2.0207 2.0207 3.1457 3.1457 3.4229 3.4229 3.5202 3.5202 3.8501 3.8501 4.2788 4.2788 4.3856 4.3856 4.4225 4.4225 4.8602 4.8602 5.0150 5.0150 5.6952 5.6952 9.7202 9.7202 10.4444 10.4444 12.4104 12.4104 12.7554 12.7554 13.2482 13.2482 13.5119 13.5119 k = 0.0000 0.0000 0.1031 ( 4879 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5218 -10.5218 -10.5168 -10.5168 -10.5071 -10.5071 -10.4485 -10.4485 -8.0287 -8.0287 -7.9941 -7.9941 -7.9749 -7.9749 -7.9456 -7.9456 -7.9093 -7.9093 -7.8740 -7.8740 -7.5671 -7.5671 -6.9868 -6.9868 -0.6733 -0.6733 0.7499 0.7499 1.8983 1.8983 2.0228 2.0228 3.1457 3.1457 3.4224 3.4224 3.5201 3.5201 3.8284 3.8284 4.2645 4.2645 4.4082 4.4082 4.4334 4.4334 4.8767 4.8767 5.0275 5.0275 5.7129 5.7129 9.6595 9.6595 10.4411 10.4411 12.3939 12.3939 12.7411 12.7411 13.2642 13.2642 13.5241 13.5241 k = 0.0000 0.0000 0.1160 ( 4887 PWs) bands (ev): -15.8591 -15.8591 -15.4186 -15.4186 -10.5220 -10.5220 -10.5168 -10.5168 -10.5068 -10.5068 -10.4485 -10.4485 -8.0280 -8.0280 -7.9939 -7.9939 -7.9755 -7.9755 -7.9455 -7.9455 -7.9095 -7.9095 -7.8740 -7.8740 -7.5678 -7.5678 -6.9870 -6.9870 -0.6539 -0.6539 0.7154 0.7154 1.9010 1.9010 2.0250 2.0250 3.1456 3.1456 3.4218 3.4218 3.5199 3.5199 3.8081 3.8081 4.2479 4.2479 4.3935 4.3935 4.4842 4.4842 4.8933 4.8933 5.0403 5.0403 5.7317 5.7317 9.5965 9.5965 10.4354 10.4354 12.3784 12.3784 12.7246 12.7246 13.2822 13.2822 13.5374 13.5374 k = 0.0000 0.0000 0.1289 ( 4887 PWs) bands (ev): -15.8590 -15.8590 -15.4186 -15.4186 -10.5223 -10.5223 -10.5167 -10.5167 -10.5065 -10.5065 -10.4486 -10.4486 -8.0273 -8.0273 -7.9938 -7.9938 -7.9761 -7.9761 -7.9454 -7.9454 -7.9097 -7.9097 -7.8740 -7.8740 -7.5686 -7.5686 -6.9871 -6.9871 -0.6327 -0.6327 0.6787 0.6787 1.9038 1.9038 2.0274 2.0274 3.1456 3.1456 3.4211 3.4211 3.5198 3.5198 3.7894 3.7894 4.2307 4.2307 4.3788 4.3788 4.5362 4.5362 4.9097 4.9097 5.0530 5.0530 5.7511 5.7511 9.5323 9.5323 10.4273 10.4273 12.3646 12.3646 12.7060 12.7060 13.3021 13.3021 13.5516 13.5516 k = 0.0000 0.0000 0.1418 ( 4907 PWs) bands (ev): -15.8590 -15.8590 -15.4186 -15.4186 -10.5225 -10.5225 -10.5167 -10.5167 -10.5062 -10.5062 -10.4486 -10.4486 -8.0265 -8.0265 -7.9937 -7.9937 -7.9768 -7.9768 -7.9453 -7.9453 -7.9100 -7.9100 -7.8740 -7.8740 -7.5693 -7.5693 -6.9872 -6.9872 -0.6099 -0.6099 0.6406 0.6406 1.9067 1.9067 2.0297 2.0297 3.1455 3.1455 3.4204 3.4204 3.5196 3.5196 3.7722 3.7722 4.2136 4.2136 4.3643 4.3643 4.5882 4.5882 4.9255 4.9255 5.0654 5.0654 5.7707 5.7707 9.4683 9.4683 10.4172 10.4172 12.3530 12.3530 12.6857 12.6857 13.3237 13.3237 13.5665 13.5665 k = 0.0000 0.0000 0.1547 ( 4907 PWs) bands (ev): -15.8590 -15.8590 -15.4186 -15.4186 -10.5227 -10.5227 -10.5167 -10.5167 -10.5059 -10.5059 -10.4487 -10.4487 -8.0257 -8.0257 -7.9936 -7.9936 -7.9775 -7.9775 -7.9452 -7.9452 -7.9103 -7.9103 -7.8740 -7.8740 -7.5700 -7.5700 -6.9874 -6.9874 -0.5860 -0.5860 0.6014 0.6014 1.9096 1.9096 2.0322 2.0322 3.1455 3.1455 3.4197 3.4197 3.5195 3.5195 3.7564 3.7564 4.1971 4.1971 4.3502 4.3502 4.6396 4.6396 4.9405 4.9405 5.0774 5.0774 5.7902 5.7902 9.4053 9.4053 10.4054 10.4054 12.3438 12.3438 12.6640 12.6640 13.3470 13.3470 13.5817 13.5817 k = 0.0000 0.0000 0.1676 ( 4899 PWs) bands (ev): -15.8590 -15.8590 -15.4186 -15.4186 -10.5229 -10.5229 -10.5167 -10.5167 -10.5056 -10.5056 -10.4487 -10.4487 -8.0248 -8.0248 -7.9934 -7.9934 -7.9782 -7.9782 -7.9451 -7.9451 -7.9105 -7.9105 -7.8740 -7.8740 -7.5707 -7.5707 -6.9875 -6.9875 -0.5611 -0.5611 0.5619 0.5619 1.9124 1.9124 2.0345 2.0345 3.1455 3.1455 3.4190 3.4190 3.5193 3.5193 3.7421 3.7421 4.1815 4.1815 4.3369 4.3369 4.6896 4.6896 4.9545 4.9545 5.0887 5.0887 5.8090 5.8090 9.3445 9.3445 10.3923 10.3923 12.3373 12.3373 12.6411 12.6411 13.3719 13.3719 13.5971 13.5971 k = 0.0000 0.0000 0.1805 ( 4899 PWs) bands (ev): -15.8590 -15.8590 -15.4186 -15.4186 -10.5231 -10.5231 -10.5166 -10.5166 -10.5053 -10.5053 -10.4487 -10.4487 -8.0239 -8.0239 -7.9933 -7.9933 -7.9790 -7.9790 -7.9450 -7.9450 -7.9107 -7.9107 -7.8740 -7.8740 -7.5714 -7.5714 -6.9877 -6.9877 -0.5357 -0.5357 0.5227 0.5227 1.9152 1.9152 2.0368 2.0368 3.1454 3.1454 3.4182 3.4182 3.5191 3.5191 3.7293 3.7293 4.1669 4.1669 4.3244 4.3244 4.7375 4.7375 4.9673 4.9673 5.0992 5.0992 5.8269 5.8269 9.2869 9.2869 10.3785 10.3785 12.3338 12.3338 12.6175 12.6175 13.3981 13.3981 13.6123 13.6123 k = 0.0000 0.0000 0.1934 ( 4898 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5233 -10.5233 -10.5166 -10.5166 -10.5051 -10.5051 -10.4488 -10.4488 -8.0230 -8.0230 -7.9932 -7.9932 -7.9798 -7.9798 -7.9450 -7.9450 -7.9110 -7.9110 -7.8740 -7.8740 -7.5720 -7.5720 -6.9878 -6.9878 -0.5104 -0.5104 0.4846 0.4846 1.9178 1.9178 2.0390 2.0390 3.1454 3.1454 3.4175 3.4175 3.5190 3.5190 3.7179 3.7179 4.1537 4.1537 4.3131 4.3131 4.7824 4.7824 4.9787 4.9787 5.1087 5.1087 5.8433 5.8433 9.2334 9.2334 10.3646 10.3646 12.3331 12.3331 12.5935 12.5935 13.4257 13.4257 13.6269 13.6269 k = 0.0000 0.0000 0.2063 ( 4902 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5234 -10.5234 -10.5166 -10.5166 -10.5049 -10.5049 -10.4488 -10.4488 -8.0222 -8.0222 -7.9931 -7.9931 -7.9806 -7.9806 -7.9449 -7.9449 -7.9112 -7.9112 -7.8740 -7.8740 -7.5726 -7.5726 -6.9879 -6.9879 -0.4856 -0.4856 0.4484 0.4484 1.9202 1.9202 2.0410 2.0410 3.1454 3.1454 3.4168 3.4168 3.5188 3.5188 3.7080 3.7080 4.1419 4.1419 4.3029 4.3029 4.8237 4.8237 4.9886 4.9886 5.1171 5.1171 5.8582 5.8582 9.1850 9.1850 10.3510 10.3510 12.3353 12.3353 12.5695 12.5695 13.4544 13.4544 13.6406 13.6406 k = 0.0000 0.0000 0.2192 ( 4882 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5236 -10.5236 -10.5166 -10.5166 -10.5046 -10.5046 -10.4488 -10.4488 -8.0214 -8.0214 -7.9930 -7.9930 -7.9813 -7.9813 -7.9448 -7.9448 -7.9113 -7.9113 -7.8740 -7.8740 -7.5731 -7.5731 -6.9880 -6.9880 -0.4622 -0.4622 0.4149 0.4149 1.9223 1.9223 2.0427 2.0427 3.1454 3.1454 3.4162 3.4162 3.5187 3.5187 3.6996 3.6996 4.1318 4.1318 4.2941 4.2941 4.8606 4.8606 4.9969 4.9969 5.1245 5.1245 5.8711 5.8711 9.1425 9.1425 10.3383 10.3383 12.3400 12.3400 12.5460 12.5460 13.4839 13.4839 13.6530 13.6530 k = 0.0000 0.0000 0.2321 ( 4862 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5236 -10.5236 -10.5165 -10.5165 -10.5045 -10.5045 -10.4488 -10.4488 -8.0206 -8.0206 -7.9929 -7.9929 -7.9819 -7.9819 -7.9447 -7.9447 -7.9115 -7.9115 -7.8740 -7.8740 -7.5735 -7.5735 -6.9881 -6.9881 -0.4410 -0.4410 0.3853 0.3853 1.9241 1.9241 2.0442 2.0442 3.1454 3.1454 3.4157 3.4157 3.5186 3.5186 3.6927 3.6927 4.1233 4.1233 4.2868 4.2868 4.8923 4.8923 5.0034 5.0034 5.1305 5.1305 5.8818 5.8818 9.1065 9.1065 10.3272 10.3272 12.3470 12.3470 12.5234 12.5234 13.5141 13.5141 13.6637 13.6637 k = 0.0000 0.0000 0.2450 ( 4862 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5237 -10.5237 -10.5165 -10.5165 -10.5044 -10.5044 -10.4489 -10.4489 -8.0200 -8.0200 -7.9928 -7.9928 -7.9825 -7.9825 -7.9447 -7.9447 -7.9116 -7.9116 -7.8740 -7.8740 -7.5738 -7.5738 -6.9882 -6.9882 -0.4230 -0.4230 0.3607 0.3607 1.9256 1.9256 2.0454 2.0454 3.1454 3.1454 3.4152 3.4152 3.5185 3.5185 3.6874 3.6874 4.1166 4.1166 4.2810 4.2810 4.9183 4.9183 5.0081 5.0081 5.1353 5.1353 5.8903 5.8903 9.0779 9.0779 10.3180 10.3180 12.3556 12.3556 12.5026 12.5026 13.5443 13.5443 13.6724 13.6724 k = 0.0000 0.0000 0.2578 ( 4874 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5238 -10.5238 -10.5165 -10.5165 -10.5043 -10.5043 -10.4489 -10.4489 -8.0196 -8.0196 -7.9928 -7.9928 -7.9830 -7.9830 -7.9446 -7.9446 -7.9117 -7.9117 -7.8740 -7.8740 -7.5740 -7.5740 -6.9882 -6.9882 -0.4091 -0.4091 0.3420 0.3420 1.9266 1.9266 2.0463 2.0463 3.1453 3.1453 3.4149 3.4149 3.5185 3.5185 3.6835 3.6835 4.1118 4.1118 4.2768 4.2768 4.9378 4.9378 5.0110 5.0110 5.1388 5.1388 5.8964 5.8964 9.0570 9.0570 10.3111 10.3111 12.3647 12.3647 12.4848 12.4848 13.5737 13.5737 13.6784 13.6784 k = 0.0000 0.0000 0.2707 ( 4882 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5238 -10.5238 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0193 -8.0193 -7.9927 -7.9927 -7.9832 -7.9832 -7.9446 -7.9446 -7.9118 -7.9118 -7.8740 -7.8740 -7.5742 -7.5742 -6.9883 -6.9883 -0.4004 -0.4004 0.3303 0.3303 1.9273 1.9273 2.0468 2.0468 3.1453 3.1453 3.4147 3.4147 3.5184 3.5184 3.6812 3.6812 4.1089 4.1089 4.2742 4.2742 4.9500 4.9500 5.0124 5.0124 5.1409 5.1409 5.9001 5.9001 9.0444 9.0444 10.3069 10.3069 12.3723 12.3723 12.4719 12.4719 13.5993 13.5993 13.6808 13.6808 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5239 -10.5239 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0192 -8.0192 -7.9927 -7.9927 -7.9833 -7.9833 -7.9446 -7.9446 -7.9118 -7.9118 -7.8740 -7.8740 -7.5742 -7.5742 -6.9883 -6.9883 -0.3974 -0.3974 0.3263 0.3263 1.9275 1.9275 2.0470 2.0470 3.1453 3.1453 3.4146 3.4146 3.5184 3.5184 3.6804 3.6804 4.1079 4.1079 4.2734 4.2734 4.9542 4.9542 5.0128 5.0128 5.1416 5.1416 5.9014 5.9014 9.0401 9.0401 10.3054 10.3054 12.3754 12.3754 12.4671 12.4671 13.6115 13.6115 13.6794 13.6794 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5239 -10.5239 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0192 -8.0192 -7.9927 -7.9927 -7.9833 -7.9833 -7.9446 -7.9446 -7.9118 -7.9118 -7.8740 -7.8740 -7.5742 -7.5742 -6.9883 -6.9883 -0.3974 -0.3974 0.3263 0.3263 1.9275 1.9275 2.0470 2.0470 3.1453 3.1453 3.4146 3.4146 3.5184 3.5184 3.6804 3.6804 4.1079 4.1079 4.2734 4.2734 4.9542 4.9542 5.0128 5.0128 5.1416 5.1416 5.9014 5.9014 9.0401 9.0401 10.3054 10.3054 12.3754 12.3754 12.4671 12.4671 13.6115 13.6115 13.6794 13.6794 k = 0.0000 0.0128 0.2836 ( 4882 PWs) bands (ev): -15.8587 -15.8587 -15.4188 -15.4188 -10.5238 -10.5238 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0193 -8.0193 -7.9928 -7.9928 -7.9830 -7.9830 -7.9447 -7.9447 -7.9118 -7.9118 -7.8740 -7.8740 -7.5737 -7.5737 -6.9882 -6.9882 -0.3982 -0.3982 0.3245 0.3245 1.9278 1.9278 2.0473 2.0473 3.1437 3.1437 3.4148 3.4148 3.5182 3.5182 3.6794 3.6794 4.1089 4.1089 4.2743 4.2743 4.9528 4.9528 5.0148 5.0148 5.1427 5.1427 5.9005 5.9005 9.0425 9.0425 10.3058 10.3058 12.3650 12.3650 12.4717 12.4717 13.5979 13.5979 13.6832 13.6832 k = 0.0000 0.0256 0.2836 ( 4886 PWs) bands (ev): -15.8581 -15.8581 -15.4193 -15.4193 -10.5238 -10.5238 -10.5165 -10.5165 -10.5041 -10.5041 -10.4488 -10.4488 -8.0196 -8.0196 -7.9931 -7.9931 -7.9821 -7.9821 -7.9449 -7.9449 -7.9118 -7.9118 -7.8738 -7.8738 -7.5723 -7.5723 -6.9879 -6.9879 -0.4005 -0.4005 0.3189 0.3189 1.9287 1.9287 2.0482 2.0482 3.1391 3.1391 3.4153 3.4153 3.5176 3.5176 3.6764 3.6764 4.1117 4.1117 4.2771 4.2771 4.9493 4.9493 5.0200 5.0200 5.1464 5.1464 5.8979 5.8979 9.0497 9.0497 10.3069 10.3069 12.3385 12.3385 12.4810 12.4810 13.5704 13.5704 13.6688 13.6688 k = 0.0000 0.0385 0.2836 ( 4888 PWs) bands (ev): -15.8572 -15.8572 -15.4201 -15.4201 -10.5238 -10.5238 -10.5164 -10.5164 -10.5039 -10.5039 -10.4487 -10.4487 -8.0201 -8.0201 -7.9934 -7.9934 -7.9807 -7.9807 -7.9452 -7.9452 -7.9117 -7.9117 -7.8736 -7.8736 -7.5699 -7.5699 -6.9875 -6.9875 -0.4043 -0.4043 0.3096 0.3096 1.9302 1.9302 2.0497 2.0497 3.1317 3.1317 3.4157 3.4157 3.5165 3.5165 3.6714 3.6714 4.1165 4.1165 4.2819 4.2819 4.9447 4.9447 5.0273 5.0273 5.1527 5.1527 5.8937 5.8937 9.0615 9.0615 10.3086 10.3086 12.3016 12.3016 12.4895 12.4895 13.5383 13.5383 13.6416 13.6416 k = 0.0000 0.0513 0.2836 ( 4876 PWs) bands (ev): -15.8559 -15.8559 -15.4213 -15.4213 -10.5237 -10.5237 -10.5164 -10.5164 -10.5036 -10.5036 -10.4486 -10.4486 -8.0207 -8.0207 -7.9936 -7.9936 -7.9789 -7.9789 -7.9456 -7.9456 -7.9116 -7.9116 -7.8733 -7.8733 -7.5666 -7.5666 -6.9869 -6.9869 -0.4097 -0.4097 0.2968 0.2968 1.9323 1.9323 2.0519 2.0519 3.1219 3.1219 3.4155 3.4155 3.5148 3.5148 3.6644 3.6644 4.1234 4.1234 4.2888 4.2888 4.9399 4.9399 5.0355 5.0355 5.1619 5.1619 5.8878 5.8878 9.0779 9.0779 10.3109 10.3109 12.2571 12.2571 12.4950 12.4950 13.5036 13.5036 13.6052 13.6052 k = 0.0000 0.0641 0.2836 ( 4872 PWs) bands (ev): -15.8542 -15.8542 -15.4229 -15.4229 -10.5236 -10.5236 -10.5163 -10.5163 -10.5033 -10.5033 -10.4485 -10.4485 -8.0213 -8.0213 -7.9938 -7.9938 -7.9770 -7.9770 -7.9461 -7.9461 -7.9115 -7.9115 -7.8729 -7.8729 -7.5623 -7.5623 -6.9862 -6.9862 -0.4165 -0.4165 0.2805 0.2805 1.9350 1.9350 2.0549 2.0549 3.1102 3.1102 3.4144 3.4144 3.5124 3.5124 3.6554 3.6554 4.1324 4.1324 4.2979 4.2979 4.9353 4.9353 5.0437 5.0437 5.1742 5.1742 5.8802 5.8802 9.0987 9.0987 10.3135 10.3135 12.2064 12.2064 12.4967 12.4967 13.4664 13.4664 13.5616 13.5616 k = 0.0000 0.0769 0.2836 ( 4864 PWs) bands (ev): -15.8522 -15.8522 -15.4247 -15.4247 -10.5235 -10.5235 -10.5161 -10.5161 -10.5029 -10.5029 -10.4483 -10.4483 -8.0219 -8.0219 -7.9939 -7.9939 -7.9750 -7.9750 -7.9467 -7.9467 -7.9114 -7.9114 -7.8725 -7.8725 -7.5571 -7.5571 -6.9853 -6.9853 -0.4248 -0.4248 0.2609 0.2609 1.9381 1.9381 2.0588 2.0588 3.0970 3.0970 3.4118 3.4118 3.5088 3.5088 3.6445 3.6445 4.1436 4.1436 4.3093 4.3093 4.9313 4.9313 5.0513 5.0513 5.1899 5.1899 5.8711 5.8711 9.1235 9.1235 10.3163 10.3163 12.1501 12.1501 12.4945 12.4945 13.4262 13.4262 13.5128 13.5128 k = 0.0000 0.0897 0.2836 ( 4868 PWs) bands (ev): -15.8498 -15.8498 -15.4269 -15.4269 -10.5234 -10.5234 -10.5160 -10.5160 -10.5024 -10.5024 -10.4481 -10.4481 -8.0225 -8.0225 -7.9939 -7.9939 -7.9729 -7.9729 -7.9472 -7.9472 -7.9114 -7.9114 -7.8720 -7.8720 -7.5509 -7.5509 -6.9843 -6.9843 -0.4344 -0.4344 0.2381 0.2381 1.9416 1.9416 2.0637 2.0637 3.0826 3.0826 3.4077 3.4077 3.5039 3.5039 3.6318 3.6318 4.1571 4.1571 4.3232 4.3232 4.9279 4.9279 5.0583 5.0583 5.2089 5.2089 5.8604 5.8604 9.1522 9.1522 10.3189 10.3189 12.0892 12.0892 12.4886 12.4886 13.3824 13.3824 13.4610 13.4610 k = 0.0000 0.1026 0.2836 ( 4868 PWs) bands (ev): -15.8470 -15.8470 -15.4294 -15.4294 -10.5233 -10.5233 -10.5159 -10.5159 -10.5019 -10.5019 -10.4479 -10.4479 -8.0231 -8.0231 -7.9938 -7.9938 -7.9709 -7.9709 -7.9477 -7.9477 -7.9113 -7.9113 -7.8715 -7.8715 -7.5438 -7.5438 -6.9833 -6.9833 -0.4453 -0.4453 0.2125 0.2125 1.9455 1.9455 2.0698 2.0698 3.0672 3.0672 3.4018 3.4018 3.4973 3.4973 3.6172 3.6172 4.1726 4.1726 4.3400 4.3400 4.9252 4.9252 5.0644 5.0644 5.2310 5.2310 5.8483 5.8483 9.1843 9.1843 10.3212 10.3212 12.0242 12.0242 12.4791 12.4791 13.3341 13.3341 13.4081 13.4081 k = 0.0000 0.1154 0.2836 ( 4856 PWs) bands (ev): -15.8439 -15.8439 -15.4323 -15.4323 -10.5231 -10.5231 -10.5157 -10.5157 -10.5013 -10.5013 -10.4476 -10.4476 -8.0234 -8.0234 -7.9936 -7.9936 -7.9689 -7.9689 -7.9481 -7.9481 -7.9113 -7.9113 -7.8710 -7.8710 -7.5359 -7.5359 -6.9821 -6.9821 -0.4574 -0.4574 0.1842 0.1842 1.9498 1.9498 2.0770 2.0770 3.0512 3.0512 3.3942 3.3942 3.4889 3.4889 3.6009 3.6009 4.1901 4.1901 4.3596 4.3596 4.9232 4.9232 5.0699 5.0699 5.2560 5.2560 5.8348 5.8348 9.2194 9.2194 10.3228 10.3228 11.9559 11.9559 12.4662 12.4662 13.2806 13.2806 13.3563 13.3563 k = 0.0000 0.1282 0.2836 ( 4850 PWs) bands (ev): -15.8405 -15.8405 -15.4355 -15.4355 -10.5230 -10.5230 -10.5155 -10.5155 -10.5007 -10.5007 -10.4474 -10.4474 -8.0237 -8.0237 -7.9934 -7.9934 -7.9672 -7.9672 -7.9483 -7.9483 -7.9113 -7.9113 -7.8706 -7.8706 -7.5270 -7.5270 -6.9809 -6.9809 -0.4707 -0.4707 0.1535 0.1535 1.9546 1.9546 2.0856 2.0856 3.0347 3.0347 3.3849 3.3849 3.4784 3.4784 3.5830 3.5830 4.2092 4.2092 4.3824 4.3824 4.9218 4.9218 5.0747 5.0747 5.2836 5.2836 5.8201 5.8201 9.2571 9.2571 10.3236 10.3236 11.8852 11.8852 12.4502 12.4502 13.2219 13.2219 13.3065 13.3065 k = 0.0000 0.1410 0.2836 ( 4842 PWs) bands (ev): -15.8367 -15.8367 -15.4390 -15.4390 -10.5228 -10.5228 -10.5153 -10.5153 -10.4999 -10.4999 -10.4471 -10.4471 -8.0238 -8.0238 -7.9931 -7.9931 -7.9657 -7.9657 -7.9482 -7.9482 -7.9114 -7.9114 -7.8701 -7.8701 -7.5173 -7.5173 -6.9798 -6.9798 -0.4850 -0.4850 0.1206 0.1206 1.9597 1.9597 2.0954 2.0954 3.0176 3.0176 3.3739 3.3739 3.4660 3.4660 3.5636 3.5636 4.2297 4.2297 4.4084 4.4084 4.9212 4.9212 5.0791 5.0791 5.3135 5.3135 5.8041 5.8041 9.2968 9.2968 10.3232 10.3232 11.8126 11.8126 12.4312 12.4312 13.1590 13.1590 13.2587 13.2587 k = 0.0000 0.1538 0.2836 ( 4850 PWs) bands (ev): -15.8326 -15.8326 -15.4428 -15.4428 -10.5227 -10.5227 -10.5151 -10.5151 -10.4991 -10.4991 -10.4469 -10.4469 -8.0237 -8.0237 -7.9928 -7.9928 -7.9645 -7.9645 -7.9479 -7.9479 -7.9115 -7.9115 -7.8697 -7.8697 -7.5068 -7.5068 -6.9786 -6.9786 -0.5002 -0.5002 0.0858 0.0858 1.9653 1.9653 2.1066 2.1066 3.0002 3.0002 3.3614 3.3614 3.4518 3.4518 3.5429 3.5429 4.2513 4.2513 4.4376 4.4376 4.9211 4.9211 5.0830 5.0830 5.3453 5.3453 5.7872 5.7872 9.3379 9.3379 10.3215 10.3215 11.7391 11.7391 12.4095 12.4095 13.0932 13.0932 13.2127 13.2127 k = 0.0000 0.1667 0.2836 ( 4846 PWs) bands (ev): -15.8281 -15.8281 -15.4469 -15.4469 -10.5225 -10.5225 -10.5149 -10.5149 -10.4982 -10.4982 -10.4466 -10.4466 -8.0234 -8.0234 -7.9924 -7.9924 -7.9636 -7.9636 -7.9472 -7.9472 -7.9116 -7.9116 -7.8694 -7.8694 -7.4955 -7.4955 -6.9775 -6.9775 -0.5163 -0.5163 0.0492 0.0492 1.9714 1.9714 2.1191 2.1191 2.9823 2.9823 3.3474 3.3474 3.4358 3.4358 3.5211 3.5211 4.2737 4.2737 4.4700 4.4700 4.9216 4.9216 5.0865 5.0865 5.3787 5.3787 5.7693 5.7693 9.3798 9.3798 10.3183 10.3183 11.6654 11.6654 12.3851 12.3851 13.0255 13.0255 13.1684 13.1684 k = 0.0000 0.1795 0.2836 ( 4850 PWs) bands (ev): -15.8234 -15.8234 -15.4513 -15.4513 -10.5223 -10.5223 -10.5147 -10.5147 -10.4973 -10.4973 -10.4463 -10.4463 -8.0230 -8.0230 -7.9921 -7.9921 -7.9631 -7.9631 -7.9462 -7.9462 -7.9118 -7.9118 -7.8691 -7.8691 -7.4834 -7.4834 -6.9766 -6.9766 -0.5330 -0.5330 0.0113 0.0113 1.9781 1.9781 2.1330 2.1330 2.9641 2.9641 3.3320 3.3320 3.4183 3.4183 3.4984 3.4984 4.2968 4.2968 4.5053 4.5053 4.9226 4.9226 5.0896 5.0896 5.4134 5.4134 5.7507 5.7507 9.4216 9.4216 10.3137 10.3137 11.5925 11.5925 12.3584 12.3584 12.9566 12.9566 13.1259 13.1259 k = 0.0000 0.1923 0.2836 ( 4854 PWs) bands (ev): -15.8183 -15.8183 -15.4560 -15.4560 -10.5221 -10.5221 -10.5145 -10.5145 -10.4963 -10.4963 -10.4461 -10.4461 -8.0224 -8.0224 -7.9918 -7.9918 -7.9627 -7.9627 -7.9450 -7.9450 -7.9120 -7.9120 -7.8689 -7.8689 -7.4707 -7.4707 -6.9757 -6.9757 -0.5503 -0.5503 -0.0277 -0.0277 1.9854 1.9854 2.1480 2.1480 2.9454 2.9454 3.3152 3.3152 3.3996 3.3996 3.4749 3.4749 4.3204 4.3204 4.5433 4.5433 4.9241 4.9241 5.0924 5.0924 5.4489 5.4489 5.7317 5.7317 9.4624 9.4624 10.3075 10.3075 11.5210 11.5210 12.3295 12.3295 12.8870 12.8870 13.0853 13.0853 k = 0.0000 0.2051 0.2836 ( 4854 PWs) bands (ev): -15.8129 -15.8129 -15.4610 -15.4610 -10.5219 -10.5219 -10.5144 -10.5144 -10.4951 -10.4951 -10.4458 -10.4458 -8.0216 -8.0216 -7.9914 -7.9914 -7.9624 -7.9624 -7.9437 -7.9437 -7.9122 -7.9122 -7.8689 -7.8689 -7.4572 -7.4572 -6.9751 -6.9751 -0.5680 -0.5680 -0.0677 -0.0677 1.9935 1.9935 2.1643 2.1643 2.9264 2.9264 3.2973 3.2973 3.3798 3.3798 3.4508 3.4508 4.3445 4.3445 4.5837 4.5837 4.9261 4.9261 5.0949 5.0949 5.4848 5.4848 5.7125 5.7125 9.5013 9.5013 10.3000 10.3000 11.4519 11.4519 12.2985 12.2985 12.8172 12.8172 13.0470 13.0470 k = 0.0000 0.2179 0.2836 ( 4858 PWs) bands (ev): -15.8072 -15.8072 -15.4663 -15.4663 -10.5217 -10.5217 -10.5142 -10.5142 -10.4939 -10.4939 -10.4456 -10.4456 -8.0207 -8.0207 -7.9911 -7.9911 -7.9622 -7.9622 -7.9422 -7.9422 -7.9125 -7.9125 -7.8689 -7.8689 -7.4432 -7.4432 -6.9746 -6.9746 -0.5860 -0.5860 -0.1082 -0.1082 2.0024 2.0024 2.1818 2.1818 2.9068 2.9068 3.2782 3.2782 3.3593 3.3593 3.4264 3.4264 4.3691 4.3691 4.6261 4.6261 4.9286 4.9286 5.0969 5.0969 5.5205 5.5205 5.6938 5.6938 9.5372 9.5372 10.2914 10.2914 11.3861 11.3861 12.2658 12.2658 12.7475 12.7475 13.0110 13.0110 k = 0.0000 0.2308 0.2836 ( 4858 PWs) bands (ev): -15.8013 -15.8013 -15.4719 -15.4719 -10.5216 -10.5216 -10.5141 -10.5141 -10.4927 -10.4927 -10.4454 -10.4454 -8.0197 -8.0197 -7.9909 -7.9909 -7.9619 -7.9619 -7.9407 -7.9407 -7.9127 -7.9127 -7.8691 -7.8691 -7.4285 -7.4285 -6.9745 -6.9745 -0.6041 -0.6041 -0.1492 -0.1492 2.0121 2.0121 2.2004 2.2004 2.8868 2.8868 3.2582 3.2582 3.3382 3.3382 3.4017 3.4017 4.3941 4.3941 4.6699 4.6699 4.9315 4.9315 5.0986 5.0986 5.5544 5.5544 5.6768 5.6768 9.5690 9.5690 10.2819 10.2819 11.3245 11.3245 12.2317 12.2317 12.6784 12.6784 12.9775 12.9775 k = 0.0000 0.2436 0.2836 ( 4856 PWs) bands (ev): -15.7951 -15.7951 -15.4777 -15.4777 -10.5214 -10.5214 -10.5140 -10.5140 -10.4913 -10.4913 -10.4453 -10.4453 -8.0186 -8.0186 -7.9907 -7.9907 -7.9614 -7.9614 -7.9392 -7.9392 -7.9130 -7.9130 -7.8694 -7.8694 -7.4134 -7.4134 -6.9746 -6.9746 -0.6223 -0.6223 -0.1902 -0.1902 2.0227 2.0227 2.2200 2.2200 2.8663 2.8663 3.2373 3.2373 3.3167 3.3167 3.3771 3.3771 4.4196 4.4196 4.7148 4.7148 4.9348 4.9348 5.0997 5.0997 5.5826 5.5826 5.6653 5.6653 9.5957 9.5957 10.2716 10.2716 11.2683 11.2683 12.1963 12.1963 12.6102 12.6102 12.9463 12.9463 k = 0.0000 0.2564 0.2836 ( 4862 PWs) bands (ev): -15.7886 -15.7886 -15.4838 -15.4838 -10.5212 -10.5212 -10.5139 -10.5139 -10.4899 -10.4899 -10.4452 -10.4452 -8.0174 -8.0174 -7.9906 -7.9906 -7.9608 -7.9608 -7.9377 -7.9377 -7.9132 -7.9132 -7.8699 -7.8699 -7.3978 -7.3978 -6.9751 -6.9751 -0.6403 -0.6403 -0.2312 -0.2312 2.0342 2.0342 2.2405 2.2405 2.8453 2.8453 3.2157 3.2157 3.2951 3.2951 3.3525 3.3525 4.4454 4.4454 4.7603 4.7603 4.9387 4.9387 5.1005 5.1005 5.5953 5.5953 5.6692 5.6692 9.6164 9.6164 10.2606 10.2606 11.2185 11.2185 12.1601 12.1601 12.5434 12.5434 12.9172 12.9172 k = 0.0000 0.2692 0.2836 ( 4850 PWs) bands (ev): -15.7819 -15.7819 -15.4901 -15.4901 -10.5210 -10.5210 -10.5138 -10.5138 -10.4883 -10.4883 -10.4451 -10.4451 -8.0162 -8.0162 -7.9906 -7.9906 -7.9599 -7.9599 -7.9362 -7.9362 -7.9135 -7.9135 -7.8705 -7.8705 -7.3818 -7.3818 -6.9760 -6.9760 -0.6579 -0.6579 -0.2719 -0.2719 2.0466 2.0466 2.2620 2.2620 2.8238 2.8238 3.1935 3.1935 3.2734 3.2734 3.3280 3.3280 4.4716 4.4716 4.8058 4.8058 4.9431 4.9431 5.1007 5.1007 5.5893 5.5893 5.6915 5.6915 9.6306 9.6306 10.2484 10.2484 11.1762 11.1762 12.1234 12.1234 12.4786 12.4786 12.8901 12.8901 k = 0.0000 0.2821 0.2836 ( 4854 PWs) bands (ev): -15.7750 -15.7750 -15.4966 -15.4966 -10.5208 -10.5208 -10.5138 -10.5138 -10.4868 -10.4868 -10.4451 -10.4451 -8.0149 -8.0149 -7.9907 -7.9907 -7.9588 -7.9588 -7.9349 -7.9349 -7.9138 -7.9138 -7.8713 -7.8713 -7.3655 -7.3655 -6.9773 -6.9773 -0.6752 -0.6752 -0.3121 -0.3121 2.0599 2.0599 2.2844 2.2844 2.8019 2.8019 3.1709 3.1709 3.2519 3.2519 3.3039 3.3039 4.4982 4.4982 4.8503 4.8503 4.9484 4.9484 5.1005 5.1005 5.5758 5.5758 5.7211 5.7211 9.6380 9.6380 10.2344 10.2344 11.1425 11.1425 12.0863 12.0863 12.4164 12.4164 12.8643 12.8643 k = 0.0000 0.2949 0.2836 ( 4846 PWs) bands (ev): -15.7678 -15.7678 -15.5034 -15.5034 -10.5205 -10.5205 -10.5138 -10.5138 -10.4851 -10.4851 -10.4452 -10.4452 -8.0136 -8.0136 -7.9908 -7.9908 -7.9575 -7.9575 -7.9335 -7.9335 -7.9140 -7.9140 -7.8722 -7.8722 -7.3488 -7.3488 -6.9792 -6.9792 -0.6918 -0.6918 -0.3516 -0.3516 2.0742 2.0742 2.3076 2.3076 2.7794 2.7794 3.1479 3.1479 3.2308 3.2308 3.2802 3.2802 4.5250 4.5250 4.8924 4.8924 4.9553 4.9553 5.1000 5.1000 5.5611 5.5611 5.7518 5.7518 9.6392 9.6392 10.2177 10.2177 11.1183 11.1183 12.0489 12.0489 12.3575 12.3575 12.8396 12.8396 k = 0.0000 0.3077 0.2836 ( 4844 PWs) bands (ev): -15.7604 -15.7604 -15.5104 -15.5104 -10.5203 -10.5203 -10.5139 -10.5139 -10.4834 -10.4834 -10.4453 -10.4453 -8.0123 -8.0123 -7.9910 -7.9910 -7.9559 -7.9559 -7.9322 -7.9322 -7.9143 -7.9143 -7.8733 -7.8733 -7.3320 -7.3320 -6.9815 -6.9815 -0.7076 -0.7076 -0.3902 -0.3902 2.0893 2.0893 2.3315 2.3315 2.7566 2.7566 3.1245 3.1245 3.2103 3.2103 3.2569 3.2569 4.5520 4.5520 4.9279 4.9279 4.9669 4.9669 5.0993 5.0993 5.5475 5.5475 5.7816 5.7816 9.6349 9.6349 10.1973 10.1973 11.1038 11.1038 12.0112 12.0112 12.3030 12.3030 12.8155 12.8155 k = 0.0000 0.3205 0.2836 ( 4838 PWs) bands (ev): -15.7528 -15.7528 -15.5177 -15.5177 -10.5201 -10.5201 -10.5139 -10.5139 -10.4817 -10.4817 -10.4455 -10.4455 -8.0110 -8.0110 -7.9913 -7.9913 -7.9541 -7.9541 -7.9310 -7.9310 -7.9145 -7.9145 -7.8745 -7.8745 -7.3150 -7.3150 -6.9843 -6.9843 -0.7226 -0.7226 -0.4277 -0.4277 2.1053 2.1053 2.3560 2.3560 2.7334 2.7334 3.1009 3.1009 3.1905 3.1905 3.2341 3.2341 4.5791 4.5791 4.9491 4.9491 4.9897 4.9897 5.0991 5.0991 5.5361 5.5361 5.8095 5.8095 9.6264 9.6264 10.1725 10.1725 11.0990 11.0990 11.9729 11.9729 12.2538 12.2538 12.7915 12.7915 k = 0.0000 0.3333 0.2836 ( 4842 PWs) bands (ev): -15.7451 -15.7451 -15.5251 -15.5251 -10.5199 -10.5199 -10.5140 -10.5140 -10.4799 -10.4799 -10.4458 -10.4458 -8.0098 -8.0098 -7.9917 -7.9917 -7.9520 -7.9520 -7.9299 -7.9299 -7.9147 -7.9147 -7.8759 -7.8759 -7.2979 -7.2979 -6.9878 -6.9878 -0.7366 -0.7366 -0.4640 -0.4640 2.1222 2.1222 2.3812 2.3812 2.7099 2.7099 3.0771 3.0771 3.1715 3.1715 3.2120 3.2120 4.6063 4.6063 4.9598 4.9598 5.0172 5.0172 5.1007 5.1007 5.5282 5.5282 5.8349 5.8349 9.6149 9.6149 10.1431 10.1431 11.1030 11.1030 11.9339 11.9339 12.2110 12.2110 12.7671 12.7671 k = 0.0000 0.3462 0.2836 ( 4842 PWs) bands (ev): -15.7371 -15.7371 -15.5327 -15.5327 -10.5197 -10.5197 -10.5142 -10.5142 -10.4781 -10.4781 -10.4461 -10.4461 -8.0086 -8.0086 -7.9921 -7.9921 -7.9498 -7.9498 -7.9289 -7.9289 -7.9149 -7.9149 -7.8774 -7.8774 -7.2808 -7.2808 -6.9918 -6.9918 -0.7494 -0.7494 -0.4989 -0.4989 2.1399 2.1399 2.4070 2.4070 2.6861 2.6861 3.0531 3.0531 3.1535 3.1535 3.1906 3.1906 4.6334 4.6334 4.9678 4.9678 5.0379 5.0379 5.1066 5.1066 5.5250 5.5250 5.8575 5.8575 9.6018 9.6018 10.1094 10.1094 11.1147 11.1147 11.8937 11.8937 12.1759 12.1759 12.7420 12.7420 k = 0.0000 0.3590 0.2836 ( 4858 PWs) bands (ev): -15.7291 -15.7291 -15.5405 -15.5405 -10.5195 -10.5195 -10.5143 -10.5143 -10.4763 -10.4763 -10.4466 -10.4466 -8.0076 -8.0076 -7.9926 -7.9926 -7.9474 -7.9474 -7.9279 -7.9279 -7.9150 -7.9150 -7.8792 -7.8792 -7.2637 -7.2637 -6.9965 -6.9965 -0.7609 -0.7609 -0.5324 -0.5324 2.1583 2.1583 2.4332 2.4332 2.6622 2.6622 3.0289 3.0289 3.1365 3.1365 3.1701 3.1701 4.6604 4.6604 4.9753 4.9753 5.0474 5.0474 5.1178 5.1178 5.5275 5.5275 5.8767 5.8767 9.5884 9.5884 10.0719 10.0719 11.1324 11.1324 11.8523 11.8523 12.1490 12.1490 12.7158 12.7158 k = 0.0000 0.3718 0.2836 ( 4862 PWs) bands (ev): -15.7209 -15.7209 -15.5484 -15.5484 -10.5193 -10.5193 -10.5145 -10.5145 -10.4745 -10.4745 -10.4471 -10.4471 -8.0065 -8.0065 -7.9931 -7.9931 -7.9448 -7.9448 -7.9270 -7.9270 -7.9151 -7.9151 -7.8810 -7.8810 -7.2467 -7.2467 -7.0019 -7.0019 -0.7710 -0.7710 -0.5641 -0.5641 2.1774 2.1774 2.4598 2.4598 2.6382 2.6382 3.0044 3.0044 3.1208 3.1208 3.1507 3.1507 4.6872 4.6872 4.9829 4.9829 5.0479 5.0479 5.1306 5.1306 5.5365 5.5365 5.8923 5.8923 9.5757 9.5757 10.0314 10.0314 11.1545 11.1545 11.8100 11.8100 12.1309 12.1309 12.6881 12.6881 k = 0.0000 0.3846 0.2836 ( 4870 PWs) bands (ev): -15.7125 -15.7125 -15.5565 -15.5565 -10.5190 -10.5190 -10.5147 -10.5147 -10.4727 -10.4727 -10.4478 -10.4478 -8.0055 -8.0055 -7.9936 -7.9936 -7.9422 -7.9422 -7.9262 -7.9262 -7.9152 -7.9152 -7.8830 -7.8830 -7.2299 -7.2299 -7.0080 -7.0080 -0.7796 -0.7796 -0.5941 -0.5941 2.1972 2.1972 2.4867 2.4867 2.6142 2.6142 2.9797 2.9797 3.1063 3.1063 3.1325 3.1325 4.7136 4.7136 4.9908 4.9908 5.0436 5.0436 5.1404 5.1404 5.5523 5.5523 5.9040 5.9040 9.5649 9.5649 9.9889 9.9889 11.1796 11.1796 11.7672 11.7672 12.1214 12.1214 12.6588 12.6588 k = 0.0000 0.3974 0.2836 ( 4870 PWs) bands (ev): -15.7040 -15.7040 -15.5647 -15.5647 -10.5188 -10.5188 -10.5149 -10.5149 -10.4708 -10.4708 -10.4485 -10.4485 -8.0046 -8.0046 -7.9942 -7.9942 -7.9395 -7.9395 -7.9255 -7.9255 -7.9151 -7.9151 -7.8852 -7.8852 -7.2133 -7.2133 -7.0147 -7.0147 -0.7865 -0.7865 -0.6223 -0.6223 2.2176 2.2176 2.5137 2.5137 2.5905 2.5905 2.9546 2.9546 3.0931 3.0931 3.1157 3.1157 4.7397 4.7397 4.9990 4.9990 5.0364 5.0364 5.1455 5.1455 5.5742 5.5742 5.9116 5.9116 9.5567 9.5567 9.9451 9.9451 11.2064 11.2064 11.7245 11.7245 12.1203 12.1203 12.6278 12.6278 k = 0.0000 0.4103 0.2836 ( 4870 PWs) bands (ev): -15.6955 -15.6955 -15.5731 -15.5731 -10.5186 -10.5186 -10.5151 -10.5151 -10.4690 -10.4690 -10.4493 -10.4493 -8.0037 -8.0037 -7.9947 -7.9947 -7.9368 -7.9368 -7.9248 -7.9248 -7.9149 -7.9149 -7.8874 -7.8874 -7.1969 -7.1969 -7.0222 -7.0222 -0.7917 -0.7917 -0.6485 -0.6485 2.2386 2.2386 2.5386 2.5386 2.5690 2.5690 2.9292 2.9292 3.0814 3.0814 3.1004 3.1004 4.7652 4.7652 5.0073 5.0073 5.0276 5.0276 5.1458 5.1458 5.6011 5.6011 5.9149 5.9149 9.5519 9.5519 9.9010 9.9010 11.2340 11.2340 11.6824 11.6824 12.1271 12.1271 12.5949 12.5949 k = 0.0000 0.4231 0.2836 ( 4878 PWs) bands (ev): -15.6868 -15.6868 -15.5815 -15.5815 -10.5183 -10.5183 -10.5153 -10.5153 -10.4672 -10.4672 -10.4502 -10.4502 -8.0029 -8.0029 -7.9953 -7.9953 -7.9342 -7.9342 -7.9243 -7.9243 -7.9145 -7.9145 -7.8898 -7.8898 -7.1809 -7.1809 -7.0304 -7.0304 -0.7951 -0.7951 -0.6727 -0.6727 2.2600 2.2600 2.5371 2.5371 2.5743 2.5743 2.9034 2.9034 3.0711 3.0711 3.0869 3.0869 4.7901 4.7901 5.0119 5.0119 5.0213 5.0213 5.1421 5.1421 5.6315 5.6315 5.9138 5.9138 9.5508 9.5508 9.8572 9.8572 11.2617 11.2617 11.6414 11.6414 12.1411 12.1411 12.5602 12.5602 k = 0.0000 0.4359 0.2836 ( 4878 PWs) bands (ev): -15.6781 -15.6781 -15.5901 -15.5901 -10.5181 -10.5181 -10.5155 -10.5155 -10.4655 -10.4655 -10.4512 -10.4512 -8.0021 -8.0021 -7.9958 -7.9958 -7.9318 -7.9318 -7.9239 -7.9239 -7.9139 -7.9139 -7.8923 -7.8923 -7.1653 -7.1653 -7.0393 -7.0393 -0.7965 -0.7965 -0.6948 -0.6948 2.2819 2.2819 2.5148 2.5148 2.6005 2.6005 2.8772 2.8772 3.0624 3.0624 3.0751 3.0751 4.8144 4.8144 5.0023 5.0023 5.0282 5.0282 5.1355 5.1355 5.6640 5.6640 5.9084 5.9084 9.5540 9.5540 9.8145 9.8145 11.2894 11.2894 11.6019 11.6019 12.1614 12.1614 12.5238 12.5238 k = 0.0000 0.4487 0.2836 ( 4874 PWs) bands (ev): -15.6693 -15.6693 -15.5987 -15.5987 -10.5178 -10.5178 -10.5158 -10.5158 -10.4637 -10.4637 -10.4523 -10.4523 -8.0013 -8.0013 -7.9964 -7.9964 -7.9297 -7.9297 -7.9236 -7.9236 -7.9129 -7.9129 -7.8949 -7.8949 -7.1501 -7.1501 -7.0490 -7.0490 -0.7960 -0.7960 -0.7148 -0.7148 2.3042 2.3042 2.4912 2.4912 2.6283 2.6283 2.8506 2.8506 3.0554 3.0554 3.0652 3.0652 4.8378 4.8378 4.9890 4.9890 5.0380 5.0380 5.1267 5.1267 5.6973 5.6973 5.8987 5.8987 9.5616 9.5616 9.7735 9.7735 11.3169 11.3169 11.5641 11.5641 12.1873 12.1873 12.4860 12.4860 k = 0.0000 0.4615 0.2836 ( 4874 PWs) bands (ev): -15.6605 -15.6605 -15.6075 -15.6075 -10.5175 -10.5175 -10.5160 -10.5160 -10.4621 -10.4621 -10.4534 -10.4534 -8.0006 -8.0006 -7.9969 -7.9969 -7.9279 -7.9279 -7.9236 -7.9236 -7.9115 -7.9115 -7.8975 -7.8975 -7.1354 -7.1354 -7.0593 -7.0593 -0.7934 -0.7934 -0.7326 -0.7326 2.3268 2.3268 2.4673 2.4673 2.6564 2.6564 2.8236 2.8236 3.0500 3.0500 3.0572 3.0572 4.8604 4.8604 4.9742 4.9742 5.0486 5.0486 5.1166 5.1166 5.7304 5.7304 5.8848 5.8848 9.5737 9.5737 9.7347 9.7347 11.3445 11.3445 11.5281 11.5281 12.2178 12.2178 12.4470 12.4470 k = 0.0000 0.4744 0.2836 ( 4872 PWs) bands (ev): -15.6516 -15.6516 -15.6162 -15.6162 -10.5173 -10.5173 -10.5163 -10.5163 -10.4605 -10.4605 -10.4547 -10.4547 -8.0000 -8.0000 -7.9975 -7.9975 -7.9264 -7.9264 -7.9237 -7.9237 -7.9097 -7.9097 -7.9001 -7.9001 -7.1212 -7.1212 -7.0704 -7.0704 -0.7887 -0.7887 -0.7483 -0.7483 2.3497 2.3497 2.4435 2.4435 2.6846 2.6846 2.7963 2.7963 3.0465 3.0465 3.0511 3.0511 4.8821 4.8821 4.9581 4.9581 5.0595 5.0595 5.1056 5.1056 5.7624 5.7624 5.8669 5.8669 9.5903 9.5903 9.6987 9.6987 11.3724 11.3724 11.4939 11.4939 12.2520 12.2520 12.4072 12.4072 k = 0.0000 0.4872 0.2836 ( 4880 PWs) bands (ev): -15.6428 -15.6428 -15.6251 -15.6251 -10.5170 -10.5170 -10.5165 -10.5165 -10.4589 -10.4589 -10.4560 -10.4560 -7.9993 -7.9993 -7.9981 -7.9981 -7.9253 -7.9253 -7.9240 -7.9240 -7.9076 -7.9076 -7.9027 -7.9027 -7.1075 -7.1075 -7.0821 -7.0821 -0.7819 -0.7819 -0.7617 -0.7617 2.3729 2.3729 2.4198 2.4198 2.7128 2.7128 2.7687 2.7687 3.0448 3.0448 3.0471 3.0471 4.9027 4.9027 4.9408 4.9408 5.0709 5.0709 5.0941 5.0941 5.7926 5.7926 5.8453 5.8453 9.6114 9.6114 9.6659 9.6659 11.4009 11.4009 11.4614 11.4614 12.2888 12.2888 12.3671 12.3671 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5168 -10.5168 -10.5168 -10.5168 -10.4574 -10.4574 -10.4574 -10.4574 -7.9987 -7.9987 -7.9987 -7.9987 -7.9245 -7.9245 -7.9245 -7.9245 -7.9053 -7.9053 -7.9053 -7.9053 -7.0945 -7.0945 -7.0945 -7.0945 -0.7729 -0.7729 -0.7729 -0.7729 2.3963 2.3963 2.3963 2.3963 2.7408 2.7408 2.7408 2.7408 3.0450 3.0450 3.0450 3.0450 4.9223 4.9223 4.9223 4.9223 5.0825 5.0825 5.0825 5.0825 5.8204 5.8204 5.8204 5.8204 9.6366 9.6366 9.6366 9.6366 11.4305 11.4305 11.4305 11.4305 12.3274 12.3274 12.3274 12.3274 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5168 -10.5168 -10.5168 -10.5168 -10.4574 -10.4574 -10.4574 -10.4574 -7.9987 -7.9987 -7.9987 -7.9987 -7.9245 -7.9245 -7.9245 -7.9245 -7.9053 -7.9053 -7.9053 -7.9053 -7.0945 -7.0945 -7.0945 -7.0945 -0.7729 -0.7729 -0.7729 -0.7729 2.3963 2.3963 2.3963 2.3963 2.7408 2.7408 2.7408 2.7408 3.0450 3.0450 3.0450 3.0450 4.9223 4.9223 4.9223 4.9223 5.0825 5.0825 5.0825 5.0825 5.8204 5.8204 5.8204 5.8204 9.6366 9.6366 9.6366 9.6366 11.4305 11.4305 11.4305 11.4305 12.3274 12.3274 12.3274 12.3274 k = 0.0128 0.5000 0.2836 ( 4876 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5167 -10.5167 -10.5167 -10.5167 -10.4584 -10.4584 -10.4565 -10.4565 -8.0007 -8.0007 -7.9967 -7.9967 -7.9251 -7.9251 -7.9250 -7.9250 -7.9059 -7.9059 -7.9038 -7.9038 -7.0963 -7.0963 -7.0919 -7.0919 -0.7728 -0.7728 -0.7727 -0.7727 2.3899 2.3899 2.3973 2.3973 2.7336 2.7336 2.7501 2.7501 3.0387 3.0387 3.0553 3.0553 4.9186 4.9186 4.9198 4.9198 5.0818 5.0818 5.0822 5.0822 5.8199 5.8199 5.8200 5.8200 9.6122 9.6122 9.6613 9.6613 11.4181 11.4181 11.4464 11.4464 12.2877 12.2877 12.3726 12.3726 k = 0.0256 0.5000 0.2836 ( 4880 PWs) bands (ev): -15.6339 -15.6339 -15.6338 -15.6338 -10.5167 -10.5167 -10.5166 -10.5166 -10.4594 -10.4594 -10.4556 -10.4556 -8.0027 -8.0027 -7.9948 -7.9948 -7.9266 -7.9266 -7.9263 -7.9263 -7.9057 -7.9057 -7.9016 -7.9016 -7.0972 -7.0972 -7.0884 -7.0884 -0.7723 -0.7723 -0.7721 -0.7721 2.3784 2.3784 2.3933 2.3933 2.7289 2.7289 2.7609 2.7609 3.0370 3.0370 3.0693 3.0693 4.9089 4.9089 4.9111 4.9111 5.0803 5.0803 5.0811 5.0811 5.8182 5.8182 5.8184 5.8184 9.5881 9.5881 9.6861 9.6861 11.4100 11.4100 11.4647 11.4647 12.2545 12.2545 12.4221 12.4221 k = 0.0385 0.5000 0.2836 ( 4884 PWs) bands (ev): -15.6338 -15.6338 -15.6337 -15.6337 -10.5165 -10.5165 -10.5165 -10.5165 -10.4603 -10.4603 -10.4547 -10.4547 -8.0048 -8.0048 -7.9929 -7.9929 -7.9289 -7.9289 -7.9282 -7.9282 -7.9050 -7.9050 -7.8989 -7.8989 -7.0972 -7.0972 -7.0842 -7.0842 -0.7715 -0.7715 -0.7712 -0.7712 2.3623 2.3623 2.3847 2.3847 2.7268 2.7268 2.7724 2.7724 3.0401 3.0401 3.0863 3.0863 4.8933 4.8933 4.8965 4.8965 5.0782 5.0782 5.0793 5.0793 5.8150 5.8150 5.8155 5.8155 9.5647 9.5647 9.7111 9.7111 11.4071 11.4071 11.4841 11.4841 12.2290 12.2290 12.4748 12.4748 k = 0.0513 0.5000 0.2836 ( 4884 PWs) bands (ev): -15.6336 -15.6336 -15.6336 -15.6336 -10.5163 -10.5163 -10.5163 -10.5163 -10.4613 -10.4613 -10.4539 -10.4539 -8.0070 -8.0070 -7.9909 -7.9909 -7.9317 -7.9317 -7.9304 -7.9304 -7.9041 -7.9041 -7.8960 -7.8960 -7.0964 -7.0964 -7.0792 -7.0792 -0.7703 -0.7703 -0.7700 -0.7700 2.3422 2.3422 2.3721 2.3721 2.7271 2.7271 2.7838 2.7838 3.0481 3.0481 3.1058 3.1058 4.8722 4.8722 4.8761 4.8761 5.0756 5.0756 5.0768 5.0768 5.8099 5.8099 5.8109 5.8109 9.5423 9.5423 9.7363 9.7363 11.4096 11.4096 11.5033 11.5033 12.2123 12.2123 12.5297 12.5297 k = 0.0641 0.5000 0.2836 ( 4880 PWs) bands (ev): -15.6335 -15.6335 -15.6334 -15.6334 -10.5161 -10.5161 -10.5160 -10.5160 -10.4623 -10.4623 -10.4531 -10.4531 -8.0093 -8.0093 -7.9890 -7.9890 -7.9349 -7.9349 -7.9326 -7.9326 -7.9031 -7.9031 -7.8929 -7.8929 -7.0947 -7.0947 -7.0735 -7.0735 -0.7688 -0.7688 -0.7684 -0.7684 2.3189 2.3189 2.3562 2.3562 2.7295 2.7295 2.7948 2.7948 3.0608 3.0608 3.1275 3.1275 4.8460 4.8460 4.8505 4.8505 5.0726 5.0726 5.0738 5.0738 5.8024 5.8024 5.8041 5.8041 9.5213 9.5213 9.7617 9.7617 11.4179 11.4179 11.5212 11.5212 12.2052 12.2052 12.5861 12.5861 k = 0.0769 0.5000 0.2836 ( 4888 PWs) bands (ev): -15.6333 -15.6333 -15.6332 -15.6332 -10.5158 -10.5158 -10.5157 -10.5157 -10.4633 -10.4633 -10.4523 -10.4523 -8.0117 -8.0117 -7.9870 -7.9870 -7.9384 -7.9384 -7.9347 -7.9347 -7.9022 -7.9022 -7.8898 -7.8898 -7.0921 -7.0921 -7.0672 -7.0672 -0.7671 -0.7671 -0.7666 -0.7666 2.2933 2.2933 2.3376 2.3376 2.7336 2.7336 2.8051 2.8051 3.0777 3.0777 3.1508 3.1508 4.8153 4.8153 4.8201 4.8201 5.0694 5.0694 5.0704 5.0704 5.7920 5.7920 5.7947 5.7947 9.5021 9.5021 9.7875 9.7875 11.4321 11.4321 11.5369 11.5369 12.2081 12.2081 12.6429 12.6429 k = 0.0897 0.5000 0.2836 ( 4888 PWs) bands (ev): -15.6331 -15.6331 -15.6329 -15.6329 -10.5155 -10.5155 -10.5153 -10.5153 -10.4642 -10.4642 -10.4517 -10.4517 -8.0143 -8.0143 -7.9851 -7.9851 -7.9422 -7.9422 -7.9367 -7.9367 -7.9013 -7.9013 -7.8867 -7.8867 -7.0887 -7.0887 -7.0602 -7.0602 -0.7651 -0.7651 -0.7645 -0.7645 2.2661 2.2661 2.3170 2.3170 2.7392 2.7392 2.8149 2.8149 3.0981 3.0981 3.1753 3.1753 4.7808 4.7808 4.7858 4.7858 5.0658 5.0658 5.0666 5.0666 5.7780 5.7780 5.7821 5.7821 9.4852 9.4852 9.8138 9.8138 11.4521 11.4521 11.5500 11.5500 12.2209 12.2209 12.6995 12.6995 k = 0.1026 0.5000 0.2836 ( 4880 PWs) bands (ev): -15.6328 -15.6328 -15.6326 -15.6326 -10.5151 -10.5151 -10.5149 -10.5149 -10.4651 -10.4651 -10.4510 -10.4510 -8.0169 -8.0169 -7.9832 -7.9832 -7.9462 -7.9462 -7.9383 -7.9383 -7.9005 -7.9005 -7.8837 -7.8837 -7.0844 -7.0844 -7.0527 -7.0527 -0.7628 -0.7628 -0.7622 -0.7622 2.2378 2.2378 2.2948 2.2948 2.7461 2.7461 2.8243 2.8243 3.1214 3.1214 3.2008 3.2008 4.7430 4.7430 4.7482 4.7482 5.0619 5.0619 5.0624 5.0624 5.7599 5.7599 5.7660 5.7660 9.4710 9.4710 9.8408 9.8408 11.4776 11.4776 11.5608 11.5608 12.2429 12.2429 12.7550 12.7550 k = 0.1154 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6325 -15.6325 -15.6323 -15.6323 -10.5146 -10.5146 -10.5145 -10.5145 -10.4660 -10.4660 -10.4504 -10.4504 -8.0197 -8.0197 -7.9814 -7.9814 -7.9503 -7.9503 -7.9396 -7.9396 -7.8998 -7.8998 -7.8808 -7.8808 -7.0794 -7.0794 -7.0446 -7.0446 -0.7603 -0.7603 -0.7597 -0.7597 2.2089 2.2089 2.2714 2.2714 2.7541 2.7541 2.8338 2.8338 3.1466 3.1466 3.2269 3.2269 4.7027 4.7027 4.7080 4.7080 5.0578 5.0578 5.0579 5.0579 5.7375 5.7375 5.7459 5.7459 9.4601 9.4601 9.8686 9.8686 11.5083 11.5083 11.5696 11.5696 12.2727 12.2727 12.8088 12.8088 k = 0.1282 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6322 -15.6322 -15.6320 -15.6320 -10.5142 -10.5142 -10.5140 -10.5140 -10.4668 -10.4668 -10.4499 -10.4499 -8.0227 -8.0227 -7.9797 -7.9797 -7.9544 -7.9544 -7.9406 -7.9406 -7.8993 -7.8993 -7.8780 -7.8780 -7.0736 -7.0736 -7.0362 -7.0362 -0.7577 -0.7577 -0.7571 -0.7571 2.1799 2.1799 2.2473 2.2473 2.7631 2.7631 2.8435 2.8435 3.1734 3.1734 3.2533 3.2533 4.6605 4.6605 4.6658 4.6658 5.0531 5.0531 5.0533 5.0533 5.7103 5.7103 5.7216 5.7216 9.4528 9.4528 9.8974 9.8974 11.5438 11.5438 11.5773 11.5773 12.3091 12.3091 12.8602 12.8602 k = 0.1410 0.5000 0.2836 ( 4876 PWs) bands (ev): -15.6318 -15.6318 -15.6316 -15.6316 -10.5137 -10.5137 -10.5135 -10.5135 -10.4676 -10.4676 -10.4494 -10.4494 -8.0257 -8.0257 -7.9784 -7.9784 -7.9583 -7.9583 -7.9412 -7.9412 -7.8988 -7.8988 -7.8753 -7.8753 -7.0672 -7.0672 -7.0273 -7.0273 -0.7549 -0.7549 -0.7543 -0.7543 2.1509 2.1509 2.2227 2.2227 2.7730 2.7730 2.8536 2.8536 3.2011 3.2011 3.2798 3.2798 4.6170 4.6170 4.6222 4.6222 5.0478 5.0478 5.0485 5.0485 5.6781 5.6781 5.6929 5.6929 9.4493 9.4493 9.9271 9.9271 11.5835 11.5835 11.5844 11.5844 12.3505 12.3505 12.9088 12.9088 k = 0.1538 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6315 -15.6315 -15.6312 -15.6312 -10.5132 -10.5132 -10.5130 -10.5130 -10.4682 -10.4682 -10.4490 -10.4490 -8.0288 -8.0288 -7.9778 -7.9778 -7.9617 -7.9617 -7.9415 -7.9415 -7.8985 -7.8985 -7.8728 -7.8728 -7.0601 -7.0601 -7.0181 -7.0181 -0.7521 -0.7521 -0.7514 -0.7514 2.1225 2.1225 2.1979 2.1979 2.7838 2.7838 2.8644 2.8644 3.2292 3.2292 3.3063 3.3063 4.5727 4.5727 4.5779 4.5779 5.0421 5.0421 5.0433 5.0433 5.6409 5.6409 5.6597 5.6597 9.4501 9.4501 9.9580 9.9580 11.5916 11.5916 11.6269 11.6269 12.3954 12.3954 12.9539 12.9539 k = 0.1667 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6311 -15.6311 -15.6308 -15.6308 -10.5127 -10.5127 -10.5125 -10.5125 -10.4688 -10.4688 -10.4487 -10.4487 -8.0320 -8.0320 -7.9786 -7.9786 -7.9637 -7.9637 -7.9415 -7.9415 -7.8982 -7.8982 -7.8704 -7.8704 -7.0524 -7.0524 -7.0087 -7.0087 -0.7491 -0.7491 -0.7485 -0.7485 2.0946 2.0946 2.1731 2.1731 2.7955 2.7955 2.8759 2.8759 3.2576 3.2576 3.3326 3.3326 4.5280 4.5280 4.5331 4.5331 5.0361 5.0361 5.0378 5.0378 5.5988 5.5988 5.6221 5.6221 9.4551 9.4551 9.9900 9.9900 11.5992 11.5992 11.6734 11.6734 12.4428 12.4428 12.9952 12.9952 k = 0.1795 0.5000 0.2836 ( 4864 PWs) bands (ev): -15.6307 -15.6307 -15.6304 -15.6304 -10.5122 -10.5122 -10.5120 -10.5120 -10.4694 -10.4694 -10.4484 -10.4484 -8.0353 -8.0353 -7.9811 -7.9811 -7.9641 -7.9641 -7.9412 -7.9412 -7.8980 -7.8980 -7.8682 -7.8682 -7.0441 -7.0441 -6.9990 -6.9990 -0.7462 -0.7462 -0.7456 -0.7456 2.0676 2.0676 2.1486 2.1486 2.8081 2.8081 2.8883 2.8883 3.2858 3.2858 3.3585 3.3585 4.4835 4.4835 4.4886 4.4886 5.0296 5.0296 5.0319 5.0319 5.5517 5.5517 5.5800 5.5800 9.4646 9.4646 10.0232 10.0232 11.6074 11.6074 11.7222 11.7222 12.4913 12.4913 13.0323 13.0323 k = 0.1923 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6302 -15.6302 -15.6300 -15.6300 -10.5116 -10.5116 -10.5115 -10.5115 -10.4697 -10.4697 -10.4481 -10.4481 -8.0385 -8.0385 -7.9848 -7.9848 -7.9633 -7.9633 -7.9406 -7.9406 -7.8979 -7.8979 -7.8662 -7.8662 -7.0354 -7.0354 -6.9892 -6.9892 -0.7433 -0.7433 -0.7427 -0.7427 2.0415 2.0415 2.1244 2.1244 2.8216 2.8216 2.9016 2.9016 3.3137 3.3137 3.3839 3.3839 4.4395 4.4395 4.4445 4.4445 5.0226 5.0226 5.0257 5.0257 5.5001 5.5001 5.5338 5.5338 9.4784 9.4784 10.0575 10.0575 11.6164 11.6164 11.7727 11.7727 12.5403 12.5403 13.0649 13.0649 k = 0.2051 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6298 -15.6298 -15.6295 -15.6295 -10.5111 -10.5111 -10.5110 -10.5110 -10.4701 -10.4701 -10.4479 -10.4479 -8.0417 -8.0417 -7.9893 -7.9893 -7.9618 -7.9618 -7.9397 -7.9397 -7.8978 -7.8978 -7.8643 -7.8643 -7.0263 -7.0263 -6.9794 -6.9794 -0.7404 -0.7404 -0.7399 -0.7399 2.0165 2.0165 2.1007 2.1007 2.8360 2.8360 2.9160 2.9160 3.3411 3.3411 3.4087 3.4087 4.3964 4.3964 4.4014 4.4014 5.0152 5.0152 5.0190 5.0190 5.4441 5.4441 5.4836 5.4836 9.4965 9.4965 10.0930 10.0930 11.6259 11.6259 11.8241 11.8241 12.5888 12.5888 13.0928 13.0928 k = 0.2179 0.5000 0.2836 ( 4856 PWs) bands (ev): -15.6293 -15.6293 -15.6291 -15.6291 -10.5106 -10.5106 -10.5106 -10.5106 -10.4703 -10.4703 -10.4478 -10.4478 -8.0449 -8.0449 -7.9941 -7.9941 -7.9601 -7.9601 -7.9386 -7.9386 -7.8978 -7.8978 -7.8627 -7.8627 -7.0169 -7.0169 -6.9695 -6.9695 -0.7377 -0.7377 -0.7372 -0.7372 1.9927 1.9927 2.0777 2.0777 2.8514 2.8514 2.9314 2.9314 3.3679 3.3679 3.4328 3.4328 4.3544 4.3544 4.3595 4.3595 5.0073 5.0073 5.0120 5.0120 5.3842 5.3842 5.4298 5.4298 9.5187 9.5187 10.1294 10.1294 11.6359 11.6359 11.8757 11.8757 12.6362 12.6362 13.1160 13.1160 k = 0.2308 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6289 -15.6289 -15.6286 -15.6286 -10.5102 -10.5102 -10.5100 -10.5100 -10.4703 -10.4703 -10.4477 -10.4477 -8.0480 -8.0480 -7.9990 -7.9990 -7.9582 -7.9582 -7.9373 -7.9373 -7.8978 -7.8978 -7.8612 -7.8612 -7.0072 -7.0072 -6.9597 -6.9597 -0.7350 -0.7350 -0.7347 -0.7347 1.9700 1.9700 2.0553 2.0553 2.8679 2.8679 2.9480 2.9480 3.3939 3.3939 3.4561 3.4561 4.3139 4.3139 4.3190 4.3190 4.9987 4.9987 5.0045 5.0045 5.3208 5.3208 5.3727 5.3727 9.5449 9.5449 10.1666 10.1666 11.6462 11.6462 11.9268 11.9268 12.6820 12.6820 13.1344 13.1344 k = 0.2436 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6284 -15.6284 -15.6281 -15.6281 -10.5098 -10.5098 -10.5096 -10.5096 -10.4703 -10.4703 -10.4477 -10.4477 -8.0510 -8.0510 -8.0039 -8.0039 -7.9562 -7.9562 -7.9358 -7.9358 -7.8978 -7.8978 -7.8598 -7.8598 -6.9973 -6.9973 -6.9499 -6.9499 -0.7325 -0.7325 -0.7323 -0.7323 1.9487 1.9487 2.0336 2.0336 2.8854 2.8854 2.9659 2.9659 3.4190 3.4190 3.4785 3.4785 4.2751 4.2751 4.2803 4.2803 4.9893 4.9893 4.9965 4.9965 5.2545 5.2545 5.3130 5.3130 9.5748 9.5748 10.2045 10.2045 11.6566 11.6566 11.9767 11.9767 12.7256 12.7256 13.1480 13.1480 k = 0.2564 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6279 -15.6279 -15.6277 -15.6277 -10.5095 -10.5095 -10.5091 -10.5091 -10.4701 -10.4701 -10.4477 -10.4477 -8.0538 -8.0538 -8.0088 -8.0088 -7.9542 -7.9542 -7.9342 -7.9342 -7.8978 -7.8978 -7.8587 -7.8587 -6.9872 -6.9872 -6.9404 -6.9404 -0.7302 -0.7302 -0.7301 -0.7301 1.9286 1.9286 2.0127 2.0127 2.9041 2.9041 2.9850 2.9850 3.4432 3.4432 3.5000 3.5000 4.2382 4.2382 4.2435 4.2435 4.9789 4.9789 4.9876 4.9876 5.1861 5.1861 5.2513 5.2513 9.6082 9.6082 10.2428 10.2428 11.6670 11.6670 12.0246 12.0246 12.7665 12.7665 13.1571 13.1571 k = 0.2692 0.5000 0.2836 ( 4864 PWs) bands (ev): -15.6275 -15.6275 -15.6272 -15.6272 -10.5092 -10.5092 -10.5087 -10.5087 -10.4698 -10.4698 -10.4478 -10.4478 -8.0566 -8.0566 -8.0137 -8.0137 -7.9523 -7.9523 -7.9326 -7.9326 -7.8977 -7.8977 -7.8577 -7.8577 -6.9771 -6.9771 -6.9310 -6.9310 -0.7281 -0.7281 -0.7280 -0.7280 1.9099 1.9099 1.9926 1.9926 2.9241 2.9241 3.0055 3.0055 3.4664 3.4664 3.5206 3.5206 4.2032 4.2032 4.2088 4.2088 4.9666 4.9666 4.9769 4.9769 5.1168 5.1168 5.1888 5.1888 9.6447 9.6447 10.2811 10.2811 11.6772 11.6772 12.0699 12.0699 12.8045 12.8045 13.1618 13.1618 k = 0.2821 0.5000 0.2836 ( 4864 PWs) bands (ev): -15.6270 -15.6270 -15.6267 -15.6267 -10.5089 -10.5089 -10.5083 -10.5083 -10.4695 -10.4695 -10.4479 -10.4479 -8.0592 -8.0592 -8.0186 -8.0186 -7.9503 -7.9503 -7.9309 -7.9309 -7.8975 -7.8975 -7.8570 -7.8570 -6.9669 -6.9669 -6.9219 -6.9219 -0.7262 -0.7262 -0.7262 -0.7262 1.8924 1.8924 1.9733 1.9733 2.9453 2.9453 3.0274 3.0274 3.4886 3.4886 3.5402 3.5402 4.1705 4.1705 4.1762 4.1762 4.9509 4.9509 4.9610 4.9610 5.0508 5.0508 5.1273 5.1273 9.6840 9.6840 10.3192 10.3192 11.6873 11.6873 12.1118 12.1118 12.8393 12.8393 13.1624 13.1624 k = 0.2949 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6265 -15.6265 -15.6263 -15.6263 -10.5087 -10.5087 -10.5079 -10.5079 -10.4690 -10.4690 -10.4481 -10.4481 -8.0616 -8.0616 -8.0233 -8.0233 -7.9484 -7.9484 -7.9292 -7.9292 -7.8972 -7.8972 -7.8564 -7.8564 -6.9569 -6.9569 -6.9132 -6.9132 -0.7247 -0.7247 -0.7245 -0.7245 1.8763 1.8763 1.9549 1.9549 2.9680 2.9680 3.0508 3.0508 3.5098 3.5098 3.5587 3.5587 4.1400 4.1400 4.1459 4.1459 4.9269 4.9269 4.9286 4.9286 5.0015 5.0015 5.0707 5.0707 9.7259 9.7259 10.3565 10.3565 11.6973 11.6973 12.1499 12.1499 12.8707 12.8707 13.1593 13.1593 k = 0.3077 0.5000 0.2836 ( 4860 PWs) bands (ev): -15.6261 -15.6261 -15.6258 -15.6258 -10.5085 -10.5085 -10.5076 -10.5076 -10.4684 -10.4684 -10.4483 -10.4483 -8.0639 -8.0639 -8.0278 -8.0278 -7.9465 -7.9465 -7.9276 -7.9276 -7.8968 -7.8968 -7.8559 -7.8559 -6.9469 -6.9469 -6.9048 -6.9048 -0.7233 -0.7233 -0.7231 -0.7231 1.8615 1.8615 1.9373 1.9373 2.9922 2.9922 3.0757 3.0757 3.5299 3.5299 3.5762 3.5762 4.1118 4.1118 4.1179 4.1179 4.8659 4.8659 4.8936 4.8936 4.9780 4.9780 5.0253 5.0253 9.7700 9.7700 10.3927 10.3927 11.7073 11.7073 12.1836 12.1836 12.8984 12.8984 13.1530 13.1530 k = 0.3205 0.5000 0.2836 ( 4864 PWs) bands (ev): -15.6256 -15.6256 -15.6254 -15.6254 -10.5084 -10.5084 -10.5073 -10.5073 -10.4677 -10.4677 -10.4485 -10.4485 -8.0659 -8.0659 -8.0322 -8.0322 -7.9446 -7.9446 -7.9261 -7.9261 -7.8962 -7.8962 -7.8557 -7.8557 -6.9372 -6.9372 -6.8968 -6.8968 -0.7221 -0.7221 -0.7218 -0.7218 1.8480 1.8480 1.9205 1.9205 3.0179 3.0179 3.1022 3.1022 3.5489 3.5489 3.5925 3.5925 4.0859 4.0859 4.0923 4.0923 4.7936 4.7936 4.8429 4.8429 4.9652 4.9652 4.9947 4.9947 9.8159 9.8159 10.4272 10.4272 11.7177 11.7177 12.2123 12.2123 12.9226 12.9226 13.1441 13.1441 k = 0.3333 0.5000 0.2836 ( 4856 PWs) bands (ev): -15.6252 -15.6252 -15.6250 -15.6250 -10.5083 -10.5083 -10.5070 -10.5070 -10.4670 -10.4670 -10.4488 -10.4488 -8.0678 -8.0678 -8.0365 -8.0365 -7.9428 -7.9428 -7.9247 -7.9247 -7.8953 -7.8953 -7.8556 -7.8556 -6.9277 -6.9277 -6.8893 -6.8893 -0.7212 -0.7212 -0.7208 -0.7208 1.8357 1.8357 1.9046 1.9046 3.0452 3.0452 3.1303 3.1303 3.5668 3.5668 3.6078 3.6078 4.0624 4.0624 4.0689 4.0689 4.7183 4.7183 4.7809 4.7809 4.9554 4.9554 4.9749 4.9749 9.8633 9.8633 10.4593 10.4593 11.7286 11.7286 12.2357 12.2357 12.9432 12.9432 13.1330 13.1330 k = 0.3462 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6248 -15.6248 -15.6246 -15.6246 -10.5082 -10.5082 -10.5068 -10.5068 -10.4662 -10.4662 -10.4491 -10.4491 -8.0695 -8.0695 -8.0405 -8.0405 -7.9411 -7.9411 -7.9236 -7.9236 -7.8943 -7.8943 -7.8558 -7.8558 -6.9185 -6.9185 -6.8823 -6.8823 -0.7204 -0.7204 -0.7200 -0.7200 1.8246 1.8246 1.8896 1.8896 3.0743 3.0743 3.1599 3.1599 3.5837 3.5837 3.6219 3.6219 4.0411 4.0411 4.0478 4.0478 4.6421 4.6421 4.7132 4.7132 4.9469 4.9469 4.9607 4.9607 9.9119 9.9119 10.4886 10.4886 11.7406 11.7406 12.2535 12.2535 12.9605 12.9605 13.1203 13.1203 k = 0.3590 0.5000 0.2836 ( 4852 PWs) bands (ev): -15.6244 -15.6244 -15.6242 -15.6242 -10.5081 -10.5081 -10.5066 -10.5066 -10.4653 -10.4653 -10.4494 -10.4494 -8.0709 -8.0709 -8.0444 -8.0444 -7.9394 -7.9394 -7.9227 -7.9227 -7.8930 -7.8930 -7.8561 -7.8561 -6.9097 -6.9097 -6.8758 -6.8758 -0.7198 -0.7198 -0.7193 -0.7193 1.8147 1.8147 1.8754 1.8754 3.1050 3.1050 3.1911 3.1911 3.5995 3.5995 3.6350 3.6350 4.0222 4.0222 4.0288 4.0288 4.5662 4.5662 4.6430 4.6430 4.9391 4.9391 4.9494 4.9494 9.9614 9.9614 10.5143 10.5143 11.7540 11.7540 12.2653 12.2653 12.9745 12.9745 13.1068 13.1068 k = 0.3718 0.5000 0.2836 ( 4860 PWs) bands (ev): -15.6241 -15.6241 -15.6239 -15.6239 -10.5080 -10.5080 -10.5065 -10.5065 -10.4645 -10.4645 -10.4498 -10.4498 -8.0722 -8.0722 -8.0480 -8.0480 -7.9378 -7.9378 -7.9221 -7.9221 -7.8914 -7.8914 -7.8566 -7.8566 -6.9013 -6.9013 -6.8700 -6.8700 -0.7194 -0.7194 -0.7188 -0.7188 1.8060 1.8060 1.8621 1.8621 3.1373 3.1373 3.2236 3.2236 3.6143 3.6143 3.6468 3.6468 4.0054 4.0054 4.0120 4.0120 4.4912 4.4912 4.5719 4.5719 4.9319 4.9319 4.9398 4.9398 10.0114 10.0114 10.5359 10.5359 11.7692 11.7692 12.2710 12.2710 12.9855 12.9855 13.0929 13.0929 k = 0.3846 0.5000 0.2836 ( 4860 PWs) bands (ev): -15.6238 -15.6238 -15.6236 -15.6236 -10.5079 -10.5079 -10.5064 -10.5064 -10.4635 -10.4635 -10.4502 -10.4502 -8.0732 -8.0732 -8.0515 -8.0515 -7.9363 -7.9363 -7.9217 -7.9217 -7.8897 -7.8897 -7.8572 -7.8572 -6.8934 -6.8934 -6.8647 -6.8647 -0.7190 -0.7190 -0.7185 -0.7185 1.7984 1.7984 1.8496 1.8496 3.1713 3.1713 3.2572 3.2572 3.6282 3.6282 3.6576 3.6576 3.9907 3.9907 3.9971 3.9971 4.4177 4.4177 4.5009 4.5009 4.9252 4.9252 4.9315 4.9315 10.0616 10.0616 10.5528 10.5528 11.7867 11.7867 12.2707 12.2707 12.9940 12.9940 13.0793 13.0793 k = 0.3974 0.5000 0.2836 ( 4856 PWs) bands (ev): -15.6234 -15.6234 -15.6233 -15.6233 -10.5078 -10.5078 -10.5064 -10.5064 -10.4626 -10.4626 -10.4507 -10.4507 -8.0740 -8.0740 -8.0547 -8.0547 -7.9348 -7.9348 -7.9215 -7.9215 -7.8877 -7.8877 -7.8580 -7.8580 -6.8860 -6.8860 -6.8601 -6.8601 -0.7188 -0.7188 -0.7183 -0.7183 1.7920 1.7920 1.8381 1.8381 3.2066 3.2066 3.2916 3.2916 3.6413 3.6413 3.6673 3.6673 3.9780 3.9780 3.9840 3.9840 4.3465 4.3465 4.4308 4.4308 4.9191 4.9191 4.9241 4.9241 10.1116 10.1116 10.5645 10.5645 11.8068 11.8068 12.2645 12.2645 13.0002 13.0002 13.0665 13.0665 k = 0.4103 0.5000 0.2836 ( 4856 PWs) bands (ev): -15.6232 -15.6232 -15.6230 -15.6230 -10.5077 -10.5077 -10.5063 -10.5063 -10.4617 -10.4617 -10.4511 -10.4511 -8.0746 -8.0746 -8.0577 -8.0577 -7.9334 -7.9334 -7.9215 -7.9215 -7.8857 -7.8857 -7.8590 -7.8590 -6.8791 -6.8791 -6.8562 -6.8562 -0.7187 -0.7187 -0.7182 -0.7182 1.7868 1.7868 1.8275 1.8275 3.2432 3.2432 3.3263 3.3263 3.6536 3.6536 3.6760 3.6760 3.9672 3.9672 3.9727 3.9727 4.2782 4.2782 4.3623 4.3623 4.9136 4.9136 4.9176 4.9176 10.1611 10.1611 10.5707 10.5707 11.8296 11.8296 12.2525 12.2525 13.0045 13.0045 13.0548 13.0548 k = 0.4231 0.5000 0.2836 ( 4860 PWs) bands (ev): -15.6229 -15.6229 -15.6228 -15.6228 -10.5076 -10.5076 -10.5064 -10.5064 -10.4608 -10.4608 -10.4517 -10.4517 -8.0749 -8.0749 -8.0605 -8.0605 -7.9320 -7.9320 -7.9217 -7.9217 -7.8835 -7.8835 -7.8602 -7.8602 -6.8728 -6.8728 -6.8531 -6.8531 -0.7186 -0.7186 -0.7182 -0.7182 1.7826 1.7826 1.8178 1.8178 3.2805 3.2805 3.3603 3.3603 3.6654 3.6654 3.6838 3.6838 3.9582 3.9582 3.9629 3.9629 4.2138 4.2138 4.2960 4.2960 4.9087 4.9087 4.9119 4.9119 10.2096 10.2096 10.5712 10.5712 11.8553 11.8553 12.2351 12.2351 13.0074 13.0074 13.0444 13.0444 k = 0.4359 0.5000 0.2836 ( 4868 PWs) bands (ev): -15.6227 -15.6227 -15.6226 -15.6226 -10.5075 -10.5075 -10.5064 -10.5064 -10.4599 -10.4599 -10.4522 -10.4522 -8.0750 -8.0750 -8.0630 -8.0630 -7.9308 -7.9308 -7.9221 -7.9221 -7.8813 -7.8813 -7.8615 -7.8615 -6.8672 -6.8672 -6.8506 -6.8506 -0.7186 -0.7186 -0.7182 -0.7182 1.7795 1.7795 1.8091 1.8091 3.3180 3.3180 3.3926 3.3926 3.6768 3.6768 3.6908 3.6908 3.9508 3.9508 3.9545 3.9545 4.1547 4.1547 4.2329 4.2329 4.9045 4.9045 4.9070 4.9070 10.2569 10.2569 10.5659 10.5659 11.8838 11.8838 12.2130 12.2130 13.0091 13.0091 13.0356 13.0356 k = 0.4487 0.5000 0.2836 ( 4864 PWs) bands (ev): -15.6225 -15.6225 -15.6225 -15.6225 -10.5074 -10.5074 -10.5065 -10.5065 -10.4590 -10.4590 -10.4528 -10.4528 -8.0749 -8.0749 -8.0653 -8.0653 -7.9295 -7.9295 -7.9225 -7.9225 -7.8790 -7.8790 -7.8630 -7.8630 -6.8623 -6.8623 -6.8489 -6.8489 -0.7186 -0.7186 -0.7183 -0.7183 1.7776 1.7776 1.8014 1.8014 3.3548 3.3548 3.4214 3.4214 3.6879 3.6879 3.6971 3.6971 3.9449 3.9449 3.9474 3.9474 4.1027 4.1027 4.1740 4.1740 4.9010 4.9010 4.9029 4.9029 10.3025 10.3025 10.5549 10.5549 11.9148 11.9148 12.1867 12.1867 13.0101 13.0101 13.0283 13.0283 k = 0.4615 0.5000 0.2836 ( 4856 PWs) bands (ev): -15.6224 -15.6224 -15.6223 -15.6223 -10.5073 -10.5073 -10.5066 -10.5066 -10.4581 -10.4581 -10.4535 -10.4535 -8.0745 -8.0745 -8.0673 -8.0673 -7.9284 -7.9284 -7.9231 -7.9231 -7.8767 -7.8767 -7.8646 -7.8646 -6.8580 -6.8580 -6.8479 -6.8479 -0.7186 -0.7186 -0.7183 -0.7183 1.7768 1.7768 1.7947 1.7947 3.3894 3.3894 3.4447 3.4447 3.6983 3.6983 3.7029 3.7029 3.9403 3.9403 3.9413 3.9413 4.0603 4.0603 4.1208 4.1208 4.8983 4.8983 4.8997 4.8997 10.3460 10.3460 10.5384 10.5384 11.9479 11.9479 12.1569 12.1569 13.0106 13.0106 13.0226 13.0226 k = 0.4744 0.5000 0.2836 ( 4844 PWs) bands (ev): -15.6223 -15.6223 -15.6223 -15.6223 -10.5071 -10.5071 -10.5066 -10.5066 -10.4572 -10.4572 -10.4541 -10.4541 -8.0739 -8.0739 -8.0691 -8.0691 -7.9273 -7.9273 -7.9238 -7.9238 -7.8745 -7.8745 -7.8664 -7.8664 -6.8544 -6.8544 -6.8477 -6.8477 -0.7186 -0.7186 -0.7184 -0.7184 1.7770 1.7770 1.7890 1.7890 3.4200 3.4200 3.4601 3.4601 3.7072 3.7072 3.7082 3.7082 3.9363 3.9363 3.9368 3.9368 4.0309 4.0309 4.0754 4.0754 4.8964 4.8964 4.8973 4.8973 10.3870 10.3870 10.5168 10.5168 11.9826 11.9826 12.1244 12.1244 13.0111 13.0111 13.0183 13.0183 k = 0.4872 0.5000 0.2836 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5070 -10.5070 -10.5068 -10.5068 -10.4564 -10.4564 -10.4549 -10.4549 -8.0731 -8.0731 -8.0707 -8.0707 -7.9263 -7.9263 -7.9245 -7.9245 -7.8723 -7.8723 -7.8683 -7.8683 -6.8516 -6.8516 -6.8482 -6.8482 -0.7186 -0.7186 -0.7185 -0.7185 1.7784 1.7784 1.7844 1.7844 3.4444 3.4444 3.4655 3.4655 3.7125 3.7125 3.7130 3.7130 3.9333 3.9333 3.9342 3.9342 4.0172 4.0172 4.0409 4.0409 4.8953 4.8953 4.8958 4.8958 10.4250 10.4250 10.4904 10.4904 12.0183 12.0183 12.0900 12.0900 13.0119 13.0119 13.0152 13.0152 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5069 -10.5069 -10.5069 -10.5069 -10.4556 -10.4556 -10.4556 -10.4556 -8.0720 -8.0720 -8.0720 -8.0720 -7.9254 -7.9254 -7.9254 -7.9254 -7.8703 -7.8703 -7.8703 -7.8703 -6.8495 -6.8495 -6.8495 -6.8495 -0.7186 -0.7186 -0.7186 -0.7186 1.7809 1.7809 1.7809 1.7809 3.4602 3.4602 3.4602 3.4602 3.7146 3.7146 3.7146 3.7146 3.9327 3.9327 3.9327 3.9327 4.0207 4.0207 4.0207 4.0207 4.8951 4.8951 4.8951 4.8951 10.4596 10.4596 10.4596 10.4596 12.0543 12.0543 12.0543 12.0543 13.0131 13.0131 13.0131 13.0131 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5069 -10.5069 -10.5069 -10.5069 -10.4556 -10.4556 -10.4556 -10.4556 -8.0720 -8.0720 -8.0720 -8.0720 -7.9254 -7.9254 -7.9254 -7.9254 -7.8703 -7.8703 -7.8703 -7.8703 -6.8495 -6.8495 -6.8495 -6.8495 -0.7186 -0.7186 -0.7186 -0.7186 1.7809 1.7809 1.7809 1.7809 3.4602 3.4602 3.4602 3.4602 3.7146 3.7146 3.7146 3.7146 3.9327 3.9327 3.9327 3.9327 4.0207 4.0207 4.0207 4.0207 4.8951 4.8951 4.8951 4.8951 10.4596 10.4596 10.4596 10.4596 12.0543 12.0543 12.0543 12.0543 13.0131 13.0131 13.0131 13.0131 k = 0.4909 0.4909 0.2836 ( 4848 PWs) bands (ev): -15.6224 -15.6224 -15.6220 -15.6220 -10.5070 -10.5070 -10.5068 -10.5068 -10.4564 -10.4564 -10.4549 -10.4549 -8.0731 -8.0731 -8.0707 -8.0707 -7.9263 -7.9263 -7.9245 -7.9245 -7.8723 -7.8723 -7.8683 -7.8683 -6.8516 -6.8516 -6.8482 -6.8482 -0.7190 -0.7190 -0.7181 -0.7181 1.7784 1.7784 1.7844 1.7844 3.4431 3.4431 3.4669 3.4669 3.7109 3.7109 3.7145 3.7145 3.9326 3.9326 3.9349 3.9349 4.0162 4.0162 4.0419 4.0419 4.8953 4.8953 4.8958 4.8958 10.4248 10.4248 10.4906 10.4906 12.0182 12.0182 12.0901 12.0901 13.0119 13.0119 13.0152 13.0152 k = 0.4818 0.4818 0.2836 ( 4850 PWs) bands (ev): -15.6230 -15.6230 -15.6216 -15.6216 -10.5071 -10.5071 -10.5067 -10.5067 -10.4572 -10.4572 -10.4541 -10.4541 -8.0739 -8.0739 -8.0691 -8.0691 -7.9273 -7.9273 -7.9238 -7.9238 -7.8745 -7.8745 -7.8664 -7.8664 -6.8546 -6.8546 -6.8475 -6.8475 -0.7203 -0.7203 -0.7167 -0.7167 1.7769 1.7769 1.7892 1.7892 3.4125 3.4125 3.4691 3.4691 3.7001 3.7001 3.7140 3.7140 3.9331 3.9331 3.9412 3.9412 4.0233 4.0233 4.0817 4.0817 4.8962 4.8962 4.8976 4.8976 10.3858 10.3858 10.5180 10.5180 11.9823 11.9823 12.1247 12.1247 13.0115 13.0115 13.0179 13.0179 k = 0.4727 0.4727 0.2836 ( 4854 PWs) bands (ev): -15.6240 -15.6240 -15.6208 -15.6208 -10.5073 -10.5073 -10.5065 -10.5065 -10.4581 -10.4581 -10.4535 -10.4535 -8.0745 -8.0745 -8.0674 -8.0674 -7.9284 -7.9284 -7.9231 -7.9231 -7.8768 -7.8768 -7.8646 -7.8646 -6.8585 -6.8585 -6.8474 -6.8474 -0.7225 -0.7225 -0.7144 -0.7144 1.7762 1.7762 1.7953 1.7953 3.3707 3.3707 3.4696 3.4696 3.6827 3.6827 3.7134 3.7134 3.9339 3.9339 3.9524 3.9524 4.0377 4.0377 4.1375 4.1375 4.8976 4.8976 4.9004 4.9004 10.3426 10.3426 10.5422 10.5422 11.9473 11.9473 12.1574 12.1574 13.0117 13.0117 13.0211 13.0211 k = 0.4636 0.4636 0.2836 ( 4850 PWs) bands (ev): -15.6254 -15.6254 -15.6196 -15.6196 -10.5074 -10.5074 -10.5064 -10.5064 -10.4590 -10.4590 -10.4528 -10.4528 -8.0748 -8.0748 -8.0654 -8.0654 -7.9295 -7.9295 -7.9225 -7.9225 -7.8791 -7.8791 -7.8629 -7.8629 -6.8634 -6.8634 -6.8478 -6.8478 -0.7254 -0.7254 -0.7112 -0.7112 1.7764 1.7764 1.8028 1.8028 3.3224 3.3224 3.4691 3.4691 3.6601 3.6601 3.7124 3.7124 3.9352 3.9352 3.9690 3.9690 4.0566 4.0566 4.2052 4.2052 4.8997 4.8997 4.9044 4.9044 10.2950 10.2950 10.5635 10.5635 11.9135 11.9135 12.1877 12.1877 13.0124 13.0124 13.0243 13.0243 k = 0.4545 0.4545 0.2836 ( 4858 PWs) bands (ev): -15.6271 -15.6271 -15.6182 -15.6182 -10.5075 -10.5075 -10.5064 -10.5064 -10.4599 -10.4599 -10.4522 -10.4522 -8.0748 -8.0748 -8.0632 -8.0632 -7.9308 -7.9308 -7.9220 -7.9220 -7.8815 -7.8815 -7.8614 -7.8614 -6.8693 -6.8693 -6.8487 -6.8487 -0.7290 -0.7290 -0.7070 -0.7070 1.7773 1.7773 1.8118 1.8118 3.2709 3.2709 3.4673 3.4673 3.6334 3.6334 3.7113 3.7113 3.9370 3.9370 3.9912 3.9912 4.0783 4.0783 4.2813 4.2813 4.9022 4.9022 4.9096 4.9096 10.2433 10.2433 10.5825 10.5825 11.8815 11.8815 12.2148 12.2148 13.0136 13.0136 13.0270 13.0270 k = 0.4455 0.4455 0.2836 ( 4858 PWs) bands (ev): -15.6293 -15.6293 -15.6165 -15.6165 -10.5077 -10.5077 -10.5063 -10.5063 -10.4609 -10.4609 -10.4516 -10.4516 -8.0745 -8.0745 -8.0609 -8.0609 -7.9320 -7.9320 -7.9216 -7.9216 -7.8840 -7.8840 -7.8599 -7.8599 -6.8763 -6.8763 -6.8499 -6.8499 -0.7332 -0.7332 -0.7020 -0.7020 1.7790 1.7790 1.8223 1.8223 3.2188 3.2188 3.4639 3.4639 3.6039 3.6039 3.7098 3.7098 3.9392 3.9392 4.0191 4.0191 4.1019 4.1019 4.3632 4.3632 4.9053 4.9053 4.9159 4.9159 10.1878 10.1878 10.5993 10.5993 11.8514 11.8514 12.2382 12.2382 13.0149 13.0149 13.0284 13.0284 k = 0.4364 0.4364 0.2836 ( 4860 PWs) bands (ev): -15.6318 -15.6318 -15.6144 -15.6144 -10.5078 -10.5078 -10.5062 -10.5062 -10.4619 -10.4619 -10.4510 -10.4510 -8.0740 -8.0740 -8.0584 -8.0584 -7.9334 -7.9334 -7.9213 -7.9213 -7.8865 -7.8865 -7.8586 -7.8586 -6.8844 -6.8844 -6.8515 -6.8515 -0.7379 -0.7379 -0.6961 -0.6961 1.7812 1.7812 1.8343 1.8343 3.1675 3.1675 3.4585 3.4585 3.5723 3.5723 3.7079 3.7079 3.9419 3.9419 4.0528 4.0528 4.1268 4.1268 4.4490 4.4490 4.9090 4.9090 4.9234 4.9234 10.1290 10.1290 10.6142 10.6142 11.8233 11.8233 12.2576 12.2576 13.0163 13.0163 13.0277 13.0277 k = 0.4273 0.4273 0.2836 ( 4854 PWs) bands (ev): -15.6347 -15.6347 -15.6121 -15.6121 -10.5079 -10.5079 -10.5062 -10.5062 -10.4630 -10.4630 -10.4505 -10.4505 -8.0732 -8.0732 -8.0557 -8.0557 -7.9348 -7.9348 -7.9211 -7.9211 -7.8890 -7.8890 -7.8574 -7.8574 -6.8936 -6.8936 -6.8534 -6.8534 -0.7430 -0.7430 -0.6893 -0.6893 1.7842 1.7842 1.8480 1.8480 3.1181 3.1181 3.4506 3.4506 3.5397 3.5397 3.7057 3.7057 3.9449 3.9449 4.0921 4.0921 4.1525 4.1525 4.5371 4.5371 4.9132 4.9132 4.9322 4.9322 10.0673 10.0673 10.6274 10.6274 11.7974 11.7974 12.2727 12.2727 13.0174 13.0174 13.0240 13.0240 k = 0.4182 0.4182 0.2836 ( 4846 PWs) bands (ev): -15.6379 -15.6379 -15.6094 -15.6094 -10.5080 -10.5080 -10.5061 -10.5061 -10.4640 -10.4640 -10.4500 -10.4500 -8.0720 -8.0720 -8.0529 -8.0529 -7.9362 -7.9362 -7.9210 -7.9210 -7.8915 -7.8915 -7.8564 -7.8564 -6.9038 -6.9038 -6.8555 -6.8555 -0.7483 -0.7483 -0.6816 -0.6816 1.7877 1.7877 1.8632 1.8632 3.0713 3.0713 3.4391 3.4391 3.5075 3.5075 3.7032 3.7032 3.9484 3.9484 4.1365 4.1365 4.1792 4.1792 4.6261 4.6261 4.9181 4.9181 4.9424 4.9424 10.0036 10.0036 10.6390 10.6390 11.7736 11.7736 12.2834 12.2834 13.0151 13.0151 13.0194 13.0194 k = 0.4091 0.4091 0.2836 ( 4846 PWs) bands (ev): -15.6415 -15.6415 -15.6065 -15.6065 -10.5082 -10.5082 -10.5062 -10.5062 -10.4651 -10.4651 -10.4495 -10.4495 -8.0707 -8.0707 -8.0500 -8.0500 -7.9378 -7.9378 -7.9210 -7.9210 -7.8940 -7.8940 -7.8555 -7.8555 -6.9150 -6.9150 -6.8580 -6.8580 -0.7537 -0.7537 -0.6730 -0.6730 1.7919 1.7919 1.8801 1.8801 3.0275 3.0275 3.4218 3.4218 3.4782 3.4782 3.7002 3.7002 3.9523 3.9523 4.1841 4.1841 4.2081 4.2081 4.7140 4.7140 4.9243 4.9243 4.9544 4.9544 9.9385 9.9385 10.6490 10.6490 11.7519 11.7519 12.2897 12.2897 13.0025 13.0025 13.0195 13.0195 k = 0.4000 0.4000 0.2836 ( 4842 PWs) bands (ev): -15.6454 -15.6454 -15.6033 -15.6033 -10.5083 -10.5083 -10.5062 -10.5062 -10.4663 -10.4663 -10.4491 -10.4491 -8.0690 -8.0690 -8.0469 -8.0469 -7.9393 -7.9393 -7.9212 -7.9212 -7.8965 -7.8965 -7.8547 -7.8547 -6.9273 -6.9273 -6.8607 -6.8607 -0.7590 -0.7590 -0.6636 -0.6636 1.7967 1.7967 1.8985 1.8985 2.9870 2.9870 3.3960 3.3960 3.4551 3.4551 3.6970 3.6970 3.9566 3.9566 4.2246 4.2246 4.2492 4.2492 4.7972 4.7972 4.9332 4.9332 4.9696 4.9696 9.8730 9.8730 10.6573 10.6573 11.7321 11.7321 12.2917 12.2917 12.9838 12.9838 13.0194 13.0194 k = 0.3909 0.3909 0.2836 ( 4846 PWs) bands (ev): -15.6496 -15.6496 -15.5999 -15.5999 -10.5084 -10.5084 -10.5062 -10.5062 -10.4674 -10.4674 -10.4486 -10.4486 -8.0671 -8.0671 -8.0438 -8.0438 -7.9409 -7.9409 -7.9216 -7.9216 -7.8989 -7.8989 -7.8541 -7.8541 -6.9405 -6.9405 -6.8636 -6.8636 -0.7641 -0.7641 -0.6534 -0.6534 1.8019 1.8019 1.9184 1.9184 2.9501 2.9501 3.3627 3.3627 3.4374 3.4374 3.6934 3.6934 3.9612 3.9612 4.2542 4.2542 4.3056 4.3056 4.8654 4.8654 4.9485 4.9485 4.9937 4.9937 9.8079 9.8079 10.6639 10.6639 11.7142 11.7142 12.2897 12.2897 12.9585 12.9585 13.0187 13.0187 k = 0.3818 0.3818 0.2836 ( 4850 PWs) bands (ev): -15.6541 -15.6541 -15.5962 -15.5962 -10.5085 -10.5085 -10.5063 -10.5063 -10.4686 -10.4686 -10.4482 -10.4482 -8.0649 -8.0649 -8.0407 -8.0407 -7.9426 -7.9426 -7.9221 -7.9221 -7.9012 -7.9012 -7.8536 -7.8536 -6.9547 -6.9547 -6.8667 -6.8667 -0.7689 -0.7689 -0.6422 -0.6422 1.8077 1.8077 1.9399 1.9399 2.9169 2.9169 3.3250 3.3250 3.4224 3.4224 3.6894 3.6894 3.9661 3.9661 4.2817 4.2817 4.3678 4.3678 4.9023 4.9023 4.9702 4.9702 5.0419 5.0419 9.7442 9.7442 10.6687 10.6687 11.6980 11.6980 12.2840 12.2840 12.9265 12.9265 13.0173 13.0173 k = 0.3727 0.3727 0.2836 ( 4858 PWs) bands (ev): -15.6589 -15.6589 -15.5922 -15.5922 -10.5087 -10.5087 -10.5065 -10.5065 -10.4698 -10.4698 -10.4479 -10.4479 -8.0625 -8.0625 -8.0374 -8.0374 -7.9443 -7.9443 -7.9228 -7.9228 -7.9034 -7.9034 -7.8533 -7.8533 -6.9697 -6.9697 -6.8701 -6.8701 -0.7733 -0.7733 -0.6303 -0.6303 1.8139 1.8139 1.9629 1.9629 2.8876 2.8876 3.2849 3.2849 3.4086 3.4086 3.6852 3.6852 3.9714 3.9714 4.3088 4.3088 4.4334 4.4334 4.9176 4.9176 4.9893 4.9893 5.1129 5.1129 9.6829 9.6829 10.6712 10.6712 11.6835 11.6835 12.2752 12.2752 12.8875 12.8875 13.0152 13.0152 k = 0.3636 0.3636 0.2836 ( 4860 PWs) bands (ev): -15.6640 -15.6640 -15.5880 -15.5880 -10.5088 -10.5088 -10.5066 -10.5066 -10.4710 -10.4710 -10.4475 -10.4475 -8.0600 -8.0600 -8.0341 -8.0341 -7.9460 -7.9460 -7.9238 -7.9238 -7.9054 -7.9054 -7.8531 -7.8531 -6.9855 -6.9855 -6.8736 -6.8736 -0.7770 -0.7770 -0.6175 -0.6175 1.8204 1.8204 1.9873 1.9873 2.8621 2.8621 3.2434 3.2434 3.3955 3.3955 3.6808 3.6808 3.9770 3.9770 4.3358 4.3358 4.5016 4.5016 4.9262 4.9262 5.0062 5.0062 5.1904 5.1904 9.6249 9.6249 10.6714 10.6714 11.6705 11.6705 12.2638 12.2638 12.8418 12.8418 13.0124 13.0124 k = 0.3545 0.3545 0.2836 ( 4864 PWs) bands (ev): -15.6693 -15.6693 -15.5836 -15.5836 -10.5090 -10.5090 -10.5069 -10.5069 -10.4722 -10.4722 -10.4472 -10.4472 -8.0572 -8.0572 -8.0308 -8.0308 -7.9478 -7.9478 -7.9250 -7.9250 -7.9073 -7.9073 -7.8530 -7.8530 -7.0021 -7.0021 -6.8772 -6.8772 -0.7799 -0.7799 -0.6038 -0.6038 1.8272 1.8272 2.0132 2.0132 2.8406 2.8406 3.2009 3.2009 3.3829 3.3829 3.6761 3.6761 3.9828 3.9828 4.3628 4.3628 4.5715 4.5715 4.9328 4.9328 5.0226 5.0226 5.2670 5.2670 9.5713 9.5713 10.6688 10.6688 11.6590 11.6590 12.2506 12.2506 12.7896 12.7896 13.0091 13.0091 k = 0.3455 0.3455 0.2836 ( 4852 PWs) bands (ev): -15.6749 -15.6749 -15.5790 -15.5790 -10.5091 -10.5091 -10.5071 -10.5071 -10.4734 -10.4734 -10.4469 -10.4469 -8.0542 -8.0542 -8.0274 -8.0274 -7.9496 -7.9496 -7.9264 -7.9264 -7.9089 -7.9089 -7.8530 -7.8530 -7.0195 -7.0195 -6.8811 -6.8811 -0.7821 -0.7821 -0.5892 -0.5892 1.8341 1.8341 2.0404 2.0404 2.8228 2.8228 3.1579 3.1579 3.3709 3.3709 3.6712 3.6712 3.9890 3.9890 4.3898 4.3898 4.6421 4.6421 4.9390 4.9390 5.0391 5.0391 5.3400 5.3400 9.5231 9.5231 10.6632 10.6632 11.6489 11.6489 12.2364 12.2364 12.7316 12.7316 13.0052 13.0052 k = 0.3364 0.3364 0.2836 ( 4856 PWs) bands (ev): -15.6806 -15.6806 -15.5742 -15.5742 -10.5092 -10.5092 -10.5074 -10.5074 -10.4747 -10.4747 -10.4466 -10.4466 -8.0512 -8.0512 -8.0240 -8.0240 -7.9514 -7.9514 -7.9280 -7.9280 -7.9104 -7.9104 -7.8532 -7.8532 -7.0375 -7.0375 -6.8850 -6.8850 -0.7833 -0.7833 -0.5738 -0.5738 1.8411 1.8411 2.0688 2.0688 2.8089 2.8089 3.1145 3.1145 3.3598 3.3598 3.6660 3.6660 3.9954 3.9954 4.4167 4.4167 4.7122 4.7122 4.9457 4.9457 5.0559 5.0559 5.4079 5.4079 9.4812 9.4812 10.6542 10.6542 11.6404 11.6404 12.2222 12.2222 12.6684 12.6684 13.0010 13.0010 k = 0.3273 0.3273 0.2836 ( 4856 PWs) bands (ev): -15.6866 -15.6866 -15.5692 -15.5692 -10.5094 -10.5094 -10.5078 -10.5078 -10.4759 -10.4759 -10.4463 -10.4463 -8.0480 -8.0480 -8.0206 -8.0206 -7.9532 -7.9532 -7.9298 -7.9298 -7.9117 -7.9117 -7.8535 -7.8535 -7.0560 -7.0560 -6.8890 -6.8890 -0.7834 -0.7834 -0.5574 -0.5574 1.8482 1.8482 2.0986 2.0986 2.7985 2.7985 3.0710 3.0710 3.3496 3.3496 3.6607 3.6607 4.0019 4.0019 4.4435 4.4435 4.7797 4.7797 4.9547 4.9547 5.0729 5.0729 5.4693 5.4693 9.4465 9.4465 10.6415 10.6415 11.6333 11.6333 12.2088 12.2088 12.6008 12.6008 12.9966 12.9966 k = 0.3182 0.3182 0.2836 ( 4856 PWs) bands (ev): -15.6928 -15.6928 -15.5641 -15.5641 -10.5095 -10.5095 -10.5082 -10.5082 -10.4771 -10.4771 -10.4461 -10.4461 -8.0448 -8.0448 -8.0172 -8.0172 -7.9550 -7.9550 -7.9317 -7.9317 -7.9129 -7.9129 -7.8539 -7.8539 -7.0751 -7.0751 -6.8932 -6.8932 -0.7825 -0.7825 -0.5402 -0.5402 1.8551 1.8551 2.1295 2.1295 2.7914 2.7914 3.0277 3.0277 3.3405 3.3405 3.6552 3.6552 4.0087 4.0087 4.4703 4.4703 4.8402 4.8402 4.9696 4.9696 5.0902 5.0902 5.5234 5.5234 9.4198 9.4198 10.6250 10.6250 11.6278 11.6278 12.1971 12.1971 12.5298 12.5298 12.9920 12.9920 k = 0.3091 0.3091 0.2836 ( 4856 PWs) bands (ev): -15.6990 -15.6990 -15.5588 -15.5588 -10.5097 -10.5097 -10.5086 -10.5086 -10.4783 -10.4783 -10.4459 -10.4459 -8.0417 -8.0417 -8.0137 -8.0137 -7.9568 -7.9568 -7.9337 -7.9337 -7.9140 -7.9140 -7.8544 -7.8544 -7.0947 -7.0947 -6.8973 -6.8973 -0.7805 -0.7805 -0.5220 -0.5220 1.8618 1.8618 2.1614 2.1614 2.7872 2.7872 2.9852 2.9852 3.3329 3.3329 3.6496 3.6496 4.0157 4.0157 4.4970 4.4970 4.8850 4.8850 4.9984 4.9984 5.1078 5.1078 5.5696 5.5696 9.4017 9.4017 10.6046 10.6046 11.6240 11.6240 12.1881 12.1881 12.4562 12.4562 12.9876 12.9876 k = 0.3000 0.3000 0.2836 ( 4860 PWs) bands (ev): -15.7055 -15.7055 -15.5534 -15.5534 -10.5099 -10.5099 -10.5091 -10.5091 -10.4795 -10.4795 -10.4457 -10.4457 -8.0386 -8.0386 -8.0102 -8.0102 -7.9586 -7.9586 -7.9357 -7.9357 -7.9149 -7.9149 -7.8550 -7.8550 -7.1147 -7.1147 -6.9016 -6.9016 -0.7772 -0.7772 -0.5028 -0.5028 1.8682 1.8682 2.1944 2.1944 2.7849 2.7849 2.9443 2.9443 3.3267 3.3267 3.6438 3.6438 4.0228 4.0228 4.5236 4.5236 4.9094 4.9094 5.0444 5.0444 5.1261 5.1261 5.6072 5.6072 9.3927 9.3927 10.5803 10.5803 11.6220 11.6220 12.1824 12.1824 12.3811 12.3811 12.9832 12.9832 k = 0.2909 0.2909 0.2836 ( 4864 PWs) bands (ev): -15.7120 -15.7120 -15.5478 -15.5478 -10.5101 -10.5101 -10.5096 -10.5096 -10.4807 -10.4807 -10.4455 -10.4455 -8.0356 -8.0356 -8.0067 -8.0067 -7.9603 -7.9603 -7.9377 -7.9377 -7.9159 -7.9159 -7.8557 -7.8557 -7.1350 -7.1350 -6.9059 -6.9059 -0.7727 -0.7727 -0.4827 -0.4827 1.8742 1.8742 2.2284 2.2284 2.7824 2.7824 2.9073 2.9073 3.3222 3.3222 3.6379 3.6379 4.0301 4.0301 4.5501 4.5501 4.9210 4.9210 5.0969 5.0969 5.1474 5.1474 5.6362 5.6362 9.3927 9.3927 10.5524 10.5524 11.6219 11.6219 12.1806 12.1806 12.3056 12.3056 12.9792 12.9792 k = 0.2818 0.2818 0.2836 ( 4860 PWs) bands (ev): -15.7186 -15.7186 -15.5422 -15.5422 -10.5104 -10.5104 -10.5101 -10.5101 -10.4818 -10.4818 -10.4454 -10.4454 -8.0328 -8.0328 -8.0032 -8.0032 -7.9619 -7.9619 -7.9397 -7.9397 -7.9167 -7.9167 -7.8565 -7.8565 -7.1555 -7.1555 -6.9101 -6.9101 -0.7670 -0.7670 -0.4615 -0.4615 1.8798 1.8798 2.2632 2.2632 2.7750 2.7750 2.8788 2.8788 3.3194 3.3194 3.6319 3.6319 4.0374 4.0374 4.5764 4.5764 4.9272 4.9272 5.1368 5.1368 5.1823 5.1823 5.6566 5.6566 9.4016 9.4016 10.5212 10.5212 11.6239 11.6239 12.1817 12.1817 12.2320 12.2320 12.9755 12.9755 k = 0.2727 0.2727 0.2836 ( 4860 PWs) bands (ev): -15.7253 -15.7253 -15.5365 -15.5365 -10.5109 -10.5109 -10.5104 -10.5104 -10.4829 -10.4829 -10.4452 -10.4452 -8.0302 -8.0302 -7.9998 -7.9998 -7.9634 -7.9634 -7.9416 -7.9416 -7.9175 -7.9175 -7.8574 -7.8574 -7.1762 -7.1762 -6.9144 -6.9144 -0.7600 -0.7600 -0.4394 -0.4394 1.8849 1.8849 2.2988 2.2988 2.7559 2.7559 2.8654 2.8654 3.3184 3.3184 3.6258 3.6258 4.0448 4.0448 4.6024 4.6024 4.9307 4.9307 5.1575 5.1575 5.2335 5.2335 5.6690 5.6690 9.4188 9.4188 10.4875 10.4875 11.6279 11.6279 12.1515 12.1515 12.1964 12.1964 12.9723 12.9723 k = 0.2636 0.2636 0.2836 ( 4852 PWs) bands (ev): -15.7320 -15.7320 -15.5308 -15.5308 -10.5115 -10.5115 -10.5107 -10.5107 -10.4840 -10.4840 -10.4451 -10.4451 -8.0279 -8.0279 -7.9964 -7.9964 -7.9648 -7.9648 -7.9434 -7.9434 -7.9183 -7.9183 -7.8583 -7.8583 -7.1971 -7.1971 -6.9186 -6.9186 -0.7519 -0.7519 -0.4162 -0.4162 1.8895 1.8895 2.3351 2.3351 2.7251 2.7251 2.8671 2.8671 3.3193 3.3193 3.6197 3.6197 4.0522 4.0522 4.6282 4.6282 4.9329 4.9329 5.1707 5.1707 5.2867 5.2867 5.6741 5.6741 9.4432 9.4432 10.4521 10.4521 11.6338 11.6338 12.0828 12.0828 12.2070 12.2070 12.9697 12.9697 k = 0.2545 0.2545 0.2836 ( 4842 PWs) bands (ev): -15.7388 -15.7388 -15.5250 -15.5250 -10.5122 -10.5122 -10.5109 -10.5109 -10.4851 -10.4851 -10.4450 -10.4450 -8.0259 -8.0259 -7.9931 -7.9931 -7.9660 -7.9660 -7.9451 -7.9451 -7.9190 -7.9190 -7.8592 -7.8592 -7.2180 -7.2180 -6.9229 -6.9229 -0.7425 -0.7425 -0.3920 -0.3920 1.8936 1.8936 2.3719 2.3719 2.6883 2.6883 2.8783 2.8783 3.3221 3.3221 3.6135 3.6135 4.0597 4.0597 4.6538 4.6538 4.9341 4.9341 5.1793 5.1793 5.3371 5.3371 5.6735 5.6735 9.4735 9.4735 10.4159 10.4159 11.6412 11.6412 12.0169 12.0169 12.2245 12.2245 12.9678 12.9678 k = 0.2455 0.2455 0.2836 ( 4850 PWs) bands (ev): -15.7455 -15.7455 -15.5192 -15.5192 -10.5129 -10.5129 -10.5111 -10.5111 -10.4862 -10.4862 -10.4450 -10.4450 -8.0243 -8.0243 -7.9901 -7.9901 -7.9668 -7.9668 -7.9466 -7.9466 -7.9196 -7.9196 -7.8603 -7.8603 -7.2389 -7.2389 -6.9270 -6.9270 -0.7320 -0.7320 -0.3667 -0.3667 1.8972 1.8972 2.4092 2.4092 2.6490 2.6490 2.8952 2.8952 3.3268 3.3268 3.6073 3.6073 4.0671 4.0671 4.6789 4.6789 4.9347 4.9347 5.1832 5.1832 5.3828 5.3828 5.6687 5.6687 9.5077 9.5077 10.3802 10.3802 11.6488 11.6488 11.9577 11.9577 12.2474 12.2474 12.9668 12.9668 k = 0.2364 0.2364 0.2836 ( 4850 PWs) bands (ev): -15.7523 -15.7523 -15.5134 -15.5134 -10.5136 -10.5136 -10.5113 -10.5113 -10.4872 -10.4872 -10.4450 -10.4450 -8.0230 -8.0230 -7.9875 -7.9875 -7.9673 -7.9673 -7.9481 -7.9481 -7.9201 -7.9201 -7.8613 -7.8613 -7.2596 -7.2596 -6.9311 -6.9311 -0.7204 -0.7204 -0.3405 -0.3405 1.9004 1.9004 2.4468 2.4468 2.6091 2.6091 2.9159 2.9159 3.3333 3.3333 3.6011 3.6011 4.0745 4.0745 4.7037 4.7037 4.9348 4.9348 5.1814 5.1814 5.4232 5.4232 5.6619 5.6619 9.5435 9.5435 10.3465 10.3465 11.6545 11.6545 11.9086 11.9086 12.2755 12.2755 12.9667 12.9667 k = 0.2273 0.2273 0.2836 ( 4854 PWs) bands (ev): -15.7590 -15.7590 -15.5076 -15.5076 -10.5143 -10.5143 -10.5116 -10.5116 -10.4883 -10.4883 -10.4450 -10.4450 -8.0220 -8.0220 -7.9855 -7.9855 -7.9672 -7.9672 -7.9493 -7.9493 -7.9205 -7.9205 -7.8623 -7.8623 -7.2803 -7.2803 -6.9351 -6.9351 -0.7077 -0.7077 -0.3132 -0.3132 1.9031 1.9031 2.4842 2.4842 2.5696 2.5696 2.9396 2.9396 3.3415 3.3415 3.5949 3.5949 4.0817 4.0817 4.7281 4.7281 4.9344 4.9344 5.1726 5.1726 5.4574 5.4574 5.6552 5.6552 9.5782 9.5782 10.3165 10.3165 11.6546 11.6546 11.8748 11.8748 12.3084 12.3084 12.9677 12.9677 k = 0.2182 0.2182 0.2836 ( 4866 PWs) bands (ev): -15.7656 -15.7656 -15.5018 -15.5018 -10.5151 -10.5151 -10.5119 -10.5119 -10.4893 -10.4893 -10.4450 -10.4450 -8.0214 -8.0214 -7.9842 -7.9842 -7.9666 -7.9666 -7.9505 -7.9505 -7.9208 -7.9208 -7.8634 -7.8634 -7.3006 -7.3006 -6.9390 -6.9390 -0.6942 -0.6942 -0.2849 -0.2849 1.9054 1.9054 2.5161 2.5161 2.5363 2.5363 2.9657 2.9657 3.3515 3.3515 3.5888 3.5888 4.0889 4.0889 4.7519 4.7519 4.9336 4.9336 5.1558 5.1558 5.4851 5.4851 5.6506 5.6506 9.6085 9.6085 10.2919 10.2919 11.6457 11.6457 11.8606 11.8606 12.3462 12.3462 12.9701 12.9701 k = 0.2091 0.2091 0.2836 ( 4858 PWs) bands (ev): -15.7721 -15.7721 -15.4961 -15.4961 -10.5158 -10.5158 -10.5121 -10.5121 -10.4903 -10.4903 -10.4451 -10.4451 -8.0210 -8.0210 -7.9835 -7.9835 -7.9654 -7.9654 -7.9515 -7.9515 -7.9208 -7.9208 -7.8644 -7.8644 -7.3207 -7.3207 -6.9428 -6.9428 -0.6798 -0.6798 -0.2557 -0.2557 1.9075 1.9075 2.4886 2.4886 2.5631 2.5631 2.9938 2.9938 3.3629 3.3629 3.5827 3.5827 4.0959 4.0959 4.7752 4.7752 4.9324 4.9324 5.1307 5.1307 5.5060 5.5060 5.6495 5.6495 9.6314 9.6314 10.2746 10.2746 11.6289 11.6289 11.8659 11.8659 12.3887 12.3887 12.9738 12.9738 k = 0.2000 0.2000 0.2836 ( 4854 PWs) bands (ev): -15.7786 -15.7786 -15.4905 -15.4905 -10.5165 -10.5165 -10.5124 -10.5124 -10.4912 -10.4912 -10.4451 -10.4451 -8.0209 -8.0209 -7.9834 -7.9834 -7.9640 -7.9640 -7.9523 -7.9523 -7.9206 -7.9206 -7.8654 -7.8654 -7.3404 -7.3404 -6.9465 -6.9465 -0.6646 -0.6646 -0.2256 -0.2256 1.9093 1.9093 2.4513 2.4513 2.6005 2.6005 3.0235 3.0235 3.3758 3.3758 3.5767 3.5767 4.1027 4.1027 4.7979 4.7979 4.9307 4.9307 5.0976 5.0976 5.5204 5.5204 5.6524 5.6524 9.6441 9.6441 10.2658 10.2658 11.6100 11.6100 11.8862 11.8862 12.4357 12.4357 12.9793 12.9793 k = 0.1909 0.1909 0.2836 ( 4862 PWs) bands (ev): -15.7849 -15.7849 -15.4850 -15.4850 -10.5172 -10.5172 -10.5126 -10.5126 -10.4922 -10.4922 -10.4452 -10.4452 -8.0211 -8.0211 -7.9837 -7.9837 -7.9624 -7.9624 -7.9532 -7.9532 -7.9202 -7.9202 -7.8663 -7.8663 -7.3596 -7.3596 -6.9501 -6.9501 -0.6488 -0.6488 -0.1947 -0.1947 1.9110 1.9110 2.4145 2.4145 2.6382 2.6382 3.0544 3.0544 3.3899 3.3899 3.5708 3.5708 4.1092 4.1092 4.8199 4.8199 4.9279 4.9279 5.0578 5.0578 5.5284 5.5284 5.6589 5.6589 9.6451 9.6451 10.2654 10.2654 11.5943 11.5943 11.9167 11.9167 12.4869 12.4869 12.9867 12.9867 k = 0.1818 0.1818 0.2836 ( 4870 PWs) bands (ev): -15.7910 -15.7910 -15.4795 -15.4795 -10.5179 -10.5179 -10.5129 -10.5129 -10.4931 -10.4931 -10.4454 -10.4454 -8.0214 -8.0214 -7.9842 -7.9842 -7.9609 -7.9609 -7.9539 -7.9539 -7.9196 -7.9196 -7.8672 -7.8672 -7.3784 -7.3784 -6.9535 -6.9535 -0.6325 -0.6325 -0.1630 -0.1630 1.9127 1.9127 2.3789 2.3789 2.6757 2.6757 3.0862 3.0862 3.4050 3.4050 3.5651 3.5651 4.1155 4.1155 4.8410 4.8410 4.9229 4.9229 5.0139 5.0139 5.5306 5.5306 5.6683 5.6683 9.6346 9.6346 10.2719 10.2719 11.5853 11.5853 11.9541 11.9541 12.5423 12.5423 12.9962 12.9962 k = 0.1727 0.1727 0.2836 ( 4854 PWs) bands (ev): -15.7970 -15.7970 -15.4742 -15.4742 -10.5186 -10.5186 -10.5132 -10.5132 -10.4940 -10.4940 -10.4455 -10.4455 -8.0218 -8.0218 -7.9848 -7.9848 -7.9595 -7.9595 -7.9547 -7.9547 -7.9187 -7.9187 -7.8680 -7.8680 -7.3965 -7.3965 -6.9568 -6.9568 -0.6157 -0.6157 -0.1307 -0.1307 1.9144 1.9144 2.3445 2.3445 2.7128 2.7128 3.1186 3.1186 3.4209 3.4209 3.5597 3.5597 4.1215 4.1215 4.8611 4.8611 4.9101 4.9101 4.9731 4.9731 5.5273 5.5273 5.6801 5.6801 9.6141 9.6141 10.2829 10.2829 11.5851 11.5851 11.9967 11.9967 12.6016 12.6016 13.0083 13.0083 k = 0.1636 0.1636 0.2836 ( 4848 PWs) bands (ev): -15.8028 -15.8028 -15.4691 -15.4691 -10.5192 -10.5192 -10.5134 -10.5134 -10.4949 -10.4949 -10.4457 -10.4457 -8.0223 -8.0223 -7.9855 -7.9855 -7.9582 -7.9582 -7.9556 -7.9556 -7.9177 -7.9177 -7.8687 -7.8687 -7.4141 -7.4141 -6.9600 -6.9600 -0.5988 -0.5988 -0.0979 -0.0979 1.9161 1.9161 2.3115 2.3115 2.7493 2.7493 3.1512 3.1512 3.4373 3.4373 3.5546 3.5546 4.1270 4.1270 4.8717 4.8717 4.8849 4.8849 4.9498 4.9498 5.5185 5.5185 5.6937 5.6937 9.5855 9.5855 10.2958 10.2958 11.5944 11.5944 12.0427 12.0427 12.6644 12.6644 13.0231 13.0231 k = 0.1545 0.1545 0.2836 ( 4848 PWs) bands (ev): -15.8084 -15.8084 -15.4641 -15.4641 -10.5198 -10.5198 -10.5137 -10.5137 -10.4957 -10.4957 -10.4458 -10.4458 -8.0228 -8.0228 -7.9863 -7.9863 -7.9571 -7.9571 -7.9565 -7.9565 -7.9167 -7.9167 -7.8693 -7.8693 -7.4309 -7.4309 -6.9630 -6.9630 -0.5817 -0.5817 -0.0648 -0.0648 1.9180 1.9180 2.2800 2.2800 2.7850 2.7850 3.1837 3.1837 3.4539 3.4539 3.5501 3.5501 4.1322 4.1322 4.8239 4.8239 4.8994 4.8994 4.9421 4.9421 5.5047 5.5047 5.7086 5.7086 9.5510 9.5510 10.3083 10.3083 11.6133 11.6133 12.0911 12.0911 12.7304 12.7304 13.0410 13.0410 k = 0.1455 0.1455 0.2836 ( 4858 PWs) bands (ev): -15.8138 -15.8138 -15.4593 -15.4593 -10.5203 -10.5203 -10.5140 -10.5140 -10.4966 -10.4966 -10.4461 -10.4461 -8.0233 -8.0233 -7.9872 -7.9872 -7.9577 -7.9577 -7.9560 -7.9560 -7.9156 -7.9156 -7.8698 -7.8698 -7.4470 -7.4470 -6.9658 -6.9658 -0.5646 -0.5646 -0.0315 -0.0315 1.9200 1.9200 2.2500 2.2500 2.8199 2.8199 3.2156 3.2156 3.4702 3.4702 3.5466 3.5466 4.1369 4.1369 4.7671 4.7671 4.9144 4.9144 4.9410 4.9410 5.4863 5.4863 5.7245 5.7245 9.5123 9.5123 10.3189 10.3189 11.6413 11.6413 12.1405 12.1405 12.7991 12.7991 13.0623 13.0623 k = 0.1364 0.1364 0.2836 ( 4858 PWs) bands (ev): -15.8190 -15.8190 -15.4547 -15.4547 -10.5208 -10.5208 -10.5143 -10.5143 -10.4974 -10.4974 -10.4463 -10.4463 -8.0237 -8.0237 -7.9880 -7.9880 -7.9589 -7.9589 -7.9549 -7.9549 -7.9146 -7.9146 -7.8703 -7.8703 -7.4622 -7.4622 -6.9685 -6.9685 -0.5477 -0.5477 0.0019 0.0019 1.9221 1.9221 2.2219 2.2219 2.8537 2.8537 3.2466 3.2466 3.4852 3.4852 3.5448 3.5448 4.1410 4.1410 4.7088 4.7088 4.9234 4.9234 4.9466 4.9466 5.4638 5.4638 5.7410 5.7410 9.4709 9.4709 10.3269 10.3269 11.6775 11.6775 12.1898 12.1898 12.8699 12.8699 13.0874 13.0874 k = 0.1273 0.1273 0.2836 ( 4850 PWs) bands (ev): -15.8238 -15.8238 -15.4503 -15.4503 -10.5213 -10.5213 -10.5145 -10.5145 -10.4981 -10.4981 -10.4465 -10.4465 -8.0240 -8.0240 -7.9889 -7.9889 -7.9603 -7.9603 -7.9539 -7.9539 -7.9137 -7.9137 -7.8706 -7.8706 -7.4766 -7.4766 -6.9710 -6.9710 -0.5310 -0.5310 0.0350 0.0350 1.9244 1.9244 2.1955 2.1955 2.8865 2.8865 3.2762 3.2762 3.4973 3.4973 3.5462 3.5462 4.1445 4.1445 4.6508 4.6508 4.9261 4.9261 4.9584 4.9584 5.4380 5.4380 5.7578 5.7578 9.4281 9.4281 10.3322 10.3322 11.7206 11.7206 12.2379 12.2379 12.9420 12.9420 13.1164 13.1164 k = 0.1182 0.1182 0.2836 ( 4856 PWs) bands (ev): -15.8285 -15.8285 -15.4462 -15.4462 -10.5217 -10.5217 -10.5147 -10.5147 -10.4989 -10.4989 -10.4467 -10.4467 -8.0243 -8.0243 -7.9897 -7.9897 -7.9618 -7.9618 -7.9530 -7.9530 -7.9130 -7.9130 -7.8709 -7.8709 -7.4901 -7.4901 -6.9734 -6.9734 -0.5149 -0.5149 0.0678 0.0678 1.9267 1.9267 2.1711 2.1711 2.9179 2.9179 3.3040 3.3040 3.5045 3.5045 3.5527 3.5527 4.1472 4.1472 4.5944 4.5944 4.9265 4.9265 4.9718 4.9718 5.4095 5.4095 5.7745 5.7745 9.3847 9.3847 10.3350 10.3350 11.7692 11.7692 12.2836 12.2836 13.0147 13.0147 13.1496 13.1496 k = 0.1091 0.1091 0.2836 ( 4860 PWs) bands (ev): -15.8328 -15.8328 -15.4423 -15.4423 -10.5221 -10.5221 -10.5150 -10.5150 -10.4996 -10.4996 -10.4470 -10.4470 -8.0244 -8.0244 -7.9905 -7.9905 -7.9634 -7.9634 -7.9520 -7.9520 -7.9124 -7.9124 -7.8711 -7.8711 -7.5026 -7.5026 -6.9756 -6.9756 -0.4993 -0.4993 0.0998 0.0998 1.9290 1.9290 2.1487 2.1487 2.9479 2.9479 3.3296 3.3296 3.5071 3.5071 3.5641 3.5641 4.1491 4.1491 4.5408 4.5408 4.9265 4.9265 4.9848 4.9848 5.3791 5.3791 5.7908 5.7908 9.3416 9.3416 10.3355 10.3355 11.8221 11.8221 12.3261 12.3261 13.0868 13.0868 13.1871 13.1871 k = 0.1000 0.1000 0.2836 ( 4856 PWs) bands (ev): -15.8368 -15.8368 -15.4386 -15.4386 -10.5224 -10.5224 -10.5152 -10.5152 -10.5003 -10.5003 -10.4472 -10.4472 -8.0243 -8.0243 -7.9912 -7.9912 -7.9652 -7.9652 -7.9511 -7.9511 -7.9119 -7.9119 -7.8713 -7.8713 -7.5142 -7.5142 -6.9776 -6.9776 -0.4844 -0.4844 0.1309 0.1309 1.9311 1.9311 2.1285 2.1285 2.9764 2.9764 3.3524 3.3524 3.5073 3.5073 3.5780 3.5780 4.1500 4.1500 4.4908 4.4908 4.9267 4.9267 4.9969 4.9969 5.3476 5.3476 5.8066 5.8066 9.2995 9.2995 10.3344 10.3344 11.8778 11.8778 12.3646 12.3646 13.1567 13.1567 13.2293 13.2293 k = 0.0909 0.0909 0.2836 ( 4856 PWs) bands (ev): -15.8406 -15.8406 -15.4353 -15.4353 -10.5227 -10.5227 -10.5154 -10.5154 -10.5009 -10.5009 -10.4474 -10.4474 -8.0241 -8.0241 -7.9919 -7.9919 -7.9671 -7.9671 -7.9502 -7.9502 -7.9116 -7.9116 -7.8716 -7.8716 -7.5247 -7.5247 -6.9794 -6.9794 -0.4704 -0.4704 0.1608 0.1608 1.9329 1.9329 2.1106 2.1106 3.0032 3.0032 3.3719 3.3719 3.5069 3.5069 3.5927 3.5927 4.1497 4.1497 4.4453 4.4453 4.9271 4.9271 5.0076 5.0076 5.3157 5.3157 5.8217 5.8217 9.2591 9.2591 10.3321 10.3321 11.9353 11.9353 12.3986 12.3986 13.2220 13.2220 13.2772 13.2772 k = 0.0818 0.0818 0.2836 ( 4862 PWs) bands (ev): -15.8440 -15.8440 -15.4322 -15.4322 -10.5229 -10.5229 -10.5156 -10.5156 -10.5015 -10.5015 -10.4477 -10.4477 -8.0237 -8.0237 -7.9925 -7.9925 -7.9690 -7.9690 -7.9493 -7.9493 -7.9114 -7.9114 -7.8718 -7.8718 -7.5343 -7.5343 -6.9811 -6.9811 -0.4573 -0.4573 0.1891 0.1891 1.9342 1.9342 2.0950 2.0950 3.0282 3.0282 3.3878 3.3878 3.5067 3.5067 3.6073 3.6073 4.1480 4.1480 4.4050 4.4050 4.9279 4.9279 5.0169 5.0169 5.2844 5.2844 5.8358 5.8358 9.2209 9.2209 10.3289 10.3289 11.9933 11.9933 12.4275 12.4275 13.2800 13.2800 13.3318 13.3318 k = 0.0727 0.0727 0.2836 ( 4858 PWs) bands (ev): -15.8470 -15.8470 -15.4294 -15.4294 -10.5232 -10.5232 -10.5158 -10.5158 -10.5020 -10.5020 -10.4479 -10.4479 -8.0233 -8.0233 -7.9929 -7.9929 -7.9710 -7.9710 -7.9484 -7.9484 -7.9114 -7.9114 -7.8721 -7.8721 -7.5428 -7.5428 -6.9826 -6.9826 -0.4453 -0.4453 0.2156 0.2156 1.9349 1.9349 2.0820 2.0820 3.0512 3.0512 3.3998 3.3998 3.5073 3.5073 3.6212 3.6212 4.1449 4.1449 4.3706 4.3706 4.9293 4.9293 5.0244 5.0244 5.2544 5.2544 5.8489 5.8489 9.1854 9.1854 10.3253 10.3253 12.0510 12.0510 12.4512 12.4512 13.3312 13.3312 13.3909 13.3909 k = 0.0636 0.0636 0.2836 ( 4874 PWs) bands (ev): -15.8498 -15.8498 -15.4269 -15.4269 -10.5233 -10.5233 -10.5160 -10.5160 -10.5025 -10.5025 -10.4481 -10.4481 -8.0227 -8.0227 -7.9933 -7.9933 -7.9731 -7.9731 -7.9476 -7.9476 -7.9114 -7.9114 -7.8724 -7.8724 -7.5502 -7.5502 -6.9840 -6.9840 -0.4344 -0.4344 0.2399 0.2399 1.9349 1.9349 2.0714 2.0714 3.0721 3.0721 3.4080 3.4080 3.5088 3.5088 3.6341 3.6341 4.1403 4.1403 4.3422 4.3422 4.9312 4.9312 5.0298 5.0298 5.2266 5.2266 5.8607 5.8607 9.1530 9.1530 10.3214 10.3214 12.1074 12.1074 12.4695 12.4695 13.3781 13.3781 13.4503 13.4503 k = 0.0545 0.0545 0.2836 ( 4862 PWs) bands (ev): -15.8522 -15.8522 -15.4247 -15.4247 -10.5235 -10.5235 -10.5161 -10.5161 -10.5029 -10.5029 -10.4483 -10.4483 -8.0220 -8.0220 -7.9935 -7.9935 -7.9751 -7.9751 -7.9469 -7.9469 -7.9114 -7.9114 -7.8727 -7.8727 -7.5567 -7.5567 -6.9851 -6.9851 -0.4248 -0.4248 0.2617 0.2617 1.9342 1.9342 2.0632 2.0632 3.0907 3.0907 3.4130 3.4130 3.5108 3.5108 3.6458 3.6458 4.1345 4.1345 4.3199 4.3199 4.9338 4.9338 5.0328 5.0328 5.2020 5.2020 5.8712 5.8712 9.1241 9.1241 10.3177 10.3177 12.1617 12.1617 12.4823 12.4823 13.4220 13.4220 13.5068 13.5068 k = 0.0455 0.0455 0.2836 ( 4862 PWs) bands (ev): -15.8542 -15.8542 -15.4229 -15.4229 -10.5236 -10.5236 -10.5162 -10.5162 -10.5033 -10.5033 -10.4485 -10.4485 -8.0213 -8.0213 -7.9936 -7.9936 -7.9771 -7.9771 -7.9462 -7.9462 -7.9115 -7.9115 -7.8730 -7.8730 -7.5621 -7.5621 -6.9861 -6.9861 -0.4166 -0.4166 0.2808 0.2808 1.9331 1.9331 2.0571 2.0571 3.1068 3.1068 3.4155 3.4155 3.5130 3.5130 3.6560 3.6560 4.1281 4.1281 4.3031 4.3031 4.9370 4.9370 5.0330 5.0330 5.1813 5.1813 5.8802 5.8802 9.0990 9.0990 10.3143 10.3143 12.2130 12.2130 12.4896 12.4896 13.4631 13.4631 13.5585 13.5585 k = 0.0364 0.0364 0.2836 ( 4874 PWs) bands (ev): -15.8559 -15.8559 -15.4213 -15.4213 -10.5237 -10.5237 -10.5163 -10.5163 -10.5036 -10.5036 -10.4486 -10.4486 -8.0207 -8.0207 -7.9935 -7.9935 -7.9790 -7.9790 -7.9457 -7.9457 -7.9116 -7.9116 -7.8733 -7.8733 -7.5665 -7.5665 -6.9869 -6.9869 -0.4097 -0.4097 0.2968 0.2968 1.9315 1.9315 2.0528 2.0528 3.1204 3.1204 3.4162 3.4162 3.5150 3.5150 3.6646 3.6646 4.1217 4.1217 4.2910 4.2910 4.9409 4.9409 5.0304 5.0304 5.1653 5.1653 5.8877 5.8877 9.0782 9.0782 10.3112 10.3112 12.2604 12.2604 12.4914 12.4914 13.5016 13.5016 13.6038 13.6038 k = 0.0273 0.0273 0.2836 ( 4874 PWs) bands (ev): -15.8572 -15.8572 -15.4201 -15.4201 -10.5238 -10.5238 -10.5164 -10.5164 -10.5039 -10.5039 -10.4487 -10.4487 -8.0201 -8.0201 -7.9933 -7.9933 -7.9807 -7.9807 -7.9452 -7.9452 -7.9117 -7.9117 -7.8736 -7.8736 -7.5699 -7.5699 -6.9875 -6.9875 -0.4044 -0.4044 0.3096 0.3096 1.9300 1.9300 2.0500 2.0500 3.1311 3.1311 3.4159 3.4159 3.5165 3.5165 3.6715 3.6715 4.1160 4.1160 4.2826 4.2826 4.9452 4.9452 5.0255 5.0255 5.1539 5.1539 5.8937 5.8937 9.0617 9.0617 10.3088 10.3088 12.3028 12.3028 12.4881 12.4881 13.5373 13.5373 13.6411 13.6411 k = 0.0182 0.0182 0.2836 ( 4886 PWs) bands (ev): -15.8581 -15.8581 -15.4193 -15.4193 -10.5238 -10.5238 -10.5165 -10.5165 -10.5041 -10.5041 -10.4488 -10.4488 -8.0196 -8.0196 -7.9931 -7.9931 -7.9820 -7.9820 -7.9449 -7.9449 -7.9118 -7.9118 -7.8738 -7.8738 -7.5723 -7.5723 -6.9879 -6.9879 -0.4005 -0.4005 0.3188 0.3188 1.9287 1.9287 2.0482 2.0482 3.1390 3.1390 3.4153 3.4153 3.5176 3.5176 3.6764 3.6764 4.1116 4.1116 4.2773 4.2773 4.9494 4.9494 5.0197 5.0197 5.1467 5.1467 5.8979 5.8979 9.0497 9.0497 10.3069 10.3069 12.3388 12.3388 12.4806 12.4806 13.5700 13.5700 13.6687 13.6687 k = 0.0091 0.0091 0.2836 ( 4884 PWs) bands (ev): -15.8587 -15.8587 -15.4188 -15.4188 -10.5238 -10.5238 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0193 -8.0193 -7.9928 -7.9928 -7.9830 -7.9830 -7.9447 -7.9447 -7.9118 -7.9118 -7.8740 -7.8740 -7.5737 -7.5737 -6.9882 -6.9882 -0.3982 -0.3982 0.3245 0.3245 1.9278 1.9278 2.0473 2.0473 3.1437 3.1437 3.4148 3.4148 3.5182 3.5182 3.6794 3.6794 4.1089 4.1089 4.2743 4.2743 4.9528 4.9528 5.0148 5.0148 5.1428 5.1428 5.9005 5.9005 9.0425 9.0425 10.3058 10.3058 12.3650 12.3650 12.4717 12.4717 13.5979 13.5979 13.6832 13.6832 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -15.8589 -15.8589 -15.4186 -15.4186 -10.5239 -10.5239 -10.5165 -10.5165 -10.5042 -10.5042 -10.4489 -10.4489 -8.0192 -8.0192 -7.9927 -7.9927 -7.9833 -7.9833 -7.9446 -7.9446 -7.9118 -7.9118 -7.8740 -7.8740 -7.5742 -7.5742 -6.9883 -6.9883 -0.3974 -0.3974 0.3263 0.3263 1.9275 1.9275 2.0470 2.0470 3.1453 3.1453 3.4146 3.4146 3.5184 3.5184 3.6804 3.6804 4.1079 4.1079 4.2734 4.2734 4.9542 4.9542 5.0128 5.0128 5.1416 5.1416 5.9014 5.9014 9.0401 9.0401 10.3054 10.3054 12.3754 12.3754 12.4671 12.4671 13.6115 13.6115 13.6794 13.6794 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5152 -10.5152 -10.5152 -10.5152 -10.4597 -10.4597 -10.4597 -10.4597 -7.9786 -7.9786 -7.9786 -7.9786 -7.9618 -7.9618 -7.9618 -7.9618 -7.8960 -7.8960 -7.8960 -7.8960 -7.0822 -7.0822 -7.0822 -7.0822 -0.7479 -0.7479 -0.7479 -0.7479 2.2383 2.2383 2.2383 2.2383 2.7366 2.7366 2.7366 2.7366 3.1719 3.1719 3.1719 3.1719 4.9107 4.9107 4.9107 4.9107 4.9820 4.9820 4.9820 4.9820 5.8499 5.8499 5.8499 5.8499 9.8101 9.8101 9.8101 9.8101 11.5627 11.5627 11.5628 11.5628 12.6102 12.6102 12.6102 12.6102 k = 0.0000 0.5000 0.0129 ( 4850 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5151 -10.5151 -10.5151 -10.5151 -10.4597 -10.4597 -10.4597 -10.4597 -7.9788 -7.9788 -7.9788 -7.9788 -7.9614 -7.9614 -7.9614 -7.9614 -7.8960 -7.8960 -7.8960 -7.8960 -7.0822 -7.0822 -7.0822 -7.0822 -0.7480 -0.7480 -0.7480 -0.7480 2.2390 2.2390 2.2390 2.2390 2.7366 2.7366 2.7366 2.7366 3.1713 3.1713 3.1713 3.1713 4.9110 4.9110 4.9110 4.9110 4.9822 4.9822 4.9822 4.9822 5.8498 5.8498 5.8498 5.8498 9.8092 9.8092 9.8092 9.8092 11.5622 11.5622 11.5622 11.5622 12.6082 12.6082 12.6083 12.6083 k = 0.0000 0.5000 0.0258 ( 4852 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5152 -10.5152 -10.5152 -10.5152 -10.4597 -10.4597 -10.4597 -10.4597 -7.9796 -7.9796 -7.9796 -7.9796 -7.9604 -7.9604 -7.9604 -7.9604 -7.8961 -7.8961 -7.8961 -7.8961 -7.0824 -7.0824 -7.0824 -7.0824 -0.7484 -0.7484 -0.7484 -0.7484 2.2411 2.2411 2.2411 2.2411 2.7367 2.7367 2.7367 2.7367 3.1696 3.1696 3.1696 3.1696 4.9120 4.9120 4.9120 4.9120 4.9829 4.9829 4.9830 4.9830 5.8494 5.8494 5.8494 5.8494 9.8067 9.8067 9.8067 9.8067 11.5604 11.5604 11.5604 11.5604 12.6025 12.6025 12.6025 12.6025 k = 0.0000 0.5000 0.0387 ( 4844 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5152 -10.5152 -10.5152 -10.5152 -10.4596 -10.4596 -10.4596 -10.4596 -7.9807 -7.9807 -7.9807 -7.9807 -7.9590 -7.9590 -7.9590 -7.9590 -7.8962 -7.8962 -7.8962 -7.8962 -7.0827 -7.0827 -7.0827 -7.0827 -0.7490 -0.7490 -0.7490 -0.7490 2.2446 2.2446 2.2446 2.2446 2.7368 2.7368 2.7368 2.7368 3.1668 3.1668 3.1668 3.1668 4.9134 4.9134 4.9134 4.9134 4.9843 4.9843 4.9843 4.9843 5.8487 5.8487 5.8487 5.8487 9.8026 9.8026 9.8026 9.8026 11.5575 11.5575 11.5575 11.5575 12.5932 12.5932 12.5932 12.5932 k = 0.0000 0.5000 0.0516 ( 4856 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5153 -10.5153 -10.5153 -10.5153 -10.4595 -10.4595 -10.4595 -10.4595 -7.9821 -7.9821 -7.9821 -7.9821 -7.9572 -7.9572 -7.9572 -7.9572 -7.8964 -7.8964 -7.8964 -7.8964 -7.0831 -7.0831 -7.0831 -7.0831 -0.7499 -0.7499 -0.7499 -0.7499 2.2495 2.2495 2.2495 2.2495 2.7370 2.7370 2.7370 2.7370 3.1629 3.1629 3.1629 3.1629 4.9152 4.9152 4.9152 4.9152 4.9862 4.9862 4.9862 4.9862 5.8478 5.8478 5.8478 5.8478 9.7969 9.7969 9.7969 9.7969 11.5535 11.5535 11.5535 11.5535 12.5806 12.5806 12.5806 12.5806 k = 0.0000 0.5000 0.0645 ( 4850 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5153 -10.5153 -10.5153 -10.5153 -10.4594 -10.4594 -10.4594 -10.4594 -7.9836 -7.9836 -7.9836 -7.9836 -7.9552 -7.9552 -7.9552 -7.9552 -7.8966 -7.8966 -7.8966 -7.8966 -7.0836 -7.0836 -7.0836 -7.0836 -0.7510 -0.7510 -0.7510 -0.7510 2.2556 2.2556 2.2556 2.2556 2.7373 2.7373 2.7373 2.7373 3.1579 3.1579 3.1579 3.1579 4.9172 4.9172 4.9172 4.9172 4.9889 4.9889 4.9889 4.9889 5.8466 5.8466 5.8466 5.8466 9.7898 9.7898 9.7898 9.7898 11.5485 11.5485 11.5485 11.5485 12.5653 12.5653 12.5653 12.5653 k = 0.0000 0.5000 0.0774 ( 4854 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5154 -10.5154 -10.5154 -10.5154 -10.4593 -10.4593 -10.4593 -10.4593 -7.9851 -7.9851 -7.9851 -7.9851 -7.9530 -7.9530 -7.9530 -7.9530 -7.8969 -7.8969 -7.8969 -7.8969 -7.0843 -7.0843 -7.0843 -7.0843 -0.7523 -0.7523 -0.7523 -0.7523 2.2628 2.2628 2.2628 2.2628 2.7376 2.7376 2.7376 2.7376 3.1521 3.1521 3.1521 3.1521 4.9192 4.9192 4.9192 4.9192 4.9924 4.9924 4.9924 4.9924 5.8452 5.8452 5.8452 5.8452 9.7813 9.7813 9.7814 9.7814 11.5424 11.5424 11.5424 11.5424 12.5478 12.5478 12.5478 12.5478 k = 0.0000 0.5000 0.0902 ( 4846 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5155 -10.5155 -10.5155 -10.5155 -10.4592 -10.4592 -10.4592 -10.4592 -7.9865 -7.9865 -7.9865 -7.9865 -7.9507 -7.9507 -7.9507 -7.9507 -7.8972 -7.8972 -7.8972 -7.8972 -7.0850 -7.0850 -7.0850 -7.0850 -0.7537 -0.7537 -0.7537 -0.7537 2.2711 2.2711 2.2711 2.2711 2.7379 2.7379 2.7379 2.7379 3.1454 3.1454 3.1454 3.1454 4.9211 4.9211 4.9211 4.9211 4.9969 4.9969 4.9969 4.9969 5.8436 5.8436 5.8436 5.8436 9.7717 9.7717 9.7717 9.7717 11.5354 11.5354 11.5354 11.5354 12.5286 12.5286 12.5286 12.5286 k = 0.0000 0.5000 0.1031 ( 4846 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5156 -10.5156 -10.5156 -10.5156 -10.4590 -10.4590 -10.4590 -10.4590 -7.9880 -7.9880 -7.9880 -7.9880 -7.9484 -7.9484 -7.9484 -7.9484 -7.8976 -7.8976 -7.8976 -7.8976 -7.0857 -7.0857 -7.0857 -7.0857 -0.7553 -0.7553 -0.7553 -0.7553 2.2804 2.2804 2.2804 2.2804 2.7383 2.7383 2.7383 2.7383 3.1379 3.1379 3.1380 3.1380 4.9227 4.9227 4.9227 4.9227 5.0023 5.0023 5.0023 5.0023 5.8419 5.8419 5.8419 5.8419 9.7611 9.7611 9.7611 9.7611 11.5277 11.5277 11.5277 11.5277 12.5083 12.5083 12.5083 12.5083 k = 0.0000 0.5000 0.1160 ( 4840 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5157 -10.5157 -10.5157 -10.5157 -10.4589 -10.4589 -10.4589 -10.4589 -7.9894 -7.9894 -7.9894 -7.9894 -7.9461 -7.9461 -7.9461 -7.9461 -7.8980 -7.8980 -7.8980 -7.8980 -7.0866 -7.0866 -7.0866 -7.0866 -0.7570 -0.7570 -0.7570 -0.7570 2.2903 2.2903 2.2903 2.2903 2.7386 2.7386 2.7386 2.7386 3.1299 3.1299 3.1299 3.1299 4.9239 4.9239 4.9239 4.9239 5.0085 5.0085 5.0085 5.0085 5.8400 5.8400 5.8400 5.8400 9.7497 9.7497 9.7497 9.7497 11.5192 11.5192 11.5192 11.5192 12.4875 12.4875 12.4875 12.4875 k = 0.0000 0.5000 0.1289 ( 4840 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5158 -10.5158 -10.5158 -10.5158 -10.4587 -10.4587 -10.4587 -10.4587 -7.9907 -7.9907 -7.9907 -7.9907 -7.9437 -7.9437 -7.9437 -7.9437 -7.8985 -7.8985 -7.8985 -7.8985 -7.0874 -7.0874 -7.0874 -7.0874 -0.7587 -0.7587 -0.7587 -0.7587 2.3009 2.3009 2.3009 2.3009 2.7390 2.7390 2.7390 2.7390 3.1214 3.1214 3.1214 3.1214 4.9247 4.9247 4.9247 4.9247 5.0154 5.0154 5.0154 5.0154 5.8380 5.8380 5.8380 5.8380 9.7378 9.7378 9.7378 9.7378 11.5102 11.5102 11.5102 11.5102 12.4667 12.4667 12.4667 12.4667 k = 0.0000 0.5000 0.1418 ( 4842 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5160 -10.5160 -10.5160 -10.5160 -10.4585 -10.4585 -10.4585 -10.4585 -7.9919 -7.9919 -7.9919 -7.9919 -7.9414 -7.9414 -7.9414 -7.9414 -7.8990 -7.8990 -7.8990 -7.8990 -7.0883 -7.0883 -7.0883 -7.0883 -0.7605 -0.7605 -0.7605 -0.7605 2.3119 2.3119 2.3119 2.3119 2.7393 2.7393 2.7393 2.7393 3.1125 3.1125 3.1125 3.1125 4.9251 4.9251 4.9251 4.9251 5.0229 5.0229 5.0229 5.0229 5.8359 5.8359 5.8359 5.8359 9.7255 9.7255 9.7255 9.7255 11.5009 11.5009 11.5009 11.5009 12.4464 12.4464 12.4464 12.4464 k = 0.0000 0.5000 0.1547 ( 4840 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5161 -10.5161 -10.5161 -10.5161 -10.4584 -10.4584 -10.4584 -10.4584 -7.9931 -7.9931 -7.9931 -7.9931 -7.9391 -7.9391 -7.9391 -7.9391 -7.8996 -7.8996 -7.8996 -7.8996 -7.0892 -7.0892 -7.0892 -7.0892 -0.7623 -0.7623 -0.7623 -0.7623 2.3231 2.3231 2.3231 2.3231 2.7396 2.7396 2.7396 2.7396 3.1035 3.1035 3.1035 3.1035 4.9252 4.9252 4.9252 4.9252 5.0308 5.0308 5.0308 5.0308 5.8338 5.8338 5.8338 5.8338 9.7131 9.7131 9.7131 9.7131 11.4914 11.4914 11.4914 11.4914 12.4271 12.4271 12.4271 12.4271 k = 0.0000 0.5000 0.1676 ( 4852 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5162 -10.5162 -10.5162 -10.5162 -10.4582 -10.4582 -10.4582 -10.4582 -7.9941 -7.9941 -7.9941 -7.9941 -7.9369 -7.9369 -7.9369 -7.9369 -7.9003 -7.9003 -7.9003 -7.9003 -7.0900 -7.0900 -7.0900 -7.0900 -0.7640 -0.7640 -0.7640 -0.7640 2.3343 2.3343 2.3343 2.3343 2.7399 2.7399 2.7399 2.7399 3.0945 3.0945 3.0945 3.0945 4.9251 4.9251 4.9251 4.9251 5.0387 5.0387 5.0387 5.0387 5.8317 5.8317 5.8317 5.8317 9.7009 9.7009 9.7009 9.7009 11.4819 11.4819 11.4819 11.4819 12.4089 12.4089 12.4089 12.4089 k = 0.0000 0.5000 0.1805 ( 4868 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5163 -10.5163 -10.5163 -10.5163 -10.4581 -10.4581 -10.4581 -10.4581 -7.9951 -7.9951 -7.9951 -7.9951 -7.9347 -7.9347 -7.9347 -7.9347 -7.9010 -7.9010 -7.9010 -7.9010 -7.0909 -7.0909 -7.0909 -7.0909 -0.7657 -0.7657 -0.7657 -0.7657 2.3453 2.3453 2.3453 2.3453 2.7402 2.7402 2.7402 2.7402 3.0857 3.0857 3.0857 3.0857 4.9249 4.9249 4.9249 4.9249 5.0465 5.0465 5.0465 5.0465 5.8297 5.8297 5.8297 5.8297 9.6891 9.6891 9.6891 9.6891 11.4726 11.4726 11.4726 11.4726 12.3923 12.3923 12.3923 12.3923 k = 0.0000 0.5000 0.1934 ( 4868 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5164 -10.5164 -10.5164 -10.5164 -10.4579 -10.4579 -10.4579 -10.4579 -7.9959 -7.9959 -7.9959 -7.9959 -7.9327 -7.9327 -7.9327 -7.9327 -7.9017 -7.9017 -7.9017 -7.9017 -7.0916 -7.0916 -7.0916 -7.0916 -0.7672 -0.7672 -0.7672 -0.7672 2.3558 2.3558 2.3558 2.3558 2.7404 2.7404 2.7404 2.7404 3.0773 3.0773 3.0774 3.0774 4.9245 4.9245 4.9245 4.9245 5.0540 5.0540 5.0540 5.0540 5.8278 5.8278 5.8278 5.8278 9.6779 9.6779 9.6780 9.6780 11.4638 11.4638 11.4638 11.4638 12.3773 12.3773 12.3773 12.3773 k = 0.0000 0.5000 0.2063 ( 4864 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5165 -10.5165 -10.5165 -10.5165 -10.4578 -10.4578 -10.4578 -10.4578 -7.9967 -7.9967 -7.9967 -7.9967 -7.9308 -7.9308 -7.9308 -7.9308 -7.9024 -7.9024 -7.9024 -7.9024 -7.0924 -7.0924 -7.0924 -7.0924 -0.7687 -0.7687 -0.7687 -0.7687 2.3655 2.3655 2.3655 2.3655 2.7405 2.7405 2.7405 2.7405 3.0695 3.0695 3.0695 3.0695 4.9240 4.9240 4.9240 4.9240 5.0609 5.0609 5.0609 5.0609 5.8260 5.8260 5.8260 5.8260 9.6678 9.6678 9.6678 9.6678 11.4557 11.4557 11.4557 11.4557 12.3642 12.3642 12.3642 12.3642 k = 0.0000 0.5000 0.2192 ( 4860 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5166 -10.5166 -10.5166 -10.5166 -10.4577 -10.4577 -10.4577 -10.4577 -7.9973 -7.9973 -7.9973 -7.9973 -7.9291 -7.9291 -7.9291 -7.9291 -7.9031 -7.9031 -7.9031 -7.9031 -7.0930 -7.0930 -7.0930 -7.0930 -0.7699 -0.7699 -0.7699 -0.7699 2.3743 2.3743 2.3743 2.3743 2.7406 2.7406 2.7406 2.7406 3.0625 3.0625 3.0625 3.0625 4.9236 4.9236 4.9236 4.9236 5.0672 5.0672 5.0672 5.0672 5.8244 5.8244 5.8244 5.8244 9.6587 9.6587 9.6587 9.6587 11.4484 11.4484 11.4484 11.4484 12.3530 12.3530 12.3530 12.3530 k = 0.0000 0.5000 0.2321 ( 4852 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5166 -10.5166 -10.5166 -10.5166 -10.4576 -10.4576 -10.4576 -10.4576 -7.9978 -7.9978 -7.9978 -7.9978 -7.9275 -7.9275 -7.9275 -7.9275 -7.9037 -7.9037 -7.9037 -7.9037 -7.0935 -7.0935 -7.0935 -7.0935 -0.7709 -0.7709 -0.7709 -0.7709 2.3819 2.3819 2.3819 2.3819 2.7407 2.7407 2.7407 2.7407 3.0565 3.0565 3.0565 3.0565 4.9232 4.9232 4.9232 4.9232 5.0725 5.0725 5.0725 5.0725 5.8230 5.8230 5.8230 5.8230 9.6510 9.6510 9.6510 9.6510 11.4422 11.4422 11.4422 11.4422 12.3438 12.3438 12.3438 12.3438 k = 0.0000 0.5000 0.2450 ( 4864 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5167 -10.5167 -10.5167 -10.5167 -10.4575 -10.4575 -10.4575 -10.4575 -7.9982 -7.9982 -7.9982 -7.9982 -7.9263 -7.9263 -7.9263 -7.9263 -7.9043 -7.9043 -7.9043 -7.9043 -7.0939 -7.0939 -7.0939 -7.0939 -0.7718 -0.7718 -0.7718 -0.7718 2.3880 2.3880 2.3880 2.3880 2.7408 2.7408 2.7408 2.7408 3.0516 3.0516 3.0516 3.0516 4.9228 4.9228 4.9228 4.9228 5.0768 5.0768 5.0768 5.0768 5.8219 5.8219 5.8219 5.8219 9.6448 9.6448 9.6448 9.6448 11.4372 11.4372 11.4372 11.4372 12.3367 12.3367 12.3367 12.3367 k = 0.0000 0.5000 0.2578 ( 4876 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5167 -10.5167 -10.5167 -10.5167 -10.4575 -10.4575 -10.4575 -10.4575 -7.9985 -7.9985 -7.9985 -7.9985 -7.9253 -7.9253 -7.9253 -7.9253 -7.9048 -7.9048 -7.9048 -7.9048 -7.0943 -7.0943 -7.0943 -7.0943 -0.7724 -0.7724 -0.7724 -0.7724 2.3925 2.3925 2.3925 2.3925 2.7408 2.7408 2.7408 2.7408 3.0479 3.0479 3.0479 3.0479 4.9225 4.9225 4.9225 4.9225 5.0799 5.0799 5.0799 5.0799 5.8211 5.8211 5.8211 5.8211 9.6403 9.6403 9.6403 9.6403 11.4335 11.4335 11.4335 11.4335 12.3315 12.3315 12.3315 12.3315 k = 0.0000 0.5000 0.2707 ( 4872 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5168 -10.5168 -10.5168 -10.5168 -10.4574 -10.4574 -10.4574 -10.4574 -7.9986 -7.9986 -7.9986 -7.9986 -7.9247 -7.9247 -7.9247 -7.9247 -7.9052 -7.9052 -7.9052 -7.9052 -7.0944 -7.0944 -7.0944 -7.0944 -0.7728 -0.7728 -0.7728 -0.7728 2.3953 2.3953 2.3953 2.3953 2.7408 2.7408 2.7408 2.7408 3.0457 3.0457 3.0457 3.0457 4.9224 4.9224 4.9224 4.9224 5.0818 5.0818 5.0818 5.0818 5.8206 5.8206 5.8206 5.8206 9.6375 9.6375 9.6376 9.6376 11.4313 11.4313 11.4313 11.4313 12.3285 12.3285 12.3285 12.3285 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -15.6339 -15.6339 -15.6339 -15.6339 -10.5168 -10.5168 -10.5168 -10.5168 -10.4574 -10.4574 -10.4574 -10.4574 -7.9987 -7.9987 -7.9987 -7.9987 -7.9245 -7.9245 -7.9245 -7.9245 -7.9053 -7.9053 -7.9053 -7.9053 -7.0945 -7.0945 -7.0945 -7.0945 -0.7729 -0.7729 -0.7729 -0.7729 2.3963 2.3963 2.3963 2.3963 2.7408 2.7408 2.7408 2.7408 3.0450 3.0450 3.0450 3.0450 4.9223 4.9223 4.9223 4.9223 5.0825 5.0825 5.0825 5.0825 5.8204 5.8204 5.8204 5.8204 9.6366 9.6366 9.6366 9.6366 11.4305 11.4305 11.4305 11.4305 12.3274 12.3274 12.3274 12.3274 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5121 -10.5121 -10.5121 -10.5121 -10.4508 -10.4508 -10.4508 -10.4508 -8.0901 -8.0901 -8.0901 -8.0901 -7.9108 -7.9108 -7.9108 -7.9108 -7.8695 -7.8695 -7.8695 -7.8695 -6.8461 -6.8461 -6.8461 -6.8461 -0.6402 -0.6402 -0.6402 -0.6402 1.9763 1.9763 1.9763 1.9763 2.9349 2.9349 2.9349 2.9349 3.0760 3.0760 3.0760 3.0760 3.7154 3.7154 3.7154 3.7154 4.7715 4.7715 4.7715 4.7715 5.4114 5.4114 5.4114 5.4114 10.4525 10.4525 10.4525 10.4525 12.1682 12.1682 12.1682 12.1682 12.9420 12.9420 12.9420 12.9420 k = 0.5000 0.5000 0.0129 ( 4876 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5120 -10.5120 -10.5120 -10.5120 -10.4508 -10.4508 -10.4508 -10.4508 -8.0900 -8.0900 -8.0900 -8.0900 -7.9109 -7.9109 -7.9109 -7.9109 -7.8695 -7.8695 -7.8695 -7.8695 -6.8461 -6.8461 -6.8461 -6.8461 -0.6406 -0.6406 -0.6406 -0.6406 1.9749 1.9749 1.9749 1.9749 2.9371 2.9371 2.9371 2.9371 3.0789 3.0789 3.0789 3.0789 3.7154 3.7154 3.7154 3.7154 4.7694 4.7694 4.7694 4.7694 5.4093 5.4093 5.4093 5.4093 10.4526 10.4526 10.4526 10.4526 12.1677 12.1677 12.1677 12.1677 12.9419 12.9419 12.9419 12.9419 k = 0.5000 0.5000 0.0258 ( 4868 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5119 -10.5119 -10.5119 -10.5119 -10.4509 -10.4509 -10.4509 -10.4509 -8.0897 -8.0897 -8.0897 -8.0897 -7.9111 -7.9111 -7.9111 -7.9111 -7.8695 -7.8695 -7.8695 -7.8695 -6.8461 -6.8461 -6.8461 -6.8461 -0.6418 -0.6418 -0.6418 -0.6418 1.9711 1.9711 1.9711 1.9711 2.9436 2.9436 2.9436 2.9436 3.0875 3.0875 3.0875 3.0875 3.7154 3.7154 3.7154 3.7154 4.7633 4.7633 4.7633 4.7633 5.4030 5.4030 5.4030 5.4030 10.4527 10.4527 10.4527 10.4527 12.1664 12.1664 12.1664 12.1664 12.9419 12.9419 12.9419 12.9419 k = 0.5000 0.5000 0.0387 ( 4868 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5118 -10.5118 -10.5118 -10.5118 -10.4510 -10.4510 -10.4510 -10.4510 -8.0893 -8.0893 -8.0893 -8.0893 -7.9114 -7.9114 -7.9114 -7.9114 -7.8695 -7.8695 -7.8695 -7.8695 -6.8462 -6.8462 -6.8462 -6.8462 -0.6439 -0.6439 -0.6439 -0.6439 1.9647 1.9647 1.9647 1.9647 2.9544 2.9544 2.9544 2.9544 3.1017 3.1017 3.1017 3.1017 3.7154 3.7154 3.7154 3.7154 4.7530 4.7530 4.7530 4.7530 5.3925 5.3925 5.3925 5.3925 10.4529 10.4529 10.4529 10.4529 12.1641 12.1641 12.1641 12.1641 12.9420 12.9420 12.9420 12.9420 k = 0.5000 0.5000 0.0516 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5117 -10.5117 -10.5117 -10.5117 -10.4511 -10.4511 -10.4511 -10.4511 -8.0887 -8.0887 -8.0887 -8.0887 -7.9118 -7.9118 -7.9118 -7.9118 -7.8695 -7.8695 -7.8695 -7.8695 -6.8463 -6.8463 -6.8463 -6.8463 -0.6467 -0.6467 -0.6467 -0.6467 1.9563 1.9563 1.9563 1.9563 2.9694 2.9694 2.9694 2.9694 3.1212 3.1212 3.1212 3.1212 3.7154 3.7154 3.7154 3.7154 4.7388 4.7388 4.7388 4.7388 5.3781 5.3781 5.3781 5.3781 10.4532 10.4532 10.4532 10.4532 12.1609 12.1609 12.1609 12.1609 12.9422 12.9422 12.9422 12.9422 k = 0.5000 0.5000 0.0645 ( 4852 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5114 -10.5114 -10.5114 -10.5114 -10.4513 -10.4513 -10.4513 -10.4513 -8.0880 -8.0880 -8.0880 -8.0880 -7.9124 -7.9124 -7.9124 -7.9124 -7.8696 -7.8696 -7.8696 -7.8696 -6.8465 -6.8465 -6.8465 -6.8465 -0.6502 -0.6502 -0.6502 -0.6502 1.9460 1.9460 1.9460 1.9460 2.9882 2.9882 2.9882 2.9882 3.1456 3.1456 3.1456 3.1456 3.7155 3.7155 3.7155 3.7155 4.7206 4.7206 4.7206 4.7206 5.3598 5.3598 5.3598 5.3598 10.4536 10.4536 10.4536 10.4536 12.1568 12.1568 12.1568 12.1568 12.9429 12.9429 12.9429 12.9429 k = 0.5000 0.5000 0.0774 ( 4840 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5112 -10.5112 -10.5112 -10.5112 -10.4515 -10.4515 -10.4515 -10.4515 -8.0872 -8.0872 -8.0872 -8.0872 -7.9130 -7.9130 -7.9130 -7.9130 -7.8696 -7.8696 -7.8696 -7.8696 -6.8466 -6.8466 -6.8466 -6.8466 -0.6543 -0.6543 -0.6543 -0.6543 1.9342 1.9342 1.9342 1.9342 3.0108 3.0108 3.0108 3.0108 3.1747 3.1747 3.1747 3.1747 3.7155 3.7155 3.7155 3.7155 4.6987 4.6987 4.6987 4.6987 5.3379 5.3379 5.3379 5.3379 10.4541 10.4541 10.4541 10.4541 12.1518 12.1518 12.1518 12.1518 12.9441 12.9441 12.9441 12.9441 k = 0.5000 0.5000 0.0902 ( 4852 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5109 -10.5109 -10.5109 -10.5109 -10.4518 -10.4518 -10.4518 -10.4518 -8.0862 -8.0862 -8.0862 -8.0862 -7.9138 -7.9138 -7.9138 -7.9138 -7.8697 -7.8697 -7.8697 -7.8697 -6.8468 -6.8468 -6.8468 -6.8468 -0.6589 -0.6589 -0.6589 -0.6589 1.9213 1.9213 1.9213 1.9213 3.0366 3.0366 3.0366 3.0366 3.2080 3.2080 3.2080 3.2080 3.7155 3.7155 3.7155 3.7155 4.6730 4.6730 4.6730 4.6730 5.3126 5.3126 5.3126 5.3126 10.4545 10.4545 10.4545 10.4545 12.1459 12.1459 12.1459 12.1459 12.9459 12.9459 12.9459 12.9459 k = 0.5000 0.5000 0.1031 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5106 -10.5106 -10.5106 -10.5106 -10.4521 -10.4521 -10.4521 -10.4521 -8.0851 -8.0851 -8.0851 -8.0851 -7.9147 -7.9147 -7.9147 -7.9147 -7.8697 -7.8697 -7.8697 -7.8697 -6.8471 -6.8471 -6.8471 -6.8471 -0.6639 -0.6639 -0.6639 -0.6639 1.9078 1.9078 1.9078 1.9078 3.0656 3.0656 3.0656 3.0656 3.2451 3.2451 3.2451 3.2451 3.7155 3.7155 3.7155 3.7155 4.6439 4.6439 4.6439 4.6439 5.2842 5.2842 5.2842 5.2842 10.4550 10.4550 10.4550 10.4550 12.1393 12.1393 12.1393 12.1393 12.9486 12.9486 12.9486 12.9486 k = 0.5000 0.5000 0.1160 ( 4852 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5103 -10.5103 -10.5103 -10.5103 -10.4524 -10.4524 -10.4524 -10.4524 -8.0840 -8.0840 -8.0840 -8.0840 -7.9156 -7.9156 -7.9156 -7.9156 -7.8698 -7.8698 -7.8698 -7.8698 -6.8473 -6.8473 -6.8473 -6.8473 -0.6692 -0.6692 -0.6692 -0.6692 1.8938 1.8938 1.8938 1.8938 3.0971 3.0971 3.0971 3.0971 3.2855 3.2855 3.2855 3.2855 3.7156 3.7156 3.7156 3.7156 4.6114 4.6114 4.6114 4.6114 5.2532 5.2532 5.2532 5.2532 10.4556 10.4556 10.4556 10.4556 12.1319 12.1319 12.1319 12.1319 12.9521 12.9521 12.9521 12.9521 k = 0.5000 0.5000 0.1289 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5099 -10.5099 -10.5099 -10.5099 -10.4528 -10.4528 -10.4528 -10.4528 -8.0827 -8.0827 -8.0827 -8.0827 -7.9166 -7.9166 -7.9166 -7.9166 -7.8699 -7.8699 -7.8699 -7.8699 -6.8475 -6.8475 -6.8475 -6.8475 -0.6747 -0.6747 -0.6747 -0.6747 1.8798 1.8798 1.8798 1.8798 3.1309 3.1309 3.1309 3.1309 3.3290 3.3290 3.3290 3.3290 3.7156 3.7156 3.7156 3.7156 4.5757 4.5757 4.5758 4.5758 5.2199 5.2199 5.2199 5.2199 10.4561 10.4561 10.4561 10.4561 12.1240 12.1240 12.1241 12.1241 12.9565 12.9565 12.9565 12.9565 k = 0.5000 0.5000 0.1418 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5096 -10.5096 -10.5096 -10.5096 -10.4531 -10.4531 -10.4531 -10.4531 -8.0815 -8.0815 -8.0815 -8.0815 -7.9176 -7.9176 -7.9176 -7.9176 -7.8699 -7.8699 -7.8699 -7.8699 -6.8478 -6.8478 -6.8478 -6.8478 -0.6803 -0.6803 -0.6803 -0.6803 1.8660 1.8660 1.8660 1.8660 3.1664 3.1664 3.1664 3.1664 3.3750 3.3750 3.3750 3.3750 3.7157 3.7157 3.7157 3.7157 4.5371 4.5371 4.5371 4.5371 5.1849 5.1849 5.1849 5.1849 10.4566 10.4566 10.4566 10.4566 12.1158 12.1158 12.1158 12.1158 12.9616 12.9616 12.9616 12.9616 k = 0.5000 0.5000 0.1547 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5092 -10.5092 -10.5092 -10.5092 -10.4534 -10.4534 -10.4534 -10.4534 -8.0802 -8.0802 -8.0802 -8.0802 -7.9187 -7.9187 -7.9187 -7.9187 -7.8700 -7.8700 -7.8700 -7.8700 -6.8480 -6.8480 -6.8480 -6.8480 -0.6859 -0.6859 -0.6859 -0.6859 1.8527 1.8527 1.8528 1.8528 3.2031 3.2031 3.2031 3.2031 3.4232 3.4232 3.4232 3.4232 3.7158 3.7158 3.7158 3.7158 4.4958 4.4958 4.4958 4.4958 5.1487 5.1487 5.1487 5.1487 10.4571 10.4571 10.4571 10.4571 12.1074 12.1074 12.1074 12.1074 12.9673 12.9673 12.9673 12.9673 k = 0.5000 0.5000 0.1676 ( 4872 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5089 -10.5089 -10.5089 -10.5089 -10.4538 -10.4538 -10.4538 -10.4538 -8.0789 -8.0789 -8.0789 -8.0789 -7.9197 -7.9197 -7.9197 -7.9197 -7.8700 -7.8700 -7.8700 -7.8700 -6.8483 -6.8483 -6.8483 -6.8483 -0.6913 -0.6913 -0.6913 -0.6913 1.8402 1.8402 1.8402 1.8402 3.2403 3.2403 3.2403 3.2403 3.4734 3.4734 3.4734 3.4734 3.7160 3.7160 3.7160 3.7160 4.4519 4.4519 4.4519 4.4519 5.1120 5.1120 5.1120 5.1120 10.4576 10.4576 10.4576 10.4576 12.0990 12.0990 12.0990 12.0990 12.9735 12.9735 12.9735 12.9735 k = 0.5000 0.5000 0.1805 ( 4864 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5085 -10.5085 -10.5085 -10.5085 -10.4541 -10.4541 -10.4541 -10.4541 -8.0777 -8.0777 -8.0777 -8.0777 -7.9207 -7.9207 -7.9207 -7.9207 -7.8701 -7.8701 -7.8701 -7.8701 -6.8485 -6.8485 -6.8485 -6.8485 -0.6964 -0.6964 -0.6964 -0.6964 1.8284 1.8284 1.8284 1.8284 3.2773 3.2773 3.2773 3.2773 3.5251 3.5251 3.5251 3.5251 3.7162 3.7162 3.7162 3.7162 4.4058 4.4058 4.4058 4.4058 5.0755 5.0755 5.0755 5.0755 10.4580 10.4580 10.4580 10.4580 12.0908 12.0908 12.0909 12.0909 12.9800 12.9800 12.9800 12.9800 k = 0.5000 0.5000 0.1934 ( 4864 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5082 -10.5082 -10.5082 -10.5082 -10.4544 -10.4544 -10.4544 -10.4544 -8.0765 -8.0765 -8.0765 -8.0765 -7.9217 -7.9217 -7.9217 -7.9217 -7.8701 -7.8701 -7.8701 -7.8701 -6.8487 -6.8487 -6.8487 -6.8487 -0.7012 -0.7012 -0.7012 -0.7012 1.8178 1.8178 1.8178 1.8178 3.3133 3.3133 3.3133 3.3133 3.5780 3.5780 3.5780 3.5780 3.7166 3.7166 3.7166 3.7166 4.3576 4.3576 4.3576 4.3576 5.0399 5.0399 5.0399 5.0399 10.4584 10.4584 10.4584 10.4584 12.0831 12.0831 12.0831 12.0831 12.9864 12.9864 12.9864 12.9864 k = 0.5000 0.5000 0.2063 ( 4856 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5078 -10.5078 -10.5078 -10.5078 -10.4547 -10.4547 -10.4547 -10.4547 -8.0754 -8.0754 -8.0754 -8.0754 -7.9226 -7.9226 -7.9226 -7.9226 -7.8701 -7.8701 -7.8701 -7.8701 -6.8489 -6.8489 -6.8489 -6.8489 -0.7056 -0.7056 -0.7056 -0.7056 1.8083 1.8083 1.8083 1.8083 3.3475 3.3475 3.3475 3.3475 3.6314 3.6314 3.6314 3.6314 3.7174 3.7174 3.7174 3.7174 4.3076 4.3076 4.3076 4.3076 5.0062 5.0062 5.0062 5.0062 10.4587 10.4587 10.4587 10.4587 12.0760 12.0760 12.0760 12.0760 12.9926 12.9926 12.9926 12.9926 k = 0.5000 0.5000 0.2192 ( 4856 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5076 -10.5076 -10.5076 -10.5076 -10.4550 -10.4550 -10.4550 -10.4550 -8.0744 -8.0744 -8.0744 -8.0744 -7.9234 -7.9234 -7.9234 -7.9234 -7.8702 -7.8702 -7.8702 -7.8702 -6.8491 -6.8491 -6.8491 -6.8491 -0.7094 -0.7094 -0.7094 -0.7094 1.8001 1.8001 1.8001 1.8001 3.3789 3.3789 3.3789 3.3789 3.6831 3.6831 3.6831 3.6831 3.7207 3.7207 3.7207 3.7207 4.2562 4.2562 4.2562 4.2562 4.9753 4.9753 4.9753 4.9753 10.4590 10.4590 10.4590 10.4590 12.0697 12.0697 12.0697 12.0697 12.9984 12.9984 12.9984 12.9984 k = 0.5000 0.5000 0.2321 ( 4844 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5073 -10.5073 -10.5073 -10.5073 -10.4552 -10.4552 -10.4552 -10.4552 -8.0736 -8.0736 -8.0736 -8.0736 -7.9241 -7.9241 -7.9241 -7.9241 -7.8702 -7.8702 -7.8702 -7.8702 -6.8492 -6.8492 -6.8492 -6.8492 -0.7126 -0.7126 -0.7126 -0.7126 1.7933 1.7933 1.7933 1.7933 3.4064 3.4064 3.4064 3.4064 3.7103 3.7103 3.7103 3.7103 3.7490 3.7490 3.7490 3.7490 4.2037 4.2037 4.2037 4.2037 4.9481 4.9481 4.9481 4.9481 10.4592 10.4592 10.4592 10.4592 12.0643 12.0643 12.0643 12.0643 13.0034 13.0034 13.0034 13.0034 k = 0.5000 0.5000 0.2450 ( 4860 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5071 -10.5071 -10.5071 -10.5071 -10.4554 -10.4554 -10.4554 -10.4554 -8.0729 -8.0729 -8.0729 -8.0729 -7.9247 -7.9247 -7.9247 -7.9247 -7.8702 -7.8702 -7.8702 -7.8702 -6.8494 -6.8494 -6.8494 -6.8494 -0.7152 -0.7152 -0.7152 -0.7152 1.7879 1.7879 1.7879 1.7879 3.4291 3.4291 3.4291 3.4291 3.7135 3.7135 3.7135 3.7135 3.8012 3.8012 3.8013 3.8013 4.1505 4.1505 4.1505 4.1505 4.9257 4.9257 4.9257 4.9257 10.4594 10.4594 10.4594 10.4594 12.0600 12.0600 12.0600 12.0600 13.0075 13.0075 13.0075 13.0075 k = 0.5000 0.5000 0.2578 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5070 -10.5070 -10.5070 -10.5070 -10.4555 -10.4555 -10.4555 -10.4555 -8.0724 -8.0724 -8.0724 -8.0724 -7.9251 -7.9251 -7.9251 -7.9251 -7.8702 -7.8702 -7.8702 -7.8702 -6.8495 -6.8495 -6.8495 -6.8495 -0.7170 -0.7170 -0.7170 -0.7170 1.7840 1.7840 1.7840 1.7840 3.4461 3.4461 3.4461 3.4461 3.7142 3.7142 3.7142 3.7142 3.8549 3.8549 3.8549 3.8549 4.0977 4.0977 4.0977 4.0977 4.9090 4.9090 4.9090 4.9090 10.4595 10.4595 10.4595 10.4595 12.0569 12.0569 12.0569 12.0569 13.0106 13.0106 13.0106 13.0106 k = 0.5000 0.5000 0.2707 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5069 -10.5069 -10.5069 -10.5069 -10.4556 -10.4556 -10.4556 -10.4556 -8.0721 -8.0721 -8.0721 -8.0721 -7.9253 -7.9253 -7.9253 -7.9253 -7.8702 -7.8702 -7.8702 -7.8702 -6.8495 -6.8495 -6.8495 -6.8495 -0.7182 -0.7182 -0.7182 -0.7182 1.7816 1.7816 1.7816 1.7816 3.4566 3.4566 3.4566 3.4566 3.7145 3.7145 3.7145 3.7145 3.9048 3.9048 3.9048 3.9048 4.0484 4.0484 4.0484 4.0484 4.8986 4.8986 4.8986 4.8986 10.4596 10.4596 10.4596 10.4596 12.0550 12.0550 12.0550 12.0550 13.0125 13.0125 13.0125 13.0125 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -15.6222 -15.6222 -15.6222 -15.6222 -10.5069 -10.5069 -10.5069 -10.5069 -10.4556 -10.4556 -10.4556 -10.4556 -8.0720 -8.0720 -8.0720 -8.0720 -7.9254 -7.9254 -7.9254 -7.9254 -7.8703 -7.8703 -7.8703 -7.8703 -6.8495 -6.8495 -6.8495 -6.8495 -0.7186 -0.7186 -0.7186 -0.7186 1.7809 1.7809 1.7809 1.7809 3.4602 3.4602 3.4602 3.4602 3.7146 3.7146 3.7146 3.7146 3.9327 3.9327 3.9327 3.9327 4.0207 4.0207 4.0207 4.0207 4.8951 4.8951 4.8951 4.8951 10.4596 10.4596 10.4596 10.4596 12.0543 12.0543 12.0543 12.0543 13.0131 13.0131 13.0131 13.0131 Writing output data file PbClF.save init_run : 0.29s CPU 0.48s WALL ( 1 calls) electrons : 165.66s CPU 169.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 165.65s CPU 169.19s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 341 calls) cegterg : 152.26s CPU 154.28s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 81.96s CPU 83.54s WALL ( 5591 calls) s_psi : 6.76s CPU 6.79s WALL ( 5591 calls) g_psi : 0.24s CPU 0.30s WALL ( 4872 calls) cdiaghg : 50.91s CPU 51.58s WALL ( 5213 calls) cegterg:over : 9.00s CPU 8.94s WALL ( 4872 calls) cegterg:upda : 6.76s CPU 6.73s WALL ( 4872 calls) cegterg:last : 4.16s CPU 4.22s WALL ( 1060 calls) cdiaghg:chol : 2.80s CPU 3.01s WALL ( 5213 calls) cdiaghg:inve : 2.16s CPU 2.14s WALL ( 5213 calls) cdiaghg:para : 3.43s CPU 3.48s WALL ( 10426 calls) Called by h_psi: h_psi:vloc : 66.73s CPU 68.04s WALL ( 5591 calls) h_psi:vnl : 14.91s CPU 15.20s WALL ( 5591 calls) add_vuspsi : 7.74s CPU 7.99s WALL ( 5591 calls) General routines calbec : 7.16s CPU 7.20s WALL ( 5591 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 61.88s CPU 63.26s WALL ( 888824 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.32s WALL ( 682 calls) Parallel routines fft_scatter : 24.82s CPU 25.82s WALL ( 888847 calls) PWSCF : 3m 8.10s CPU 3m40.34s WALL This run was terminated on: 17: 5:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=