Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:19:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 29 8 1854 813 126 Max 51 30 9 1861 834 131 Sum 2433 1421 409 89179 39457 6155 bravais-lattice index = 14 lattice parameter (alat) = 10.2784 a.u. unit-cell volume = 904.8628 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.278441 celldm(2)= 1.000000 celldm(3)= 0.932872 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.449536 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.449536 0.893262 0.000000 ) a(3) = ( 0.000000 0.000000 0.932872 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.503252 -0.000000 ) b(2) = ( 0.000000 1.119492 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071958 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4664360 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0090773 0.0147302 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0181546 0.0294603 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0272320 0.0441905 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0363093 0.0589206 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0453866 0.0736508 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0544639 0.0883810 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0635412 0.1031111 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0726185 0.1178413 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0816958 0.1325714 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0907731 0.1473016 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0998505 0.1620318 -0.0000000), wk = 0.0028090 k( 13) = ( 0.1089278 0.1767619 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1180051 0.1914921 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1270824 0.2062222 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1361597 0.2209524 -0.0000000), wk = 0.0028090 k( 17) = ( 0.1452370 0.2356825 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1543144 0.2504127 -0.0000000), wk = 0.0028090 k( 19) = ( 0.1633917 0.2651429 -0.0000000), wk = 0.0028090 k( 20) = ( 0.1724690 0.2798730 -0.0000000), wk = 0.0028090 k( 21) = ( 0.1815463 0.2946032 -0.0000000), wk = 0.0028090 k( 22) = ( 0.1906236 0.3093333 -0.0000000), wk = 0.0028090 k( 23) = ( 0.1997009 0.3240635 -0.0000000), wk = 0.0028090 k( 24) = ( 0.2087782 0.3387937 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2178556 0.3535238 -0.0000000), wk = 0.0028090 k( 26) = ( 0.2269329 0.3682540 -0.0000000), wk = 0.0028090 k( 27) = ( 0.2360102 0.3829841 -0.0000000), wk = 0.0028090 k( 28) = ( 0.2450875 0.3977143 -0.0000000), wk = 0.0028090 k( 29) = ( 0.2541648 0.4124445 -0.0000000), wk = 0.0028090 k( 30) = ( 0.2632421 0.4271746 -0.0000000), wk = 0.0028090 k( 31) = ( 0.2723195 0.4419048 -0.0000000), wk = 0.0028090 k( 32) = ( 0.2813968 0.4566349 -0.0000000), wk = 0.0028090 k( 33) = ( 0.2904741 0.4713651 -0.0000000), wk = 0.0028090 k( 34) = ( 0.2995514 0.4860952 -0.0000000), wk = 0.0028090 k( 35) = ( 0.3086287 0.5008254 -0.0000000), wk = 0.0028090 k( 36) = ( 0.3177060 0.5155556 -0.0000000), wk = 0.0028090 k( 37) = ( 0.3267833 0.5302857 -0.0000000), wk = 0.0028090 k( 38) = ( 0.3358607 0.5450159 -0.0000000), wk = 0.0028090 k( 39) = ( 0.3449380 0.5597460 -0.0000000), wk = 0.0028090 k( 40) = ( 0.3449380 0.5597460 -0.0000000), wk = 0.0028090 k( 41) = ( 0.3276911 0.5597460 -0.0000000), wk = 0.0028090 k( 42) = ( 0.3104442 0.5597460 -0.0000000), wk = 0.0028090 k( 43) = ( 0.2931973 0.5597460 -0.0000000), wk = 0.0028090 k( 44) = ( 0.2759504 0.5597460 -0.0000000), wk = 0.0028090 k( 45) = ( 0.2587035 0.5597460 -0.0000000), wk = 0.0028090 k( 46) = ( 0.2414566 0.5597460 -0.0000000), wk = 0.0028090 k( 47) = ( 0.2242097 0.5597460 -0.0000000), wk = 0.0028090 k( 48) = ( 0.2069628 0.5597460 -0.0000000), wk = 0.0028090 k( 49) = ( 0.1897159 0.5597460 -0.0000000), wk = 0.0028090 k( 50) = ( 0.1724690 0.5597460 -0.0000000), wk = 0.0028090 k( 51) = ( 0.1552221 0.5597460 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1379752 0.5597460 -0.0000000), wk = 0.0028090 k( 53) = ( 0.1207283 0.5597460 -0.0000000), wk = 0.0028090 k( 54) = ( 0.1034814 0.5597460 -0.0000000), wk = 0.0028090 k( 55) = ( 0.0862345 0.5597460 -0.0000000), wk = 0.0028090 k( 56) = ( 0.0689876 0.5597460 -0.0000000), wk = 0.0028090 k( 57) = ( 0.0517407 0.5597460 -0.0000000), wk = 0.0028090 k( 58) = ( 0.0344938 0.5597460 -0.0000000), wk = 0.0028090 k( 59) = ( 0.0172469 0.5597460 -0.0000000), wk = 0.0028090 k( 60) = ( 0.0000000 0.5597460 -0.0000000), wk = 0.0028090 k( 61) = ( 0.0000000 0.5597460 -0.0000000), wk = 0.0028090 k( 62) = ( 0.0000000 0.5597460 0.0172896), wk = 0.0028090 k( 63) = ( 0.0000000 0.5597460 0.0345793), wk = 0.0028090 k( 64) = ( 0.0000000 0.5597460 0.0518690), wk = 0.0028090 k( 65) = ( 0.0000000 0.5597460 0.0691586), wk = 0.0028090 k( 66) = ( 0.0000000 0.5597460 0.0864483), wk = 0.0028090 k( 67) = ( 0.0000000 0.5597460 0.1037379), wk = 0.0028090 k( 68) = ( 0.0000000 0.5597460 0.1210276), wk = 0.0028090 k( 69) = ( 0.0000000 0.5597460 0.1383172), wk = 0.0028090 k( 70) = ( 0.0000000 0.5597460 0.1556069), wk = 0.0028090 k( 71) = ( 0.0000000 0.5597460 0.1728965), wk = 0.0028090 k( 72) = ( 0.0000000 0.5597460 0.1901862), wk = 0.0028090 k( 73) = ( 0.0000000 0.5597460 0.2074758), wk = 0.0028090 k( 74) = ( 0.0000000 0.5597460 0.2247655), wk = 0.0028090 k( 75) = ( 0.0000000 0.5597460 0.2420551), wk = 0.0028090 k( 76) = ( 0.0000000 0.5597460 0.2593448), wk = 0.0028090 k( 77) = ( 0.0000000 0.5597460 0.2766344), wk = 0.0028090 k( 78) = ( 0.0000000 0.5597460 0.2939241), wk = 0.0028090 k( 79) = ( 0.0000000 0.5597460 0.3112137), wk = 0.0028090 k( 80) = ( 0.0000000 0.5597460 0.3285034), wk = 0.0028090 k( 81) = ( 0.0000000 0.5597460 0.3457930), wk = 0.0028090 k( 82) = ( 0.0000000 0.5597460 0.3630827), wk = 0.0028090 k( 83) = ( 0.0000000 0.5597460 0.3803723), wk = 0.0028090 k( 84) = ( 0.0000000 0.5597460 0.3976620), wk = 0.0028090 k( 85) = ( 0.0000000 0.5597460 0.4149516), wk = 0.0028090 k( 86) = ( 0.0000000 0.5597460 0.4322413), wk = 0.0028090 k( 87) = ( 0.0000000 0.5597460 0.4495309), wk = 0.0028090 k( 88) = ( 0.0000000 0.5597460 0.4668206), wk = 0.0028090 k( 89) = ( 0.0000000 0.5597460 0.4841102), wk = 0.0028090 k( 90) = ( 0.0000000 0.5597460 0.5013999), wk = 0.0028090 k( 91) = ( 0.0000000 0.5597460 0.5186895), wk = 0.0028090 k( 92) = ( 0.0000000 0.5597460 0.5359792), wk = 0.0028090 k( 93) = ( 0.0000000 0.5597460 0.5359792), wk = 0.0028090 k( 94) = ( 0.0172469 0.5597460 0.5359792), wk = 0.0028090 k( 95) = ( 0.0344938 0.5597460 0.5359792), wk = 0.0028090 k( 96) = ( 0.0517407 0.5597460 0.5359792), wk = 0.0028090 k( 97) = ( 0.0689876 0.5597460 0.5359792), wk = 0.0028090 k( 98) = ( 0.0862345 0.5597460 0.5359792), wk = 0.0028090 k( 99) = ( 0.1034814 0.5597460 0.5359792), wk = 0.0028090 k( 100) = ( 0.1207283 0.5597460 0.5359792), wk = 0.0028090 k( 101) = ( 0.1379752 0.5597460 0.5359792), wk = 0.0028090 k( 102) = ( 0.1552221 0.5597460 0.5359792), wk = 0.0028090 k( 103) = ( 0.1724690 0.5597460 0.5359792), wk = 0.0028090 k( 104) = ( 0.1897159 0.5597460 0.5359792), wk = 0.0028090 k( 105) = ( 0.2069628 0.5597460 0.5359792), wk = 0.0028090 k( 106) = ( 0.2242097 0.5597460 0.5359792), wk = 0.0028090 k( 107) = ( 0.2414566 0.5597460 0.5359792), wk = 0.0028090 k( 108) = ( 0.2587035 0.5597460 0.5359792), wk = 0.0028090 k( 109) = ( 0.2759504 0.5597460 0.5359792), wk = 0.0028090 k( 110) = ( 0.2931973 0.5597460 0.5359792), wk = 0.0028090 k( 111) = ( 0.3104442 0.5597460 0.5359792), wk = 0.0028090 k( 112) = ( 0.3276911 0.5597460 0.5359792), wk = 0.0028090 k( 113) = ( 0.3449380 0.5597460 0.5359792), wk = 0.0028090 k( 114) = ( 0.3449380 0.5597460 0.5359792), wk = 0.0028090 k( 115) = ( 0.3358607 0.5450159 0.5359792), wk = 0.0028090 k( 116) = ( 0.3267833 0.5302857 0.5359792), wk = 0.0028090 k( 117) = ( 0.3177060 0.5155556 0.5359792), wk = 0.0028090 k( 118) = ( 0.3086287 0.5008254 0.5359792), wk = 0.0028090 k( 119) = ( 0.2995514 0.4860952 0.5359792), wk = 0.0028090 k( 120) = ( 0.2904741 0.4713651 0.5359792), wk = 0.0028090 k( 121) = ( 0.2813968 0.4566349 0.5359792), wk = 0.0028090 k( 122) = ( 0.2723195 0.4419048 0.5359792), wk = 0.0028090 k( 123) = ( 0.2632421 0.4271746 0.5359792), wk = 0.0028090 k( 124) = ( 0.2541648 0.4124445 0.5359792), wk = 0.0028090 k( 125) = ( 0.2450875 0.3977143 0.5359792), wk = 0.0028090 k( 126) = ( 0.2360102 0.3829841 0.5359792), wk = 0.0028090 k( 127) = ( 0.2269329 0.3682540 0.5359792), wk = 0.0028090 k( 128) = ( 0.2178556 0.3535238 0.5359792), wk = 0.0028090 k( 129) = ( 0.2087782 0.3387937 0.5359792), wk = 0.0028090 k( 130) = ( 0.1997009 0.3240635 0.5359792), wk = 0.0028090 k( 131) = ( 0.1906236 0.3093333 0.5359792), wk = 0.0028090 k( 132) = ( 0.1815463 0.2946032 0.5359792), wk = 0.0028090 k( 133) = ( 0.1724690 0.2798730 0.5359792), wk = 0.0028090 k( 134) = ( 0.1633917 0.2651429 0.5359792), wk = 0.0028090 k( 135) = ( 0.1543144 0.2504127 0.5359792), wk = 0.0028090 k( 136) = ( 0.1452370 0.2356825 0.5359792), wk = 0.0028090 k( 137) = ( 0.1361597 0.2209524 0.5359792), wk = 0.0028090 k( 138) = ( 0.1270824 0.2062222 0.5359792), wk = 0.0028090 k( 139) = ( 0.1180051 0.1914921 0.5359792), wk = 0.0028090 k( 140) = ( 0.1089278 0.1767619 0.5359792), wk = 0.0028090 k( 141) = ( 0.0998505 0.1620318 0.5359792), wk = 0.0028090 k( 142) = ( 0.0907731 0.1473016 0.5359792), wk = 0.0028090 k( 143) = ( 0.0816958 0.1325714 0.5359792), wk = 0.0028090 k( 144) = ( 0.0726185 0.1178413 0.5359792), wk = 0.0028090 k( 145) = ( 0.0635412 0.1031111 0.5359792), wk = 0.0028090 k( 146) = ( 0.0544639 0.0883810 0.5359792), wk = 0.0028090 k( 147) = ( 0.0453866 0.0736508 0.5359792), wk = 0.0028090 k( 148) = ( 0.0363093 0.0589206 0.5359792), wk = 0.0028090 k( 149) = ( 0.0272320 0.0441905 0.5359792), wk = 0.0028090 k( 150) = ( 0.0181546 0.0294603 0.5359792), wk = 0.0028090 k( 151) = ( 0.0090773 0.0147302 0.5359792), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.5359792), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.5359792), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.5186895), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.5013999), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.4841102), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.4668206), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.4495309), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.4322413), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.4149516), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.3976620), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.3803723), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.3630827), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3457930), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3285034), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.3112137), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.2939241), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.2766344), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.2593448), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.2420551), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.2247655), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.2074758), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.1901862), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.1728965), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.1556069), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.1383172), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.1210276), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.1037379), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0864483), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0691586), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0518690), wk = 0.0028090 k( 182) = ( 0.0000000 0.0000000 0.0345793), wk = 0.0028090 k( 183) = ( 0.0000000 0.0000000 0.0172896), wk = 0.0028090 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 186) = ( -0.0147059 0.0090624 0.0000000), wk = 0.0028090 k( 187) = ( -0.0294118 0.0181247 0.0000000), wk = 0.0028090 k( 188) = ( -0.0441177 0.0271871 0.0000000), wk = 0.0028090 k( 189) = ( -0.0588235 0.0362494 0.0000000), wk = 0.0028090 k( 190) = ( -0.0735294 0.0453118 0.0000000), wk = 0.0028090 k( 191) = ( -0.0882353 0.0543741 0.0000000), wk = 0.0028090 k( 192) = ( -0.1029412 0.0634365 0.0000000), wk = 0.0028090 k( 193) = ( -0.1176471 0.0724988 0.0000000), wk = 0.0028090 k( 194) = ( -0.1323529 0.0815612 0.0000000), wk = 0.0028090 k( 195) = ( -0.1470588 0.0906235 0.0000000), wk = 0.0028090 k( 196) = ( -0.1617647 0.0996859 0.0000000), wk = 0.0028090 k( 197) = ( -0.1764706 0.1087483 0.0000000), wk = 0.0028090 k( 198) = ( -0.1911765 0.1178106 0.0000000), wk = 0.0028090 k( 199) = ( -0.2058823 0.1268730 0.0000000), wk = 0.0028090 k( 200) = ( -0.2205882 0.1359353 0.0000000), wk = 0.0028090 k( 201) = ( -0.2352941 0.1449977 0.0000000), wk = 0.0028090 k( 202) = ( -0.2500000 0.1540600 0.0000000), wk = 0.0028090 k( 203) = ( -0.2647059 0.1631224 0.0000000), wk = 0.0028090 k( 204) = ( -0.2794118 0.1721847 0.0000000), wk = 0.0028090 k( 205) = ( -0.2941177 0.1812471 0.0000000), wk = 0.0028090 k( 206) = ( -0.3088235 0.1903095 0.0000000), wk = 0.0028090 k( 207) = ( -0.3235294 0.1993718 0.0000000), wk = 0.0028090 k( 208) = ( -0.3382353 0.2084342 0.0000000), wk = 0.0028090 k( 209) = ( -0.3529412 0.2174965 0.0000000), wk = 0.0028090 k( 210) = ( -0.3676471 0.2265589 0.0000000), wk = 0.0028090 k( 211) = ( -0.3823529 0.2356212 0.0000000), wk = 0.0028090 k( 212) = ( -0.3970588 0.2446836 0.0000000), wk = 0.0028090 k( 213) = ( -0.4117647 0.2537459 0.0000000), wk = 0.0028090 k( 214) = ( -0.4264706 0.2628083 0.0000000), wk = 0.0028090 k( 215) = ( -0.4411765 0.2718707 0.0000000), wk = 0.0028090 k( 216) = ( -0.4558823 0.2809330 0.0000000), wk = 0.0028090 k( 217) = ( -0.4705882 0.2899954 0.0000000), wk = 0.0028090 k( 218) = ( -0.4852941 0.2990577 0.0000000), wk = 0.0028090 k( 219) = ( -0.5000000 0.3081201 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.3081201 0.0000000), wk = 0.0028090 k( 221) = ( -0.4913854 0.3220993 -0.0000000), wk = 0.0028090 k( 222) = ( -0.4827709 0.3360785 -0.0000000), wk = 0.0028090 k( 223) = ( -0.4741563 0.3500577 -0.0000000), wk = 0.0028090 k( 224) = ( -0.4655418 0.3640370 -0.0000000), wk = 0.0028090 k( 225) = ( -0.4569272 0.3780162 -0.0000000), wk = 0.0028090 k( 226) = ( -0.4483127 0.3919954 -0.0000000), wk = 0.0028090 k( 227) = ( -0.4396981 0.4059746 -0.0000000), wk = 0.0028090 k( 228) = ( -0.4310835 0.4199538 -0.0000000), wk = 0.0028090 k( 229) = ( -0.4224690 0.4339331 -0.0000000), wk = 0.0028090 k( 230) = ( -0.4138544 0.4479123 -0.0000000), wk = 0.0028090 k( 231) = ( -0.4052399 0.4618915 -0.0000000), wk = 0.0028090 k( 232) = ( -0.3966253 0.4758707 -0.0000000), wk = 0.0028090 k( 233) = ( -0.3880108 0.4898499 -0.0000000), wk = 0.0028090 k( 234) = ( -0.3793962 0.5038291 -0.0000000), wk = 0.0028090 k( 235) = ( -0.3707817 0.5178084 -0.0000000), wk = 0.0028090 k( 236) = ( -0.3621671 0.5317876 -0.0000000), wk = 0.0028090 k( 237) = ( -0.3535525 0.5457668 -0.0000000), wk = 0.0028090 k( 238) = ( -0.3449380 0.5597460 -0.0000000), wk = 0.0028090 k( 239) = ( -0.3449380 0.5597460 -0.0000000), wk = 0.0028090 k( 240) = ( -0.3449380 0.5597460 0.0172896), wk = 0.0028090 k( 241) = ( -0.3449380 0.5597460 0.0345793), wk = 0.0028090 k( 242) = ( -0.3449380 0.5597460 0.0518690), wk = 0.0028090 k( 243) = ( -0.3449380 0.5597460 0.0691586), wk = 0.0028090 k( 244) = ( -0.3449380 0.5597460 0.0864483), wk = 0.0028090 k( 245) = ( -0.3449380 0.5597460 0.1037379), wk = 0.0028090 k( 246) = ( -0.3449380 0.5597460 0.1210276), wk = 0.0028090 k( 247) = ( -0.3449380 0.5597460 0.1383172), wk = 0.0028090 k( 248) = ( -0.3449380 0.5597460 0.1556069), wk = 0.0028090 k( 249) = ( -0.3449380 0.5597460 0.1728965), wk = 0.0028090 k( 250) = ( -0.3449380 0.5597460 0.1901862), wk = 0.0028090 k( 251) = ( -0.3449380 0.5597460 0.2074758), wk = 0.0028090 k( 252) = ( -0.3449380 0.5597460 0.2247655), wk = 0.0028090 k( 253) = ( -0.3449380 0.5597460 0.2420551), wk = 0.0028090 k( 254) = ( -0.3449380 0.5597460 0.2593448), wk = 0.0028090 k( 255) = ( -0.3449380 0.5597460 0.2766344), wk = 0.0028090 k( 256) = ( -0.3449380 0.5597460 0.2939241), wk = 0.0028090 k( 257) = ( -0.3449380 0.5597460 0.3112137), wk = 0.0028090 k( 258) = ( -0.3449380 0.5597460 0.3285034), wk = 0.0028090 k( 259) = ( -0.3449380 0.5597460 0.3457930), wk = 0.0028090 k( 260) = ( -0.3449380 0.5597460 0.3630827), wk = 0.0028090 k( 261) = ( -0.3449380 0.5597460 0.3803723), wk = 0.0028090 k( 262) = ( -0.3449380 0.5597460 0.3976620), wk = 0.0028090 k( 263) = ( -0.3449380 0.5597460 0.4149516), wk = 0.0028090 k( 264) = ( -0.3449380 0.5597460 0.4322413), wk = 0.0028090 k( 265) = ( -0.3449380 0.5597460 0.4495309), wk = 0.0028090 k( 266) = ( -0.3449380 0.5597460 0.4668206), wk = 0.0028090 k( 267) = ( -0.3449380 0.5597460 0.4841102), wk = 0.0028090 k( 268) = ( -0.3449380 0.5597460 0.5013999), wk = 0.0028090 k( 269) = ( -0.3449380 0.5597460 0.5186895), wk = 0.0028090 k( 270) = ( -0.3449380 0.5597460 0.5359792), wk = 0.0028090 k( 271) = ( -0.3449380 0.5597460 0.5359792), wk = 0.0028090 k( 272) = ( -0.3535525 0.5457668 0.5359792), wk = 0.0028090 k( 273) = ( -0.3621671 0.5317876 0.5359792), wk = 0.0028090 k( 274) = ( -0.3707817 0.5178084 0.5359792), wk = 0.0028090 k( 275) = ( -0.3793962 0.5038291 0.5359792), wk = 0.0028090 k( 276) = ( -0.3880108 0.4898499 0.5359792), wk = 0.0028090 k( 277) = ( -0.3966253 0.4758707 0.5359792), wk = 0.0028090 k( 278) = ( -0.4052399 0.4618915 0.5359792), wk = 0.0028090 k( 279) = ( -0.4138544 0.4479123 0.5359792), wk = 0.0028090 k( 280) = ( -0.4224690 0.4339331 0.5359792), wk = 0.0028090 k( 281) = ( -0.4310835 0.4199538 0.5359792), wk = 0.0028090 k( 282) = ( -0.4396981 0.4059746 0.5359792), wk = 0.0028090 k( 283) = ( -0.4483127 0.3919954 0.5359792), wk = 0.0028090 k( 284) = ( -0.4569272 0.3780162 0.5359792), wk = 0.0028090 k( 285) = ( -0.4655418 0.3640370 0.5359792), wk = 0.0028090 k( 286) = ( -0.4741563 0.3500577 0.5359792), wk = 0.0028090 k( 287) = ( -0.4827709 0.3360785 0.5359792), wk = 0.0028090 k( 288) = ( -0.4913854 0.3220993 0.5359792), wk = 0.0028090 k( 289) = ( -0.5000000 0.3081201 0.5359792), wk = 0.0028090 k( 290) = ( -0.5000000 0.3081201 0.5359792), wk = 0.0028090 k( 291) = ( -0.5000000 0.3081201 0.5186895), wk = 0.0028090 k( 292) = ( -0.5000000 0.3081201 0.5013999), wk = 0.0028090 k( 293) = ( -0.5000000 0.3081201 0.4841102), wk = 0.0028090 k( 294) = ( -0.5000000 0.3081201 0.4668206), wk = 0.0028090 k( 295) = ( -0.5000000 0.3081201 0.4495309), wk = 0.0028090 k( 296) = ( -0.5000000 0.3081201 0.4322413), wk = 0.0028090 k( 297) = ( -0.5000000 0.3081201 0.4149516), wk = 0.0028090 k( 298) = ( -0.5000000 0.3081201 0.3976620), wk = 0.0028090 k( 299) = ( -0.5000000 0.3081201 0.3803723), wk = 0.0028090 k( 300) = ( -0.5000000 0.3081201 0.3630827), wk = 0.0028090 k( 301) = ( -0.5000000 0.3081201 0.3457930), wk = 0.0028090 k( 302) = ( -0.5000000 0.3081201 0.3285034), wk = 0.0028090 k( 303) = ( -0.5000000 0.3081201 0.3112137), wk = 0.0028090 k( 304) = ( -0.5000000 0.3081201 0.2939241), wk = 0.0028090 k( 305) = ( -0.5000000 0.3081201 0.2766344), wk = 0.0028090 k( 306) = ( -0.5000000 0.3081201 0.2593448), wk = 0.0028090 k( 307) = ( -0.5000000 0.3081201 0.2420551), wk = 0.0028090 k( 308) = ( -0.5000000 0.3081201 0.2247655), wk = 0.0028090 k( 309) = ( -0.5000000 0.3081201 0.2074758), wk = 0.0028090 k( 310) = ( -0.5000000 0.3081201 0.1901862), wk = 0.0028090 k( 311) = ( -0.5000000 0.3081201 0.1728965), wk = 0.0028090 k( 312) = ( -0.5000000 0.3081201 0.1556069), wk = 0.0028090 k( 313) = ( -0.5000000 0.3081201 0.1383172), wk = 0.0028090 k( 314) = ( -0.5000000 0.3081201 0.1210276), wk = 0.0028090 k( 315) = ( -0.5000000 0.3081201 0.1037379), wk = 0.0028090 k( 316) = ( -0.5000000 0.3081201 0.0864483), wk = 0.0028090 k( 317) = ( -0.5000000 0.3081201 0.0691586), wk = 0.0028090 k( 318) = ( -0.5000000 0.3081201 0.0518690), wk = 0.0028090 k( 319) = ( -0.5000000 0.3081201 0.0345793), wk = 0.0028090 k( 320) = ( -0.5000000 0.3081201 0.0172896), wk = 0.0028090 k( 321) = ( -0.5000000 0.3081201 0.0000000), wk = 0.0028090 k( 322) = ( 0.0000000 0.0000000 0.5359792), wk = 0.0028090 k( 323) = ( -0.0147059 0.0090624 0.5359792), wk = 0.0028090 k( 324) = ( -0.0294118 0.0181247 0.5359792), wk = 0.0028090 k( 325) = ( -0.0441177 0.0271871 0.5359792), wk = 0.0028090 k( 326) = ( -0.0588235 0.0362494 0.5359792), wk = 0.0028090 k( 327) = ( -0.0735294 0.0453118 0.5359792), wk = 0.0028090 k( 328) = ( -0.0882353 0.0543741 0.5359792), wk = 0.0028090 k( 329) = ( -0.1029412 0.0634365 0.5359792), wk = 0.0028090 k( 330) = ( -0.1176471 0.0724988 0.5359792), wk = 0.0028090 k( 331) = ( -0.1323529 0.0815612 0.5359792), wk = 0.0028090 k( 332) = ( -0.1470588 0.0906235 0.5359792), wk = 0.0028090 k( 333) = ( -0.1617647 0.0996859 0.5359792), wk = 0.0028090 k( 334) = ( -0.1764706 0.1087483 0.5359792), wk = 0.0028090 k( 335) = ( -0.1911765 0.1178106 0.5359792), wk = 0.0028090 k( 336) = ( -0.2058823 0.1268730 0.5359792), wk = 0.0028090 k( 337) = ( -0.2205882 0.1359353 0.5359792), wk = 0.0028090 k( 338) = ( -0.2352941 0.1449977 0.5359792), wk = 0.0028090 k( 339) = ( -0.2500000 0.1540600 0.5359792), wk = 0.0028090 k( 340) = ( -0.2647059 0.1631224 0.5359792), wk = 0.0028090 k( 341) = ( -0.2794118 0.1721847 0.5359792), wk = 0.0028090 k( 342) = ( -0.2941177 0.1812471 0.5359792), wk = 0.0028090 k( 343) = ( -0.3088235 0.1903095 0.5359792), wk = 0.0028090 k( 344) = ( -0.3235294 0.1993718 0.5359792), wk = 0.0028090 k( 345) = ( -0.3382353 0.2084342 0.5359792), wk = 0.0028090 k( 346) = ( -0.3529412 0.2174965 0.5359792), wk = 0.0028090 k( 347) = ( -0.3676471 0.2265589 0.5359792), wk = 0.0028090 k( 348) = ( -0.3823529 0.2356212 0.5359792), wk = 0.0028090 k( 349) = ( -0.3970588 0.2446836 0.5359792), wk = 0.0028090 k( 350) = ( -0.4117647 0.2537459 0.5359792), wk = 0.0028090 k( 351) = ( -0.4264706 0.2628083 0.5359792), wk = 0.0028090 k( 352) = ( -0.4411765 0.2718707 0.5359792), wk = 0.0028090 k( 353) = ( -0.4558823 0.2809330 0.5359792), wk = 0.0028090 k( 354) = ( -0.4705882 0.2899954 0.5359792), wk = 0.0028090 k( 355) = ( -0.4852941 0.2990577 0.5359792), wk = 0.0028090 k( 356) = ( -0.5000000 0.3081201 0.5359792), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0090773 0.0090773 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0181546 0.0181546 0.0000000), wk = 0.0028090 k( 4) = ( 0.0272320 0.0272320 0.0000000), wk = 0.0028090 k( 5) = ( 0.0363093 0.0363093 0.0000000), wk = 0.0028090 k( 6) = ( 0.0453866 0.0453866 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0544639 0.0544639 0.0000000), wk = 0.0028090 k( 8) = ( 0.0635412 0.0635412 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0726185 0.0726185 0.0000000), wk = 0.0028090 k( 10) = ( 0.0816958 0.0816958 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0907731 0.0907732 0.0000000), wk = 0.0028090 k( 12) = ( 0.0998505 0.0998505 0.0000000), wk = 0.0028090 k( 13) = ( 0.1089278 0.1089278 0.0000000), wk = 0.0028090 k( 14) = ( 0.1180051 0.1180051 0.0000000), wk = 0.0028090 k( 15) = ( 0.1270824 0.1270824 0.0000000), wk = 0.0028090 k( 16) = ( 0.1361597 0.1361597 0.0000000), wk = 0.0028090 k( 17) = ( 0.1452370 0.1452370 0.0000000), wk = 0.0028090 k( 18) = ( 0.1543144 0.1543144 0.0000000), wk = 0.0028090 k( 19) = ( 0.1633917 0.1633917 0.0000000), wk = 0.0028090 k( 20) = ( 0.1724690 0.1724690 0.0000000), wk = 0.0028090 k( 21) = ( 0.1815463 0.1815463 0.0000000), wk = 0.0028090 k( 22) = ( 0.1906236 0.1906236 0.0000000), wk = 0.0028090 k( 23) = ( 0.1997009 0.1997009 0.0000000), wk = 0.0028090 k( 24) = ( 0.2087782 0.2087782 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2178556 0.2178556 0.0000000), wk = 0.0028090 k( 26) = ( 0.2269329 0.2269329 0.0000000), wk = 0.0028090 k( 27) = ( 0.2360102 0.2360102 0.0000000), wk = 0.0028090 k( 28) = ( 0.2450875 0.2450875 -0.0000000), wk = 0.0028090 k( 29) = ( 0.2541648 0.2541648 -0.0000000), wk = 0.0028090 k( 30) = ( 0.2632421 0.2632421 0.0000000), wk = 0.0028090 k( 31) = ( 0.2723195 0.2723195 0.0000000), wk = 0.0028090 k( 32) = ( 0.2813968 0.2813968 0.0000000), wk = 0.0028090 k( 33) = ( 0.2904741 0.2904741 -0.0000000), wk = 0.0028090 k( 34) = ( 0.2995514 0.2995514 0.0000000), wk = 0.0028090 k( 35) = ( 0.3086287 0.3086287 0.0000000), wk = 0.0028090 k( 36) = ( 0.3177060 0.3177060 0.0000000), wk = 0.0028090 k( 37) = ( 0.3267833 0.3267833 -0.0000000), wk = 0.0028090 k( 38) = ( 0.3358607 0.3358607 0.0000000), wk = 0.0028090 k( 39) = ( 0.3449380 0.3449380 0.0000000), wk = 0.0028090 k( 40) = ( 0.3449380 0.3449380 0.0000000), wk = 0.0028090 k( 41) = ( 0.3276911 0.3526911 0.0000000), wk = 0.0028090 k( 42) = ( 0.3104442 0.3604442 0.0000000), wk = 0.0028090 k( 43) = ( 0.2931973 0.3681973 -0.0000000), wk = 0.0028090 k( 44) = ( 0.2759504 0.3759504 0.0000000), wk = 0.0028090 k( 45) = ( 0.2587035 0.3837035 0.0000000), wk = 0.0028090 k( 46) = ( 0.2414566 0.3914566 0.0000000), wk = 0.0028090 k( 47) = ( 0.2242097 0.3992097 0.0000000), wk = 0.0028090 k( 48) = ( 0.2069628 0.4069628 0.0000000), wk = 0.0028090 k( 49) = ( 0.1897159 0.4147159 0.0000000), wk = 0.0028090 k( 50) = ( 0.1724690 0.4224690 0.0000000), wk = 0.0028090 k( 51) = ( 0.1552221 0.4302221 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1379752 0.4379752 0.0000000), wk = 0.0028090 k( 53) = ( 0.1207283 0.4457283 0.0000000), wk = 0.0028090 k( 54) = ( 0.1034814 0.4534814 0.0000000), wk = 0.0028090 k( 55) = ( 0.0862345 0.4612345 0.0000000), wk = 0.0028090 k( 56) = ( 0.0689876 0.4689876 0.0000000), wk = 0.0028090 k( 57) = ( 0.0517407 0.4767407 0.0000000), wk = 0.0028090 k( 58) = ( 0.0344938 0.4844938 0.0000000), wk = 0.0028090 k( 59) = ( 0.0172469 0.4922469 0.0000000), wk = 0.0028090 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028090 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028090 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028090 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028090 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028090 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028090 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028090 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028090 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028090 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028090 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028090 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028090 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028090 k( 75) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0028090 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028090 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028090 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028090 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028090 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028090 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028090 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028090 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028090 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028090 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028090 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028090 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028090 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028090 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028090 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028090 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028090 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 94) = ( 0.0172469 0.4922469 0.5000000), wk = 0.0028090 k( 95) = ( 0.0344938 0.4844938 0.5000000), wk = 0.0028090 k( 96) = ( 0.0517407 0.4767407 0.5000000), wk = 0.0028090 k( 97) = ( 0.0689876 0.4689876 0.5000000), wk = 0.0028090 k( 98) = ( 0.0862345 0.4612345 0.5000000), wk = 0.0028090 k( 99) = ( 0.1034814 0.4534814 0.5000000), wk = 0.0028090 k( 100) = ( 0.1207283 0.4457283 0.5000000), wk = 0.0028090 k( 101) = ( 0.1379752 0.4379752 0.5000000), wk = 0.0028090 k( 102) = ( 0.1552221 0.4302221 0.5000000), wk = 0.0028090 k( 103) = ( 0.1724690 0.4224690 0.5000000), wk = 0.0028090 k( 104) = ( 0.1897159 0.4147159 0.5000000), wk = 0.0028090 k( 105) = ( 0.2069628 0.4069628 0.5000000), wk = 0.0028090 k( 106) = ( 0.2242097 0.3992097 0.5000000), wk = 0.0028090 k( 107) = ( 0.2414566 0.3914566 0.5000000), wk = 0.0028090 k( 108) = ( 0.2587035 0.3837035 0.5000000), wk = 0.0028090 k( 109) = ( 0.2759504 0.3759504 0.5000000), wk = 0.0028090 k( 110) = ( 0.2931973 0.3681973 0.5000000), wk = 0.0028090 k( 111) = ( 0.3104442 0.3604442 0.5000000), wk = 0.0028090 k( 112) = ( 0.3276911 0.3526911 0.5000000), wk = 0.0028090 k( 113) = ( 0.3449380 0.3449380 0.5000000), wk = 0.0028090 k( 114) = ( 0.3449380 0.3449380 0.5000000), wk = 0.0028090 k( 115) = ( 0.3358607 0.3358607 0.5000000), wk = 0.0028090 k( 116) = ( 0.3267833 0.3267833 0.5000000), wk = 0.0028090 k( 117) = ( 0.3177060 0.3177060 0.5000000), wk = 0.0028090 k( 118) = ( 0.3086287 0.3086287 0.5000000), wk = 0.0028090 k( 119) = ( 0.2995514 0.2995514 0.5000000), wk = 0.0028090 k( 120) = ( 0.2904741 0.2904741 0.5000000), wk = 0.0028090 k( 121) = ( 0.2813968 0.2813968 0.5000000), wk = 0.0028090 k( 122) = ( 0.2723195 0.2723195 0.5000000), wk = 0.0028090 k( 123) = ( 0.2632421 0.2632421 0.5000000), wk = 0.0028090 k( 124) = ( 0.2541648 0.2541648 0.5000000), wk = 0.0028090 k( 125) = ( 0.2450875 0.2450875 0.5000000), wk = 0.0028090 k( 126) = ( 0.2360102 0.2360102 0.5000000), wk = 0.0028090 k( 127) = ( 0.2269329 0.2269329 0.5000000), wk = 0.0028090 k( 128) = ( 0.2178556 0.2178556 0.5000000), wk = 0.0028090 k( 129) = ( 0.2087782 0.2087782 0.5000000), wk = 0.0028090 k( 130) = ( 0.1997009 0.1997009 0.5000000), wk = 0.0028090 k( 131) = ( 0.1906236 0.1906236 0.5000000), wk = 0.0028090 k( 132) = ( 0.1815463 0.1815463 0.5000000), wk = 0.0028090 k( 133) = ( 0.1724690 0.1724690 0.5000000), wk = 0.0028090 k( 134) = ( 0.1633917 0.1633917 0.5000000), wk = 0.0028090 k( 135) = ( 0.1543144 0.1543144 0.5000000), wk = 0.0028090 k( 136) = ( 0.1452370 0.1452370 0.5000000), wk = 0.0028090 k( 137) = ( 0.1361597 0.1361597 0.5000000), wk = 0.0028090 k( 138) = ( 0.1270824 0.1270824 0.5000000), wk = 0.0028090 k( 139) = ( 0.1180051 0.1180051 0.5000000), wk = 0.0028090 k( 140) = ( 0.1089278 0.1089278 0.5000000), wk = 0.0028090 k( 141) = ( 0.0998505 0.0998505 0.5000000), wk = 0.0028090 k( 142) = ( 0.0907731 0.0907732 0.5000000), wk = 0.0028090 k( 143) = ( 0.0816958 0.0816958 0.5000000), wk = 0.0028090 k( 144) = ( 0.0726185 0.0726185 0.5000000), wk = 0.0028090 k( 145) = ( 0.0635412 0.0635412 0.5000000), wk = 0.0028090 k( 146) = ( 0.0544639 0.0544639 0.5000000), wk = 0.0028090 k( 147) = ( 0.0453866 0.0453866 0.5000000), wk = 0.0028090 k( 148) = ( 0.0363093 0.0363093 0.5000000), wk = 0.0028090 k( 149) = ( 0.0272320 0.0272320 0.5000000), wk = 0.0028090 k( 150) = ( 0.0181546 0.0181546 0.5000000), wk = 0.0028090 k( 151) = ( 0.0090773 0.0090773 0.5000000), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.2741935), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028090 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028090 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028090 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028090 k( 173) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0028090 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028090 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028090 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028090 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028090 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028090 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028090 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028090 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028090 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028090 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028090 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 186) = ( -0.0147059 0.0147059 0.0000000), wk = 0.0028090 k( 187) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0028090 k( 188) = ( -0.0441177 0.0441177 0.0000000), wk = 0.0028090 k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028090 k( 190) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0028090 k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028090 k( 192) = ( -0.1029412 0.1029412 0.0000000), wk = 0.0028090 k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028090 k( 194) = ( -0.1323529 0.1323529 0.0000000), wk = 0.0028090 k( 195) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0028090 k( 196) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0028090 k( 197) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0028090 k( 198) = ( -0.1911765 0.1911765 0.0000000), wk = 0.0028090 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028090 k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028090 k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028090 k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028090 k( 203) = ( -0.2647059 0.2647059 0.0000000), wk = 0.0028090 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028090 k( 205) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0028090 k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028090 k( 207) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0028090 k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028090 k( 209) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0028090 k( 210) = ( -0.3676471 0.3676471 0.0000000), wk = 0.0028090 k( 211) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0028090 k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028090 k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028090 k( 214) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0028090 k( 215) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0028090 k( 216) = ( -0.4558823 0.4558823 0.0000000), wk = 0.0028090 k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028090 k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028090 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 221) = ( -0.4913854 0.5086146 -0.0000000), wk = 0.0028090 k( 222) = ( -0.4827709 0.5172291 0.0000000), wk = 0.0028090 k( 223) = ( -0.4741563 0.5258437 0.0000000), wk = 0.0028090 k( 224) = ( -0.4655418 0.5344582 0.0000000), wk = 0.0028090 k( 225) = ( -0.4569272 0.5430728 0.0000000), wk = 0.0028090 k( 226) = ( -0.4483127 0.5516873 -0.0000000), wk = 0.0028090 k( 227) = ( -0.4396981 0.5603019 0.0000000), wk = 0.0028090 k( 228) = ( -0.4310835 0.5689165 0.0000000), wk = 0.0028090 k( 229) = ( -0.4224690 0.5775310 0.0000000), wk = 0.0028090 k( 230) = ( -0.4138544 0.5861456 0.0000000), wk = 0.0028090 k( 231) = ( -0.4052399 0.5947601 0.0000000), wk = 0.0028090 k( 232) = ( -0.3966253 0.6033747 0.0000000), wk = 0.0028090 k( 233) = ( -0.3880108 0.6119892 0.0000000), wk = 0.0028090 k( 234) = ( -0.3793962 0.6206038 0.0000000), wk = 0.0028090 k( 235) = ( -0.3707817 0.6292184 0.0000000), wk = 0.0028090 k( 236) = ( -0.3621671 0.6378329 0.0000000), wk = 0.0028090 k( 237) = ( -0.3535525 0.6464475 0.0000000), wk = 0.0028090 k( 238) = ( -0.3449380 0.6550620 0.0000000), wk = 0.0028090 k( 239) = ( -0.3449380 0.6550620 0.0000000), wk = 0.0028090 k( 240) = ( -0.3449380 0.6550620 0.0161290), wk = 0.0028090 k( 241) = ( -0.3449380 0.6550620 0.0322581), wk = 0.0028090 k( 242) = ( -0.3449380 0.6550620 0.0483871), wk = 0.0028090 k( 243) = ( -0.3449380 0.6550620 0.0645161), wk = 0.0028090 k( 244) = ( -0.3449380 0.6550620 0.0806452), wk = 0.0028090 k( 245) = ( -0.3449380 0.6550620 0.0967742), wk = 0.0028090 k( 246) = ( -0.3449380 0.6550620 0.1129032), wk = 0.0028090 k( 247) = ( -0.3449380 0.6550620 0.1290323), wk = 0.0028090 k( 248) = ( -0.3449380 0.6550620 0.1451613), wk = 0.0028090 k( 249) = ( -0.3449380 0.6550620 0.1612903), wk = 0.0028090 k( 250) = ( -0.3449380 0.6550620 0.1774194), wk = 0.0028090 k( 251) = ( -0.3449380 0.6550620 0.1935484), wk = 0.0028090 k( 252) = ( -0.3449380 0.6550620 0.2096774), wk = 0.0028090 k( 253) = ( -0.3449380 0.6550620 0.2258064), wk = 0.0028090 k( 254) = ( -0.3449380 0.6550620 0.2419355), wk = 0.0028090 k( 255) = ( -0.3449380 0.6550620 0.2580645), wk = 0.0028090 k( 256) = ( -0.3449380 0.6550620 0.2741936), wk = 0.0028090 k( 257) = ( -0.3449380 0.6550620 0.2903226), wk = 0.0028090 k( 258) = ( -0.3449380 0.6550620 0.3064516), wk = 0.0028090 k( 259) = ( -0.3449380 0.6550620 0.3225806), wk = 0.0028090 k( 260) = ( -0.3449380 0.6550620 0.3387097), wk = 0.0028090 k( 261) = ( -0.3449380 0.6550620 0.3548387), wk = 0.0028090 k( 262) = ( -0.3449380 0.6550620 0.3709677), wk = 0.0028090 k( 263) = ( -0.3449380 0.6550620 0.3870968), wk = 0.0028090 k( 264) = ( -0.3449380 0.6550620 0.4032258), wk = 0.0028090 k( 265) = ( -0.3449380 0.6550620 0.4193548), wk = 0.0028090 k( 266) = ( -0.3449380 0.6550620 0.4354839), wk = 0.0028090 k( 267) = ( -0.3449380 0.6550620 0.4516129), wk = 0.0028090 k( 268) = ( -0.3449380 0.6550620 0.4677419), wk = 0.0028090 k( 269) = ( -0.3449380 0.6550620 0.4838710), wk = 0.0028090 k( 270) = ( -0.3449380 0.6550620 0.5000000), wk = 0.0028090 k( 271) = ( -0.3449380 0.6550620 0.5000000), wk = 0.0028090 k( 272) = ( -0.3535525 0.6464475 0.5000000), wk = 0.0028090 k( 273) = ( -0.3621671 0.6378329 0.5000000), wk = 0.0028090 k( 274) = ( -0.3707817 0.6292184 0.5000000), wk = 0.0028090 k( 275) = ( -0.3793962 0.6206038 0.5000000), wk = 0.0028090 k( 276) = ( -0.3880108 0.6119892 0.5000000), wk = 0.0028090 k( 277) = ( -0.3966253 0.6033747 0.5000000), wk = 0.0028090 k( 278) = ( -0.4052399 0.5947601 0.5000000), wk = 0.0028090 k( 279) = ( -0.4138544 0.5861456 0.5000000), wk = 0.0028090 k( 280) = ( -0.4224690 0.5775310 0.5000000), wk = 0.0028090 k( 281) = ( -0.4310835 0.5689165 0.5000000), wk = 0.0028090 k( 282) = ( -0.4396981 0.5603019 0.5000000), wk = 0.0028090 k( 283) = ( -0.4483127 0.5516873 0.5000000), wk = 0.0028090 k( 284) = ( -0.4569272 0.5430728 0.5000000), wk = 0.0028090 k( 285) = ( -0.4655418 0.5344582 0.5000000), wk = 0.0028090 k( 286) = ( -0.4741563 0.5258437 0.5000000), wk = 0.0028090 k( 287) = ( -0.4827709 0.5172291 0.5000000), wk = 0.0028090 k( 288) = ( -0.4913854 0.5086146 0.5000000), wk = 0.0028090 k( 289) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 291) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028090 k( 292) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028090 k( 293) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028090 k( 294) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028090 k( 295) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028090 k( 296) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028090 k( 297) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028090 k( 298) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028090 k( 299) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028090 k( 300) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028090 k( 301) = ( -0.5000000 0.5000000 0.3225806), wk = 0.0028090 k( 302) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028090 k( 303) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028090 k( 304) = ( -0.5000000 0.5000000 0.2741935), wk = 0.0028090 k( 305) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028090 k( 306) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028090 k( 307) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028090 k( 308) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028090 k( 309) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028090 k( 310) = ( -0.5000000 0.5000000 0.1774193), wk = 0.0028090 k( 311) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028090 k( 312) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028090 k( 313) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028090 k( 314) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028090 k( 315) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028090 k( 316) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028090 k( 317) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028090 k( 318) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028090 k( 319) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028090 k( 320) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028090 k( 321) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 323) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028090 k( 324) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028090 k( 325) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0028090 k( 326) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028090 k( 327) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028090 k( 328) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028090 k( 329) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028090 k( 330) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028090 k( 331) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028090 k( 332) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028090 k( 333) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028090 k( 334) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028090 k( 335) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028090 k( 336) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028090 k( 337) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028090 k( 338) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028090 k( 339) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 340) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028090 k( 341) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028090 k( 342) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028090 k( 343) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028090 k( 344) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028090 k( 345) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028090 k( 346) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028090 k( 347) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028090 k( 348) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028090 k( 349) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028090 k( 350) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028090 k( 351) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028090 k( 352) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028090 k( 353) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028090 k( 354) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028090 k( 355) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028090 k( 356) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 89179 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39457 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 216, 58) NL pseudopotentials 0.23 Mb ( 108, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1856) G-vector shells 0.01 Mb ( 953) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 216, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.5 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 46.7 secs Computing kpt #: 4 total cpu time spent up to now is 49.4 secs Computing kpt #: 5 total cpu time spent up to now is 51.9 secs Computing kpt #: 6 total cpu time spent up to now is 54.6 secs Computing kpt #: 7 total cpu time spent up to now is 57.1 secs Computing kpt #: 8 total cpu time spent up to now is 59.8 secs Computing kpt #: 9 total cpu time spent up to now is 62.3 secs Computing kpt #: 10 total cpu time spent up to now is 64.8 secs Computing kpt #: 11 total cpu time spent up to now is 67.3 secs Computing kpt #: 12 total cpu time spent up to now is 69.8 secs Computing kpt #: 13 total cpu time spent up to now is 72.2 secs Computing kpt #: 14 total cpu time spent up to now is 74.6 secs Computing kpt #: 15 total cpu time spent up to now is 77.1 secs Computing kpt #: 16 total cpu time spent up to now is 79.7 secs Computing kpt #: 17 total cpu time spent up to now is 82.0 secs Computing kpt #: 18 total cpu time spent up to now is 84.4 secs Computing kpt #: 19 total cpu time spent up to now is 86.7 secs Computing kpt #: 20 total cpu time spent up to now is 89.2 secs Computing kpt #: 21 total cpu time spent up to now is 91.8 secs Computing kpt #: 22 total cpu time spent up to now is 94.9 secs Computing kpt #: 23 total cpu time spent up to now is 97.4 secs Computing kpt #: 24 total cpu time spent up to now is 99.9 secs Computing kpt #: 25 total cpu time spent up to now is 102.5 secs Computing kpt #: 26 total cpu time spent up to now is 105.0 secs Computing kpt #: 27 total cpu time spent up to now is 107.2 secs Computing kpt #: 28 total cpu time spent up to now is 109.4 secs Computing kpt #: 29 total cpu time spent up to now is 111.7 secs Computing kpt #: 30 total cpu time spent up to now is 113.9 secs Computing kpt #: 31 total cpu time spent up to now is 116.3 secs Computing kpt #: 32 total cpu time spent up to now is 118.5 secs Computing kpt #: 33 total cpu time spent up to now is 120.7 secs Computing kpt #: 34 total cpu time spent up to now is 122.9 secs Computing kpt #: 35 total cpu time spent up to now is 125.2 secs Computing kpt #: 36 total cpu time spent up to now is 127.4 secs Computing kpt #: 37 total cpu time spent up to now is 129.7 secs Computing kpt #: 38 total cpu time spent up to now is 131.9 secs Computing kpt #: 39 total cpu time spent up to now is 133.9 secs Computing kpt #: 40 total cpu time spent up to now is 136.0 secs Computing kpt #: 41 total cpu time spent up to now is 138.3 secs Computing kpt #: 42 total cpu time spent up to now is 141.2 secs Computing kpt #: 43 total cpu time spent up to now is 143.7 secs Computing kpt #: 44 total cpu time spent up to now is 145.9 secs Computing kpt #: 45 total cpu time spent up to now is 148.2 secs Computing kpt #: 46 total cpu time spent up to now is 150.3 secs Computing kpt #: 47 total cpu time spent up to now is 152.4 secs Computing kpt #: 48 total cpu time spent up to now is 154.9 secs Computing kpt #: 49 total cpu time spent up to now is 157.2 secs Computing kpt #: 50 total cpu time spent up to now is 159.5 secs Computing kpt #: 51 total cpu time spent up to now is 161.8 secs Computing kpt #: 52 total cpu time spent up to now is 164.3 secs Computing kpt #: 53 total cpu time spent up to now is 166.8 secs Computing kpt #: 54 total cpu time spent up to now is 169.4 secs Computing kpt #: 55 total cpu time spent up to now is 172.0 secs Computing kpt #: 56 total cpu time spent up to now is 174.4 secs Computing kpt #: 57 total cpu time spent up to now is 176.9 secs Computing kpt #: 58 total cpu time spent up to now is 179.5 secs Computing kpt #: 59 total cpu time spent up to now is 182.0 secs Computing kpt #: 60 total cpu time spent up to now is 184.6 secs Computing kpt #: 61 total cpu time spent up to now is 187.2 secs Computing kpt #: 62 total cpu time spent up to now is 189.9 secs Computing kpt #: 63 total cpu time spent up to now is 192.5 secs Computing kpt #: 64 total cpu time spent up to now is 194.8 secs Computing kpt #: 65 total cpu time spent up to now is 197.2 secs Computing kpt #: 66 total cpu time spent up to now is 199.5 secs Computing kpt #: 67 total cpu time spent up to now is 201.7 secs Computing kpt #: 68 total cpu time spent up to now is 204.1 secs Computing kpt #: 69 total cpu time spent up to now is 206.6 secs Computing kpt #: 70 total cpu time spent up to now is 208.8 secs Computing kpt #: 71 total cpu time spent up to now is 211.2 secs Computing kpt #: 72 total cpu time spent up to now is 213.4 secs Computing kpt #: 73 total cpu time spent up to now is 215.7 secs Computing kpt #: 74 total cpu time spent up to now is 218.2 secs Computing kpt #: 75 total cpu time spent up to now is 220.7 secs Computing kpt #: 76 total cpu time spent up to now is 223.8 secs Computing kpt #: 77 total cpu time spent up to now is 226.8 secs Computing kpt #: 78 total cpu time spent up to now is 230.1 secs Computing kpt #: 79 total cpu time spent up to now is 233.8 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.7 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.9 secs Computing kpt #: 82 total cpu time spent up to now is 248.0 secs Computing kpt #: 83 total cpu time spent up to now is 252.2 secs Computing kpt #: 84 total cpu time spent up to now is 255.1 secs Computing kpt #: 85 total cpu time spent up to now is 258.4 secs Computing kpt #: 86 total cpu time spent up to now is 261.1 secs Computing kpt #: 87 total cpu time spent up to now is 263.9 secs Computing kpt #: 88 total cpu time spent up to now is 266.8 secs Computing kpt #: 89 total cpu time spent up to now is 269.7 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.4 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.0 secs Computing kpt #: 92 total cpu time spent up to now is 284.4 secs Computing kpt #: 93 total cpu time spent up to now is 287.6 secs Computing kpt #: 94 total cpu time spent up to now is 290.9 secs Computing kpt #: 95 total cpu time spent up to now is 294.2 secs Computing kpt #: 96 total cpu time spent up to now is 297.6 secs Computing kpt #: 97 total cpu time spent up to now is 301.1 secs Computing kpt #: 98 total cpu time spent up to now is 303.9 secs Computing kpt #: 99 total cpu time spent up to now is 307.8 secs Computing kpt #: 100 total cpu time spent up to now is 310.8 secs Computing kpt #: 101 total cpu time spent up to now is 313.7 secs Computing kpt #: 102 total cpu time spent up to now is 316.5 secs Computing kpt #: 103 total cpu time spent up to now is 319.5 secs Computing kpt #: 104 total cpu time spent up to now is 322.3 secs Computing kpt #: 105 total cpu time spent up to now is 325.1 secs Computing kpt #: 106 total cpu time spent up to now is 328.2 secs Computing kpt #: 107 total cpu time spent up to now is 331.1 secs Computing kpt #: 108 total cpu time spent up to now is 334.0 secs Computing kpt #: 109 total cpu time spent up to now is 336.8 secs Computing kpt #: 110 total cpu time spent up to now is 339.7 secs Computing kpt #: 111 total cpu time spent up to now is 342.6 secs Computing kpt #: 112 total cpu time spent up to now is 345.6 secs Computing kpt #: 113 total cpu time spent up to now is 349.2 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.8 secs Computing kpt #: 115 total cpu time spent up to now is 357.9 secs Computing kpt #: 116 total cpu time spent up to now is 362.3 secs Computing kpt #: 117 total cpu time spent up to now is 366.1 secs Computing kpt #: 118 total cpu time spent up to now is 369.4 secs Computing kpt #: 119 total cpu time spent up to now is 372.3 secs Computing kpt #: 120 total cpu time spent up to now is 375.8 secs Computing kpt #: 121 total cpu time spent up to now is 379.1 secs Computing kpt #: 122 total cpu time spent up to now is 382.5 secs Computing kpt #: 123 total cpu time spent up to now is 385.9 secs Computing kpt #: 124 total cpu time spent up to now is 389.3 secs Computing kpt #: 125 total cpu time spent up to now is 392.6 secs Computing kpt #: 126 total cpu time spent up to now is 396.0 secs Computing kpt #: 127 total cpu time spent up to now is 399.5 secs Computing kpt #: 128 total cpu time spent up to now is 404.1 secs Computing kpt #: 129 total cpu time spent up to now is 407.6 secs Computing kpt #: 130 total cpu time spent up to now is 411.0 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.5 secs Computing kpt #: 132 total cpu time spent up to now is 418.8 secs Computing kpt #: 133 total cpu time spent up to now is 422.8 secs Computing kpt #: 134 total cpu time spent up to now is 426.7 secs Computing kpt #: 135 total cpu time spent up to now is 430.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 435.3 secs Computing kpt #: 137 total cpu time spent up to now is 439.9 secs Computing kpt #: 138 total cpu time spent up to now is 444.3 secs Computing kpt #: 139 total cpu time spent up to now is 449.0 secs Computing kpt #: 140 total cpu time spent up to now is 452.4 secs Computing kpt #: 141 total cpu time spent up to now is 456.9 secs Computing kpt #: 142 total cpu time spent up to now is 461.9 secs Computing kpt #: 143 total cpu time spent up to now is 466.5 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 471.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.6 secs Computing kpt #: 146 total cpu time spent up to now is 479.8 secs Computing kpt #: 147 total cpu time spent up to now is 484.3 secs Computing kpt #: 148 total cpu time spent up to now is 488.4 secs Computing kpt #: 149 total cpu time spent up to now is 491.9 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.8 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.7 secs Computing kpt #: 152 total cpu time spent up to now is 503.7 secs Computing kpt #: 153 total cpu time spent up to now is 505.9 secs Computing kpt #: 154 total cpu time spent up to now is 508.3 secs Computing kpt #: 155 total cpu time spent up to now is 510.6 secs Computing kpt #: 156 total cpu time spent up to now is 513.3 secs Computing kpt #: 157 total cpu time spent up to now is 515.3 secs Computing kpt #: 158 total cpu time spent up to now is 517.3 secs Computing kpt #: 159 total cpu time spent up to now is 519.6 secs Computing kpt #: 160 total cpu time spent up to now is 521.7 secs Computing kpt #: 161 total cpu time spent up to now is 523.7 secs Computing kpt #: 162 total cpu time spent up to now is 525.5 secs Computing kpt #: 163 total cpu time spent up to now is 527.5 secs Computing kpt #: 164 total cpu time spent up to now is 529.3 secs Computing kpt #: 165 total cpu time spent up to now is 531.1 secs Computing kpt #: 166 total cpu time spent up to now is 533.2 secs Computing kpt #: 167 total cpu time spent up to now is 535.6 secs Computing kpt #: 168 total cpu time spent up to now is 537.8 secs Computing kpt #: 169 total cpu time spent up to now is 539.8 secs Computing kpt #: 170 total cpu time spent up to now is 541.8 secs Computing kpt #: 171 total cpu time spent up to now is 544.0 secs Computing kpt #: 172 total cpu time spent up to now is 546.1 secs Computing kpt #: 173 total cpu time spent up to now is 548.1 secs Computing kpt #: 174 total cpu time spent up to now is 550.3 secs Computing kpt #: 175 total cpu time spent up to now is 552.4 secs Computing kpt #: 176 total cpu time spent up to now is 554.6 secs Computing kpt #: 177 total cpu time spent up to now is 556.7 secs Computing kpt #: 178 total cpu time spent up to now is 558.8 secs Computing kpt #: 179 total cpu time spent up to now is 561.0 secs Computing kpt #: 180 total cpu time spent up to now is 563.4 secs Computing kpt #: 181 total cpu time spent up to now is 565.6 secs Computing kpt #: 182 total cpu time spent up to now is 567.8 secs Computing kpt #: 183 total cpu time spent up to now is 570.5 secs Computing kpt #: 184 total cpu time spent up to now is 572.7 secs Computing kpt #: 185 total cpu time spent up to now is 574.8 secs Computing kpt #: 186 total cpu time spent up to now is 577.6 secs Computing kpt #: 187 total cpu time spent up to now is 581.2 secs Computing kpt #: 188 total cpu time spent up to now is 584.4 secs Computing kpt #: 189 total cpu time spent up to now is 587.1 secs Computing kpt #: 190 total cpu time spent up to now is 589.6 secs Computing kpt #: 191 total cpu time spent up to now is 592.3 secs Computing kpt #: 192 total cpu time spent up to now is 595.3 secs Computing kpt #: 193 total cpu time spent up to now is 598.3 secs Computing kpt #: 194 total cpu time spent up to now is 600.8 secs Computing kpt #: 195 total cpu time spent up to now is 603.1 secs Computing kpt #: 196 total cpu time spent up to now is 605.4 secs Computing kpt #: 197 total cpu time spent up to now is 607.9 secs Computing kpt #: 198 total cpu time spent up to now is 610.1 secs Computing kpt #: 199 total cpu time spent up to now is 612.7 secs Computing kpt #: 200 total cpu time spent up to now is 615.0 secs Computing kpt #: 201 total cpu time spent up to now is 617.2 secs Computing kpt #: 202 total cpu time spent up to now is 619.4 secs Computing kpt #: 203 total cpu time spent up to now is 621.7 secs Computing kpt #: 204 total cpu time spent up to now is 624.0 secs Computing kpt #: 205 total cpu time spent up to now is 626.2 secs Computing kpt #: 206 total cpu time spent up to now is 628.4 secs Computing kpt #: 207 total cpu time spent up to now is 630.7 secs Computing kpt #: 208 total cpu time spent up to now is 632.9 secs Computing kpt #: 209 total cpu time spent up to now is 635.0 secs Computing kpt #: 210 total cpu time spent up to now is 637.5 secs Computing kpt #: 211 total cpu time spent up to now is 639.8 secs Computing kpt #: 212 total cpu time spent up to now is 642.1 secs Computing kpt #: 213 total cpu time spent up to now is 644.4 secs Computing kpt #: 214 total cpu time spent up to now is 646.9 secs Computing kpt #: 215 total cpu time spent up to now is 650.2 secs Computing kpt #: 216 total cpu time spent up to now is 653.1 secs Computing kpt #: 217 total cpu time spent up to now is 655.8 secs Computing kpt #: 218 total cpu time spent up to now is 658.4 secs Computing kpt #: 219 total cpu time spent up to now is 661.2 secs Computing kpt #: 220 total cpu time spent up to now is 663.4 secs Computing kpt #: 221 total cpu time spent up to now is 665.7 secs Computing kpt #: 222 total cpu time spent up to now is 668.1 secs Computing kpt #: 223 total cpu time spent up to now is 670.5 secs Computing kpt #: 224 total cpu time spent up to now is 673.2 secs Computing kpt #: 225 total cpu time spent up to now is 675.5 secs Computing kpt #: 226 total cpu time spent up to now is 678.3 secs Computing kpt #: 227 total cpu time spent up to now is 680.8 secs Computing kpt #: 228 total cpu time spent up to now is 683.1 secs Computing kpt #: 229 total cpu time spent up to now is 685.3 secs Computing kpt #: 230 total cpu time spent up to now is 688.0 secs Computing kpt #: 231 total cpu time spent up to now is 690.3 secs Computing kpt #: 232 total cpu time spent up to now is 692.5 secs Computing kpt #: 233 total cpu time spent up to now is 694.7 secs Computing kpt #: 234 total cpu time spent up to now is 696.8 secs Computing kpt #: 235 total cpu time spent up to now is 698.9 secs Computing kpt #: 236 total cpu time spent up to now is 701.2 secs Computing kpt #: 237 total cpu time spent up to now is 703.3 secs Computing kpt #: 238 total cpu time spent up to now is 705.4 secs Computing kpt #: 239 total cpu time spent up to now is 707.5 secs Computing kpt #: 240 total cpu time spent up to now is 709.7 secs Computing kpt #: 241 total cpu time spent up to now is 711.8 secs Computing kpt #: 242 total cpu time spent up to now is 713.8 secs Computing kpt #: 243 total cpu time spent up to now is 715.8 secs Computing kpt #: 244 total cpu time spent up to now is 718.1 secs Computing kpt #: 245 total cpu time spent up to now is 720.3 secs Computing kpt #: 246 total cpu time spent up to now is 722.3 secs Computing kpt #: 247 total cpu time spent up to now is 724.7 secs Computing kpt #: 248 total cpu time spent up to now is 726.9 secs Computing kpt #: 249 total cpu time spent up to now is 729.0 secs Computing kpt #: 250 total cpu time spent up to now is 731.2 secs Computing kpt #: 251 total cpu time spent up to now is 733.6 secs Computing kpt #: 252 total cpu time spent up to now is 736.0 secs Computing kpt #: 253 total cpu time spent up to now is 738.4 secs Computing kpt #: 254 total cpu time spent up to now is 740.9 secs Computing kpt #: 255 total cpu time spent up to now is 743.4 secs Computing kpt #: 256 total cpu time spent up to now is 746.0 secs Computing kpt #: 257 total cpu time spent up to now is 748.5 secs Computing kpt #: 258 total cpu time spent up to now is 750.9 secs Computing kpt #: 259 total cpu time spent up to now is 753.4 secs Computing kpt #: 260 total cpu time spent up to now is 755.9 secs Computing kpt #: 261 total cpu time spent up to now is 758.4 secs Computing kpt #: 262 total cpu time spent up to now is 760.9 secs Computing kpt #: 263 total cpu time spent up to now is 763.9 secs Computing kpt #: 264 total cpu time spent up to now is 766.6 secs Computing kpt #: 265 total cpu time spent up to now is 769.3 secs Computing kpt #: 266 total cpu time spent up to now is 772.1 secs Computing kpt #: 267 total cpu time spent up to now is 774.8 secs Computing kpt #: 268 total cpu time spent up to now is 777.6 secs Computing kpt #: 269 total cpu time spent up to now is 780.4 secs Computing kpt #: 270 total cpu time spent up to now is 783.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 788.2 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 793.0 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 797.7 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 802.4 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 807.3 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.2 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 817.1 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 821.8 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 826.5 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.7 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 841.5 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 846.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 851.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.2 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 861.1 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 866.0 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.3 secs Computing kpt #: 289 total cpu time spent up to now is 873.3 secs Computing kpt #: 290 total cpu time spent up to now is 875.5 secs Computing kpt #: 291 total cpu time spent up to now is 879.3 secs Computing kpt #: 292 total cpu time spent up to now is 882.7 secs Computing kpt #: 293 total cpu time spent up to now is 885.4 secs Computing kpt #: 294 total cpu time spent up to now is 887.6 secs Computing kpt #: 295 total cpu time spent up to now is 889.8 secs Computing kpt #: 296 total cpu time spent up to now is 892.0 secs Computing kpt #: 297 total cpu time spent up to now is 894.1 secs Computing kpt #: 298 total cpu time spent up to now is 896.2 secs Computing kpt #: 299 total cpu time spent up to now is 898.7 secs Computing kpt #: 300 total cpu time spent up to now is 901.2 secs Computing kpt #: 301 total cpu time spent up to now is 903.4 secs Computing kpt #: 302 total cpu time spent up to now is 905.5 secs Computing kpt #: 303 total cpu time spent up to now is 907.6 secs Computing kpt #: 304 total cpu time spent up to now is 909.7 secs Computing kpt #: 305 total cpu time spent up to now is 912.2 secs Computing kpt #: 306 total cpu time spent up to now is 914.6 secs Computing kpt #: 307 total cpu time spent up to now is 916.9 secs Computing kpt #: 308 total cpu time spent up to now is 919.4 secs Computing kpt #: 309 total cpu time spent up to now is 922.1 secs Computing kpt #: 310 total cpu time spent up to now is 924.5 secs Computing kpt #: 311 total cpu time spent up to now is 927.1 secs Computing kpt #: 312 total cpu time spent up to now is 929.6 secs Computing kpt #: 313 total cpu time spent up to now is 932.6 secs Computing kpt #: 314 total cpu time spent up to now is 935.5 secs Computing kpt #: 315 total cpu time spent up to now is 938.3 secs Computing kpt #: 316 total cpu time spent up to now is 940.9 secs Computing kpt #: 317 total cpu time spent up to now is 944.0 secs Computing kpt #: 318 total cpu time spent up to now is 947.1 secs Computing kpt #: 319 total cpu time spent up to now is 949.7 secs Computing kpt #: 320 total cpu time spent up to now is 952.3 secs Computing kpt #: 321 total cpu time spent up to now is 954.9 secs Computing kpt #: 322 total cpu time spent up to now is 957.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.1 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 966.9 secs Computing kpt #: 325 total cpu time spent up to now is 970.8 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.7 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 980.4 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 985.2 secs Computing kpt #: 329 total cpu time spent up to now is 990.2 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 994.9 secs Computing kpt #: 331 total cpu time spent up to now is 999.2 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.5 secs Computing kpt #: 333 total cpu time spent up to now is 1008.4 secs Computing kpt #: 334 total cpu time spent up to now is 1012.2 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1017.4 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1022.1 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1027.2 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1032.2 secs Computing kpt #: 339 total cpu time spent up to now is 1036.1 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.0 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1045.8 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1050.9 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1055.7 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1061.0 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1066.2 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1070.9 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1075.7 secs Computing kpt #: 348 total cpu time spent up to now is 1080.4 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1085.0 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1090.1 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.1 secs Computing kpt #: 352 total cpu time spent up to now is 1099.3 secs Computing kpt #: 353 total cpu time spent up to now is 1104.1 secs Computing kpt #: 354 total cpu time spent up to now is 1108.6 secs Computing kpt #: 355 total cpu time spent up to now is 1113.8 secs Computing kpt #: 356 total cpu time spent up to now is 1115.8 secs ethr = 2.08E-11, avg # of iterations = 54.3 total cpu time spent up to now is 1116.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4921 PWs) bands (ev): -13.3095 -13.3095 -12.5476 -12.5476 -11.1477 -11.1477 -9.8927 -9.8927 -9.6493 -9.6493 -9.4177 -9.4177 -4.3608 -4.3608 -3.6557 -3.6557 -3.5068 -3.5068 -0.9606 -0.9606 -0.7984 -0.7984 -0.6747 -0.6747 0.4516 0.4516 1.3455 1.3455 1.4649 1.4649 1.5753 1.5753 2.3805 2.3805 2.6485 2.6485 3.2139 3.2139 3.5401 3.5401 3.9082 3.9082 3.9983 3.9983 4.0512 4.0512 4.1306 4.1306 7.1758 7.1758 9.3004 9.3004 9.5931 9.5931 10.3311 10.3311 12.1031 12.1031 k = 0.0091 0.0147-0.0000 ( 4909 PWs) bands (ev): -13.3090 -13.3090 -12.5477 -12.5477 -11.1474 -11.1472 -9.9082 -9.9010 -9.6435 -9.6346 -9.4179 -9.4169 -4.3602 -4.3598 -3.6789 -3.6739 -3.4868 -3.4800 -0.9759 -0.9535 -0.7999 -0.7991 -0.6805 -0.6625 0.4538 0.4568 1.3458 1.3464 1.4620 1.4634 1.5704 1.5735 2.3809 2.3810 2.6477 2.6499 3.2153 3.2157 3.5371 3.5380 3.8964 3.9039 4.0004 4.0072 4.0501 4.0506 4.1309 4.1309 7.1799 7.1799 9.3021 9.3032 9.5941 9.5942 10.3321 10.3325 12.0897 12.0949 k = 0.0182 0.0295-0.0000 ( 4911 PWs) bands (ev): -13.3073 -13.3073 -12.5478 -12.5478 -11.1463 -11.1459 -9.9415 -9.9298 -9.6204 -9.6055 -9.4175 -9.4154 -4.3581 -4.3572 -3.7223 -3.7163 -3.4372 -3.4274 -0.9978 -0.9561 -0.8039 -0.8020 -0.6790 -0.6456 0.4632 0.4692 1.3472 1.3485 1.4546 1.4577 1.5588 1.5651 2.3822 2.3825 2.6475 2.6519 3.2199 3.2207 3.5291 3.5310 3.8745 3.8861 4.0111 4.0215 4.0473 4.0485 4.1317 4.1317 7.1922 7.1922 9.3082 9.3104 9.5972 9.5974 10.3356 10.3364 12.0611 12.0690 k = 0.0272 0.0442-0.0000 ( 4913 PWs) bands (ev): -13.3046 -13.3045 -12.5480 -12.5480 -11.1444 -11.1439 -9.9852 -9.9715 -9.5877 -9.5692 -9.4165 -9.4134 -4.3543 -4.3530 -3.7701 -3.7643 -3.3763 -3.3650 -1.0245 -0.9682 -0.8102 -0.8067 -0.6700 -0.6254 0.4796 0.4885 1.3498 1.3517 1.4429 1.4477 1.5406 1.5501 2.3844 2.3849 2.6478 2.6543 3.2274 3.2286 3.5160 3.5186 3.8477 3.8613 4.0238 4.0367 4.0430 4.0458 4.1329 4.1329 7.2125 7.2126 9.3185 9.3218 9.6025 9.6027 10.3414 10.3427 12.0240 12.0329 k = 0.0363 0.0589-0.0000 ( 4919 PWs) bands (ev): -13.3007 -13.3006 -12.5483 -12.5482 -11.1418 -11.1410 -10.0348 -10.0205 -9.5511 -9.5303 -9.4148 -9.4108 -4.3490 -4.3473 -3.8177 -3.8125 -3.3100 -3.2975 -1.0547 -0.9883 -0.8188 -0.8132 -0.6546 -0.6028 0.5025 0.5143 1.3532 1.3561 1.4268 1.4338 1.5162 1.5289 2.3875 2.3882 2.6485 2.6570 3.2375 3.2390 3.4975 3.5008 3.8185 3.8333 4.0312 4.0374 4.0469 4.0510 4.1343 4.1343 7.2405 7.2406 9.3329 9.3372 9.6097 9.6101 10.3496 10.3513 11.9820 11.9912 k = 0.0454 0.0737-0.0000 ( 4939 PWs) bands (ev): -13.2958 -13.2957 -12.5487 -12.5486 -11.1383 -11.1373 -10.0880 -10.0736 -9.5134 -9.4910 -9.4126 -9.4077 -4.3421 -4.3400 -3.8634 -3.8589 -3.2400 -3.2264 -1.0875 -1.0146 -0.8296 -0.8216 -0.6342 -0.5783 0.5315 0.5460 1.3571 1.3610 1.4069 1.4164 1.4859 1.5018 2.3911 2.3921 2.6497 2.6601 3.2496 3.2512 3.4737 3.4773 3.7888 3.8041 4.0283 4.0306 4.0561 4.0639 4.1357 4.1358 7.2756 7.2758 9.3511 9.3564 9.6189 9.6195 10.3599 10.3621 11.9368 11.9458 k = 0.0545 0.0884-0.0000 ( 4939 PWs) bands (ev): -13.2898 -13.2896 -12.5491 -12.5490 -11.1340 -11.1329 -10.1437 -10.1296 -9.4764 -9.4525 -9.4097 -9.4039 -4.3337 -4.3312 -3.9067 -3.9029 -3.1672 -3.1527 -1.1222 -1.0450 -0.8424 -0.8320 -0.6097 -0.5519 0.5658 0.5829 1.3593 1.3640 1.3856 1.3976 1.4501 1.4694 2.3953 2.3966 2.6511 2.6633 3.2629 3.2645 3.4450 3.4486 3.7594 3.7750 4.0217 4.0229 4.0668 4.0753 4.1370 4.1371 7.3175 7.3177 9.3729 9.3791 9.6301 9.6308 10.3723 10.3748 11.8891 11.8978 k = 0.0635 0.1031-0.0000 ( 4939 PWs) bands (ev): -13.2827 -13.2825 -12.5497 -12.5495 -11.1290 -11.1276 -10.2011 -10.1873 -9.4410 -9.4158 -9.4058 -9.3993 -4.3237 -4.3208 -3.9472 -3.9442 -3.0920 -3.0765 -1.1580 -1.0784 -0.8573 -0.8445 -0.5819 -0.5238 0.6049 0.6244 1.3470 1.3516 1.3804 1.3843 1.4107 1.4324 2.3998 2.4015 2.6528 2.6665 3.2758 3.2768 3.4129 3.4156 3.7312 3.7466 4.0138 4.0144 4.0770 4.0855 4.1381 4.1383 7.3654 7.3658 9.3977 9.4048 9.6430 9.6440 10.3864 10.3894 11.8394 11.8476 k = 0.0726 0.1178-0.0000 ( 4939 PWs) bands (ev): -13.2746 -13.2744 -12.5503 -12.5501 -11.1231 -11.1215 -10.2596 -10.2464 -9.4112 -9.3977 -9.3954 -9.3799 -4.3123 -4.3089 -3.9849 -3.9826 -3.0147 -2.9983 -1.1944 -1.1135 -0.8741 -0.8588 -0.5513 -0.4938 0.6481 0.6699 1.3148 1.3277 1.3583 1.3801 1.3927 1.3981 2.4044 2.4065 2.6546 2.6698 3.2835 3.2843 3.3822 3.3825 3.7044 3.7193 4.0051 4.0054 4.0865 4.0948 4.1389 4.1391 7.4188 7.4193 9.4253 9.4331 9.6578 9.6590 10.4020 10.4055 11.7881 11.7958 k = 0.0817 0.1326-0.0000 ( 4943 PWs) bands (ev): -13.2655 -13.2653 -12.5510 -12.5508 -11.1163 -11.1145 -10.3191 -10.3064 -9.4006 -9.3898 -9.3719 -9.3474 -4.2993 -4.2956 -4.0197 -4.0181 -2.9356 -2.9183 -1.2310 -1.1494 -0.8927 -0.8751 -0.5182 -0.4617 0.6948 0.7188 1.2766 1.2956 1.3093 1.3417 1.3987 1.4004 2.4088 2.4113 2.6565 2.6730 3.2729 3.2773 3.3606 3.3647 3.6791 3.6933 3.9959 3.9960 4.0956 4.1037 4.1394 4.1397 7.4771 7.4778 9.4551 9.4636 9.6742 9.6758 10.4188 10.4227 11.7356 11.7427 k = 0.0908 0.1473-0.0000 ( 4937 PWs) bands (ev): -13.2555 -13.2552 -12.5517 -12.5515 -11.1087 -11.1067 -10.3792 -10.3671 -9.3951 -9.3840 -9.3430 -9.3170 -4.2849 -4.2808 -4.0517 -4.0506 -2.8547 -2.8366 -1.2673 -1.1856 -0.9131 -0.8931 -0.4825 -0.4276 0.7444 0.7703 1.2331 1.2518 1.2620 1.2940 1.4079 1.4104 2.4128 2.4157 2.6585 2.6761 3.2391 3.2451 3.3599 3.3664 3.6554 3.6687 3.9863 3.9865 4.1046 4.1123 4.1396 4.1399 7.5396 7.5405 9.4867 9.4958 9.6921 9.6942 10.4363 10.4407 11.6822 11.6886 k = 0.0999 0.1620-0.0000 ( 4929 PWs) bands (ev): -13.2445 -13.2442 -12.5526 -12.5524 -11.1003 -11.0980 -10.4397 -10.4281 -9.3896 -9.3777 -9.3161 -9.2892 -4.2691 -4.2646 -4.0807 -4.0802 -2.7724 -2.7535 -1.3028 -1.2213 -0.9352 -0.9128 -0.4445 -0.3913 0.7963 0.8240 1.1838 1.1934 1.2218 1.2443 1.4186 1.4218 2.4161 2.4193 2.6605 2.6791 3.1926 3.1986 3.3697 3.3772 3.6333 3.6456 3.9764 3.9768 4.1136 4.1211 4.1395 4.1399 7.6057 7.6069 9.5196 9.5291 9.7117 9.7143 10.4541 10.4589 11.6281 11.6339 k = 0.1089 0.1768-0.0000 ( 4925 PWs) bands (ev): -13.2326 -13.2323 -12.5535 -12.5533 -11.0909 -11.0885 -10.5004 -10.4894 -9.3838 -9.3710 -9.2916 -9.2641 -4.2518 -4.2471 -4.1070 -4.1070 -2.6889 -2.6691 -1.3373 -1.2562 -0.9588 -0.9341 -0.4041 -0.3527 0.8499 0.8792 1.1286 1.1304 1.1795 1.1938 1.4302 1.4341 2.4183 2.4218 2.6626 2.6819 3.1409 3.1466 3.3814 3.3897 3.6134 3.6244 3.9665 3.9671 4.1227 4.1301 4.1390 4.1399 7.6749 7.6764 9.5532 9.5629 9.7327 9.7360 10.4714 10.4767 11.5740 11.5792 k = 0.1180 0.1915-0.0000 ( 4926 PWs) bands (ev): -13.2199 -13.2195 -12.5545 -12.5543 -11.0807 -11.0780 -10.5612 -10.5507 -9.3776 -9.3639 -9.2697 -9.2417 -4.2333 -4.2282 -4.1311 -4.1306 -2.6042 -2.5837 -1.3701 -1.2897 -0.9839 -0.9569 -0.3614 -0.3119 0.9043 0.9346 1.0648 1.0676 1.1347 1.1432 1.4425 1.4469 2.4193 2.4229 2.6648 2.6846 3.0866 3.0921 3.3919 3.4011 3.5961 3.6058 3.9567 3.9575 4.1310 4.1382 4.1395 4.1406 7.7465 7.7484 9.5871 9.5968 9.7554 9.7594 10.4875 10.4933 11.5203 11.5249 k = 0.1271 0.2062-0.0000 ( 4934 PWs) bands (ev): -13.2063 -13.2059 -12.5556 -12.5554 -11.0696 -11.0666 -10.6219 -10.6119 -9.3712 -9.3565 -9.2505 -9.2221 -4.2134 -4.2081 -4.1527 -4.1517 -2.5186 -2.4973 -1.4012 -1.3216 -1.0104 -0.9810 -0.3165 -0.2687 0.9575 0.9720 1.0016 1.0142 1.0879 1.0940 1.4554 1.4603 2.4187 2.4224 2.6669 2.6871 3.0311 3.0367 3.3993 3.4095 3.5824 3.5906 3.9472 3.9481 4.1348 4.1372 4.1459 4.1492 7.8202 7.8224 9.6206 9.6302 9.7798 9.7847 10.5014 10.5077 11.4677 11.4719 k = 0.1362 0.2210-0.0000 ( 4930 PWs) bands (ev): -13.1920 -13.1916 -12.5567 -12.5565 -11.0575 -11.0543 -10.6823 -10.6729 -9.3644 -9.3488 -9.2339 -9.2052 -4.1924 -4.1869 -4.1716 -4.1702 -2.4322 -2.4102 -1.4300 -1.3513 -1.0381 -1.0065 -0.2693 -0.2233 0.9129 0.9301 0.9962 1.0355 1.0600 1.0610 1.4686 1.4740 2.4165 2.4201 2.6688 2.6893 2.9756 2.9812 3.4023 3.4137 3.5731 3.5799 3.9380 3.9390 4.1347 4.1360 4.1553 4.1592 7.8953 7.8980 9.6532 9.6624 9.8061 9.8120 10.5121 10.5189 11.4172 11.4210 k = 0.1452 0.2357-0.0000 ( 4942 PWs) bands (ev): -13.1770 -13.1765 -12.5580 -12.5577 -11.0445 -11.0410 -10.7425 -10.7335 -9.3573 -9.3408 -9.2200 -9.1910 -4.1890 -4.1875 -4.1697 -4.1637 -2.3453 -2.3226 -1.4563 -1.3786 -1.0669 -1.0331 -0.2200 -0.1757 0.8368 0.8552 0.9692 0.9868 1.0904 1.1162 1.4823 1.4880 2.4125 2.4157 2.6703 2.6910 2.9206 2.9266 3.4005 3.4127 3.5687 3.5744 3.9293 3.9305 4.1338 4.1347 4.1655 4.1695 7.9715 7.9747 9.6845 9.6932 9.8345 9.8416 10.5182 10.5254 11.3699 11.3732 k = 0.1543 0.2504-0.0000 ( 4940 PWs) bands (ev): -13.1613 -13.1608 -12.5592 -12.5590 -11.0304 -11.0268 -10.8021 -10.7936 -9.3500 -9.3327 -9.2086 -9.1795 -4.2038 -4.2020 -4.1463 -4.1401 -2.2580 -2.2345 -1.4798 -1.4031 -1.0967 -1.0607 -0.1686 -0.1259 0.7566 0.7765 0.9181 0.9349 1.1442 1.1742 1.4962 1.5021 2.4066 2.4094 2.6707 2.6917 2.8671 2.8738 3.3942 3.4069 3.5688 3.5738 3.9212 3.9225 4.1326 4.1335 4.1759 4.1797 8.0484 8.0521 9.7141 9.7221 9.8652 9.8734 10.5182 10.5258 11.3268 11.3299 k = 0.1634 0.2651-0.0000 ( 4944 PWs) bands (ev): -13.1450 -13.1445 -12.5606 -12.5604 -11.0155 -11.0115 -10.8611 -10.8531 -9.3426 -9.3243 -9.1998 -9.1705 -4.2169 -4.2149 -4.1218 -4.1154 -2.1706 -2.1463 -1.5001 -1.4246 -1.1274 -1.0892 -0.1152 -0.0741 0.6733 0.6944 0.8635 0.8818 1.2005 1.2319 1.5105 1.5163 2.3987 2.4010 2.6689 2.6903 2.8166 2.8242 3.3848 3.3975 3.5723 3.5770 3.9138 3.9152 4.1315 4.1322 4.1860 4.1896 8.1255 8.1298 9.7418 9.7492 9.8982 9.9074 10.5109 10.5188 11.2892 11.2921 k = 0.1725 0.2799-0.0000 ( 4942 PWs) bands (ev): -13.1282 -13.1277 -12.5620 -12.5618 -10.9995 -10.9952 -10.9195 -10.9120 -9.3351 -9.3160 -9.1933 -9.1641 -4.2285 -4.2264 -4.0962 -4.0897 -2.0832 -2.0582 -1.5169 -1.4428 -1.1588 -1.1184 -0.0600 -0.0203 0.5871 0.6092 0.8076 0.8278 1.2567 1.2885 1.5254 1.5308 2.3890 2.3906 2.6624 2.6835 2.7724 2.7805 3.3735 3.3860 3.5779 3.5826 3.9074 3.9088 4.1305 4.1312 4.1957 4.1990 8.2026 8.2075 9.7678 9.7745 9.9333 9.9435 10.4951 10.5033 11.2579 11.2606 k = 0.1815 0.2946-0.0000 ( 4928 PWs) bands (ev): -13.1109 -13.1104 -12.5634 -12.5632 -10.9838 -10.9781 -10.9758 -10.9698 -9.3275 -9.3075 -9.1892 -9.1600 -4.2388 -4.2365 -4.0697 -4.0630 -1.9963 -1.9703 -1.5299 -1.4573 -1.1907 -1.1481 -0.0031 0.0352 0.4983 0.5210 0.7511 0.7733 1.3118 1.3428 1.5416 1.5457 2.3774 2.3781 2.6465 2.6641 2.7419 2.7474 3.3616 3.3736 3.5845 3.5895 3.9019 3.9033 4.1298 4.1304 4.2045 4.2077 8.2793 8.2849 9.7924 9.7985 9.9705 9.9815 10.4702 10.4784 11.2334 11.2360 k = 0.1906 0.3093-0.0000 ( 4938 PWs) bands (ev): -13.0932 -13.0927 -12.5649 -12.5647 -11.0342 -11.0273 -10.9640 -10.9594 -9.3200 -9.2992 -9.1872 -9.1582 -4.2480 -4.2457 -4.0424 -4.0355 -1.9103 -1.8830 -1.5385 -1.4678 -1.2229 -1.1783 0.0553 0.0922 0.4073 0.4303 0.6943 0.7186 1.3646 1.3933 1.5602 1.5617 2.3634 2.3637 2.6186 2.6298 2.7278 2.7281 3.3498 3.3612 3.5915 3.5968 3.8974 3.8988 4.1294 4.1300 4.2122 4.2152 8.3553 8.3616 9.8159 9.8215 10.0094 10.0209 10.4361 10.4444 11.2153 11.2177 k = 0.1997 0.3241-0.0000 ( 4926 PWs) bands (ev): -13.0752 -13.0746 -12.5665 -12.5663 -11.0900 -11.0836 -10.9448 -10.9399 -9.3126 -9.2910 -9.1873 -9.1586 -4.2564 -4.2540 -4.0142 -4.0073 -1.8259 -1.7969 -1.5420 -1.4739 -1.2553 -1.2086 0.1149 0.1500 0.3146 0.3374 0.6376 0.6638 1.4134 1.4374 1.5801 1.5835 2.3463 2.3476 2.5830 2.5893 2.7184 2.7217 3.3388 3.3495 3.5983 3.6040 3.8941 3.8954 4.1296 4.1301 4.2185 4.2214 8.4303 8.4375 9.8388 9.8441 10.0498 10.0617 10.3935 10.4018 11.2029 11.2050 k = 0.2088 0.3388-0.0000 ( 4920 PWs) bands (ev): -13.0569 -13.0563 -12.5681 -12.5679 -11.1449 -11.1388 -10.9245 -10.9192 -9.3054 -9.2830 -9.1893 -9.1609 -4.2642 -4.2618 -3.9854 -3.9784 -1.7449 -1.7127 -1.5386 -1.4745 -1.2875 -1.2389 0.1742 0.1972 0.2317 0.2436 0.5813 0.6092 1.4557 1.4722 1.6030 1.6140 2.3261 2.3288 2.5461 2.5491 2.7128 2.7180 3.3289 3.3389 3.6047 3.6108 3.8921 3.8931 4.1304 4.1309 4.2232 4.2260 8.5043 8.5122 9.8616 9.8665 10.0914 10.1036 10.3436 10.3517 11.1946 11.1963 k = 0.2179 0.3535-0.0000 ( 4910 PWs) bands (ev): -13.0384 -13.0378 -12.5696 -12.5695 -11.1987 -11.1930 -10.9030 -10.8974 -9.2985 -9.2753 -9.1931 -9.1650 -4.2716 -4.2692 -3.9560 -3.9490 -1.6715 -1.6329 -1.5242 -1.4675 -1.3195 -1.2690 0.1181 0.1422 0.2400 0.2744 0.5254 0.5550 1.4888 1.4966 1.6328 1.6527 2.3024 2.3064 2.5113 2.5121 2.7083 2.7144 3.3204 3.3296 3.6104 3.6170 3.8913 3.8921 4.1320 4.1324 4.2260 4.2288 8.5768 8.5855 9.8847 9.8893 10.1341 10.1464 10.2877 10.2955 11.1885 11.1895 k = 0.2269 0.3683-0.0000 ( 4916 PWs) bands (ev): -13.0198 -13.0192 -12.5712 -12.5711 -11.2513 -11.2460 -10.8804 -10.8745 -9.2919 -9.2680 -9.1984 -9.1708 -4.2788 -4.2764 -3.9261 -3.9190 -1.6149 -1.5635 -1.4898 -1.4468 -1.3508 -1.2986 0.0202 0.0444 0.3011 0.3349 0.4703 0.5014 1.5117 1.5124 1.6704 1.6974 2.2746 2.2798 2.4799 2.4809 2.7038 2.7102 3.3135 3.3218 3.6154 3.6223 3.8918 3.8923 4.1345 4.1348 4.2268 4.2296 8.6478 8.6574 9.9084 9.9126 10.1775 10.1893 10.2277 10.2346 11.1819 11.1821 k = 0.2360 0.3830-0.0000 ( 4920 PWs) bands (ev): -13.0012 -13.0005 -12.5729 -12.5727 -11.3028 -11.2977 -10.8566 -10.8503 -9.2858 -9.2613 -9.2053 -9.1781 -4.2860 -4.2835 -3.8957 -3.8887 -1.5796 -1.5159 -1.4310 -1.4012 -1.3812 -1.3274 -0.0795 -0.0557 0.3611 0.3962 0.4180 0.4486 1.5223 1.5262 1.7137 1.7454 2.2425 2.2486 2.4534 2.4555 2.6986 2.7051 3.3081 3.3156 3.6194 3.6268 3.8936 3.8937 4.1381 4.1383 4.2254 4.2282 8.7171 8.7276 9.9330 9.9369 10.1613 10.1689 10.2230 10.2358 11.1695 11.1715 k = 0.2451 0.3977-0.0000 ( 4920 PWs) bands (ev): -12.9826 -12.9819 -12.5744 -12.5743 -11.3529 -11.3482 -10.8316 -10.8250 -9.2803 -9.2551 -9.2133 -9.1868 -4.2933 -4.2907 -3.8651 -3.8581 -1.5551 -1.4872 -1.4104 -1.3583 -1.3560 -1.3329 -0.1805 -0.1570 0.3575 0.3953 0.4301 0.4586 1.5280 1.5349 1.7601 1.7948 2.2066 2.2134 2.4326 2.4354 2.6925 2.6988 3.3044 3.3110 3.6225 3.6304 3.8964 3.8967 4.1428 4.1429 4.2216 4.2245 8.7846 8.7959 9.9587 9.9621 10.0946 10.1018 10.2680 10.2807 11.1464 11.1496 k = 0.2542 0.4124-0.0000 ( 4922 PWs) bands (ev): -12.9641 -12.9634 -12.5760 -12.5759 -11.4018 -11.3974 -10.8055 -10.7985 -9.2755 -9.2497 -9.2226 -9.1966 -4.3007 -4.2982 -3.8342 -3.8274 -1.5330 -1.4641 -1.4376 -1.3822 -1.2811 -1.2575 -0.2822 -0.2591 0.3059 0.3440 0.4904 0.5194 1.5309 1.5395 1.8078 1.8443 2.1677 2.1749 2.4169 2.4199 2.6852 2.6913 3.3022 3.3080 3.6246 3.6329 3.9003 3.9011 4.1488 4.1488 4.2155 4.2183 8.8502 8.8624 9.9854 9.9875 10.0270 10.0327 10.3140 10.3265 11.1065 11.1080 k = 0.2632 0.4272-0.0000 ( 4922 PWs) bands (ev): -12.9458 -12.9451 -12.5775 -12.5775 -11.4493 -11.4451 -10.7781 -10.7707 -9.2714 -9.2450 -9.2328 -9.2074 -4.3084 -4.3059 -3.8032 -3.7965 -1.5119 -1.4607 -1.4404 -1.4073 -1.2026 -1.1795 -0.3845 -0.3618 0.2539 0.2932 0.5508 0.5794 1.5316 1.5414 1.8555 1.8932 2.1268 2.1341 2.4054 2.4085 2.6770 2.6827 3.3016 3.3065 3.6258 3.6345 3.9054 3.9067 4.1560 4.1561 4.2068 4.2097 8.9139 8.9270 9.9540 9.9618 10.0141 10.0183 10.3607 10.3730 11.0471 11.0495 k = 0.2723 0.4419-0.0000 ( 4928 PWs) bands (ev): -12.9278 -12.9270 -12.5790 -12.5789 -11.4953 -11.4914 -10.7495 -10.7418 -9.2682 -9.2438 -9.2413 -9.2192 -4.3165 -4.3139 -3.7721 -3.7656 -1.5042 -1.4656 -1.4309 -1.4139 -1.1245 -1.1016 -0.4870 -0.4648 0.2025 0.2431 0.6096 0.6375 1.5308 1.5413 1.9026 1.9411 2.0847 2.0920 2.3975 2.4003 2.6677 2.6729 3.3023 3.3064 3.6259 3.6351 3.9116 3.9134 4.1646 4.1648 4.1957 4.1986 8.9756 8.9895 9.8841 9.8911 10.0433 10.0468 10.4080 10.4200 10.9758 10.9819 k = 0.2814 0.4566-0.0000 ( 4932 PWs) bands (ev): -12.9101 -12.9094 -12.5803 -12.5803 -11.5399 -11.5363 -10.7198 -10.7117 -9.2662 -9.2553 -9.2387 -9.2316 -4.3249 -4.3224 -3.7411 -3.7348 -1.5197 -1.4522 -1.4421 -1.3847 -1.0474 -1.0247 -0.5893 -0.5678 0.1518 0.1939 0.6659 0.6931 1.5293 1.5402 1.9485 1.9874 2.0422 2.0497 2.3925 2.3950 2.6577 2.6623 3.3043 3.3076 3.6251 3.6347 3.9189 3.9212 4.1747 4.1747 4.1823 4.1851 9.0354 9.0500 9.8137 9.8202 10.0737 10.0769 10.4558 10.4675 10.9012 10.9100 k = 0.2905 0.4714-0.0000 ( 4936 PWs) bands (ev): -12.8929 -12.8921 -12.5816 -12.5816 -11.5830 -11.5796 -10.6889 -10.6803 -9.2686 -9.2640 -9.2447 -9.2371 -4.3337 -4.3311 -3.7102 -3.7040 -1.5384 -1.4715 -1.4096 -1.3521 -0.9718 -0.9492 -0.6913 -0.6704 0.1018 0.1453 0.7186 0.7450 1.5279 1.5389 1.9891 2.0038 2.0041 2.0353 2.3900 2.3920 2.6470 2.6509 3.3074 3.3100 3.6233 3.6333 3.9272 3.9301 4.1657 4.1689 4.1863 4.1867 9.0932 9.1086 9.7437 9.7499 10.1050 10.1079 10.5042 10.5153 10.8270 10.8374 k = 0.2996 0.4861-0.0000 ( 4936 PWs) bands (ev): -12.8761 -12.8753 -12.5828 -12.5827 -11.6245 -11.6213 -10.6568 -10.6478 -9.2807 -9.2646 -9.2581 -9.2368 -4.3429 -4.3403 -3.6794 -3.6735 -1.5557 -1.4885 -1.3728 -1.3161 -0.8986 -0.8754 -0.7918 -0.7722 0.0525 0.0974 0.7666 0.7921 1.5276 1.5385 1.9559 1.9627 2.0378 2.0775 2.3896 2.3910 2.6360 2.6390 3.3115 3.3134 3.6206 3.6310 3.9365 3.9400 4.1473 4.1506 4.1992 4.1995 9.1491 9.1652 9.6746 9.6804 10.1368 10.1395 10.5531 10.5632 10.7549 10.7666 k = 0.3086 0.5008-0.0000 ( 4932 PWs) bands (ev): -12.8600 -12.8591 -12.5838 -12.5837 -11.6644 -11.6614 -10.6236 -10.6142 -9.2936 -9.2719 -9.2661 -9.2379 -4.3523 -4.3497 -3.6487 -3.6431 -1.5709 -1.5032 -1.3324 -1.2768 -0.8953 -0.8729 -0.8231 -0.8036 0.0038 0.0501 0.8086 0.8330 1.5295 1.5400 1.9145 1.9208 2.0791 2.1190 2.3909 2.3916 2.6249 2.6269 3.3164 3.3177 3.6170 3.6279 3.9469 3.9508 4.1267 4.1301 4.2133 4.2135 9.2030 9.2198 9.6067 9.6121 10.1688 10.1714 10.6023 10.6101 10.6858 10.6997 k = 0.3177 0.5156-0.0000 ( 4914 PWs) bands (ev): -12.8444 -12.8436 -12.5847 -12.5846 -11.7026 -11.6999 -10.5893 -10.5794 -9.3066 -9.2858 -9.2689 -9.2405 -4.3620 -4.3594 -3.6182 -3.6128 -1.5838 -1.5159 -1.2888 -1.2343 -0.9923 -0.9717 -0.7544 -0.7341 -0.0444 0.0033 0.8430 0.8663 1.5349 1.5446 1.8737 1.8796 2.1187 2.1587 2.3935 2.3937 2.6141 2.6149 3.3221 3.3227 3.6126 3.6239 3.9582 3.9625 4.1039 4.1074 4.2285 4.2285 9.2551 9.2724 9.5403 9.5453 10.2008 10.2032 10.6204 10.6240 10.6519 10.6696 k = 0.3268 0.5303-0.0000 ( 4910 PWs) bands (ev): -12.8296 -12.8287 -12.5854 -12.5852 -11.7392 -11.7367 -10.5539 -10.5436 -9.3197 -9.2998 -9.2731 -9.2446 -4.3720 -4.3693 -3.5879 -3.5828 -1.5949 -1.5272 -1.2428 -1.1889 -1.0874 -1.0677 -0.6868 -0.6668 -0.0922 -0.0432 0.8687 0.8906 1.5449 1.5536 1.8341 1.8395 2.1564 2.1962 2.3963 2.3976 2.6035 2.6041 3.3283 3.3284 3.6075 3.6191 3.9705 3.9751 4.0792 4.0828 4.2444 4.2446 9.3054 9.3232 9.4757 9.4804 10.2322 10.2345 10.5593 10.5679 10.7015 10.7133 k = 0.3359 0.5450-0.0000 ( 4906 PWs) bands (ev): -12.8155 -12.8147 -12.5858 -12.5856 -11.7741 -11.7718 -10.5175 -10.5068 -9.3328 -9.3138 -9.2789 -9.2503 -4.3820 -4.3794 -3.5576 -3.5528 -1.6051 -1.5384 -1.2039 -1.1688 -1.1595 -1.1404 -0.6216 -0.6022 -0.1396 -0.0893 0.8845 0.9050 1.5604 1.5677 1.7959 1.8006 2.1920 2.2316 2.3994 2.4019 2.5931 2.5954 3.3345 3.3350 3.6016 3.6137 3.9838 3.9886 4.0528 4.0566 4.2609 4.2614 9.3537 9.3719 9.4133 9.4176 10.2628 10.2649 10.5026 10.5117 10.7512 10.7615 k = 0.3449 0.5597-0.0000 ( 4920 PWs) bands (ev): -12.8023 -12.8015 -12.5860 -12.5858 -11.8073 -11.8051 -10.4802 -10.4690 -9.3457 -9.3276 -9.2864 -9.2578 -4.3921 -4.3895 -3.5274 -3.5228 -1.6163 -1.5525 -1.2702 -1.2431 -1.1364 -1.0897 -0.5588 -0.5402 -0.1868 -0.1353 0.8900 0.9090 1.5815 1.5869 1.7595 1.7632 2.2255 2.2647 2.4024 2.4062 2.5845 2.5886 3.3410 3.3419 3.5951 3.6075 3.9979 4.0028 4.0249 4.0289 4.2778 4.2785 9.3527 9.3569 9.4006 9.4188 10.2919 10.2937 10.4507 10.4598 10.8009 10.8101 k = 0.3449 0.5597-0.0000 ( 4920 PWs) bands (ev): -12.8023 -12.8015 -12.5860 -12.5858 -11.8073 -11.8051 -10.4802 -10.4690 -9.3457 -9.3276 -9.2864 -9.2578 -4.3921 -4.3895 -3.5274 -3.5228 -1.6163 -1.5525 -1.2702 -1.2431 -1.1364 -1.0897 -0.5588 -0.5402 -0.1868 -0.1353 0.8900 0.9090 1.5815 1.5869 1.7595 1.7632 2.2255 2.2647 2.4024 2.4062 2.5845 2.5886 3.3410 3.3419 3.5951 3.6075 3.9979 4.0028 4.0249 4.0289 4.2778 4.2785 9.3527 9.3569 9.4006 9.4188 10.2919 10.2937 10.4507 10.4598 10.8009 10.8101 k = 0.3277 0.5597-0.0000 ( 4913 PWs) bands (ev): -12.8095 -12.8086 -12.5866 -12.5864 -11.7886 -11.7864 -10.5003 -10.4893 -9.3390 -9.3205 -9.2820 -9.2535 -4.3866 -4.3841 -3.5441 -3.5395 -1.6107 -1.5452 -1.2355 -1.2105 -1.1533 -1.1116 -0.5894 -0.5698 -0.1603 -0.1095 0.8883 0.9080 1.5667 1.5746 1.7779 1.7840 2.2071 2.2461 2.4026 2.4058 2.5902 2.5934 3.3380 3.3388 3.5976 3.6098 3.9903 3.9952 4.0399 4.0438 4.2684 4.2689 9.3640 9.3717 9.3979 9.4068 10.2759 10.2809 10.4770 10.4878 10.7763 10.7859 k = 0.3104 0.5597-0.0000 ( 4909 PWs) bands (ev): -12.8174 -12.8166 -12.5883 -12.5881 -11.7666 -11.7642 -10.5209 -10.5102 -9.3323 -9.3136 -9.2776 -9.2493 -4.3808 -4.3782 -3.5627 -3.5579 -1.6071 -1.5411 -1.2288 -1.2049 -1.1363 -1.1149 -0.6147 -0.5938 -0.1308 -0.0807 0.8837 0.9043 1.5484 1.5591 1.7968 1.8057 2.1867 2.2249 2.4051 2.4085 2.5990 2.6015 3.3360 3.3366 3.5977 3.6096 3.9839 3.9889 4.0539 4.0577 4.2583 4.2588 9.3406 9.3536 9.4249 9.4278 10.2610 10.2689 10.5046 10.5182 10.7546 10.7645 k = 0.2932 0.5597-0.0000 ( 4918 PWs) bands (ev): -12.8259 -12.8251 -12.5911 -12.5909 -11.7416 -11.7391 -10.5423 -10.5318 -9.3256 -9.3069 -9.2731 -9.2453 -4.3745 -4.3720 -3.5829 -3.5781 -1.6056 -1.5401 -1.2454 -1.2152 -1.1069 -1.0978 -0.6322 -0.6099 -0.0990 -0.0495 0.8768 0.8982 1.5275 1.5404 1.8155 1.8262 2.1663 2.2031 2.4093 2.4137 2.6106 2.6125 3.3347 3.3354 3.5950 3.6065 3.9794 3.9845 4.0655 4.0692 4.2485 4.2491 9.3159 9.3294 9.4510 9.4528 10.2480 10.2580 10.5330 10.5496 10.7360 10.7460 k = 0.2760 0.5597-0.0000 ( 4922 PWs) bands (ev): -12.8348 -12.8340 -12.5947 -12.5946 -11.7140 -11.7113 -10.5643 -10.5541 -9.3191 -9.3005 -9.2685 -9.2414 -4.3678 -4.3653 -3.6046 -3.5998 -1.6062 -1.5424 -1.2646 -1.2326 -1.0817 -1.0763 -0.6393 -0.6162 -0.0654 -0.0165 0.8679 0.8901 1.5042 1.5188 1.8319 1.8435 2.1479 2.1828 2.4149 2.4205 2.6246 2.6261 3.3339 3.3349 3.5894 3.6005 3.9771 3.9824 4.0732 4.0769 4.2403 4.2412 9.2926 9.3059 9.4739 9.4752 10.2373 10.2489 10.5611 10.5803 10.7212 10.7314 k = 0.2587 0.5597-0.0000 ( 4920 PWs) bands (ev): -12.8437 -12.8430 -12.5991 -12.5989 -11.6841 -11.6813 -10.5870 -10.5771 -9.3126 -9.2944 -9.2639 -9.2376 -4.3605 -4.3580 -3.6277 -3.6228 -1.6090 -1.5481 -1.2821 -1.2514 -1.0639 -1.0592 -0.6351 -0.6118 -0.0303 0.0180 0.8575 0.8806 1.4790 1.4948 1.8436 1.8552 2.1343 2.1662 2.4218 2.4285 2.6404 2.6418 3.3335 3.3347 3.5812 3.5918 3.9771 3.9825 4.0755 4.0791 4.2354 4.2366 9.2710 9.2839 9.4933 9.4941 10.2292 10.2417 10.5867 10.6081 10.7120 10.7223 k = 0.2415 0.5597-0.0000 ( 4925 PWs) bands (ev): -12.8527 -12.8520 -12.6040 -12.6038 -11.6524 -11.6495 -10.6105 -10.6008 -9.3063 -9.2887 -9.2592 -9.2340 -4.3527 -4.3503 -3.6518 -3.6470 -1.6139 -1.5568 -1.2975 -1.2697 -1.0534 -1.0477 -0.6201 -0.5974 0.0060 0.0537 0.8459 0.8700 1.4522 1.4690 1.8477 1.8589 2.1281 2.1557 2.4296 2.4372 2.6579 2.6592 3.3330 3.3346 3.5708 3.5809 3.9791 3.9845 4.0714 4.0748 4.2349 4.2364 9.2515 9.2637 9.5092 9.5095 10.2236 10.2368 10.6070 10.6283 10.7124 10.7212 k = 0.2242 0.5597-0.0000 ( 4921 PWs) bands (ev): -12.8616 -12.8609 -12.6092 -12.6091 -11.6191 -11.6161 -10.6346 -10.6253 -9.3002 -9.2834 -9.2544 -9.2305 -4.3442 -4.3419 -3.6769 -3.6722 -1.6206 -1.5682 -1.3117 -1.2876 -1.0481 -1.0404 -0.5965 -0.5749 0.0434 0.0904 0.8334 0.8586 1.4244 1.4419 1.8420 1.8533 2.1311 2.1534 2.4380 2.4464 2.6768 2.6780 3.3319 3.3339 3.5590 3.5685 3.9826 3.9879 4.0610 4.0643 4.2390 4.2406 9.2340 9.2455 9.5217 9.5218 10.2206 10.2341 10.6191 10.6368 10.7257 10.7309 k = 0.2070 0.5597-0.0000 ( 4923 PWs) bands (ev): -12.8703 -12.8696 -12.6146 -12.6145 -11.5848 -11.5816 -10.6594 -10.6504 -9.2943 -9.2786 -9.2496 -9.2273 -4.3351 -4.3328 -3.7026 -3.6981 -1.6288 -1.5813 -1.3255 -1.3052 -1.0450 -1.0353 -0.5670 -0.5470 0.0815 0.1279 0.8203 0.8467 1.3961 1.4142 1.8261 1.8388 2.1427 2.1597 2.4467 2.4557 2.6966 2.6980 3.3297 3.3322 3.5470 3.5558 3.9868 3.9918 4.0462 4.0490 4.2464 4.2481 9.2185 9.2293 9.5309 9.5314 10.2199 10.2334 10.6237 10.6368 10.7467 10.7518 k = 0.1897 0.5597-0.0000 ( 4925 PWs) bands (ev): -12.8786 -12.8779 -12.6200 -12.6199 -11.5496 -11.5463 -10.6849 -10.6761 -9.2887 -9.2742 -9.2448 -9.2242 -4.3254 -4.3232 -3.7288 -3.7244 -1.6379 -1.5955 -1.3397 -1.3229 -1.0418 -1.0306 -0.5344 -0.5160 0.1202 0.1658 0.8068 0.8344 1.3678 1.3866 1.8019 1.8167 2.1610 2.1732 2.4553 2.4648 2.7172 2.7189 3.3254 3.3284 3.5360 3.5440 3.9896 3.9934 4.0304 4.0321 4.2560 4.2577 9.2050 9.2150 9.5375 9.5383 10.2214 10.2347 10.6243 10.6340 10.7707 10.7784 k = 0.1725 0.5597-0.0000 ( 4924 PWs) bands (ev): -12.8864 -12.8858 -12.6253 -12.6252 -11.5139 -11.5105 -10.7109 -10.7024 -9.2834 -9.2702 -9.2401 -9.2214 -4.3150 -4.3129 -3.7551 -3.7510 -1.6475 -1.6100 -1.3546 -1.3408 -1.0373 -1.0253 -0.5006 -0.4839 0.1593 0.2041 0.7930 0.8218 1.3404 1.3596 1.7722 1.7888 2.1836 2.1921 2.4637 2.4735 2.7384 2.7403 3.3184 3.3220 3.5273 3.5344 3.9841 3.9852 4.0208 4.0225 4.2666 4.2682 9.1934 9.2026 9.5418 9.5428 10.2248 10.2375 10.6237 10.6312 10.7960 10.8057 k = 0.1552 0.5597-0.0000 ( 4925 PWs) bands (ev): -12.8938 -12.8932 -12.6304 -12.6303 -11.4781 -11.4746 -10.7372 -10.7292 -9.2784 -9.2666 -9.2356 -9.2188 -4.3040 -4.3020 -3.7813 -3.7774 -1.6571 -1.6243 -1.3700 -1.3586 -1.0310 -1.0189 -0.4672 -0.4523 0.1985 0.2424 0.7789 0.8089 1.3145 1.3342 1.7391 1.7569 2.2085 2.2142 2.4716 2.4815 2.7597 2.7620 3.3081 3.3123 3.5220 3.5282 3.9646 3.9665 4.0210 4.0244 4.2775 4.2790 9.1835 9.1918 9.5443 9.5455 10.2295 10.2416 10.6233 10.6293 10.8209 10.8318 k = 0.1380 0.5597-0.0000 ( 4925 PWs) bands (ev): -12.9005 -12.9000 -12.6352 -12.6350 -11.4425 -11.4389 -10.7639 -10.7562 -9.2739 -9.2635 -9.2313 -9.2164 -4.2926 -4.2907 -3.8071 -3.8035 -1.6664 -1.6379 -1.3856 -1.3760 -1.0232 -1.0114 -0.4354 -0.4223 0.2376 0.2805 0.7643 0.7955 1.2908 1.3109 1.7043 1.7228 2.2343 2.2378 2.4788 2.4887 2.7810 2.7836 3.2945 3.2991 3.5206 3.5259 3.9398 3.9422 4.0261 4.0297 4.2880 4.2893 9.1752 9.1826 9.5454 9.5467 10.2354 10.2467 10.6237 10.6285 10.8442 10.8556 k = 0.1207 0.5597-0.0000 ( 4927 PWs) bands (ev): -12.9066 -12.9062 -12.6395 -12.6394 -11.4075 -11.4039 -10.7905 -10.7833 -9.2698 -9.2608 -9.2273 -9.2144 -4.2808 -4.2790 -3.8321 -3.8287 -1.6749 -1.6505 -1.4006 -1.3927 -1.0142 -1.0033 -0.4061 -0.3947 0.2763 0.3181 0.7491 0.7813 1.2702 1.2904 1.6691 1.6878 2.2598 2.2618 2.4853 2.4949 2.8020 2.8048 3.2781 3.2830 3.5230 3.5276 3.9134 3.9160 4.0323 4.0357 4.2978 4.2990 9.1683 9.1749 9.5455 9.5468 10.2420 10.2522 10.6250 10.6289 10.8652 10.8765 k = 0.1035 0.5597-0.0000 ( 4929 PWs) bands (ev): -12.9120 -12.9116 -12.6434 -12.6433 -11.3737 -11.3701 -10.8167 -10.8100 -9.2661 -9.2585 -9.2237 -9.2127 -4.2688 -4.2672 -3.8558 -3.8528 -1.6825 -1.6619 -1.4147 -1.4081 -1.0048 -0.9950 -0.3797 -0.3701 0.3143 0.3547 0.7331 0.7660 1.2534 1.2733 1.6347 1.6530 2.2839 2.2853 2.4909 2.5001 2.8222 2.8253 3.2598 3.2649 3.5288 3.5328 3.8868 3.8894 4.0385 4.0416 4.3067 4.3077 9.1628 9.1685 9.5449 9.5461 10.2488 10.2579 10.6270 10.6302 10.8835 10.8942 k = 0.0862 0.5597-0.0000 ( 4926 PWs) bands (ev): -12.9167 -12.9163 -12.6467 -12.6467 -11.3416 -11.3381 -10.8421 -10.8360 -9.2628 -9.2566 -9.2204 -9.2113 -4.2571 -4.2556 -3.8777 -3.8751 -1.6889 -1.6720 -1.4273 -1.4220 -0.9954 -0.9870 -0.3569 -0.3489 0.3513 0.3897 0.7164 0.7493 1.2408 1.2598 1.6023 1.6197 2.3058 2.3072 2.4956 2.5042 2.8414 2.8446 3.2408 3.2459 3.5372 3.5406 3.8609 3.8634 4.0442 4.0468 4.3144 4.3153 9.1585 9.1632 9.5439 9.5450 10.2556 10.2634 10.6295 10.6321 10.8988 10.9085 k = 0.0690 0.5597-0.0000 ( 4932 PWs) bands (ev): -12.9205 -12.9203 -12.6496 -12.6495 -11.3120 -11.3087 -10.8657 -10.8604 -9.2601 -9.2552 -9.2175 -9.2103 -4.2460 -4.2448 -3.8973 -3.8951 -1.6939 -1.6806 -1.4381 -1.4338 -0.9868 -0.9799 -0.3378 -0.3315 0.3866 0.4225 0.6992 0.7311 1.2326 1.2499 1.5732 1.5889 2.3250 2.3267 2.4995 2.5071 2.8589 2.8620 3.2225 3.2272 3.5472 3.5502 3.8366 3.8390 4.0492 4.0513 4.3209 4.3216 9.1552 9.1590 9.5428 9.5437 10.2620 10.2683 10.6322 10.6342 10.9111 10.9194 k = 0.0517 0.5597-0.0000 ( 4944 PWs) bands (ev): -12.9235 -12.9233 -12.6518 -12.6517 -11.2862 -11.2833 -10.8866 -10.8822 -9.2578 -9.2542 -9.2150 -9.2097 -4.2362 -4.2352 -3.9138 -3.9120 -1.6976 -1.6877 -1.4466 -1.4434 -0.9794 -0.9741 -0.3227 -0.3180 0.4195 0.4514 0.6826 0.7119 1.2285 1.2431 1.5488 1.5619 2.3410 2.3427 2.5027 2.5088 2.8742 2.8769 3.2063 3.2103 3.5578 3.5603 3.8152 3.8173 4.0532 4.0548 4.3261 4.3266 9.1529 9.1558 9.5417 9.5424 10.2675 10.2724 10.6347 10.6362 10.9206 10.9271 k = 0.0345 0.5597-0.0000 ( 4946 PWs) bands (ev): -12.9257 -12.9256 -12.6534 -12.6533 -11.2655 -11.2633 -10.9033 -10.9001 -9.2560 -9.2536 -9.2130 -9.2095 -4.2283 -4.2276 -3.9263 -3.9251 -1.6998 -1.6933 -1.4527 -1.4506 -0.9735 -0.9700 -0.3116 -0.3085 0.4487 0.4741 0.6689 0.6926 1.2277 1.2384 1.5307 1.5403 2.3532 2.3546 2.5051 2.5096 2.8863 2.8884 3.1935 3.1964 3.5675 3.5693 3.7979 3.7995 4.0562 4.0573 4.3298 4.3302 9.1515 9.1534 9.5409 9.5414 10.2720 10.2753 10.6368 10.6378 10.9275 10.9320 k = 0.0172 0.5597-0.0000 ( 4958 PWs) bands (ev): -12.9270 -12.9269 -12.6543 -12.6543 -11.2517 -11.2505 -10.9139 -10.9122 -9.2547 -9.2535 -9.2115 -9.2097 -4.2231 -4.2227 -3.9341 -3.9335 -1.7005 -1.6973 -1.4562 -1.4552 -0.9695 -0.9677 -0.3047 -0.3031 0.4720 0.4867 0.6615 0.6755 1.2292 1.2349 1.5203 1.5254 2.3609 2.3617 2.5071 2.5094 2.8945 2.8956 3.1855 3.1870 3.5746 3.5756 3.7867 3.7876 4.0582 4.0588 4.3321 4.3323 9.1508 9.1517 9.5404 9.5406 10.2751 10.2767 10.6383 10.6388 10.9320 10.9343 k = 0.0000 0.5597-0.0000 ( 4952 PWs) bands (ev): -12.9274 -12.9274 -12.6546 -12.6546 -11.2465 -11.2465 -10.9171 -10.9171 -9.2538 -9.2538 -9.2104 -9.2104 -4.2211 -4.2211 -3.9366 -3.9366 -1.6997 -1.6997 -1.4571 -1.4571 -0.9676 -0.9676 -0.3018 -0.3018 0.4858 0.4858 0.6639 0.6639 1.2318 1.2318 1.5185 1.5185 2.3639 2.3639 2.5085 2.5085 2.8977 2.8977 3.1832 3.1832 3.5776 3.5776 3.7831 3.7831 4.0591 4.0591 4.3329 4.3329 9.1509 9.1509 9.5403 9.5403 10.2767 10.2767 10.6390 10.6390 10.9342 10.9342 k = 0.0000 0.5597-0.0000 ( 4952 PWs) bands (ev): -12.9274 -12.9274 -12.6546 -12.6546 -11.2465 -11.2465 -10.9171 -10.9171 -9.2538 -9.2538 -9.2104 -9.2104 -4.2211 -4.2211 -3.9366 -3.9366 -1.6997 -1.6997 -1.4571 -1.4571 -0.9676 -0.9676 -0.3018 -0.3018 0.4858 0.4858 0.6639 0.6639 1.2318 1.2318 1.5185 1.5185 2.3639 2.3639 2.5085 2.5085 2.8977 2.8977 3.1832 3.1832 3.5776 3.5776 3.7831 3.7831 4.0591 4.0591 4.3329 4.3329 9.1509 9.1509 9.5403 9.5403 10.2767 10.2767 10.6390 10.6390 10.9342 10.9342 k = 0.0000 0.5597 0.0173 ( 4960 PWs) bands (ev): -12.9271 -12.9270 -12.6546 -12.6546 -11.2457 -11.2457 -10.9166 -10.9165 -9.2559 -9.2556 -9.2125 -9.2124 -4.2198 -4.2196 -3.9349 -3.9341 -1.6968 -1.6967 -1.4590 -1.4585 -0.9674 -0.9666 -0.3106 -0.3068 0.4886 0.4930 0.6638 0.6654 1.2314 1.2319 1.5194 1.5201 2.3642 2.3647 2.5050 2.5053 2.8984 2.8995 3.1832 3.1838 3.5766 3.5768 3.7843 3.7851 4.0588 4.0591 4.3325 4.3327 9.1483 9.1501 9.5378 9.5381 10.2542 10.2622 10.6561 10.6621 10.9267 10.9322 k = 0.0000 0.5597 0.0346 ( 4954 PWs) bands (ev): -12.9260 -12.9260 -12.6545 -12.6545 -11.2432 -11.2432 -10.9151 -10.9149 -9.2619 -9.2611 -9.2187 -9.2185 -4.2157 -4.2152 -3.9289 -3.9274 -1.6881 -1.6879 -1.4644 -1.4633 -0.9656 -0.9641 -0.3323 -0.3252 0.5009 0.5094 0.6653 0.6685 1.2307 1.2316 1.5229 1.5244 2.3656 2.3667 2.4950 2.4955 2.9017 2.9037 3.1837 3.1849 3.5738 3.5743 3.7886 3.7902 4.0585 4.0591 4.3315 4.3318 9.1424 9.1459 9.5307 9.5312 10.2056 10.2189 10.7054 10.7147 10.9110 10.9212 k = 0.0000 0.5597 0.0519 ( 4958 PWs) bands (ev): -12.9242 -12.9242 -12.6544 -12.6544 -11.2391 -11.2391 -10.9125 -10.9123 -9.2716 -9.2705 -9.2289 -9.2286 -4.2087 -4.2080 -3.9188 -3.9165 -1.6737 -1.6733 -1.4736 -1.4720 -0.9619 -0.9596 -0.3653 -0.3554 0.5215 0.5333 0.6684 0.6729 1.2297 1.2311 1.5288 1.5310 2.3681 2.3696 2.4789 2.4796 2.9071 2.9100 3.1848 3.1866 3.5692 3.5699 3.7959 3.7982 4.0580 4.0590 4.3297 4.3302 9.1334 9.1386 9.5189 9.5194 10.1455 10.1623 10.7713 10.7819 10.8899 10.9034 k = 0.0000 0.5597 0.0692 ( 4950 PWs) bands (ev): -12.9218 -12.9217 -12.6542 -12.6542 -11.2334 -11.2333 -10.9089 -10.9086 -9.2850 -9.2835 -9.2431 -9.2427 -4.1989 -4.1980 -3.9046 -3.9016 -1.6536 -1.6532 -1.4873 -1.4851 -0.9552 -0.9524 -0.4075 -0.3956 0.5485 0.5627 0.6731 0.6787 1.2284 1.2302 1.5369 1.5397 2.3714 2.3733 2.4575 2.4583 2.9145 2.9181 3.1865 3.1888 3.5629 3.5639 3.8057 3.8087 4.0575 4.0588 4.3274 4.3280 9.1218 9.1286 9.5022 9.5025 10.0826 10.1021 10.8425 10.8503 10.8703 10.8830 k = 0.0000 0.5597 0.0864 ( 4950 PWs) bands (ev): -12.9186 -12.9186 -12.6540 -12.6540 -11.2260 -11.2260 -10.9042 -10.9038 -9.3020 -9.3002 -9.2612 -9.2606 -4.1864 -4.1853 -3.8864 -3.8827 -1.6281 -1.6279 -1.5060 -1.5030 -0.9448 -0.9414 -0.4570 -0.4437 0.5799 0.5955 0.6796 0.6856 1.2267 1.2289 1.5468 1.5502 2.3753 2.3770 2.4318 2.4323 2.9233 2.9275 3.1889 3.1916 3.5548 3.5561 3.8176 3.8212 4.0571 4.0587 4.3243 4.3251 9.1082 9.1165 9.4805 9.4805 10.0216 10.0435 10.8363 10.8524 10.9235 10.9331 k = 0.0000 0.5597 0.1037 ( 4948 PWs) bands (ev): -12.9148 -12.9148 -12.6538 -12.6538 -11.2170 -11.2169 -10.8985 -10.8980 -9.3224 -9.3202 -9.2829 -9.2823 -4.1712 -4.1699 -3.8644 -3.8601 -1.5979 -1.5975 -1.5300 -1.5259 -0.9298 -0.9260 -0.5119 -0.4977 0.6141 0.6295 0.6884 0.6936 1.2248 1.2274 1.5583 1.5620 2.3778 2.3788 2.4028 2.4053 2.9333 2.9380 3.1919 3.1951 3.5452 3.5468 3.8310 3.8350 4.0568 4.0587 4.3206 4.3215 9.0931 9.1028 9.4534 9.4538 9.9650 9.9892 10.8091 10.8267 10.9975 11.0073 k = 0.0000 0.5597 0.1210 ( 4942 PWs) bands (ev): -12.9104 -12.9103 -12.6536 -12.6536 -11.2063 -11.2062 -10.8917 -10.8911 -9.3460 -9.3435 -9.3082 -9.3074 -4.1534 -4.1520 -3.8388 -3.8338 -1.5700 -1.5642 -1.5577 -1.5477 -0.9095 -0.9055 -0.5706 -0.5559 0.6496 0.6613 0.7016 0.7026 1.2225 1.2256 1.5707 1.5748 2.3590 2.3656 2.3866 2.3950 2.9441 2.9491 3.1958 3.1993 3.5340 3.5359 3.8451 3.8495 4.0570 4.0592 4.3162 4.3172 9.0773 9.0883 9.4216 9.4226 9.9144 9.9408 10.7815 10.7998 11.0696 11.0790 k = 0.0000 0.5597 0.1383 ( 4940 PWs) bands (ev): -12.9053 -12.9053 -12.6535 -12.6535 -11.1940 -11.1939 -10.8838 -10.8831 -9.3727 -9.3699 -9.3368 -9.3358 -4.1331 -4.1316 -3.8098 -3.8041 -1.5953 -1.5935 -1.5222 -1.5197 -0.8838 -0.8796 -0.6314 -0.6168 0.6851 0.6851 0.7128 0.7240 1.2200 1.2235 1.5837 1.5881 2.3243 2.3299 2.3894 2.3972 2.9555 2.9608 3.2005 3.2042 3.5214 3.5235 3.8593 3.8638 4.0579 4.0603 4.3111 4.3123 9.0616 9.0738 9.3860 9.3876 9.8703 9.8989 10.7541 10.7728 11.1379 11.1467 k = 0.0000 0.5597 0.1556 ( 4940 PWs) bands (ev): -12.8997 -12.8996 -12.6533 -12.6533 -11.1800 -11.1799 -10.8747 -10.8740 -9.4023 -9.3991 -9.3685 -9.3674 -4.1103 -4.1087 -3.7775 -3.7713 -1.6358 -1.6328 -1.4794 -1.4780 -0.8523 -0.8483 -0.6926 -0.6788 0.7005 0.7159 0.7282 0.7549 1.2172 1.2212 1.5966 1.6012 2.2854 2.2909 2.3924 2.4005 2.9674 2.9728 3.2062 3.2101 3.5075 3.5099 3.8726 3.8772 4.0598 4.0623 4.3053 4.3068 9.0467 9.0601 9.3479 9.3499 9.8328 9.8632 10.7271 10.7460 11.2011 11.2093 k = 0.0000 0.5597 0.1729 ( 4932 PWs) bands (ev): -12.8935 -12.8934 -12.6533 -12.6533 -11.1643 -11.1643 -10.8646 -10.8638 -9.4345 -9.4310 -9.4031 -9.4018 -4.0853 -4.0835 -3.7423 -3.7354 -1.6810 -1.6775 -1.4347 -1.4342 -0.8156 -0.8135 -0.7507 -0.7397 0.7131 0.7310 0.7588 0.7884 1.2143 1.2187 1.6090 1.6138 2.2443 2.2498 2.3940 2.4028 2.9795 2.9849 3.2129 3.2169 3.4924 3.4952 3.8843 3.8886 4.0632 4.0658 4.2990 4.3006 9.0334 9.0479 9.3088 9.3111 9.8014 9.8335 10.7005 10.7195 11.2585 11.2660 k = 0.0000 0.5597 0.1902 ( 4932 PWs) bands (ev): -12.8868 -12.8867 -12.6534 -12.6534 -11.1471 -11.1470 -10.8533 -10.8524 -9.4691 -9.4652 -9.4402 -9.4388 -4.0579 -4.0561 -3.7043 -3.6969 -1.7304 -1.7266 -1.3911 -1.3904 -0.8165 -0.8004 -0.7704 -0.7616 0.7250 0.7429 0.7917 0.8216 1.2111 1.2161 1.6202 1.6252 2.2016 2.2073 2.3937 2.4033 2.9916 2.9971 3.2209 3.2248 3.4763 3.4794 3.8934 3.8973 4.0686 4.0710 4.2920 4.2938 9.0223 9.0378 9.2702 9.2727 9.7754 9.8089 10.6743 10.6932 11.3095 11.3165 k = 0.0000 0.5597 0.2075 ( 4926 PWs) bands (ev): -12.8796 -12.8795 -12.6535 -12.6535 -11.1281 -11.1280 -10.8409 -10.8399 -9.5059 -9.5017 -9.4798 -9.4781 -4.0284 -4.0265 -3.6639 -3.6559 -1.7834 -1.7793 -1.3532 -1.3505 -0.8615 -0.8491 -0.7243 -0.7169 0.7369 0.7547 0.8232 0.8534 1.2080 1.2135 1.6297 1.6348 2.1582 2.1638 2.3908 2.4013 3.0037 3.0091 3.2300 3.2339 3.4596 3.4630 3.8993 3.9027 4.0759 4.0781 4.2845 4.2865 9.0141 9.0307 9.2337 9.2363 9.7542 9.7889 10.6484 10.6672 11.3539 11.3605 k = 0.0000 0.5597 0.2248 ( 4932 PWs) bands (ev): -12.8720 -12.8719 -12.6539 -12.6539 -11.1076 -11.1074 -10.8274 -10.8263 -9.5448 -9.5401 -9.5214 -9.5194 -3.9968 -3.9949 -3.6211 -3.6126 -1.8393 -1.8352 -1.3277 -1.3220 -0.8933 -0.8847 -0.6721 -0.6648 0.7490 0.7667 0.8528 0.8833 1.2048 1.2110 1.6368 1.6421 2.1144 2.1200 2.3849 2.3962 3.0155 3.0209 3.2403 3.2440 3.4425 3.4462 3.9018 3.9046 4.0853 4.0871 4.2766 4.2788 9.0094 9.0271 9.2006 9.2032 9.7371 9.7729 10.6227 10.6411 11.3917 11.3981 k = 0.0000 0.5597 0.2421 ( 4924 PWs) bands (ev): -12.8640 -12.8639 -12.6544 -12.6544 -11.0853 -11.0852 -10.8127 -10.8115 -9.5854 -9.5804 -9.5647 -9.5624 -3.9632 -3.9613 -3.5764 -3.5674 -1.8975 -1.8934 -1.3235 -1.3139 -0.9010 -0.8967 -0.6154 -0.6080 0.7612 0.7788 0.8802 0.9110 1.2019 1.2087 1.6408 1.6464 2.0712 2.0765 2.3754 2.3876 3.0269 3.0323 3.2516 3.2550 3.4255 3.4296 3.9009 3.9029 4.0962 4.0976 4.2683 4.2707 9.0086 9.0274 9.1721 9.1746 9.7236 9.7605 10.5968 10.6149 11.4232 11.4296 k = 0.0000 0.5597 0.2593 ( 4924 PWs) bands (ev): -12.8557 -12.8556 -12.6552 -12.6552 -11.0615 -11.0614 -10.7968 -10.7955 -9.6278 -9.6224 -9.6093 -9.6068 -3.9277 -3.9258 -3.5299 -3.5205 -1.9576 -1.9535 -1.3445 -1.3315 -0.8804 -0.8799 -0.5547 -0.5470 0.7734 0.7909 0.9049 0.9360 1.1994 1.2069 1.6407 1.6467 2.0293 2.0343 2.3619 2.3750 3.0378 3.0431 3.2633 3.2663 3.4094 3.4137 3.8969 3.8982 4.1081 4.1093 4.2598 4.2624 9.0121 9.0320 9.1490 9.1514 9.7135 9.7512 10.5706 10.5883 11.4486 11.4552 k = 0.0000 0.5597 0.2766 ( 4922 PWs) bands (ev): -12.8470 -12.8469 -12.6562 -12.6562 -11.0361 -11.0359 -10.7797 -10.7784 -9.6718 -9.6663 -9.6546 -9.6520 -3.8904 -3.8885 -3.4821 -3.4722 -2.0189 -2.0149 -1.3863 -1.3712 -0.8379 -0.8359 -0.4903 -0.4823 0.7856 0.8028 0.9268 0.9581 1.1976 1.2056 1.6356 1.6420 1.9898 1.9943 2.3442 2.3581 3.0480 3.0533 3.2744 3.2768 3.3955 3.3998 3.8900 3.8907 4.1204 4.1214 4.2513 4.2540 9.0200 9.0412 9.1319 9.1342 9.7064 9.7449 10.5438 10.5610 11.4684 11.4753 k = 0.0000 0.5597 0.2939 ( 4920 PWs) bands (ev): -12.8381 -12.8380 -12.6575 -12.6575 -11.0091 -11.0089 -10.7615 -10.7601 -9.7173 -9.7122 -9.6999 -9.6978 -3.8513 -3.8494 -3.4330 -3.4228 -2.0808 -2.0771 -1.4415 -1.4255 -0.7786 -0.7752 -0.4227 -0.4143 0.7975 0.8145 0.9455 0.9767 1.1967 1.2053 1.6244 1.6314 1.9540 1.9577 2.3221 2.3368 3.0575 3.0627 3.2828 3.2842 3.3862 3.3902 3.8808 3.8810 4.1326 4.1334 4.2428 4.2457 9.0325 9.0551 9.1214 9.1237 9.7021 9.7412 10.5160 10.5327 11.4826 11.4900 k = 0.0000 0.5597 0.3112 ( 4918 PWs) bands (ev): -12.8290 -12.8289 -12.6591 -12.6591 -10.9805 -10.9803 -10.7421 -10.7407 -9.7642 -9.7599 -9.7451 -9.7437 -3.8105 -3.8087 -3.3833 -3.3728 -2.1429 -2.1394 -1.5045 -1.4881 -0.7082 -0.7041 -0.3525 -0.3437 0.8091 0.8257 0.9606 0.9916 1.1970 1.2059 1.6061 1.6138 1.9230 1.9258 2.2957 2.3111 3.0661 3.0713 3.2855 3.2856 3.3846 3.3876 3.8692 3.8696 4.1442 4.1450 4.2346 4.2377 9.0494 9.0737 9.1179 9.1201 9.7004 9.7401 10.4870 10.5030 11.4911 11.4993 k = 0.0000 0.5597 0.3285 ( 4916 PWs) bands (ev): -12.8198 -12.8197 -12.6610 -12.6610 -10.9504 -10.9502 -10.7217 -10.7201 -9.8124 -9.8088 -9.7901 -9.7895 -3.7681 -3.7663 -3.3332 -3.3224 -2.2044 -2.2012 -1.5720 -1.5554 -0.6308 -0.6262 -0.2801 -0.2708 0.8200 0.8361 0.9721 1.0023 1.1987 1.2077 1.5804 1.5887 1.8974 1.8993 2.2652 2.2811 3.0739 3.0791 3.2795 3.2813 3.3919 3.3937 3.8559 3.8566 4.1550 4.1558 4.2268 4.2300 9.0705 9.0968 9.1214 9.1237 9.7012 9.7414 10.4563 10.4716 11.4934 11.5021 k = 0.0000 0.5597 0.3458 ( 4920 PWs) bands (ev): -12.8105 -12.8104 -12.6633 -12.6633 -10.9189 -10.9186 -10.7001 -10.6984 -9.8613 -9.8584 -9.8350 -9.8349 -3.7241 -3.7225 -3.2833 -3.2724 -2.2647 -2.2618 -1.6418 -1.6254 -0.5486 -0.5437 -0.2062 -0.1964 0.8300 0.8455 0.9797 1.0086 1.2019 1.2106 1.5479 1.5566 1.8771 1.8782 2.2309 2.2472 3.0809 3.0860 3.2682 3.2713 3.4060 3.4070 3.8412 3.8422 4.1647 4.1655 4.2195 4.2229 9.0952 9.1236 9.1322 9.1345 9.7043 9.7448 10.4235 10.4381 11.4588 11.4856 k = 0.0000 0.5597 0.3631 ( 4918 PWs) bands (ev): -12.8012 -12.8010 -12.6660 -12.6659 -10.8859 -10.8856 -10.6775 -10.6758 -9.9107 -9.9083 -9.8801 -9.8795 -3.6787 -3.6772 -3.2344 -3.2234 -2.3228 -2.3204 -1.7130 -1.6967 -0.4633 -0.4582 -0.1315 -0.1210 0.8388 0.8535 0.9833 1.0106 1.2062 1.2144 1.5099 1.5187 1.8615 1.8618 2.1934 2.2100 3.0870 3.0922 3.2541 3.2582 3.4242 3.4248 3.8254 3.8267 4.1731 4.1741 4.2130 4.2164 9.1228 9.1475 9.1527 9.1566 9.7096 9.7503 10.3883 10.4021 11.3949 11.4274 k = 0.0000 0.5597 0.3804 ( 4920 PWs) bands (ev): -12.7918 -12.7917 -12.6690 -12.6689 -10.8517 -10.8513 -10.6541 -10.6523 -9.9601 -9.9581 -9.9248 -9.9238 -3.6320 -3.6305 -3.1876 -3.1766 -2.3774 -2.3757 -1.7848 -1.7687 -0.3761 -0.3709 -0.0567 -0.0457 0.8459 0.8594 0.9832 1.0084 1.2112 1.2189 1.4682 1.4769 1.8494 1.8496 2.1535 2.1702 3.0923 3.0976 3.2390 3.2437 3.4448 3.4451 3.8088 3.8102 4.1802 4.1813 4.2073 4.2108 9.1525 9.1711 9.1779 9.1906 9.7170 9.7577 10.3504 10.3634 11.3326 11.3661 k = 0.0000 0.5597 0.3977 ( 4916 PWs) bands (ev): -12.7825 -12.7824 -12.6725 -12.6724 -10.8162 -10.8158 -10.6300 -10.6281 -10.0091 -10.0074 -9.9687 -9.9675 -3.5840 -3.5827 -3.1443 -3.1337 -2.4269 -2.4260 -1.8565 -1.8407 -0.2880 -0.2826 0.0170 0.0287 0.8507 0.8629 0.9793 1.0022 1.2163 1.2234 1.4250 1.4331 1.8398 1.8406 2.1120 2.1286 3.0971 3.1024 3.2239 3.2289 3.4666 3.4668 3.7915 3.7930 4.1859 4.1871 4.2025 4.2061 9.1842 9.2000 9.2086 9.2272 9.7263 9.7667 10.3095 10.3216 11.2734 11.3078 k = 0.0000 0.5597 0.4150 ( 4914 PWs) bands (ev): -12.7734 -12.7732 -12.6763 -12.6763 -10.7796 -10.7792 -10.6055 -10.6036 -10.0571 -10.0556 -10.0118 -10.0104 -3.5349 -3.5337 -3.1070 -3.0970 -2.4689 -2.4687 -1.9279 -1.9123 -0.1999 -0.1943 0.0883 0.1008 0.8528 0.8631 0.9718 0.9924 1.2209 1.2275 1.3824 1.3897 1.8327 1.8340 2.0700 2.0862 3.1013 3.1068 3.2091 3.2145 3.4890 3.4893 3.7737 3.7752 4.1902 4.1916 4.1988 4.2024 9.2181 9.2335 9.2427 9.2653 9.7376 9.7772 10.2654 10.2767 11.2187 11.2542 k = 0.0000 0.5597 0.4322 ( 4916 PWs) bands (ev): -12.7643 -12.7642 -12.6807 -12.6806 -10.7422 -10.7417 -10.5811 -10.5792 -10.1035 -10.1022 -10.0538 -10.0522 -3.4849 -3.4838 -3.0785 -3.0696 -2.5014 -2.4996 -1.9985 -1.9833 -0.1128 -0.1070 0.1557 0.1688 0.8516 0.8596 0.9608 0.9791 1.2244 1.2308 1.3427 1.3486 1.8275 1.8294 2.0286 2.0443 3.1053 3.1108 3.1951 3.2008 3.5116 3.5119 3.7555 3.7571 4.1927 4.1945 4.1966 4.1999 9.2537 9.2703 9.2781 9.3035 9.7510 9.7894 10.2182 10.2289 11.1700 11.2067 k = 0.0000 0.5597 0.4495 ( 4920 PWs) bands (ev): -12.7555 -12.7554 -12.6854 -12.6853 -10.7042 -10.7037 -10.5577 -10.5557 -10.1474 -10.1462 -10.0943 -10.0926 -3.4342 -3.4331 -3.0625 -3.0550 -2.5198 -2.5160 -2.0680 -2.0531 -0.0278 -0.0217 0.2168 0.2305 0.8471 0.8525 0.9460 0.9624 1.2265 1.2327 1.3080 1.3120 1.8244 1.8270 1.9890 2.0039 3.1091 3.1148 3.1821 3.1879 3.5341 3.5345 3.7370 3.7385 4.1928 4.1954 4.1966 4.1992 9.2901 9.3089 9.3127 9.3404 9.7669 9.8033 10.1683 10.1786 11.1286 11.1666 k = 0.0000 0.5597 0.4668 ( 4920 PWs) bands (ev): -12.7469 -12.7468 -12.6906 -12.6905 -10.6661 -10.6654 -10.5366 -10.5347 -10.1870 -10.1859 -10.1328 -10.1310 -3.3830 -3.3819 -3.0616 -3.0558 -2.5213 -2.5153 -2.1361 -2.1216 0.0538 0.0602 0.2685 0.2824 0.8403 0.8429 0.9278 0.9427 1.2271 1.2334 1.2801 1.2816 1.8235 1.8269 1.9524 1.9662 3.1131 3.1189 3.1702 3.1761 3.5564 3.5568 3.7183 3.7197 4.1921 4.1952 4.1972 4.1995 9.3251 9.3449 9.3472 9.3744 9.7860 9.8196 10.1164 10.1265 11.0956 11.1352 k = 0.0000 0.5597 0.4841 ( 4924 PWs) bands (ev): -12.7386 -12.7385 -12.6962 -12.6961 -10.6284 -10.6276 -10.5204 -10.5185 -10.2200 -10.2189 -10.1686 -10.1669 -3.3317 -3.3307 -3.0761 -3.0719 -2.5056 -2.4976 -2.2023 -2.1882 0.1301 0.1371 0.3067 0.3204 0.8333 0.8337 0.9065 0.9204 1.2266 1.2328 1.2584 1.2597 1.8252 1.8295 1.9197 1.9323 3.1174 3.1232 3.1594 3.1654 3.5782 3.5787 3.6993 3.7007 4.1920 4.1951 4.1972 4.1996 9.3567 9.3724 9.3824 9.4034 9.8093 9.8391 10.0635 10.0740 11.0723 11.1133 k = 0.0000 0.5597 0.5014 ( 4930 PWs) bands (ev): -12.7306 -12.7305 -12.7023 -12.7022 -10.5922 -10.5914 -10.5124 -10.5107 -10.2427 -10.2416 -10.2007 -10.1990 -3.2809 -3.2798 -3.1036 -3.1006 -2.4751 -2.4653 -2.2660 -2.2525 0.1990 0.2067 0.3267 0.3395 0.8279 0.8315 0.8835 0.8964 1.2257 1.2318 1.2424 1.2462 1.8300 1.8355 1.8918 1.9030 3.1221 3.1281 3.1498 3.1559 3.5995 3.6002 3.6801 3.6813 4.1925 4.1955 4.1966 4.1991 9.3823 9.3933 9.4115 9.4255 9.8380 9.8634 10.0110 10.0226 11.0593 11.1018 k = 0.0000 0.5597 0.5187 ( 4932 PWs) bands (ev): -12.7230 -12.7228 -12.7088 -12.7087 -10.5595 -10.5584 -10.5163 -10.5148 -10.2515 -10.2502 -10.2273 -10.2257 -3.2313 -3.2300 -3.1406 -3.1385 -2.4331 -2.4220 -2.3266 -2.3137 0.2572 0.2659 0.3248 0.3363 0.8305 0.8372 0.8610 0.8726 1.2256 1.2317 1.2326 1.2380 1.8386 1.8453 1.8691 1.8787 3.1276 3.1336 3.1413 3.1474 3.6203 3.6211 3.6605 3.6616 4.1934 4.1957 4.1963 4.1983 9.3998 9.4056 9.4317 9.4386 9.8729 9.8937 9.9606 9.9742 11.0574 11.0868 k = 0.0000 0.5597 0.5360 ( 4936 PWs) bands (ev): -12.7157 -12.7157 -12.7156 -12.7156 -10.5329 -10.5329 -10.5316 -10.5316 -10.2455 -10.2455 -10.2440 -10.2440 -3.1840 -3.1840 -3.1824 -3.1824 -2.3828 -2.3828 -2.3707 -2.3707 0.3007 0.3007 0.3106 0.3106 0.8422 0.8422 0.8517 0.8517 1.2274 1.2274 1.2335 1.2335 1.8514 1.8514 1.8595 1.8595 3.1340 3.1340 3.1400 3.1400 3.6406 3.6406 3.6416 3.6416 4.1945 4.1945 4.1973 4.1973 9.4078 9.4078 9.4410 9.4410 9.9140 9.9140 9.9308 9.9308 11.0667 11.0667 k = 0.0000 0.5597 0.5360 ( 4936 PWs) bands (ev): -12.7157 -12.7157 -12.7156 -12.7156 -10.5329 -10.5329 -10.5316 -10.5316 -10.2455 -10.2455 -10.2440 -10.2440 -3.1840 -3.1840 -3.1824 -3.1824 -2.3828 -2.3828 -2.3707 -2.3707 0.3007 0.3007 0.3106 0.3106 0.8422 0.8422 0.8517 0.8517 1.2274 1.2274 1.2335 1.2335 1.8514 1.8514 1.8595 1.8595 3.1340 3.1340 3.1400 3.1400 3.6406 3.6406 3.6416 3.6416 4.1945 4.1945 4.1973 4.1973 9.4078 9.4078 9.4410 9.4410 9.9140 9.9140 9.9308 9.9308 11.0667 11.0667 k = 0.0172 0.5597 0.5360 ( 4930 PWs) bands (ev): -12.7154 -12.7154 -12.7153 -12.7153 -10.5348 -10.5348 -10.5334 -10.5334 -10.2440 -10.2440 -10.2425 -10.2425 -3.1829 -3.1829 -3.1811 -3.1811 -2.3839 -2.3839 -2.3718 -2.3718 0.3012 0.3012 0.3113 0.3113 0.8399 0.8399 0.8507 0.8507 1.2284 1.2284 1.2362 1.2362 1.8504 1.8504 1.8586 1.8586 3.1352 3.1352 3.1413 3.1413 3.6408 3.6408 3.6420 3.6420 4.1933 4.1933 4.1961 4.1961 9.4059 9.4059 9.4388 9.4388 9.9155 9.9155 9.9325 9.9325 11.0641 11.0641 k = 0.0345 0.5597 0.5360 ( 4928 PWs) bands (ev): -12.7147 -12.7147 -12.7145 -12.7145 -10.5403 -10.5403 -10.5387 -10.5387 -10.2399 -10.2399 -10.2382 -10.2382 -3.1796 -3.1796 -3.1773 -3.1773 -2.3872 -2.3872 -2.3751 -2.3751 0.3029 0.3029 0.3133 0.3133 0.8336 0.8336 0.8473 0.8473 1.2322 1.2322 1.2433 1.2433 1.8474 1.8474 1.8559 1.8559 3.1387 3.1387 3.1448 3.1448 3.6414 3.6414 3.6433 3.6433 4.1896 4.1896 4.1925 4.1925 9.4001 9.4001 9.4325 9.4325 9.9198 9.9198 9.9374 9.9374 11.0564 11.0564 k = 0.0517 0.5597 0.5360 ( 4932 PWs) bands (ev): -12.7134 -12.7134 -12.7132 -12.7132 -10.5491 -10.5491 -10.5472 -10.5472 -10.2333 -10.2333 -10.2313 -10.2313 -3.1741 -3.1741 -3.1711 -3.1711 -2.3926 -2.3926 -2.3805 -2.3805 0.3058 0.3058 0.3166 0.3166 0.8241 0.8241 0.8413 0.8413 1.2392 1.2392 1.2537 1.2537 1.8425 1.8425 1.8514 1.8514 3.1445 3.1445 3.1507 3.1507 3.6426 3.6426 3.6453 3.6453 4.1834 4.1834 4.1866 4.1866 9.3908 9.3908 9.4223 9.4223 9.9269 9.9269 9.9454 9.9454 11.0443 11.0443 k = 0.0690 0.5597 0.5360 ( 4924 PWs) bands (ev): -12.7117 -12.7117 -12.7114 -12.7114 -10.5608 -10.5608 -10.5585 -10.5585 -10.2245 -10.2245 -10.2224 -10.2224 -3.1665 -3.1665 -3.1628 -3.1628 -2.4000 -2.4000 -2.3878 -2.3878 0.3098 0.3098 0.3213 0.3213 0.8123 0.8123 0.8325 0.8325 1.2492 1.2492 1.2667 1.2667 1.8358 1.8358 1.8453 1.8453 3.1523 3.1523 3.1585 3.1585 3.6445 3.6445 3.6480 3.6480 4.1750 4.1750 4.1784 4.1784 9.3785 9.3785 9.4088 9.4088 9.9365 9.9365 9.9561 9.9561 11.0282 11.0282 k = 0.0862 0.5597 0.5360 ( 4918 PWs) bands (ev): -12.7095 -12.7095 -12.7091 -12.7091 -10.5747 -10.5747 -10.5722 -10.5722 -10.2141 -10.2141 -10.2119 -10.2119 -3.1571 -3.1571 -3.1525 -3.1525 -2.4092 -2.4092 -2.3969 -2.3969 0.3149 0.3149 0.3272 0.3272 0.7987 0.7987 0.8215 0.8215 1.2617 1.2617 1.2817 1.2817 1.8276 1.8276 1.8377 1.8377 3.1618 3.1618 3.1681 3.1681 3.6472 3.6472 3.6514 3.6514 4.1642 4.1642 4.1679 4.1679 9.3636 9.3636 9.3926 9.3926 9.9483 9.9483 9.9689 9.9689 11.0091 11.0091 k = 0.1035 0.5597 0.5360 ( 4914 PWs) bands (ev): -12.7069 -12.7069 -12.7064 -12.7064 -10.5905 -10.5905 -10.5878 -10.5878 -10.2025 -10.2025 -10.2001 -10.2001 -3.1460 -3.1460 -3.1406 -3.1406 -2.4199 -2.4199 -2.4075 -2.4075 0.3213 0.3213 0.3345 0.3345 0.7838 0.7838 0.8087 0.8087 1.2763 1.2763 1.2982 1.2982 1.8180 1.8180 1.8289 1.8289 3.1726 3.1726 3.1790 3.1790 3.6508 3.6508 3.6558 3.6558 4.1512 4.1512 4.1553 4.1553 9.3468 9.3468 9.3743 9.3743 9.9622 9.9622 9.9837 9.9837 10.9876 10.9876 k = 0.1207 0.5597 0.5360 ( 4910 PWs) bands (ev): -12.7038 -12.7038 -12.7033 -12.7033 -10.6077 -10.6077 -10.6048 -10.6048 -10.1898 -10.1898 -10.1874 -10.1874 -3.1337 -3.1337 -3.1275 -3.1275 -2.4317 -2.4317 -2.4192 -2.4192 0.3288 0.3288 0.3430 0.3430 0.7680 0.7680 0.7943 0.7943 1.2923 1.2923 1.3158 1.3158 1.8074 1.8074 1.8190 1.8190 3.1845 3.1845 3.1909 3.1909 3.6554 3.6554 3.6610 3.6610 4.1361 4.1361 4.1405 4.1405 9.3288 9.3288 9.3547 9.3547 9.9778 9.9778 10.0000 10.0000 10.9644 10.9644 k = 0.1380 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.7004 -12.7004 -12.6999 -12.6999 -10.6260 -10.6260 -10.6230 -10.6230 -10.1765 -10.1765 -10.1740 -10.1740 -3.1206 -3.1206 -3.1136 -3.1136 -2.4442 -2.4442 -2.4315 -2.4315 0.3375 0.3375 0.3527 0.3527 0.7515 0.7515 0.7789 0.7789 1.3094 1.3094 1.3339 1.3339 1.7959 1.7959 1.8083 1.8083 3.1968 3.1968 3.2032 3.2032 3.6611 3.6611 3.6674 3.6674 4.1190 4.1190 4.1239 4.1239 9.3099 9.3099 9.3344 9.3344 9.9948 9.9948 10.0176 10.0176 10.9400 10.9400 k = 0.1552 0.5597 0.5360 ( 4914 PWs) bands (ev): -12.6967 -12.6967 -12.6961 -12.6961 -10.6452 -10.6452 -10.6421 -10.6421 -10.1627 -10.1627 -10.1601 -10.1601 -3.1074 -3.1074 -3.0995 -3.0995 -2.4568 -2.4568 -2.4439 -2.4439 0.3474 0.3474 0.3637 0.3637 0.7347 0.7347 0.7626 0.7626 1.3271 1.3271 1.3523 1.3523 1.7839 1.7839 1.7970 1.7970 3.2093 3.2093 3.2156 3.2156 3.6681 3.6681 3.6749 3.6749 4.1001 4.1001 4.1054 4.1054 9.2908 9.2908 9.3138 9.3138 10.0130 10.0130 10.0362 10.0362 10.9150 10.9150 k = 0.1725 0.5597 0.5360 ( 4912 PWs) bands (ev): -12.6927 -12.6927 -12.6921 -12.6921 -10.6649 -10.6649 -10.6617 -10.6617 -10.1485 -10.1485 -10.1460 -10.1460 -3.0947 -3.0947 -3.0861 -3.0861 -2.4688 -2.4688 -2.4557 -2.4557 0.3584 0.3584 0.3760 0.3760 0.7176 0.7176 0.7457 0.7457 1.3449 1.3449 1.3706 1.3706 1.7715 1.7715 1.7854 1.7854 3.2213 3.2213 3.2276 3.2276 3.6765 3.6765 3.6838 3.6838 4.0797 4.0797 4.0853 4.0853 9.2720 9.2720 9.2935 9.2935 10.0322 10.0322 10.0556 10.0556 10.8898 10.8898 k = 0.1897 0.5597 0.5360 ( 4914 PWs) bands (ev): -12.6885 -12.6885 -12.6878 -12.6878 -10.6849 -10.6849 -10.6817 -10.6817 -10.1342 -10.1342 -10.1316 -10.1316 -3.0835 -3.0835 -3.0742 -3.0742 -2.4794 -2.4794 -2.4661 -2.4661 0.3707 0.3707 0.3895 0.3895 0.7004 0.7004 0.7284 0.7284 1.3627 1.3627 1.3885 1.3885 1.7591 1.7591 1.7736 1.7736 3.2325 3.2325 3.2386 3.2386 3.6864 3.6864 3.6942 3.6942 4.0578 4.0578 4.0639 4.0639 9.2537 9.2537 9.2739 9.2739 10.0522 10.0522 10.0755 10.0755 10.8649 10.8649 k = 0.2070 0.5597 0.5360 ( 4906 PWs) bands (ev): -12.6841 -12.6841 -12.6834 -12.6834 -10.7051 -10.7051 -10.7018 -10.7018 -10.1197 -10.1197 -10.1171 -10.1171 -3.0747 -3.0747 -3.0648 -3.0648 -2.4875 -2.4875 -2.4740 -2.4740 0.3842 0.3842 0.4042 0.4042 0.6833 0.6833 0.7109 0.7109 1.3801 1.3801 1.4058 1.4058 1.7468 1.7468 1.7618 1.7618 3.2424 3.2424 3.2484 3.2484 3.6980 3.6980 3.7062 3.7062 4.0348 4.0348 4.0412 4.0412 9.2364 9.2364 9.2554 9.2554 10.0726 10.0726 10.0957 10.0957 10.8407 10.8407 k = 0.2242 0.5597 0.5360 ( 4904 PWs) bands (ev): -12.6797 -12.6797 -12.6790 -12.6790 -10.7251 -10.7251 -10.7219 -10.7219 -10.1052 -10.1052 -10.1026 -10.1026 -3.0694 -3.0694 -3.0590 -3.0590 -2.4921 -2.4921 -2.4785 -2.4785 0.3989 0.3989 0.4202 0.4202 0.6663 0.6663 0.6932 0.6932 1.3967 1.3967 1.4221 1.4221 1.7349 1.7349 1.7503 1.7503 3.2507 3.2507 3.2565 3.2565 3.7113 3.7113 3.7198 3.7198 4.0108 4.0108 4.0177 4.0177 9.2202 9.2202 9.2382 9.2382 10.0932 10.0932 10.1159 10.1159 10.8176 10.8176 k = 0.2415 0.5597 0.5360 ( 4906 PWs) bands (ev): -12.6753 -12.6753 -12.6745 -12.6745 -10.7450 -10.7450 -10.7417 -10.7417 -10.0906 -10.0906 -10.0881 -10.0881 -3.0685 -3.0685 -3.0579 -3.0579 -2.4924 -2.4924 -2.4788 -2.4788 0.4147 0.4147 0.4374 0.4374 0.6494 0.6494 0.6753 0.6753 1.4123 1.4123 1.4371 1.4371 1.7238 1.7238 1.7392 1.7392 3.2571 3.2571 3.2627 3.2627 3.7263 3.7263 3.7350 3.7350 3.9862 3.9862 3.9934 3.9934 9.2054 9.2054 9.2225 9.2225 10.1136 10.1136 10.1356 10.1356 10.7962 10.7962 k = 0.2587 0.5597 0.5360 ( 4914 PWs) bands (ev): -12.6709 -12.6709 -12.6702 -12.6702 -10.7644 -10.7644 -10.7611 -10.7611 -10.0760 -10.0760 -10.0735 -10.0735 -3.0727 -3.0727 -3.0622 -3.0622 -2.4875 -2.4875 -2.4739 -2.4739 0.4316 0.4316 0.4558 0.4558 0.6327 0.6327 0.6575 0.6575 1.4266 1.4266 1.4505 1.4505 1.7136 1.7136 1.7287 1.7287 3.2614 3.2614 3.2670 3.2670 3.7430 3.7430 3.7518 3.7518 3.9613 3.9613 3.9688 3.9688 9.1921 9.1921 9.2085 9.2085 10.1334 10.1334 10.1544 10.1544 10.7771 10.7771 k = 0.2760 0.5597 0.5360 ( 4912 PWs) bands (ev): -12.6667 -12.6667 -12.6659 -12.6659 -10.7832 -10.7832 -10.7800 -10.7800 -10.0615 -10.0615 -10.0591 -10.0591 -3.0827 -3.0827 -3.0724 -3.0724 -2.4771 -2.4771 -2.4637 -2.4637 0.4495 0.4495 0.4753 0.4753 0.6165 0.6165 0.6396 0.6396 1.4392 1.4392 1.4619 1.4619 1.7048 1.7048 1.7192 1.7192 3.2637 3.2637 3.2691 3.2691 3.7611 3.7611 3.7700 3.7700 3.9364 3.9364 3.9442 3.9442 9.1803 9.1803 9.1962 9.1962 10.1521 10.1521 10.1718 10.1718 10.7610 10.7610 k = 0.2932 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.6627 -12.6627 -12.6619 -12.6619 -10.8013 -10.8013 -10.7982 -10.7982 -10.0471 -10.0471 -10.0446 -10.0446 -3.0984 -3.0984 -3.0884 -3.0884 -2.4612 -2.4612 -2.4480 -2.4480 0.4681 0.4681 0.4961 0.4961 0.6008 0.6008 0.6219 0.6219 1.4495 1.4495 1.4706 1.4706 1.6979 1.6979 1.7111 1.7111 3.2639 3.2639 3.2693 3.2693 3.7805 3.7805 3.7895 3.7895 3.9117 3.9117 3.9197 3.9197 9.1701 9.1701 9.1856 9.1856 10.1690 10.1690 10.1872 10.1872 10.7484 10.7484 k = 0.3104 0.5597 0.5360 ( 4918 PWs) bands (ev): -12.6590 -12.6590 -12.6583 -12.6583 -10.8186 -10.8186 -10.8154 -10.8154 -10.0327 -10.0327 -10.0303 -10.0303 -3.1195 -3.1195 -3.1100 -3.1100 -2.4404 -2.4404 -2.4272 -2.4272 0.4868 0.4868 0.5177 0.5177 0.5864 0.5864 0.6044 0.6044 1.4568 1.4568 1.4761 1.4761 1.6933 1.6933 1.7049 1.7049 3.2623 3.2623 3.2677 3.2677 3.8005 3.8005 3.8097 3.8097 3.8880 3.8880 3.8960 3.8960 9.1614 9.1614 9.1766 9.1766 10.1833 10.1833 10.2000 10.2000 10.7403 10.7403 k = 0.3277 0.5597 0.5360 ( 4914 PWs) bands (ev): -12.6557 -12.6557 -12.6550 -12.6550 -10.8348 -10.8348 -10.8317 -10.8317 -10.0184 -10.0184 -10.0160 -10.0160 -3.1456 -3.1456 -3.1365 -3.1365 -2.4150 -2.4150 -2.4019 -2.4019 0.5036 0.5036 0.5398 0.5398 0.5750 0.5750 0.5880 0.5880 1.4604 1.4604 1.4780 1.4780 1.6914 1.6914 1.7014 1.7014 3.2591 3.2591 3.2644 3.2644 3.8194 3.8194 3.8290 3.8290 3.8670 3.8670 3.8743 3.8743 9.1542 9.1542 9.1693 9.1693 10.1942 10.1942 10.2095 10.2095 10.7373 10.7373 k = 0.3449 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.6529 -12.6529 -12.6522 -12.6522 -10.8499 -10.8499 -10.8469 -10.8469 -10.0041 -10.0041 -10.0018 -10.0018 -3.1760 -3.1760 -3.1673 -3.1673 -2.3860 -2.3860 -2.3728 -2.3728 0.5133 0.5133 0.5558 0.5558 0.5711 0.5711 0.5795 0.5795 1.4593 1.4593 1.4757 1.4757 1.6924 1.6924 1.7016 1.7016 3.2545 3.2545 3.2598 3.2598 3.8265 3.8265 3.8351 3.8351 3.8617 3.8617 3.8646 3.8646 9.1483 9.1483 9.1633 9.1633 10.2010 10.2010 10.2154 10.2154 10.7392 10.7392 k = 0.3449 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.6529 -12.6529 -12.6522 -12.6522 -10.8499 -10.8499 -10.8469 -10.8469 -10.0041 -10.0041 -10.0018 -10.0018 -3.1760 -3.1760 -3.1673 -3.1673 -2.3860 -2.3860 -2.3728 -2.3728 0.5133 0.5133 0.5558 0.5558 0.5711 0.5711 0.5795 0.5795 1.4593 1.4593 1.4757 1.4757 1.6924 1.6924 1.7016 1.7016 3.2545 3.2545 3.2598 3.2598 3.8265 3.8265 3.8351 3.8351 3.8617 3.8617 3.8646 3.8646 9.1483 9.1483 9.1633 9.1633 10.2010 10.2010 10.2154 10.2154 10.7392 10.7392 k = 0.3359 0.5450 0.5360 ( 4912 PWs) bands (ev): -12.6579 -12.6579 -12.6572 -12.6572 -10.8215 -10.8215 -10.8184 -10.8184 -10.0314 -10.0314 -10.0291 -10.0291 -3.1133 -3.1133 -3.1038 -3.1038 -2.4457 -2.4457 -2.4328 -2.4328 0.5064 0.5064 0.5495 0.5495 0.5635 0.5635 0.5725 0.5725 1.4651 1.4651 1.4829 1.4829 1.6889 1.6889 1.6982 1.6982 3.2638 3.2638 3.2691 3.2691 3.8374 3.8374 3.8474 3.8474 3.8518 3.8518 3.8537 3.8537 9.1574 9.1574 9.1724 9.1724 10.1927 10.1927 10.2082 10.2082 10.7351 10.7351 k = 0.3268 0.5303 0.5360 ( 4916 PWs) bands (ev): -12.6632 -12.6632 -12.6624 -12.6624 -10.7918 -10.7918 -10.7886 -10.7886 -10.0590 -10.0590 -10.0566 -10.0566 -3.0491 -3.0491 -3.0388 -3.0388 -2.5076 -2.5076 -2.4949 -2.4949 0.4994 0.4994 0.5428 0.5428 0.5561 0.5561 0.5657 0.5657 1.4686 1.4686 1.4878 1.4878 1.6876 1.6876 1.6970 1.6970 3.2721 3.2721 3.2774 3.2774 3.8302 3.8302 3.8360 3.8360 3.8618 3.8618 3.8681 3.8681 9.1645 9.1645 9.1793 9.1793 10.1847 10.1847 10.2012 10.2012 10.7359 10.7359 k = 0.3177 0.5156 0.5360 ( 4916 PWs) bands (ev): -12.6687 -12.6687 -12.6679 -12.6679 -10.7609 -10.7609 -10.7575 -10.7575 -10.0868 -10.0868 -10.0844 -10.0844 -2.9837 -2.9837 -2.9726 -2.9726 -2.5714 -2.5714 -2.5590 -2.5590 0.4921 0.4921 0.5356 0.5356 0.5487 0.5487 0.5592 0.5592 1.4701 1.4701 1.4905 1.4905 1.6886 1.6886 1.6983 1.6983 3.2793 3.2793 3.2845 3.2845 3.8191 3.8191 3.8243 3.8243 3.8773 3.8773 3.8845 3.8845 9.1695 9.1695 9.1840 9.1840 10.1765 10.1765 10.1939 10.1939 10.7418 10.7418 k = 0.3086 0.5008 0.5360 ( 4918 PWs) bands (ev): -12.6745 -12.6745 -12.6737 -12.6737 -10.7286 -10.7286 -10.7251 -10.7251 -10.1146 -10.1146 -10.1121 -10.1121 -2.9174 -2.9174 -2.9054 -2.9054 -2.6369 -2.6369 -2.6250 -2.6250 0.4842 0.4842 0.5277 0.5277 0.5416 0.5416 0.5528 0.5528 1.4696 1.4696 1.4910 1.4910 1.6922 1.6922 1.7022 1.7022 3.2852 3.2852 3.2903 3.2903 3.8092 3.8092 3.8141 3.8141 3.8935 3.8935 3.9011 3.9011 9.1725 9.1725 9.1866 9.1866 10.1675 10.1675 10.1859 10.1859 10.7529 10.7529 k = 0.2996 0.4861 0.5360 ( 4930 PWs) bands (ev): -12.6806 -12.6806 -12.6797 -12.6797 -10.6953 -10.6953 -10.6916 -10.6916 -10.1422 -10.1422 -10.1398 -10.1398 -2.8506 -2.8506 -2.8374 -2.8374 -2.7039 -2.7039 -2.6925 -2.6925 0.4756 0.4756 0.5189 0.5189 0.5347 0.5347 0.5466 0.5466 1.4673 1.4673 1.4896 1.4896 1.6985 1.6985 1.7088 1.7088 3.2899 3.2899 3.2948 3.2948 3.8010 3.8010 3.8058 3.8058 3.9099 3.9099 3.9178 3.9178 9.1734 9.1734 9.1871 9.1871 10.1574 10.1574 10.1767 10.1767 10.7691 10.7691 k = 0.2905 0.4714 0.5360 ( 4922 PWs) bands (ev): -12.6868 -12.6868 -12.6859 -12.6859 -10.6607 -10.6607 -10.6570 -10.6570 -10.1697 -10.1697 -10.1673 -10.1673 -2.7879 -2.7879 -2.7703 -2.7703 -2.7676 -2.7676 -2.7603 -2.7603 0.4659 0.4659 0.5092 0.5092 0.5281 0.5281 0.5405 0.5405 1.4634 1.4634 1.4865 1.4865 1.7075 1.7075 1.7182 1.7182 3.2932 3.2932 3.2980 3.2980 3.7947 3.7947 3.7994 3.7994 3.9263 3.9263 3.9344 3.9344 9.1726 9.1726 9.1857 9.1857 10.1457 10.1457 10.1658 10.1658 10.7902 10.7902 k = 0.2814 0.4566 0.5360 ( 4920 PWs) bands (ev): -12.6933 -12.6933 -12.6924 -12.6924 -10.6252 -10.6252 -10.6214 -10.6214 -10.1969 -10.1969 -10.1945 -10.1945 -2.8434 -2.8434 -2.8320 -2.8320 -2.7141 -2.7141 -2.7002 -2.7002 0.4552 0.4552 0.4986 0.4986 0.5216 0.5216 0.5343 0.5343 1.4582 1.4582 1.4819 1.4819 1.7192 1.7192 1.7304 1.7304 3.2953 3.2953 3.2999 3.2999 3.7904 3.7904 3.7949 3.7949 3.9425 3.9425 3.9508 3.9508 9.1702 9.1702 9.1827 9.1827 10.1320 10.1320 10.1529 10.1529 10.8159 10.8159 k = 0.2723 0.4419 0.5360 ( 4928 PWs) bands (ev): -12.7000 -12.7000 -12.6990 -12.6990 -10.5887 -10.5887 -10.5847 -10.5847 -10.2237 -10.2237 -10.2213 -10.2213 -2.9139 -2.9139 -2.9032 -2.9032 -2.6467 -2.6467 -2.6315 -2.6315 0.4436 0.4436 0.4870 0.4870 0.5150 0.5150 0.5278 0.5278 1.4520 1.4520 1.4762 1.4762 1.7338 1.7338 1.7453 1.7453 3.2960 3.2960 3.3004 3.3004 3.7880 3.7880 3.7923 3.7923 3.9585 3.9585 3.9671 3.9671 9.1665 9.1665 9.1784 9.1784 10.1160 10.1160 10.1375 10.1375 10.8459 10.8459 k = 0.2632 0.4272 0.5360 ( 4924 PWs) bands (ev): -12.7068 -12.7068 -12.7059 -12.7059 -10.5513 -10.5513 -10.5473 -10.5473 -10.2500 -10.2500 -10.2477 -10.2477 -2.9854 -2.9854 -2.9754 -2.9754 -2.5792 -2.5792 -2.5631 -2.5631 0.4310 0.4310 0.4747 0.4747 0.5082 0.5082 0.5208 0.5208 1.4450 1.4450 1.4696 1.4696 1.7511 1.7511 1.7630 1.7630 3.2954 3.2954 3.2997 3.2997 3.7876 3.7876 3.7916 3.7916 3.9742 3.9742 3.9830 3.9830 9.1617 9.1617 9.1730 9.1730 10.0974 10.0974 10.1196 10.1196 10.8797 10.8797 k = 0.2542 0.4124 0.5360 ( 4928 PWs) bands (ev): -12.7138 -12.7138 -12.7129 -12.7129 -10.5131 -10.5131 -10.5090 -10.5090 -10.2758 -10.2758 -10.2735 -10.2735 -3.0576 -3.0576 -3.0482 -3.0482 -2.5122 -2.5122 -2.4952 -2.4952 0.4176 0.4176 0.4618 0.4618 0.5009 0.5009 0.5131 0.5131 1.4377 1.4377 1.4626 1.4626 1.7710 1.7710 1.7833 1.7833 3.2937 3.2937 3.2978 3.2978 3.7890 3.7890 3.7928 3.7928 3.9895 3.9895 3.9985 3.9985 9.1561 9.1561 9.1667 9.1667 10.0762 10.0762 10.0989 10.0989 10.9167 10.9167 k = 0.2451 0.3977 0.5360 ( 4920 PWs) bands (ev): -12.7210 -12.7210 -12.7200 -12.7200 -10.4742 -10.4742 -10.4700 -10.4700 -10.3009 -10.3009 -10.2987 -10.2987 -3.1303 -3.1303 -3.1214 -3.1214 -2.4459 -2.4459 -2.4279 -2.4279 0.4036 0.4036 0.4483 0.4483 0.4929 0.4929 0.5044 0.5044 1.4303 1.4303 1.4554 1.4554 1.7934 1.7934 1.8060 1.8060 3.2909 3.2909 3.2948 3.2948 3.7922 3.7922 3.7958 3.7958 4.0043 4.0043 4.0135 4.0135 9.1499 9.1499 9.1599 9.1599 10.0522 10.0522 10.0753 10.0753 10.9565 10.9565 k = 0.2360 0.3830 0.5360 ( 4920 PWs) bands (ev): -12.7282 -12.7282 -12.7272 -12.7272 -10.4347 -10.4347 -10.4304 -10.4304 -10.3253 -10.3253 -10.3232 -10.3232 -3.2033 -3.2033 -3.1950 -3.1950 -2.3804 -2.3804 -2.3615 -2.3615 0.3892 0.3892 0.4344 0.4344 0.4839 0.4839 0.4946 0.4946 1.4231 1.4231 1.4484 1.4484 1.8180 1.8180 1.8310 1.8310 3.2871 3.2871 3.2908 3.2908 3.7971 3.7971 3.8004 3.8004 4.0187 4.0187 4.0281 4.0281 9.1433 9.1433 9.1528 9.1528 10.0256 10.0256 10.0490 10.0490 10.9982 10.9982 k = 0.2269 0.3683 0.5360 ( 4928 PWs) bands (ev): -12.7356 -12.7356 -12.7346 -12.7346 -10.3948 -10.3948 -10.3904 -10.3904 -10.3488 -10.3488 -10.3469 -10.3469 -3.2763 -3.2763 -3.2685 -3.2685 -2.3160 -2.3160 -2.2962 -2.2962 0.3744 0.3744 0.4203 0.4203 0.4739 0.4739 0.4837 0.4837 1.4166 1.4166 1.4419 1.4419 1.8445 1.8445 1.8578 1.8578 3.2824 3.2824 3.2860 3.2860 3.8034 3.8034 3.8064 3.8064 4.0324 4.0324 4.0420 4.0420 9.1365 9.1365 9.1454 9.1454 9.9964 9.9964 10.0200 10.0200 11.0414 11.0414 k = 0.2179 0.3535 0.5360 ( 4920 PWs) bands (ev): -12.7430 -12.7430 -12.7420 -12.7420 -10.3731 -10.3731 -10.3704 -10.3704 -10.3530 -10.3530 -10.3494 -10.3494 -3.3491 -3.3491 -3.3420 -3.3420 -2.2527 -2.2527 -2.2322 -2.2322 0.3596 0.3596 0.4060 0.4060 0.4627 0.4627 0.4715 0.4715 1.4109 1.4109 1.4362 1.4362 1.8728 1.8728 1.8863 1.8863 3.2772 3.2772 3.2806 3.2806 3.8112 3.8112 3.8139 3.8139 4.0456 4.0456 4.0554 4.0554 9.1296 9.1296 9.1379 9.1379 9.9650 9.9650 9.9887 9.9887 11.0852 11.0852 k = 0.2088 0.3388 0.5360 ( 4904 PWs) bands (ev): -12.7504 -12.7504 -12.7494 -12.7494 -10.3945 -10.3945 -10.3924 -10.3924 -10.3130 -10.3130 -10.3089 -10.3089 -3.4217 -3.4217 -3.4150 -3.4150 -2.1909 -2.1909 -2.1696 -2.1696 0.3447 0.3447 0.3917 0.3917 0.4503 0.4503 0.4580 0.4580 1.4063 1.4063 1.4313 1.4313 1.9023 1.9023 1.9160 1.9160 3.2716 3.2716 3.2748 3.2748 3.8202 3.8202 3.8226 3.8226 4.0581 4.0581 4.0680 4.0680 9.1225 9.1225 9.1303 9.1303 9.9315 9.9315 9.9552 9.9552 11.1289 11.1289 k = 0.1997 0.3241 0.5360 ( 4912 PWs) bands (ev): -12.7579 -12.7579 -12.7569 -12.7569 -10.4157 -10.4157 -10.4137 -10.4137 -10.2722 -10.2722 -10.2680 -10.2680 -3.4936 -3.4936 -3.4875 -3.4875 -2.1307 -2.1307 -2.1087 -2.1087 0.3300 0.3300 0.3775 0.3775 0.4367 0.4367 0.4433 0.4433 1.4028 1.4028 1.4276 1.4276 1.9328 1.9328 1.9466 1.9466 3.2659 3.2659 3.2690 3.2690 3.8303 3.8303 3.8324 3.8324 4.0700 4.0700 4.0800 4.0800 9.1153 9.1153 9.1226 9.1226 9.8962 9.8962 9.9198 9.9198 11.1717 11.1717 k = 0.1906 0.3093 0.5360 ( 4904 PWs) bands (ev): -12.7653 -12.7653 -12.7643 -12.7643 -10.4360 -10.4360 -10.4341 -10.4341 -10.2313 -10.2313 -10.2272 -10.2272 -3.5648 -3.5648 -3.5592 -3.5592 -2.0721 -2.0721 -2.0495 -2.0495 0.3155 0.3155 0.3635 0.3635 0.4220 0.4220 0.4274 0.4274 1.4006 1.4006 1.4250 1.4250 1.9638 1.9638 1.9776 1.9776 3.2603 3.2603 3.2633 3.2633 3.8413 3.8413 3.8430 3.8430 4.0811 4.0811 4.0913 4.0913 9.1079 9.1079 9.1148 9.1148 9.8596 9.8596 9.8829 9.8829 11.2127 11.2127 k = 0.1815 0.2946 0.5360 ( 4900 PWs) bands (ev): -12.7726 -12.7726 -12.7717 -12.7717 -10.4555 -10.4555 -10.4536 -10.4536 -10.1905 -10.1905 -10.1864 -10.1864 -3.6350 -3.6350 -3.6299 -3.6299 -2.0154 -2.0154 -1.9923 -1.9923 0.3014 0.3014 0.3498 0.3498 0.4063 0.4063 0.4105 0.4105 1.3998 1.3998 1.4236 1.4236 1.9948 1.9948 2.0086 2.0086 3.2552 3.2552 3.2582 3.2582 3.8529 3.8529 3.8544 3.8544 4.0916 4.0916 4.1019 4.1019 9.1002 9.1002 9.1067 9.1067 9.8219 9.8219 9.8449 9.8449 11.2510 11.2510 k = 0.1725 0.2799 0.5360 ( 4894 PWs) bands (ev): -12.7799 -12.7799 -12.7789 -12.7789 -10.4740 -10.4740 -10.4722 -10.4722 -10.1500 -10.1500 -10.1459 -10.1459 -3.7040 -3.7040 -3.6994 -3.6994 -1.9607 -1.9607 -1.9372 -1.9372 0.2877 0.2877 0.3364 0.3364 0.3898 0.3898 0.3928 0.3928 1.4003 1.4003 1.4235 1.4235 2.0254 2.0254 2.0390 2.0390 3.2510 3.2510 3.2540 3.2540 3.8652 3.8652 3.8664 3.8664 4.1013 4.1013 4.1117 4.1117 9.0920 9.0920 9.0982 9.0982 9.7835 9.7835 9.8061 9.8061 11.2858 11.2858 k = 0.1634 0.2651 0.5360 ( 4910 PWs) bands (ev): -12.7870 -12.7870 -12.7861 -12.7861 -10.4915 -10.4915 -10.4899 -10.4899 -10.1099 -10.1099 -10.1059 -10.1059 -3.7715 -3.7715 -3.7674 -3.7674 -1.9081 -1.9081 -1.8843 -1.8843 0.2746 0.2746 0.3235 0.3235 0.3727 0.3727 0.3745 0.3745 1.4019 1.4019 1.4244 1.4244 2.0551 2.0551 2.0684 2.0684 3.2479 3.2479 3.2510 3.2510 3.8779 3.8779 3.8788 3.8788 4.1104 4.1104 4.1207 4.1207 9.0833 9.0833 9.0891 9.0891 9.7448 9.7448 9.7668 9.7668 11.3165 11.3165 k = 0.1543 0.2504 0.5360 ( 4902 PWs) bands (ev): -12.7940 -12.7940 -12.7931 -12.7931 -10.5082 -10.5082 -10.5066 -10.5066 -10.0704 -10.0704 -10.0665 -10.0665 -3.8374 -3.8374 -3.8336 -3.8336 -1.8577 -1.8577 -1.8337 -1.8337 0.2620 0.2620 0.3109 0.3109 0.3552 0.3552 0.3558 0.3558 1.4048 1.4048 1.4264 1.4264 2.0834 2.0834 2.0962 2.0962 3.2463 3.2463 3.2495 3.2495 3.8908 3.8908 3.8915 3.8915 4.1187 4.1187 4.1290 4.1290 9.0739 9.0739 9.0794 9.0794 9.7061 9.7061 9.7275 9.7275 11.3427 11.3427 k = 0.1452 0.2357 0.5360 ( 4902 PWs) bands (ev): -12.8008 -12.8008 -12.7999 -12.7999 -10.5238 -10.5238 -10.5223 -10.5223 -10.0317 -10.0317 -10.0279 -10.0279 -3.9013 -3.9013 -3.8980 -3.8980 -1.8096 -1.8096 -1.7856 -1.7856 0.2500 0.2500 0.2986 0.2986 0.3372 0.3372 0.3377 0.3377 1.4086 1.4086 1.4294 1.4294 2.1098 2.1098 2.1221 2.1221 3.2465 3.2465 3.2500 3.2500 3.9039 3.9039 3.9043 3.9043 4.1263 4.1263 4.1366 4.1366 9.0637 9.0637 9.0689 9.0689 9.6678 9.6678 9.6884 9.6884 11.3645 11.3645 k = 0.1362 0.2210 0.5360 ( 4898 PWs) bands (ev): -12.8074 -12.8074 -12.8065 -12.8065 -10.5385 -10.5385 -10.5371 -10.5371 -9.9940 -9.9940 -9.9903 -9.9903 -3.9630 -3.9630 -3.9601 -3.9601 -1.7639 -1.7639 -1.7401 -1.7401 0.2386 0.2386 0.2865 0.2865 0.3192 0.3192 0.3204 0.3204 1.4133 1.4133 1.4331 1.4331 2.1339 2.1339 2.1455 2.1455 3.2488 3.2488 3.2525 3.2525 3.9169 3.9169 3.9172 3.9172 4.1332 4.1332 4.1434 4.1434 9.0526 9.0526 9.0576 9.0576 9.6301 9.6301 9.6499 9.6499 11.3824 11.3824 k = 0.1271 0.2062 0.5360 ( 4910 PWs) bands (ev): -12.8137 -12.8137 -12.8129 -12.8129 -10.5522 -10.5522 -10.5509 -10.5509 -9.9574 -9.9574 -9.9538 -9.9538 -4.0224 -4.0224 -4.0198 -4.0198 -1.7207 -1.7207 -1.6972 -1.6972 0.2276 0.2276 0.2740 0.2740 0.3023 0.3023 0.3037 0.3037 1.4187 1.4187 1.4374 1.4374 2.1554 2.1554 2.1663 2.1663 3.2533 3.2533 3.2573 3.2573 3.9298 3.9298 3.9299 3.9299 4.1394 4.1394 4.1495 4.1495 9.0406 9.0406 9.0454 9.0454 9.5934 9.5934 9.6123 9.6123 11.3970 11.3970 k = 0.1180 0.1915 0.5360 ( 4908 PWs) bands (ev): -12.8197 -12.8197 -12.8190 -12.8190 -10.5649 -10.5649 -10.5637 -10.5637 -9.9221 -9.9221 -9.9187 -9.9187 -4.0791 -4.0791 -4.0768 -4.0768 -1.6800 -1.6800 -1.6571 -1.6571 0.2171 0.2171 0.2606 0.2606 0.2875 0.2875 0.2879 0.2879 1.4246 1.4246 1.4422 1.4422 2.1741 2.1741 2.1841 2.1841 3.2601 3.2601 3.2644 3.2644 3.9423 3.9423 3.9423 3.9423 4.1449 4.1449 4.1548 4.1548 9.0277 9.0277 9.0323 9.0323 9.5579 9.5579 9.5759 9.5759 11.4093 11.4093 k = 0.1089 0.1768 0.5360 ( 4904 PWs) bands (ev): -12.8254 -12.8254 -12.8247 -12.8247 -10.5767 -10.5767 -10.5756 -10.5756 -9.8883 -9.8883 -9.8851 -9.8851 -4.1329 -4.1329 -4.1309 -4.1309 -1.6420 -1.6420 -1.6198 -1.6198 0.2069 0.2069 0.2460 0.2460 0.2733 0.2733 0.2752 0.2752 1.4309 1.4309 1.4473 1.4473 2.1899 2.1899 2.1990 2.1990 3.2691 3.2691 3.2738 3.2738 3.9543 3.9543 3.9545 3.9545 4.1498 4.1498 4.1594 4.1594 9.0141 9.0141 9.0185 9.0185 9.5241 9.5241 9.5409 9.5409 11.4202 11.4202 k = 0.0999 0.1620 0.5360 ( 4906 PWs) bands (ev): -12.8308 -12.8308 -12.8302 -12.8302 -10.5874 -10.5874 -10.5864 -10.5864 -9.8563 -9.8563 -9.8533 -9.8533 -4.1835 -4.1835 -4.1818 -4.1818 -1.6067 -1.6067 -1.5854 -1.5854 0.1968 0.1968 0.2306 0.2306 0.2603 0.2603 0.2652 0.2652 1.4374 1.4374 1.4526 1.4526 2.2027 2.2027 2.2109 2.2109 3.2801 3.2801 3.2850 3.2850 3.9658 3.9658 3.9661 3.9661 4.1541 4.1541 4.1634 4.1634 8.9999 8.9999 9.0041 9.0041 9.4920 9.4920 9.5077 9.5077 11.4305 11.4305 k = 0.0908 0.1473 0.5360 ( 4914 PWs) bands (ev): -12.8358 -12.8358 -12.8352 -12.8352 -10.5973 -10.5973 -10.5963 -10.5963 -9.8263 -9.8263 -9.8234 -9.8234 -4.2307 -4.2307 -4.2293 -4.2293 -1.5742 -1.5742 -1.5540 -1.5540 0.1867 0.1867 0.2152 0.2152 0.2491 0.2491 0.2569 0.2569 1.4440 1.4440 1.4579 1.4579 2.2128 2.2128 2.2200 2.2200 3.2928 3.2928 3.2979 3.2979 3.9767 3.9767 3.9771 3.9771 4.1578 4.1578 4.1666 4.1666 8.9853 8.9853 8.9892 8.9892 9.4619 9.4619 9.4765 9.4765 11.4407 11.4407 k = 0.0817 0.1326 0.5360 ( 4902 PWs) bands (ev): -12.8404 -12.8404 -12.8399 -12.8399 -10.6061 -10.6061 -10.6053 -10.6053 -9.7983 -9.7983 -9.7957 -9.7957 -4.2743 -4.2743 -4.2731 -4.2731 -1.5445 -1.5445 -1.5256 -1.5256 0.1768 0.1768 0.2003 0.2003 0.2399 0.2399 0.2498 0.2498 1.4504 1.4504 1.4630 1.4630 2.2203 2.2203 2.2266 2.2266 3.3068 3.3068 3.3120 3.3120 3.9870 3.9870 3.9874 3.9874 4.1609 4.1609 4.1693 4.1693 8.9706 8.9706 8.9743 8.9743 9.4342 9.4342 9.4474 9.4474 11.4511 11.4511 k = 0.0726 0.1178 0.5360 ( 4902 PWs) bands (ev): -12.8446 -12.8446 -12.8441 -12.8441 -10.6140 -10.6140 -10.6133 -10.6133 -9.7726 -9.7726 -9.7703 -9.7703 -4.3140 -4.3140 -4.3130 -4.3130 -1.5177 -1.5177 -1.5003 -1.5003 0.1672 0.1672 0.1864 0.1864 0.2325 0.2325 0.2438 0.2438 1.4566 1.4566 1.4679 1.4679 2.2256 2.2256 2.2310 2.2310 3.3215 3.3215 3.3267 3.3267 3.9964 3.9964 3.9968 3.9968 4.1636 4.1636 4.1714 4.1714 8.9562 8.9562 8.9596 8.9596 9.4088 9.4088 9.4208 9.4208 11.4617 11.4617 k = 0.0635 0.1031 0.5360 ( 4902 PWs) bands (ev): -12.8483 -12.8483 -12.8479 -12.8479 -10.6210 -10.6210 -10.6203 -10.6203 -9.7495 -9.7495 -9.7474 -9.7474 -4.3496 -4.3496 -4.3488 -4.3488 -1.4938 -1.4938 -1.4780 -1.4780 0.1580 0.1580 0.1736 0.1736 0.2269 0.2269 0.2386 0.2386 1.4625 1.4625 1.4724 1.4724 2.2291 2.2291 2.2336 2.2336 3.3364 3.3364 3.3414 3.3414 4.0049 4.0049 4.0053 4.0053 4.1658 4.1658 4.1729 4.1729 8.9424 8.9424 8.9455 8.9455 9.3862 9.3862 9.3967 9.3967 11.4725 11.4725 k = 0.0545 0.0884 0.5360 ( 4890 PWs) bands (ev): -12.8516 -12.8516 -12.8512 -12.8512 -10.6270 -10.6270 -10.6264 -10.6264 -9.7290 -9.7290 -9.7272 -9.7272 -4.3809 -4.3809 -4.3802 -4.3802 -1.4728 -1.4728 -1.4589 -1.4589 0.1496 0.1496 0.1621 0.1621 0.2227 0.2227 0.2340 0.2340 1.4679 1.4679 1.4764 1.4764 2.2312 2.2312 2.2349 2.2349 3.3509 3.3509 3.3556 3.3556 4.0124 4.0124 4.0128 4.0128 4.1677 4.1677 4.1740 4.1740 8.9296 8.9296 8.9323 8.9323 9.3663 9.3663 9.3755 9.3755 11.4832 11.4832 k = 0.0454 0.0737 0.5360 ( 4890 PWs) bands (ev): -12.8544 -12.8544 -12.8541 -12.8541 -10.6320 -10.6320 -10.6316 -10.6316 -9.7114 -9.7114 -9.7098 -9.7098 -4.4077 -4.4077 -4.4072 -4.4072 -1.4548 -1.4548 -1.4430 -1.4430 0.1422 0.1422 0.1521 0.1521 0.2198 0.2198 0.2301 0.2301 1.4728 1.4728 1.4799 1.4799 2.2322 2.2322 2.2352 2.2352 3.3644 3.3644 3.3686 3.3686 4.0189 4.0189 4.0193 4.0193 4.1692 4.1692 4.1746 4.1746 8.9181 8.9181 8.9204 8.9204 9.3494 9.3494 9.3571 9.3571 11.4933 11.4933 k = 0.0363 0.0589 0.5360 ( 4898 PWs) bands (ev): -12.8567 -12.8567 -12.8565 -12.8565 -10.6362 -10.6362 -10.6358 -10.6358 -9.6967 -9.6967 -9.6954 -9.6954 -4.4299 -4.4299 -4.4295 -4.4295 -1.4397 -1.4397 -1.4301 -1.4301 0.1361 0.1361 0.1436 0.1436 0.2179 0.2179 0.2267 0.2267 1.4770 1.4770 1.4827 1.4827 2.2325 2.2325 2.2348 2.2348 3.3764 3.3764 3.3799 3.3799 4.0243 4.0243 4.0246 4.0246 4.1704 4.1704 4.1749 4.1749 8.9082 8.9082 8.9101 8.9101 9.3355 9.3355 9.3417 9.3417 11.5026 11.5026 k = 0.0272 0.0442 0.5360 ( 4894 PWs) bands (ev): -12.8585 -12.8585 -12.8583 -12.8583 -10.6394 -10.6394 -10.6391 -10.6391 -9.6851 -9.6851 -9.6842 -9.6842 -4.4473 -4.4473 -4.4470 -4.4470 -1.4278 -1.4278 -1.4204 -1.4204 0.1313 0.1313 0.1368 0.1368 0.2170 0.2170 0.2239 0.2239 1.4805 1.4805 1.4848 1.4848 2.2325 2.2325 2.2341 2.2341 3.3864 3.3864 3.3892 3.3892 4.0286 4.0286 4.0288 4.0288 4.1715 4.1715 4.1749 4.1749 8.9002 8.9002 8.9017 8.9017 9.3248 9.3248 9.3294 9.3294 11.5105 11.5105 k = 0.0182 0.0295 0.5360 ( 4886 PWs) bands (ev): -12.8598 -12.8598 -12.8597 -12.8597 -10.6416 -10.6416 -10.6414 -10.6414 -9.6767 -9.6767 -9.6761 -9.6761 -4.4598 -4.4598 -4.4596 -4.4596 -1.4188 -1.4188 -1.4139 -1.4139 0.1281 0.1281 0.1316 0.1316 0.2167 0.2167 0.2215 0.2215 1.4832 1.4832 1.4861 1.4861 2.2323 2.2323 2.2334 2.2334 3.3940 3.3940 3.3959 3.3959 4.0317 4.0317 4.0318 4.0318 4.1724 4.1724 4.1747 4.1747 8.8944 8.8944 8.8954 8.8954 9.3173 9.3173 9.3204 9.3204 11.5168 11.5168 k = 0.0091 0.0147 0.5360 ( 4890 PWs) bands (ev): -12.8606 -12.8606 -12.8605 -12.8605 -10.6430 -10.6430 -10.6429 -10.6429 -9.6716 -9.6716 -9.6713 -9.6713 -4.4673 -4.4673 -4.4672 -4.4672 -1.4129 -1.4129 -1.4105 -1.4105 0.1264 0.1264 0.1282 0.1282 0.2171 0.2171 0.2196 0.2196 1.4852 1.4852 1.4866 1.4866 2.2322 2.2322 2.2328 2.2328 3.3988 3.3988 3.3998 3.3998 4.0336 4.0336 4.0336 4.0336 4.1731 4.1731 4.1743 4.1743 8.8910 8.8910 8.8915 8.8915 9.3131 9.3131 9.3147 9.3147 11.5211 11.5211 k = 0.0000 0.0000 0.5360 ( 4896 PWs) bands (ev): -12.8608 -12.8608 -12.8608 -12.8608 -10.6434 -10.6434 -10.6434 -10.6434 -9.6698 -9.6698 -9.6698 -9.6698 -4.4698 -4.4698 -4.4698 -4.4698 -1.4102 -1.4102 -1.4102 -1.4102 0.1264 0.1264 0.1264 0.1264 0.2181 0.2181 0.2181 0.2181 1.4863 1.4863 1.4863 1.4863 2.2324 2.2324 2.2324 2.2324 3.4008 3.4008 3.4008 3.4008 4.0342 4.0342 4.0342 4.0342 4.1738 4.1738 4.1738 4.1738 8.8900 8.8900 8.8900 8.8900 9.3122 9.3122 9.3122 9.3122 11.5232 11.5232 k = 0.0000 0.0000 0.5360 ( 4896 PWs) bands (ev): -12.8608 -12.8608 -12.8608 -12.8608 -10.6434 -10.6434 -10.6434 -10.6434 -9.6698 -9.6698 -9.6698 -9.6698 -4.4698 -4.4698 -4.4698 -4.4698 -1.4102 -1.4102 -1.4102 -1.4102 0.1264 0.1264 0.1264 0.1264 0.2181 0.2181 0.2181 0.2181 1.4863 1.4863 1.4863 1.4863 2.2324 2.2324 2.2324 2.2324 3.4008 3.4008 3.4008 3.4008 4.0342 4.0342 4.0342 4.0342 4.1738 4.1738 4.1738 4.1738 8.8900 8.8900 8.8900 8.8900 9.3122 9.3122 9.3122 9.3122 11.5232 11.5232 k = 0.0000 0.0000 0.5187 ( 4894 PWs) bands (ev): -12.8808 -12.8808 -12.8411 -12.8411 -10.6801 -10.6801 -10.6050 -10.6050 -9.6767 -9.6767 -9.6634 -9.6634 -4.4730 -4.4730 -4.4630 -4.4630 -1.5431 -1.5431 -1.2789 -1.2789 0.0926 0.0926 0.1421 0.1421 0.1915 0.1915 0.2636 0.2636 1.4736 1.4736 1.4931 1.4931 2.2203 2.2203 2.2466 2.2466 3.3910 3.3910 3.4107 3.4107 4.0324 4.0324 4.0359 4.0359 4.1686 4.1686 4.1765 4.1765 8.8583 8.8583 8.9188 8.9188 9.3166 9.3166 9.3191 9.3191 11.4687 11.4687 k = 0.0000 0.0000 0.5014 ( 4902 PWs) bands (ev): -12.9012 -12.9012 -12.8219 -12.8219 -10.7153 -10.7153 -10.5651 -10.5651 -9.6841 -9.6841 -9.6576 -9.6576 -4.4726 -4.4726 -4.4527 -4.4527 -1.6772 -1.6772 -1.1502 -1.1502 0.0551 0.0551 0.1135 0.1135 0.2098 0.2098 0.3132 0.3132 1.4555 1.4555 1.4937 1.4937 2.2104 2.2104 2.2628 2.2628 3.3814 3.3814 3.4207 3.4207 4.0305 4.0305 4.0373 4.0373 4.1611 4.1611 4.1766 4.1766 8.8236 8.8236 8.9450 8.9450 9.3322 9.3322 9.3371 9.3371 11.4092 11.4092 k = 0.0000 0.0000 0.4841 ( 4895 PWs) bands (ev): -12.9218 -12.9218 -12.8031 -12.8031 -10.7488 -10.7488 -10.5236 -10.5236 -9.6920 -9.6920 -9.6524 -9.6524 -4.4686 -4.4686 -4.4389 -4.4389 -1.8118 -1.8118 -1.0251 -1.0251 0.0162 0.0162 0.0762 0.0762 0.2379 0.2379 0.3649 0.3649 1.4327 1.4327 1.4879 1.4879 2.2025 2.2025 2.2812 2.2812 3.3723 3.3723 3.4305 3.4305 4.0285 4.0285 4.0386 4.0386 4.1513 4.1513 4.1742 4.1742 8.7855 8.7855 8.9689 8.9689 9.3588 9.3588 9.3662 9.3662 11.3453 11.3453 k = 0.0000 0.0000 0.4668 ( 4895 PWs) bands (ev): -12.9426 -12.9426 -12.7849 -12.7849 -10.7806 -10.7806 -10.4806 -10.4806 -9.7004 -9.7004 -9.6478 -9.6478 -4.4610 -4.4610 -4.4217 -4.4217 -1.9467 -1.9467 -0.9051 -0.9051 -0.0238 -0.0238 0.0421 0.0421 0.2646 0.2646 0.4182 0.4182 1.4059 1.4059 1.4758 1.4758 2.1967 2.1967 2.3016 2.3016 3.3638 3.3638 3.4399 3.4399 4.0266 4.0266 4.0398 4.0398 4.1394 4.1394 4.1693 4.1693 8.7439 8.7439 8.9907 8.9907 9.3961 9.3961 9.4059 9.4059 11.2775 11.2775 k = 0.0000 0.0000 0.4495 ( 4903 PWs) bands (ev): -12.9634 -12.9634 -12.7672 -12.7672 -10.8109 -10.8109 -10.4362 -10.4362 -9.7091 -9.7091 -9.6437 -9.6437 -4.4499 -4.4499 -4.4011 -4.4011 -2.0813 -2.0813 -0.7926 -0.7926 -0.0643 -0.0643 0.0145 0.0145 0.2878 0.2878 0.4726 0.4726 1.3763 1.3763 1.4573 1.4573 2.1928 2.1928 2.3239 2.3239 3.3561 3.3561 3.4489 3.4489 4.0247 4.0247 4.0409 4.0409 4.1257 4.1257 4.1619 4.1619 8.6987 8.6987 9.0107 9.0107 9.4436 9.4436 9.4560 9.4560 11.2062 11.2062 k = 0.0000 0.0000 0.4322 ( 4905 PWs) bands (ev): -12.9843 -12.9843 -12.7502 -12.7502 -10.8396 -10.8396 -10.3904 -10.3904 -9.7182 -9.7182 -9.6403 -9.6403 -4.4354 -4.4354 -4.3773 -4.3773 -2.2153 -2.2153 -0.6913 -0.6913 -0.1053 -0.1053 -0.0025 -0.0025 0.3063 0.3063 0.5279 0.5279 1.3450 1.3450 1.4327 1.4327 2.1909 2.1909 2.3480 2.3480 3.3493 3.3493 3.4573 3.4573 4.0230 4.0230 4.0419 4.0419 4.1102 4.1102 4.1520 4.1520 8.6497 8.6497 9.0290 9.0290 9.5005 9.5005 9.5161 9.5161 11.1320 11.1320 k = 0.0000 0.0000 0.4150 ( 4905 PWs) bands (ev): -13.0051 -13.0051 -12.7337 -12.7337 -10.8667 -10.8667 -10.3434 -10.3434 -9.7276 -9.7276 -9.6374 -9.6374 -4.4174 -4.4174 -4.3505 -4.3505 -2.3484 -2.3484 -0.6065 -0.6065 -0.1468 -0.1468 -0.0039 -0.0039 0.3190 0.3190 0.5839 0.5839 1.3135 1.3135 1.4024 1.4024 2.1907 2.1907 2.3737 2.3737 3.3437 3.3437 3.4648 3.4648 4.0216 4.0216 4.0430 4.0430 4.0935 4.0935 4.1398 4.1398 8.5969 8.5969 9.0458 9.0458 9.5660 9.5660 9.5858 9.5858 11.0555 11.0555 k = 0.0000 0.0000 0.3977 ( 4905 PWs) bands (ev): -13.0258 -13.0258 -12.7180 -12.7180 -10.8923 -10.8923 -10.2952 -10.2952 -9.7372 -9.7372 -9.6351 -9.6351 -4.3961 -4.3961 -4.3207 -4.3207 -2.4802 -2.4802 -0.5441 -0.5441 -0.1885 -0.1885 0.0163 0.0163 0.3246 0.3246 0.6403 0.6403 1.2834 1.2834 1.3667 1.3667 2.1923 2.1923 2.4008 2.4008 3.3396 3.3396 3.4712 3.4712 4.0204 4.0204 4.0441 4.0441 4.0758 4.0758 4.1254 4.1254 8.5404 8.5404 9.0613 9.0613 9.6391 9.6391 9.6646 9.6646 10.9771 10.9771 k = 0.0000 0.0000 0.3804 ( 4913 PWs) bands (ev): -13.0463 -13.0463 -12.7030 -12.7030 -10.9164 -10.9164 -10.2461 -10.2461 -9.7470 -9.7470 -9.6333 -9.6333 -4.3717 -4.3717 -4.2881 -4.2881 -2.6105 -2.6105 -0.5074 -0.5074 -0.2305 -0.2305 0.0611 0.0611 0.3220 0.3220 0.6970 0.6970 1.2561 1.2561 1.3261 1.3261 2.1955 2.1955 2.4289 2.4289 3.3372 3.3372 3.4764 3.4764 4.0194 4.0194 4.0449 4.0449 4.0581 4.0581 4.1090 4.1090 8.4802 8.4802 9.0757 9.0757 9.7185 9.7185 9.7519 9.7519 10.8973 10.8973 k = 0.0000 0.0000 0.3631 ( 4917 PWs) bands (ev): -13.0665 -13.0665 -12.6886 -12.6886 -10.9390 -10.9390 -10.1960 -10.1960 -9.7569 -9.7569 -9.6320 -9.6320 -4.3442 -4.3442 -4.2529 -4.2529 -2.7389 -2.7389 -0.4939 -0.4939 -0.2726 -0.2726 0.1277 0.1277 0.3104 0.3104 0.7539 0.7539 1.2330 1.2330 1.2813 1.2813 2.2002 2.2002 2.4577 2.4577 3.3369 3.3369 3.4800 3.4800 4.0183 4.0183 4.0372 4.0372 4.0493 4.0493 4.0908 4.0908 8.4166 8.4166 9.0891 9.0891 9.8031 9.8031 9.8472 9.8472 10.8164 10.8164 k = 0.0000 0.0000 0.3458 ( 4923 PWs) bands (ev): -13.0863 -13.0863 -12.6750 -12.6750 -10.9603 -10.9603 -10.1453 -10.1453 -9.7668 -9.7668 -9.6312 -9.6312 -4.3139 -4.3139 -4.2153 -4.2153 -2.8650 -2.8650 -0.4969 -0.4969 -0.3148 -0.3148 0.2091 0.2091 0.2892 0.2892 0.8106 0.8106 1.2153 1.2153 1.2329 1.2329 2.2063 2.2063 2.4867 2.4867 3.3389 3.3389 3.4818 3.4818 4.0130 4.0130 4.0243 4.0243 4.0504 4.0504 4.0712 4.0712 8.3497 8.3497 9.1017 9.1017 9.8914 9.8914 9.9497 9.9497 10.7350 10.7350 k = 0.0000 0.0000 0.3285 ( 4921 PWs) bands (ev): -13.1057 -13.1057 -12.6621 -12.6621 -10.9801 -10.9801 -10.0941 -10.0941 -9.7768 -9.7768 -9.6308 -9.6308 -4.2809 -4.2809 -4.1755 -4.1755 -2.9886 -2.9886 -0.5102 -0.5102 -0.3569 -0.3569 0.2567 0.2567 0.3005 0.3005 0.8671 0.8671 1.1815 1.1815 1.2035 1.2035 2.2137 2.2137 2.5154 2.5154 3.3436 3.3436 3.4815 3.4815 3.9976 3.9976 4.0217 4.0217 4.0480 4.0480 4.0550 4.0550 8.2800 8.2800 9.1136 9.1136 9.9817 9.9817 10.0587 10.0587 10.6535 10.6535 k = 0.0000 0.0000 0.3112 ( 4925 PWs) bands (ev): -13.1245 -13.1245 -12.6499 -12.6499 -10.9987 -10.9987 -10.0426 -10.0426 -9.7867 -9.7867 -9.6308 -9.6308 -4.2455 -4.2455 -4.1338 -4.1338 -3.1094 -3.1094 -0.5294 -0.5294 -0.3990 -0.3990 0.2170 0.2170 0.3939 0.3939 0.9230 0.9230 1.1280 1.1280 1.1975 1.1975 2.2221 2.2221 2.5431 2.5431 3.3514 3.3514 3.4788 3.4788 3.9807 3.9807 4.0207 4.0207 4.0285 4.0285 4.0567 4.0567 8.2077 8.2077 9.1248 9.1248 10.0719 10.0719 10.1734 10.1734 10.5722 10.5722 k = 0.0000 0.0000 0.2939 ( 4915 PWs) bands (ev): -13.1428 -13.1428 -12.6384 -12.6384 -11.0160 -11.0160 -9.9911 -9.9911 -9.7964 -9.7964 -9.6311 -9.6311 -4.2079 -4.2079 -4.0904 -4.0904 -3.2269 -3.2269 -0.5517 -0.5517 -0.4410 -0.4410 0.1684 0.1684 0.4888 0.4888 0.9779 0.9779 1.0733 1.0733 1.1969 1.1969 2.2316 2.2316 2.5693 2.5693 3.3625 3.3625 3.4734 3.4734 3.9647 3.9647 4.0037 4.0037 4.0240 4.0240 4.0600 4.0600 8.1332 8.1332 9.1356 9.1356 10.1596 10.1596 10.2930 10.2930 10.4917 10.4917 k = 0.0000 0.0000 0.2766 ( 4907 PWs) bands (ev): -13.1604 -13.1604 -12.6277 -12.6277 -11.0320 -11.0320 -9.9398 -9.9398 -9.8059 -9.8059 -9.6318 -9.6318 -4.1685 -4.1685 -4.0457 -4.0457 -3.3409 -3.3409 -0.5756 -0.5756 -0.4827 -0.4827 0.1129 0.1129 0.5828 0.5828 1.0116 1.0116 1.0381 1.0381 1.2008 1.2008 2.2419 2.2419 2.5933 2.5933 3.3770 3.3770 3.4653 3.4653 3.9503 3.9503 3.9812 3.9812 4.0251 4.0251 4.0640 4.0640 8.0572 8.0572 9.1460 9.1460 10.2416 10.2416 10.4068 10.4068 10.4225 10.4225 k = 0.0000 0.0000 0.2593 ( 4919 PWs) bands (ev): -13.1772 -13.1772 -12.6177 -12.6177 -11.0468 -11.0468 -9.8891 -9.8891 -9.8151 -9.8151 -9.6327 -9.6327 -4.1275 -4.1275 -4.0000 -4.0000 -3.4509 -3.4509 -0.6000 -0.6000 -0.5241 -0.5241 0.0519 0.0519 0.6744 0.6744 0.9594 0.9594 1.0877 1.0877 1.2085 1.2085 2.2528 2.2528 2.6146 2.6146 3.3947 3.3947 3.4545 3.4545 3.9378 3.9378 3.9589 3.9589 4.0268 4.0268 4.0684 4.0684 7.9799 7.9799 9.1561 9.1561 10.3108 10.3108 10.3375 10.3375 10.5449 10.5449 k = 0.0000 0.0000 0.2421 ( 4917 PWs) bands (ev): -13.1933 -13.1933 -12.6084 -12.6084 -11.0605 -11.0605 -9.8400 -9.8400 -9.8231 -9.8231 -9.6338 -9.6338 -4.0852 -4.0852 -3.9536 -3.9536 -3.5566 -3.5566 -0.6245 -0.6245 -0.5649 -0.5649 -0.0129 -0.0129 0.7623 0.7623 0.9051 0.9051 1.1393 1.1393 1.2191 1.2191 2.2642 2.2642 2.6327 2.6327 3.4147 3.4147 3.4417 3.4417 3.9273 3.9273 3.9377 3.9377 4.0287 4.0287 4.0732 4.0732 7.9022 7.9022 9.1661 9.1661 10.2555 10.2555 10.3773 10.3773 10.6747 10.6747 k = 0.0000 0.0000 0.2248 ( 4909 PWs) bands (ev): -13.2086 -13.2086 -12.5998 -12.5998 -11.0730 -11.0730 -9.8334 -9.8334 -9.7895 -9.7895 -9.6351 -9.6351 -4.0422 -4.0422 -3.9069 -3.9069 -3.6577 -3.6577 -0.6489 -0.6489 -0.6045 -0.6045 -0.0803 -0.0803 0.8302 0.8302 0.8682 0.8682 1.1888 1.1888 1.2323 1.2323 2.2760 2.2760 2.6475 2.6475 3.4210 3.4210 3.4424 3.4424 3.9165 3.9165 3.9208 3.9208 4.0308 4.0308 4.0784 4.0784 7.8245 7.8245 9.1760 9.1760 10.1816 10.1816 10.4222 10.4222 10.8064 10.8064 k = 0.0000 0.0000 0.2075 ( 4909 PWs) bands (ev): -13.2229 -13.2229 -12.5919 -12.5919 -11.0845 -11.0845 -9.8414 -9.8414 -9.7423 -9.7423 -9.6364 -9.6364 -3.9988 -3.9988 -3.8603 -3.8603 -3.7536 -3.7536 -0.6742 -0.6742 -0.6416 -0.6416 -0.1489 -0.1489 0.7924 0.7924 0.9346 0.9346 1.2314 1.2314 1.2519 1.2519 2.2879 2.2879 2.6588 2.6588 3.4041 3.4041 3.4653 3.4653 3.9009 3.9009 3.9137 3.9137 4.0330 4.0330 4.0838 4.0838 7.7476 7.7476 9.1858 9.1858 10.1099 10.1099 10.4508 10.4508 10.9390 10.9390 k = 0.0000 0.0000 0.1902 ( 4909 PWs) bands (ev): -13.2362 -13.2362 -12.5847 -12.5847 -11.0949 -11.0949 -9.8491 -9.8491 -9.6969 -9.6969 -9.6377 -9.6377 -3.9555 -3.9555 -3.8443 -3.8443 -3.8140 -3.8140 -0.7028 -0.7028 -0.6733 -0.6733 -0.2173 -0.2173 0.7431 0.7431 1.0104 1.0104 1.2536 1.2536 1.2905 1.2905 2.2998 2.2998 2.6667 2.6667 3.3841 3.3841 3.4893 3.4893 3.8885 3.8885 3.9092 3.9092 4.0353 4.0353 4.0894 4.0894 7.6721 7.6721 9.1959 9.1959 10.0410 10.0410 10.4636 10.4636 11.0716 11.0716 k = 0.0000 0.0000 0.1729 ( 4917 PWs) bands (ev): -13.2486 -13.2486 -12.5781 -12.5781 -11.1043 -11.1043 -9.8563 -9.8563 -9.6549 -9.6549 -9.6377 -9.6377 -3.9295 -3.9295 -3.9119 -3.9119 -3.7694 -3.7694 -0.7360 -0.7360 -0.6980 -0.6980 -0.2845 -0.2845 0.6958 0.6958 1.0823 1.0823 1.2689 1.2689 1.3337 1.3337 2.3115 2.3115 2.6715 2.6715 3.3627 3.3627 3.5112 3.5112 3.8814 3.8814 3.9063 3.9063 4.0375 4.0375 4.0951 4.0951 7.5988 7.5988 9.2061 9.2061 9.9753 9.9753 10.4634 10.4634 11.2032 11.2032 k = 0.0000 0.0000 0.1556 ( 4923 PWs) bands (ev): -13.2599 -13.2599 -12.5723 -12.5723 -11.1128 -11.1128 -9.8629 -9.8629 -9.6422 -9.6422 -9.6109 -9.6109 -4.0070 -4.0070 -3.8712 -3.8712 -3.7262 -3.7262 -0.7709 -0.7709 -0.7179 -0.7179 -0.3494 -0.3494 0.6516 0.6516 1.1490 1.1490 1.2830 1.2830 1.3752 1.3752 2.3228 2.3228 2.6735 2.6735 3.3408 3.3408 3.5292 3.5292 3.8807 3.8807 3.9048 3.9048 4.0397 4.0397 4.1007 4.1007 7.5285 7.5285 9.2166 9.2166 9.9132 9.9132 10.4538 10.4538 11.3329 11.3329 k = 0.0000 0.0000 0.1383 ( 4921 PWs) bands (ev): -13.2702 -13.2702 -12.5670 -12.5670 -11.1202 -11.1202 -9.8690 -9.8690 -9.6431 -9.6431 -9.5735 -9.5735 -4.0783 -4.0783 -3.8316 -3.8316 -3.6852 -3.6852 -0.8052 -0.8052 -0.7350 -0.7350 -0.4108 -0.4108 0.6111 0.6111 1.2100 1.2100 1.2965 1.2965 1.4140 1.4140 2.3336 2.3336 2.6732 2.6732 3.3188 3.3188 3.5419 3.5419 3.8868 3.8868 3.9045 3.9045 4.0419 4.0419 4.1061 4.1061 7.4622 7.4622 9.2275 9.2275 9.8549 9.8549 10.4381 10.4381 11.4594 11.4594 k = 0.0000 0.0000 0.1210 ( 4927 PWs) bands (ev): -13.2793 -13.2793 -12.5624 -12.5624 -11.1268 -11.1268 -9.8744 -9.8744 -9.6443 -9.6443 -9.5390 -9.5390 -4.1425 -4.1425 -3.7944 -3.7944 -3.6471 -3.6471 -0.8377 -0.8377 -0.7498 -0.7498 -0.4679 -0.4679 0.5747 0.5747 1.2639 1.2639 1.3103 1.3103 1.4495 1.4495 2.3436 2.3436 2.6710 2.6710 3.2976 3.2976 3.5492 3.5492 3.8981 3.8981 3.9060 3.9060 4.0438 4.0438 4.1112 4.1112 7.4006 7.4006 9.2388 9.2388 9.8009 9.8009 10.4193 10.4193 11.5814 11.5814 k = 0.0000 0.0000 0.1037 ( 4923 PWs) bands (ev): -13.2872 -13.2872 -12.5585 -12.5585 -11.1324 -11.1324 -9.8792 -9.8792 -9.6455 -9.6455 -9.5081 -9.5081 -4.1991 -4.1991 -3.7603 -3.7603 -3.6123 -3.6123 -0.8677 -0.8677 -0.7626 -0.7626 -0.5196 -0.5196 0.5426 0.5426 1.3039 1.3039 1.3306 1.3306 1.4813 1.4813 2.3527 2.3527 2.6676 2.6676 3.2776 3.2776 3.5518 3.5518 3.9035 3.9035 3.9184 3.9184 4.0456 4.0456 4.1160 4.1160 7.3447 7.3447 9.2503 9.2503 9.7516 9.7516 10.3996 10.3996 11.6972 11.6972 k = 0.0000 0.0000 0.0864 ( 4925 PWs) bands (ev): -13.2940 -13.2940 -12.5552 -12.5552 -11.1371 -11.1371 -9.8833 -9.8833 -9.6466 -9.6466 -9.4812 -9.4812 -4.2477 -4.2477 -3.7301 -3.7301 -3.5816 -3.5816 -0.8945 -0.8945 -0.7735 -0.7735 -0.5651 -0.5651 0.5151 0.5151 1.3211 1.3211 1.3656 1.3656 1.5090 1.5090 2.3608 2.3608 2.6633 2.6633 3.2595 3.2595 3.5511 3.5511 3.9049 3.9049 3.9373 3.9373 4.0472 4.0472 4.1202 4.1202 7.2954 7.2954 9.2619 9.2619 9.7075 9.7075 10.3807 10.3807 11.8048 11.8048 k = 0.0000 0.0000 0.0692 ( 4923 PWs) bands (ev): -13.2996 -13.2996 -12.5524 -12.5524 -11.1409 -11.1409 -9.8867 -9.8867 -9.6475 -9.6475 -9.4588 -9.4588 -4.2880 -4.2880 -3.7042 -3.7042 -3.5555 -3.5555 -0.9173 -0.9173 -0.7824 -0.7824 -0.6035 -0.6035 0.4924 0.4924 1.3305 1.3305 1.3999 1.3999 1.5323 1.5323 2.3677 2.3677 2.6589 2.6589 3.2438 3.2438 3.5486 3.5486 3.9059 3.9059 3.9565 3.9565 4.0485 4.0485 4.1238 4.1238 7.2536 7.2536 9.2732 9.2732 9.6691 9.6691 10.3639 10.3639 11.9015 11.9015 k = 0.0000 0.0000 0.0519 ( 4919 PWs) bands (ev): -13.3039 -13.3039 -12.5503 -12.5503 -11.1439 -11.1439 -9.8893 -9.8893 -9.6483 -9.6483 -9.4410 -9.4410 -4.3196 -4.3196 -3.6834 -3.6834 -3.5346 -3.5346 -0.9358 -0.9358 -0.7893 -0.7893 -0.6342 -0.6342 0.4746 0.4746 1.3372 1.3372 1.4278 1.4278 1.5509 1.5509 2.3732 2.3732 2.6548 2.6548 3.2311 3.2311 3.5454 3.5454 3.9068 3.9068 3.9736 3.9736 4.0496 4.0496 4.1267 4.1267 7.2201 7.2201 9.2837 9.2837 9.6374 9.6374 10.3499 10.3499 11.9839 11.9839 k = 0.0000 0.0000 0.0346 ( 4919 PWs) bands (ev): -13.3070 -13.3070 -12.5488 -12.5488 -11.1460 -11.1460 -9.8912 -9.8912 -9.6488 -9.6488 -9.4281 -9.4281 -4.3424 -4.3424 -3.6682 -3.6682 -3.5193 -3.5193 -0.9494 -0.9494 -0.7943 -0.7943 -0.6565 -0.6565 0.4619 0.4619 1.3418 1.3418 1.4483 1.4483 1.5644 1.5644 2.3772 2.3772 2.6514 2.6514 3.2217 3.2217 3.5426 3.5426 3.9076 3.9076 3.9870 3.9870 4.0505 4.0505 4.1289 4.1289 7.1957 7.1957 9.2924 9.2924 9.6134 9.6134 10.3396 10.3396 12.0479 12.0479 k = 0.0000 0.0000 0.0173 ( 4919 PWs) bands (ev): -13.3089 -13.3089 -12.5479 -12.5479 -11.1473 -11.1473 -9.8924 -9.8924 -9.6492 -9.6492 -9.4203 -9.4203 -4.3562 -4.3562 -3.6589 -3.6589 -3.5100 -3.5100 -0.9578 -0.9578 -0.7974 -0.7974 -0.6701 -0.6701 0.4542 0.4542 1.3446 1.3446 1.4607 1.4607 1.5726 1.5726 2.3796 2.3796 2.6493 2.6493 3.2159 3.2159 3.5407 3.5407 3.9080 3.9080 3.9954 3.9954 4.0510 4.0510 4.1302 4.1302 7.1808 7.1808 9.2983 9.2983 9.5983 9.5983 10.3332 10.3332 12.0889 12.0889 k = 0.0000 0.0000 0.0000 ( 4921 PWs) bands (ev): -13.3095 -13.3095 -12.5476 -12.5476 -11.1477 -11.1477 -9.8927 -9.8927 -9.6493 -9.6493 -9.4177 -9.4177 -4.3608 -4.3608 -3.6557 -3.6557 -3.5068 -3.5068 -0.9606 -0.9606 -0.7984 -0.7984 -0.6747 -0.6747 0.4516 0.4516 1.3455 1.3455 1.4649 1.4649 1.5753 1.5753 2.3805 2.3805 2.6485 2.6485 3.2139 3.2139 3.5401 3.5401 3.9082 3.9082 3.9983 3.9983 4.0512 4.0512 4.1306 4.1306 7.1758 7.1758 9.3004 9.3004 9.5931 9.5931 10.3311 10.3311 12.1031 12.1031 k = 0.0000 0.0000 0.0000 ( 4921 PWs) bands (ev): -13.3095 -13.3095 -12.5476 -12.5476 -11.1477 -11.1477 -9.8927 -9.8927 -9.6493 -9.6493 -9.4177 -9.4177 -4.3608 -4.3608 -3.6557 -3.6557 -3.5068 -3.5068 -0.9606 -0.9606 -0.7984 -0.7984 -0.6747 -0.6747 0.4516 0.4516 1.3455 1.3455 1.4649 1.4649 1.5753 1.5753 2.3805 2.3805 2.6485 2.6485 3.2139 3.2139 3.5401 3.5401 3.9082 3.9082 3.9983 3.9983 4.0512 4.0512 4.1306 4.1306 7.1758 7.1758 9.3004 9.3004 9.5931 9.5931 10.3311 10.3311 12.1031 12.1031 k =-0.0147 0.0091 0.0000 ( 4905 PWs) bands (ev): -13.3088 -13.3088 -12.5477 -12.5476 -11.1494 -11.1492 -9.8928 -9.8925 -9.6498 -9.6490 -9.4181 -9.4169 -4.3617 -4.3614 -3.6545 -3.6536 -3.5053 -3.5048 -0.9620 -0.9601 -0.7972 -0.7960 -0.6763 -0.6745 0.4506 0.4509 1.3385 1.3428 1.4645 1.4672 1.5763 1.5772 2.3814 2.3837 2.6466 2.6484 3.2160 3.2163 3.5400 3.5403 3.9078 3.9079 3.9984 3.9989 4.0470 4.0471 4.1289 4.1291 7.1802 7.1805 9.2996 9.3030 9.5948 9.5948 10.3315 10.3342 12.0958 12.0994 k =-0.0294 0.0181 0.0000 ( 4915 PWs) bands (ev): -13.3065 -13.3065 -12.5479 -12.5477 -11.1543 -11.1540 -9.8926 -9.8922 -9.6505 -9.6490 -9.4181 -9.4157 -4.3641 -4.3635 -3.6501 -3.6482 -3.5003 -3.4993 -0.9642 -0.9605 -0.7925 -0.7903 -0.6793 -0.6758 0.4478 0.4485 1.3221 1.3305 1.4661 1.4713 1.5800 1.5818 2.3862 2.3907 2.6425 2.6460 3.2225 3.2231 3.5400 3.5406 3.9068 3.9069 3.9987 4.0002 4.0346 4.0352 4.1240 4.1244 7.1936 7.1942 9.3005 9.3072 9.5998 9.5998 10.3354 10.3407 12.0778 12.0848 k =-0.0441 0.0272 0.0000 ( 4917 PWs) bands (ev): -13.3026 -13.3026 -12.5482 -12.5478 -11.1623 -11.1619 -9.8923 -9.8916 -9.6513 -9.6492 -9.4178 -9.4142 -4.3679 -4.3670 -3.6424 -3.6397 -3.4917 -3.4902 -0.9672 -0.9618 -0.7843 -0.7811 -0.6838 -0.6785 0.4433 0.4443 1.2970 1.3091 1.4697 1.4771 1.5866 1.5890 2.3946 2.4009 2.6361 2.6414 3.2334 3.2342 3.5402 3.5411 3.9052 3.9053 3.9970 4.0022 4.0143 4.0183 4.1161 4.1166 7.2157 7.2166 9.3030 9.3130 9.6083 9.6085 10.3426 10.3505 12.0500 12.0600 k =-0.0588 0.0362 0.0000 ( 4933 PWs) bands (ev): -13.2973 -13.2972 -12.5485 -12.5480 -11.1735 -11.1730 -9.8919 -9.8910 -9.6524 -9.6495 -9.4172 -9.4124 -4.3729 -4.3717 -3.6317 -3.6282 -3.4797 -3.4777 -0.9710 -0.9641 -0.7726 -0.7687 -0.6895 -0.6824 0.4372 0.4384 1.2641 1.2794 1.4754 1.4846 1.5959 1.5987 2.4056 2.4132 2.6274 2.6345 3.2487 3.2497 3.5405 3.5418 3.9028 3.9031 3.9801 3.9864 4.0053 4.0102 4.1051 4.1058 7.2459 7.2472 9.3070 9.3201 9.6205 9.6209 10.3530 10.3633 12.0134 12.0257 k =-0.0735 0.0453 0.0000 ( 4945 PWs) bands (ev): -13.2904 -13.2903 -12.5489 -12.5483 -11.1877 -11.1871 -9.8913 -9.8902 -9.6535 -9.6500 -9.4163 -9.4104 -4.3790 -4.3776 -3.6182 -3.6139 -3.4643 -3.4619 -0.9754 -0.9672 -0.7579 -0.7532 -0.6965 -0.6874 0.4295 0.4310 1.2244 1.2427 1.4830 1.4938 1.6077 1.6108 2.4183 2.4269 2.6161 2.6249 3.2682 3.2693 3.5409 3.5426 3.8994 3.9002 3.9482 3.9523 4.0089 4.0118 4.0912 4.0921 7.2838 7.2853 9.3122 9.3284 9.6365 9.6372 10.3662 10.3787 11.9689 11.9831 k =-0.0882 0.0544 0.0000 ( 4945 PWs) bands (ev): -13.2820 -13.2819 -12.5494 -12.5487 -11.2048 -11.2041 -9.8907 -9.8893 -9.6546 -9.6505 -9.4152 -9.4083 -4.3859 -4.3843 -3.6020 -3.5970 -3.4457 -3.4428 -0.9804 -0.9711 -0.7407 -0.7352 -0.7039 -0.6927 0.4203 0.4220 1.1790 1.1999 1.4923 1.5047 1.6220 1.6252 2.4317 2.4409 2.6021 2.6125 3.2918 3.2929 3.5414 3.5435 3.8921 3.8955 3.9128 3.9138 4.0134 4.0157 4.0748 4.0757 7.3285 7.3302 9.3185 9.3376 9.6565 9.6577 10.3819 10.3964 11.9177 11.9330 k =-0.1029 0.0634 0.0000 ( 4943 PWs) bands (ev): -13.2721 -13.2720 -12.5499 -12.5491 -11.2247 -11.2239 -9.8900 -9.8884 -9.6557 -9.6511 -9.4139 -9.4061 -4.3935 -4.3917 -3.5834 -3.5778 -3.4239 -3.4205 -0.9858 -0.9757 -0.7245 -0.7218 -0.7046 -0.6949 0.4097 0.4115 1.1288 1.1520 1.5032 1.5171 1.6387 1.6420 2.4452 2.4544 2.5851 2.5971 3.3190 3.3201 3.5418 3.5445 3.8596 3.8653 3.8958 3.8973 4.0186 4.0208 4.0560 4.0570 7.3792 7.3811 9.3258 9.3476 9.6807 9.6824 10.3997 10.4159 11.8608 11.8766 k =-0.1176 0.0725 0.0000 ( 4945 PWs) bands (ev): -13.2607 -13.2606 -12.5506 -12.5496 -11.2472 -11.2464 -9.8892 -9.8875 -9.6567 -9.6516 -9.4126 -9.4039 -4.4015 -4.3997 -3.5628 -3.5565 -3.3991 -3.3952 -0.9918 -0.9808 -0.7282 -0.7211 -0.6837 -0.6823 0.3979 0.3998 1.0748 1.1000 1.5155 1.5309 1.6577 1.6609 2.4579 2.4667 2.5651 2.5784 3.3494 3.3505 3.5419 3.5454 3.8130 3.8177 3.8913 3.8922 4.0243 4.0268 4.0351 4.0366 7.4351 7.4372 9.3339 9.3582 9.7092 9.7114 10.4191 10.4368 11.7991 11.8148 k =-0.1324 0.0816 0.0000 ( 4935 PWs) bands (ev): -13.2478 -13.2478 -12.5512 -12.5502 -11.2723 -11.2714 -9.8884 -9.8866 -9.6575 -9.6520 -9.4113 -9.4018 -4.4098 -4.4079 -3.5402 -3.5335 -3.3714 -3.3671 -0.9981 -0.9863 -0.7390 -0.7282 -0.6572 -0.6563 0.3849 0.3868 1.0177 1.0446 1.5290 1.5459 1.6788 1.6820 2.4695 2.4771 2.5422 2.5563 3.3823 3.3832 3.5413 3.5459 3.7635 3.7673 3.8872 3.8878 4.0127 4.0133 4.0321 4.0336 7.4954 7.4977 9.3428 9.3692 9.7419 9.7446 10.4396 10.4586 11.7336 11.7487 k =-0.1471 0.0906 0.0000 ( 4939 PWs) bands (ev): -13.2335 -13.2335 -12.5519 -12.5508 -11.2998 -11.2988 -9.8876 -9.8857 -9.6581 -9.6521 -9.4102 -9.4000 -4.4181 -4.4162 -3.5160 -3.5088 -3.3410 -3.3363 -1.0046 -0.9922 -0.7512 -0.7382 -0.6272 -0.6256 0.3708 0.3728 0.9582 0.9867 1.5436 1.5619 1.7019 1.7052 2.4796 2.4835 2.5180 2.5305 3.4169 3.4177 3.5389 3.5453 3.7138 3.7162 3.8830 3.8834 3.9894 3.9902 4.0395 4.0412 7.5593 7.5617 9.3524 9.3808 9.7787 9.7819 10.4608 10.4807 11.6652 11.6793 k =-0.1618 0.0997 0.0000 ( 4941 PWs) bands (ev): -13.2178 -13.2178 -12.5527 -12.5515 -11.3294 -11.3284 -9.8869 -9.8848 -9.6585 -9.6521 -9.4092 -9.3983 -4.4264 -4.4245 -3.4903 -3.4828 -3.3082 -3.3030 -1.0113 -0.9982 -0.7641 -0.7495 -0.5938 -0.5921 0.3558 0.3578 0.8969 0.9267 1.5591 1.5788 1.7270 1.7302 2.4731 2.4879 2.5011 2.5052 3.4520 3.4526 3.5324 3.5415 3.6673 3.6673 3.8782 3.8783 3.9667 3.9673 4.0478 4.0495 7.6261 7.6286 9.3629 9.3929 9.8193 9.8231 10.4822 10.5029 11.5947 11.6076 k =-0.1765 0.1087 0.0000 ( 4935 PWs) bands (ev): -13.2007 -13.2007 -12.5535 -12.5522 -11.3610 -11.3600 -9.8862 -9.8841 -9.6585 -9.6517 -9.4084 -9.3970 -4.4345 -4.4326 -3.4635 -3.4557 -3.2731 -3.2675 -1.0181 -1.0044 -0.7776 -0.7617 -0.5577 -0.5562 0.3400 0.3419 0.8342 0.8651 1.5751 1.5963 1.7538 1.7571 2.4421 2.4670 2.4955 2.5074 3.4859 3.4868 3.5171 3.5294 3.6267 3.6301 3.8710 3.8712 3.9470 3.9474 4.0567 4.0585 7.6952 7.6978 9.3742 9.4056 9.8634 9.8678 10.5035 10.5246 11.5228 11.5344 k =-0.1912 0.1178 0.0000 ( 4927 PWs) bands (ev): -13.1823 -13.1823 -12.5543 -12.5530 -11.3945 -11.3934 -9.8856 -9.8834 -9.6581 -9.6510 -9.4080 -9.3960 -4.4422 -4.4403 -3.4358 -3.4277 -3.2359 -3.2300 -1.0248 -1.0105 -0.7914 -0.7744 -0.5193 -0.5180 0.3235 0.3254 0.7706 0.8026 1.5915 1.6142 1.7822 1.7855 2.4044 2.4300 2.5009 2.5112 3.4845 3.4999 3.5197 3.5201 3.6030 3.6080 3.8582 3.8588 3.9349 3.9349 4.0663 4.0681 7.7658 7.7685 9.3864 9.4189 9.9104 9.9157 10.5242 10.5455 11.4504 11.4606 k =-0.2059 0.1269 0.0000 ( 4925 PWs) bands (ev): -13.1626 -13.1625 -12.5552 -12.5538 -11.4296 -11.4285 -9.8850 -9.8829 -9.6573 -9.6499 -9.4079 -9.3955 -4.4496 -4.4477 -3.4073 -3.3991 -3.1970 -3.1907 -1.0313 -1.0165 -0.8054 -0.7874 -0.4787 -0.4777 0.3063 0.3082 0.7066 0.7394 1.6080 1.6323 1.8120 1.8155 2.3625 2.3894 2.5049 2.5143 3.4423 3.4572 3.5474 3.5480 3.5947 3.5988 3.8381 3.8391 3.9333 3.9336 4.0765 4.0783 7.8375 7.8402 9.3996 9.4331 9.9600 9.9661 10.5442 10.5655 11.3781 11.3870 k =-0.2206 0.1359 0.0000 ( 4927 PWs) bands (ev): -13.1416 -13.1415 -12.5561 -12.5547 -11.4662 -11.4651 -9.8846 -9.8825 -9.6560 -9.6484 -9.4083 -9.3955 -4.4564 -4.4546 -3.3782 -3.3699 -3.1566 -3.1500 -1.0374 -1.0222 -0.8194 -0.8006 -0.4363 -0.4358 0.2887 0.2906 0.6425 0.6760 1.6242 1.6502 1.8430 1.8467 2.3174 2.3458 2.5077 2.5163 3.3942 3.4081 3.5699 3.5711 3.5940 3.5964 3.8127 3.8137 3.9422 3.9425 4.0871 4.0889 7.9096 7.9123 9.4139 9.4481 10.0111 10.0184 10.5635 10.5844 11.3065 11.3141 k =-0.2353 0.1450 0.0000 ( 4915 PWs) bands (ev): -13.1194 -13.1193 -12.5570 -12.5556 -11.5040 -11.5030 -9.8843 -9.8822 -9.6543 -9.6464 -9.4091 -9.3960 -4.4627 -4.4610 -3.3488 -3.3404 -3.1150 -3.1080 -1.0432 -1.0275 -0.8332 -0.8138 -0.3924 -0.3924 0.2708 0.2727 0.5786 0.6126 1.6398 1.6675 1.8751 1.8790 2.2698 2.2999 2.5093 2.5173 3.3442 3.3574 3.5851 3.5879 3.5971 3.5972 3.7843 3.7853 3.9597 3.9600 4.0981 4.0998 7.9817 7.9845 9.4292 9.4640 10.0631 10.0717 10.5823 10.6024 11.2360 11.2425 k =-0.2500 0.1541 0.0000 ( 4927 PWs) bands (ev): -13.0960 -13.0960 -12.5579 -12.5565 -11.5429 -11.5420 -9.8841 -9.8820 -9.6521 -9.6440 -9.4104 -9.3970 -4.4685 -4.4669 -3.3192 -3.3109 -3.0725 -3.0653 -1.0484 -1.0323 -0.8467 -0.8268 -0.3479 -0.3473 0.2526 0.2547 0.5153 0.5496 1.6541 1.6838 1.9079 1.9122 2.2207 2.2525 2.5100 2.5175 3.2942 3.3069 3.5927 3.5975 3.6001 3.6026 3.7547 3.7556 3.9844 3.9845 4.1093 4.1111 8.0534 8.0563 9.4457 9.4810 10.1145 10.1249 10.6012 10.6201 11.1673 11.1728 k =-0.2647 0.1631 0.0000 ( 4927 PWs) bands (ev): -13.0716 -13.0715 -12.5588 -12.5574 -11.5827 -11.5818 -9.8840 -9.8819 -9.6494 -9.6411 -9.4121 -9.3986 -4.4737 -4.4721 -3.2897 -3.2815 -3.0294 -3.0220 -1.0530 -1.0366 -0.8597 -0.8394 -0.3027 -0.3015 0.2344 0.2367 0.4529 0.4874 1.6666 1.6983 1.9412 1.9460 2.1714 2.2048 2.5098 2.5169 3.2448 3.2571 3.5966 3.6007 3.6043 3.6066 3.7247 3.7255 4.0147 4.0147 4.1208 4.1224 8.1243 8.1271 9.4633 9.4990 10.1637 10.1764 10.6213 10.6385 11.1007 11.1054 k =-0.2794 0.1722 0.0000 ( 4929 PWs) bands (ev): -13.0462 -13.0461 -12.5597 -12.5583 -11.6232 -11.6223 -9.8839 -9.8819 -9.6462 -9.6377 -9.4144 -9.4007 -4.4783 -4.4768 -3.2605 -3.2524 -2.9861 -2.9785 -1.0569 -1.0401 -0.8720 -0.8515 -0.2573 -0.2553 0.2163 0.2190 0.3917 0.4262 1.6764 1.7100 1.9742 1.9803 2.1239 2.1581 2.5090 2.5157 3.1964 3.2083 3.5976 3.6002 3.6075 3.6087 3.6948 3.6955 4.0489 4.0490 4.1323 4.1339 8.1938 8.1967 9.4822 9.5182 10.2086 10.2241 10.6443 10.6591 11.0365 11.0406 k =-0.2941 0.1812 0.0000 ( 4925 PWs) bands (ev): -13.0199 -13.0198 -12.5606 -12.5592 -11.6642 -11.6633 -9.8840 -9.8821 -9.6426 -9.6339 -9.4172 -9.4035 -4.4823 -4.4809 -3.2317 -3.2238 -2.9430 -2.9352 -1.0599 -1.0429 -0.8835 -0.8630 -0.2123 -0.2094 0.1985 0.2018 0.3321 0.3663 1.6822 1.7174 2.0050 2.0145 2.0821 2.1144 2.5076 2.5140 3.1493 3.1609 3.5940 3.5954 3.6112 3.6114 3.6655 3.6661 4.0856 4.0858 4.1438 4.1453 8.2618 8.2646 9.5024 9.5385 10.2468 10.2655 10.6720 10.6839 10.9752 10.9790 k =-0.3088 0.1903 0.0000 ( 4921 PWs) bands (ev): -12.9928 -12.9928 -12.5614 -12.5601 -11.7054 -11.7045 -9.8841 -9.8823 -9.6385 -9.6297 -9.4205 -9.4067 -4.4857 -4.4845 -3.2036 -3.1960 -2.9003 -2.8926 -1.0621 -1.0448 -0.8940 -0.8738 -0.1684 -0.1644 0.1815 0.1856 0.2745 0.3081 1.6828 1.7185 2.0183 2.0474 2.0635 2.0768 2.5058 2.5119 3.1035 3.1148 3.5865 3.5873 3.6150 3.6150 3.6372 3.6376 4.1235 4.1237 4.1552 4.1567 8.3277 8.3306 9.5238 9.5600 10.2761 10.2981 10.7064 10.7152 10.9170 10.9208 k =-0.3235 0.1994 0.0000 ( 4913 PWs) bands (ev): -12.9651 -12.9650 -12.5622 -12.5610 -11.7465 -11.7457 -9.8843 -9.8826 -9.6339 -9.6250 -9.4242 -9.4105 -4.4886 -4.4875 -3.1764 -3.1691 -2.8586 -2.8509 -1.0633 -1.0459 -0.9035 -0.8836 -0.1267 -0.1213 0.1659 0.1710 0.2191 0.2520 1.6766 1.7109 1.9989 2.0409 2.0852 2.0861 2.5037 2.5096 3.0592 3.0701 3.5763 3.5767 3.6093 3.6097 3.6196 3.6198 4.1598 4.1604 4.1682 4.1688 8.3913 8.3941 9.5465 9.5827 10.2950 10.3201 10.7487 10.7539 10.8624 10.8668 k =-0.3382 0.2084 0.0000 ( 4921 PWs) bands (ev): -12.9369 -12.9369 -12.5630 -12.5618 -11.7874 -11.7867 -9.8845 -9.8829 -9.6290 -9.6200 -9.4283 -9.4148 -4.4911 -4.4900 -3.1502 -3.1433 -2.8183 -2.8106 -1.0635 -1.0462 -0.9118 -0.8925 -0.0884 -0.0816 0.1522 0.1584 0.1670 0.1990 1.6627 1.6933 1.9812 2.0178 2.1171 2.1179 2.5013 2.5071 3.0165 3.0269 3.5641 3.5641 3.5842 3.5842 3.6233 3.6234 4.1757 4.1772 4.1998 4.2004 8.4520 8.4548 9.5704 9.6065 10.3034 10.3309 10.7911 10.7951 10.8152 10.8266 k =-0.3529 0.2175 0.0000 ( 4927 PWs) bands (ev): -12.9085 -12.9085 -12.5637 -12.5626 -11.8278 -11.8271 -9.8848 -9.8833 -9.6237 -9.6147 -9.4328 -9.4195 -4.4931 -4.4921 -3.1254 -3.1189 -2.7796 -2.7722 -1.0629 -1.0457 -0.9188 -0.9004 -0.0558 -0.0479 0.1167 0.1390 0.1444 0.1599 1.6414 1.6667 1.9724 2.0028 2.1485 2.1502 2.4989 2.5046 2.9756 2.9855 3.5491 3.5497 3.5611 3.5616 3.6271 3.6272 4.1860 4.1874 4.2356 4.2361 8.5096 8.5123 9.5955 9.6314 10.3024 10.3315 10.7617 10.7619 10.8580 10.8644 k =-0.3676 0.2266 0.0000 ( 4911 PWs) bands (ev): -12.8801 -12.8801 -12.5644 -12.5634 -11.8672 -11.8665 -9.8851 -9.8837 -9.6182 -9.6092 -9.4375 -9.4246 -4.4947 -4.4938 -3.1021 -3.0961 -2.7431 -2.7360 -1.0613 -1.0445 -0.9245 -0.9072 -0.0313 -0.0241 0.0723 0.0949 0.1427 0.1555 1.6142 1.6339 1.9714 1.9955 2.1790 2.1812 2.4964 2.5020 2.9366 2.9460 3.5308 3.5318 3.5428 3.5436 3.6307 3.6308 4.1956 4.1968 4.2695 4.2700 8.5637 8.5663 9.6218 9.6572 10.2937 10.3236 10.7186 10.7195 10.9204 10.9250 k =-0.3824 0.2356 0.0000 ( 4913 PWs) bands (ev): -12.8520 -12.8520 -12.5650 -12.5641 -11.9053 -11.9047 -9.8853 -9.8841 -9.6124 -9.6035 -9.4425 -9.4301 -4.4959 -4.4951 -3.0805 -3.0750 -2.7091 -2.7024 -1.0589 -1.0426 -0.9290 -0.9131 -0.0171 -0.0165 0.0358 0.0503 0.1510 0.1633 1.5836 1.5982 1.9755 1.9940 2.2080 2.2106 2.4940 2.4994 2.9000 2.9087 3.5112 3.5120 3.5281 3.5288 3.6341 3.6341 4.2043 4.2054 4.3010 4.3015 8.6138 8.6162 9.6490 9.6838 10.2789 10.3091 10.6790 10.6803 10.9867 10.9909 k =-0.3971 0.2447 0.0000 ( 4915 PWs) bands (ev): -12.8247 -12.8247 -12.5656 -12.5647 -11.9416 -11.9411 -9.8856 -9.8845 -9.6065 -9.5979 -9.4474 -9.4357 -4.4969 -4.4962 -3.0609 -3.0560 -2.6780 -2.6718 -1.0558 -1.0404 -0.9322 -0.9179 -0.0317 -0.0131 0.0098 0.0150 0.1686 0.1792 1.5519 1.5624 1.9826 1.9964 2.2351 2.2380 2.4917 2.4970 2.8660 2.8740 3.4926 3.4933 3.5147 3.5152 3.6371 3.6371 4.2122 4.2133 4.3296 4.3301 8.6595 8.6618 9.6770 9.7109 10.2595 10.2896 10.6436 10.6450 11.0555 11.0596 k =-0.4118 0.2537 0.0000 ( 4921 PWs) bands (ev): -12.7986 -12.7985 -12.5661 -12.5653 -11.9757 -11.9752 -9.8859 -9.8850 -9.6006 -9.5924 -9.4523 -9.4414 -4.4976 -4.4970 -3.0433 -3.0391 -2.6501 -2.6446 -1.0522 -1.0380 -0.9344 -0.9218 -0.0596 -0.0310 -0.0114 0.0042 0.1911 0.1995 1.5211 1.5284 1.9911 2.0012 2.2597 2.2628 2.4896 2.4947 2.8352 2.8424 3.4759 3.4765 3.5024 3.5028 3.6398 3.6398 4.2193 4.2202 4.3551 4.3556 8.7004 8.7024 9.7054 9.7379 10.2373 10.2666 10.6125 10.6139 11.1253 11.1299 k =-0.4265 0.2628 0.0000 ( 4925 PWs) bands (ev): -12.7743 -12.7743 -12.5665 -12.5659 -12.0067 -12.0063 -9.8861 -9.8853 -9.5949 -9.5873 -9.4569 -9.4470 -4.4981 -4.4976 -3.0281 -3.0245 -2.6259 -2.6211 -1.0483 -1.0356 -0.9355 -0.9248 -0.0871 -0.0632 -0.0174 -0.0054 0.2144 0.2209 1.4927 1.4976 1.9998 2.0071 2.2816 2.2846 2.4878 2.4925 2.8080 2.8142 3.4614 3.4619 3.4914 3.4917 3.6421 3.6421 4.2254 4.2261 4.3771 4.3775 8.7359 8.7377 9.7337 9.7644 10.2136 10.2415 10.5859 10.5872 11.1951 11.2005 k =-0.4412 0.2719 0.0000 ( 4925 PWs) bands (ev): -12.7526 -12.7526 -12.5668 -12.5663 -12.0340 -12.0336 -9.8863 -9.8857 -9.5895 -9.5828 -9.4609 -9.4523 -4.4984 -4.4980 -3.0153 -3.0124 -2.6055 -2.6016 -1.0443 -1.0335 -0.9359 -0.9273 -0.1107 -0.0913 -0.0236 -0.0146 0.2359 0.2407 1.4680 1.4712 2.0081 2.0132 2.3003 2.3031 2.4863 2.4905 2.7848 2.7900 3.4492 3.4496 3.4819 3.4821 3.6440 3.6441 4.2304 4.2310 4.3954 4.3958 8.7658 8.7673 9.7613 9.7891 10.1901 10.2158 10.5639 10.5651 11.2634 11.2703 k =-0.4559 0.2809 0.0000 ( 4930 PWs) bands (ev): -12.7344 -12.7344 -12.5670 -12.5667 -12.0566 -12.0563 -9.8864 -9.8860 -9.5846 -9.5791 -9.4641 -9.4573 -4.4986 -4.4983 -3.0052 -3.0030 -2.5893 -2.5862 -1.0405 -1.0320 -0.9357 -0.9291 -0.1291 -0.1143 -0.0293 -0.0229 0.2540 0.2574 1.4479 1.4499 2.0152 2.0186 2.3155 2.3179 2.4853 2.4887 2.7663 2.7703 3.4396 3.4399 3.4742 3.4743 3.6455 3.6456 4.2344 4.2349 4.4099 4.4102 8.7895 8.7907 9.7871 9.8108 10.1689 10.1910 10.5467 10.5476 11.3278 11.3383 k =-0.4706 0.2900 0.0000 ( 4926 PWs) bands (ev): -12.7205 -12.7205 -12.5672 -12.5669 -12.0736 -12.0735 -9.8865 -9.8862 -9.5805 -9.5766 -9.4663 -9.4614 -4.4987 -4.4985 -2.9977 -2.9962 -2.5774 -2.5753 -1.0371 -1.0312 -0.9350 -0.9307 -0.1419 -0.1319 -0.0336 -0.0295 0.2677 0.2698 1.4331 1.4343 2.0208 2.0228 2.3267 2.3285 2.4847 2.4872 2.7529 2.7556 3.4327 3.4329 3.4685 3.4686 3.6466 3.6467 4.2374 4.2377 4.4203 4.4205 8.8069 8.8076 9.8096 9.8273 10.1524 10.1690 10.5344 10.5350 11.3759 11.3934 k =-0.4853 0.2991 0.0000 ( 4930 PWs) bands (ev): -12.7117 -12.7117 -12.5673 -12.5671 -12.0842 -12.0842 -9.8865 -9.8864 -9.5775 -9.5754 -9.4672 -9.4646 -4.4988 -4.4987 -2.9931 -2.9923 -2.5700 -2.5689 -1.0343 -1.0313 -0.9341 -0.9320 -0.1486 -0.1435 -0.0360 -0.0340 0.2763 0.2774 1.4241 1.4246 2.0244 2.0254 2.3338 2.3348 2.4846 2.4859 2.7450 2.7464 3.4284 3.4286 3.4650 3.4651 3.6473 3.6473 4.2391 4.2393 4.4266 4.4267 8.8174 8.8178 9.8267 9.8363 10.1432 10.1522 10.5270 10.5273 11.3849 11.3883 k =-0.5000 0.3081 0.0000 ( 4936 PWs) bands (ev): -12.7087 -12.7087 -12.5672 -12.5672 -12.0878 -12.0878 -9.8865 -9.8865 -9.5757 -9.5757 -9.4666 -9.4666 -4.4988 -4.4988 -2.9913 -2.9913 -2.5672 -2.5672 -1.0323 -1.0323 -0.9331 -0.9331 -0.1491 -0.1491 -0.0362 -0.0362 0.2796 0.2796 1.4212 1.4212 2.0260 2.0260 2.3366 2.3366 2.4851 2.4851 2.7428 2.7428 3.4271 3.4271 3.4639 3.4639 3.6475 3.6475 4.2398 4.2398 4.4288 4.4288 8.8211 8.8211 9.8361 9.8361 10.1430 10.1430 10.5246 10.5246 11.3849 11.3849 k =-0.5000 0.3081 0.0000 ( 4936 PWs) bands (ev): -12.7087 -12.7087 -12.5672 -12.5672 -12.0878 -12.0878 -9.8865 -9.8865 -9.5757 -9.5757 -9.4666 -9.4666 -4.4988 -4.4988 -2.9913 -2.9913 -2.5672 -2.5672 -1.0323 -1.0323 -0.9331 -0.9331 -0.1491 -0.1491 -0.0362 -0.0362 0.2796 0.2796 1.4212 1.4212 2.0260 2.0260 2.3366 2.3366 2.4851 2.4851 2.7428 2.7428 3.4271 3.4271 3.4639 3.4639 3.6475 3.6475 4.2398 4.2398 4.4288 4.4288 8.8211 8.8211 9.8361 9.8361 10.1430 10.1430 10.5246 10.5246 11.3849 11.3849 k =-0.4914 0.3221-0.0000 ( 4932 PWs) bands (ev): -12.7090 -12.7089 -12.5674 -12.5674 -12.0870 -12.0869 -9.8939 -9.8891 -9.5747 -9.5687 -9.4666 -9.4657 -4.4985 -4.4982 -2.9982 -2.9976 -2.5591 -2.5569 -1.0695 -1.0194 -0.9449 -0.8956 -0.1676 -0.1572 -0.0342 -0.0330 0.2851 0.2906 1.4221 1.4225 2.0235 2.0244 2.3367 2.3375 2.4827 2.4864 2.7405 2.7418 3.4265 3.4270 3.4639 3.4662 3.6486 3.6495 4.2382 4.2384 4.4284 4.4289 8.8227 8.8229 9.8337 9.8356 10.1431 10.1435 10.5236 10.5247 11.3800 11.3827 k =-0.4828 0.3361-0.0000 ( 4940 PWs) bands (ev): -12.7096 -12.7094 -12.5679 -12.5678 -12.0844 -12.0842 -9.9101 -9.9014 -9.5661 -9.5547 -9.4657 -9.4638 -4.4974 -4.4969 -3.0168 -3.0159 -2.5342 -2.5300 -1.1107 -1.0466 -0.9152 -0.8527 -0.2050 -0.1877 -0.0303 -0.0302 0.3062 0.3161 1.4252 1.4260 2.0170 2.0189 2.3379 2.3394 2.4793 2.4867 2.7351 2.7377 3.4253 3.4263 3.4661 3.4707 3.6529 3.6547 4.2337 4.2342 4.4276 4.4287 8.8277 8.8281 9.8284 9.8322 10.1437 10.1446 10.5215 10.5237 11.3689 11.3736 k =-0.4742 0.3501-0.0000 ( 4944 PWs) bands (ev): -12.7106 -12.7104 -12.5687 -12.5686 -12.0800 -12.0797 -9.9332 -9.9217 -9.5514 -9.5359 -9.4639 -9.4610 -4.4955 -4.4948 -3.0437 -3.0426 -2.4959 -2.4901 -1.1521 -1.0846 -0.8731 -0.8082 -0.2532 -0.2314 -0.0323 -0.0303 0.3395 0.3523 1.4304 1.4316 2.0067 2.0094 2.3400 2.3424 2.4749 2.4858 2.7269 2.7307 3.4234 3.4249 3.4704 3.4772 3.6603 3.6629 4.2266 4.2272 4.4264 4.4280 8.8362 8.8367 9.8203 9.8259 10.1451 10.1462 10.5183 10.5215 11.3529 11.3584 k =-0.4655 0.3640-0.0000 ( 4952 PWs) bands (ev): -12.7121 -12.7118 -12.5697 -12.5696 -12.0739 -12.0735 -9.9613 -9.9481 -9.5326 -9.5140 -9.4611 -9.4572 -4.4928 -4.4920 -3.0754 -3.0746 -2.4477 -2.4404 -1.1927 -1.1239 -0.8283 -0.7629 -0.3076 -0.2825 -0.0401 -0.0360 0.3810 0.3956 1.4378 1.4394 1.9927 1.9961 2.3432 2.3463 2.4694 2.4837 2.7161 2.7210 3.4207 3.4227 3.4765 3.4853 3.6709 3.6743 4.2170 4.2179 4.4246 4.4265 8.8480 8.8487 9.8093 9.8167 10.1474 10.1488 10.5141 10.5182 11.3328 11.3385 k =-0.4569 0.3780-0.0000 ( 4944 PWs) bands (ev): -12.7140 -12.7137 -12.5710 -12.5709 -12.0660 -12.0655 -9.9931 -9.9788 -9.5114 -9.4905 -9.4573 -9.4525 -4.4893 -4.4883 -3.1097 -3.1092 -2.3921 -2.3835 -1.2319 -1.1625 -0.7826 -0.7174 -0.3656 -0.3379 -0.0531 -0.0472 0.4275 0.4428 1.4473 1.4494 1.9751 1.9791 2.3472 2.3512 2.4628 2.4802 2.7032 2.7092 3.4173 3.4197 3.4840 3.4945 3.6846 3.6887 4.2053 4.2066 4.4219 4.4241 8.8632 8.8641 9.7955 9.8046 10.1510 10.1524 10.5088 10.5136 11.3094 11.3146 k =-0.4483 0.3920-0.0000 ( 4944 PWs) bands (ev): -12.7164 -12.7160 -12.5725 -12.5723 -12.0564 -12.0558 -10.0273 -10.0125 -9.4894 -9.4667 -9.4524 -9.4467 -4.4852 -4.4840 -3.1450 -3.1449 -2.3310 -2.3211 -1.2694 -1.1997 -0.7366 -0.6718 -0.4257 -0.3959 -0.0707 -0.0633 0.4766 0.4921 1.4590 1.4615 1.9542 1.9587 2.3520 2.3568 2.4549 2.4752 2.6888 2.6957 3.4133 3.4160 3.4925 3.5044 3.7014 3.7060 4.1919 4.1936 4.4181 4.4206 8.8819 8.8829 9.7791 9.7898 10.1562 10.1575 10.5022 10.5076 11.2829 11.2874 k =-0.4397 0.4060-0.0000 ( 4944 PWs) bands (ev): -12.7194 -12.7189 -12.5741 -12.5739 -12.0450 -12.0443 -10.0633 -10.0482 -9.4678 -9.4459 -9.4457 -9.4372 -4.4803 -4.4789 -3.1807 -3.1804 -2.2655 -2.2544 -1.3049 -1.2350 -0.6907 -0.6267 -0.4868 -0.4552 -0.0927 -0.0838 0.5266 0.5421 1.4727 1.4757 1.9303 1.9350 2.3575 2.3633 2.4457 2.4686 2.6733 2.6811 3.4088 3.4117 3.5016 3.5145 3.7210 3.7260 4.1771 4.1792 4.4131 4.4157 8.9038 8.9051 9.7600 9.7722 10.1633 10.1643 10.4943 10.5001 11.2538 11.2572 k =-0.4311 0.4200-0.0000 ( 4950 PWs) bands (ev): -12.7230 -12.7225 -12.5758 -12.5756 -12.0319 -12.0310 -10.1005 -10.0855 -9.4496 -9.4355 -9.4353 -9.4170 -4.4747 -4.4731 -3.2161 -3.2153 -2.1966 -2.1842 -1.3380 -1.2681 -0.6458 -0.5856 -0.5446 -0.5144 -0.1185 -0.1084 0.5764 0.5916 1.4885 1.4920 1.9035 1.9085 2.3636 2.3702 2.4351 2.4602 2.6573 2.6658 3.4038 3.4068 3.5110 3.5246 3.7433 3.7484 4.1613 4.1638 4.4067 4.4094 8.9292 8.9306 9.7383 9.7518 10.1726 10.1733 10.4850 10.4910 11.2221 11.2244 k =-0.4225 0.4339-0.0000 ( 4948 PWs) bands (ev): -12.7273 -12.7267 -12.5775 -12.5773 -12.0170 -12.0161 -10.1385 -10.1237 -9.4384 -9.4270 -9.4181 -9.3948 -4.4685 -4.4667 -3.2507 -3.2495 -2.1250 -2.1112 -1.3683 -1.2987 -0.6161 -0.6096 -0.5653 -0.5313 -0.1481 -0.1367 0.6250 0.6400 1.5063 1.5103 1.8742 1.8794 2.3699 2.3776 2.4231 2.4501 2.6413 2.6504 3.3984 3.4014 3.5205 3.5345 3.7678 3.7730 4.1447 4.1477 4.3989 4.4016 8.9578 8.9595 9.7141 9.7289 10.1846 10.1847 10.4741 10.4802 11.1881 11.1892 k =-0.4139 0.4479-0.0000 ( 4930 PWs) bands (ev): -12.7323 -12.7317 -12.5792 -12.5789 -12.0004 -11.9994 -10.1770 -10.1624 -9.4296 -9.4182 -9.3986 -9.3735 -4.4616 -4.4598 -3.2844 -3.2828 -2.0512 -2.0359 -1.3952 -1.3261 -0.6770 -0.6439 -0.5459 -0.4875 -0.1812 -0.1686 0.6718 0.6865 1.5261 1.5306 1.8428 1.8483 2.3758 2.3851 2.4099 2.4380 2.6258 2.6354 3.3927 3.3956 3.5299 3.5442 3.7941 3.7993 4.1277 4.1310 4.3897 4.3924 8.9897 8.9916 9.6876 9.7034 10.1990 10.1996 10.4616 10.4677 11.1518 11.1520 k =-0.4052 0.4619-0.0000 ( 4930 PWs) bands (ev): -12.7381 -12.7374 -12.5807 -12.5805 -11.9821 -11.9809 -10.2157 -10.2015 -9.4208 -9.4088 -9.3796 -9.3535 -4.4542 -4.4523 -3.3172 -3.3151 -1.9762 -1.9590 -1.4181 -1.3500 -0.7386 -0.7019 -0.5025 -0.4430 -0.2178 -0.2039 0.7160 0.7306 1.5476 1.5529 1.8097 1.8155 2.3792 2.3924 2.3974 2.4239 2.6113 2.6214 3.3866 3.3895 3.5392 3.5535 3.8219 3.8269 4.1104 4.1142 4.3792 4.3817 9.0248 9.0269 9.6588 9.6754 10.2165 10.2177 10.4473 10.4534 11.1125 11.1139 k =-0.3966 0.4759-0.0000 ( 4934 PWs) bands (ev): -12.7447 -12.7439 -12.5822 -12.5819 -11.9621 -11.9608 -10.2546 -10.2407 -9.4115 -9.3988 -9.3617 -9.3349 -4.4464 -4.4443 -3.3490 -3.3466 -1.9010 -1.8814 -1.4360 -1.3694 -0.7996 -0.7609 -0.4578 -0.3986 -0.2575 -0.2424 0.7570 0.7716 1.5709 1.5770 1.7756 1.7819 2.3706 2.3946 2.3988 2.4081 2.5985 2.6088 3.3803 3.3831 3.5482 3.5624 3.8507 3.8556 4.0931 4.0972 4.3673 4.3696 9.0630 9.0654 9.6277 9.6451 10.2373 10.2392 10.4312 10.4373 11.0714 11.0740 k =-0.3880 0.4898-0.0000 ( 4922 PWs) bands (ev): -12.7521 -12.7513 -12.5834 -12.5831 -11.9405 -11.9390 -10.2932 -10.2798 -9.4017 -9.3881 -9.3453 -9.3179 -4.4380 -4.4358 -3.3801 -3.3773 -1.8275 -1.8043 -1.4469 -1.3831 -0.8596 -0.8192 -0.4134 -0.3546 -0.3003 -0.2837 0.7941 0.8088 1.5953 1.6026 1.7411 1.7484 2.3528 2.3889 2.3982 2.4054 2.5880 2.5982 3.3739 3.3764 3.5569 3.5709 3.8801 3.8848 4.0760 4.0805 4.3542 4.3563 9.1043 9.1070 9.5946 9.6125 10.2618 10.2641 10.4135 10.4196 11.0288 11.0326 k =-0.3794 0.5038-0.0000 ( 4914 PWs) bands (ev): -12.7604 -12.7596 -12.5844 -12.5842 -11.9171 -11.9155 -10.3317 -10.3187 -9.3914 -9.3769 -9.3304 -9.3026 -4.4293 -4.4270 -3.4105 -3.4073 -1.7588 -1.7301 -1.4479 -1.3889 -0.9185 -0.8765 -0.3719 -0.3472 -0.3252 -0.3096 0.8264 0.8415 1.6198 1.6289 1.7079 1.7170 2.3318 2.3686 2.4019 2.4093 2.5805 2.5902 3.3673 3.3696 3.5653 3.5791 3.9097 3.9143 4.0592 4.0640 4.3402 4.3420 9.1486 9.1515 9.5595 9.5778 10.2897 10.2922 10.3942 10.4008 10.9849 10.9899 k =-0.3708 0.5178-0.0000 ( 4914 PWs) bands (ev): -12.7696 -12.7688 -12.5852 -12.5849 -11.8921 -11.8904 -10.3697 -10.3571 -9.3806 -9.3652 -9.3170 -9.2889 -4.4203 -4.4179 -3.4402 -3.4367 -1.7003 -1.6631 -1.4335 -1.3824 -0.9760 -0.9324 -0.3957 -0.3822 -0.3182 -0.2661 0.8531 0.8689 1.6379 1.6487 1.6838 1.6947 2.3084 2.3459 2.4043 2.4114 2.5763 2.5851 3.3607 3.3627 3.5734 3.5869 3.9393 3.9437 4.0430 4.0479 4.3253 4.3269 9.1957 9.1989 9.5224 9.5409 10.3198 10.3211 10.3750 10.3833 10.9400 10.9461 k =-0.3622 0.5318-0.0000 ( 4920 PWs) bands (ev): -12.7797 -12.7788 -12.5857 -12.5855 -11.8655 -11.8636 -10.4072 -10.3951 -9.3693 -9.3530 -9.3052 -9.2769 -4.4111 -4.4086 -3.4695 -3.4657 -1.6578 -1.6095 -1.3982 -1.3575 -1.0317 -0.9867 -0.4474 -0.4309 -0.2755 -0.2225 0.8733 0.8899 1.6311 1.6328 1.6989 1.7011 2.2828 2.3210 2.4051 2.4114 2.5758 2.5832 3.3540 3.3557 3.5811 3.5942 3.9685 3.9727 4.0273 4.0323 4.3098 4.3110 9.2455 9.2490 9.4835 9.5021 10.3347 10.3357 10.3724 10.3836 10.8942 10.9013 k =-0.3536 0.5458-0.0000 ( 4916 PWs) bands (ev): -12.7906 -12.7897 -12.5860 -12.5858 -11.8372 -11.8352 -10.4441 -10.4324 -9.3576 -9.3405 -9.2950 -9.2665 -4.4016 -4.3991 -3.4985 -3.4943 -1.6318 -1.5737 -1.3416 -1.3100 -1.0854 -1.0392 -0.5018 -0.4841 -0.2313 -0.1789 0.8859 0.9036 1.6059 1.6089 1.7276 1.7295 2.2552 2.2939 2.4044 2.4095 2.5787 2.5845 3.3474 3.3488 3.5883 3.6011 3.9971 4.0009 4.0123 4.0176 4.2939 4.2948 9.2979 9.3018 9.4429 9.4614 10.3174 10.3184 10.4066 10.4161 10.8477 10.8559 k =-0.3449 0.5597-0.0000 ( 4920 PWs) bands (ev): -12.8023 -12.8015 -12.5860 -12.5858 -11.8073 -11.8051 -10.4802 -10.4690 -9.3457 -9.3276 -9.2864 -9.2578 -4.3921 -4.3895 -3.5274 -3.5228 -1.6163 -1.5525 -1.2702 -1.2431 -1.1364 -1.0897 -0.5588 -0.5402 -0.1868 -0.1353 0.8900 0.9090 1.5815 1.5869 1.7595 1.7632 2.2255 2.2647 2.4024 2.4062 2.5845 2.5886 3.3410 3.3419 3.5951 3.6075 3.9979 4.0028 4.0249 4.0289 4.2778 4.2785 9.3527 9.3569 9.4006 9.4188 10.2919 10.2937 10.4507 10.4598 10.8009 10.8101 k =-0.3449 0.5597-0.0000 ( 4920 PWs) bands (ev): -12.8023 -12.8015 -12.5860 -12.5858 -11.8073 -11.8051 -10.4802 -10.4690 -9.3457 -9.3276 -9.2864 -9.2578 -4.3921 -4.3895 -3.5274 -3.5228 -1.6163 -1.5525 -1.2702 -1.2431 -1.1364 -1.0897 -0.5588 -0.5402 -0.1868 -0.1353 0.8900 0.9090 1.5815 1.5869 1.7595 1.7632 2.2255 2.2647 2.4024 2.4062 2.5845 2.5886 3.3410 3.3419 3.5951 3.6075 3.9979 4.0028 4.0249 4.0289 4.2778 4.2785 9.3527 9.3569 9.4006 9.4188 10.2919 10.2937 10.4507 10.4598 10.8009 10.8101 k =-0.3449 0.5597 0.0173 ( 4916 PWs) bands (ev): -12.8021 -12.8012 -12.5861 -12.5859 -11.8063 -11.8041 -10.4798 -10.4686 -9.3484 -9.3304 -9.2875 -9.2590 -4.3886 -4.3861 -3.5282 -3.5236 -1.6133 -1.5501 -1.2757 -1.2486 -1.1347 -1.0879 -0.5615 -0.5429 -0.1802 -0.1293 0.8906 0.9095 1.5808 1.5861 1.7598 1.7635 2.2253 2.2642 2.3970 2.4008 2.5892 2.5932 3.3406 3.3414 3.5964 3.6087 3.9975 4.0023 4.0251 4.0291 4.2770 4.2777 9.3512 9.3553 9.3984 9.4167 10.2806 10.2825 10.4507 10.4599 10.8116 10.8209 k =-0.3449 0.5597 0.0346 ( 4918 PWs) bands (ev): -12.8013 -12.8005 -12.5862 -12.5860 -11.8031 -11.8009 -10.4783 -10.4672 -9.3567 -9.3388 -9.2909 -9.2624 -4.3781 -4.3758 -3.5305 -3.5260 -1.6048 -1.5435 -1.2911 -1.2640 -1.1296 -1.0824 -0.5693 -0.5509 -0.1609 -0.1117 0.8924 0.9111 1.5788 1.5838 1.7605 1.7642 2.2249 2.2628 2.3823 2.3860 2.6016 2.6056 3.3393 3.3400 3.6002 3.6123 3.9962 4.0010 4.0257 4.0297 4.2746 4.2753 9.3470 9.3507 9.3920 9.4102 10.2495 10.2516 10.4511 10.4602 10.8409 10.8505 k =-0.3449 0.5597 0.0519 ( 4915 PWs) bands (ev): -12.8001 -12.7992 -12.5864 -12.5862 -11.7978 -11.7956 -10.4759 -10.4649 -9.3703 -9.3527 -9.2965 -9.2683 -4.3608 -4.3588 -3.5342 -3.5297 -1.5926 -1.5355 -1.3135 -1.2851 -1.1208 -1.0733 -0.5822 -0.5643 -0.1307 -0.0839 0.8953 0.9138 1.5756 1.5799 1.7616 1.7654 2.2239 2.2603 2.3612 2.3648 2.6191 2.6230 3.3372 3.3376 3.6063 3.6181 3.9941 3.9988 4.0267 4.0306 4.2707 4.2713 9.3404 9.3435 9.3813 9.3995 10.2044 10.2067 10.4519 10.4612 10.8830 10.8929 k =-0.3449 0.5597 0.0692 ( 4914 PWs) bands (ev): -12.7984 -12.7975 -12.5866 -12.5865 -11.7904 -11.7883 -10.4726 -10.4616 -9.3892 -9.3719 -9.3042 -9.2763 -4.3368 -4.3352 -3.5391 -3.5347 -1.5813 -1.5324 -1.3373 -1.3039 -1.1085 -1.0608 -0.6000 -0.5826 -0.0915 -0.0477 0.8994 0.9176 1.5711 1.5746 1.7631 1.7669 2.2223 2.2566 2.3361 2.3397 2.6392 2.6433 3.3345 3.3346 3.6145 3.6258 3.9910 3.9957 4.0279 4.0317 4.2652 4.2657 9.3319 9.3343 9.3664 9.3846 10.1511 10.1535 10.4536 10.4630 10.9321 10.9425 k =-0.3449 0.5597 0.0864 ( 4916 PWs) bands (ev): -12.7962 -12.7954 -12.5870 -12.5868 -11.7809 -11.7788 -10.4683 -10.4574 -9.4132 -9.3962 -9.3142 -9.2867 -4.3063 -4.3052 -3.5449 -3.5405 -1.5794 -1.5433 -1.3522 -1.3092 -1.0928 -1.0449 -0.6225 -0.6057 -0.0457 -0.0051 0.9047 0.9224 1.5655 1.5679 1.7648 1.7686 2.2197 2.2514 2.3087 2.3124 2.6608 2.6651 3.3311 3.3313 3.6244 3.6352 3.9871 3.9917 4.0294 4.0330 4.2581 4.2587 9.3223 9.3238 9.3476 9.3654 10.0937 10.0963 10.4560 10.4658 10.9843 10.9951 k =-0.3449 0.5597 0.1037 ( 4920 PWs) bands (ev): -12.7936 -12.7927 -12.5874 -12.5873 -11.7693 -11.7673 -10.4630 -10.4523 -9.4420 -9.4255 -9.3261 -9.2991 -4.2696 -4.2692 -3.5512 -3.5469 -1.5970 -1.5744 -1.3470 -1.2937 -1.0738 -1.0261 -0.6492 -0.6330 0.0048 0.0422 0.9111 0.9282 1.5586 1.5599 1.7666 1.7703 2.2157 2.2445 2.2803 2.2840 2.6828 2.6874 3.3273 3.3278 3.6357 3.6459 3.9824 3.9868 4.0309 4.0344 4.2497 4.2501 9.3118 9.3130 9.3253 9.3423 10.0351 10.0379 10.4595 10.4696 11.0368 11.0477 k =-0.3449 0.5597 0.1210 ( 4935 PWs) bands (ev): -12.7905 -12.7897 -12.5880 -12.5878 -11.7556 -11.7536 -10.4568 -10.4462 -9.4753 -9.4593 -9.3402 -9.3137 -4.2275 -4.2272 -3.5576 -3.5535 -1.6355 -1.6225 -1.3190 -1.2592 -1.0522 -1.0050 -0.6794 -0.6638 0.0583 0.0924 0.9186 0.9351 1.5506 1.5506 1.7682 1.7717 2.2096 2.2353 2.2521 2.2557 2.7050 2.7099 3.3234 3.3242 3.6480 3.6575 3.9767 3.9810 4.0325 4.0357 4.2397 4.2401 9.2944 9.3025 9.3069 9.3154 9.9774 9.9805 10.4639 10.4744 11.0874 11.0982 k =-0.3449 0.5597 0.1383 ( 4939 PWs) bands (ev): -12.7871 -12.7862 -12.5886 -12.5885 -11.7398 -11.7379 -10.4495 -10.4391 -9.5129 -9.4974 -9.3561 -9.3303 -4.1803 -4.1792 -3.5638 -3.5599 -1.6885 -1.6814 -1.2741 -1.2112 -1.0286 -0.9827 -0.7122 -0.6965 0.1133 0.1442 0.9272 0.9431 1.5401 1.5415 1.7692 1.7725 2.2002 2.2214 2.2258 2.2303 2.7272 2.7324 3.3195 3.3206 3.6609 3.6698 3.9702 3.9743 4.0338 4.0369 4.2285 4.2288 9.2653 9.2832 9.2952 9.2984 9.9221 9.9254 10.4695 10.4803 11.1342 11.1447 k =-0.3449 0.5597 0.1556 ( 4935 PWs) bands (ev): -12.7832 -12.7823 -12.5894 -12.5893 -11.7219 -11.7201 -10.4413 -10.4311 -9.5543 -9.5394 -9.3739 -9.3489 -4.1281 -4.1261 -3.5695 -3.5658 -1.7501 -1.7469 -1.2178 -1.1535 -1.0051 -0.9620 -0.7452 -0.7282 0.1686 0.1964 0.9368 0.9520 1.5285 1.5314 1.7693 1.7723 2.1843 2.1974 2.2048 2.2136 2.7493 2.7548 3.3157 3.3170 3.6741 3.6825 3.9629 3.9667 4.0347 4.0376 4.2160 4.2161 9.2320 9.2496 9.2884 9.2933 9.8701 9.8737 10.4761 10.4873 11.1756 11.1853 k =-0.3449 0.5597 0.1729 ( 4935 PWs) bands (ev): -12.7789 -12.7780 -12.5902 -12.5901 -11.7020 -11.7003 -10.4321 -10.4221 -9.5993 -9.5850 -9.3935 -9.3692 -4.0712 -4.0684 -3.5742 -3.5708 -1.8167 -1.8163 -1.1534 -1.0882 -0.9858 -0.9489 -0.7739 -0.7526 0.2235 0.2483 0.9475 0.9619 1.5158 1.5201 1.7679 1.7704 2.1624 2.1720 2.1890 2.1974 2.7713 2.7770 3.3123 3.3137 3.6873 3.6951 3.9548 3.9583 4.0351 4.0377 4.2023 4.2024 9.1962 9.2129 9.2852 9.2916 9.8221 9.8258 10.4837 10.4952 11.2096 11.2182 k =-0.3449 0.5597 0.1902 ( 4935 PWs) bands (ev): -12.7743 -12.7734 -12.5912 -12.5912 -11.6800 -11.6784 -10.4218 -10.4122 -9.6475 -9.6338 -9.4147 -9.3913 -4.0101 -4.0064 -3.5777 -3.5747 -1.8882 -1.8865 -1.0835 -1.0171 -0.9788 -0.9535 -0.7893 -0.7593 0.2770 0.2990 0.9591 0.9727 1.5020 1.5077 1.7645 1.7664 2.1398 2.1480 2.1733 2.1789 2.7932 2.7992 3.3091 3.3107 3.7003 3.7075 3.9461 3.9492 4.0348 4.0371 4.1874 4.1876 9.1586 9.1744 9.2859 9.2938 9.7784 9.7823 10.4923 10.5039 11.2337 11.2412 k =-0.3449 0.5597 0.2075 ( 4934 PWs) bands (ev): -12.7693 -12.7684 -12.5923 -12.5923 -11.6560 -11.6545 -10.4106 -10.4012 -9.6986 -9.6855 -9.4375 -9.4150 -3.9452 -3.9405 -3.5798 -3.5771 -1.9615 -1.9580 -1.0214 -0.9811 -0.9811 -0.9405 -0.7822 -0.7433 0.3288 0.3480 0.9715 0.9843 1.4871 1.4941 1.7585 1.7599 2.1190 2.1259 2.1557 2.1581 2.8151 2.8213 3.3064 3.3081 3.7128 3.7195 3.9367 3.9395 4.0336 4.0356 4.1716 4.1719 9.1204 9.1349 9.2910 9.3004 9.7389 9.7429 10.5015 10.5133 11.2456 11.2520 k =-0.3449 0.5597 0.2248 ( 4933 PWs) bands (ev): -12.7641 -12.7631 -12.5936 -12.5936 -11.6299 -11.6286 -10.3983 -10.3892 -9.7522 -9.7397 -9.4617 -9.4402 -3.8768 -3.8711 -3.5800 -3.5779 -2.0355 -2.0306 -1.0400 -1.0249 -0.9187 -0.8603 -0.7543 -0.7104 0.3782 0.3948 0.9847 0.9966 1.4710 1.4793 1.7497 1.7506 2.1004 2.1050 2.1355 2.1356 2.8371 2.8436 3.3042 3.3060 3.7247 3.7308 3.9269 3.9292 4.0314 4.0330 4.1549 4.1554 9.0824 9.0956 9.3009 9.3118 9.7035 9.7076 10.5113 10.5232 11.2430 11.2492 k =-0.3449 0.5597 0.2421 ( 4923 PWs) bands (ev): -12.7585 -12.7576 -12.5951 -12.5950 -11.6019 -11.6006 -10.3850 -10.3763 -9.8080 -9.7962 -9.4872 -9.4667 -3.8053 -3.7987 -3.5783 -3.5767 -2.1097 -2.1036 -1.0878 -1.0786 -0.8362 -0.7766 -0.7131 -0.6670 0.4250 0.4391 0.9985 1.0095 1.4538 1.4633 1.7380 1.7383 2.0832 2.0835 2.1134 2.1134 2.8594 2.8660 3.3026 3.3043 3.7357 3.7413 3.9168 3.9186 4.0280 4.0292 4.1375 4.1382 9.0459 9.0574 9.3160 9.3282 9.6718 9.6760 10.5212 10.5333 11.2253 11.2322 k =-0.3449 0.5597 0.2593 ( 4919 PWs) bands (ev): -12.7527 -12.7518 -12.5967 -12.5967 -11.5718 -11.5708 -10.3706 -10.3623 -9.8657 -9.8545 -9.5139 -9.4945 -3.7312 -3.7235 -3.5745 -3.5734 -2.1836 -2.1766 -1.1443 -1.1384 -0.7499 -0.6900 -0.6633 -0.6167 0.4689 0.4805 1.0127 1.0227 1.4355 1.4459 1.7235 1.7235 2.0571 2.0658 2.0910 2.0944 2.8821 2.8887 3.3016 3.3032 3.7457 3.7508 3.9066 3.9078 4.0233 4.0240 4.1195 4.1204 9.0118 9.0216 9.3364 9.3499 9.6434 9.6477 10.5311 10.5432 11.1938 11.2024 k =-0.3449 0.5597 0.2766 ( 4921 PWs) bands (ev): -12.7468 -12.7458 -12.5985 -12.5984 -11.5398 -11.5389 -10.3552 -10.3473 -9.9250 -9.9144 -9.5417 -9.5234 -3.6547 -3.6460 -3.5684 -3.5677 -2.2571 -2.2492 -1.2060 -1.2026 -0.6619 -0.6068 -0.6013 -0.5612 0.5097 0.5189 1.0270 1.0359 1.4160 1.4271 1.7065 1.7069 2.0257 2.0424 2.0728 2.0791 2.9051 2.9117 3.3012 3.3027 3.7546 3.7593 3.8963 3.8970 4.0173 4.0175 4.1010 4.1022 8.9810 8.9889 9.3622 9.3770 9.6176 9.6221 10.5404 10.5525 11.1516 11.1623 k =-0.3449 0.5597 0.2939 ( 4923 PWs) bands (ev): -12.7406 -12.7396 -12.6006 -12.6004 -11.5059 -11.5051 -10.3387 -10.3313 -9.9855 -9.9755 -9.5705 -9.5532 -3.5776 -3.5667 -3.5598 -3.5583 -2.3297 -2.3211 -1.2715 -1.2701 -0.5752 -0.5424 -0.5111 -0.5014 0.5470 0.5540 1.0409 1.0488 1.3955 1.4071 1.6881 1.6888 1.9902 2.0123 2.0591 2.0655 2.9287 2.9353 3.3013 3.3027 3.7623 3.7667 3.8864 3.8865 4.0095 4.0099 4.0823 4.0837 8.9544 8.9603 9.3935 9.4092 9.5940 9.5987 10.5486 10.5607 11.1024 11.1148 k =-0.3449 0.5597 0.3112 ( 4925 PWs) bands (ev): -12.7343 -12.7333 -12.6028 -12.6026 -11.4701 -11.4695 -10.3212 -10.3142 -10.0471 -10.0377 -9.6000 -9.5839 -3.5505 -3.5490 -3.4947 -3.4853 -2.4012 -2.3922 -1.3404 -1.3400 -0.4970 -0.4644 -0.4378 -0.4199 0.5809 0.5856 1.0537 1.0605 1.3745 1.3862 1.6692 1.6700 1.9518 1.9777 2.0468 2.0521 2.9529 2.9593 3.3021 3.3032 3.7688 3.7729 3.8765 3.8769 4.0001 4.0012 4.0634 4.0650 8.9327 8.9366 9.4300 9.4467 9.5720 9.5769 10.5551 10.5672 11.0489 11.0627 k =-0.3449 0.5597 0.3285 ( 4915 PWs) bands (ev): -12.7278 -12.7269 -12.6052 -12.6050 -11.4323 -11.4319 -10.3026 -10.2962 -10.1095 -10.1007 -9.6303 -9.6152 -3.5373 -3.5355 -3.4131 -3.4026 -2.4716 -2.4621 -1.4130 -1.4110 -0.4254 -0.3756 -0.3707 -0.3283 0.6110 0.6136 1.0644 1.0700 1.3536 1.3649 1.6505 1.6515 1.9112 1.9401 2.0338 2.0376 2.9776 2.9839 3.3033 3.3041 3.7741 3.7780 3.8671 3.8681 3.9895 3.9913 4.0445 4.0463 8.9164 8.9183 9.4713 9.4890 9.5509 9.5560 10.5592 10.5713 10.9938 11.0083 k =-0.3449 0.5597 0.3458 ( 4913 PWs) bands (ev): -12.7213 -12.7204 -12.6078 -12.6076 -11.3927 -11.3926 -10.2830 -10.2771 -10.1724 -10.1642 -9.6611 -9.6472 -3.5217 -3.5193 -3.3301 -3.3188 -2.5405 -2.5307 -1.4876 -1.4841 -0.3534 -0.3006 -0.2842 -0.2371 0.6371 0.6376 1.0712 1.0756 1.3342 1.3446 1.6328 1.6341 1.8691 1.9003 2.0192 2.0211 3.0028 3.0089 3.3048 3.3052 3.7784 3.7821 3.8587 3.8602 3.9776 3.9802 4.0257 4.0277 8.9058 8.9060 9.5140 9.5333 9.5333 9.5380 10.5600 10.5721 10.9390 10.9538 k =-0.3449 0.5597 0.3631 ( 4908 PWs) bands (ev): -12.7148 -12.7139 -12.6107 -12.6104 -11.3514 -11.3513 -10.2625 -10.2573 -10.2354 -10.2278 -9.6924 -9.6795 -3.5035 -3.5005 -3.2460 -3.2341 -2.6080 -2.5980 -1.5638 -1.5590 -0.2792 -0.2277 -0.1926 -0.1468 0.6575 0.6590 1.0715 1.0747 1.3184 1.3274 1.6170 1.6187 1.8264 1.8591 2.0020 2.0021 3.0283 3.0343 3.3063 3.3063 3.7817 3.7854 3.8513 3.8533 3.9647 3.9682 4.0071 4.0093 8.8996 8.9018 9.5054 9.5137 9.5707 9.5875 10.5567 10.5688 10.8865 10.9011 k =-0.3449 0.5597 0.3804 ( 4906 PWs) bands (ev): -12.7082 -12.7073 -12.6138 -12.6135 -11.3084 -11.3082 -10.2993 -10.2923 -10.2402 -10.2356 -9.7239 -9.7122 -3.4827 -3.4791 -3.1611 -3.1486 -2.6738 -2.6636 -1.6416 -1.6355 -0.2027 -0.1523 -0.1022 -0.0581 0.6728 0.6763 1.0624 1.0642 1.3088 1.3157 1.6039 1.6060 1.7837 1.8171 1.9801 1.9820 3.0541 3.0600 3.3073 3.3078 3.7842 3.7880 3.8453 3.8476 3.9510 3.9554 3.9889 3.9912 8.8997 8.9038 9.4822 9.4909 9.6250 9.6426 10.5485 10.5607 10.8380 10.8518 k =-0.3449 0.5597 0.3977 ( 4912 PWs) bands (ev): -12.7017 -12.7007 -12.6172 -12.6168 -11.2637 -11.2632 -10.3626 -10.3561 -10.2176 -10.2136 -9.7557 -9.7451 -3.4592 -3.4549 -3.0756 -3.0627 -2.7378 -2.7276 -1.7207 -1.7135 -0.1241 -0.0748 -0.0136 0.0284 0.6831 0.6885 1.0418 1.0418 1.3073 1.3118 1.5942 1.5969 1.7415 1.7749 1.9550 1.9587 3.0799 3.0857 3.3077 3.3088 3.7862 3.7903 3.8406 3.8432 3.9367 3.9419 3.9712 3.9737 8.9061 8.9122 9.4564 9.4659 9.6833 9.7010 10.5345 10.5469 10.7950 10.8076 k =-0.3449 0.5597 0.4150 ( 4911 PWs) bands (ev): -12.6951 -12.6942 -12.6208 -12.6203 -11.2173 -11.2166 -10.4257 -10.4197 -10.1939 -10.1905 -9.7875 -9.7780 -3.4330 -3.4281 -2.9897 -2.9764 -2.8000 -2.7897 -1.8010 -1.7927 -0.0436 0.0044 0.0723 0.1119 0.6881 0.6954 1.0072 1.0094 1.3139 1.3157 1.5886 1.5920 1.7005 1.7330 1.9269 1.9324 3.1055 3.1112 3.3072 3.3089 3.7882 3.7927 3.8374 3.8403 3.9220 3.9280 3.9542 3.9567 8.9189 8.9267 9.4276 9.4382 9.7446 9.7623 10.5142 10.5268 10.7588 10.7698 k =-0.3449 0.5597 0.4322 ( 4906 PWs) bands (ev): -12.6887 -12.6878 -12.6246 -12.6242 -11.1693 -11.1683 -10.4885 -10.4830 -10.1691 -10.1665 -9.8193 -9.8109 -3.4042 -3.3986 -2.9037 -2.8900 -2.8599 -2.8498 -1.8823 -1.8731 0.0383 0.0850 0.1549 0.1919 0.6871 0.6964 0.9616 0.9666 1.3262 1.3269 1.5875 1.5919 1.6612 1.6920 1.8961 1.9031 3.1305 3.1362 3.3055 3.3079 3.7904 3.7954 3.8358 3.8390 3.9072 3.9139 3.9378 3.9405 8.9377 8.9471 9.3955 9.4072 9.8083 9.8257 10.4874 10.5002 10.7303 10.7397 k =-0.3449 0.5597 0.4495 ( 4911 PWs) bands (ev): -12.6824 -12.6815 -12.6287 -12.6282 -11.1197 -11.1184 -10.5508 -10.5457 -10.1434 -10.1415 -9.8510 -9.8437 -3.3726 -3.3665 -2.9186 -2.9084 -2.8168 -2.8031 -1.9646 -1.9544 0.1214 0.1666 0.2334 0.2676 0.6798 0.6911 0.9070 0.9152 1.3416 1.3449 1.5908 1.5970 1.6245 1.6523 1.8632 1.8714 3.1547 3.1604 3.3023 3.3053 3.7933 3.7989 3.8358 3.8392 3.8925 3.8997 3.9223 3.9251 8.9621 8.9730 9.3600 9.3727 9.8737 9.8908 10.4540 10.4669 10.7102 10.7181 k =-0.3449 0.5597 0.4668 ( 4907 PWs) bands (ev): -12.6761 -12.6753 -12.6331 -12.6325 -11.0686 -11.0669 -10.6124 -10.6077 -10.1167 -10.1157 -9.8825 -9.8762 -3.3385 -3.3317 -2.9745 -2.9646 -2.7304 -2.7166 -2.0476 -2.0367 0.2050 0.2487 0.3073 0.3385 0.6657 0.6791 0.8452 0.8568 1.3606 1.3664 1.5829 1.6047 1.6061 1.6170 1.8287 1.8378 3.1779 3.1835 3.2972 3.3008 3.7971 3.8034 3.8374 3.8411 3.8781 3.8857 3.9078 3.9107 8.9918 9.0040 9.3214 9.3350 9.9401 9.9568 10.4141 10.4272 10.6990 10.7054 k =-0.3449 0.5597 0.4841 ( 4908 PWs) bands (ev): -12.6701 -12.6693 -12.6377 -12.6371 -11.0159 -11.0140 -10.6732 -10.6690 -10.0892 -10.0889 -9.9136 -9.9083 -3.3017 -3.2944 -3.0283 -3.0186 -2.6440 -2.6302 -2.1314 -2.1197 0.2885 0.3307 0.3759 0.4040 0.6445 0.6603 0.7779 0.7925 1.3823 1.3907 1.5510 1.5758 1.6189 1.6252 1.7934 1.8030 3.1996 3.2053 3.2899 3.2941 3.8023 3.8092 3.8405 3.8445 3.8644 3.8721 3.8944 3.8973 9.0260 9.0393 9.2801 9.2944 10.0069 10.0230 10.3682 10.3815 10.6966 10.7017 k =-0.3449 0.5597 0.5014 ( 4912 PWs) bands (ev): -12.6642 -12.6634 -12.6425 -12.6419 -10.9619 -10.9596 -10.7331 -10.7293 -10.0614 -10.0608 -9.9443 -9.9400 -3.2623 -3.2545 -3.0799 -3.0705 -2.5577 -2.5441 -2.2157 -2.2035 0.3708 0.4119 0.4390 0.4638 0.6159 0.6344 0.7066 0.7235 1.4062 1.4172 1.5190 1.5409 1.6388 1.6463 1.7583 1.7681 3.2198 3.2255 3.2804 3.2851 3.8089 3.8165 3.8437 3.8494 3.8530 3.8592 3.8821 3.8851 9.0641 9.0782 9.2368 9.2516 10.0732 10.0887 10.3169 10.3304 10.7028 10.7069 k =-0.3449 0.5597 0.5187 ( 4914 PWs) bands (ev): -12.6584 -12.6577 -12.6476 -12.6469 -10.9065 -10.9039 -10.7920 -10.7887 -10.0331 -10.0317 -9.9745 -9.9712 -3.2204 -3.2121 -3.1291 -3.1201 -2.4717 -2.4582 -2.3006 -2.2879 0.4494 0.4910 0.4958 0.5181 0.5802 0.6013 0.6342 0.6510 1.4319 1.4456 1.4884 1.5075 1.6636 1.6720 1.7243 1.7339 3.2382 3.2437 3.2686 3.2737 3.8170 3.8251 3.8370 3.8462 3.8540 3.8567 3.8711 3.8742 9.1052 9.1199 9.1926 9.2076 10.1382 10.1531 10.2609 10.2748 10.7172 10.7203 k =-0.3449 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.6529 -12.6529 -12.6522 -12.6522 -10.8499 -10.8499 -10.8469 -10.8469 -10.0041 -10.0041 -10.0018 -10.0018 -3.1760 -3.1760 -3.1673 -3.1673 -2.3860 -2.3860 -2.3728 -2.3728 0.5133 0.5133 0.5558 0.5558 0.5711 0.5711 0.5795 0.5795 1.4593 1.4593 1.4757 1.4757 1.6924 1.6924 1.7016 1.7016 3.2545 3.2545 3.2598 3.2598 3.8265 3.8265 3.8351 3.8351 3.8617 3.8617 3.8646 3.8646 9.1483 9.1483 9.1633 9.1633 10.2010 10.2010 10.2154 10.2154 10.7392 10.7392 k =-0.3449 0.5597 0.5360 ( 4916 PWs) bands (ev): -12.6529 -12.6529 -12.6522 -12.6522 -10.8499 -10.8499 -10.8469 -10.8469 -10.0041 -10.0041 -10.0018 -10.0018 -3.1760 -3.1760 -3.1673 -3.1673 -2.3860 -2.3860 -2.3728 -2.3728 0.5133 0.5133 0.5558 0.5558 0.5711 0.5711 0.5795 0.5795 1.4593 1.4593 1.4757 1.4757 1.6924 1.6924 1.7016 1.7016 3.2545 3.2545 3.2598 3.2598 3.8265 3.8265 3.8351 3.8351 3.8617 3.8617 3.8646 3.8646 9.1483 9.1483 9.1633 9.1633 10.2010 10.2010 10.2154 10.2154 10.7392 10.7392 k =-0.3536 0.5458 0.5360 ( 4920 PWs) bands (ev): -12.6484 -12.6484 -12.6477 -12.6477 -10.8755 -10.8755 -10.8726 -10.8726 -9.9786 -9.9786 -9.9763 -9.9763 -3.2339 -3.2339 -3.2259 -3.2259 -2.3313 -2.3313 -2.3181 -2.3181 0.5199 0.5199 0.5615 0.5615 0.5784 0.5784 0.5865 0.5865 1.4518 1.4518 1.4667 1.4667 1.6976 1.6976 1.7067 1.7067 3.2448 3.2448 3.2501 3.2501 3.8126 3.8126 3.8204 3.8204 3.8761 3.8761 3.8795 3.8795 9.1380 9.1380 9.1530 9.1530 10.2095 10.2095 10.2228 10.2228 10.7473 10.7473 k =-0.3622 0.5318 0.5360 ( 4908 PWs) bands (ev): -12.6442 -12.6442 -12.6435 -12.6435 -10.8998 -10.8998 -10.8971 -10.8971 -9.9535 -9.9535 -9.9513 -9.9513 -3.2900 -3.2900 -3.2827 -3.2827 -2.2789 -2.2789 -2.2657 -2.2657 0.5266 0.5266 0.5668 0.5668 0.5859 0.5859 0.5940 0.5940 1.4423 1.4423 1.4557 1.4557 1.7044 1.7044 1.7134 1.7134 3.2343 3.2343 3.2396 3.2396 3.7986 3.7986 3.8061 3.8061 3.8917 3.8917 3.8952 3.8952 9.1263 9.1263 9.1410 9.1410 10.2188 10.2188 10.2311 10.2311 10.7592 10.7592 k =-0.3708 0.5178 0.5360 ( 4908 PWs) bands (ev): -12.6402 -12.6402 -12.6396 -12.6396 -10.9228 -10.9228 -10.9202 -10.9202 -9.9291 -9.9291 -9.9269 -9.9269 -3.3441 -3.3441 -3.3375 -3.3375 -2.2289 -2.2289 -2.2158 -2.2158 0.5334 0.5334 0.5717 0.5717 0.5937 0.5937 0.6024 0.6024 1.4309 1.4309 1.4426 1.4426 1.7127 1.7127 1.7214 1.7214 3.2233 3.2233 3.2286 3.2286 3.7850 3.7850 3.7921 3.7921 3.9081 3.9081 3.9115 3.9115 9.1134 9.1134 9.1278 9.1278 10.2294 10.2294 10.2406 10.2406 10.7745 10.7746 k =-0.3794 0.5038 0.5360 ( 4904 PWs) bands (ev): -12.6364 -12.6364 -12.6359 -12.6359 -10.9445 -10.9445 -10.9421 -10.9421 -9.9054 -9.9054 -9.9033 -9.9033 -3.3960 -3.3960 -3.3900 -3.3900 -2.1813 -2.1813 -2.1684 -2.1684 0.5402 0.5402 0.5760 0.5760 0.6020 0.6020 0.6116 0.6116 1.4176 1.4176 1.4277 1.4277 1.7221 1.7221 1.7307 1.7307 3.2118 3.2118 3.2170 3.2170 3.7720 3.7720 3.7788 3.7788 3.9248 3.9248 3.9281 3.9281 9.0996 9.0996 9.1136 9.1136 10.2412 10.2412 10.2514 10.2514 10.7923 10.7923 k =-0.3880 0.4898 0.5360 ( 4892 PWs) bands (ev): -12.6329 -12.6329 -12.6324 -12.6324 -10.9647 -10.9647 -10.9625 -10.9625 -9.8826 -9.8826 -9.8806 -9.8806 -3.4455 -3.4455 -3.4400 -3.4400 -2.1364 -2.1364 -2.1238 -2.1238 0.5469 0.5469 0.5797 0.5797 0.6110 0.6110 0.6220 0.6220 1.4027 1.4027 1.4111 1.4111 1.7324 1.7324 1.7408 1.7408 3.2001 3.2001 3.2051 3.2051 3.7595 3.7595 3.7660 3.7660 3.9417 3.9417 3.9448 3.9448 9.0853 9.0853 9.0986 9.0986 10.2545 10.2545 10.2637 10.2637 10.8123 10.8123 k =-0.3966 0.4759 0.5360 ( 4902 PWs) bands (ev): -12.6297 -12.6297 -12.6292 -12.6292 -10.9836 -10.9836 -10.9815 -10.9815 -9.8608 -9.8608 -9.8589 -9.8589 -3.4923 -3.4923 -3.4873 -3.4873 -2.0942 -2.0942 -2.0820 -2.0820 0.5533 0.5533 0.5828 0.5828 0.6210 0.6210 0.6333 0.6333 1.3862 1.3862 1.3930 1.3930 1.7435 1.7435 1.7515 1.7515 3.1882 3.1882 3.1930 3.1930 3.7478 3.7478 3.7539 3.7539 3.9584 3.9584 3.9613 3.9613 9.0706 9.0706 9.0833 9.0833 10.2692 10.2692 10.2774 10.2774 10.8340 10.8340 k =-0.4052 0.4619 0.5360 ( 4902 PWs) bands (ev): -12.6268 -12.6268 -12.6263 -12.6263 -11.0010 -11.0010 -10.9991 -10.9991 -9.8402 -9.8402 -9.8384 -9.8384 -3.5362 -3.5362 -3.5318 -3.5318 -2.0549 -2.0549 -2.0432 -2.0432 0.5593 0.5593 0.5855 0.5855 0.6320 0.6320 0.6457 0.6457 1.3684 1.3684 1.3737 1.3737 1.7550 1.7550 1.7626 1.7626 3.1763 3.1763 3.1809 3.1809 3.7368 3.7368 3.7425 3.7425 3.9747 3.9747 3.9774 3.9774 9.0559 9.0559 9.0679 9.0679 10.2853 10.2853 10.2925 10.2925 10.8570 10.8570 k =-0.4139 0.4479 0.5360 ( 4902 PWs) bands (ev): -12.6241 -12.6241 -12.6236 -12.6236 -11.0170 -11.0170 -11.0152 -11.0152 -9.8208 -9.8208 -9.8191 -9.8191 -3.5770 -3.5770 -3.5731 -3.5731 -2.0186 -2.0186 -2.0075 -2.0075 0.5648 0.5648 0.5877 0.5877 0.6441 0.6441 0.6588 0.6588 1.3495 1.3495 1.3534 1.3534 1.7666 1.7666 1.7738 1.7738 3.1647 3.1647 3.1691 3.1691 3.7266 3.7266 3.7319 3.7319 3.9904 3.9904 3.9929 3.9929 9.0416 9.0416 9.0527 9.0527 10.3026 10.3026 10.3088 10.3088 10.8806 10.8806 k =-0.4225 0.4339 0.5360 ( 4906 PWs) bands (ev): -12.6216 -12.6216 -12.6212 -12.6212 -11.0315 -11.0315 -11.0299 -11.0299 -9.8028 -9.8028 -9.8013 -9.8013 -3.6146 -3.6146 -3.6111 -3.6111 -1.9854 -1.9854 -1.9750 -1.9750 0.5697 0.5697 0.5894 0.5894 0.6573 0.6573 0.6727 0.6727 1.3300 1.3300 1.3324 1.3324 1.7782 1.7782 1.7848 1.7848 3.1535 3.1535 3.1576 3.1576 3.7172 3.7172 3.7222 3.7222 4.0053 4.0053 4.0076 4.0076 9.0279 9.0279 9.0381 9.0381 10.3208 10.3208 10.3261 10.3261 10.9042 10.9042 k =-0.4311 0.4200 0.5360 ( 4908 PWs) bands (ev): -12.6194 -12.6194 -12.6191 -12.6191 -11.0445 -11.0445 -11.0431 -11.0431 -9.7863 -9.7863 -9.7849 -9.7849 -3.6487 -3.6487 -3.6457 -3.6457 -1.9553 -1.9553 -1.9458 -1.9458 0.5739 0.5739 0.5908 0.5908 0.6713 0.6713 0.6869 0.6869 1.3100 1.3100 1.3113 1.3113 1.7894 1.7894 1.7955 1.7955 3.1429 3.1429 3.1466 3.1466 3.7087 3.7087 3.7132 3.7132 4.0191 4.0191 4.0212 4.0212 9.0150 9.0150 9.0242 9.0242 10.3396 10.3396 10.3439 10.3439 10.9273 10.9273 k =-0.4397 0.4060 0.5360 ( 4920 PWs) bands (ev): -12.6175 -12.6175 -12.6172 -12.6172 -11.0560 -11.0560 -11.0548 -11.0548 -9.7715 -9.7715 -9.7702 -9.7702 -3.6792 -3.6792 -3.6767 -3.6767 -1.9285 -1.9285 -1.9199 -1.9199 0.5776 0.5776 0.5919 0.5919 0.6860 0.6860 0.7013 0.7013 1.2902 1.2902 1.2903 1.2903 1.8000 1.8000 1.8055 1.8055 3.1330 3.1330 3.1364 3.1364 3.7012 3.7012 3.7052 3.7052 4.0318 4.0318 4.0336 4.0336 9.0032 9.0032 9.0113 9.0113 10.3583 10.3583 10.3619 10.3619 10.9492 10.9492 k =-0.4483 0.3920 0.5360 ( 4916 PWs) bands (ev): -12.6158 -12.6158 -12.6156 -12.6156 -11.0660 -11.0660 -11.0649 -11.0649 -9.7584 -9.7584 -9.7573 -9.7573 -3.7060 -3.7060 -3.7038 -3.7038 -1.9050 -1.9050 -1.8975 -1.8975 0.5808 0.5808 0.5927 0.5927 0.7008 0.7008 0.7153 0.7153 1.2701 1.2701 1.2708 1.2708 1.8098 1.8098 1.8146 1.8146 3.1241 3.1241 3.1270 3.1270 3.6947 3.6947 3.6982 3.6982 4.0431 4.0431 4.0447 4.0447 8.9926 8.9926 8.9997 8.9997 10.3766 10.3766 10.3795 10.3795 10.9695 10.9695 k =-0.4569 0.3780 0.5360 ( 4918 PWs) bands (ev): -12.6144 -12.6144 -12.6142 -12.6142 -11.0744 -11.0744 -11.0735 -11.0735 -9.7471 -9.7471 -9.7462 -9.7462 -3.7288 -3.7288 -3.7271 -3.7271 -1.8850 -1.8850 -1.8785 -1.8785 0.5836 0.5836 0.5933 0.5933 0.7153 0.7153 0.7285 0.7285 1.2513 1.2513 1.2526 1.2526 1.8186 1.8186 1.8226 1.8226 3.1163 3.1163 3.1188 3.1188 3.6891 3.6891 3.6921 3.6921 4.0529 4.0529 4.0542 4.0542 8.9835 8.9835 8.9894 8.9894 10.3938 10.3938 10.3960 10.3960 10.9875 10.9876 k =-0.4655 0.3640 0.5360 ( 4924 PWs) bands (ev): -12.6133 -12.6133 -12.6131 -12.6131 -11.0814 -11.0814 -11.0806 -11.0806 -9.7377 -9.7377 -9.7370 -9.7370 -3.7477 -3.7477 -3.7463 -3.7463 -1.8683 -1.8683 -1.8631 -1.8631 0.5859 0.5859 0.5935 0.5935 0.7289 0.7289 0.7403 0.7403 1.2344 1.2344 1.2361 1.2361 1.8261 1.8261 1.8294 1.8294 3.1097 3.1097 3.1118 3.1118 3.6846 3.6846 3.6870 3.6870 4.0611 4.0611 4.0622 4.0622 8.9759 8.9759 8.9807 8.9807 10.4091 10.4091 10.4107 10.4107 11.0030 11.0031 k =-0.4742 0.3501 0.5360 ( 4924 PWs) bands (ev): -12.6123 -12.6123 -12.6122 -12.6122 -11.0867 -11.0867 -11.0862 -11.0862 -9.7303 -9.7303 -9.7298 -9.7298 -3.7624 -3.7624 -3.7614 -3.7614 -1.8552 -1.8552 -1.8512 -1.8512 0.5879 0.5879 0.5935 0.5935 0.7410 0.7410 0.7501 0.7501 1.2204 1.2204 1.2221 1.2221 1.8323 1.8323 1.8348 1.8348 3.1045 3.1045 3.1061 3.1061 3.6811 3.6811 3.6829 3.6829 4.0676 4.0676 4.0684 4.0684 8.9701 8.9701 8.9737 8.9737 10.4219 10.4219 10.4231 10.4231 11.0155 11.0156 k =-0.4828 0.3361 0.5360 ( 4936 PWs) bands (ev): -12.6117 -12.6117 -12.6116 -12.6116 -11.0905 -11.0905 -11.0902 -11.0902 -9.7250 -9.7250 -9.7246 -9.7246 -3.7729 -3.7729 -3.7722 -3.7722 -1.8456 -1.8456 -1.8429 -1.8429 0.5895 0.5895 0.5932 0.5932 0.7508 0.7508 0.7572 0.7572 1.2098 1.2098 1.2112 1.2112 1.8369 1.8369 1.8385 1.8385 3.1008 3.1008 3.1019 3.1019 3.6787 3.6787 3.6799 3.6799 4.0724 4.0724 4.0729 4.0729 8.9660 8.9660 8.9684 8.9684 10.4316 10.4316 10.4324 10.4324 11.0248 11.0248 k =-0.4914 0.3221 0.5360 ( 4936 PWs) bands (ev): -12.6113 -12.6113 -12.6113 -12.6113 -11.0928 -11.0928 -11.0926 -11.0926 -9.7217 -9.7217 -9.7215 -9.7215 -3.7792 -3.7792 -3.7789 -3.7789 -1.8395 -1.8395 -1.8382 -1.8382 0.5909 0.5909 0.5927 0.5927 0.7577 0.7577 0.7610 0.7610 1.2034 1.2034 1.2041 1.2041 1.8398 1.8398 1.8407 1.8407 3.0987 3.0987 3.0992 3.0992 3.6774 3.6774 3.6780 3.6780 4.0753 4.0753 4.0756 4.0756 8.9638 8.9638 8.9650 8.9650 10.4377 10.4377 10.4381 10.4381 11.0304 11.0305 k =-0.5000 0.3081 0.5360 ( 4928 PWs) bands (ev): -12.6111 -12.6111 -12.6111 -12.6111 -11.0935 -11.0935 -11.0935 -11.0935 -9.7206 -9.7206 -9.7206 -9.7206 -3.7812 -3.7812 -3.7812 -3.7812 -1.8371 -1.8371 -1.8371 -1.8371 0.5919 0.5919 0.5919 0.5919 0.7612 0.7612 0.7612 0.7612 1.2015 1.2015 1.2015 1.2015 1.8411 1.8411 1.8411 1.8411 3.0981 3.0981 3.0981 3.0981 3.6772 3.6772 3.6772 3.6772 4.0764 4.0764 4.0764 4.0764 8.9635 8.9635 8.9635 8.9635 10.4399 10.4399 10.4399 10.4399 11.0324 11.0324 k =-0.5000 0.3081 0.5360 ( 4928 PWs) bands (ev): -12.6111 -12.6111 -12.6111 -12.6111 -11.0935 -11.0935 -11.0935 -11.0935 -9.7206 -9.7206 -9.7206 -9.7206 -3.7812 -3.7812 -3.7812 -3.7812 -1.8371 -1.8371 -1.8371 -1.8371 0.5919 0.5919 0.5919 0.5919 0.7612 0.7612 0.7612 0.7612 1.2015 1.2015 1.2015 1.2015 1.8411 1.8411 1.8411 1.8411 3.0981 3.0981 3.0981 3.0981 3.6772 3.6772 3.6772 3.6772 4.0764 4.0764 4.0764 4.0764 8.9635 8.9635 8.9635 8.9635 10.4399 10.4399 10.4399 10.4399 11.0324 11.0324 k =-0.5000 0.3081 0.5187 ( 4924 PWs) bands (ev): -12.6148 -12.6148 -12.6076 -12.6076 -11.1529 -11.1529 -11.0327 -11.0327 -9.7286 -9.7286 -9.7125 -9.7125 -3.7877 -3.7877 -3.7712 -3.7712 -1.9477 -1.9477 -1.7283 -1.7283 0.5791 0.5791 0.5982 0.5982 0.7098 0.7098 0.8143 0.8143 1.1483 1.1483 1.2556 1.2556 1.8366 1.8366 1.8438 1.8438 3.0844 3.0844 3.1102 3.1102 3.6697 3.6697 3.6868 3.6868 4.0682 4.0682 4.0858 4.0858 8.9616 8.9616 8.9722 8.9722 10.4066 10.4066 10.4656 10.4656 10.9896 10.9896 k =-0.5000 0.3081 0.5014 ( 4932 PWs) bands (ev): -12.6187 -12.6187 -12.6042 -12.6042 -11.2110 -11.2110 -10.9706 -10.9706 -9.7367 -9.7367 -9.7046 -9.7046 -3.7907 -3.7907 -3.7578 -3.7578 -2.0600 -2.0600 -1.6216 -1.6216 0.5604 0.5604 0.5957 0.5957 0.6622 0.6622 0.8682 0.8682 1.0965 1.0965 1.3105 1.3105 1.8298 1.8298 1.8450 1.8450 3.0689 3.0689 3.1206 3.1206 3.6644 3.6644 3.6982 3.6982 4.0612 4.0612 4.0962 4.0962 8.9665 8.9665 8.9877 8.9877 10.3656 10.3656 10.4836 10.4836 10.9492 10.9492 k =-0.5000 0.3081 0.4841 ( 4940 PWs) bands (ev): -12.6226 -12.6226 -12.6009 -12.6009 -11.2676 -11.2676 -10.9074 -10.9074 -9.7449 -9.7449 -9.6967 -9.6967 -3.7903 -3.7903 -3.7410 -3.7410 -2.1735 -2.1735 -1.5172 -1.5172 0.5365 0.5365 0.5777 0.5777 0.6246 0.6246 0.9217 0.9217 1.0471 1.0471 1.3660 1.3660 1.8205 1.8205 1.8455 1.8455 3.0519 3.0519 3.1298 3.1298 3.6615 3.6615 3.7109 3.7109 4.0556 4.0556 4.1077 4.1077 8.9779 8.9779 9.0101 9.0101 10.3176 10.3176 10.4944 10.4944 10.9117 10.9117 k =-0.5000 0.3081 0.4668 ( 4940 PWs) bands (ev): -12.6266 -12.6266 -12.5979 -12.5979 -11.3227 -11.3227 -10.8432 -10.8432 -9.7530 -9.7530 -9.6890 -9.6890 -3.7865 -3.7865 -3.7208 -3.7208 -2.2881 -2.2881 -1.4154 -1.4154 0.5074 0.5074 0.5408 0.5408 0.6005 0.6005 0.9632 0.9632 1.0114 1.0114 1.4220 1.4220 1.8086 1.8086 1.8460 1.8460 3.0334 3.0334 3.1381 3.1381 3.6605 3.6605 3.7244 3.7244 4.0514 4.0514 4.1202 4.1202 8.9957 8.9957 9.0393 9.0393 10.2632 10.2632 10.4987 10.4987 10.8773 10.8773 k =-0.5000 0.3081 0.4495 ( 4934 PWs) bands (ev): -12.6308 -12.6308 -12.5949 -12.5949 -11.3761 -11.3761 -10.7780 -10.7780 -9.7610 -9.7610 -9.6814 -9.6814 -3.7792 -3.7792 -3.6973 -3.6973 -2.4035 -2.4035 -1.3164 -1.3164 0.4733 0.4733 0.4969 0.4969 0.5778 0.5778 0.9372 0.9372 1.0449 1.0449 1.4783 1.4783 1.7944 1.7944 1.8472 1.8472 3.0139 3.0139 3.1456 3.1456 3.6613 3.6613 3.7380 3.7380 4.0487 4.0487 4.1334 4.1334 9.0193 9.0193 9.0749 9.0749 10.2031 10.2031 10.4972 10.4972 10.8464 10.8464 k =-0.5000 0.3081 0.4322 ( 4936 PWs) bands (ev): -12.6350 -12.6350 -12.5922 -12.5922 -11.4279 -11.4279 -10.7120 -10.7120 -9.7690 -9.7690 -9.6740 -9.6740 -3.7686 -3.7686 -3.6706 -3.6706 -2.5194 -2.5194 -1.2203 -1.2203 0.4344 0.4344 0.4525 0.4525 0.5499 0.5499 0.8920 0.8920 1.0991 1.0991 1.5347 1.5347 1.7778 1.7778 1.8499 1.8499 2.9938 2.9938 3.1528 3.1528 3.6634 3.6634 3.7512 3.7512 4.0474 4.0474 4.1474 4.1474 9.0484 9.0484 9.1166 9.1166 10.1384 10.1384 10.4909 10.4909 10.8192 10.8192 k =-0.5000 0.3081 0.4150 ( 4940 PWs) bands (ev): -12.6392 -12.6392 -12.5896 -12.5896 -11.4780 -11.4780 -10.6454 -10.6454 -9.7769 -9.7769 -9.6667 -9.6667 -3.7546 -3.7546 -3.6406 -3.6406 -2.6354 -2.6354 -1.1273 -1.1273 0.3915 0.3915 0.4084 0.4084 0.5154 0.5154 0.8463 0.8463 1.1553 1.1553 1.5910 1.5910 1.7594 1.7594 1.8546 1.8546 2.9734 2.9734 3.1599 3.1599 3.6664 3.6664 3.7634 3.7634 4.0476 4.0476 4.1619 4.1619 9.0825 9.0825 9.1642 9.1642 10.0698 10.0698 10.4804 10.4804 10.7959 10.7959 k =-0.5000 0.3081 0.3977 ( 4952 PWs) bands (ev): -12.6435 -12.6435 -12.5872 -12.5872 -11.5263 -11.5263 -10.5782 -10.5782 -9.7846 -9.7846 -9.6597 -9.6597 -3.7373 -3.7373 -3.6075 -3.6075 -2.7512 -2.7512 -1.0376 -1.0376 0.3455 0.3455 0.3641 0.3641 0.4739 0.4739 0.8015 0.8015 1.2117 1.2117 1.6466 1.6466 1.7401 1.7401 1.8619 1.8619 2.9532 2.9532 3.1671 3.1671 3.6698 3.6698 3.7740 3.7740 4.0492 4.0492 4.1770 4.1770 9.1210 9.1210 9.2172 9.2172 9.9983 9.9983 10.4668 10.4668 10.7770 10.7770 k =-0.5000 0.3081 0.3804 ( 4952 PWs) bands (ev): -12.6478 -12.6478 -12.5850 -12.5850 -11.5729 -11.5729 -10.5106 -10.5106 -9.7923 -9.7923 -9.6528 -9.6528 -3.7169 -3.7169 -3.5714 -3.5714 -2.8666 -2.8666 -0.9514 -0.9514 0.2962 0.2962 0.3202 0.3202 0.4257 0.4257 0.7581 0.7581 1.2680 1.2680 1.6949 1.6949 1.7263 1.7263 1.8719 1.8719 2.9333 2.9333 3.1745 3.1745 3.6734 3.6734 3.7827 3.7827 4.0524 4.0524 4.1924 4.1924 9.1633 9.1633 9.2751 9.2751 9.9246 9.9246 10.4506 10.4506 10.7627 10.7627 k =-0.5000 0.3081 0.3631 ( 4944 PWs) bands (ev): -12.6521 -12.6521 -12.5829 -12.5829 -11.6176 -11.6176 -10.4428 -10.4428 -9.7997 -9.7997 -9.6462 -9.6462 -3.6933 -3.6933 -3.5324 -3.5324 -2.9812 -2.9812 -0.8687 -0.8687 0.2428 0.2428 0.2776 0.2776 0.3713 0.3713 0.7162 0.7162 1.3238 1.3238 1.6904 1.6904 1.7642 1.7642 1.8849 1.8849 2.9141 2.9141 3.1822 3.1822 3.6767 3.6767 3.7891 3.7891 4.0570 4.0570 4.2081 4.2081 9.2086 9.2086 9.3373 9.3373 9.8495 9.8495 10.4326 10.4326 10.7534 10.7534 k =-0.5000 0.3081 0.3458 ( 4944 PWs) bands (ev): -12.6564 -12.6564 -12.5810 -12.5810 -11.6604 -11.6604 -10.3750 -10.3750 -9.8070 -9.8070 -9.6398 -9.6398 -3.6667 -3.6667 -3.4905 -3.4905 -3.0946 -3.0946 -0.7897 -0.7897 0.1852 0.1852 0.2359 0.2359 0.3118 0.3118 0.6759 0.6759 1.3788 1.3788 1.6692 1.6692 1.8178 1.8178 1.9008 1.9008 2.8958 2.8958 3.1902 3.1902 3.6796 3.6796 3.7931 3.7931 4.0629 4.0629 4.2240 4.2240 9.2563 9.2563 9.4033 9.4033 9.7738 9.7738 10.4132 10.4132 10.7494 10.7494 k =-0.5000 0.3081 0.3285 ( 4936 PWs) bands (ev): -12.6607 -12.6607 -12.5793 -12.5793 -11.7013 -11.7013 -10.3073 -10.3073 -9.8141 -9.8141 -9.6337 -9.6337 -3.6373 -3.6373 -3.4460 -3.4460 -3.2065 -3.2065 -0.7145 -0.7145 0.1237 0.1237 0.1937 0.1937 0.2496 0.2496 0.6372 0.6372 1.4328 1.4328 1.6469 1.6469 1.8716 1.8716 1.9196 1.9196 2.8786 2.8786 3.1986 3.1986 3.6819 3.6819 3.7943 3.7943 4.0702 4.0702 4.2399 4.2399 9.3054 9.3054 9.4725 9.4725 9.6980 9.6980 10.3929 10.3929 10.7509 10.7509 k =-0.5000 0.3081 0.3112 ( 4936 PWs) bands (ev): -12.6649 -12.6649 -12.5777 -12.5777 -11.7403 -11.7403 -10.2401 -10.2401 -9.8209 -9.8209 -9.6278 -9.6278 -3.6052 -3.6052 -3.3990 -3.3990 -3.3166 -3.3166 -0.6432 -0.6432 0.0585 0.0585 0.1450 0.1450 0.1913 0.1913 0.6004 0.6004 1.4853 1.4853 1.6251 1.6251 1.9236 1.9236 1.9419 1.9419 2.8624 2.8624 3.2073 3.2073 3.6835 3.6835 3.7927 3.7927 4.0786 4.0786 4.2557 4.2557 9.3552 9.3552 9.5441 9.5441 9.6228 9.6228 10.3722 10.3722 10.7585 10.7585 k =-0.5000 0.3081 0.2939 ( 4930 PWs) bands (ev): -12.6690 -12.6690 -12.5762 -12.5762 -11.7773 -11.7773 -10.1736 -10.1736 -9.8275 -9.8275 -9.6222 -9.6222 -3.5706 -3.5706 -3.4244 -3.4244 -3.3495 -3.3495 -0.5758 -0.5758 -0.0099 -0.0099 0.0818 0.0818 0.1456 0.1456 0.5653 0.5653 1.5355 1.5355 1.6047 1.6047 1.9615 1.9615 1.9795 1.9795 2.8474 2.8474 3.2164 3.2164 3.6843 3.6843 3.7883 3.7883 4.0881 4.0881 4.2714 4.2714 9.4049 9.4049 9.5486 9.5486 9.6176 9.6176 10.3513 10.3513 10.7722 10.7722 k =-0.5000 0.3081 0.2766 ( 4922 PWs) bands (ev): -12.6730 -12.6730 -12.5749 -12.5749 -11.8123 -11.8123 -10.1080 -10.1080 -9.8338 -9.8338 -9.6170 -9.6170 -3.5356 -3.5356 -3.5275 -3.5275 -3.2979 -3.2979 -0.5124 -0.5124 -0.0811 -0.0811 0.0084 0.0084 0.1091 0.1091 0.5321 0.5321 1.5704 1.5704 1.5989 1.5989 1.9879 1.9879 2.0292 2.0292 2.8335 2.8335 3.2259 3.2259 3.6843 3.6843 3.7810 3.7810 4.0985 4.0985 4.2869 4.2869 9.4527 9.4527 9.4770 9.4770 9.6923 9.6923 10.3307 10.3307 10.7924 10.7924 k =-0.5000 0.3081 0.2593 ( 4926 PWs) bands (ev): -12.6768 -12.6768 -12.5738 -12.5738 -11.8453 -11.8453 -10.0436 -10.0436 -9.8398 -9.8398 -9.6119 -9.6119 -3.6320 -3.6320 -3.4943 -3.4943 -3.2444 -3.2444 -0.4532 -0.4532 -0.1547 -0.1547 -0.0694 -0.0694 0.0769 0.0769 0.5009 0.5009 1.5586 1.5586 1.6390 1.6390 2.0151 2.0151 2.0781 2.0781 2.8209 2.8209 3.2356 3.2356 3.6835 3.6835 3.7710 3.7710 4.1096 4.1096 4.3019 4.3019 9.4049 9.4049 9.5014 9.5014 9.7674 9.7674 10.3104 10.3104 10.8191 10.8191 k =-0.5000 0.3081 0.2421 ( 4926 PWs) bands (ev): -12.6806 -12.6806 -12.5727 -12.5727 -11.8763 -11.8763 -9.9807 -9.9807 -9.8456 -9.8456 -9.6072 -9.6072 -3.7307 -3.7307 -3.4535 -3.4535 -3.1892 -3.1892 -0.3983 -0.3983 -0.2301 -0.2301 -0.1493 -0.1493 0.0474 0.0474 0.4716 0.4716 1.5410 1.5410 1.6841 1.6841 2.0432 2.0432 2.1254 2.1254 2.8094 2.8094 3.2456 3.2456 3.6820 3.6820 3.7583 3.7583 4.1214 4.1214 4.3165 4.3165 9.3369 9.3369 9.5461 9.5461 9.8424 9.8424 10.2907 10.2907 10.8524 10.8524 k =-0.5000 0.3081 0.2248 ( 4922 PWs) bands (ev): -12.6842 -12.6842 -12.5718 -12.5718 -11.9052 -11.9052 -9.9197 -9.9197 -9.8509 -9.8509 -9.6028 -9.6028 -3.8255 -3.8255 -3.4111 -3.4111 -3.1326 -3.1326 -0.3506 -0.3506 -0.3039 -0.3039 -0.2298 -0.2298 0.0203 0.0203 0.4443 0.4443 1.5241 1.5241 1.7277 1.7277 2.0723 2.0723 2.1707 2.1707 2.7990 2.7990 3.2560 3.2560 3.6799 3.6799 3.7432 3.7432 4.1335 4.1335 4.3306 4.3306 9.2717 9.2717 9.5881 9.5881 9.9167 9.9167 10.2719 10.2719 10.8920 10.8920 k =-0.5000 0.3081 0.2075 ( 4922 PWs) bands (ev): -12.6876 -12.6876 -12.5710 -12.5710 -11.9320 -11.9320 -9.8621 -9.8621 -9.8548 -9.8548 -9.5987 -9.5987 -3.9160 -3.9160 -3.3677 -3.3677 -3.0749 -3.0749 -0.3886 -0.3886 -0.3149 -0.3149 -0.2922 -0.2922 -0.0047 -0.0047 0.4191 0.4191 1.5083 1.5083 1.7691 1.7691 2.1017 2.1017 2.2138 2.2138 2.7896 2.7896 3.2666 3.2666 3.6772 3.6772 3.7259 3.7259 4.1458 4.1458 4.3440 4.3440 9.2096 9.2096 9.6269 9.6269 9.9895 9.9895 10.2540 10.2540 10.9375 10.9375 k =-0.5000 0.3081 0.1902 ( 4926 PWs) bands (ev): -12.6907 -12.6907 -12.5703 -12.5703 -11.9568 -11.9568 -9.8609 -9.8609 -9.8044 -9.8044 -9.5949 -9.5949 -4.0017 -4.0017 -3.3236 -3.3236 -3.0167 -3.0167 -0.4655 -0.4655 -0.3912 -0.3912 -0.2535 -0.2535 -0.0277 -0.0277 0.3959 0.3959 1.4939 1.4939 1.8080 1.8080 2.1312 2.1312 2.2544 2.2544 2.7813 2.7813 3.2776 3.2776 3.6741 3.6741 3.7066 3.7066 4.1581 4.1581 4.3567 4.3567 9.1512 9.1512 9.6623 9.6623 10.0602 10.0602 10.2374 10.2374 10.9885 10.9885 k =-0.5000 0.3081 0.1729 ( 4934 PWs) bands (ev): -12.6937 -12.6937 -12.5697 -12.5697 -11.9794 -11.9794 -9.8652 -9.8652 -9.7513 -9.7513 -9.5914 -9.5914 -4.0821 -4.0821 -3.2794 -3.2794 -2.9584 -2.9584 -0.5425 -0.5425 -0.4688 -0.4688 -0.2149 -0.2149 -0.0487 -0.0487 0.3749 0.3749 1.4809 1.4809 1.8442 1.8442 2.1604 2.1604 2.2923 2.2923 2.7740 2.7740 3.2889 3.2889 3.6706 3.6706 3.6857 3.6857 4.1702 4.1702 4.3685 4.3685 9.0966 9.0966 9.6942 9.6942 10.1279 10.1279 10.2223 10.2223 11.0441 11.0441 k =-0.5000 0.3081 0.1556 ( 4926 PWs) bands (ev): -12.6965 -12.6965 -12.5692 -12.5692 -12.0000 -12.0000 -9.8692 -9.8692 -9.7015 -9.7015 -9.5882 -9.5882 -4.1568 -4.1568 -3.2355 -3.2355 -2.9005 -2.9005 -0.6181 -0.6181 -0.5438 -0.5438 -0.1801 -0.1801 -0.0676 -0.0676 0.3561 0.3561 1.4692 1.4692 1.8776 1.8776 2.1888 2.1888 2.3274 2.3274 2.7676 2.7676 3.3007 3.3007 3.6617 3.6617 3.6686 3.6686 4.1818 4.1818 4.3795 4.3795 9.0463 9.0463 9.7225 9.7225 10.1876 10.1876 10.2133 10.2133 11.1034 11.1034 k =-0.5000 0.3081 0.1383 ( 4926 PWs) bands (ev): -12.6990 -12.6990 -12.5687 -12.5687 -12.0183 -12.0183 -9.8728 -9.8728 -9.6557 -9.6557 -9.5851 -9.5851 -4.2253 -4.2253 -3.1928 -3.1928 -2.8439 -2.8439 -0.6911 -0.6911 -0.6153 -0.6153 -0.1492 -0.1492 -0.0844 -0.0844 0.3394 0.3394 1.4588 1.4588 1.9079 1.9079 2.2160 2.2160 2.3594 2.3594 2.7620 2.7620 3.3130 3.3130 3.6388 3.6388 3.6644 3.6644 4.1929 4.1929 4.3895 4.3895 9.0005 9.0005 9.7474 9.7474 10.1915 10.1915 10.2577 10.2577 11.1652 11.1652 k =-0.5000 0.3081 0.1210 ( 4924 PWs) bands (ev): -12.7012 -12.7012 -12.5684 -12.5684 -12.0346 -12.0346 -9.8759 -9.8759 -9.6146 -9.6146 -9.5818 -9.5818 -4.2871 -4.2871 -3.1520 -3.1520 -2.7893 -2.7893 -0.7604 -0.7604 -0.6822 -0.6822 -0.1229 -0.1229 -0.0987 -0.0987 0.3248 0.3248 1.4498 1.4498 1.9350 1.9350 2.2415 2.2415 2.3880 2.3880 2.7573 2.7573 3.3259 3.3259 3.6145 3.6145 3.6609 3.6609 4.2031 4.2031 4.3984 4.3984 8.9595 8.9595 9.7689 9.7689 10.1809 10.1809 10.3136 10.3136 11.2282 11.2282 k =-0.5000 0.3081 0.1037 ( 4922 PWs) bands (ev): -12.7032 -12.7032 -12.5680 -12.5680 -12.0487 -12.0487 -9.8787 -9.8787 -9.5860 -9.5860 -9.5709 -9.5709 -4.3417 -4.3417 -3.1138 -3.1138 -2.7379 -2.7379 -0.8249 -0.8249 -0.7435 -0.7435 -0.1144 -0.1144 -0.0970 -0.0970 0.3124 0.3124 1.4421 1.4421 1.9587 1.9587 2.2648 2.2648 2.4133 2.4133 2.7533 2.7533 3.3395 3.3395 3.5897 3.5897 3.6577 3.6577 4.2123 4.2123 4.4063 4.4063 8.9234 8.9234 9.7872 9.7872 10.1711 10.1711 10.3651 10.3651 11.2906 11.2906 k =-0.5000 0.3081 0.0864 ( 4926 PWs) bands (ev): -12.7048 -12.7048 -12.5678 -12.5678 -12.0606 -12.0606 -9.8811 -9.8811 -9.5807 -9.5807 -9.5420 -9.5420 -4.3888 -4.3888 -3.0792 -3.0792 -2.6907 -2.6907 -0.8832 -0.8832 -0.7981 -0.7981 -0.1244 -0.1244 -0.0787 -0.0787 0.3021 0.3021 1.4357 1.4357 1.9791 1.9791 2.2856 2.2856 2.4349 2.4349 2.7500 2.7500 3.3539 3.3539 3.5648 3.5648 3.6547 3.6547 4.2204 4.2204 4.4131 4.4131 8.8925 8.8925 9.8024 9.8024 10.1626 10.1626 10.4109 10.4109 11.3502 11.3502 k =-0.5000 0.3081 0.0692 ( 4922 PWs) bands (ev): -12.7062 -12.7062 -12.5676 -12.5676 -12.0704 -12.0704 -9.8830 -9.8830 -9.5787 -9.5787 -9.5156 -9.5156 -4.4279 -4.4279 -3.0492 -3.0492 -2.6492 -2.6492 -0.9339 -0.9339 -0.8449 -0.8449 -0.1332 -0.1332 -0.0632 -0.0632 0.2938 0.2938 1.4304 1.4304 1.9958 1.9958 2.3033 2.3033 2.4528 2.4528 2.7473 2.7473 3.3692 3.3692 3.5402 3.5402 3.6523 3.6523 4.2272 4.2272 4.4187 4.4187 8.8670 8.8670 9.8147 9.8147 10.1556 10.1556 10.4501 10.4501 11.4018 11.4018 k =-0.5000 0.3081 0.0519 ( 4938 PWs) bands (ev): -12.7073 -12.7073 -12.5674 -12.5674 -12.0780 -12.0780 -9.8845 -9.8845 -9.5773 -9.5773 -9.4944 -9.4944 -4.4587 -4.4587 -3.0246 -3.0246 -2.6147 -2.6147 -0.9755 -0.9755 -0.8826 -0.8826 -0.1402 -0.1402 -0.0513 -0.0513 0.2875 0.2875 1.4264 1.4264 2.0089 2.0089 2.3176 2.3176 2.4668 2.4668 2.7453 2.7453 3.3853 3.3853 3.5164 3.5164 3.6502 3.6502 4.2327 4.2327 4.4231 4.4231 8.8470 8.8470 9.8241 9.8241 10.1501 10.1501 10.4819 10.4819 11.4068 11.4068 k =-0.5000 0.3081 0.0346 ( 4936 PWs) bands (ev): -12.7081 -12.7081 -12.5673 -12.5673 -12.0835 -12.0835 -9.8856 -9.8856 -9.5764 -9.5764 -9.4790 -9.4790 -4.4809 -4.4809 -3.0063 -3.0063 -2.5888 -2.5888 -1.0066 -1.0066 -0.9104 -0.9104 -0.1452 -0.1452 -0.0429 -0.0429 0.2831 0.2831 1.4235 1.4235 2.0184 2.0184 2.3280 2.3280 2.4769 2.4769 2.7439 2.7439 3.4020 3.4020 3.4938 3.4938 3.6487 3.6487 4.2366 4.2366 4.4262 4.4262 8.8326 8.8326 9.8308 9.8308 10.1462 10.1462 10.5054 10.5054 11.3953 11.3953 k =-0.5000 0.3081 0.0173 ( 4932 PWs) bands (ev): -12.7086 -12.7086 -12.5673 -12.5673 -12.0867 -12.0867 -9.8863 -9.8863 -9.5759 -9.5759 -9.4697 -9.4697 -4.4943 -4.4943 -2.9951 -2.9951 -2.5726 -2.5726 -1.0258 -1.0258 -0.9274 -0.9274 -0.1481 -0.1481 -0.0379 -0.0379 0.2805 0.2805 1.4218 1.4218 2.0241 2.0241 2.3344 2.3344 2.4830 2.4830 2.7431 2.7431 3.4181 3.4181 3.4741 3.4741 3.6478 3.6478 4.2390 4.2390 4.4281 4.4281 8.8240 8.8240 9.8348 9.8348 10.1438 10.1438 10.5198 10.5198 11.3876 11.3876 k =-0.5000 0.3081 0.0000 ( 4936 PWs) bands (ev): -12.7087 -12.7087 -12.5672 -12.5672 -12.0878 -12.0878 -9.8865 -9.8865 -9.5757 -9.5757 -9.4666 -9.4666 -4.4988 -4.4988 -2.9913 -2.9913 -2.5672 -2.5672 -1.0323 -1.0323 -0.9331 -0.9331 -0.1491 -0.1491 -0.0362 -0.0362 0.2796 0.2796 1.4212 1.4212 2.0260 2.0260 2.3366 2.3366 2.4851 2.4851 2.7428 2.7428 3.4271 3.4271 3.4639 3.4639 3.6475 3.6475 4.2398 4.2398 4.4288 4.4288 8.8211 8.8211 9.8361 9.8361 10.1430 10.1430 10.5246 10.5246 11.3849 11.3849 k = 0.0000 0.0000 0.5360 ( 4896 PWs) bands (ev): -12.8608 -12.8608 -12.8608 -12.8608 -10.6434 -10.6434 -10.6434 -10.6434 -9.6698 -9.6698 -9.6698 -9.6698 -4.4698 -4.4698 -4.4698 -4.4698 -1.4102 -1.4102 -1.4102 -1.4102 0.1264 0.1264 0.1264 0.1264 0.2181 0.2181 0.2181 0.2181 1.4863 1.4863 1.4863 1.4863 2.2324 2.2324 2.2324 2.2324 3.4008 3.4008 3.4008 3.4008 4.0342 4.0342 4.0342 4.0342 4.1738 4.1738 4.1738 4.1738 8.8900 8.8900 8.8900 8.8900 9.3122 9.3122 9.3122 9.3122 11.5232 11.5232 k =-0.0147 0.0091 0.5360 ( 4888 PWs) bands (ev): -12.8604 -12.8604 -12.8603 -12.8603 -10.6444 -10.6444 -10.6442 -10.6442 -9.6700 -9.6700 -9.6697 -9.6697 -4.4689 -4.4689 -4.4683 -4.4683 -1.4112 -1.4112 -1.4106 -1.4106 0.1233 0.1233 0.1301 0.1301 0.2166 0.2166 0.2229 0.2229 1.4849 1.4849 1.4858 1.4858 2.2328 2.2328 2.2336 2.2336 3.3997 3.3997 3.4005 3.4005 4.0247 4.0247 4.0284 4.0284 4.1777 4.1777 4.1804 4.1804 8.8914 8.8914 8.8938 8.8938 9.3109 9.3109 9.3129 9.3129 11.5233 11.5233 k =-0.0294 0.0181 0.5360 ( 4900 PWs) bands (ev): -12.8591 -12.8591 -12.8589 -12.8589 -10.6473 -10.6473 -10.6469 -10.6469 -9.6703 -9.6703 -9.6698 -9.6698 -4.4655 -4.4655 -4.4643 -4.4643 -1.4136 -1.4136 -1.4125 -1.4125 0.1211 0.1211 0.1340 0.1340 0.2188 0.2188 0.2307 0.2307 1.4816 1.4816 1.4835 1.4835 2.2348 2.2348 2.2363 2.2363 3.3972 3.3972 3.3988 3.3988 4.0032 4.0032 4.0094 4.0094 4.1899 4.1899 4.1943 4.1943 8.8980 8.8980 8.9028 8.9028 9.3091 9.3091 9.3132 9.3132 11.5251 11.5251 k =-0.0441 0.0272 0.5360 ( 4904 PWs) bands (ev): -12.8570 -12.8570 -12.8567 -12.8567 -10.6519 -10.6519 -10.6515 -10.6515 -9.6708 -9.6708 -9.6699 -9.6699 -4.4597 -4.4597 -4.4579 -4.4579 -1.4175 -1.4175 -1.4159 -1.4159 0.1200 0.1200 0.1379 0.1379 0.2248 0.2248 0.2413 0.2413 1.4765 1.4765 1.4794 1.4794 2.2383 2.2383 2.2406 2.2406 3.3933 3.3933 3.3957 3.3957 3.9743 3.9743 3.9821 3.9821 4.2058 4.2058 4.2109 4.2109 8.9095 8.9095 8.9167 8.9167 9.3069 9.3069 9.3131 9.3131 11.5286 11.5286 k =-0.0588 0.0362 0.5360 ( 4896 PWs) bands (ev): -12.8539 -12.8539 -12.8536 -12.8536 -10.6584 -10.6584 -10.6578 -10.6578 -9.6714 -9.6714 -9.6703 -9.6703 -4.4515 -4.4515 -4.4492 -4.4492 -1.4229 -1.4229 -1.4208 -1.4208 0.1203 0.1203 0.1418 0.1418 0.2347 0.2347 0.2543 0.2543 1.4696 1.4696 1.4735 1.4735 2.2429 2.2429 2.2461 2.2461 3.3881 3.3881 3.3912 3.3912 3.9410 3.9410 3.9500 3.9500 4.2222 4.2222 4.2275 4.2275 8.9255 8.9255 8.9352 8.9352 9.3045 9.3045 9.3130 9.3130 11.5335 11.5335 k =-0.0735 0.0453 0.5360 ( 4900 PWs) bands (ev): -12.8501 -12.8501 -12.8496 -12.8496 -10.6666 -10.6666 -10.6658 -10.6658 -9.6721 -9.6721 -9.6707 -9.6707 -4.4410 -4.4410 -4.4380 -4.4380 -1.4296 -1.4296 -1.4271 -1.4271 0.1221 0.1221 0.1459 0.1459 0.2483 0.2483 0.2697 0.2697 1.4610 1.4610 1.4659 1.4659 2.2484 2.2484 2.2525 2.2525 3.3816 3.3816 3.3855 3.3855 3.9051 3.9051 3.9149 3.9149 4.2376 4.2376 4.2429 4.2429 8.9453 8.9453 8.9578 8.9578 9.3023 9.3023 9.3133 9.3133 11.5395 11.5395 k =-0.0882 0.0544 0.5360 ( 4896 PWs) bands (ev): -12.8454 -12.8454 -12.8448 -12.8448 -10.6764 -10.6764 -10.6755 -10.6755 -9.6730 -9.6730 -9.6714 -9.6714 -4.4281 -4.4281 -4.4247 -4.4247 -1.4377 -1.4377 -1.4348 -1.4348 0.1253 0.1253 0.1505 0.1505 0.2652 0.2652 0.2875 0.2875 1.4507 1.4507 1.4567 1.4567 2.2544 2.2544 2.2594 2.2594 3.3739 3.3739 3.3786 3.3786 3.8677 3.8677 3.8782 3.8782 4.2512 4.2512 4.2564 4.2564 8.9681 8.9681 8.9834 8.9834 9.3009 9.3009 9.3146 9.3146 11.5462 11.5462 k =-0.1029 0.0634 0.5360 ( 4896 PWs) bands (ev): -12.8399 -12.8399 -12.8392 -12.8392 -10.6879 -10.6879 -10.6868 -10.6868 -9.6740 -9.6740 -9.6721 -9.6721 -4.4130 -4.4130 -4.4090 -4.4090 -1.4472 -1.4472 -1.4440 -1.4440 0.1302 0.1302 0.1558 0.1558 0.2851 0.2851 0.3074 0.3074 1.4388 1.4388 1.4458 1.4458 2.2604 2.2604 2.2665 2.2665 3.3652 3.3652 3.3706 3.3706 3.8295 3.8295 3.8407 3.8407 4.2626 4.2626 4.2678 4.2678 8.9927 8.9927 9.0111 9.0111 9.3014 9.3014 9.3178 9.3178 11.5532 11.5532 k =-0.1176 0.0725 0.5360 ( 4892 PWs) bands (ev): -12.8336 -12.8336 -12.8329 -12.8329 -10.7008 -10.7008 -10.6996 -10.6996 -9.6751 -9.6751 -9.6731 -9.6731 -4.3958 -4.3958 -4.3913 -4.3913 -1.4579 -1.4579 -1.4545 -1.4545 0.1365 0.1365 0.1619 0.1619 0.3078 0.3078 0.3296 0.3296 1.4253 1.4253 1.4335 1.4335 2.2660 2.2660 2.2732 2.2732 3.3556 3.3556 3.3618 3.3618 3.7913 3.7913 3.8031 3.8031 4.2718 4.2718 4.2768 4.2768 9.0176 9.0176 9.0389 9.0389 9.3050 9.3050 9.3242 9.3242 11.5598 11.5598 k =-0.1324 0.0816 0.5360 ( 4886 PWs) bands (ev): -12.8265 -12.8265 -12.8258 -12.8258 -10.7150 -10.7150 -10.7138 -10.7138 -9.6764 -9.6764 -9.6743 -9.6743 -4.3765 -4.3765 -4.3715 -4.3715 -1.4700 -1.4700 -1.4663 -1.4663 0.1442 0.1442 0.1690 0.1690 0.3332 0.3332 0.3539 0.3539 1.4104 1.4104 1.4197 1.4197 2.2704 2.2704 2.2789 2.2789 3.3454 3.3454 3.3524 3.3524 3.7537 3.7537 3.7659 3.7659 4.2786 4.2786 4.2836 4.2836 9.0410 9.0410 9.0647 9.0647 9.3137 9.3137 9.3353 9.3353 11.5655 11.5655 k =-0.1471 0.0906 0.5360 ( 4894 PWs) bands (ev): -12.8188 -12.8188 -12.8179 -12.8179 -10.7305 -10.7305 -10.7292 -10.7292 -9.6779 -9.6779 -9.6756 -9.6756 -4.3552 -4.3552 -4.3498 -4.3498 -1.4832 -1.4832 -1.4793 -1.4793 0.1534 0.1534 0.1772 0.1772 0.3610 0.3610 0.3804 0.3804 1.3939 1.3939 1.4046 1.4046 2.2732 2.2732 2.2830 2.2830 3.3349 3.3349 3.3427 3.3427 3.7173 3.7173 3.7298 3.7298 4.2832 4.2832 4.2881 4.2881 9.0609 9.0609 9.0859 9.0859 9.3298 9.3298 9.3528 9.3528 11.5698 11.5698 k =-0.1618 0.0997 0.5360 ( 4898 PWs) bands (ev): -12.8104 -12.8104 -12.8095 -12.8095 -10.7472 -10.7472 -10.7457 -10.7457 -9.6795 -9.6795 -9.6771 -9.6771 -4.3321 -4.3321 -4.3263 -4.3263 -1.4975 -1.4975 -1.4935 -1.4935 0.1639 0.1639 0.1864 0.1864 0.3912 0.3912 0.4090 0.4090 1.3761 1.3761 1.3881 1.3881 2.2739 2.2739 2.2850 2.2850 3.3246 3.3246 3.3331 3.3331 3.6824 3.6824 3.6952 3.6952 4.2855 4.2855 4.2903 4.2903 9.0757 9.0757 9.1006 9.1006 9.3548 9.3548 9.3778 9.3778 11.5719 11.5719 k =-0.1765 0.1087 0.5360 ( 4902 PWs) bands (ev): -12.8014 -12.8014 -12.8004 -12.8004 -10.7648 -10.7648 -10.7633 -10.7633 -9.6813 -9.6813 -9.6788 -9.6788 -4.3073 -4.3073 -4.3012 -4.3012 -1.5129 -1.5129 -1.5088 -1.5088 0.1756 0.1756 0.1967 0.1967 0.4235 0.4235 0.4396 0.4396 1.3569 1.3569 1.3702 1.3702 2.2717 2.2717 2.2842 2.2842 3.3147 3.3147 3.3240 3.3240 3.6496 3.6496 3.6624 3.6624 4.2858 4.2858 4.2906 4.2906 9.0851 9.0851 9.1084 9.1084 9.3887 9.3887 9.4105 9.4105 11.5715 11.5715 k =-0.1912 0.1178 0.5360 ( 4906 PWs) bands (ev): -12.7918 -12.7918 -12.7907 -12.7907 -10.7833 -10.7833 -10.7817 -10.7817 -9.6832 -9.6832 -9.6806 -9.6806 -4.2809 -4.2809 -4.2745 -4.2745 -1.5292 -1.5292 -1.5251 -1.5251 0.1884 0.1884 0.2081 0.2081 0.4579 0.4579 0.4722 0.4722 1.3363 1.3363 1.3511 1.3511 2.2664 2.2664 2.2803 2.2803 3.3056 3.3056 3.3156 3.3156 3.6192 3.6192 3.6318 3.6318 4.2841 4.2841 4.2888 4.2888 9.0892 9.0892 9.1103 9.1103 9.4303 9.4303 9.4503 9.4503 11.5680 11.5680 k =-0.2059 0.1269 0.5360 ( 4902 PWs) bands (ev): -12.7817 -12.7817 -12.7806 -12.7806 -10.8025 -10.8025 -10.8009 -10.8009 -9.6853 -9.6853 -9.6827 -9.6827 -4.2531 -4.2531 -4.2465 -4.2465 -1.5463 -1.5463 -1.5423 -1.5423 0.2023 0.2023 0.2205 0.2205 0.4942 0.4942 0.5067 0.5067 1.3144 1.3144 1.3307 1.3307 2.2577 2.2577 2.2729 2.2729 3.2976 3.2976 3.3082 3.3082 3.5914 3.5914 3.6038 3.6038 4.2805 4.2805 4.2853 4.2853 9.0891 9.0891 9.1079 9.1079 9.4776 9.4776 9.4959 9.4959 11.5612 11.5612 k =-0.2206 0.1359 0.5360 ( 4902 PWs) bands (ev): -12.7711 -12.7711 -12.7700 -12.7700 -10.8223 -10.8223 -10.8206 -10.8206 -9.6874 -9.6874 -9.6848 -9.6848 -4.2242 -4.2242 -4.2173 -4.2173 -1.5642 -1.5642 -1.5603 -1.5603 0.2172 0.2172 0.2339 0.2339 0.5321 0.5321 0.5430 0.5430 1.2912 1.2912 1.3091 1.3091 2.2452 2.2452 2.2618 2.2618 3.2908 3.2908 3.3018 3.3018 3.5668 3.5668 3.5787 3.5787 4.2752 4.2752 4.2801 4.2801 9.0858 9.0858 9.1024 9.1024 9.5291 9.5291 9.5461 9.5461 11.5509 11.5509 k =-0.2353 0.1450 0.5360 ( 4906 PWs) bands (ev): -12.7602 -12.7602 -12.7590 -12.7590 -10.8425 -10.8425 -10.8408 -10.8408 -9.6897 -9.6897 -9.6871 -9.6871 -4.1942 -4.1942 -4.1871 -4.1871 -1.5828 -1.5828 -1.5789 -1.5789 0.2330 0.2330 0.2482 0.2482 0.5715 0.5715 0.5810 0.5810 1.2667 1.2667 1.2863 1.2863 2.2291 2.2291 2.2469 2.2469 3.2849 3.2849 3.2960 3.2960 3.5457 3.5457 3.5569 3.5569 4.2683 4.2683 4.2733 4.2733 9.0802 9.0802 9.0949 9.0949 9.5835 9.5835 9.5996 9.5996 11.5369 11.5369 k =-0.2500 0.1541 0.5360 ( 4906 PWs) bands (ev): -12.7490 -12.7490 -12.7478 -12.7478 -10.8629 -10.8629 -10.8612 -10.8612 -9.6921 -9.6921 -9.6895 -9.6895 -4.1634 -4.1634 -4.1562 -4.1562 -1.6018 -1.6018 -1.5980 -1.5980 0.2496 0.2496 0.2636 0.2636 0.6119 0.6119 0.6206 0.6206 1.2410 1.2410 1.2623 1.2623 2.2097 2.2097 2.2286 2.2286 3.2794 3.2794 3.2904 3.2904 3.5286 3.5286 3.5390 3.5390 4.2600 4.2600 4.2651 4.2651 9.0729 9.0729 9.0860 9.0860 9.6399 9.6399 9.6555 9.6555 11.5195 11.5195 k =-0.2647 0.1631 0.5360 ( 4914 PWs) bands (ev): -12.7376 -12.7376 -12.7364 -12.7364 -10.8834 -10.8834 -10.8818 -10.8818 -9.6945 -9.6945 -9.6920 -9.6920 -4.1320 -4.1320 -4.1248 -4.1248 -1.6211 -1.6211 -1.6175 -1.6175 0.2670 0.2670 0.2799 0.2799 0.6531 0.6531 0.6616 0.6616 1.2142 1.2142 1.2372 1.2372 2.1871 2.1871 2.2070 2.2070 3.2737 3.2737 3.2842 3.2842 3.5163 3.5163 3.5256 3.5256 4.2505 4.2505 4.2557 4.2557 9.0646 9.0646 9.0764 9.0764 9.6976 9.6976 9.7130 9.7130 11.4986 11.4986 k =-0.2794 0.1722 0.5360 ( 4916 PWs) bands (ev): -12.7261 -12.7261 -12.7248 -12.7248 -10.9039 -10.9039 -10.9023 -10.9023 -9.6970 -9.6970 -9.6945 -9.6945 -4.1003 -4.1003 -4.0931 -4.0931 -1.6407 -1.6407 -1.6372 -1.6372 0.2852 0.2852 0.2972 0.2972 0.6947 0.6947 0.7037 0.7037 1.1863 1.1863 1.2111 1.2111 2.1620 2.1620 2.1828 2.1828 3.2667 3.2667 3.2765 3.2765 3.5091 3.5091 3.5173 3.5173 4.2398 4.2398 4.2451 4.2451 9.0556 9.0556 9.0662 9.0662 9.7561 9.7561 9.7716 9.7716 11.4746 11.4746 k =-0.2941 0.1812 0.5360 ( 4920 PWs) bands (ev): -12.7145 -12.7145 -12.7133 -12.7133 -10.9242 -10.9242 -10.9226 -10.9226 -9.6994 -9.6994 -9.6971 -9.6971 -4.0685 -4.0685 -4.0613 -4.0613 -1.6603 -1.6603 -1.6570 -1.6570 0.3039 0.3039 0.3154 0.3154 0.7363 0.7363 0.7466 0.7466 1.1575 1.1575 1.1842 1.1842 2.1348 2.1348 2.1564 2.1564 3.2578 3.2578 3.2668 3.2668 3.5073 3.5073 3.5146 3.5146 4.2280 4.2280 4.2336 4.2336 9.0462 9.0462 9.0558 9.0558 9.8149 9.8149 9.8307 9.8307 11.4476 11.4476 k =-0.3088 0.1903 0.5360 ( 4916 PWs) bands (ev): -12.7030 -12.7030 -12.7018 -12.7018 -10.9440 -10.9440 -10.9424 -10.9424 -9.7019 -9.7019 -9.6997 -9.6997 -4.0369 -4.0369 -4.0299 -4.0299 -1.6799 -1.6799 -1.6767 -1.6767 0.3234 0.3234 0.3346 0.3346 0.7775 0.7775 0.7897 0.7897 1.1280 1.1280 1.1569 1.1569 2.1062 2.1062 2.1284 2.1284 3.2467 3.2467 3.2550 3.2550 3.5106 3.5106 3.5174 3.5174 4.2155 4.2155 4.2212 4.2212 9.0367 9.0367 9.0454 9.0454 9.8737 9.8737 9.8898 9.8898 11.4179 11.4179 k =-0.3235 0.1994 0.5360 ( 4920 PWs) bands (ev): -12.6917 -12.6917 -12.6906 -12.6906 -10.9633 -10.9633 -10.9618 -10.9618 -9.7043 -9.7043 -9.7022 -9.7022 -4.0058 -4.0058 -3.9989 -3.9989 -1.6991 -1.6991 -1.6961 -1.6961 0.3434 0.3434 0.3547 0.3547 0.8175 0.8175 0.8325 0.8325 1.0983 1.0983 1.1296 1.1296 2.0768 2.0768 2.0993 2.0993 3.2334 3.2334 3.2412 3.2412 3.5184 3.5184 3.5250 3.5250 4.2023 4.2023 4.2081 4.2081 9.0272 9.0272 9.0352 9.0352 9.9322 9.9322 9.9487 9.9487 11.3859 11.3859 k =-0.3382 0.2084 0.5360 ( 4920 PWs) bands (ev): -12.6807 -12.6807 -12.6796 -12.6796 -10.9818 -10.9818 -10.9804 -10.9804 -9.7066 -9.7066 -9.7047 -9.7047 -3.9755 -3.9755 -3.9688 -3.9688 -1.7179 -1.7179 -1.7150 -1.7150 0.3641 0.3641 0.3757 0.3757 0.8551 0.8551 0.8739 0.8739 1.0692 1.0692 1.1034 1.1034 2.0470 2.0470 2.0698 2.0698 3.2186 3.2186 3.2259 3.2259 3.5299 3.5299 3.5366 3.5366 4.1885 4.1885 4.1944 4.1944 9.0180 9.0180 9.0253 9.0253 9.9901 9.9901 10.0069 10.0069 11.3518 11.3518 k =-0.3529 0.2175 0.5360 ( 4926 PWs) bands (ev): -12.6702 -12.6702 -12.6691 -12.6691 -10.9995 -10.9995 -10.9981 -10.9981 -9.7089 -9.7089 -9.7071 -9.7071 -3.9462 -3.9462 -3.9399 -3.9399 -1.7360 -1.7360 -1.7333 -1.7333 0.3853 0.3853 0.3975 0.3975 0.8877 0.8877 0.9116 0.9116 1.0426 1.0426 1.0806 1.0806 2.0175 2.0175 2.0402 2.0402 3.2027 3.2027 3.2096 3.2096 3.5443 3.5443 3.5510 3.5510 4.1745 4.1745 4.1804 4.1804 9.0092 9.0092 9.0158 9.0158 10.0471 10.0471 10.0642 10.0642 11.3159 11.3159 k =-0.3676 0.2266 0.5360 ( 4930 PWs) bands (ev): -12.6601 -12.6601 -12.6591 -12.6591 -11.0160 -11.0160 -11.0147 -11.0147 -9.7110 -9.7110 -9.7093 -9.7093 -3.9184 -3.9184 -3.9125 -3.9125 -1.7532 -1.7532 -1.7508 -1.7508 0.4072 0.4072 0.4200 0.4200 0.9100 0.9100 0.9389 0.9389 1.0256 1.0256 1.0660 1.0660 1.9887 1.9887 2.0111 2.0111 3.1865 3.1865 3.1929 3.1929 3.5607 3.5607 3.5674 3.5674 4.1602 4.1602 4.1661 4.1661 9.0009 9.0009 9.0068 9.0068 10.1028 10.1028 10.1202 10.1202 11.2788 11.2788 k =-0.3824 0.2356 0.5360 ( 4936 PWs) bands (ev): -12.6507 -12.6507 -12.6498 -12.6498 -11.0313 -11.0313 -11.0302 -11.0302 -9.7129 -9.7129 -9.7114 -9.7114 -3.8923 -3.8923 -3.8868 -3.8868 -1.7694 -1.7694 -1.7671 -1.7671 0.4297 0.4297 0.4432 0.4432 0.9145 0.9145 0.9410 0.9410 1.0328 1.0328 1.0663 1.0663 1.9610 1.9610 1.9829 1.9829 3.1704 3.1704 3.1764 3.1764 3.5783 3.5783 3.5849 3.5849 4.1461 4.1461 4.1519 4.1519 8.9932 8.9932 8.9985 8.9985 10.1571 10.1571 10.1745 10.1745 11.2409 11.2409 k =-0.3971 0.2447 0.5360 ( 4932 PWs) bands (ev): -12.6421 -12.6421 -12.6412 -12.6412 -11.0453 -11.0453 -11.0442 -11.0442 -9.7147 -9.7147 -9.7134 -9.7134 -3.8683 -3.8683 -3.8633 -3.8633 -1.7843 -1.7843 -1.7823 -1.7823 0.4527 0.4527 0.4669 0.4669 0.9007 0.9007 0.9225 0.9225 1.0593 1.0593 1.0823 1.0823 1.9350 1.9350 1.9558 1.9558 3.1551 3.1551 3.1605 3.1605 3.5963 3.5963 3.6026 3.6026 4.1323 4.1323 4.1379 4.1379 8.9863 8.9863 8.9909 8.9909 10.2093 10.2093 10.2265 10.2265 11.2028 11.2028 k =-0.4118 0.2537 0.5360 ( 4932 PWs) bands (ev): -12.6343 -12.6343 -12.6335 -12.6335 -11.0577 -11.0577 -11.0567 -11.0567 -9.7163 -9.7163 -9.7151 -9.7151 -3.8466 -3.8466 -3.8422 -3.8422 -1.7977 -1.7977 -1.7959 -1.7959 0.4762 0.4762 0.4909 0.4909 0.8768 0.8768 0.8972 0.8972 1.0900 1.0900 1.1063 1.1063 1.9111 1.9111 1.9305 1.9305 3.1409 3.1409 3.1457 3.1457 3.6139 3.6139 3.6198 3.6198 4.1192 4.1192 4.1245 4.1245 8.9801 8.9801 8.9841 8.9841 10.2590 10.2590 10.2757 10.2757 11.1654 11.1654 k =-0.4265 0.2628 0.5360 ( 4936 PWs) bands (ev): -12.6275 -12.6275 -12.6269 -12.6269 -11.0684 -11.0684 -11.0676 -11.0676 -9.7176 -9.7176 -9.7167 -9.7167 -3.8276 -3.8276 -3.8239 -3.8239 -1.8094 -1.8094 -1.8079 -1.8079 0.4998 0.4998 0.5149 0.5149 0.8496 0.8496 0.8694 0.8694 1.1195 1.1195 1.1321 1.1321 1.8898 1.8898 1.9072 1.9072 3.1283 3.1283 3.1323 3.1323 3.6306 3.6306 3.6359 3.6359 4.1071 4.1071 4.1119 4.1119 8.9749 8.9749 8.9782 8.9782 10.3053 10.3053 10.3210 10.3210 11.1297 11.1297 k =-0.4412 0.2719 0.5360 ( 4942 PWs) bands (ev): -12.6218 -12.6218 -12.6213 -12.6213 -11.0774 -11.0774 -11.0767 -11.0767 -9.7187 -9.7187 -9.7180 -9.7180 -3.8116 -3.8116 -3.8085 -3.8085 -1.8193 -1.8193 -1.8180 -1.8180 0.5233 0.5233 0.5383 0.5383 0.8223 0.8223 0.8413 0.8413 1.1460 1.1460 1.1559 1.1559 1.8716 1.8716 1.8865 1.8865 3.1175 3.1175 3.1208 3.1208 3.6456 3.6456 3.6501 3.6501 4.0964 4.0964 4.1005 4.1005 8.9706 8.9706 8.9732 8.9732 10.3473 10.3473 10.3614 10.3614 11.0971 11.0971 k =-0.4559 0.2809 0.5360 ( 4928 PWs) bands (ev): -12.6172 -12.6172 -12.6168 -12.6168 -11.0844 -11.0844 -11.0839 -11.0839 -9.7196 -9.7196 -9.7190 -9.7190 -3.7988 -3.7988 -3.7964 -3.7964 -1.8271 -1.8271 -1.8261 -1.8261 0.5461 0.5461 0.5601 0.5601 0.7970 0.7970 0.8143 0.8143 1.1683 1.1683 1.1760 1.1760 1.8571 1.8571 1.8690 1.8690 3.1089 3.1089 3.1114 3.1114 3.6583 3.6583 3.6619 3.6619 4.0876 4.0876 4.0909 4.0909 8.9672 8.9672 8.9692 8.9692 10.3835 10.3835 10.3953 10.3953 11.0691 11.0691 k =-0.4706 0.2900 0.5360 ( 4934 PWs) bands (ev): -12.6139 -12.6139 -12.6136 -12.6136 -11.0895 -11.0895 -11.0891 -11.0891 -9.7202 -9.7202 -9.7198 -9.7198 -3.7893 -3.7893 -3.7877 -3.7877 -1.8327 -1.8327 -1.8321 -1.8321 0.5668 0.5668 0.5784 0.5784 0.7762 0.7762 0.7901 0.7901 1.1855 1.1855 1.1908 1.1908 1.8469 1.8469 1.8552 1.8552 3.1027 3.1027 3.1044 3.1044 3.6681 3.6681 3.6707 3.6707 4.0811 4.0811 4.0834 4.0834 8.9649 8.9649 8.9663 8.9663 10.4123 10.4123 10.4209 10.4209 11.0478 11.0478 k =-0.4853 0.2991 0.5360 ( 4928 PWs) bands (ev): -12.6119 -12.6119 -12.6117 -12.6117 -11.0925 -11.0925 -11.0923 -11.0923 -9.7205 -9.7205 -9.7203 -9.7203 -3.7834 -3.7834 -3.7826 -3.7826 -1.8361 -1.8361 -1.8357 -1.8357 0.5832 0.5832 0.5902 0.5902 0.7631 0.7631 0.7712 0.7712 1.1967 1.1967 1.1994 1.1994 1.8415 1.8415 1.8458 1.8458 3.0991 3.0991 3.0999 3.0999 3.6745 3.6745 3.6758 3.6758 4.0773 4.0773 4.0784 4.0784 8.9636 8.9636 8.9643 8.9643 10.4316 10.4316 10.4362 10.4362 11.0351 11.0351 k =-0.5000 0.3081 0.5360 ( 4928 PWs) bands (ev): -12.6111 -12.6111 -12.6111 -12.6111 -11.0935 -11.0935 -11.0935 -11.0935 -9.7206 -9.7206 -9.7206 -9.7206 -3.7812 -3.7812 -3.7812 -3.7812 -1.8371 -1.8371 -1.8371 -1.8371 0.5919 0.5919 0.5919 0.5919 0.7612 0.7612 0.7612 0.7612 1.2015 1.2015 1.2015 1.2015 1.8411 1.8411 1.8411 1.8411 3.0981 3.0981 3.0981 3.0981 3.6772 3.6772 3.6772 3.6772 4.0764 4.0764 4.0764 4.0764 8.9635 8.9635 8.9635 8.9635 10.4399 10.4399 10.4399 10.4399 11.0324 11.0324 Writing output data file Ge2N2O.save init_run : 2.90s CPU 11.54s WALL ( 1 calls) electrons : 1068.30s CPU 1079.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.32s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1068.28s CPU 1079.38s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.62s WALL ( 1 calls) newd : 0.14s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 356 calls) cegterg : 992.54s CPU 999.66s WALL ( 1108 calls) Called by sum_band: Called by *egterg: h_psi : 361.34s CPU 372.95s WALL ( 20783 calls) s_psi : 29.10s CPU 29.75s WALL ( 20783 calls) g_psi : 1.09s CPU 1.06s WALL ( 19319 calls) cdiaghg : 438.09s CPU 434.25s WALL ( 19675 calls) cegterg:over : 87.63s CPU 84.99s WALL ( 19319 calls) cegterg:upda : 19.82s CPU 25.24s WALL ( 19319 calls) cegterg:last : 17.14s CPU 18.03s WALL ( 2526 calls) Called by h_psi: h_psi:vloc : 279.88s CPU 289.51s WALL ( 20783 calls) h_psi:vnl : 80.97s CPU 82.10s WALL ( 20783 calls) add_vuspsi : 22.47s CPU 26.93s WALL ( 20783 calls) General routines calbec : 58.42s CPU 55.02s WALL ( 20783 calls) fft : 0.43s CPU 0.93s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 262.16s CPU 270.32s WALL ( 1644140 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.04s CPU 3.11s WALL ( 712 calls) Parallel routines fft_scatter : 168.24s CPU 174.13s WALL ( 1644163 calls) PWSCF : 19m 5.82s CPU 26m 9.86s WALL This run was terminated on: 17:45:25 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=