Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:27:59 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H5C4N3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 107 60 17 4630 1939 292 Max 108 61 18 4635 1966 295 Sum 3887 2181 615 166785 70395 10575 bravais-lattice index = 14 lattice parameter (alat) = 14.7795 a.u. unit-cell volume = 1669.5335 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.779547 celldm(2)= 0.683416 celldm(3)= 0.830233 celldm(4)= 0.411441 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.683416 0.000000 ) a(3) = ( 0.000000 0.341592 0.756705 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.463237 -0.660536 ) b(3) = ( 0.000000 0.000000 1.321520 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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: /users/gautes/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 H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0244726), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0489452), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0734178), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.0978903), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.1223629), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1468355), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1713081), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.1957807), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.2202533), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.2447259), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2691985), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.2936710), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.3181436), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.3426162), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.3670888), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.3915614), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.4160340), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.4405066), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.4649792), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.4894517), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.5139243), wk = 0.0042373 k( 23) = ( 0.0000000 0.0000000 0.5383969), wk = 0.0042373 k( 24) = ( 0.0000000 0.0000000 0.5628695), wk = 0.0042373 k( 25) = ( 0.0000000 0.0000000 0.5873421), wk = 0.0042373 k( 26) = ( 0.0000000 0.0000000 0.6118147), wk = 0.0042373 k( 27) = ( 0.0000000 0.0000000 0.6362873), wk = 0.0042373 k( 28) = ( 0.0000000 0.0000000 0.6607599), wk = 0.0042373 k( 29) = ( 0.0000000 0.0000000 0.6607599), wk = 0.0042373 k( 30) = ( 0.0000000 0.0242678 0.6607599), wk = 0.0042373 k( 31) = ( 0.0000000 0.0485356 0.6607599), wk = 0.0042373 k( 32) = ( 0.0000000 0.0728034 0.6607599), wk = 0.0042373 k( 33) = ( 0.0000000 0.0970712 0.6607599), wk = 0.0042373 k( 34) = ( 0.0000000 0.1213390 0.6607599), wk = 0.0042373 k( 35) = ( 0.0000000 0.1456068 0.6607599), wk = 0.0042373 k( 36) = ( 0.0000000 0.1698746 0.6607599), wk = 0.0042373 k( 37) = ( 0.0000000 0.1941424 0.6607599), wk = 0.0042373 k( 38) = ( 0.0000000 0.2184102 0.6607599), wk = 0.0042373 k( 39) = ( 0.0000000 0.2426781 0.6607599), wk = 0.0042373 k( 40) = ( 0.0000000 0.2669459 0.6607599), wk = 0.0042373 k( 41) = ( 0.0000000 0.2912137 0.6607599), wk = 0.0042373 k( 42) = ( 0.0000000 0.3154815 0.6607599), wk = 0.0042373 k( 43) = ( 0.0000000 0.3397493 0.6607599), wk = 0.0042373 k( 44) = ( 0.0000000 0.3640171 0.6607599), wk = 0.0042373 k( 45) = ( 0.0000000 0.3882849 0.6607599), wk = 0.0042373 k( 46) = ( 0.0000000 0.4125527 0.6607599), wk = 0.0042373 k( 47) = ( 0.0000000 0.4368205 0.6607599), wk = 0.0042373 k( 48) = ( 0.0000000 0.4610883 0.6607599), wk = 0.0042373 k( 49) = ( 0.0000000 0.4853561 0.6607599), wk = 0.0042373 k( 50) = ( 0.0000000 0.5096239 0.6607599), wk = 0.0042373 k( 51) = ( 0.0000000 0.5338917 0.6607599), wk = 0.0042373 k( 52) = ( 0.0000000 0.5581595 0.6607599), wk = 0.0042373 k( 53) = ( 0.0000000 0.5824273 0.6607599), wk = 0.0042373 k( 54) = ( 0.0000000 0.5824273 0.6607599), wk = 0.0042373 k( 55) = ( 0.0000000 0.5923734 0.6387420), wk = 0.0042373 k( 56) = ( 0.0000000 0.6023195 0.6167241), wk = 0.0042373 k( 57) = ( 0.0000000 0.6122655 0.5947063), wk = 0.0042373 k( 58) = ( 0.0000000 0.6222116 0.5726884), wk = 0.0042373 k( 59) = ( 0.0000000 0.6321577 0.5506706), wk = 0.0042373 k( 60) = ( 0.0000000 0.6421037 0.5286528), wk = 0.0042373 k( 61) = ( 0.0000000 0.6520498 0.5066349), wk = 0.0042373 k( 62) = ( 0.0000000 0.6619959 0.4846170), wk = 0.0042373 k( 63) = ( 0.0000000 0.6719419 0.4625992), wk = 0.0042373 k( 64) = ( 0.0000000 0.6818880 0.4405813), wk = 0.0042373 k( 65) = ( 0.0000000 0.6918341 0.4185635), wk = 0.0042373 k( 66) = ( 0.0000000 0.7017801 0.3965456), wk = 0.0042373 k( 67) = ( 0.0000000 0.7117262 0.3745278), wk = 0.0042373 k( 68) = ( 0.0000000 0.7216723 0.3525099), wk = 0.0042373 k( 69) = ( 0.0000000 0.7316183 0.3304921), wk = 0.0042373 k( 70) = ( 0.0000000 0.7316183 0.3304921), wk = 0.0042373 k( 71) = ( 0.0238095 0.7316183 0.3304921), wk = 0.0042373 k( 72) = ( 0.0476191 0.7316183 0.3304921), wk = 0.0042373 k( 73) = ( 0.0714286 0.7316183 0.3304921), wk = 0.0042373 k( 74) = ( 0.0952381 0.7316183 0.3304921), wk = 0.0042373 k( 75) = ( 0.1190476 0.7316183 0.3304921), wk = 0.0042373 k( 76) = ( 0.1428571 0.7316183 0.3304921), wk = 0.0042373 k( 77) = ( 0.1666667 0.7316183 0.3304921), wk = 0.0042373 k( 78) = ( 0.1904762 0.7316183 0.3304921), wk = 0.0042373 k( 79) = ( 0.2142857 0.7316183 0.3304921), wk = 0.0042373 k( 80) = ( 0.2380952 0.7316183 0.3304921), wk = 0.0042373 k( 81) = ( 0.2619048 0.7316183 0.3304921), wk = 0.0042373 k( 82) = ( 0.2857143 0.7316183 0.3304921), wk = 0.0042373 k( 83) = ( 0.3095238 0.7316183 0.3304921), wk = 0.0042373 k( 84) = ( 0.3333333 0.7316183 0.3304921), wk = 0.0042373 k( 85) = ( 0.3571429 0.7316183 0.3304921), wk = 0.0042373 k( 86) = ( 0.3809524 0.7316183 0.3304921), wk = 0.0042373 k( 87) = ( 0.4047619 0.7316183 0.3304921), wk = 0.0042373 k( 88) = ( 0.4285714 0.7316183 0.3304921), wk = 0.0042373 k( 89) = ( 0.4523810 0.7316183 0.3304921), wk = 0.0042373 k( 90) = ( 0.4761905 0.7316183 0.3304921), wk = 0.0042373 k( 91) = ( 0.5000000 0.7316183 0.3304921), wk = 0.0042373 k( 92) = ( 0.5000000 0.7316183 0.3304921), wk = 0.0042373 k( 93) = ( 0.5000000 0.7415644 0.3084742), wk = 0.0042373 k( 94) = ( 0.5000000 0.7515105 0.2864564), wk = 0.0042373 k( 95) = ( 0.5000000 0.7614565 0.2644385), wk = 0.0042373 k( 96) = ( 0.5000000 0.7714026 0.2424207), wk = 0.0042373 k( 97) = ( 0.5000000 0.7813487 0.2204028), wk = 0.0042373 k( 98) = ( 0.5000000 0.7912947 0.1983850), wk = 0.0042373 k( 99) = ( 0.5000000 0.8012408 0.1763671), wk = 0.0042373 k( 100) = ( 0.5000000 0.8111869 0.1543493), wk = 0.0042373 k( 101) = ( 0.5000000 0.8211330 0.1323314), wk = 0.0042373 k( 102) = ( 0.5000000 0.8310790 0.1103136), wk = 0.0042373 k( 103) = ( 0.5000000 0.8410251 0.0882957), wk = 0.0042373 k( 104) = ( 0.5000000 0.8509712 0.0662779), wk = 0.0042373 k( 105) = ( 0.5000000 0.8609172 0.0442600), wk = 0.0042373 k( 106) = ( 0.5000000 0.8708633 0.0222422), wk = 0.0042373 k( 107) = ( 0.5000000 0.8808094 0.0002243), wk = 0.0042373 k( 108) = ( 0.5000000 0.8808094 0.0002243), wk = 0.0042373 k( 109) = ( 0.5000000 0.8708633 -0.0218085), wk = 0.0042373 k( 110) = ( 0.5000000 0.8609172 -0.0438413), wk = 0.0042373 k( 111) = ( 0.5000000 0.8509712 -0.0658741), wk = 0.0042373 k( 112) = ( 0.5000000 0.8410251 -0.0879069), wk = 0.0042373 k( 113) = ( 0.5000000 0.8310790 -0.1099397), wk = 0.0042373 k( 114) = ( 0.5000000 0.8211330 -0.1319725), wk = 0.0042373 k( 115) = ( 0.5000000 0.8111869 -0.1540053), wk = 0.0042373 k( 116) = ( 0.5000000 0.8012408 -0.1760381), wk = 0.0042373 k( 117) = ( 0.5000000 0.7912947 -0.1980710), wk = 0.0042373 k( 118) = ( 0.5000000 0.7813487 -0.2201038), wk = 0.0042373 k( 119) = ( 0.5000000 0.7714026 -0.2421366), wk = 0.0042373 k( 120) = ( 0.5000000 0.7614565 -0.2641694), wk = 0.0042373 k( 121) = ( 0.5000000 0.7515105 -0.2862022), wk = 0.0042373 k( 122) = ( 0.5000000 0.7415644 -0.3082350), wk = 0.0042373 k( 123) = ( 0.5000000 0.7316183 -0.3302678), wk = 0.0042373 k( 124) = ( 0.5000000 0.7316183 -0.3302678), wk = 0.0042373 k( 125) = ( 0.4761905 0.7316183 -0.3302678), wk = 0.0042373 k( 126) = ( 0.4523810 0.7316183 -0.3302678), wk = 0.0042373 k( 127) = ( 0.4285714 0.7316183 -0.3302678), wk = 0.0042373 k( 128) = ( 0.4047619 0.7316183 -0.3302678), wk = 0.0042373 k( 129) = ( 0.3809524 0.7316183 -0.3302678), wk = 0.0042373 k( 130) = ( 0.3571429 0.7316183 -0.3302678), wk = 0.0042373 k( 131) = ( 0.3333333 0.7316183 -0.3302678), wk = 0.0042373 k( 132) = ( 0.3095238 0.7316183 -0.3302678), wk = 0.0042373 k( 133) = ( 0.2857143 0.7316183 -0.3302678), wk = 0.0042373 k( 134) = ( 0.2619048 0.7316183 -0.3302678), wk = 0.0042373 k( 135) = ( 0.2380952 0.7316183 -0.3302678), wk = 0.0042373 k( 136) = ( 0.2142857 0.7316183 -0.3302678), wk = 0.0042373 k( 137) = ( 0.1904762 0.7316183 -0.3302678), wk = 0.0042373 k( 138) = ( 0.1666667 0.7316183 -0.3302678), wk = 0.0042373 k( 139) = ( 0.1428571 0.7316183 -0.3302678), wk = 0.0042373 k( 140) = ( 0.1190476 0.7316183 -0.3302678), wk = 0.0042373 k( 141) = ( 0.0952381 0.7316183 -0.3302678), wk = 0.0042373 k( 142) = ( 0.0714286 0.7316183 -0.3302678), wk = 0.0042373 k( 143) = ( 0.0476191 0.7316183 -0.3302678), wk = 0.0042373 k( 144) = ( 0.0238095 0.7316183 -0.3302678), wk = 0.0042373 k( 145) = ( 0.0000000 0.7316183 -0.3302678), wk = 0.0042373 k( 146) = ( 0.0000000 0.7316183 -0.3302678), wk = 0.0042373 k( 147) = ( 0.0000000 0.7415644 -0.3082350), wk = 0.0042373 k( 148) = ( 0.0000000 0.7515105 -0.2862022), wk = 0.0042373 k( 149) = ( 0.0000000 0.7614565 -0.2641694), wk = 0.0042373 k( 150) = ( 0.0000000 0.7714026 -0.2421366), wk = 0.0042373 k( 151) = ( 0.0000000 0.7813487 -0.2201038), wk = 0.0042373 k( 152) = ( 0.0000000 0.7912947 -0.1980710), wk = 0.0042373 k( 153) = ( 0.0000000 0.8012408 -0.1760381), wk = 0.0042373 k( 154) = ( 0.0000000 0.8111869 -0.1540053), wk = 0.0042373 k( 155) = ( 0.0000000 0.8211330 -0.1319725), wk = 0.0042373 k( 156) = ( 0.0000000 0.8310790 -0.1099397), wk = 0.0042373 k( 157) = ( 0.0000000 0.8410251 -0.0879069), wk = 0.0042373 k( 158) = ( 0.0000000 0.8509712 -0.0658741), wk = 0.0042373 k( 159) = ( 0.0000000 0.8609172 -0.0438413), wk = 0.0042373 k( 160) = ( 0.0000000 0.8708633 -0.0218085), wk = 0.0042373 k( 161) = ( 0.0000000 0.8808094 0.0002243), wk = 0.0042373 k( 162) = ( 0.5000000 0.5824273 0.6607599), wk = 0.0042373 k( 163) = ( 0.5000000 0.5581595 0.6607599), wk = 0.0042373 k( 164) = ( 0.5000000 0.5338917 0.6607599), wk = 0.0042373 k( 165) = ( 0.5000000 0.5096239 0.6607599), wk = 0.0042373 k( 166) = ( 0.5000000 0.4853561 0.6607599), wk = 0.0042373 k( 167) = ( 0.5000000 0.4610883 0.6607599), wk = 0.0042373 k( 168) = ( 0.5000000 0.4368205 0.6607599), wk = 0.0042373 k( 169) = ( 0.5000000 0.4125527 0.6607599), wk = 0.0042373 k( 170) = ( 0.5000000 0.3882849 0.6607599), wk = 0.0042373 k( 171) = ( 0.5000000 0.3640171 0.6607599), wk = 0.0042373 k( 172) = ( 0.5000000 0.3397493 0.6607599), wk = 0.0042373 k( 173) = ( 0.5000000 0.3154815 0.6607599), wk = 0.0042373 k( 174) = ( 0.5000000 0.2912137 0.6607599), wk = 0.0042373 k( 175) = ( 0.5000000 0.2669459 0.6607599), wk = 0.0042373 k( 176) = ( 0.5000000 0.2426781 0.6607599), wk = 0.0042373 k( 177) = ( 0.5000000 0.2184102 0.6607599), wk = 0.0042373 k( 178) = ( 0.5000000 0.1941424 0.6607599), wk = 0.0042373 k( 179) = ( 0.5000000 0.1698746 0.6607599), wk = 0.0042373 k( 180) = ( 0.5000000 0.1456068 0.6607599), wk = 0.0042373 k( 181) = ( 0.5000000 0.1213390 0.6607599), wk = 0.0042373 k( 182) = ( 0.5000000 0.0970712 0.6607599), wk = 0.0042373 k( 183) = ( 0.5000000 0.0728034 0.6607599), wk = 0.0042373 k( 184) = ( 0.5000000 0.0485356 0.6607599), wk = 0.0042373 k( 185) = ( 0.5000000 0.0242678 0.6607599), wk = 0.0042373 k( 186) = ( 0.5000000 -0.0000000 0.6607599), wk = 0.0042373 k( 187) = ( 0.5000000 -0.0000000 0.6607599), wk = 0.0042373 k( 188) = ( 0.5000000 -0.0000000 0.6362873), wk = 0.0042373 k( 189) = ( 0.5000000 -0.0000000 0.6118147), wk = 0.0042373 k( 190) = ( 0.5000000 -0.0000000 0.5873421), wk = 0.0042373 k( 191) = ( 0.5000000 -0.0000000 0.5628695), wk = 0.0042373 k( 192) = ( 0.5000000 -0.0000000 0.5383969), wk = 0.0042373 k( 193) = ( 0.5000000 -0.0000000 0.5139243), wk = 0.0042373 k( 194) = ( 0.5000000 -0.0000000 0.4894517), wk = 0.0042373 k( 195) = ( 0.5000000 -0.0000000 0.4649792), wk = 0.0042373 k( 196) = ( 0.5000000 -0.0000000 0.4405066), wk = 0.0042373 k( 197) = ( 0.5000000 -0.0000000 0.4160340), wk = 0.0042373 k( 198) = ( 0.5000000 -0.0000000 0.3915614), wk = 0.0042373 k( 199) = ( 0.5000000 -0.0000000 0.3670888), wk = 0.0042373 k( 200) = ( 0.5000000 -0.0000000 0.3426162), wk = 0.0042373 k( 201) = ( 0.5000000 -0.0000000 0.3181436), wk = 0.0042373 k( 202) = ( 0.5000000 -0.0000000 0.2936710), wk = 0.0042373 k( 203) = ( 0.5000000 -0.0000000 0.2691985), wk = 0.0042373 k( 204) = ( 0.5000000 -0.0000000 0.2447259), wk = 0.0042373 k( 205) = ( 0.5000000 -0.0000000 0.2202533), wk = 0.0042373 k( 206) = ( 0.5000000 -0.0000000 0.1957807), wk = 0.0042373 k( 207) = ( 0.5000000 -0.0000000 0.1713081), wk = 0.0042373 k( 208) = ( 0.5000000 -0.0000000 0.1468355), wk = 0.0042373 k( 209) = ( 0.5000000 -0.0000000 0.1223629), wk = 0.0042373 k( 210) = ( 0.5000000 -0.0000000 0.0978903), wk = 0.0042373 k( 211) = ( 0.5000000 -0.0000000 0.0734178), wk = 0.0042373 k( 212) = ( 0.5000000 -0.0000000 0.0489452), wk = 0.0042373 k( 213) = ( 0.5000000 -0.0000000 0.0244726), wk = 0.0042373 k( 214) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0042373 k( 215) = ( 0.0000000 0.0000000 0.6607599), wk = 0.0042373 k( 216) = ( 0.0238095 -0.0000000 0.6607599), wk = 0.0042373 k( 217) = ( 0.0476191 -0.0000000 0.6607599), wk = 0.0042373 k( 218) = ( 0.0714286 -0.0000000 0.6607599), wk = 0.0042373 k( 219) = ( 0.0952381 -0.0000000 0.6607599), wk = 0.0042373 k( 220) = ( 0.1190476 -0.0000000 0.6607599), wk = 0.0042373 k( 221) = ( 0.1428571 -0.0000000 0.6607599), wk = 0.0042373 k( 222) = ( 0.1666667 -0.0000000 0.6607599), wk = 0.0042373 k( 223) = ( 0.1904762 -0.0000000 0.6607599), wk = 0.0042373 k( 224) = ( 0.2142857 -0.0000000 0.6607599), wk = 0.0042373 k( 225) = ( 0.2380952 -0.0000000 0.6607599), wk = 0.0042373 k( 226) = ( 0.2619048 -0.0000000 0.6607599), wk = 0.0042373 k( 227) = ( 0.2857143 -0.0000000 0.6607599), wk = 0.0042373 k( 228) = ( 0.3095238 -0.0000000 0.6607599), wk = 0.0042373 k( 229) = ( 0.3333333 -0.0000000 0.6607599), wk = 0.0042373 k( 230) = ( 0.3571429 -0.0000000 0.6607599), wk = 0.0042373 k( 231) = ( 0.3809524 -0.0000000 0.6607599), wk = 0.0042373 k( 232) = ( 0.4047619 -0.0000000 0.6607599), wk = 0.0042373 k( 233) = ( 0.4285714 -0.0000000 0.6607599), wk = 0.0042373 k( 234) = ( 0.4523810 -0.0000000 0.6607599), wk = 0.0042373 k( 235) = ( 0.4761905 -0.0000000 0.6607599), wk = 0.0042373 k( 236) = ( 0.5000000 -0.0000000 0.6607599), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0042373 k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0042373 k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0042373 k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0042373 k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0042373 k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0042373 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 30) = ( 0.0000000 0.0165850 0.5082897), wk = 0.0042373 k( 31) = ( 0.0000000 0.0331700 0.5165794), wk = 0.0042373 k( 32) = ( 0.0000000 0.0497551 0.5248691), wk = 0.0042373 k( 33) = ( 0.0000000 0.0663401 0.5331588), wk = 0.0042373 k( 34) = ( 0.0000000 0.0829251 0.5414485), wk = 0.0042373 k( 35) = ( 0.0000000 0.0995101 0.5497382), wk = 0.0042373 k( 36) = ( 0.0000000 0.1160951 0.5580278), wk = 0.0042373 k( 37) = ( 0.0000000 0.1326801 0.5663175), wk = 0.0042373 k( 38) = ( 0.0000000 0.1492652 0.5746072), wk = 0.0042373 k( 39) = ( 0.0000000 0.1658502 0.5828969), wk = 0.0042373 k( 40) = ( 0.0000000 0.1824352 0.5911866), wk = 0.0042373 k( 41) = ( 0.0000000 0.1990202 0.5994763), wk = 0.0042373 k( 42) = ( 0.0000000 0.2156052 0.6077660), wk = 0.0042373 k( 43) = ( 0.0000000 0.2321902 0.6160557), wk = 0.0042373 k( 44) = ( 0.0000000 0.2487752 0.6243454), wk = 0.0042373 k( 45) = ( 0.0000000 0.2653603 0.6326351), wk = 0.0042373 k( 46) = ( 0.0000000 0.2819453 0.6409248), wk = 0.0042373 k( 47) = ( 0.0000000 0.2985303 0.6492145), wk = 0.0042373 k( 48) = ( 0.0000000 0.3151153 0.6575042), wk = 0.0042373 k( 49) = ( 0.0000000 0.3317003 0.6657939), wk = 0.0042373 k( 50) = ( 0.0000000 0.3482853 0.6740836), wk = 0.0042373 k( 51) = ( 0.0000000 0.3648704 0.6823733), wk = 0.0042373 k( 52) = ( 0.0000000 0.3814554 0.6906629), wk = 0.0042373 k( 53) = ( 0.0000000 0.3980404 0.6989526), wk = 0.0042373 k( 54) = ( 0.0000000 0.3980404 0.6989526), wk = 0.0042373 k( 55) = ( 0.0000000 0.4048377 0.6856891), wk = 0.0042373 k( 56) = ( 0.0000000 0.4116350 0.6724256), wk = 0.0042373 k( 57) = ( 0.0000000 0.4184323 0.6591621), wk = 0.0042373 k( 58) = ( 0.0000000 0.4252296 0.6458986), wk = 0.0042373 k( 59) = ( 0.0000000 0.4320269 0.6326351), wk = 0.0042373 k( 60) = ( 0.0000000 0.4388242 0.6193716), wk = 0.0042373 k( 61) = ( 0.0000000 0.4456215 0.6061081), wk = 0.0042373 k( 62) = ( 0.0000000 0.4524189 0.5928446), wk = 0.0042373 k( 63) = ( 0.0000000 0.4592162 0.5795811), wk = 0.0042373 k( 64) = ( 0.0000000 0.4660135 0.5663175), wk = 0.0042373 k( 65) = ( 0.0000000 0.4728108 0.5530540), wk = 0.0042373 k( 66) = ( 0.0000000 0.4796081 0.5397905), wk = 0.0042373 k( 67) = ( 0.0000000 0.4864054 0.5265270), wk = 0.0042373 k( 68) = ( 0.0000000 0.4932027 0.5132635), wk = 0.0042373 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 71) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0042373 k( 72) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0042373 k( 73) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0042373 k( 74) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0042373 k( 75) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0042373 k( 76) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0042373 k( 77) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0042373 k( 78) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0042373 k( 79) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0042373 k( 80) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0042373 k( 81) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0042373 k( 82) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0042373 k( 83) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0042373 k( 84) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0042373 k( 85) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0042373 k( 86) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0042373 k( 87) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0042373 k( 88) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0042373 k( 89) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0042373 k( 90) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0042373 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 93) = ( 0.5000000 0.5067973 0.4867365), wk = 0.0042373 k( 94) = ( 0.5000000 0.5135946 0.4734730), wk = 0.0042373 k( 95) = ( 0.5000000 0.5203919 0.4602095), wk = 0.0042373 k( 96) = ( 0.5000000 0.5271892 0.4469460), wk = 0.0042373 k( 97) = ( 0.5000000 0.5339865 0.4336824), wk = 0.0042373 k( 98) = ( 0.5000000 0.5407838 0.4204189), wk = 0.0042373 k( 99) = ( 0.5000000 0.5475811 0.4071554), wk = 0.0042373 k( 100) = ( 0.5000000 0.5543784 0.3938919), wk = 0.0042373 k( 101) = ( 0.5000000 0.5611758 0.3806284), wk = 0.0042373 k( 102) = ( 0.5000000 0.5679731 0.3673649), wk = 0.0042373 k( 103) = ( 0.5000000 0.5747704 0.3541014), wk = 0.0042373 k( 104) = ( 0.5000000 0.5815677 0.3408379), wk = 0.0042373 k( 105) = ( 0.5000000 0.5883650 0.3275744), wk = 0.0042373 k( 106) = ( 0.5000000 0.5951623 0.3143109), wk = 0.0042373 k( 107) = ( 0.5000000 0.6019596 0.3010474), wk = 0.0042373 k( 108) = ( 0.5000000 0.6019596 0.3010474), wk = 0.0042373 k( 109) = ( 0.5000000 0.5951623 0.2809775), wk = 0.0042373 k( 110) = ( 0.5000000 0.5883650 0.2609077), wk = 0.0042373 k( 111) = ( 0.5000000 0.5815677 0.2408379), wk = 0.0042373 k( 112) = ( 0.5000000 0.5747704 0.2207681), wk = 0.0042373 k( 113) = ( 0.5000000 0.5679731 0.2006982), wk = 0.0042373 k( 114) = ( 0.5000000 0.5611758 0.1806284), wk = 0.0042373 k( 115) = ( 0.5000000 0.5543784 0.1605586), wk = 0.0042373 k( 116) = ( 0.5000000 0.5475811 0.1404888), wk = 0.0042373 k( 117) = ( 0.5000000 0.5407838 0.1204189), wk = 0.0042373 k( 118) = ( 0.5000000 0.5339865 0.1003491), wk = 0.0042373 k( 119) = ( 0.5000000 0.5271892 0.0802793), wk = 0.0042373 k( 120) = ( 0.5000000 0.5203919 0.0602095), wk = 0.0042373 k( 121) = ( 0.5000000 0.5135946 0.0401396), wk = 0.0042373 k( 122) = ( 0.5000000 0.5067973 0.0200698), wk = 0.0042373 k( 123) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 124) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 125) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0042373 k( 126) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0042373 k( 127) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0042373 k( 128) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0042373 k( 129) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0042373 k( 130) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0042373 k( 131) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0042373 k( 132) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0042373 k( 133) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0042373 k( 134) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0042373 k( 135) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0042373 k( 136) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0042373 k( 137) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0042373 k( 138) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0042373 k( 139) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0042373 k( 140) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0042373 k( 141) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0042373 k( 142) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0042373 k( 143) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0042373 k( 144) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0042373 k( 145) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 146) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 147) = ( 0.0000000 0.5067973 0.0200698), wk = 0.0042373 k( 148) = ( 0.0000000 0.5135946 0.0401396), wk = 0.0042373 k( 149) = ( 0.0000000 0.5203919 0.0602095), wk = 0.0042373 k( 150) = ( 0.0000000 0.5271892 0.0802793), wk = 0.0042373 k( 151) = ( 0.0000000 0.5339865 0.1003491), wk = 0.0042373 k( 152) = ( 0.0000000 0.5407838 0.1204189), wk = 0.0042373 k( 153) = ( 0.0000000 0.5475811 0.1404888), wk = 0.0042373 k( 154) = ( 0.0000000 0.5543784 0.1605586), wk = 0.0042373 k( 155) = ( 0.0000000 0.5611758 0.1806284), wk = 0.0042373 k( 156) = ( 0.0000000 0.5679731 0.2006982), wk = 0.0042373 k( 157) = ( 0.0000000 0.5747704 0.2207681), wk = 0.0042373 k( 158) = ( 0.0000000 0.5815677 0.2408379), wk = 0.0042373 k( 159) = ( 0.0000000 0.5883650 0.2609077), wk = 0.0042373 k( 160) = ( 0.0000000 0.5951623 0.2809775), wk = 0.0042373 k( 161) = ( 0.0000000 0.6019596 0.3010474), wk = 0.0042373 k( 162) = ( 0.5000000 0.3980404 0.6989526), wk = 0.0042373 k( 163) = ( 0.5000000 0.3814554 0.6906629), wk = 0.0042373 k( 164) = ( 0.5000000 0.3648704 0.6823733), wk = 0.0042373 k( 165) = ( 0.5000000 0.3482854 0.6740836), wk = 0.0042373 k( 166) = ( 0.5000000 0.3317003 0.6657939), wk = 0.0042373 k( 167) = ( 0.5000000 0.3151153 0.6575042), wk = 0.0042373 k( 168) = ( 0.5000000 0.2985303 0.6492145), wk = 0.0042373 k( 169) = ( 0.5000000 0.2819453 0.6409248), wk = 0.0042373 k( 170) = ( 0.5000000 0.2653603 0.6326351), wk = 0.0042373 k( 171) = ( 0.5000000 0.2487752 0.6243454), wk = 0.0042373 k( 172) = ( 0.5000000 0.2321902 0.6160557), wk = 0.0042373 k( 173) = ( 0.5000000 0.2156052 0.6077660), wk = 0.0042373 k( 174) = ( 0.5000000 0.1990202 0.5994763), wk = 0.0042373 k( 175) = ( 0.5000000 0.1824352 0.5911866), wk = 0.0042373 k( 176) = ( 0.5000000 0.1658502 0.5828969), wk = 0.0042373 k( 177) = ( 0.5000000 0.1492652 0.5746072), wk = 0.0042373 k( 178) = ( 0.5000000 0.1326801 0.5663175), wk = 0.0042373 k( 179) = ( 0.5000000 0.1160951 0.5580278), wk = 0.0042373 k( 180) = ( 0.5000000 0.0995101 0.5497382), wk = 0.0042373 k( 181) = ( 0.5000000 0.0829251 0.5414485), wk = 0.0042373 k( 182) = ( 0.5000000 0.0663401 0.5331588), wk = 0.0042373 k( 183) = ( 0.5000000 0.0497551 0.5248691), wk = 0.0042373 k( 184) = ( 0.5000000 0.0331700 0.5165794), wk = 0.0042373 k( 185) = ( 0.5000000 0.0165850 0.5082897), wk = 0.0042373 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 188) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0042373 k( 189) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0042373 k( 190) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0042373 k( 191) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0042373 k( 192) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0042373 k( 193) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0042373 k( 194) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0042373 k( 195) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0042373 k( 196) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0042373 k( 197) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0042373 k( 198) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0042373 k( 199) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0042373 k( 200) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0042373 k( 201) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0042373 k( 202) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0042373 k( 203) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0042373 k( 204) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0042373 k( 205) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0042373 k( 206) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0042373 k( 207) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0042373 k( 208) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0042373 k( 209) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0042373 k( 210) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0042373 k( 211) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0042373 k( 212) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0042373 k( 213) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0042373 k( 214) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 216) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0042373 k( 217) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0042373 k( 218) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0042373 k( 219) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0042373 k( 220) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0042373 k( 221) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0042373 k( 222) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0042373 k( 223) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0042373 k( 224) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0042373 k( 225) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0042373 k( 226) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0042373 k( 227) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0042373 k( 228) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0042373 k( 229) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0042373 k( 230) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0042373 k( 231) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0042373 k( 232) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0042373 k( 233) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0042373 k( 234) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0042373 k( 235) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0042373 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 Dense grid: 166785 G-vectors FFT dimensions: ( 90, 60, 72) Smooth grid: 70395 G-vectors FFT dimensions: ( 64, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.67 Mb ( 514, 86) NL pseudopotentials 0.85 Mb ( 257, 216) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.04 Mb ( 4635) G-vector shells 0.03 Mb ( 4500) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.70 Mb ( 514, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.57 Mb ( 216, 2, 86) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./H5C4N3.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.7 secs Computing kpt #: 9 total cpu time spent up to now is 16.3 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.2 secs Computing kpt #: 12 total cpu time spent up to now is 20.9 secs Computing kpt #: 13 total cpu time spent up to now is 22.4 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.5 secs Computing kpt #: 16 total cpu time spent up to now is 27.0 secs Computing kpt #: 17 total cpu time spent up to now is 28.5 secs Computing kpt #: 18 total cpu time spent up to now is 30.0 secs Computing kpt #: 19 total cpu time spent up to now is 31.5 secs Computing kpt #: 20 total cpu time spent up to now is 32.9 secs Computing kpt #: 21 total cpu time spent up to now is 34.8 secs Computing kpt #: 22 total cpu time spent up to now is 36.2 secs Computing kpt #: 23 total cpu time spent up to now is 37.7 secs Computing kpt #: 24 total cpu time spent up to now is 39.1 secs Computing kpt #: 25 total cpu time spent up to now is 40.5 secs Computing kpt #: 26 total cpu time spent up to now is 41.9 secs Computing kpt #: 27 total cpu time spent up to now is 43.3 secs Computing kpt #: 28 total cpu time spent up to now is 44.7 secs Computing kpt #: 29 total cpu time spent up to now is 46.1 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 48.8 secs Computing kpt #: 32 total cpu time spent up to now is 50.2 secs Computing kpt #: 33 total cpu time spent up to now is 51.6 secs Computing kpt #: 34 total cpu time spent up to now is 53.0 secs Computing kpt #: 35 total cpu time spent up to now is 54.4 secs Computing kpt #: 36 total cpu time spent up to now is 55.8 secs Computing kpt #: 37 total cpu time spent up to now is 57.1 secs Computing kpt #: 38 total cpu time spent up to now is 58.5 secs Computing kpt #: 39 total cpu time spent up to now is 59.9 secs Computing kpt #: 40 total cpu time spent up to now is 61.2 secs Computing kpt #: 41 total cpu time spent up to now is 62.5 secs Computing kpt #: 42 total cpu time spent up to now is 63.9 secs Computing kpt #: 43 total cpu time spent up to now is 65.2 secs Computing kpt #: 44 total cpu time spent up to now is 66.6 secs Computing kpt #: 45 total cpu time spent up to now is 67.9 secs Computing kpt #: 46 total cpu time spent up to now is 69.3 secs Computing kpt #: 47 total cpu time spent up to now is 70.6 secs Computing kpt #: 48 total cpu time spent up to now is 71.9 secs Computing kpt #: 49 total cpu time spent up to now is 73.2 secs Computing kpt #: 50 total cpu time spent up to now is 74.6 secs Computing kpt #: 51 total cpu time spent up to now is 75.9 secs Computing kpt #: 52 total cpu time spent up to now is 77.2 secs Computing kpt #: 53 total cpu time spent up to now is 78.6 secs Computing kpt #: 54 total cpu time spent up to now is 79.9 secs Computing kpt #: 55 total cpu time spent up to now is 81.2 secs Computing kpt #: 56 total cpu time spent up to now is 82.5 secs Computing kpt #: 57 total cpu time spent up to now is 84.2 secs Computing kpt #: 58 total cpu time spent up to now is 85.9 secs Computing kpt #: 59 total cpu time spent up to now is 87.2 secs Computing kpt #: 60 total cpu time spent up to now is 88.6 secs Computing kpt #: 61 total cpu time spent up to now is 89.9 secs Computing kpt #: 62 total cpu time spent up to now is 91.2 secs Computing kpt #: 63 total cpu time spent up to now is 92.7 secs Computing kpt #: 64 total cpu time spent up to now is 94.1 secs Computing kpt #: 65 total cpu time spent up to now is 95.5 secs Computing kpt #: 66 total cpu time spent up to now is 96.9 secs Computing kpt #: 67 total cpu time spent up to now is 98.3 secs Computing kpt #: 68 total cpu time spent up to now is 99.8 secs Computing kpt #: 69 total cpu time spent up to now is 101.3 secs Computing kpt #: 70 total cpu time spent up to now is 102.7 secs Computing kpt #: 71 total cpu time spent up to now is 104.2 secs Computing kpt #: 72 total cpu time spent up to now is 105.6 secs Computing kpt #: 73 total cpu time spent up to now is 107.0 secs Computing kpt #: 74 total cpu time spent up to now is 108.5 secs Computing kpt #: 75 total cpu time spent up to now is 110.0 secs Computing kpt #: 76 total cpu time spent up to now is 111.5 secs Computing kpt #: 77 total cpu time spent up to now is 113.0 secs Computing kpt #: 78 total cpu time spent up to now is 114.4 secs Computing kpt #: 79 total cpu time spent up to now is 115.9 secs Computing kpt #: 80 total cpu time spent up to now is 117.4 secs Computing kpt #: 81 total cpu time spent up to now is 119.1 secs Computing kpt #: 82 total cpu time spent up to now is 120.6 secs Computing kpt #: 83 total cpu time spent up to now is 122.1 secs Computing kpt #: 84 total cpu time spent up to now is 123.6 secs Computing kpt #: 85 total cpu time spent up to now is 125.3 secs Computing kpt #: 86 total cpu time spent up to now is 126.8 secs Computing kpt #: 87 total cpu time spent up to now is 128.4 secs Computing kpt #: 88 total cpu time spent up to now is 130.1 secs Computing kpt #: 89 total cpu time spent up to now is 131.7 secs Computing kpt #: 90 total cpu time spent up to now is 133.4 secs Computing kpt #: 91 total cpu time spent up to now is 135.2 secs Computing kpt #: 92 total cpu time spent up to now is 136.9 secs Computing kpt #: 93 total cpu time spent up to now is 138.6 secs Computing kpt #: 94 total cpu time spent up to now is 140.4 secs Computing kpt #: 95 total cpu time spent up to now is 142.1 secs Computing kpt #: 96 total cpu time spent up to now is 143.8 secs Computing kpt #: 97 total cpu time spent up to now is 145.5 secs Computing kpt #: 98 total cpu time spent up to now is 147.2 secs Computing kpt #: 99 total cpu time spent up to now is 148.9 secs Computing kpt #: 100 total cpu time spent up to now is 150.6 secs Computing kpt #: 101 total cpu time spent up to now is 152.4 secs Computing kpt #: 102 total cpu time spent up to now is 154.1 secs Computing kpt #: 103 total cpu time spent up to now is 155.8 secs Computing kpt #: 104 total cpu time spent up to now is 157.4 secs Computing kpt #: 105 total cpu time spent up to now is 159.1 secs Computing kpt #: 106 total cpu time spent up to now is 160.8 secs Computing kpt #: 107 total cpu time spent up to now is 162.4 secs Computing kpt #: 108 total cpu time spent up to now is 164.1 secs Computing kpt #: 109 total cpu time spent up to now is 165.8 secs Computing kpt #: 110 total cpu time spent up to now is 167.4 secs Computing kpt #: 111 total cpu time spent up to now is 169.1 secs Computing kpt #: 112 total cpu time spent up to now is 170.8 secs Computing kpt #: 113 total cpu time spent up to now is 172.5 secs Computing kpt #: 114 total cpu time spent up to now is 174.2 secs Computing kpt #: 115 total cpu time spent up to now is 175.9 secs Computing kpt #: 116 total cpu time spent up to now is 177.6 secs Computing kpt #: 117 total cpu time spent up to now is 179.4 secs Computing kpt #: 118 total cpu time spent up to now is 181.1 secs Computing kpt #: 119 total cpu time spent up to now is 182.8 secs Computing kpt #: 120 total cpu time spent up to now is 184.5 secs Computing kpt #: 121 total cpu time spent up to now is 186.2 secs Computing kpt #: 122 total cpu time spent up to now is 187.9 secs Computing kpt #: 123 total cpu time spent up to now is 189.6 secs Computing kpt #: 124 total cpu time spent up to now is 191.4 secs Computing kpt #: 125 total cpu time spent up to now is 193.0 secs Computing kpt #: 126 total cpu time spent up to now is 194.7 secs Computing kpt #: 127 total cpu time spent up to now is 196.3 secs Computing kpt #: 128 total cpu time spent up to now is 198.0 secs Computing kpt #: 129 total cpu time spent up to now is 199.7 secs Computing kpt #: 130 total cpu time spent up to now is 201.3 secs Computing kpt #: 131 total cpu time spent up to now is 203.0 secs Computing kpt #: 132 total cpu time spent up to now is 204.6 secs Computing kpt #: 133 total cpu time spent up to now is 206.0 secs Computing kpt #: 134 total cpu time spent up to now is 207.6 secs Computing kpt #: 135 total cpu time spent up to now is 209.2 secs Computing kpt #: 136 total cpu time spent up to now is 210.6 secs Computing kpt #: 137 total cpu time spent up to now is 212.1 secs Computing kpt #: 138 total cpu time spent up to now is 213.5 secs Computing kpt #: 139 total cpu time spent up to now is 215.0 secs Computing kpt #: 140 total cpu time spent up to now is 216.4 secs Computing kpt #: 141 total cpu time spent up to now is 217.8 secs Computing kpt #: 142 total cpu time spent up to now is 219.2 secs Computing kpt #: 143 total cpu time spent up to now is 220.6 secs Computing kpt #: 144 total cpu time spent up to now is 222.0 secs Computing kpt #: 145 total cpu time spent up to now is 223.5 secs Computing kpt #: 146 total cpu time spent up to now is 224.9 secs Computing kpt #: 147 total cpu time spent up to now is 226.4 secs Computing kpt #: 148 total cpu time spent up to now is 227.8 secs Computing kpt #: 149 total cpu time spent up to now is 229.3 secs Computing kpt #: 150 total cpu time spent up to now is 230.7 secs Computing kpt #: 151 total cpu time spent up to now is 232.1 secs Computing kpt #: 152 total cpu time spent up to now is 233.5 secs Computing kpt #: 153 total cpu time spent up to now is 234.8 secs Computing kpt #: 154 total cpu time spent up to now is 236.2 secs Computing kpt #: 155 total cpu time spent up to now is 237.5 secs Computing kpt #: 156 total cpu time spent up to now is 238.8 secs Computing kpt #: 157 total cpu time spent up to now is 240.2 secs Computing kpt #: 158 total cpu time spent up to now is 241.5 secs Computing kpt #: 159 total cpu time spent up to now is 242.9 secs Computing kpt #: 160 total cpu time spent up to now is 244.2 secs Computing kpt #: 161 total cpu time spent up to now is 245.5 secs Computing kpt #: 162 total cpu time spent up to now is 247.2 secs Computing kpt #: 163 total cpu time spent up to now is 248.9 secs Computing kpt #: 164 total cpu time spent up to now is 250.6 secs Computing kpt #: 165 total cpu time spent up to now is 252.3 secs Computing kpt #: 166 total cpu time spent up to now is 254.0 secs Computing kpt #: 167 total cpu time spent up to now is 255.7 secs Computing kpt #: 168 total cpu time spent up to now is 257.4 secs Computing kpt #: 169 total cpu time spent up to now is 259.0 secs Computing kpt #: 170 total cpu time spent up to now is 260.7 secs Computing kpt #: 171 total cpu time spent up to now is 262.4 secs Computing kpt #: 172 total cpu time spent up to now is 264.1 secs Computing kpt #: 173 total cpu time spent up to now is 265.8 secs Computing kpt #: 174 total cpu time spent up to now is 267.4 secs Computing kpt #: 175 total cpu time spent up to now is 269.1 secs Computing kpt #: 176 total cpu time spent up to now is 270.8 secs Computing kpt #: 177 total cpu time spent up to now is 272.4 secs Computing kpt #: 178 total cpu time spent up to now is 274.2 secs Computing kpt #: 179 total cpu time spent up to now is 275.9 secs Computing kpt #: 180 total cpu time spent up to now is 277.6 secs Computing kpt #: 181 total cpu time spent up to now is 279.3 secs Computing kpt #: 182 total cpu time spent up to now is 280.9 secs Computing kpt #: 183 total cpu time spent up to now is 282.6 secs Computing kpt #: 184 total cpu time spent up to now is 284.3 secs Computing kpt #: 185 total cpu time spent up to now is 286.0 secs Computing kpt #: 186 total cpu time spent up to now is 287.6 secs Computing kpt #: 187 total cpu time spent up to now is 289.3 secs Computing kpt #: 188 total cpu time spent up to now is 291.0 secs Computing kpt #: 189 total cpu time spent up to now is 292.7 secs Computing kpt #: 190 total cpu time spent up to now is 294.4 secs Computing kpt #: 191 total cpu time spent up to now is 296.1 secs Computing kpt #: 192 total cpu time spent up to now is 297.8 secs Computing kpt #: 193 total cpu time spent up to now is 299.5 secs Computing kpt #: 194 total cpu time spent up to now is 301.2 secs Computing kpt #: 195 total cpu time spent up to now is 302.9 secs Computing kpt #: 196 total cpu time spent up to now is 304.6 secs Computing kpt #: 197 total cpu time spent up to now is 306.3 secs Computing kpt #: 198 total cpu time spent up to now is 308.0 secs Computing kpt #: 199 total cpu time spent up to now is 309.7 secs Computing kpt #: 200 total cpu time spent up to now is 311.4 secs Computing kpt #: 201 total cpu time spent up to now is 313.1 secs Computing kpt #: 202 total cpu time spent up to now is 314.7 secs Computing kpt #: 203 total cpu time spent up to now is 316.4 secs Computing kpt #: 204 total cpu time spent up to now is 318.1 secs Computing kpt #: 205 total cpu time spent up to now is 319.7 secs Computing kpt #: 206 total cpu time spent up to now is 321.4 secs Computing kpt #: 207 total cpu time spent up to now is 323.1 secs Computing kpt #: 208 total cpu time spent up to now is 324.8 secs Computing kpt #: 209 total cpu time spent up to now is 326.5 secs Computing kpt #: 210 total cpu time spent up to now is 328.1 secs Computing kpt #: 211 total cpu time spent up to now is 329.9 secs Computing kpt #: 212 total cpu time spent up to now is 331.5 secs Computing kpt #: 213 total cpu time spent up to now is 333.3 secs Computing kpt #: 214 total cpu time spent up to now is 334.9 secs Computing kpt #: 215 total cpu time spent up to now is 336.3 secs Computing kpt #: 216 total cpu time spent up to now is 337.7 secs Computing kpt #: 217 total cpu time spent up to now is 339.1 secs Computing kpt #: 218 total cpu time spent up to now is 340.5 secs Computing kpt #: 219 total cpu time spent up to now is 341.9 secs Computing kpt #: 220 total cpu time spent up to now is 343.3 secs Computing kpt #: 221 total cpu time spent up to now is 345.1 secs Computing kpt #: 222 total cpu time spent up to now is 346.5 secs Computing kpt #: 223 total cpu time spent up to now is 347.9 secs Computing kpt #: 224 total cpu time spent up to now is 349.3 secs Computing kpt #: 225 total cpu time spent up to now is 350.7 secs Computing kpt #: 226 total cpu time spent up to now is 352.2 secs Computing kpt #: 227 total cpu time spent up to now is 353.5 secs Computing kpt #: 228 total cpu time spent up to now is 355.0 secs Computing kpt #: 229 total cpu time spent up to now is 356.4 secs Computing kpt #: 230 total cpu time spent up to now is 357.8 secs Computing kpt #: 231 total cpu time spent up to now is 359.2 secs Computing kpt #: 232 total cpu time spent up to now is 360.7 secs Computing kpt #: 233 total cpu time spent up to now is 362.3 secs Computing kpt #: 234 total cpu time spent up to now is 363.9 secs Computing kpt #: 235 total cpu time spent up to now is 365.5 secs Computing kpt #: 236 total cpu time spent up to now is 367.1 secs ethr = 1.39E-08, avg # of iterations = 21.0 total cpu time spent up to now is 367.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8765 PWs) bands (ev): -18.3971 -18.3971 -18.2826 -18.2826 -16.8983 -16.8983 -16.8812 -16.8812 -16.8479 -16.8479 -16.8439 -16.8439 -13.5979 -13.5979 -13.5509 -13.5509 -12.2793 -12.2793 -12.2024 -12.2024 -8.4321 -8.4321 -8.2237 -8.2237 -7.0678 -7.0678 -6.9546 -6.9546 -6.7820 -6.7820 -6.6677 -6.6677 -6.3831 -6.3831 -6.2365 -6.2365 -4.9205 -4.9205 -4.8590 -4.8590 -4.4887 -4.4887 -4.3365 -4.3365 -3.2072 -3.2072 -3.1747 -3.1747 -3.0474 -3.0474 -2.9084 -2.9084 -2.8914 -2.8914 -2.7689 -2.7689 -2.6848 -2.6848 -2.5300 -2.5300 -2.4079 -2.4079 -2.2919 -2.2919 -2.0651 -2.0651 -1.7935 -1.7935 -0.2813 -0.2813 -0.2092 -0.2092 5.0002 5.0002 5.0470 5.0470 5.5277 5.5277 5.5498 5.5498 5.5678 5.5678 6.1801 6.1801 6.1998 6.1998 k = 0.0000 0.0000 0.0245 ( 8771 PWs) bands (ev): -18.3971 -18.3971 -18.2826 -18.2826 -16.8983 -16.8983 -16.8820 -16.8820 -16.8478 -16.8478 -16.8433 -16.8433 -13.5979 -13.5979 -13.5510 -13.5510 -12.2793 -12.2793 -12.2024 -12.2024 -8.4321 -8.4321 -8.2238 -8.2238 -7.0677 -7.0677 -6.9545 -6.9545 -6.7812 -6.7812 -6.6676 -6.6676 -6.3829 -6.3829 -6.2364 -6.2363 -4.9204 -4.9203 -4.8593 -4.8592 -4.4896 -4.4896 -4.3383 -4.3381 -3.2095 -3.2094 -3.1743 -3.1742 -3.0452 -3.0452 -2.9174 -2.9169 -2.8831 -2.8826 -2.7681 -2.7679 -2.6853 -2.6853 -2.5296 -2.5294 -2.4080 -2.4076 -2.2920 -2.2917 -2.0649 -2.0649 -1.7944 -1.7943 -0.2814 -0.2814 -0.2093 -0.2093 4.9974 4.9979 5.0491 5.0496 5.5237 5.5242 5.5525 5.5531 5.5667 5.5675 6.1756 6.1772 6.2030 6.2036 k = 0.0000 0.0000 0.0489 ( 8787 PWs) bands (ev): -18.3969 -18.3969 -18.2826 -18.2826 -16.8985 -16.8985 -16.8840 -16.8840 -16.8477 -16.8477 -16.8416 -16.8416 -13.5977 -13.5977 -13.5514 -13.5514 -12.2791 -12.2791 -12.2025 -12.2025 -8.4319 -8.4319 -8.2239 -8.2239 -7.0673 -7.0673 -6.9542 -6.9542 -6.7788 -6.7788 -6.6671 -6.6670 -6.3825 -6.3824 -6.2358 -6.2358 -4.9200 -4.9196 -4.8601 -4.8600 -4.4924 -4.4923 -4.3433 -4.3429 -3.2159 -3.2158 -3.1731 -3.1729 -3.0390 -3.0390 -2.9313 -2.9308 -2.8694 -2.8688 -2.7657 -2.7652 -2.6868 -2.6866 -2.5281 -2.5276 -2.4080 -2.4071 -2.2920 -2.2914 -2.0642 -2.0642 -1.7971 -1.7968 -0.2817 -0.2817 -0.2095 -0.2095 4.9903 4.9913 5.0552 5.0561 5.5151 5.5158 5.5585 5.5594 5.5644 5.5661 6.1657 6.1683 6.2129 6.2142 k = 0.0000 0.0000 0.0734 ( 8787 PWs) bands (ev): -18.3965 -18.3965 -18.2824 -18.2824 -16.8988 -16.8988 -16.8871 -16.8871 -16.8476 -16.8476 -16.8392 -16.8392 -13.5973 -13.5973 -13.5520 -13.5520 -12.2787 -12.2787 -12.2025 -12.2025 -8.4315 -8.4315 -8.2242 -8.2242 -7.0666 -7.0666 -6.9537 -6.9537 -6.7750 -6.7749 -6.6662 -6.6661 -6.3817 -6.3816 -6.2349 -6.2349 -4.9192 -4.9186 -4.8614 -4.8612 -4.4970 -4.4969 -4.3514 -4.3509 -3.2256 -3.2254 -3.1710 -3.1707 -3.0297 -3.0297 -2.9459 -2.9453 -2.8553 -2.8546 -2.7617 -2.7610 -2.6891 -2.6888 -2.5256 -2.5249 -2.4078 -2.4065 -2.2918 -2.2909 -2.0630 -2.0629 -1.8016 -1.8011 -0.2822 -0.2821 -0.2098 -0.2098 4.9804 4.9816 5.0639 5.0650 5.5044 5.5051 5.5615 5.5629 5.5664 5.5666 6.1533 6.1564 6.2289 6.2308 k = 0.0000 0.0000 0.0979 ( 8784 PWs) bands (ev): -18.3960 -18.3960 -18.2823 -18.2823 -16.8993 -16.8993 -16.8909 -16.8909 -16.8474 -16.8473 -16.8362 -16.8362 -13.5969 -13.5969 -13.5528 -13.5528 -12.2782 -12.2782 -12.2026 -12.2026 -8.4310 -8.4310 -8.2245 -8.2245 -7.0657 -7.0657 -6.9531 -6.9531 -6.7695 -6.7694 -6.6650 -6.6649 -6.3806 -6.3805 -6.2337 -6.2336 -4.9180 -4.9173 -4.8632 -4.8629 -4.5035 -4.5034 -4.3624 -4.3617 -3.2375 -3.2373 -3.1681 -3.1677 -3.0182 -3.0181 -2.9605 -2.9599 -2.8413 -2.8405 -2.7563 -2.7554 -2.6921 -2.6918 -2.5222 -2.5212 -2.4074 -2.4057 -2.2915 -2.2903 -2.0613 -2.0612 -1.8077 -1.8070 -0.2828 -0.2828 -0.2103 -0.2102 4.9682 4.9695 5.0741 5.0753 5.4922 5.4929 5.5591 5.5615 5.5731 5.5736 6.1401 6.1434 6.2499 6.2523 k = 0.0000 0.0000 0.1224 ( 8784 PWs) bands (ev): -18.3954 -18.3954 -18.2820 -18.2820 -16.9001 -16.9001 -16.8950 -16.8950 -16.8471 -16.8471 -16.8331 -16.8331 -13.5963 -13.5963 -13.5539 -13.5539 -12.2775 -12.2775 -12.2027 -12.2027 -8.4304 -8.4304 -8.2250 -8.2250 -7.0646 -7.0645 -6.9523 -6.9522 -6.7626 -6.7625 -6.6635 -6.6633 -6.3793 -6.3792 -6.2320 -6.2320 -4.9166 -4.9157 -4.8653 -4.8650 -4.5120 -4.5118 -4.3758 -4.3750 -3.2510 -3.2508 -3.1644 -3.1639 -3.0054 -3.0053 -2.9749 -2.9743 -2.8275 -2.8266 -2.7498 -2.7487 -2.6958 -2.6953 -2.5179 -2.5166 -2.4068 -2.4048 -2.2910 -2.2895 -2.0590 -2.0588 -1.8154 -1.8145 -0.2837 -0.2836 -0.2109 -0.2108 4.9539 4.9553 5.0855 5.0868 5.4788 5.4795 5.5578 5.5607 5.5803 5.5808 6.1269 6.1304 6.2747 6.2775 k = 0.0000 0.0000 0.1468 ( 8786 PWs) bands (ev): -18.3946 -18.3946 -18.2818 -18.2818 -16.9019 -16.9019 -16.8984 -16.8984 -16.8468 -16.8468 -16.8298 -16.8298 -13.5956 -13.5956 -13.5551 -13.5551 -12.2768 -12.2768 -12.2028 -12.2028 -8.4297 -8.4296 -8.2256 -8.2256 -7.0632 -7.0631 -6.9513 -6.9513 -6.7542 -6.7541 -6.6616 -6.6614 -6.3777 -6.3776 -6.2301 -6.2301 -4.9150 -4.9139 -4.8680 -4.8676 -4.5224 -4.5221 -4.3914 -4.3903 -3.2655 -3.2652 -3.1600 -3.1594 -2.9944 -2.9941 -2.9863 -2.9858 -2.8141 -2.8130 -2.7424 -2.7412 -2.6998 -2.6992 -2.5128 -2.5113 -2.4061 -2.4038 -2.2904 -2.2887 -2.0561 -2.0559 -1.8246 -1.8236 -0.2846 -0.2845 -0.2117 -0.2116 4.9376 4.9390 5.0976 5.0990 5.4644 5.4650 5.5584 5.5616 5.5877 5.5881 6.1144 6.1179 6.3018 6.3051 k = 0.0000 0.0000 0.1713 ( 8788 PWs) bands (ev): -18.3937 -18.3937 -18.2815 -18.2815 -16.9059 -16.9058 -16.9000 -16.9000 -16.8465 -16.8464 -16.8265 -16.8265 -13.5948 -13.5948 -13.5566 -13.5565 -12.2759 -12.2759 -12.2029 -12.2029 -8.4288 -8.4288 -8.2262 -8.2262 -7.0616 -7.0615 -6.9502 -6.9501 -6.7445 -6.7443 -6.6594 -6.6592 -6.3759 -6.3757 -6.2279 -6.2279 -4.9132 -4.9119 -4.8710 -4.8705 -4.5349 -4.5346 -4.4085 -4.4073 -3.2804 -3.2801 -3.1549 -3.1543 -3.0046 -3.0041 -2.9757 -2.9755 -2.8014 -2.7999 -2.7345 -2.7332 -2.7040 -2.7033 -2.5072 -2.5054 -2.4053 -2.4026 -2.2897 -2.2877 -2.0527 -2.0525 -1.8353 -1.8342 -0.2857 -0.2856 -0.2125 -0.2124 4.9193 4.9208 5.1101 5.1117 5.4491 5.4496 5.5614 5.5648 5.5952 5.5956 6.1030 6.1064 6.3300 6.3337 k = 0.0000 0.0000 0.1958 ( 8780 PWs) bands (ev): -18.3928 -18.3928 -18.2811 -18.2811 -16.9107 -16.9107 -16.9009 -16.9009 -16.8461 -16.8461 -16.8233 -16.8233 -13.5940 -13.5940 -13.5581 -13.5581 -12.2749 -12.2749 -12.2031 -12.2031 -8.4279 -8.4279 -8.2269 -8.2269 -7.0597 -7.0597 -6.9489 -6.9489 -6.7334 -6.7332 -6.6569 -6.6567 -6.3739 -6.3737 -6.2255 -6.2254 -4.9115 -4.9100 -4.8743 -4.8738 -4.5497 -4.5492 -4.4266 -4.4252 -3.2956 -3.2953 -3.1493 -3.1486 -3.0182 -3.0175 -2.9612 -2.9609 -2.7896 -2.7878 -2.7264 -2.7252 -2.7076 -2.7069 -2.5010 -2.4989 -2.4042 -2.4013 -2.2887 -2.2865 -2.0487 -2.0485 -1.8473 -1.8460 -0.2870 -0.2868 -0.2135 -0.2134 4.8994 4.9008 5.1228 5.1245 5.4331 5.4335 5.5672 5.5706 5.6029 5.6033 6.0932 6.0966 6.3577 6.3620 k = 0.0000 0.0000 0.2203 ( 8782 PWs) bands (ev): -18.3917 -18.3917 -18.2808 -18.2808 -16.9157 -16.9157 -16.9018 -16.9018 -16.8457 -16.8457 -16.8202 -16.8202 -13.5930 -13.5930 -13.5599 -13.5599 -12.2739 -12.2739 -12.2032 -12.2032 -8.4269 -8.4269 -8.2277 -8.2277 -7.0576 -7.0576 -6.9476 -6.9476 -6.7211 -6.7209 -6.6540 -6.6538 -6.3718 -6.3716 -6.2228 -6.2227 -4.9099 -4.9082 -4.8778 -4.8772 -4.5666 -4.5660 -4.4451 -4.4436 -3.3107 -3.3104 -3.1433 -3.1425 -3.0313 -3.0306 -2.9465 -2.9461 -2.7794 -2.7771 -2.7194 -2.7179 -2.7096 -2.7085 -2.4944 -2.4921 -2.4030 -2.3999 -2.2877 -2.2852 -2.0442 -2.0439 -1.8604 -1.8589 -0.2883 -0.2882 -0.2147 -0.2145 4.8779 4.8793 5.1353 5.1371 5.4164 5.4168 5.5759 5.5793 5.6107 5.6111 6.0856 6.0888 6.3833 6.3881 k = 0.0000 0.0000 0.2447 ( 8788 PWs) bands (ev): -18.3906 -18.3906 -18.2804 -18.2804 -16.9208 -16.9208 -16.9026 -16.9026 -16.8453 -16.8452 -16.8172 -16.8172 -13.5919 -13.5919 -13.5618 -13.5618 -12.2728 -12.2727 -12.2034 -12.2034 -8.4259 -8.4258 -8.2286 -8.2286 -7.0554 -7.0553 -6.9462 -6.9461 -6.7077 -6.7075 -6.6508 -6.6506 -6.3695 -6.3693 -6.2200 -6.2199 -4.9087 -4.9068 -4.8814 -4.8807 -4.5857 -4.5850 -4.4636 -4.4620 -3.3257 -3.3254 -3.1373 -3.1363 -3.0436 -3.0428 -2.9318 -2.9313 -2.7717 -2.7690 -2.7165 -2.7135 -2.7069 -2.7043 -2.4876 -2.4850 -2.4016 -2.3983 -2.2865 -2.2839 -2.0393 -2.0390 -1.8744 -1.8728 -0.2898 -0.2896 -0.2160 -0.2158 4.8553 4.8566 5.1472 5.1492 5.3993 5.3997 5.5872 5.5904 5.6185 5.6190 6.0806 6.0837 6.4049 6.4098 k = 0.0000 0.0000 0.2692 ( 8776 PWs) bands (ev): -18.3894 -18.3894 -18.2799 -18.2799 -16.9259 -16.9259 -16.9034 -16.9034 -16.8448 -16.8448 -16.8143 -16.8143 -13.5908 -13.5908 -13.5637 -13.5637 -12.2716 -12.2715 -12.2036 -12.2036 -8.4248 -8.4247 -8.2294 -8.2294 -7.0530 -7.0529 -6.9447 -6.9446 -6.6934 -6.6931 -6.6473 -6.6471 -6.3672 -6.3670 -6.2170 -6.2169 -4.9081 -4.9060 -4.8849 -4.8840 -4.6068 -4.6058 -4.4816 -4.4800 -3.3403 -3.3400 -3.1316 -3.1305 -3.0547 -3.0537 -2.9173 -2.9167 -2.7676 -2.7647 -2.7140 -2.7113 -2.6992 -2.6968 -2.4806 -2.4777 -2.4000 -2.3966 -2.2851 -2.2824 -2.0342 -2.0340 -1.8889 -1.8873 -0.2913 -0.2912 -0.2173 -0.2172 4.8319 4.8332 5.1584 5.1605 5.3820 5.3823 5.6003 5.6030 5.6268 5.6275 6.0788 6.0817 6.4215 6.4261 k = 0.0000 0.0000 0.2937 ( 8778 PWs) bands (ev): -18.3881 -18.3881 -18.2795 -18.2795 -16.9309 -16.9309 -16.9043 -16.9043 -16.8444 -16.8444 -16.8117 -16.8117 -13.5897 -13.5897 -13.5657 -13.5657 -12.2703 -12.2703 -12.2038 -12.2038 -8.4236 -8.4236 -8.2304 -8.2304 -7.0505 -7.0504 -6.9431 -6.9431 -6.6785 -6.6782 -6.6432 -6.6430 -6.3649 -6.3647 -6.2140 -6.2139 -4.9085 -4.9063 -4.8880 -4.8869 -4.6293 -4.6281 -4.4989 -4.4973 -3.3545 -3.3542 -3.1273 -3.1259 -3.0635 -3.0624 -2.9031 -2.9023 -2.7673 -2.7647 -2.7092 -2.7073 -2.6903 -2.6884 -2.4736 -2.4704 -2.3981 -2.3947 -2.2837 -2.2809 -2.0293 -2.0291 -1.9036 -1.9019 -0.2930 -0.2928 -0.2188 -0.2186 4.8082 4.8094 5.1686 5.1708 5.3644 5.3647 5.6131 5.6146 5.6372 5.6387 6.0807 6.0833 6.4335 6.4379 k = 0.0000 0.0000 0.3181 ( 8778 PWs) bands (ev): -18.3868 -18.3868 -18.2791 -18.2791 -16.9358 -16.9358 -16.9052 -16.9051 -16.8439 -16.8439 -16.8092 -16.8092 -13.5886 -13.5886 -13.5678 -13.5678 -12.2691 -12.2691 -12.2040 -12.2040 -8.4225 -8.4225 -8.2313 -8.2313 -7.0479 -7.0478 -6.9416 -6.9415 -6.6636 -6.6632 -6.6381 -6.6379 -6.3626 -6.3624 -6.2110 -6.2108 -4.9103 -4.9081 -4.8906 -4.8892 -4.6528 -4.6512 -4.5155 -4.5138 -3.3681 -3.3678 -3.1255 -3.1240 -3.0688 -3.0677 -2.8892 -2.8884 -2.7700 -2.7678 -2.7037 -2.7023 -2.6803 -2.6788 -2.4666 -2.4631 -2.3961 -2.3927 -2.2822 -2.2794 -2.0252 -2.0251 -1.9176 -1.9160 -0.2946 -0.2944 -0.2204 -0.2202 4.7844 4.7856 5.1777 5.1799 5.3469 5.3472 5.6218 5.6222 5.6525 5.6550 6.0865 6.0890 6.4414 6.4457 k = 0.0000 0.0000 0.3426 ( 8774 PWs) bands (ev): -18.3855 -18.3855 -18.2786 -18.2786 -16.9405 -16.9405 -16.9060 -16.9060 -16.8435 -16.8435 -16.8068 -16.8068 -13.5874 -13.5874 -13.5698 -13.5698 -12.2678 -12.2678 -12.2042 -12.2042 -8.4214 -8.4213 -8.2323 -8.2323 -7.0452 -7.0451 -6.9400 -6.9400 -6.6502 -6.6498 -6.6308 -6.6306 -6.3604 -6.3602 -6.2079 -6.2078 -4.9135 -4.9113 -4.8929 -4.8912 -4.6763 -4.6745 -4.5313 -4.5296 -3.3811 -3.3809 -3.1273 -3.1259 -3.0695 -3.0684 -2.8757 -2.8748 -2.7744 -2.7726 -2.6992 -2.6975 -2.6690 -2.6679 -2.4599 -2.4561 -2.3939 -2.3906 -2.2807 -2.2779 -2.0232 -2.0229 -1.9299 -1.9285 -0.2963 -0.2961 -0.2220 -0.2218 4.7610 4.7621 5.1855 5.1878 5.3296 5.3298 5.6254 5.6262 5.6727 5.6756 6.0964 6.0986 6.4457 6.4499 k = 0.0000 0.0000 0.3671 ( 8776 PWs) bands (ev): -18.3842 -18.3842 -18.2782 -18.2782 -16.9451 -16.9451 -16.9069 -16.9068 -16.8431 -16.8431 -16.8047 -16.8047 -13.5862 -13.5862 -13.5718 -13.5718 -12.2666 -12.2666 -12.2044 -12.2044 -8.4203 -8.4202 -8.2333 -8.2333 -7.0425 -7.0424 -6.9385 -6.9384 -6.6406 -6.6402 -6.6192 -6.6189 -6.3584 -6.3582 -6.2049 -6.2048 -4.9178 -4.9156 -4.8955 -4.8934 -4.6991 -4.6970 -4.5462 -4.5446 -3.3935 -3.3932 -3.1325 -3.1314 -3.0659 -3.0651 -2.8628 -2.8617 -2.7799 -2.7783 -2.6960 -2.6938 -2.6565 -2.6555 -2.4536 -2.4495 -2.3915 -2.3883 -2.2792 -2.2765 -2.0246 -2.0238 -1.9389 -1.9378 -0.2980 -0.2978 -0.2237 -0.2235 4.7383 4.7393 5.1923 5.1946 5.3127 5.3128 5.6260 5.6271 5.6959 5.6989 6.1101 6.1121 6.4471 6.4511 k = 0.0000 0.0000 0.3916 ( 8774 PWs) bands (ev): -18.3830 -18.3830 -18.2778 -18.2778 -16.9494 -16.9494 -16.9077 -16.9077 -16.8427 -16.8427 -16.8027 -16.8027 -13.5851 -13.5851 -13.5738 -13.5738 -12.2654 -12.2654 -12.2046 -12.2046 -8.4192 -8.4192 -8.2342 -8.2342 -7.0398 -7.0397 -6.9370 -6.9369 -6.6343 -6.6339 -6.6040 -6.6038 -6.3565 -6.3563 -6.2021 -6.2020 -4.9231 -4.9209 -4.8988 -4.8966 -4.7201 -4.7178 -4.5605 -4.5588 -3.4050 -3.4047 -3.1397 -3.1388 -3.0595 -3.0589 -2.8504 -2.8492 -2.7857 -2.7844 -2.6942 -2.6917 -2.6431 -2.6421 -2.4477 -2.4433 -2.3890 -2.3860 -2.2778 -2.2751 -2.0307 -2.0293 -1.9433 -1.9427 -0.2996 -0.2994 -0.2253 -0.2252 4.7165 4.7174 5.1980 5.2003 5.2963 5.2964 5.6244 5.6257 5.7208 5.7238 6.1272 6.1290 6.4461 6.4499 k = 0.0000 0.0000 0.4160 ( 8765 PWs) bands (ev): -18.3817 -18.3817 -18.2773 -18.2773 -16.9535 -16.9535 -16.9084 -16.9084 -16.8423 -16.8423 -16.8009 -16.8009 -13.5840 -13.5840 -13.5757 -13.5757 -12.2642 -12.2642 -12.2048 -12.2048 -8.4182 -8.4182 -8.2351 -8.2351 -7.0371 -7.0371 -6.9355 -6.9355 -6.6292 -6.6288 -6.5875 -6.5873 -6.3548 -6.3545 -6.1994 -6.1993 -4.9294 -4.9270 -4.9032 -4.9011 -4.7384 -4.7360 -4.5739 -4.5723 -3.4157 -3.4155 -3.1476 -3.1469 -3.0518 -3.0514 -2.8386 -2.8374 -2.7915 -2.7903 -2.6936 -2.6910 -2.6289 -2.6280 -2.4425 -2.4377 -2.3864 -2.3835 -2.2766 -2.2740 -2.0413 -2.0393 -1.9432 -1.9430 -0.3012 -0.3010 -0.2270 -0.2269 4.6960 4.6968 5.2027 5.2049 5.2806 5.2808 5.6211 5.6225 5.7465 5.7495 6.1469 6.1486 6.4433 6.4469 k = 0.0000 0.0000 0.4405 ( 8766 PWs) bands (ev): -18.3806 -18.3806 -18.2769 -18.2769 -16.9573 -16.9573 -16.9092 -16.9092 -16.8419 -16.8419 -16.7992 -16.7992 -13.5830 -13.5830 -13.5775 -13.5775 -12.2631 -12.2631 -12.2050 -12.2050 -8.4173 -8.4172 -8.2360 -8.2360 -7.0346 -7.0345 -6.9342 -6.9341 -6.6247 -6.6243 -6.5708 -6.5706 -6.3533 -6.3530 -6.1969 -6.1968 -4.9369 -4.9343 -4.9087 -4.9069 -4.7534 -4.7509 -4.5865 -4.5850 -3.4256 -3.4253 -3.1557 -3.1551 -3.0435 -3.0432 -2.8279 -2.8267 -2.7968 -2.7956 -2.6943 -2.6915 -2.6143 -2.6134 -2.4380 -2.4330 -2.3838 -2.3811 -2.2755 -2.2730 -2.0548 -2.0525 -1.9402 -1.9400 -0.3028 -0.3026 -0.2286 -0.2285 4.6768 4.6776 5.2065 5.2087 5.2659 5.2661 5.6165 5.6180 5.7724 5.7752 6.1684 6.1699 6.4393 6.4426 k = 0.0000 0.0000 0.4650 ( 8768 PWs) bands (ev): -18.3795 -18.3795 -18.2766 -18.2766 -16.9608 -16.9608 -16.9099 -16.9098 -16.8416 -16.8416 -16.7978 -16.7978 -13.5822 -13.5822 -13.5791 -13.5791 -12.2621 -12.2621 -12.2052 -12.2052 -8.4164 -8.4164 -8.2369 -8.2369 -7.0322 -7.0322 -6.9329 -6.9328 -6.6205 -6.6202 -6.5545 -6.5543 -6.3520 -6.3518 -6.1947 -6.1946 -4.9458 -4.9430 -4.9147 -4.9133 -4.7647 -4.7624 -4.5982 -4.5968 -3.4345 -3.4343 -3.1634 -3.1629 -3.0350 -3.0348 -2.8196 -2.8184 -2.8001 -2.7986 -2.6959 -2.6931 -2.5995 -2.5984 -2.4343 -2.4291 -2.3812 -2.3788 -2.2746 -2.2723 -2.0698 -2.0672 -1.9354 -1.9351 -0.3042 -0.3041 -0.2302 -0.2301 4.6593 4.6599 5.2096 5.2117 5.2523 5.2525 5.6112 5.6127 5.7978 5.8005 6.1906 6.1920 6.4343 6.4373 k = 0.0000 0.0000 0.4895 ( 8784 PWs) bands (ev): -18.3785 -18.3785 -18.2762 -18.2762 -16.9640 -16.9640 -16.9105 -16.9105 -16.8413 -16.8413 -16.7965 -16.7965 -13.5818 -13.5818 -13.5801 -13.5801 -12.2612 -12.2612 -12.2054 -12.2054 -8.4156 -8.4156 -8.2376 -8.2376 -7.0300 -7.0300 -6.9317 -6.9317 -6.6166 -6.6163 -6.5390 -6.5388 -6.3509 -6.3507 -6.1928 -6.1927 -4.9563 -4.9535 -4.9205 -4.9195 -4.7726 -4.7706 -4.6090 -4.6077 -3.4424 -3.4423 -3.1705 -3.1701 -3.0268 -3.0267 -2.8173 -2.8162 -2.7977 -2.7956 -2.6986 -2.6957 -2.5846 -2.5833 -2.4317 -2.4263 -2.3787 -2.3766 -2.2740 -2.2718 -2.0850 -2.0824 -1.9299 -1.9296 -0.3055 -0.3054 -0.2317 -0.2316 4.6435 4.6440 5.2119 5.2138 5.2401 5.2403 5.6055 5.6069 5.8222 5.8247 6.2125 6.2137 6.4289 6.4317 k = 0.0000 0.0000 0.5139 ( 8790 PWs) bands (ev): -18.3776 -18.3776 -18.2759 -18.2759 -16.9667 -16.9667 -16.9110 -16.9110 -16.8410 -16.8410 -16.7954 -16.7954 -13.5826 -13.5826 -13.5799 -13.5799 -12.2604 -12.2604 -12.2056 -12.2056 -8.4149 -8.4149 -8.2383 -8.2383 -7.0280 -7.0280 -6.9307 -6.9307 -6.6130 -6.6127 -6.5247 -6.5245 -6.3500 -6.3499 -6.1911 -6.1910 -4.9678 -4.9653 -4.9256 -4.9249 -4.7776 -4.7760 -4.6188 -4.6175 -3.4494 -3.4493 -3.1769 -3.1766 -3.0191 -3.0190 -2.8199 -2.8190 -2.7902 -2.7880 -2.7020 -2.6991 -2.5698 -2.5682 -2.4302 -2.4248 -2.3764 -2.3746 -2.2737 -2.2717 -2.0996 -2.0970 -1.9242 -1.9239 -0.3067 -0.3066 -0.2330 -0.2329 4.6296 4.6300 5.2132 5.2149 5.2298 5.2300 5.5998 5.6011 5.8450 5.8473 6.2331 6.2343 6.4234 6.4259 k = 0.0000 0.0000 0.5384 ( 8788 PWs) bands (ev): -18.3768 -18.3768 -18.2757 -18.2757 -16.9691 -16.9691 -16.9115 -16.9115 -16.8408 -16.8408 -16.7945 -16.7945 -13.5837 -13.5837 -13.5794 -13.5794 -12.2596 -12.2596 -12.2057 -12.2057 -8.4143 -8.4143 -8.2389 -8.2389 -7.0263 -7.0262 -6.9298 -6.9298 -6.6098 -6.6095 -6.5118 -6.5116 -6.3493 -6.3492 -6.1897 -6.1896 -4.9795 -4.9773 -4.9298 -4.9293 -4.7805 -4.7793 -4.6273 -4.6262 -3.4554 -3.4552 -3.1825 -3.1822 -3.0122 -3.0120 -2.8237 -2.8229 -2.7815 -2.7793 -2.7060 -2.7032 -2.5553 -2.5535 -2.4299 -2.4245 -2.3744 -2.3728 -2.2736 -2.2719 -2.1130 -2.1105 -1.9189 -1.9186 -0.3078 -0.3077 -0.2342 -0.2341 4.6176 4.6180 5.2122 5.2134 5.2230 5.2232 5.5944 5.5956 5.8656 5.8676 6.2517 6.2527 6.4183 6.4203 k = 0.0000 0.0000 0.5629 ( 8794 PWs) bands (ev): -18.3761 -18.3761 -18.2755 -18.2755 -16.9711 -16.9711 -16.9119 -16.9119 -16.8406 -16.8406 -16.7938 -16.7937 -13.5846 -13.5846 -13.5788 -13.5788 -12.2590 -12.2590 -12.2058 -12.2058 -8.4138 -8.4138 -8.2394 -8.2394 -7.0248 -7.0248 -6.9291 -6.9290 -6.6070 -6.6068 -6.5008 -6.5006 -6.3488 -6.3487 -6.1887 -6.1886 -4.9904 -4.9887 -4.9332 -4.9328 -4.7820 -4.7811 -4.6346 -4.6336 -3.4603 -3.4602 -3.1872 -3.1869 -3.0061 -3.0060 -2.8273 -2.8267 -2.7728 -2.7706 -2.7106 -2.7079 -2.5415 -2.5396 -2.4307 -2.4256 -2.3726 -2.3713 -2.2738 -2.2723 -2.1245 -2.1223 -1.9142 -1.9139 -0.3087 -0.3086 -0.2352 -0.2351 4.6078 4.6081 5.2075 5.2080 5.2210 5.2216 5.5897 5.5907 5.8835 5.8852 6.2674 6.2683 6.4137 6.4154 k = 0.0000 0.0000 0.5873 ( 8804 PWs) bands (ev): -18.3756 -18.3756 -18.2753 -18.2753 -16.9727 -16.9727 -16.9122 -16.9122 -16.8404 -16.8404 -16.7932 -16.7932 -13.5854 -13.5854 -13.5784 -13.5784 -12.2585 -12.2585 -12.2059 -12.2059 -8.4134 -8.4134 -8.2398 -8.2398 -7.0237 -7.0236 -6.9285 -6.9284 -6.6047 -6.6046 -6.4918 -6.4917 -6.3484 -6.3483 -6.1879 -6.1878 -4.9997 -4.9984 -4.9358 -4.9355 -4.7827 -4.7820 -4.6404 -4.6396 -3.4641 -3.4640 -3.1908 -3.1907 -3.0012 -3.0011 -2.8303 -2.8299 -2.7646 -2.7624 -2.7156 -2.7130 -2.5290 -2.5270 -2.4325 -2.4279 -2.3712 -2.3702 -2.2741 -2.2729 -2.1337 -2.1320 -1.9103 -1.9101 -0.3094 -0.3093 -0.2360 -0.2359 4.6000 4.6002 5.2021 5.2024 5.2211 5.2217 5.5858 5.5866 5.8981 5.8994 6.2799 6.2806 6.4101 6.4114 k = 0.0000 0.0000 0.6118 ( 8802 PWs) bands (ev): -18.3752 -18.3752 -18.2751 -18.2751 -16.9738 -16.9738 -16.9125 -16.9125 -16.8403 -16.8403 -16.7928 -16.7927 -13.5860 -13.5860 -13.5781 -13.5781 -12.2582 -12.2582 -12.2060 -12.2060 -8.4132 -8.4132 -8.2401 -8.2401 -7.0228 -7.0228 -6.9280 -6.9280 -6.6031 -6.6030 -6.4853 -6.4852 -6.3481 -6.3480 -6.1873 -6.1873 -5.0067 -5.0058 -4.9376 -4.9374 -4.7828 -4.7824 -4.6446 -4.6441 -3.4668 -3.4668 -3.1935 -3.1933 -2.9975 -2.9974 -2.8326 -2.8323 -2.7572 -2.7551 -2.7206 -2.7183 -2.5185 -2.5168 -2.4346 -2.4310 -2.3701 -2.3694 -2.2744 -2.2735 -2.1404 -2.1391 -1.9075 -1.9073 -0.3099 -0.3099 -0.2366 -0.2365 4.5945 4.5946 5.1979 5.1980 5.2215 5.2220 5.5829 5.5835 5.9089 5.9099 6.2889 6.2894 6.4075 6.4084 k = 0.0000 0.0000 0.6363 ( 8790 PWs) bands (ev): -18.3750 -18.3750 -18.2751 -18.2751 -16.9744 -16.9744 -16.9126 -16.9126 -16.8403 -16.8403 -16.7925 -16.7925 -13.5863 -13.5863 -13.5779 -13.5779 -12.2580 -12.2580 -12.2061 -12.2061 -8.4130 -8.4130 -8.2403 -8.2403 -7.0223 -7.0223 -6.9278 -6.9277 -6.6020 -6.6020 -6.4812 -6.4812 -6.3479 -6.3478 -6.1870 -6.1869 -5.0109 -5.0105 -4.9387 -4.9386 -4.7827 -4.7825 -4.6471 -4.6469 -3.4685 -3.4684 -3.1950 -3.1950 -2.9952 -2.9952 -2.8340 -2.8339 -2.7511 -2.7496 -2.7247 -2.7231 -2.5110 -2.5100 -2.4361 -2.4341 -2.3694 -2.3690 -2.2745 -2.2741 -2.1443 -2.1437 -1.9057 -1.9056 -0.3102 -0.3102 -0.2369 -0.2369 4.5912 4.5912 5.1953 5.1953 5.2219 5.2222 5.5812 5.5815 5.9158 5.9162 6.2943 6.2946 6.4061 6.4065 k = 0.0000 0.0000 0.6608 ( 8790 PWs) bands (ev): -18.3749 -18.3749 -18.2750 -18.2750 -16.9747 -16.9747 -16.9126 -16.9126 -16.8402 -16.8402 -16.7924 -16.7924 -13.5864 -13.5864 -13.5778 -13.5778 -12.2579 -12.2579 -12.2061 -12.2061 -8.4129 -8.4129 -8.2403 -8.2403 -7.0221 -7.0221 -6.9277 -6.9277 -6.6017 -6.6017 -6.4798 -6.4798 -6.3478 -6.3478 -6.1868 -6.1868 -5.0123 -5.0123 -4.9390 -4.9390 -4.7826 -4.7826 -4.6479 -4.6479 -3.4690 -3.4690 -3.1955 -3.1955 -2.9944 -2.9944 -2.8344 -2.8344 -2.7479 -2.7479 -2.7259 -2.7259 -2.5079 -2.5079 -2.4360 -2.4360 -2.3690 -2.3690 -2.2745 -2.2745 -2.1454 -2.1454 -1.9050 -1.9050 -0.3103 -0.3103 -0.2370 -0.2370 4.5901 4.5901 5.1944 5.1944 5.2221 5.2221 5.5808 5.5808 5.9182 5.9182 6.2962 6.2962 6.4057 6.4057 k = 0.0000 0.0000 0.6608 ( 8790 PWs) bands (ev): -18.3749 -18.3749 -18.2750 -18.2750 -16.9747 -16.9747 -16.9126 -16.9126 -16.8402 -16.8402 -16.7924 -16.7924 -13.5864 -13.5864 -13.5778 -13.5778 -12.2579 -12.2579 -12.2061 -12.2061 -8.4129 -8.4129 -8.2403 -8.2403 -7.0221 -7.0221 -6.9277 -6.9277 -6.6017 -6.6017 -6.4798 -6.4798 -6.3478 -6.3478 -6.1868 -6.1868 -5.0123 -5.0123 -4.9390 -4.9390 -4.7826 -4.7826 -4.6479 -4.6479 -3.4690 -3.4690 -3.1955 -3.1955 -2.9944 -2.9944 -2.8344 -2.8344 -2.7479 -2.7479 -2.7259 -2.7259 -2.5079 -2.5079 -2.4360 -2.4360 -2.3690 -2.3690 -2.2745 -2.2745 -2.1454 -2.1454 -1.9050 -1.9050 -0.3103 -0.3103 -0.2370 -0.2370 4.5901 4.5901 5.1944 5.1944 5.2221 5.2221 5.5808 5.5808 5.9182 5.9182 6.2962 6.2962 6.4057 6.4057 k = 0.0000 0.0243 0.6608 ( 8780 PWs) bands (ev): -18.3748 -18.3748 -18.2751 -18.2751 -16.9746 -16.9746 -16.9126 -16.9126 -16.8402 -16.8402 -16.7925 -16.7925 -13.5871 -13.5871 -13.5772 -13.5772 -12.2582 -12.2582 -12.2058 -12.2058 -8.4128 -8.4128 -8.2405 -8.2405 -7.0227 -7.0227 -6.9272 -6.9272 -6.6019 -6.6019 -6.4799 -6.4799 -6.3478 -6.3478 -6.1870 -6.1870 -5.0122 -5.0121 -4.9389 -4.9387 -4.7828 -4.7828 -4.6478 -4.6477 -3.4690 -3.4688 -3.1955 -3.1954 -2.9945 -2.9944 -2.8345 -2.8344 -2.7483 -2.7480 -2.7254 -2.7250 -2.5080 -2.5079 -2.4362 -2.4361 -2.3694 -2.3691 -2.2744 -2.2742 -2.1450 -2.1447 -1.9050 -1.9050 -0.3104 -0.3104 -0.2370 -0.2369 4.5899 4.5899 5.1948 5.1949 5.2226 5.2226 5.5809 5.5810 5.9173 5.9175 6.2965 6.2966 6.4051 6.4052 k = 0.0000 0.0485 0.6608 ( 8774 PWs) bands (ev): -18.3746 -18.3746 -18.2753 -18.2753 -16.9743 -16.9743 -16.9125 -16.9125 -16.8403 -16.8403 -16.7927 -16.7927 -13.5886 -13.5886 -13.5758 -13.5758 -12.2592 -12.2592 -12.2052 -12.2052 -8.4126 -8.4126 -8.2408 -8.2408 -7.0245 -7.0244 -6.9260 -6.9260 -6.6025 -6.6024 -6.4801 -6.4801 -6.3478 -6.3477 -6.1875 -6.1875 -5.0119 -5.0116 -4.9383 -4.9379 -4.7834 -4.7833 -4.6473 -4.6473 -3.4686 -3.4682 -3.1952 -3.1952 -2.9945 -2.9943 -2.8346 -2.8345 -2.7492 -2.7485 -2.7236 -2.7228 -2.5079 -2.5077 -2.4366 -2.4364 -2.3702 -2.3695 -2.2740 -2.2737 -2.1436 -2.1430 -1.9048 -1.9047 -0.3108 -0.3107 -0.2367 -0.2365 4.5895 4.5895 5.1961 5.1962 5.2240 5.2240 5.5816 5.5818 5.9148 5.9151 6.2974 6.2977 6.4032 6.4034 k = 0.0000 0.0728 0.6608 ( 8772 PWs) bands (ev): -18.3743 -18.3743 -18.2755 -18.2755 -16.9738 -16.9738 -16.9122 -16.9122 -16.8403 -16.8403 -16.7931 -16.7931 -13.5907 -13.5907 -13.5741 -13.5741 -12.2607 -12.2606 -12.2043 -12.2043 -8.4121 -8.4121 -8.2415 -8.2414 -7.0273 -7.0272 -6.9241 -6.9240 -6.6035 -6.6034 -6.4804 -6.4804 -6.3477 -6.3476 -6.1883 -6.1882 -5.0115 -5.0110 -4.9373 -4.9368 -4.7843 -4.7842 -4.6466 -4.6465 -3.4679 -3.4674 -3.1948 -3.1947 -2.9945 -2.9942 -2.8347 -2.8346 -2.7503 -2.7495 -2.7203 -2.7193 -2.5078 -2.5075 -2.4372 -2.4369 -2.3714 -2.3704 -2.2734 -2.2729 -2.1412 -2.1403 -1.9044 -1.9043 -0.3113 -0.3112 -0.2363 -0.2360 4.5889 4.5889 5.1982 5.1983 5.2263 5.2264 5.5826 5.5829 5.9108 5.9112 6.2989 6.2993 6.4001 6.4004 k = 0.0000 0.0971 0.6608 ( 8760 PWs) bands (ev): -18.3738 -18.3738 -18.2759 -18.2759 -16.9731 -16.9731 -16.9119 -16.9119 -16.8404 -16.8404 -16.7937 -16.7937 -13.5929 -13.5929 -13.5722 -13.5722 -12.2626 -12.2626 -12.2030 -12.2030 -8.4115 -8.4115 -8.2423 -8.2423 -7.0310 -7.0309 -6.9215 -6.9215 -6.6048 -6.6048 -6.4808 -6.4808 -6.3476 -6.3474 -6.1894 -6.1893 -5.0108 -5.0102 -4.9359 -4.9352 -4.7855 -4.7854 -4.6456 -4.6454 -3.4670 -3.4663 -3.1941 -3.1940 -2.9945 -2.9941 -2.8351 -2.8349 -2.7518 -2.7508 -2.7158 -2.7147 -2.5076 -2.5072 -2.4380 -2.4377 -2.3729 -2.3716 -2.2725 -2.2719 -2.1378 -2.1367 -1.9039 -1.9037 -0.3121 -0.3119 -0.2356 -0.2353 4.5880 4.5881 5.2008 5.2010 5.2296 5.2297 5.5841 5.5845 5.9053 5.9058 6.3008 6.3013 6.3958 6.3963 k = 0.0000 0.1213 0.6608 ( 8770 PWs) bands (ev): -18.3732 -18.3732 -18.2764 -18.2764 -16.9723 -16.9723 -16.9115 -16.9115 -16.8405 -16.8405 -16.7944 -16.7944 -13.5953 -13.5953 -13.5703 -13.5703 -12.2650 -12.2650 -12.2016 -12.2016 -8.4107 -8.4107 -8.2434 -8.2434 -7.0354 -7.0353 -6.9185 -6.9185 -6.6066 -6.6066 -6.4814 -6.4814 -6.3476 -6.3473 -6.1908 -6.1907 -5.0099 -5.0092 -4.9341 -4.9332 -4.7870 -4.7869 -4.6442 -4.6440 -3.4657 -3.4649 -3.1933 -3.1932 -2.9945 -2.9940 -2.8357 -2.8355 -2.7535 -2.7525 -2.7100 -2.7088 -2.5074 -2.5068 -2.4390 -2.4386 -2.3747 -2.3731 -2.2713 -2.2706 -2.1336 -2.1323 -1.9032 -1.9031 -0.3130 -0.3128 -0.2349 -0.2345 4.5871 4.5872 5.2039 5.2041 5.2340 5.2341 5.5861 5.5866 5.8985 5.8992 6.3029 6.3036 6.3904 6.3911 k = 0.0000 0.1456 0.6608 ( 8773 PWs) bands (ev): -18.3725 -18.3725 -18.2770 -18.2770 -16.9713 -16.9713 -16.9110 -16.9110 -16.8407 -16.8407 -16.7952 -16.7952 -13.5978 -13.5978 -13.5684 -13.5684 -12.2678 -12.2678 -12.2000 -12.2000 -8.4098 -8.4098 -8.2447 -8.2447 -7.0405 -7.0403 -6.9153 -6.9153 -6.6088 -6.6087 -6.4821 -6.4821 -6.3475 -6.3472 -6.1924 -6.1923 -5.0089 -5.0080 -4.9318 -4.9307 -4.7888 -4.7887 -4.6426 -4.6423 -3.4642 -3.4632 -3.1923 -3.1922 -2.9945 -2.9940 -2.8365 -2.8363 -2.7554 -2.7544 -2.7031 -2.7018 -2.5069 -2.5062 -2.4402 -2.4397 -2.3767 -2.3749 -2.2699 -2.2690 -2.1285 -2.1270 -1.9024 -1.9022 -0.3140 -0.3138 -0.2340 -0.2335 4.5862 4.5863 5.2073 5.2075 5.2395 5.2396 5.5884 5.5890 5.8905 5.8913 6.3050 6.3058 6.3840 6.3848 k = 0.0000 0.1699 0.6608 ( 8774 PWs) bands (ev): -18.3716 -18.3716 -18.2778 -18.2778 -16.9701 -16.9701 -16.9105 -16.9105 -16.8409 -16.8409 -16.7962 -16.7962 -13.6003 -13.6003 -13.5666 -13.5666 -12.2708 -12.2708 -12.1983 -12.1983 -8.4087 -8.4087 -8.2462 -8.2462 -7.0459 -7.0458 -6.9118 -6.9118 -6.6113 -6.6112 -6.4830 -6.4829 -6.3474 -6.3471 -6.1943 -6.1941 -5.0077 -5.0067 -4.9291 -4.9279 -4.7909 -4.7907 -4.6405 -4.6403 -3.4624 -3.4613 -3.1911 -3.1910 -2.9946 -2.9940 -2.8377 -2.8375 -2.7576 -2.7567 -2.6952 -2.6938 -2.5063 -2.5055 -2.4415 -2.4409 -2.3789 -2.3768 -2.2682 -2.2672 -2.1228 -2.1211 -1.9014 -1.9012 -0.3152 -0.3150 -0.2330 -0.2325 4.5854 4.5854 5.2107 5.2110 5.2462 5.2463 5.5912 5.5919 5.8816 5.8825 6.3069 6.3078 6.3766 6.3776 k = 0.0000 0.1941 0.6608 ( 8775 PWs) bands (ev): -18.3706 -18.3706 -18.2786 -18.2786 -16.9687 -16.9687 -16.9098 -16.9098 -16.8410 -16.8410 -16.7974 -16.7973 -13.6029 -13.6029 -13.5648 -13.5648 -12.2740 -12.2740 -12.1966 -12.1966 -8.4074 -8.4074 -8.2480 -8.2479 -7.0518 -7.0516 -6.9083 -6.9083 -6.6142 -6.6141 -6.4839 -6.4839 -6.3474 -6.3470 -6.1963 -6.1962 -5.0064 -5.0053 -4.9261 -4.9247 -4.7931 -4.7929 -4.6381 -4.6378 -3.4604 -3.4591 -3.1897 -3.1895 -2.9947 -2.9941 -2.8393 -2.8390 -2.7600 -2.7591 -2.6863 -2.6849 -2.5055 -2.5045 -2.4428 -2.4422 -2.3811 -2.3789 -2.2662 -2.2652 -2.1165 -2.1146 -1.9003 -1.9001 -0.3165 -0.3163 -0.2319 -0.2314 4.5848 4.5848 5.2140 5.2143 5.2540 5.2541 5.5944 5.5952 5.8718 5.8728 6.3080 6.3091 6.3685 6.3698 k = 0.0000 0.2184 0.6608 ( 8769 PWs) bands (ev): -18.3695 -18.3695 -18.2795 -18.2795 -16.9672 -16.9672 -16.9091 -16.9091 -16.8412 -16.8412 -16.7986 -16.7986 -13.6055 -13.6055 -13.5630 -13.5630 -12.2773 -12.2773 -12.1949 -12.1949 -8.4061 -8.4061 -8.2498 -8.2498 -7.0578 -7.0576 -6.9047 -6.9047 -6.6173 -6.6172 -6.4851 -6.4850 -6.3474 -6.3470 -6.1985 -6.1984 -5.0050 -5.0038 -4.9226 -4.9212 -4.7953 -4.7952 -4.6354 -4.6350 -3.4581 -3.4568 -3.1882 -3.1879 -2.9950 -2.9943 -2.8412 -2.8409 -2.7627 -2.7618 -2.6768 -2.6753 -2.5044 -2.5033 -2.4442 -2.4434 -2.3835 -2.3811 -2.2640 -2.2628 -2.1096 -2.1077 -1.8992 -1.8989 -0.3179 -0.3176 -0.2308 -0.2302 4.5845 4.5846 5.2170 5.2174 5.2630 5.2632 5.5980 5.5989 5.8613 5.8624 6.3077 6.3091 6.3603 6.3619 k = 0.0000 0.2427 0.6608 ( 8773 PWs) bands (ev): -18.3683 -18.3683 -18.2805 -18.2805 -16.9655 -16.9655 -16.9083 -16.9083 -16.8415 -16.8415 -16.8000 -16.8000 -13.6080 -13.6080 -13.5613 -13.5613 -12.2808 -12.2807 -12.1933 -12.1932 -8.4046 -8.4046 -8.2519 -8.2518 -7.0641 -7.0639 -6.9012 -6.9012 -6.6209 -6.6208 -6.4863 -6.4863 -6.3475 -6.3471 -6.2008 -6.2007 -5.0036 -5.0023 -4.9189 -4.9174 -4.7977 -4.7974 -4.6322 -4.6318 -3.4557 -3.4543 -3.1864 -3.1861 -2.9954 -2.9946 -2.8433 -2.8430 -2.7656 -2.7648 -2.6669 -2.6654 -2.5031 -2.5018 -2.4456 -2.4447 -2.3858 -2.3832 -2.2614 -2.2602 -2.1024 -2.1004 -1.8978 -1.8976 -0.3193 -0.3190 -0.2297 -0.2291 4.5846 4.5847 5.2196 5.2200 5.2732 5.2733 5.6021 5.6030 5.8503 5.8515 6.3053 6.3069 6.3524 6.3544 k = 0.0000 0.2669 0.6608 ( 8781 PWs) bands (ev): -18.3670 -18.3670 -18.2817 -18.2817 -16.9636 -16.9636 -16.9074 -16.9074 -16.8417 -16.8417 -16.8016 -16.8016 -13.6106 -13.6106 -13.5597 -13.5597 -12.2843 -12.2842 -12.1916 -12.1916 -8.4031 -8.4031 -8.2540 -8.2540 -7.0704 -7.0702 -6.8978 -6.8978 -6.6247 -6.6246 -6.4877 -6.4877 -6.3478 -6.3473 -6.2032 -6.2030 -5.0020 -5.0007 -4.9150 -4.9134 -4.7999 -4.7997 -4.6286 -4.6282 -3.4531 -3.4516 -3.1843 -3.1840 -2.9959 -2.9951 -2.8457 -2.8454 -2.7687 -2.7679 -2.6569 -2.6553 -2.5015 -2.5000 -2.4468 -2.4458 -2.3881 -2.3854 -2.2586 -2.2573 -2.0950 -2.0928 -1.8964 -1.8962 -0.3208 -0.3205 -0.2285 -0.2279 4.5852 4.5853 5.2218 5.2223 5.2843 5.2844 5.6065 5.6075 5.8389 5.8402 6.2999 6.3016 6.3459 6.3482 k = 0.0000 0.2912 0.6608 ( 8759 PWs) bands (ev): -18.3656 -18.3656 -18.2829 -18.2829 -16.9616 -16.9616 -16.9065 -16.9065 -16.8420 -16.8420 -16.8032 -16.8032 -13.6131 -13.6131 -13.5582 -13.5582 -12.2878 -12.2878 -12.1901 -12.1901 -8.4015 -8.4014 -8.2563 -8.2562 -7.0767 -7.0765 -6.8946 -6.8945 -6.6288 -6.6287 -6.4893 -6.4892 -6.3481 -6.3476 -6.2056 -6.2054 -5.0004 -4.9991 -4.9108 -4.9092 -4.8020 -4.8017 -4.6246 -4.6242 -3.4504 -3.4489 -3.1821 -3.1817 -2.9966 -2.9957 -2.8483 -2.8480 -2.7720 -2.7713 -2.6470 -2.6454 -2.4995 -2.4978 -2.4478 -2.4466 -2.3903 -2.3874 -2.2553 -2.2540 -2.0873 -2.0851 -1.8949 -1.8946 -0.3222 -0.3220 -0.2274 -0.2268 4.5864 4.5865 5.2235 5.2240 5.2964 5.2965 5.6115 5.6125 5.8272 5.8285 6.2912 6.2928 6.3411 6.3434 k = 0.0000 0.3155 0.6608 ( 8771 PWs) bands (ev): -18.3641 -18.3641 -18.2842 -18.2842 -16.9595 -16.9595 -16.9055 -16.9055 -16.8423 -16.8423 -16.8050 -16.8050 -13.6157 -13.6157 -13.5567 -13.5567 -12.2913 -12.2913 -12.1886 -12.1886 -8.3998 -8.3998 -8.2586 -8.2585 -7.0830 -7.0828 -6.8915 -6.8914 -6.6332 -6.6330 -6.4910 -6.4909 -6.3486 -6.3481 -6.2080 -6.2078 -4.9988 -4.9974 -4.9066 -4.9050 -4.8038 -4.8034 -4.6203 -4.6198 -3.4477 -3.4461 -3.1796 -3.1792 -2.9974 -2.9965 -2.8510 -2.8506 -2.7755 -2.7748 -2.6377 -2.6361 -2.4971 -2.4952 -2.4485 -2.4471 -2.3925 -2.3895 -2.2518 -2.2504 -2.0796 -2.0774 -1.8934 -1.8931 -0.3237 -0.3234 -0.2263 -0.2257 4.5882 4.5883 5.2246 5.2252 5.3094 5.3095 5.6169 5.6179 5.8153 5.8166 6.2794 6.2809 6.3375 6.3397 k = 0.0000 0.3397 0.6608 ( 8773 PWs) bands (ev): -18.3626 -18.3626 -18.2856 -18.2856 -16.9572 -16.9572 -16.9045 -16.9045 -16.8426 -16.8426 -16.8068 -16.8068 -13.6181 -13.6181 -13.5553 -13.5553 -12.2948 -12.2948 -12.1873 -12.1873 -8.3981 -8.3981 -8.2610 -8.2609 -7.0892 -7.0890 -6.8886 -6.8885 -6.6379 -6.6377 -6.4928 -6.4927 -6.3492 -6.3487 -6.2104 -6.2101 -4.9972 -4.9958 -4.9025 -4.9010 -4.8051 -4.8046 -4.6155 -4.6149 -3.4449 -3.4433 -3.1768 -3.1764 -2.9984 -2.9975 -2.8537 -2.8533 -2.7793 -2.7786 -2.6293 -2.6277 -2.4943 -2.4923 -2.4486 -2.4472 -2.3945 -2.3914 -2.2478 -2.2464 -2.0720 -2.0697 -1.8917 -1.8914 -0.3252 -0.3249 -0.2253 -0.2246 4.5908 4.5909 5.2252 5.2258 5.3232 5.3233 5.6227 5.6239 5.8032 5.8046 6.2655 6.2668 6.3342 6.3364 k = 0.0000 0.3640 0.6608 ( 8763 PWs) bands (ev): -18.3609 -18.3609 -18.2871 -18.2871 -16.9549 -16.9549 -16.9034 -16.9034 -16.8429 -16.8429 -16.8088 -16.8088 -13.6205 -13.6205 -13.5539 -13.5539 -12.2982 -12.2982 -12.1860 -12.1860 -8.3964 -8.3964 -8.2634 -8.2633 -7.0952 -7.0950 -6.8859 -6.8859 -6.6427 -6.6425 -6.4948 -6.4947 -6.3500 -6.3495 -6.2127 -6.2124 -4.9955 -4.9941 -4.8987 -4.8972 -4.8057 -4.8051 -4.6103 -4.6097 -3.4422 -3.4406 -3.1738 -3.1733 -2.9996 -2.9986 -2.8563 -2.8560 -2.7832 -2.7826 -2.6221 -2.6206 -2.4910 -2.4890 -2.4483 -2.4467 -2.3964 -2.3931 -2.2434 -2.2420 -2.0644 -2.0621 -1.8900 -1.8897 -0.3266 -0.3263 -0.2243 -0.2236 4.5941 4.5943 5.2252 5.2258 5.3376 5.3377 5.6291 5.6303 5.7911 5.7926 6.2498 6.2510 6.3306 6.3327 k = 0.0000 0.3883 0.6608 ( 8757 PWs) bands (ev): -18.3593 -18.3593 -18.2887 -18.2887 -16.9524 -16.9524 -16.9022 -16.9022 -16.8433 -16.8433 -16.8108 -16.8108 -13.6228 -13.6228 -13.5526 -13.5526 -12.3015 -12.3015 -12.1848 -12.1848 -8.3947 -8.3947 -8.2658 -8.2657 -7.1011 -7.1009 -6.8834 -6.8834 -6.6478 -6.6476 -6.4969 -6.4968 -6.3509 -6.3504 -6.2149 -6.2147 -4.9938 -4.9924 -4.8953 -4.8939 -4.8055 -4.8048 -4.6047 -4.6041 -3.4395 -3.4380 -3.1705 -3.1700 -3.0010 -2.9999 -2.8589 -2.8586 -2.7873 -2.7867 -2.6164 -2.6149 -2.4874 -2.4852 -2.4473 -2.4457 -2.3981 -2.3947 -2.2385 -2.2372 -2.0570 -2.0547 -1.8883 -1.8879 -0.3280 -0.3277 -0.2233 -0.2227 4.5983 4.5985 5.2246 5.2252 5.3526 5.3527 5.6361 5.6373 5.7790 5.7805 6.2331 6.2341 6.3263 6.3284 k = 0.0000 0.4126 0.6608 ( 8773 PWs) bands (ev): -18.3576 -18.3576 -18.2903 -18.2903 -16.9498 -16.9498 -16.9010 -16.9010 -16.8437 -16.8436 -16.8130 -16.8130 -13.6251 -13.6251 -13.5514 -13.5514 -12.3048 -12.3048 -12.1838 -12.1838 -8.3931 -8.3930 -8.2682 -8.2681 -7.1068 -7.1066 -6.8812 -6.8812 -6.6531 -6.6529 -6.4991 -6.4990 -6.3519 -6.3514 -6.2171 -6.2168 -4.9921 -4.9907 -4.8925 -4.8913 -4.8043 -4.8034 -4.5988 -4.5981 -3.4370 -3.4355 -3.1670 -3.1663 -3.0025 -3.0014 -2.8614 -2.8610 -2.7916 -2.7910 -2.6123 -2.6109 -2.4834 -2.4812 -2.4458 -2.4441 -2.3997 -2.3962 -2.2333 -2.2319 -2.0500 -2.0477 -1.8865 -1.8861 -0.3293 -0.3291 -0.2225 -0.2218 4.6034 4.6035 5.2234 5.2241 5.3681 5.3681 5.6435 5.6447 5.7669 5.7685 6.2156 6.2165 6.3211 6.3232 k = 0.0000 0.4368 0.6608 ( 8787 PWs) bands (ev): -18.3559 -18.3559 -18.2920 -18.2920 -16.9472 -16.9472 -16.8998 -16.8998 -16.8440 -16.8440 -16.8152 -16.8152 -13.6272 -13.6272 -13.5503 -13.5503 -12.3079 -12.3079 -12.1828 -12.1828 -8.3915 -8.3915 -8.2704 -8.2703 -7.1123 -7.1121 -6.8793 -6.8792 -6.6586 -6.6583 -6.5015 -6.5014 -6.3531 -6.3526 -6.2192 -6.2189 -4.9903 -4.9889 -4.8905 -4.8894 -4.8020 -4.8009 -4.5925 -4.5918 -3.4346 -3.4332 -3.1631 -3.1624 -3.0042 -3.0030 -2.8636 -2.8632 -2.7961 -2.7956 -2.6099 -2.6086 -2.4790 -2.4769 -2.4438 -2.4420 -2.4010 -2.3974 -2.2276 -2.2262 -2.0433 -2.0410 -1.8846 -1.8842 -0.3306 -0.3304 -0.2217 -0.2210 4.6093 4.6095 5.2217 5.2224 5.3838 5.3839 5.6515 5.6527 5.7550 5.7566 6.1976 6.1985 6.3149 6.3170 k = 0.0000 0.4611 0.6608 ( 8787 PWs) bands (ev): -18.3541 -18.3541 -18.2938 -18.2938 -16.9444 -16.9444 -16.8985 -16.8985 -16.8444 -16.8444 -16.8174 -16.8174 -13.6293 -13.6293 -13.5492 -13.5491 -12.3108 -12.3108 -12.1820 -12.1820 -8.3900 -8.3900 -8.2726 -8.2725 -7.1175 -7.1173 -6.8776 -6.8775 -6.6642 -6.6639 -6.5040 -6.5039 -6.3543 -6.3538 -6.2212 -6.2209 -4.9884 -4.9871 -4.8892 -4.8883 -4.7984 -4.7972 -4.5858 -4.5851 -3.4325 -3.4311 -3.1590 -3.1583 -3.0059 -3.0047 -2.8656 -2.8652 -2.8008 -2.8003 -2.6092 -2.6080 -2.4745 -2.4724 -2.4413 -2.4397 -2.4020 -2.3983 -2.2215 -2.2202 -2.0370 -2.0347 -1.8828 -1.8823 -0.3318 -0.3316 -0.2209 -0.2203 4.6161 4.6163 5.2194 5.2202 5.3997 5.3998 5.6599 5.6612 5.7434 5.7451 6.1795 6.1805 6.3076 6.3096 k = 0.0000 0.4854 0.6608 ( 8791 PWs) bands (ev): -18.3524 -18.3524 -18.2956 -18.2956 -16.9416 -16.9416 -16.8972 -16.8972 -16.8448 -16.8448 -16.8198 -16.8198 -13.6312 -13.6312 -13.5481 -13.5481 -12.3136 -12.3136 -12.1812 -12.1812 -8.3887 -8.3887 -8.2745 -8.2744 -7.1224 -7.1222 -6.8761 -6.8760 -6.6699 -6.6696 -6.5067 -6.5065 -6.3555 -6.3551 -6.2231 -6.2228 -4.9865 -4.9852 -4.8887 -4.8880 -4.7936 -4.7923 -4.5788 -4.5781 -3.4305 -3.4292 -3.1546 -3.1538 -3.0077 -3.0065 -2.8674 -2.8670 -2.8057 -2.8052 -2.6100 -2.6089 -2.4700 -2.4680 -2.4387 -2.4371 -2.4026 -2.3988 -2.2152 -2.2139 -2.0312 -2.0290 -1.8809 -1.8804 -0.3329 -0.3327 -0.2202 -0.2196 4.6239 4.6241 5.2165 5.2174 5.4155 5.4157 5.6686 5.6699 5.7323 5.7340 6.1617 6.1626 6.2991 6.3012 k = 0.0000 0.5096 0.6608 ( 8787 PWs) bands (ev): -18.3508 -18.3508 -18.2973 -18.2973 -16.9388 -16.9388 -16.8959 -16.8959 -16.8452 -16.8452 -16.8221 -16.8221 -13.6329 -13.6329 -13.5471 -13.5471 -12.3162 -12.3162 -12.1806 -12.1806 -8.3876 -8.3875 -8.2763 -8.2762 -7.1270 -7.1268 -6.8749 -6.8749 -6.6757 -6.6754 -6.5094 -6.5093 -6.3568 -6.3564 -6.2249 -6.2246 -4.9845 -4.9832 -4.8889 -4.8883 -4.7878 -4.7863 -4.5715 -4.5708 -3.4287 -3.4275 -3.1499 -3.1491 -3.0096 -3.0083 -2.8688 -2.8684 -2.8109 -2.8103 -2.6123 -2.6113 -2.4657 -2.4638 -2.4362 -2.4347 -2.4027 -2.3988 -2.2086 -2.2073 -2.0259 -2.0237 -1.8789 -1.8784 -0.3339 -0.3337 -0.2195 -0.2190 4.6326 4.6328 5.2132 5.2141 5.4309 5.4313 5.6770 5.6783 5.7222 5.7241 6.1444 6.1453 6.2896 6.2916 k = 0.0000 0.5339 0.6608 ( 8793 PWs) bands (ev): -18.3492 -18.3492 -18.2991 -18.2991 -16.9359 -16.9359 -16.8945 -16.8945 -16.8457 -16.8457 -16.8245 -16.8245 -13.6346 -13.6346 -13.5462 -13.5462 -12.3186 -12.3185 -12.1800 -12.1800 -8.3867 -8.3866 -8.2779 -8.2778 -7.1312 -7.1310 -6.8740 -6.8740 -6.6816 -6.6813 -6.5123 -6.5122 -6.3581 -6.3577 -6.2267 -6.2264 -4.9825 -4.9811 -4.8897 -4.8892 -4.7810 -4.7795 -4.5640 -4.5632 -3.4270 -3.4260 -3.1450 -3.1441 -3.0114 -3.0101 -2.8700 -2.8696 -2.8162 -2.8157 -2.6158 -2.6148 -2.4618 -2.4600 -2.4338 -2.4325 -2.4021 -2.3982 -2.2019 -2.2007 -2.0212 -2.0191 -1.8769 -1.8764 -0.3348 -0.3346 -0.2189 -0.2184 4.6422 4.6424 5.2094 5.2104 5.4459 5.4463 5.6833 5.6846 5.7151 5.7170 6.1279 6.1289 6.2791 6.2811 k = 0.0000 0.5582 0.6608 ( 8799 PWs) bands (ev): -18.3477 -18.3477 -18.3008 -18.3008 -16.9330 -16.9330 -16.8931 -16.8931 -16.8461 -16.8461 -16.8270 -16.8270 -13.6361 -13.6361 -13.5453 -13.5453 -12.3207 -12.3207 -12.1796 -12.1796 -8.3860 -8.3859 -8.2792 -8.2791 -7.1351 -7.1349 -6.8734 -6.8733 -6.6875 -6.6872 -6.5153 -6.5152 -6.3594 -6.3590 -6.2284 -6.2281 -4.9803 -4.9790 -4.8909 -4.8905 -4.7734 -4.7718 -4.5562 -4.5554 -3.4256 -3.4246 -3.1399 -3.1390 -3.0132 -3.0119 -2.8709 -2.8705 -2.8218 -2.8212 -2.6203 -2.6194 -2.4584 -2.4568 -2.4319 -2.4308 -2.4006 -2.3967 -2.1953 -2.1941 -2.0172 -2.0151 -1.8749 -1.8743 -0.3356 -0.3355 -0.2183 -0.2179 4.6527 4.6529 5.2052 5.2063 5.4600 5.4606 5.6834 5.6850 5.7151 5.7169 6.1126 6.1137 6.2677 6.2697 k = 0.0000 0.5824 0.6608 ( 8795 PWs) bands (ev): -18.3464 -18.3464 -18.3025 -18.3025 -16.9301 -16.9301 -16.8917 -16.8917 -16.8466 -16.8466 -16.8294 -16.8294 -13.6374 -13.6374 -13.5445 -13.5445 -12.3227 -12.3227 -12.1792 -12.1792 -8.3855 -8.3854 -8.2801 -8.2800 -7.1386 -7.1384 -6.8731 -6.8730 -6.6935 -6.6931 -6.5184 -6.5183 -6.3605 -6.3602 -6.2301 -6.2299 -4.9780 -4.9768 -4.8923 -4.8920 -4.7652 -4.7636 -4.5482 -4.5474 -3.4243 -3.4234 -3.1346 -3.1336 -3.0148 -3.0135 -2.8716 -2.8711 -2.8277 -2.8269 -2.6257 -2.6248 -2.4559 -2.4544 -2.4307 -2.4296 -2.3982 -2.3944 -2.1888 -2.1877 -2.0138 -2.0117 -1.8728 -1.8722 -0.3363 -0.3361 -0.2177 -0.2173 4.6641 4.6643 5.2006 5.2017 5.4730 5.4738 5.6770 5.6789 5.7223 5.7240 6.0989 6.1001 6.2555 6.2576 k = 0.0000 0.5824 0.6608 ( 8795 PWs) bands (ev): -18.3464 -18.3464 -18.3025 -18.3025 -16.9301 -16.9301 -16.8917 -16.8917 -16.8466 -16.8466 -16.8294 -16.8294 -13.6374 -13.6374 -13.5445 -13.5445 -12.3227 -12.3227 -12.1792 -12.1792 -8.3855 -8.3854 -8.2801 -8.2800 -7.1386 -7.1384 -6.8731 -6.8730 -6.6935 -6.6931 -6.5184 -6.5183 -6.3605 -6.3602 -6.2301 -6.2299 -4.9780 -4.9768 -4.8923 -4.8920 -4.7652 -4.7636 -4.5482 -4.5474 -3.4243 -3.4234 -3.1346 -3.1336 -3.0148 -3.0135 -2.8716 -2.8711 -2.8277 -2.8269 -2.6257 -2.6248 -2.4559 -2.4544 -2.4307 -2.4296 -2.3982 -2.3944 -2.1888 -2.1877 -2.0138 -2.0117 -1.8728 -1.8722 -0.3363 -0.3361 -0.2177 -0.2173 4.6641 4.6643 5.2006 5.2017 5.4730 5.4738 5.6770 5.6789 5.7223 5.7240 6.0989 6.1001 6.2555 6.2576 k = 0.0000 0.5924 0.6387 ( 8789 PWs) bands (ev): -18.3460 -18.3460 -18.3031 -18.3031 -16.9288 -16.9288 -16.8911 -16.8911 -16.8468 -16.8468 -16.8304 -16.8304 -13.6378 -13.6378 -13.5443 -13.5443 -12.3236 -12.3236 -12.1789 -12.1789 -8.3856 -8.3855 -8.2807 -8.2806 -7.1394 -7.1392 -6.8744 -6.8743 -6.6970 -6.6966 -6.5212 -6.5211 -6.3590 -6.3587 -6.2303 -6.2301 -4.9836 -4.9825 -4.8979 -4.8975 -4.7534 -4.7519 -4.5363 -4.5356 -3.4240 -3.4231 -3.1319 -3.1309 -3.0177 -3.0163 -2.8722 -2.8717 -2.8266 -2.8257 -2.6288 -2.6277 -2.4573 -2.4558 -2.4328 -2.4308 -2.3958 -2.3919 -2.1874 -2.1861 -2.0122 -2.0101 -1.8716 -1.8710 -0.3370 -0.3369 -0.2180 -0.2176 4.6670 4.6672 5.2010 5.2022 5.4785 5.4792 5.6675 5.6694 5.7259 5.7275 6.0945 6.0955 6.2554 6.2574 k = 0.0000 0.6023 0.6167 ( 8780 PWs) bands (ev): -18.3456 -18.3456 -18.3037 -18.3037 -16.9274 -16.9274 -16.8905 -16.8905 -16.8470 -16.8470 -16.8314 -16.8314 -13.6381 -13.6381 -13.5440 -13.5440 -12.3246 -12.3245 -12.1786 -12.1786 -8.3858 -8.3857 -8.2811 -8.2810 -7.1402 -7.1401 -6.8759 -6.8758 -6.7003 -6.7000 -6.5256 -6.5254 -6.3564 -6.3561 -6.2305 -6.2303 -4.9891 -4.9882 -4.9035 -4.9031 -4.7400 -4.7388 -4.5252 -4.5245 -3.4232 -3.4225 -3.1286 -3.1277 -3.0214 -3.0201 -2.8720 -2.8716 -2.8269 -2.8258 -2.6325 -2.6312 -2.4598 -2.4587 -2.4360 -2.4336 -2.3887 -2.3846 -2.1863 -2.1848 -2.0105 -2.0085 -1.8717 -1.8709 -0.3377 -0.3375 -0.2182 -0.2179 4.6707 4.6709 5.2025 5.2036 5.4831 5.4838 5.6549 5.6567 5.7313 5.7328 6.0917 6.0926 6.2558 6.2577 k = 0.0000 0.6123 0.5947 ( 8781 PWs) bands (ev): -18.3454 -18.3454 -18.3043 -18.3043 -16.9258 -16.9258 -16.8898 -16.8898 -16.8474 -16.8474 -16.8324 -16.8324 -13.6383 -13.6383 -13.5438 -13.5438 -12.3254 -12.3254 -12.1784 -12.1784 -8.3860 -8.3859 -8.2815 -8.2814 -7.1411 -7.1410 -6.8776 -6.8775 -6.7034 -6.7030 -6.5312 -6.5310 -6.3530 -6.3527 -6.2307 -6.2304 -4.9947 -4.9939 -4.9090 -4.9086 -4.7255 -4.7244 -4.5149 -4.5142 -3.4222 -3.4214 -3.1249 -3.1240 -3.0258 -3.0246 -2.8711 -2.8707 -2.8287 -2.8274 -2.6364 -2.6349 -2.4635 -2.4628 -2.4382 -2.4360 -2.3790 -2.3749 -2.1855 -2.1839 -2.0090 -2.0070 -1.8729 -1.8720 -0.3382 -0.3381 -0.2184 -0.2181 4.6750 4.6752 5.2048 5.2060 5.4869 5.4874 5.6398 5.6414 5.7381 5.7396 6.0899 6.0907 6.2572 6.2590 k = 0.0000 0.6222 0.5727 ( 8778 PWs) bands (ev): -18.3451 -18.3451 -18.3049 -18.3049 -16.9242 -16.9242 -16.8891 -16.8891 -16.8477 -16.8477 -16.8335 -16.8335 -13.6386 -13.6386 -13.5436 -13.5436 -12.3263 -12.3263 -12.1782 -12.1781 -8.3863 -8.3862 -8.2818 -8.2817 -7.1420 -7.1419 -6.8794 -6.8793 -6.7061 -6.7057 -6.5377 -6.5375 -6.3489 -6.3487 -6.2308 -6.2306 -5.0001 -4.9994 -4.9144 -4.9140 -4.7100 -4.7090 -4.5057 -4.5050 -3.4208 -3.4201 -3.1208 -3.1199 -3.0307 -3.0295 -2.8696 -2.8693 -2.8319 -2.8304 -2.6403 -2.6386 -2.4679 -2.4675 -2.4395 -2.4376 -2.3678 -2.3637 -2.1852 -2.1834 -2.0074 -2.0054 -1.8752 -1.8742 -0.3386 -0.3385 -0.2186 -0.2183 4.6799 4.6800 5.2081 5.2092 5.4900 5.4904 5.6228 5.6244 5.7459 5.7474 6.0884 6.0891 6.2603 6.2619 k = 0.0000 0.6322 0.5507 ( 8783 PWs) bands (ev): -18.3450 -18.3450 -18.3054 -18.3054 -16.9225 -16.9225 -16.8885 -16.8885 -16.8482 -16.8482 -16.8345 -16.8345 -13.6387 -13.6387 -13.5435 -13.5435 -12.3271 -12.3271 -12.1780 -12.1780 -8.3866 -8.3865 -8.2821 -8.2820 -7.1429 -7.1427 -6.8814 -6.8812 -6.7084 -6.7080 -6.5449 -6.5447 -6.3445 -6.3442 -6.2310 -6.2307 -5.0053 -5.0048 -4.9195 -4.9191 -4.6938 -4.6930 -4.4976 -4.4970 -3.4192 -3.4186 -3.1164 -3.1155 -3.0358 -3.0346 -2.8676 -2.8673 -2.8366 -2.8351 -2.6437 -2.6419 -2.4728 -2.4722 -2.4401 -2.4386 -2.3557 -2.3517 -2.1852 -2.1833 -2.0059 -2.0039 -1.8785 -1.8774 -0.3389 -0.3388 -0.2188 -0.2185 4.6851 4.6852 5.2120 5.2132 5.4924 5.4926 5.6048 5.6063 5.7546 5.7561 6.0863 6.0869 6.2657 6.2670 k = 0.0000 0.6421 0.5287 ( 8788 PWs) bands (ev): -18.3449 -18.3449 -18.3059 -18.3059 -16.9208 -16.9208 -16.8879 -16.8879 -16.8486 -16.8486 -16.8355 -16.8355 -13.6389 -13.6389 -13.5433 -13.5433 -12.3278 -12.3278 -12.1778 -12.1778 -8.3869 -8.3868 -8.2823 -8.2822 -7.1437 -7.1436 -6.8833 -6.8832 -6.7103 -6.7099 -6.5523 -6.5521 -6.3398 -6.3397 -6.2311 -6.2309 -5.0103 -5.0099 -4.9242 -4.9239 -4.6773 -4.6766 -4.4910 -4.4904 -3.4175 -3.4169 -3.1118 -3.1109 -3.0407 -3.0397 -2.8654 -2.8650 -2.8426 -2.8410 -2.6465 -2.6446 -2.4775 -2.4767 -2.4403 -2.4391 -2.3430 -2.3390 -2.1858 -2.1836 -2.0044 -2.0024 -1.8827 -1.8814 -0.3391 -0.3390 -0.2189 -0.2187 4.6905 4.6906 5.2167 5.2178 5.4941 5.4943 5.5862 5.5876 5.7640 5.7654 6.0830 6.0834 6.2738 6.2748 k = 0.0000 0.6520 0.5066 ( 8783 PWs) bands (ev): -18.3448 -18.3448 -18.3064 -18.3064 -16.9191 -16.9191 -16.8873 -16.8873 -16.8491 -16.8491 -16.8365 -16.8365 -13.6390 -13.6390 -13.5432 -13.5432 -12.3285 -12.3285 -12.1776 -12.1776 -8.3872 -8.3872 -8.2825 -8.2824 -7.1445 -7.1444 -6.8852 -6.8851 -6.7118 -6.7115 -6.5597 -6.5596 -6.3353 -6.3351 -6.2311 -6.2309 -5.0150 -5.0146 -4.9286 -4.9283 -4.6607 -4.6600 -4.4858 -4.4852 -3.4157 -3.4152 -3.1072 -3.1063 -3.0452 -3.0443 -2.8631 -2.8626 -2.8497 -2.8481 -2.6484 -2.6466 -2.4819 -2.4811 -2.4405 -2.4394 -2.3300 -2.3261 -2.1868 -2.1845 -2.0028 -2.0008 -1.8876 -1.8862 -0.3392 -0.3391 -0.2190 -0.2188 4.6960 4.6961 5.2218 5.2230 5.4951 5.4956 5.5677 5.5691 5.7738 5.7752 6.0780 6.0783 6.2847 6.2855 k = 0.0000 0.6620 0.4846 ( 8786 PWs) bands (ev): -18.3448 -18.3448 -18.3068 -18.3068 -16.9174 -16.9174 -16.8868 -16.8868 -16.8495 -16.8495 -16.8374 -16.8374 -13.6391 -13.6391 -13.5431 -13.5431 -12.3291 -12.3291 -12.1775 -12.1775 -8.3875 -8.3875 -8.2826 -8.2826 -7.1453 -7.1452 -6.8871 -6.8869 -6.7130 -6.7127 -6.5670 -6.5668 -6.3309 -6.3307 -6.2312 -6.2310 -5.0193 -5.0190 -4.9326 -4.9323 -4.6444 -4.6438 -4.4821 -4.4815 -3.4139 -3.4134 -3.1028 -3.1021 -3.0489 -3.0481 -2.8618 -2.8604 -2.8571 -2.8554 -2.6495 -2.6478 -2.4860 -2.4852 -2.4405 -2.4397 -2.3170 -2.3131 -2.1883 -2.1859 -2.0012 -1.9992 -1.8929 -1.8915 -0.3392 -0.3392 -0.2191 -0.2189 4.7014 4.7015 5.2272 5.2284 5.4954 5.4963 5.5499 5.5514 5.7840 5.7852 6.0713 6.0716 6.2982 6.2987 k = 0.0000 0.6719 0.4626 ( 8802 PWs) bands (ev): -18.3447 -18.3447 -18.3072 -18.3072 -16.9159 -16.9159 -16.8864 -16.8864 -16.8500 -16.8500 -16.8383 -16.8383 -13.6391 -13.6391 -13.5430 -13.5430 -12.3296 -12.3296 -12.1774 -12.1774 -8.3878 -8.3878 -8.2828 -8.2827 -7.1461 -7.1460 -6.8888 -6.8887 -6.7139 -6.7136 -6.5737 -6.5736 -6.3268 -6.3267 -6.2312 -6.2310 -5.0232 -5.0229 -4.9362 -4.9359 -4.6286 -4.6280 -4.4798 -4.4793 -3.4121 -3.4117 -3.0991 -3.0985 -3.0514 -3.0507 -2.8671 -2.8656 -2.8574 -2.8567 -2.6500 -2.6484 -2.4898 -2.4889 -2.4406 -2.4399 -2.3042 -2.3004 -2.1904 -2.1879 -1.9995 -1.9976 -1.8985 -1.8970 -0.3393 -0.3392 -0.2192 -0.2191 4.7065 4.7066 5.2327 5.2338 5.4949 5.4965 5.5335 5.5353 5.7942 5.7954 6.0633 6.0636 6.3136 6.3140 k = 0.0000 0.6819 0.4406 ( 8800 PWs) bands (ev): -18.3447 -18.3447 -18.3075 -18.3075 -16.9144 -16.9144 -16.8860 -16.8860 -16.8503 -16.8503 -16.8390 -16.8390 -13.6392 -13.6392 -13.5430 -13.5430 -12.3300 -12.3300 -12.1773 -12.1773 -8.3881 -8.3880 -8.2829 -8.2828 -7.1467 -7.1466 -6.8903 -6.8902 -6.7144 -6.7142 -6.5798 -6.5797 -6.3232 -6.3231 -6.2312 -6.2311 -5.0266 -5.0264 -4.9392 -4.9390 -4.6137 -4.6132 -4.4790 -4.4785 -3.4105 -3.4102 -3.0964 -3.0959 -3.0525 -3.0519 -2.8753 -2.8740 -2.8551 -2.8549 -2.6498 -2.6484 -2.4930 -2.4923 -2.4406 -2.4401 -2.2919 -2.2882 -2.1931 -2.1905 -1.9978 -1.9960 -1.9041 -1.9026 -0.3392 -0.3391 -0.2193 -0.2191 4.7112 4.7113 5.2382 5.2392 5.4931 5.4954 5.5195 5.5219 5.8041 5.8053 6.0546 6.0550 6.3303 6.3306 k = 0.0000 0.6918 0.4186 ( 8798 PWs) bands (ev): -18.3447 -18.3447 -18.3077 -18.3077 -16.9132 -16.9132 -16.8857 -16.8857 -16.8507 -16.8507 -16.8397 -16.8397 -13.6392 -13.6392 -13.5429 -13.5429 -12.3304 -12.3304 -12.1772 -12.1772 -8.3883 -8.3883 -8.2830 -8.2829 -7.1472 -7.1472 -6.8917 -6.8916 -6.7148 -6.7146 -6.5851 -6.5849 -6.3201 -6.3200 -6.2312 -6.2311 -5.0294 -5.0292 -4.9418 -4.9416 -4.6001 -4.5997 -4.4793 -4.4789 -3.4091 -3.4089 -3.0948 -3.0945 -3.0521 -3.0516 -2.8832 -2.8821 -2.8531 -2.8530 -2.6494 -2.6482 -2.4958 -2.4952 -2.4407 -2.4402 -2.2804 -2.2769 -2.1962 -2.1936 -1.9960 -1.9943 -1.9094 -1.9080 -0.3392 -0.3391 -0.2193 -0.2192 4.7153 4.7153 5.2432 5.2441 5.4889 5.4917 5.5100 5.5127 5.8135 5.8145 6.0458 6.0462 6.3473 6.3476 k = 0.0000 0.7018 0.3965 ( 8798 PWs) bands (ev): -18.3447 -18.3447 -18.3079 -18.3079 -16.9121 -16.9121 -16.8855 -16.8855 -16.8509 -16.8509 -16.8402 -16.8402 -13.6392 -13.6392 -13.5429 -13.5429 -12.3307 -12.3307 -12.1772 -12.1772 -8.3885 -8.3885 -8.2830 -8.2830 -7.1477 -7.1476 -6.8927 -6.8927 -6.7150 -6.7148 -6.5893 -6.5892 -6.3176 -6.3176 -6.2312 -6.2311 -5.0317 -5.0315 -4.9438 -4.9436 -4.5884 -4.5881 -4.4805 -4.4802 -3.4080 -3.4078 -3.0941 -3.0940 -3.0507 -3.0503 -2.8901 -2.8892 -2.8515 -2.8514 -2.6487 -2.6478 -2.4981 -2.4975 -2.4407 -2.4404 -2.2700 -2.2669 -2.1996 -2.1971 -1.9943 -1.9929 -1.9139 -1.9128 -0.3391 -0.3391 -0.2194 -0.2193 4.7186 4.7187 5.2476 5.2483 5.4826 5.4849 5.5059 5.5079 5.8219 5.8226 6.0377 6.0381 6.3634 6.3637 k = 0.0000 0.7117 0.3745 ( 8797 PWs) bands (ev): -18.3448 -18.3448 -18.3080 -18.3080 -16.9113 -16.9113 -16.8854 -16.8854 -16.8511 -16.8511 -16.8406 -16.8406 -13.6392 -13.6392 -13.5429 -13.5429 -12.3309 -12.3309 -12.1771 -12.1771 -8.3886 -8.3886 -8.2831 -8.2831 -7.1480 -7.1480 -6.8935 -6.8935 -6.7150 -6.7149 -6.5925 -6.5924 -6.3158 -6.3158 -6.2311 -6.2311 -5.0333 -5.0332 -4.9452 -4.9451 -4.5792 -4.5790 -4.4821 -4.4819 -3.4071 -3.4070 -3.0940 -3.0940 -3.0489 -3.0486 -2.8955 -2.8949 -2.8503 -2.8502 -2.6481 -2.6475 -2.4997 -2.4993 -2.4407 -2.4405 -2.2612 -2.2588 -2.2028 -2.2008 -1.9928 -1.9917 -1.9175 -1.9166 -0.3390 -0.3390 -0.2194 -0.2193 4.7211 4.7212 5.2510 5.2515 5.4765 5.4779 5.5046 5.5058 5.8285 5.8291 6.0311 6.0314 6.3771 6.3773 k = 0.0000 0.7217 0.3525 ( 8790 PWs) bands (ev): -18.3448 -18.3448 -18.3081 -18.3081 -16.9109 -16.9109 -16.8853 -16.8853 -16.8512 -16.8512 -16.8409 -16.8409 -13.6392 -13.6392 -13.5429 -13.5429 -12.3310 -12.3310 -12.1771 -12.1771 -8.3887 -8.3887 -8.2831 -8.2831 -7.1482 -7.1482 -6.8940 -6.8939 -6.7150 -6.7149 -6.5944 -6.5943 -6.3147 -6.3147 -6.2311 -6.2311 -5.0343 -5.0342 -4.9461 -4.9460 -4.5732 -4.5731 -4.4834 -4.4833 -3.4066 -3.4065 -3.0942 -3.0941 -3.0475 -3.0473 -2.8989 -2.8986 -2.8495 -2.8495 -2.6476 -2.6473 -2.5007 -2.5005 -2.4407 -2.4406 -2.2549 -2.2535 -2.2052 -2.2039 -1.9916 -1.9911 -1.9197 -1.9192 -0.3390 -0.3390 -0.2194 -0.2194 4.7226 4.7227 5.2533 5.2535 5.4725 5.4731 5.5042 5.5048 5.8329 5.8332 6.0268 6.0270 6.3864 6.3866 k = 0.0000 0.7316 0.3305 ( 8798 PWs) bands (ev): -18.3448 -18.3448 -18.3082 -18.3082 -16.9107 -16.9107 -16.8853 -16.8853 -16.8513 -16.8513 -16.8410 -16.8410 -13.6392 -13.6392 -13.5429 -13.5429 -12.3311 -12.3311 -12.1771 -12.1771 -8.3887 -8.3887 -8.2831 -8.2831 -7.1483 -7.1483 -6.8941 -6.8941 -6.7150 -6.7150 -6.5950 -6.5950 -6.3143 -6.3143 -6.2311 -6.2311 -5.0346 -5.0346 -4.9463 -4.9463 -4.5711 -4.5711 -4.4839 -4.4839 -3.4064 -3.4064 -3.0942 -3.0942 -3.0469 -3.0469 -2.9000 -2.9000 -2.8492 -2.8492 -2.6473 -2.6473 -2.5010 -2.5010 -2.4406 -2.4406 -2.2521 -2.2521 -2.2056 -2.2056 -1.9910 -1.9910 -1.9203 -1.9203 -0.3390 -0.3390 -0.2194 -0.2194 4.7232 4.7232 5.2541 5.2541 5.4712 5.4712 5.5043 5.5043 5.8345 5.8345 6.0254 6.0254 6.3899 6.3899 k = 0.0000 0.7316 0.3305 ( 8798 PWs) bands (ev): -18.3448 -18.3448 -18.3082 -18.3082 -16.9107 -16.9107 -16.8853 -16.8853 -16.8513 -16.8513 -16.8410 -16.8410 -13.6392 -13.6392 -13.5429 -13.5429 -12.3311 -12.3311 -12.1771 -12.1771 -8.3887 -8.3887 -8.2831 -8.2831 -7.1483 -7.1483 -6.8941 -6.8941 -6.7150 -6.7150 -6.5950 -6.5950 -6.3143 -6.3143 -6.2311 -6.2311 -5.0346 -5.0346 -4.9463 -4.9463 -4.5711 -4.5711 -4.4839 -4.4839 -3.4064 -3.4064 -3.0942 -3.0942 -3.0469 -3.0469 -2.9000 -2.9000 -2.8492 -2.8492 -2.6473 -2.6473 -2.5010 -2.5010 -2.4406 -2.4406 -2.2521 -2.2521 -2.2056 -2.2056 -1.9910 -1.9910 -1.9203 -1.9203 -0.3390 -0.3390 -0.2194 -0.2194 4.7232 4.7232 5.2541 5.2541 5.4712 5.4712 5.5043 5.5043 5.8345 5.8345 6.0254 6.0254 6.3899 6.3899 k = 0.0238 0.7316 0.3305 ( 8790 PWs) bands (ev): -18.3447 -18.3447 -18.3082 -18.3082 -16.9107 -16.9107 -16.8853 -16.8853 -16.8513 -16.8513 -16.8410 -16.8410 -13.6390 -13.6390 -13.5430 -13.5430 -12.3308 -12.3308 -12.1773 -12.1773 -8.3886 -8.3886 -8.2832 -8.2832 -7.1478 -7.1478 -6.8943 -6.8942 -6.7150 -6.7150 -6.5952 -6.5952 -6.3143 -6.3142 -6.2313 -6.2312 -5.0347 -5.0346 -4.9468 -4.9467 -4.5710 -4.5709 -4.4840 -4.4839 -3.4057 -3.4057 -3.0944 -3.0943 -3.0468 -3.0468 -2.9009 -2.9003 -2.8489 -2.8482 -2.6475 -2.6474 -2.5009 -2.5007 -2.4405 -2.4405 -2.2523 -2.2521 -2.2062 -2.2061 -1.9909 -1.9907 -1.9205 -1.9204 -0.3388 -0.3388 -0.2196 -0.2196 4.7240 4.7240 5.2534 5.2534 5.4713 5.4714 5.5045 5.5048 5.8345 5.8347 6.0254 6.0254 6.3895 6.3896 k = 0.0476 0.7316 0.3305 ( 8788 PWs) bands (ev): -18.3446 -18.3446 -18.3084 -18.3084 -16.9106 -16.9106 -16.8855 -16.8855 -16.8512 -16.8512 -16.8410 -16.8410 -13.6387 -13.6387 -13.5434 -13.5434 -12.3302 -12.3302 -12.1779 -12.1779 -8.3881 -8.3881 -8.2837 -8.2837 -7.1465 -7.1465 -6.8947 -6.8946 -6.7148 -6.7148 -6.5957 -6.5957 -6.3141 -6.3140 -6.2317 -6.2317 -5.0351 -5.0349 -4.9480 -4.9478 -4.5706 -4.5704 -4.4843 -4.4841 -3.4037 -3.4037 -3.0947 -3.0946 -3.0465 -3.0465 -2.9027 -2.9018 -2.8473 -2.8461 -2.6480 -2.6478 -2.5004 -2.5000 -2.4400 -2.4400 -2.2527 -2.2525 -2.2078 -2.2075 -1.9905 -1.9899 -1.9210 -1.9208 -0.3384 -0.3384 -0.2202 -0.2202 4.7264 4.7266 5.2512 5.2512 5.4715 5.4716 5.5054 5.5059 5.8346 5.8349 6.0254 6.0255 6.3886 6.3887 k = 0.0714 0.7316 0.3305 ( 8786 PWs) bands (ev): -18.3443 -18.3443 -18.3086 -18.3086 -16.9104 -16.9104 -16.8856 -16.8856 -16.8512 -16.8512 -16.8411 -16.8411 -13.6380 -13.6380 -13.5441 -13.5441 -12.3291 -12.3291 -12.1790 -12.1790 -8.3874 -8.3874 -8.2845 -8.2844 -7.1443 -7.1443 -6.8954 -6.8953 -6.7147 -6.7147 -6.5966 -6.5966 -6.3137 -6.3137 -6.2325 -6.2324 -5.0357 -5.0354 -4.9500 -4.9497 -4.5699 -4.5696 -4.4847 -4.4844 -3.4003 -3.4003 -3.0954 -3.0952 -3.0460 -3.0459 -2.9055 -2.9042 -2.8446 -2.8429 -2.6488 -2.6485 -2.4996 -2.4991 -2.4393 -2.4391 -2.2533 -2.2530 -2.2103 -2.2099 -1.9896 -1.9889 -1.9219 -1.9214 -0.3377 -0.3377 -0.2211 -0.2211 4.7306 4.7308 5.2476 5.2477 5.4719 5.4721 5.5068 5.5076 5.8348 5.8353 6.0254 6.0256 6.3870 6.3873 k = 0.0952 0.7316 0.3305 ( 8794 PWs) bands (ev): -18.3439 -18.3439 -18.3090 -18.3090 -16.9101 -16.9101 -16.8859 -16.8859 -16.8511 -16.8511 -16.8413 -16.8413 -13.6371 -13.6371 -13.5451 -13.5451 -12.3276 -12.3276 -12.1805 -12.1805 -8.3864 -8.3864 -8.2855 -8.2855 -7.1412 -7.1412 -6.8964 -6.8964 -6.7144 -6.7144 -6.5979 -6.5978 -6.3133 -6.3132 -6.2336 -6.2335 -5.0365 -5.0362 -4.9527 -4.9522 -4.5689 -4.5686 -4.4853 -4.4849 -3.3956 -3.3956 -3.0963 -3.0961 -3.0453 -3.0452 -2.9089 -2.9074 -2.8409 -2.8389 -2.6498 -2.6494 -2.4985 -2.4977 -2.4382 -2.4380 -2.2543 -2.2538 -2.2137 -2.2133 -1.9884 -1.9874 -1.9230 -1.9224 -0.3367 -0.3366 -0.2224 -0.2224 4.7363 4.7366 5.2426 5.2427 5.4724 5.4727 5.5088 5.5098 5.8352 5.8359 6.0254 6.0257 6.3850 6.3853 k = 0.1190 0.7316 0.3305 ( 8794 PWs) bands (ev): -18.3435 -18.3435 -18.3094 -18.3094 -16.9098 -16.9098 -16.8862 -16.8862 -16.8510 -16.8510 -16.8414 -16.8414 -13.6360 -13.6360 -13.5463 -13.5463 -12.3257 -12.3257 -12.1823 -12.1823 -8.3852 -8.3852 -8.2869 -8.2868 -7.1373 -7.1373 -6.8978 -6.8978 -6.7140 -6.7139 -6.5995 -6.5993 -6.3127 -6.3125 -6.2350 -6.2348 -5.0375 -5.0370 -4.9561 -4.9555 -4.5677 -4.5673 -4.4861 -4.4856 -3.3897 -3.3896 -3.0975 -3.0973 -3.0444 -3.0442 -2.9129 -2.9112 -2.8365 -2.8341 -2.6512 -2.6507 -2.4970 -2.4961 -2.4369 -2.4367 -2.2554 -2.2549 -2.2179 -2.2175 -1.9870 -1.9857 -1.9243 -1.9236 -0.3353 -0.3353 -0.2241 -0.2241 4.7436 4.7440 5.2363 5.2364 5.4731 5.4735 5.5111 5.5124 5.8359 5.8368 6.0253 6.0256 6.3826 6.3830 k = 0.1429 0.7316 0.3305 ( 8792 PWs) bands (ev): -18.3429 -18.3429 -18.3099 -18.3099 -16.9094 -16.9094 -16.8866 -16.8866 -16.8509 -16.8509 -16.8416 -16.8416 -13.6346 -13.6346 -13.5478 -13.5478 -12.3233 -12.3233 -12.1846 -12.1846 -8.3836 -8.3836 -8.2885 -8.2885 -7.1326 -7.1326 -6.8997 -6.8996 -6.7133 -6.7133 -6.6014 -6.6013 -6.3119 -6.3117 -6.2366 -6.2364 -5.0385 -5.0380 -4.9601 -4.9594 -4.5662 -4.5657 -4.4870 -4.4864 -3.3826 -3.3825 -3.0992 -3.0989 -3.0432 -3.0431 -2.9172 -2.9154 -2.8313 -2.8288 -2.6529 -2.6523 -2.4952 -2.4941 -2.4354 -2.4351 -2.2568 -2.2562 -2.2228 -2.2223 -1.9852 -1.9838 -1.9259 -1.9250 -0.3338 -0.3337 -0.2262 -0.2261 4.7525 4.7529 5.2287 5.2289 5.4740 5.4745 5.5137 5.5152 5.8369 5.8380 6.0249 6.0253 6.3800 6.3805 k = 0.1667 0.7316 0.3305 ( 8794 PWs) bands (ev): -18.3423 -18.3423 -18.3106 -18.3106 -16.9090 -16.9090 -16.8870 -16.8870 -16.8508 -16.8508 -16.8418 -16.8418 -13.6330 -13.6329 -13.5495 -13.5495 -12.3206 -12.3206 -12.1873 -12.1873 -8.3818 -8.3818 -8.2904 -8.2904 -7.1272 -7.1271 -6.9020 -6.9019 -6.7125 -6.7125 -6.6037 -6.6035 -6.3110 -6.3108 -6.2385 -6.2383 -5.0397 -5.0391 -4.9645 -4.9638 -4.5645 -4.5639 -4.4881 -4.4875 -3.3743 -3.3743 -3.1014 -3.1010 -3.0418 -3.0416 -2.9218 -2.9200 -2.8257 -2.8230 -2.6549 -2.6542 -2.4930 -2.4917 -2.4337 -2.4332 -2.2584 -2.2577 -2.2283 -2.2279 -1.9833 -1.9817 -1.9276 -1.9267 -0.3319 -0.3319 -0.2285 -0.2285 4.7628 4.7632 5.2200 5.2202 5.4751 5.4756 5.5164 5.5181 5.8384 5.8396 6.0242 6.0247 6.3773 6.3778 k = 0.1905 0.7316 0.3305 ( 8800 PWs) bands (ev): -18.3415 -18.3415 -18.3113 -18.3113 -16.9085 -16.9085 -16.8876 -16.8876 -16.8506 -16.8506 -16.8421 -16.8421 -13.6311 -13.6311 -13.5515 -13.5515 -12.3175 -12.3175 -12.1903 -12.1903 -8.3798 -8.3798 -8.2925 -8.2925 -7.1209 -7.1209 -6.9048 -6.9047 -6.7113 -6.7113 -6.6063 -6.6062 -6.3099 -6.3097 -6.2407 -6.2404 -5.0409 -5.0402 -4.9695 -4.9686 -4.5625 -4.5618 -4.4894 -4.4887 -3.3651 -3.3651 -3.1041 -3.1037 -3.0401 -3.0399 -2.9266 -2.9248 -2.8195 -2.8167 -2.6573 -2.6564 -2.4905 -2.4891 -2.4318 -2.4313 -2.2603 -2.2595 -2.2343 -2.2339 -1.9813 -1.9796 -1.9296 -1.9285 -0.3298 -0.3298 -0.2312 -0.2312 4.7745 4.7750 5.2102 5.2104 5.4764 5.4770 5.5190 5.5209 5.8404 5.8417 6.0231 6.0237 6.3747 6.3752 k = 0.2143 0.7316 0.3305 ( 8788 PWs) bands (ev): -18.3407 -18.3407 -18.3121 -18.3121 -16.9079 -16.9079 -16.8881 -16.8881 -16.8505 -16.8505 -16.8424 -16.8424 -13.6290 -13.6290 -13.5537 -13.5537 -12.3141 -12.3141 -12.1937 -12.1937 -8.3775 -8.3775 -8.2950 -8.2949 -7.1140 -7.1140 -6.9082 -6.9081 -6.7099 -6.7098 -6.6093 -6.6091 -6.3086 -6.3084 -6.2430 -6.2428 -5.0420 -5.0413 -4.9748 -4.9738 -4.5602 -4.5595 -4.4909 -4.4901 -3.3550 -3.3550 -3.1074 -3.1070 -3.0382 -3.0380 -2.9316 -2.9299 -2.8128 -2.8099 -2.6599 -2.6590 -2.4877 -2.4861 -2.4299 -2.4292 -2.2623 -2.2614 -2.2406 -2.2403 -1.9792 -1.9773 -1.9316 -1.9304 -0.3274 -0.3274 -0.2342 -0.2342 4.7875 4.7880 5.1993 5.1996 5.4779 5.4786 5.5214 5.5235 5.8430 5.8445 6.0215 6.0222 6.3723 6.3729 k = 0.2381 0.7316 0.3305 ( 8800 PWs) bands (ev): -18.3398 -18.3398 -18.3129 -18.3129 -16.9073 -16.9073 -16.8888 -16.8888 -16.8503 -16.8503 -16.8427 -16.8427 -13.6267 -13.6267 -13.5561 -13.5561 -12.3103 -12.3103 -12.1974 -12.1974 -8.3750 -8.3750 -8.2976 -8.2976 -7.1064 -7.1064 -6.9123 -6.9122 -6.7081 -6.7080 -6.6126 -6.6124 -6.3072 -6.3069 -6.2456 -6.2453 -5.0431 -5.0423 -4.9803 -4.9793 -4.5578 -4.5570 -4.4926 -4.4917 -3.3441 -3.3441 -3.1114 -3.1109 -3.0361 -3.0358 -2.9367 -2.9350 -2.8058 -2.8029 -2.6629 -2.6619 -2.4846 -2.4829 -2.4280 -2.4272 -2.2646 -2.2636 -2.2471 -2.2469 -1.9770 -1.9750 -1.9337 -1.9324 -0.3248 -0.3247 -0.2374 -0.2374 4.8016 4.8023 5.1874 5.1877 5.4796 5.4804 5.5234 5.5257 5.8463 5.8480 6.0191 6.0199 6.3704 6.3711 k = 0.2619 0.7316 0.3305 ( 8800 PWs) bands (ev): -18.3388 -18.3388 -18.3139 -18.3139 -16.9067 -16.9067 -16.8894 -16.8894 -16.8501 -16.8501 -16.8430 -16.8430 -13.6243 -13.6243 -13.5587 -13.5587 -12.3062 -12.3061 -12.2014 -12.2014 -8.3723 -8.3723 -8.3005 -8.3004 -7.0983 -7.0982 -6.9170 -6.9169 -6.7058 -6.7058 -6.6162 -6.6160 -6.3056 -6.3053 -6.2483 -6.2480 -5.0441 -5.0432 -4.9860 -4.9850 -4.5552 -4.5543 -4.4945 -4.4935 -3.3325 -3.3324 -3.1161 -3.1156 -3.0336 -3.0333 -2.9419 -2.9403 -2.7985 -2.7955 -2.6663 -2.6651 -2.4811 -2.4793 -2.4261 -2.4252 -2.2670 -2.2660 -2.2536 -2.2536 -1.9748 -1.9728 -1.9359 -1.9345 -0.3219 -0.3219 -0.2409 -0.2409 4.8169 4.8176 5.1745 5.1749 5.4815 5.4824 5.5250 5.5274 5.8505 5.8523 6.0160 6.0168 6.3692 6.3699 k = 0.2857 0.7316 0.3305 ( 8806 PWs) bands (ev): -18.3377 -18.3377 -18.3149 -18.3149 -16.9060 -16.9060 -16.8902 -16.8902 -16.8498 -16.8498 -16.8434 -16.8434 -13.6216 -13.6216 -13.5615 -13.5615 -12.3017 -12.3017 -12.2057 -12.2057 -8.3694 -8.3693 -8.3035 -8.3035 -7.0895 -7.0895 -6.9224 -6.9223 -6.7032 -6.7031 -6.6201 -6.6199 -6.3038 -6.3035 -6.2512 -6.2509 -5.0448 -5.0439 -4.9918 -4.9907 -4.5524 -4.5515 -4.4965 -4.4955 -3.3203 -3.3203 -3.1215 -3.1210 -3.0309 -3.0306 -2.9472 -2.9457 -2.7908 -2.7878 -2.6700 -2.6687 -2.4774 -2.4755 -2.4245 -2.4234 -2.2696 -2.2686 -2.2601 -2.2599 -1.9727 -1.9706 -1.9381 -1.9365 -0.3188 -0.3188 -0.2446 -0.2446 4.8332 4.8339 5.1607 5.1612 5.4836 5.4847 5.5261 5.5286 5.8555 5.8575 6.0119 6.0129 6.3688 6.3695 k = 0.3095 0.7316 0.3305 ( 8810 PWs) bands (ev): -18.3366 -18.3366 -18.3160 -18.3160 -16.9052 -16.9052 -16.8909 -16.8909 -16.8496 -16.8496 -16.8437 -16.8437 -13.6188 -13.6188 -13.5645 -13.5645 -12.2971 -12.2971 -12.2103 -12.2103 -8.3662 -8.3662 -8.3067 -8.3067 -7.0803 -7.0803 -6.9285 -6.9284 -6.7002 -6.7001 -6.6243 -6.6240 -6.3018 -6.3015 -6.2543 -6.2539 -5.0453 -5.0443 -4.9977 -4.9965 -4.5494 -4.5484 -4.4988 -4.4977 -3.3077 -3.3076 -3.1278 -3.1272 -3.0279 -3.0275 -2.9526 -2.9511 -2.7830 -2.7799 -2.6741 -2.6727 -2.4734 -2.4714 -2.4233 -2.4220 -2.2724 -2.2713 -2.2664 -2.2659 -1.9706 -1.9685 -1.9403 -1.9386 -0.3155 -0.3155 -0.2485 -0.2485 4.8504 4.8512 5.1461 5.1466 5.4860 5.4872 5.5266 5.5291 5.8615 5.8635 6.0069 6.0080 6.3694 6.3701 k = 0.3333 0.7316 0.3305 ( 8818 PWs) bands (ev): -18.3355 -18.3355 -18.3171 -18.3171 -16.9044 -16.9044 -16.8917 -16.8917 -16.8493 -16.8493 -16.8441 -16.8441 -13.6158 -13.6158 -13.5676 -13.5676 -12.2922 -12.2922 -12.2152 -12.2152 -8.3630 -8.3629 -8.3102 -8.3101 -7.0707 -7.0707 -6.9353 -6.9352 -6.6968 -6.6967 -6.6287 -6.6285 -6.2996 -6.2993 -6.2574 -6.2570 -5.0456 -5.0445 -5.0034 -5.0022 -4.5463 -4.5453 -4.5012 -4.5001 -3.2948 -3.2946 -3.1348 -3.1342 -3.0246 -3.0242 -2.9580 -2.9566 -2.7749 -2.7719 -2.6786 -2.6770 -2.4691 -2.4670 -2.4225 -2.4209 -2.2753 -2.2744 -2.2721 -2.2711 -1.9686 -1.9664 -1.9425 -1.9407 -0.3120 -0.3120 -0.2525 -0.2525 4.8683 4.8691 5.1306 5.1312 5.4886 5.4899 5.5264 5.5290 5.8684 5.8705 6.0008 6.0021 6.3711 6.3718 k = 0.3571 0.7316 0.3305 ( 8816 PWs) bands (ev): -18.3342 -18.3342 -18.3183 -18.3183 -16.9036 -16.9036 -16.8926 -16.8926 -16.8490 -16.8490 -16.8445 -16.8445 -13.6126 -13.6126 -13.5708 -13.5708 -12.2870 -12.2870 -12.2202 -12.2202 -8.3595 -8.3595 -8.3137 -8.3137 -7.0608 -7.0608 -6.9427 -6.9426 -6.6930 -6.6928 -6.6334 -6.6331 -6.2973 -6.2969 -6.2606 -6.2602 -5.0454 -5.0443 -5.0089 -5.0077 -4.5430 -4.5420 -4.5039 -4.5027 -3.2816 -3.2814 -3.1426 -3.1420 -3.0211 -3.0206 -2.9633 -2.9620 -2.7668 -2.7639 -2.6834 -2.6817 -2.4646 -2.4624 -2.4222 -2.4205 -2.2787 -2.2781 -2.2768 -2.2752 -1.9666 -1.9644 -1.9446 -1.9427 -0.3083 -0.3083 -0.2567 -0.2567 4.8869 4.8877 5.1144 5.1150 5.4914 5.4928 5.5256 5.5283 5.8762 5.8783 5.9938 5.9952 6.3740 6.3747 k = 0.3810 0.7316 0.3305 ( 8822 PWs) bands (ev): -18.3330 -18.3330 -18.3196 -18.3196 -16.9027 -16.9027 -16.8935 -16.8935 -16.8487 -16.8487 -16.8449 -16.8449 -13.6094 -13.6094 -13.5742 -13.5742 -12.2817 -12.2817 -12.2255 -12.2255 -8.3560 -8.3559 -8.3174 -8.3173 -7.0506 -7.0506 -6.9507 -6.9507 -6.6888 -6.6887 -6.6383 -6.6380 -6.2948 -6.2944 -6.2639 -6.2635 -5.0449 -5.0437 -5.0142 -5.0130 -4.5397 -4.5386 -4.5067 -4.5055 -3.2683 -3.2681 -3.1511 -3.1506 -3.0173 -3.0168 -2.9687 -2.9675 -2.7587 -2.7558 -2.6886 -2.6868 -2.4599 -2.4576 -2.4227 -2.4207 -2.2826 -2.2818 -2.2801 -2.2784 -1.9648 -1.9625 -1.9466 -1.9447 -0.3044 -0.3044 -0.2611 -0.2611 4.9060 4.9068 5.0975 5.0981 5.4944 5.4960 5.5242 5.5269 5.8848 5.8869 5.9858 5.9873 6.3781 6.3788 k = 0.4048 0.7316 0.3305 ( 8816 PWs) bands (ev): -18.3317 -18.3317 -18.3209 -18.3209 -16.9018 -16.9018 -16.8944 -16.8944 -16.8483 -16.8483 -16.8453 -16.8453 -13.6060 -13.6060 -13.5776 -13.5776 -12.2763 -12.2763 -12.2309 -12.2309 -8.3523 -8.3522 -8.3211 -8.3211 -7.0401 -7.0401 -6.9593 -6.9593 -6.6844 -6.6842 -6.6433 -6.6430 -6.2921 -6.2917 -6.2672 -6.2667 -5.0439 -5.0427 -5.0192 -5.0179 -4.5363 -4.5352 -4.5096 -4.5084 -3.2550 -3.2548 -3.1604 -3.1599 -3.0132 -3.0127 -2.9740 -2.9729 -2.7507 -2.7478 -2.6942 -2.6922 -2.4551 -2.4527 -2.4239 -2.4217 -2.2859 -2.2849 -2.2829 -2.2811 -1.9629 -1.9606 -1.9486 -1.9466 -0.3004 -0.3004 -0.2654 -0.2654 4.9254 4.9262 5.0799 5.0806 5.4976 5.4993 5.5224 5.5249 5.8941 5.8962 5.9770 5.9786 6.3834 6.3841 k = 0.4286 0.7316 0.3305 ( 8826 PWs) bands (ev): -18.3303 -18.3303 -18.3222 -18.3222 -16.9009 -16.9009 -16.8953 -16.8953 -16.8480 -16.8480 -16.8457 -16.8457 -13.6026 -13.6026 -13.5812 -13.5812 -12.2707 -12.2707 -12.2364 -12.2364 -8.3485 -8.3484 -8.3250 -8.3249 -7.0296 -7.0296 -6.9685 -6.9684 -6.6796 -6.6794 -6.6485 -6.6482 -6.2893 -6.2889 -6.2705 -6.2701 -5.0425 -5.0412 -5.0239 -5.0226 -4.5329 -4.5317 -4.5127 -4.5115 -3.2419 -3.2416 -3.1704 -3.1699 -3.0089 -3.0083 -2.9794 -2.9783 -2.7427 -2.7399 -2.7002 -2.6981 -2.4502 -2.4477 -2.4259 -2.4236 -2.2884 -2.2872 -2.2853 -2.2836 -1.9611 -1.9589 -1.9505 -1.9484 -0.2963 -0.2963 -0.2699 -0.2699 4.9451 4.9459 5.0617 5.0624 5.5009 5.5027 5.5200 5.5225 5.9040 5.9062 5.9674 5.9691 6.3899 6.3906 k = 0.4524 0.7316 0.3305 ( 8820 PWs) bands (ev): -18.3290 -18.3290 -18.3235 -18.3235 -16.9000 -16.9000 -16.8962 -16.8962 -16.8476 -16.8476 -16.8461 -16.8461 -13.5991 -13.5991 -13.5847 -13.5847 -12.2650 -12.2650 -12.2421 -12.2421 -8.3446 -8.3446 -8.3289 -8.3288 -7.0190 -7.0190 -6.9780 -6.9780 -6.6747 -6.6744 -6.6537 -6.6535 -6.2864 -6.2860 -6.2738 -6.2733 -5.0406 -5.0393 -5.0282 -5.0268 -4.5294 -4.5283 -4.5159 -4.5147 -3.2290 -3.2286 -3.1810 -3.1806 -3.0044 -3.0037 -2.9846 -2.9837 -2.7349 -2.7322 -2.7065 -2.7042 -2.4453 -2.4428 -2.4287 -2.4262 -2.2899 -2.2885 -2.2874 -2.2857 -1.9594 -1.9571 -1.9523 -1.9502 -0.2920 -0.2920 -0.2744 -0.2743 4.9649 4.9657 5.0430 5.0438 5.5042 5.5062 5.5172 5.5197 5.9144 5.9165 5.9573 5.9591 6.3975 6.3983 k = 0.4762 0.7316 0.3305 ( 8818 PWs) bands (ev): -18.3276 -18.3276 -18.3249 -18.3249 -16.8990 -16.8990 -16.8971 -16.8971 -16.8473 -16.8473 -16.8465 -16.8465 -13.5955 -13.5955 -13.5883 -13.5883 -12.2593 -12.2593 -12.2478 -12.2478 -8.3407 -8.3407 -8.3328 -8.3328 -7.0085 -7.0085 -6.9879 -6.9879 -6.6696 -6.6693 -6.6590 -6.6588 -6.2834 -6.2829 -6.2770 -6.2766 -5.0382 -5.0369 -5.0320 -5.0307 -4.5260 -4.5248 -4.5192 -4.5180 -3.2163 -3.2160 -3.1923 -3.1919 -2.9996 -2.9989 -2.9897 -2.9889 -2.7274 -2.7248 -2.7131 -2.7108 -2.4406 -2.4380 -2.4321 -2.4296 -2.2905 -2.2891 -2.2889 -2.2874 -1.9576 -1.9554 -1.9541 -1.9520 -0.2877 -0.2877 -0.2788 -0.2788 4.9847 4.9855 5.0239 5.0247 5.5076 5.5097 5.5142 5.5166 5.9251 5.9272 5.9467 5.9486 6.4062 6.4069 k = 0.5000 0.7316 0.3305 ( 8812 PWs) bands (ev): -18.3262 -18.3262 -18.3262 -18.3262 -16.8981 -16.8981 -16.8981 -16.8981 -16.8469 -16.8469 -16.8469 -16.8469 -13.5919 -13.5919 -13.5919 -13.5919 -12.2535 -12.2535 -12.2535 -12.2535 -8.3368 -8.3368 -8.3367 -8.3367 -6.9981 -6.9981 -6.9981 -6.9981 -6.6643 -6.6643 -6.6641 -6.6641 -6.2802 -6.2802 -6.2798 -6.2798 -5.0353 -5.0353 -5.0340 -5.0340 -4.5225 -4.5225 -4.5213 -4.5213 -3.2041 -3.2041 -3.2037 -3.2037 -2.9948 -2.9948 -2.9940 -2.9940 -2.7201 -2.7201 -2.7176 -2.7176 -2.4361 -2.4361 -2.4336 -2.4336 -2.2901 -2.2901 -2.2885 -2.2885 -1.9559 -1.9559 -1.9537 -1.9537 -0.2833 -0.2833 -0.2833 -0.2833 5.0044 5.0044 5.0052 5.0052 5.5110 5.5110 5.5132 5.5132 5.9360 5.9360 5.9379 5.9379 6.4158 6.4158 k = 0.5000 0.7316 0.3305 ( 8812 PWs) bands (ev): -18.3262 -18.3262 -18.3262 -18.3262 -16.8981 -16.8981 -16.8981 -16.8981 -16.8469 -16.8469 -16.8469 -16.8469 -13.5919 -13.5919 -13.5919 -13.5919 -12.2535 -12.2535 -12.2535 -12.2535 -8.3368 -8.3368 -8.3367 -8.3367 -6.9981 -6.9981 -6.9981 -6.9981 -6.6643 -6.6643 -6.6641 -6.6641 -6.2802 -6.2802 -6.2798 -6.2798 -5.0353 -5.0353 -5.0340 -5.0340 -4.5225 -4.5225 -4.5213 -4.5213 -3.2041 -3.2041 -3.2037 -3.2037 -2.9948 -2.9948 -2.9940 -2.9940 -2.7201 -2.7201 -2.7176 -2.7176 -2.4361 -2.4361 -2.4336 -2.4336 -2.2901 -2.2901 -2.2885 -2.2885 -1.9559 -1.9559 -1.9537 -1.9537 -0.2833 -0.2833 -0.2833 -0.2833 5.0044 5.0044 5.0052 5.0052 5.5110 5.5110 5.5132 5.5132 5.9360 5.9360 5.9379 5.9379 6.4158 6.4158 k = 0.5000 0.7416 0.3085 ( 8816 PWs) bands (ev): -18.3262 -18.3262 -18.3262 -18.3262 -16.8982 -16.8982 -16.8982 -16.8982 -16.8468 -16.8468 -16.8468 -16.8468 -13.5919 -13.5919 -13.5919 -13.5919 -12.2535 -12.2535 -12.2535 -12.2535 -8.3368 -8.3368 -8.3367 -8.3367 -6.9981 -6.9981 -6.9981 -6.9981 -6.6639 -6.6639 -6.6636 -6.6636 -6.2805 -6.2805 -6.2800 -6.2800 -5.0348 -5.0348 -5.0335 -5.0335 -4.5236 -4.5236 -4.5224 -4.5224 -3.2048 -3.2048 -3.2044 -3.2044 -2.9937 -2.9937 -2.9929 -2.9929 -2.7204 -2.7204 -2.7179 -2.7179 -2.4361 -2.4361 -2.4335 -2.4335 -2.2903 -2.2903 -2.2886 -2.2886 -1.9558 -1.9558 -1.9536 -1.9536 -0.2833 -0.2833 -0.2833 -0.2833 5.0031 5.0031 5.0039 5.0039 5.5127 5.5127 5.5149 5.5149 5.9346 5.9346 5.9366 5.9366 6.4171 6.4171 k = 0.5000 0.7515 0.2865 ( 8822 PWs) bands (ev): -18.3262 -18.3262 -18.3262 -18.3262 -16.8985 -16.8985 -16.8985 -16.8985 -16.8466 -16.8466 -16.8466 -16.8466 -13.5919 -13.5919 -13.5919 -13.5919 -12.2535 -12.2535 -12.2535 -12.2535 -8.3367 -8.3367 -8.3367 -8.3367 -6.9980 -6.9980 -6.9980 -6.9980 -6.6626 -6.6626 -6.6624 -6.6624 -6.2812 -6.2812 -6.2807 -6.2807 -5.0333 -5.0333 -5.0320 -5.0320 -4.5266 -4.5266 -4.5254 -4.5254 -3.2069 -3.2069 -3.2064 -3.2064 -2.9905 -2.9905 -2.9897 -2.9897 -2.7211 -2.7211 -2.7186 -2.7186 -2.4359 -2.4359 -2.4333 -2.4333 -2.2906 -2.2906 -2.2889 -2.2889 -1.9557 -1.9557 -1.9535 -1.9535 -0.2833 -0.2833 -0.2832 -0.2832 4.9994 4.9994 5.0001 5.0001 5.5176 5.5176 5.5198 5.5198 5.9305 5.9305 5.9325 5.9325 6.4210 6.4210 k = 0.5000 0.7615 0.2644 ( 8830 PWs) bands (ev): -18.3261 -18.3261 -18.3261 -18.3261 -16.8989 -16.8989 -16.8989 -16.8989 -16.8463 -16.8463 -16.8463 -16.8463 -13.5919 -13.5919 -13.5919 -13.5919 -12.2534 -12.2534 -12.2534 -12.2534 -8.3366 -8.3366 -8.3366 -8.3366 -6.9979 -6.9979 -6.9979 -6.9979 -6.6606 -6.6606 -6.6603 -6.6603 -6.2823 -6.2823 -6.2819 -6.2819 -5.0307 -5.0307 -5.0294 -5.0294 -4.5316 -4.5316 -4.5304 -4.5304 -3.2102 -3.2102 -3.2097 -3.2097 -2.9854 -2.9854 -2.9845 -2.9845 -2.7222 -2.7222 -2.7197 -2.7197 -2.4356 -2.4356 -2.4330 -2.4330 -2.2911 -2.2911 -2.2895 -2.2895 -1.9554 -1.9554 -1.9533 -1.9533 -0.2833 -0.2833 -0.2832 -0.2832 4.9934 4.9934 4.9941 4.9941 5.5256 5.5256 5.5278 5.5278 5.9240 5.9240 5.9260 5.9260 6.4272 6.4272 k = 0.5000 0.7714 0.2424 ( 8830 PWs) bands (ev): -18.3260 -18.3260 -18.3260 -18.3260 -16.8996 -16.8996 -16.8996 -16.8996 -16.8459 -16.8459 -16.8459 -16.8459 -13.5919 -13.5919 -13.5919 -13.5919 -12.2533 -12.2533 -12.2533 -12.2533 -8.3365 -8.3365 -8.3364 -8.3364 -6.9978 -6.9978 -6.9977 -6.9977 -6.6577 -6.6577 -6.6575 -6.6575 -6.2839 -6.2839 -6.2835 -6.2835 -5.0272 -5.0272 -5.0259 -5.0259 -4.5384 -4.5384 -4.5372 -4.5372 -3.2145 -3.2145 -3.2139 -3.2139 -2.9787 -2.9787 -2.9778 -2.9778 -2.7237 -2.7237 -2.7213 -2.7213 -2.4352 -2.4352 -2.4326 -2.4326 -2.2919 -2.2919 -2.2903 -2.2903 -1.9550 -1.9550 -1.9530 -1.9530 -0.2832 -0.2832 -0.2832 -0.2832 4.9855 4.9855 4.9862 4.9862 5.5363 5.5363 5.5385 5.5385 5.9152 5.9152 5.9173 5.9173 6.4354 6.4354 k = 0.5000 0.7813 0.2204 ( 8820 PWs) bands (ev): -18.3259 -18.3259 -18.3259 -18.3259 -16.9003 -16.9003 -16.9003 -16.9003 -16.8454 -16.8454 -16.8454 -16.8454 -13.5919 -13.5919 -13.5919 -13.5919 -12.2531 -12.2531 -12.2531 -12.2531 -8.3363 -8.3363 -8.3363 -8.3363 -6.9976 -6.9976 -6.9975 -6.9975 -6.6542 -6.6542 -6.6539 -6.6539 -6.2858 -6.2858 -6.2853 -6.2853 -5.0227 -5.0227 -5.0214 -5.0214 -4.5470 -4.5470 -4.5459 -4.5459 -3.2195 -3.2195 -3.2188 -3.2188 -2.9707 -2.9707 -2.9697 -2.9697 -2.7254 -2.7254 -2.7231 -2.7231 -2.4347 -2.4347 -2.4321 -2.4321 -2.2929 -2.2929 -2.2913 -2.2913 -1.9546 -1.9546 -1.9526 -1.9526 -0.2831 -0.2831 -0.2831 -0.2831 4.9761 4.9761 4.9768 4.9768 5.5493 5.5493 5.5515 5.5515 5.9045 5.9045 5.9066 5.9066 6.4452 6.4452 k = 0.5000 0.7913 0.1984 ( 8824 PWs) bands (ev): -18.3257 -18.3257 -18.3257 -18.3257 -16.9012 -16.9012 -16.9012 -16.9012 -16.8448 -16.8448 -16.8448 -16.8448 -13.5919 -13.5919 -13.5919 -13.5919 -12.2529 -12.2529 -12.2529 -12.2529 -8.3361 -8.3361 -8.3361 -8.3361 -6.9974 -6.9974 -6.9973 -6.9973 -6.6500 -6.6500 -6.6498 -6.6498 -6.2879 -6.2879 -6.2875 -6.2875 -5.0174 -5.0174 -5.0161 -5.0161 -4.5573 -4.5573 -4.5561 -4.5561 -3.2249 -3.2249 -3.2241 -3.2241 -2.9618 -2.9618 -2.9608 -2.9608 -2.7274 -2.7274 -2.7250 -2.7250 -2.4342 -2.4342 -2.4314 -2.4314 -2.2942 -2.2942 -2.2927 -2.2927 -1.9542 -1.9542 -1.9522 -1.9522 -0.2830 -0.2830 -0.2830 -0.2830 4.9656 4.9656 4.9663 4.9663 5.5641 5.5641 5.5664 5.5664 5.8923 5.8923 5.8944 5.8944 6.4562 6.4562 k = 0.5000 0.8012 0.1764 ( 8820 PWs) bands (ev): -18.3256 -18.3256 -18.3256 -18.3256 -16.9022 -16.9022 -16.9022 -16.9022 -16.8442 -16.8442 -16.8442 -16.8442 -13.5919 -13.5919 -13.5919 -13.5919 -12.2527 -12.2527 -12.2527 -12.2527 -8.3359 -8.3359 -8.3358 -8.3358 -6.9972 -6.9972 -6.9971 -6.9971 -6.6453 -6.6453 -6.6451 -6.6451 -6.2903 -6.2903 -6.2899 -6.2899 -5.0112 -5.0112 -5.0100 -5.0100 -4.5691 -4.5691 -4.5679 -4.5679 -3.2305 -3.2305 -3.2297 -3.2297 -2.9524 -2.9524 -2.9513 -2.9513 -2.7293 -2.7293 -2.7271 -2.7271 -2.4335 -2.4335 -2.4308 -2.4308 -2.2957 -2.2957 -2.2942 -2.2942 -1.9538 -1.9538 -1.9519 -1.9519 -0.2829 -0.2829 -0.2828 -0.2828 4.9546 4.9546 4.9552 4.9552 5.5803 5.5803 5.5826 5.5826 5.8788 5.8788 5.8810 5.8810 6.4678 6.4678 k = 0.5000 0.8112 0.1543 ( 8822 PWs) bands (ev): -18.3254 -18.3254 -18.3254 -18.3254 -16.9033 -16.9033 -16.9033 -16.9033 -16.8435 -16.8435 -16.8435 -16.8435 -13.5919 -13.5919 -13.5919 -13.5919 -12.2525 -12.2525 -12.2525 -12.2525 -8.3356 -8.3356 -8.3356 -8.3356 -6.9969 -6.9969 -6.9969 -6.9969 -6.6401 -6.6401 -6.6399 -6.6399 -6.2928 -6.2928 -6.2924 -6.2924 -5.0044 -5.0044 -5.0031 -5.0031 -4.5821 -4.5821 -4.5810 -4.5810 -3.2361 -3.2361 -3.2352 -3.2352 -2.9428 -2.9428 -2.9417 -2.9417 -2.7312 -2.7312 -2.7290 -2.7290 -2.4328 -2.4328 -2.4301 -2.4301 -2.2975 -2.2975 -2.2961 -2.2961 -1.9534 -1.9534 -1.9516 -1.9516 -0.2827 -0.2827 -0.2826 -0.2826 4.9433 4.9433 4.9439 4.9439 5.5975 5.5975 5.5999 5.5999 5.8645 5.8645 5.8667 5.8667 6.4797 6.4797 k = 0.5000 0.8211 0.1323 ( 8820 PWs) bands (ev): -18.3252 -18.3252 -18.3252 -18.3252 -16.9044 -16.9044 -16.9044 -16.9044 -16.8428 -16.8428 -16.8428 -16.8428 -13.5919 -13.5919 -13.5919 -13.5919 -12.2522 -12.2522 -12.2522 -12.2522 -8.3353 -8.3353 -8.3353 -8.3353 -6.9967 -6.9967 -6.9966 -6.9966 -6.6347 -6.6347 -6.6345 -6.6345 -6.2953 -6.2953 -6.2949 -6.2949 -4.9969 -4.9969 -4.9957 -4.9957 -4.5962 -4.5962 -4.5951 -4.5951 -3.2416 -3.2416 -3.2407 -3.2407 -2.9334 -2.9334 -2.9322 -2.9322 -2.7327 -2.7327 -2.7306 -2.7306 -2.4321 -2.4321 -2.4294 -2.4294 -2.2995 -2.2995 -2.2982 -2.2982 -1.9531 -1.9531 -1.9514 -1.9514 -0.2825 -0.2825 -0.2823 -0.2823 4.9322 4.9322 4.9327 4.9327 5.6153 5.6153 5.6177 5.6177 5.8496 5.8496 5.8518 5.8518 6.4913 6.4913 k = 0.5000 0.8311 0.1103 ( 8810 PWs) bands (ev): -18.3251 -18.3251 -18.3251 -18.3251 -16.9056 -16.9056 -16.9056 -16.9056 -16.8421 -16.8421 -16.8421 -16.8421 -13.5919 -13.5919 -13.5919 -13.5919 -12.2520 -12.2520 -12.2520 -12.2520 -8.3350 -8.3350 -8.3350 -8.3350 -6.9965 -6.9965 -6.9964 -6.9964 -6.6290 -6.6290 -6.6288 -6.6288 -6.2977 -6.2977 -6.2973 -6.2973 -4.9889 -4.9889 -4.9877 -4.9877 -4.6112 -4.6112 -4.6101 -4.6101 -3.2468 -3.2468 -3.2459 -3.2459 -2.9246 -2.9246 -2.9232 -2.9232 -2.7337 -2.7337 -2.7317 -2.7317 -2.4315 -2.4315 -2.4288 -2.4288 -2.3017 -2.3017 -2.3004 -2.3004 -1.9529 -1.9529 -1.9513 -1.9513 -0.2822 -0.2822 -0.2820 -0.2820 4.9214 4.9214 4.9219 4.9219 5.6333 5.6333 5.6358 5.6358 5.8345 5.8345 5.8369 5.8369 6.5024 6.5024 k = 0.5000 0.8410 0.0883 ( 8810 PWs) bands (ev): -18.3249 -18.3249 -18.3249 -18.3249 -16.9068 -16.9068 -16.9068 -16.9068 -16.8413 -16.8413 -16.8413 -16.8413 -13.5919 -13.5919 -13.5918 -13.5918 -12.2517 -12.2517 -12.2517 -12.2517 -8.3347 -8.3347 -8.3346 -8.3346 -6.9962 -6.9962 -6.9962 -6.9962 -6.6234 -6.6234 -6.6232 -6.6232 -6.2998 -6.2998 -6.2995 -6.2995 -4.9805 -4.9805 -4.9793 -4.9793 -4.6267 -4.6267 -4.6257 -4.6257 -3.2517 -3.2517 -3.2508 -3.2508 -2.9165 -2.9165 -2.9152 -2.9152 -2.7340 -2.7340 -2.7321 -2.7321 -2.4310 -2.4310 -2.4283 -2.4283 -2.3041 -2.3041 -2.3029 -2.3029 -1.9529 -1.9529 -1.9514 -1.9514 -0.2818 -0.2818 -0.2816 -0.2816 4.9114 4.9114 4.9118 4.9118 5.6510 5.6510 5.6536 5.6536 5.8198 5.8198 5.8221 5.8221 6.5125 6.5125 k = 0.5000 0.8510 0.0663 ( 8802 PWs) bands (ev): -18.3247 -18.3247 -18.3247 -18.3247 -16.9079 -16.9079 -16.9079 -16.9079 -16.8406 -16.8406 -16.8406 -16.8406 -13.5918 -13.5918 -13.5918 -13.5918 -12.2514 -12.2514 -12.2514 -12.2514 -8.3344 -8.3344 -8.3343 -8.3343 -6.9961 -6.9961 -6.9960 -6.9960 -6.6179 -6.6179 -6.6178 -6.6178 -6.3017 -6.3017 -6.3014 -6.3014 -4.9718 -4.9718 -4.9706 -4.9706 -4.6426 -4.6426 -4.6416 -4.6416 -3.2561 -3.2561 -3.2552 -3.2552 -2.9097 -2.9097 -2.9082 -2.9082 -2.7334 -2.7334 -2.7317 -2.7317 -2.4306 -2.4306 -2.4279 -2.4279 -2.3065 -2.3065 -2.3054 -2.3054 -1.9531 -1.9531 -1.9516 -1.9516 -0.2813 -0.2813 -0.2812 -0.2812 4.9022 4.9022 4.9027 4.9027 5.6678 5.6678 5.6705 5.6705 5.8058 5.8058 5.8083 5.8083 6.5212 6.5212 k = 0.5000 0.8609 0.0443 ( 8796 PWs) bands (ev): -18.3246 -18.3246 -18.3246 -18.3246 -16.9090 -16.9090 -16.9090 -16.9090 -16.8399 -16.8399 -16.8399 -16.8399 -13.5917 -13.5917 -13.5917 -13.5917 -12.2510 -12.2510 -12.2510 -12.2510 -8.3341 -8.3341 -8.3340 -8.3340 -6.9959 -6.9959 -6.9958 -6.9958 -6.6128 -6.6128 -6.6126 -6.6126 -6.3032 -6.3032 -6.3029 -6.3029 -4.9629 -4.9629 -4.9617 -4.9617 -4.6585 -4.6585 -4.6575 -4.6575 -3.2601 -3.2601 -3.2592 -3.2592 -2.9042 -2.9042 -2.9027 -2.9027 -2.7318 -2.7318 -2.7303 -2.7303 -2.4304 -2.4304 -2.4278 -2.4278 -2.3089 -2.3089 -2.3079 -2.3079 -1.9535 -1.9535 -1.9521 -1.9521 -0.2808 -0.2808 -0.2806 -0.2806 4.8941 4.8941 4.8946 4.8946 5.6827 5.6827 5.6855 5.6855 5.7937 5.7937 5.7962 5.7962 6.5284 6.5284 k = 0.5000 0.8709 0.0222 ( 8788 PWs) bands (ev): -18.3244 -18.3244 -18.3244 -18.3244 -16.9101 -16.9101 -16.9101 -16.9101 -16.8392 -16.8392 -16.8392 -16.8392 -13.5917 -13.5917 -13.5917 -13.5917 -12.2507 -12.2507 -12.2507 -12.2507 -8.3337 -8.3337 -8.3337 -8.3337 -6.9959 -6.9959 -6.9958 -6.9958 -6.6081 -6.6081 -6.6079 -6.6079 -6.3042 -6.3042 -6.3039 -6.3039 -4.9540 -4.9540 -4.9528 -4.9528 -4.6741 -4.6741 -4.6732 -4.6732 -3.2635 -3.2635 -3.2626 -3.2626 -2.9002 -2.9002 -2.8987 -2.8987 -2.7293 -2.7293 -2.7278 -2.7278 -2.4306 -2.4306 -2.4279 -2.4279 -2.3112 -2.3112 -2.3103 -2.3103 -1.9541 -1.9541 -1.9527 -1.9527 -0.2802 -0.2802 -0.2800 -0.2800 4.8873 4.8873 4.8877 4.8877 5.6941 5.6941 5.6969 5.6969 5.7852 5.7852 5.7876 5.7876 6.5337 6.5337 k = 0.5000 0.8808 0.0002 ( 8786 PWs) bands (ev): -18.3243 -18.3243 -18.3243 -18.3243 -16.9110 -16.9110 -16.9110 -16.9110 -16.8386 -16.8386 -16.8386 -16.8386 -13.5916 -13.5916 -13.5916 -13.5916 -12.2504 -12.2504 -12.2504 -12.2504 -8.3334 -8.3334 -8.3333 -8.3333 -6.9958 -6.9958 -6.9957 -6.9957 -6.6041 -6.6041 -6.6039 -6.6039 -6.3046 -6.3046 -6.3044 -6.3044 -4.9451 -4.9451 -4.9441 -4.9441 -4.6892 -4.6892 -4.6882 -4.6882 -3.2665 -3.2665 -3.2655 -3.2655 -2.8979 -2.8979 -2.8963 -2.8963 -2.7257 -2.7257 -2.7245 -2.7245 -2.4310 -2.4310 -2.4284 -2.4284 -2.3134 -2.3134 -2.3125 -2.3125 -1.9550 -1.9550 -1.9536 -1.9536 -0.2795 -0.2795 -0.2793 -0.2793 4.8817 4.8817 4.8821 4.8821 5.6995 5.6995 5.7021 5.7021 5.7829 5.7829 5.7849 5.7849 6.5370 6.5370 k = 0.5000 0.8808 0.0002 ( 8786 PWs) bands (ev): -18.3243 -18.3243 -18.3243 -18.3243 -16.9110 -16.9110 -16.9110 -16.9110 -16.8386 -16.8386 -16.8386 -16.8386 -13.5916 -13.5916 -13.5916 -13.5916 -12.2504 -12.2504 -12.2504 -12.2504 -8.3334 -8.3334 -8.3333 -8.3333 -6.9958 -6.9958 -6.9957 -6.9957 -6.6041 -6.6041 -6.6039 -6.6039 -6.3046 -6.3046 -6.3044 -6.3044 -4.9451 -4.9451 -4.9441 -4.9441 -4.6892 -4.6892 -4.6882 -4.6882 -3.2665 -3.2665 -3.2655 -3.2655 -2.8979 -2.8979 -2.8963 -2.8963 -2.7257 -2.7257 -2.7245 -2.7245 -2.4310 -2.4310 -2.4284 -2.4284 -2.3134 -2.3134 -2.3125 -2.3125 -1.9550 -1.9550 -1.9536 -1.9536 -0.2795 -0.2795 -0.2793 -0.2793 4.8817 4.8817 4.8821 4.8821 5.6995 5.6995 5.7021 5.7021 5.7829 5.7829 5.7849 5.7849 6.5370 6.5370 k = 0.5000 0.8709-0.0218 ( 8788 PWs) bands (ev): -18.3244 -18.3244 -18.3244 -18.3244 -16.9101 -16.9101 -16.9101 -16.9101 -16.8393 -16.8393 -16.8393 -16.8393 -13.5917 -13.5917 -13.5917 -13.5917 -12.2507 -12.2507 -12.2507 -12.2507 -8.3333 -8.3333 -8.3332 -8.3332 -6.9964 -6.9964 -6.9963 -6.9963 -6.6048 -6.6048 -6.6046 -6.6046 -6.3062 -6.3062 -6.3060 -6.3060 -4.9368 -4.9368 -4.9358 -4.9358 -4.6965 -4.6965 -4.6955 -4.6955 -3.2646 -3.2646 -3.2637 -3.2637 -2.8999 -2.8999 -2.8983 -2.8983 -2.7280 -2.7280 -2.7268 -2.7268 -2.4290 -2.4290 -2.4263 -2.4263 -2.3088 -2.3088 -2.3079 -2.3079 -1.9550 -1.9550 -1.9536 -1.9536 -0.2794 -0.2794 -0.2793 -0.2793 4.8838 4.8838 4.8843 4.8843 5.6967 5.6967 5.6989 5.6989 5.7879 5.7879 5.7896 5.7896 6.5316 6.5316 k = 0.5000 0.8609-0.0438 ( 8794 PWs) bands (ev): -18.3244 -18.3244 -18.3244 -18.3244 -16.9091 -16.9091 -16.9091 -16.9091 -16.8400 -16.8400 -16.8400 -16.8400 -13.5918 -13.5918 -13.5918 -13.5918 -12.2509 -12.2509 -12.2509 -12.2509 -8.3332 -8.3332 -8.3331 -8.3331 -6.9971 -6.9971 -6.9970 -6.9970 -6.6062 -6.6062 -6.6059 -6.6059 -6.3072 -6.3072 -6.3070 -6.3070 -4.9293 -4.9293 -4.9283 -4.9283 -4.7025 -4.7025 -4.7016 -4.7016 -3.2624 -3.2624 -3.2614 -3.2614 -2.9033 -2.9033 -2.9017 -2.9017 -2.7292 -2.7292 -2.7280 -2.7280 -2.4274 -2.4274 -2.4247 -2.4247 -2.3041 -2.3041 -2.3032 -2.3032 -1.9552 -1.9552 -1.9538 -1.9538 -0.2793 -0.2793 -0.2791 -0.2791 4.8871 4.8871 4.8876 4.8876 5.6882 5.6882 5.6902 5.6902 5.7985 5.7985 5.8000 5.8000 6.5243 6.5243 k = 0.5000 0.8510-0.0659 ( 8802 PWs) bands (ev): -18.3245 -18.3245 -18.3245 -18.3245 -16.9081 -16.9081 -16.9081 -16.9081 -16.8408 -16.8408 -16.8408 -16.8408 -13.5919 -13.5919 -13.5919 -13.5919 -12.2512 -12.2512 -12.2512 -12.2512 -8.3330 -8.3330 -8.3330 -8.3330 -6.9978 -6.9978 -6.9977 -6.9977 -6.6082 -6.6082 -6.6079 -6.6079 -6.3077 -6.3077 -6.3074 -6.3074 -4.9229 -4.9229 -4.9218 -4.9218 -4.7071 -4.7071 -4.7062 -4.7062 -3.2598 -3.2598 -3.2588 -3.2588 -2.9081 -2.9081 -2.9065 -2.9065 -2.7293 -2.7293 -2.7281 -2.7281 -2.4263 -2.4263 -2.4234 -2.4234 -2.2994 -2.2994 -2.2984 -2.2984 -1.9556 -1.9556 -1.9543 -1.9543 -0.2791 -0.2791 -0.2789 -0.2789 4.8914 4.8914 4.8919 4.8919 5.6765 5.6765 5.6784 5.6784 5.8124 5.8124 5.8138 5.8138 6.5151 6.5151 k = 0.5000 0.8410-0.0879 ( 8814 PWs) bands (ev): -18.3246 -18.3246 -18.3246 -18.3246 -16.9070 -16.9070 -16.9070 -16.9070 -16.8416 -16.8416 -16.8416 -16.8416 -13.5920 -13.5920 -13.5920 -13.5920 -12.2515 -12.2515 -12.2515 -12.2515 -8.3329 -8.3329 -8.3329 -8.3329 -6.9986 -6.9986 -6.9985 -6.9985 -6.6108 -6.6108 -6.6104 -6.6104 -6.3075 -6.3075 -6.3073 -6.3073 -4.9177 -4.9177 -4.9167 -4.9167 -4.7102 -4.7102 -4.7093 -4.7093 -3.2568 -3.2568 -3.2558 -3.2558 -2.9141 -2.9141 -2.9124 -2.9124 -2.7283 -2.7283 -2.7272 -2.7272 -2.4255 -2.4255 -2.4226 -2.4226 -2.2947 -2.2947 -2.2936 -2.2936 -1.9563 -1.9563 -1.9549 -1.9549 -0.2788 -0.2788 -0.2786 -0.2786 4.8966 4.8966 4.8971 4.8971 5.6632 5.6632 5.6650 5.6650 5.8280 5.8280 5.8295 5.8295 6.5044 6.5044 k = 0.5000 0.8311-0.1099 ( 8812 PWs) bands (ev): -18.3248 -18.3248 -18.3248 -18.3248 -16.9059 -16.9059 -16.9059 -16.9059 -16.8424 -16.8424 -16.8424 -16.8424 -13.5920 -13.5920 -13.5920 -13.5920 -12.2517 -12.2517 -12.2517 -12.2517 -8.3328 -8.3328 -8.3328 -8.3328 -6.9993 -6.9993 -6.9992 -6.9992 -6.6136 -6.6136 -6.6132 -6.6132 -6.3069 -6.3069 -6.3066 -6.3066 -4.9140 -4.9140 -4.9130 -4.9130 -4.7117 -4.7117 -4.7108 -4.7108 -3.2535 -3.2535 -3.2525 -3.2525 -2.9209 -2.9209 -2.9193 -2.9193 -2.7266 -2.7266 -2.7255 -2.7255 -2.4249 -2.4249 -2.4220 -2.4220 -2.2902 -2.2902 -2.2890 -2.2890 -1.9571 -1.9571 -1.9556 -1.9556 -0.2784 -0.2784 -0.2783 -0.2783 4.9025 4.9025 4.9031 4.9031 5.6492 5.6492 5.6510 5.6510 5.8445 5.8445 5.8461 5.8461 6.4923 6.4923 k = 0.5000 0.8211-0.1320 ( 8818 PWs) bands (ev): -18.3249 -18.3249 -18.3249 -18.3249 -16.9048 -16.9048 -16.9047 -16.9047 -16.8432 -16.8432 -16.8432 -16.8432 -13.5921 -13.5921 -13.5921 -13.5921 -12.2519 -12.2519 -12.2519 -12.2519 -8.3327 -8.3327 -8.3327 -8.3327 -7.0001 -7.0001 -7.0000 -7.0000 -6.6168 -6.6168 -6.6163 -6.6163 -6.3059 -6.3059 -6.3056 -6.3056 -4.9116 -4.9116 -4.9107 -4.9107 -4.7118 -4.7118 -4.7109 -4.7109 -3.2501 -3.2501 -3.2491 -3.2491 -2.9283 -2.9283 -2.9268 -2.9268 -2.7242 -2.7242 -2.7231 -2.7231 -2.4246 -2.4246 -2.4216 -2.4216 -2.2859 -2.2859 -2.2847 -2.2847 -1.9580 -1.9580 -1.9565 -1.9565 -0.2781 -0.2781 -0.2779 -0.2779 4.9090 4.9090 4.9097 4.9097 5.6351 5.6351 5.6369 5.6369 5.8613 5.8613 5.8629 5.8629 6.4793 6.4793 k = 0.5000 0.8112-0.1540 ( 8820 PWs) bands (ev): -18.3250 -18.3250 -18.3250 -18.3250 -16.9037 -16.9037 -16.9037 -16.9037 -16.8439 -16.8439 -16.8439 -16.8439 -13.5921 -13.5921 -13.5921 -13.5921 -12.2522 -12.2522 -12.2522 -12.2522 -8.3326 -8.3326 -8.3326 -8.3326 -7.0008 -7.0008 -7.0007 -7.0007 -6.6200 -6.6200 -6.6195 -6.6195 -6.3046 -6.3046 -6.3043 -6.3043 -4.9104 -4.9104 -4.9096 -4.9096 -4.7106 -4.7106 -4.7098 -4.7098 -3.2465 -3.2465 -3.2456 -3.2456 -2.9359 -2.9359 -2.9345 -2.9345 -2.7214 -2.7214 -2.7203 -2.7203 -2.4244 -2.4244 -2.4214 -2.4214 -2.2821 -2.2821 -2.2808 -2.2808 -1.9591 -1.9591 -1.9575 -1.9575 -0.2777 -0.2777 -0.2775 -0.2775 4.9158 4.9158 4.9165 4.9165 5.6214 5.6214 5.6231 5.6231 5.8780 5.8780 5.8796 5.8796 6.4656 6.4656 k = 0.5000 0.8012-0.1760 ( 8820 PWs) bands (ev): -18.3251 -18.3251 -18.3251 -18.3251 -16.9026 -16.9026 -16.9026 -16.9026 -16.8447 -16.8447 -16.8447 -16.8447 -13.5922 -13.5922 -13.5922 -13.5922 -12.2524 -12.2524 -12.2523 -12.2523 -8.3326 -8.3326 -8.3325 -8.3325 -7.0015 -7.0015 -7.0014 -7.0014 -6.6232 -6.6232 -6.6227 -6.6227 -6.3032 -6.3032 -6.3029 -6.3029 -4.9103 -4.9103 -4.9095 -4.9095 -4.7085 -4.7085 -4.7077 -4.7077 -3.2430 -3.2430 -3.2420 -3.2420 -2.9435 -2.9435 -2.9421 -2.9421 -2.7184 -2.7184 -2.7173 -2.7173 -2.4244 -2.4244 -2.4214 -2.4214 -2.2786 -2.2786 -2.2772 -2.2772 -1.9601 -1.9601 -1.9585 -1.9585 -0.2773 -0.2773 -0.2771 -0.2771 4.9227 4.9227 4.9235 4.9235 5.6083 5.6083 5.6101 5.6101 5.8941 5.8941 5.8959 5.8959 6.4517 6.4517 k = 0.5000 0.7913-0.1981 ( 8824 PWs) bands (ev): -18.3253 -18.3253 -18.3253 -18.3253 -16.9016 -16.9016 -16.9016 -16.9016 -16.8454 -16.8454 -16.8454 -16.8454 -13.5922 -13.5922 -13.5922 -13.5922 -12.2525 -12.2525 -12.2525 -12.2525 -8.3325 -8.3325 -8.3324 -8.3324 -7.0021 -7.0021 -7.0021 -7.0021 -6.6262 -6.6262 -6.6257 -6.6257 -6.3017 -6.3017 -6.3013 -6.3013 -4.9109 -4.9109 -4.9102 -4.9102 -4.7059 -4.7059 -4.7051 -4.7051 -3.2395 -3.2395 -3.2386 -3.2386 -2.9507 -2.9507 -2.9495 -2.9495 -2.7153 -2.7153 -2.7143 -2.7143 -2.4245 -2.4245 -2.4214 -2.4214 -2.2755 -2.2755 -2.2741 -2.2741 -1.9612 -1.9612 -1.9594 -1.9594 -0.2769 -0.2769 -0.2768 -0.2768 4.9295 4.9295 4.9303 4.9303 5.5962 5.5962 5.5980 5.5980 5.9095 5.9095 5.9112 5.9112 6.4380 6.4380 k = 0.5000 0.7813-0.2201 ( 8820 PWs) bands (ev): -18.3254 -18.3254 -18.3254 -18.3254 -16.9008 -16.9008 -16.9008 -16.9008 -16.8460 -16.8460 -16.8460 -16.8460 -13.5922 -13.5922 -13.5922 -13.5922 -12.2527 -12.2527 -12.2527 -12.2527 -8.3324 -8.3324 -8.3324 -8.3324 -7.0027 -7.0027 -7.0026 -7.0026 -6.6290 -6.6290 -6.6284 -6.6284 -6.3002 -6.3002 -6.2999 -6.2999 -4.9119 -4.9119 -4.9113 -4.9113 -4.7031 -4.7031 -4.7023 -4.7023 -3.2362 -3.2362 -3.2354 -3.2354 -2.9573 -2.9573 -2.9563 -2.9563 -2.7125 -2.7125 -2.7114 -2.7114 -2.4246 -2.4246 -2.4215 -2.4215 -2.2729 -2.2729 -2.2714 -2.2714 -1.9622 -1.9622 -1.9603 -1.9603 -0.2765 -0.2765 -0.2764 -0.2764 4.9358 4.9358 4.9366 4.9366 5.5854 5.5854 5.5871 5.5871 5.9236 5.9236 5.9254 5.9254 6.4251 6.4251 k = 0.5000 0.7714-0.2421 ( 8830 PWs) bands (ev): -18.3255 -18.3255 -18.3255 -18.3255 -16.9000 -16.9000 -16.9000 -16.9000 -16.8466 -16.8466 -16.8466 -16.8466 -13.5922 -13.5922 -13.5922 -13.5922 -12.2528 -12.2528 -12.2528 -12.2528 -8.3324 -8.3324 -8.3323 -8.3323 -7.0032 -7.0032 -7.0031 -7.0031 -6.6314 -6.6314 -6.6308 -6.6308 -6.2989 -6.2989 -6.2985 -6.2985 -4.9132 -4.9132 -4.9126 -4.9126 -4.7003 -4.7003 -4.6995 -4.6995 -3.2333 -3.2333 -3.2325 -3.2325 -2.9631 -2.9631 -2.9622 -2.9622 -2.7100 -2.7100 -2.7089 -2.7089 -2.4247 -2.4247 -2.4217 -2.4217 -2.2707 -2.2707 -2.2692 -2.2692 -1.9630 -1.9630 -1.9611 -1.9611 -0.2762 -0.2762 -0.2761 -0.2761 4.9415 4.9415 4.9423 4.9423 5.5760 5.5760 5.5778 5.5778 5.9360 5.9360 5.9378 5.9378 6.4134 6.4134 k = 0.5000 0.7615-0.2642 ( 8830 PWs) bands (ev): -18.3255 -18.3255 -18.3255 -18.3255 -16.8994 -16.8994 -16.8994 -16.8994 -16.8470 -16.8470 -16.8470 -16.8470 -13.5922 -13.5922 -13.5922 -13.5922 -12.2529 -12.2529 -12.2529 -12.2529 -8.3323 -8.3323 -8.3323 -8.3323 -7.0036 -7.0036 -7.0035 -7.0035 -6.6333 -6.6333 -6.6328 -6.6328 -6.2977 -6.2977 -6.2974 -6.2974 -4.9144 -4.9144 -4.9138 -4.9138 -4.6979 -4.6979 -4.6971 -4.6971 -3.2309 -3.2309 -3.2302 -3.2302 -2.9678 -2.9678 -2.9671 -2.9671 -2.7079 -2.7079 -2.7068 -2.7068 -2.4249 -2.4249 -2.4218 -2.4218 -2.2691 -2.2691 -2.2675 -2.2675 -1.9638 -1.9638 -1.9618 -1.9618 -0.2760 -0.2760 -0.2759 -0.2759 4.9462 4.9462 4.9470 4.9470 5.5685 5.5685 5.5703 5.5703 5.9464 5.9464 5.9482 5.9482 6.4035 6.4035 k = 0.5000 0.7515-0.2862 ( 8824 PWs) bands (ev): -18.3256 -18.3256 -18.3256 -18.3256 -16.8989 -16.8989 -16.8989 -16.8989 -16.8473 -16.8473 -16.8473 -16.8473 -13.5922 -13.5922 -13.5922 -13.5922 -12.2530 -12.2530 -12.2530 -12.2530 -8.3323 -8.3323 -8.3322 -8.3322 -7.0039 -7.0039 -7.0038 -7.0038 -6.6348 -6.6348 -6.6342 -6.6342 -6.2969 -6.2969 -6.2965 -6.2965 -4.9153 -4.9153 -4.9148 -4.9148 -4.6960 -4.6960 -4.6952 -4.6952 -3.2291 -3.2291 -3.2284 -3.2284 -2.9713 -2.9713 -2.9708 -2.9708 -2.7063 -2.7063 -2.7052 -2.7052 -2.4250 -2.4250 -2.4219 -2.4219 -2.2679 -2.2679 -2.2663 -2.2663 -1.9643 -1.9643 -1.9623 -1.9623 -0.2758 -0.2758 -0.2757 -0.2757 4.9497 4.9497 4.9506 4.9506 5.5629 5.5629 5.5647 5.5647 5.9542 5.9542 5.9560 5.9560 6.3961 6.3961 k = 0.5000 0.7416-0.3082 ( 8814 PWs) bands (ev): -18.3256 -18.3256 -18.3256 -18.3256 -16.8987 -16.8987 -16.8987 -16.8987 -16.8475 -16.8475 -16.8475 -16.8475 -13.5922 -13.5922 -13.5922 -13.5922 -12.2530 -12.2530 -12.2530 -12.2530 -8.3322 -8.3322 -8.3322 -8.3322 -7.0040 -7.0040 -7.0040 -7.0040 -6.6356 -6.6356 -6.6351 -6.6351 -6.2963 -6.2963 -6.2960 -6.2960 -4.9160 -4.9160 -4.9154 -4.9154 -4.6948 -4.6948 -4.6941 -4.6941 -3.2279 -3.2279 -3.2273 -3.2273 -2.9734 -2.9734 -2.9731 -2.9731 -2.7053 -2.7053 -2.7043 -2.7043 -2.4250 -2.4250 -2.4220 -2.4220 -2.2672 -2.2672 -2.2655 -2.2655 -1.9646 -1.9646 -1.9626 -1.9626 -0.2756 -0.2756 -0.2756 -0.2756 4.9519 4.9519 4.9528 4.9528 5.5595 5.5595 5.5613 5.5613 5.9590 5.9590 5.9608 5.9608 6.3914 6.3914 k = 0.5000 0.7316-0.3303 ( 8808 PWs) bands (ev): -18.3256 -18.3256 -18.3256 -18.3256 -16.8986 -16.8986 -16.8986 -16.8986 -16.8476 -16.8476 -16.8476 -16.8476 -13.5922 -13.5922 -13.5922 -13.5922 -12.2530 -12.2530 -12.2530 -12.2530 -8.3322 -8.3322 -8.3322 -8.3322 -7.0041 -7.0041 -7.0040 -7.0040 -6.6359 -6.6359 -6.6353 -6.6353 -6.2961 -6.2961 -6.2958 -6.2958 -4.9162 -4.9162 -4.9157 -4.9157 -4.6944 -4.6944 -4.6937 -4.6937 -3.2275 -3.2275 -3.2269 -3.2269 -2.9741 -2.9741 -2.9739 -2.9739 -2.7050 -2.7050 -2.7039 -2.7039 -2.4250 -2.4250 -2.4220 -2.4220 -2.2670 -2.2670 -2.2653 -2.2653 -1.9647 -1.9647 -1.9627 -1.9627 -0.2756 -0.2756 -0.2755 -0.2755 4.9527 4.9527 4.9536 4.9536 5.5583 5.5583 5.5601 5.5601 5.9607 5.9607 5.9625 5.9625 6.3899 6.3899 k = 0.5000 0.7316-0.3303 ( 8808 PWs) bands (ev): -18.3256 -18.3256 -18.3256 -18.3256 -16.8986 -16.8986 -16.8986 -16.8986 -16.8476 -16.8476 -16.8476 -16.8476 -13.5922 -13.5922 -13.5922 -13.5922 -12.2530 -12.2530 -12.2530 -12.2530 -8.3322 -8.3322 -8.3322 -8.3322 -7.0041 -7.0041 -7.0040 -7.0040 -6.6359 -6.6359 -6.6353 -6.6353 -6.2961 -6.2961 -6.2958 -6.2958 -4.9162 -4.9162 -4.9157 -4.9157 -4.6944 -4.6944 -4.6937 -4.6937 -3.2275 -3.2275 -3.2269 -3.2269 -2.9741 -2.9741 -2.9739 -2.9739 -2.7050 -2.7050 -2.7039 -2.7039 -2.4250 -2.4250 -2.4220 -2.4220 -2.2670 -2.2670 -2.2653 -2.2653 -1.9647 -1.9647 -1.9627 -1.9627 -0.2756 -0.2756 -0.2755 -0.2755 4.9527 4.9527 4.9536 4.9536 5.5583 5.5583 5.5601 5.5601 5.9607 5.9607 5.9625 5.9625 6.3899 6.3899 k = 0.4762 0.7316-0.3303 ( 8818 PWs) bands (ev): -18.3270 -18.3270 -18.3243 -18.3243 -16.8995 -16.8995 -16.8977 -16.8977 -16.8480 -16.8480 -16.8472 -16.8472 -13.5959 -13.5959 -13.5885 -13.5885 -12.2585 -12.2585 -12.2476 -12.2476 -8.3362 -8.3362 -8.3283 -8.3282 -7.0153 -7.0152 -6.9930 -6.9929 -6.6397 -6.6391 -6.6322 -6.6317 -6.2994 -6.2991 -6.2927 -6.2924 -4.9176 -4.9171 -4.9145 -4.9140 -4.6945 -4.6940 -4.6938 -4.6932 -3.2392 -3.2386 -3.2160 -3.2152 -2.9761 -2.9759 -2.9723 -2.9721 -2.7127 -2.7116 -2.6977 -2.6967 -2.4287 -2.4256 -2.4219 -2.4190 -2.2679 -2.2662 -2.2650 -2.2635 -1.9659 -1.9639 -1.9638 -1.9617 -0.2799 -0.2799 -0.2712 -0.2711 4.9388 4.9397 4.9668 4.9677 5.5547 5.5564 5.5620 5.5638 5.9512 5.9530 5.9695 5.9713 6.3795 6.3796 k = 0.4524 0.7316-0.3303 ( 8818 PWs) bands (ev): -18.3283 -18.3283 -18.3230 -18.3230 -16.9004 -16.9004 -16.8968 -16.8968 -16.8483 -16.8483 -16.8468 -16.8468 -13.5996 -13.5996 -13.5848 -13.5848 -12.2640 -12.2640 -12.2421 -12.2421 -8.3402 -8.3401 -8.3243 -8.3243 -7.0265 -7.0265 -6.9820 -6.9819 -6.6436 -6.6430 -6.6287 -6.6281 -6.3026 -6.3023 -6.2892 -6.2889 -4.9188 -4.9182 -4.9126 -4.9122 -4.6943 -4.6937 -4.6934 -4.6926 -3.2510 -3.2504 -3.2046 -3.2038 -2.9783 -2.9781 -2.9707 -2.9704 -2.7208 -2.7197 -2.6910 -2.6901 -2.4327 -2.4296 -2.4194 -2.4166 -2.2680 -2.2662 -2.2621 -2.2607 -1.9671 -1.9651 -1.9629 -1.9608 -0.2841 -0.2841 -0.2667 -0.2667 4.9254 4.9262 4.9812 4.9821 5.5509 5.5525 5.5654 5.5674 5.9412 5.9431 5.9776 5.9793 6.3702 6.3703 k = 0.4286 0.7316-0.3303 ( 8826 PWs) bands (ev): -18.3297 -18.3297 -18.3216 -18.3216 -16.9013 -16.9013 -16.8959 -16.8959 -16.8487 -16.8487 -16.8464 -16.8464 -13.6033 -13.6033 -13.5811 -13.5811 -12.2694 -12.2694 -12.2368 -12.2368 -8.3441 -8.3440 -8.3204 -8.3204 -7.0377 -7.0376 -6.9712 -6.9712 -6.6475 -6.6469 -6.6253 -6.6247 -6.3057 -6.3053 -6.2857 -6.2853 -4.9197 -4.9190 -4.9106 -4.9103 -4.6938 -4.6932 -4.6927 -4.6918 -3.2626 -3.2621 -3.1935 -3.1926 -2.9805 -2.9804 -2.9694 -2.9691 -2.7293 -2.7282 -2.6849 -2.6840 -2.4369 -2.4338 -2.4175 -2.4149 -2.2674 -2.2656 -2.2580 -2.2569 -1.9683 -1.9664 -1.9622 -1.9601 -0.2882 -0.2882 -0.2622 -0.2622 4.9123 4.9131 4.9957 4.9966 5.5472 5.5487 5.5688 5.5708 5.9308 5.9328 5.9848 5.9863 6.3620 6.3621 k = 0.4048 0.7316-0.3303 ( 8820 PWs) bands (ev): -18.3310 -18.3310 -18.3203 -18.3203 -16.9021 -16.9021 -16.8950 -16.8950 -16.8490 -16.8490 -16.8460 -16.8460 -13.6068 -13.6068 -13.5775 -13.5775 -12.2747 -12.2747 -12.2315 -12.2315 -8.3479 -8.3479 -8.3165 -8.3165 -7.0487 -7.0487 -6.9608 -6.9607 -6.6514 -6.6509 -6.6220 -6.6215 -6.3085 -6.3082 -6.2821 -6.2817 -4.9202 -4.9195 -4.9086 -4.9083 -4.6928 -4.6923 -4.6918 -4.6910 -3.2742 -3.2737 -3.1827 -3.1818 -2.9828 -2.9827 -2.9683 -2.9680 -2.7380 -2.7368 -2.6792 -2.6784 -2.4411 -2.4381 -2.4164 -2.4140 -2.2662 -2.2644 -2.2530 -2.2520 -1.9697 -1.9678 -1.9616 -1.9595 -0.2921 -0.2921 -0.2577 -0.2577 4.8997 4.9005 5.0104 5.0113 5.5435 5.5449 5.5719 5.5740 5.9202 5.9223 5.9909 5.9924 6.3551 6.3553 k = 0.3810 0.7316-0.3303 ( 8824 PWs) bands (ev): -18.3323 -18.3323 -18.3191 -18.3191 -16.9030 -16.9030 -16.8942 -16.8942 -16.8493 -16.8493 -16.8456 -16.8456 -13.6103 -13.6103 -13.5740 -13.5740 -12.2799 -12.2799 -12.2264 -12.2264 -8.3516 -8.3516 -8.3127 -8.3127 -7.0596 -7.0595 -6.9506 -6.9506 -6.6553 -6.6548 -6.6190 -6.6184 -6.3112 -6.3109 -6.2785 -6.2782 -4.9204 -4.9196 -4.9066 -4.9064 -4.6916 -4.6911 -4.6908 -4.6900 -3.2855 -3.2851 -3.1725 -3.1715 -2.9852 -2.9850 -2.9676 -2.9672 -2.7467 -2.7456 -2.6742 -2.6734 -2.4454 -2.4424 -2.4160 -2.4138 -2.2645 -2.2629 -2.2470 -2.2463 -1.9710 -1.9692 -1.9612 -1.9591 -0.2959 -0.2959 -0.2533 -0.2532 4.8876 4.8884 5.0251 5.0259 5.5398 5.5412 5.5749 5.5770 5.9096 5.9117 5.9959 5.9972 6.3496 6.3498 k = 0.3571 0.7316-0.3303 ( 8818 PWs) bands (ev): -18.3335 -18.3335 -18.3178 -18.3178 -16.9038 -16.9038 -16.8934 -16.8934 -16.8496 -16.8496 -16.8452 -16.8452 -13.6136 -13.6136 -13.5705 -13.5705 -12.2849 -12.2849 -12.2214 -12.2214 -8.3552 -8.3552 -8.3090 -8.3090 -7.0702 -7.0701 -6.9409 -6.9408 -6.6592 -6.6587 -6.6161 -6.6155 -6.3137 -6.3134 -6.2749 -6.2746 -4.9202 -4.9194 -4.9046 -4.9045 -4.6905 -4.6897 -4.6892 -4.6887 -3.2966 -3.2963 -3.1627 -3.1618 -2.9875 -2.9874 -2.9672 -2.9668 -2.7553 -2.7542 -2.6697 -2.6690 -2.4495 -2.4467 -2.4162 -2.4143 -2.2626 -2.2610 -2.2404 -2.2399 -1.9724 -1.9706 -1.9609 -1.9588 -0.2995 -0.2995 -0.2488 -0.2488 4.8760 4.8768 5.0397 5.0406 5.5362 5.5375 5.5775 5.5797 5.8990 5.9011 5.9997 6.0009 6.3455 6.3457 k = 0.3333 0.7316-0.3303 ( 8816 PWs) bands (ev): -18.3347 -18.3347 -18.3167 -18.3167 -16.9046 -16.9046 -16.8926 -16.8926 -16.8499 -16.8499 -16.8448 -16.8448 -13.6169 -13.6169 -13.5672 -13.5672 -12.2898 -12.2898 -12.2166 -12.2166 -8.3587 -8.3587 -8.3055 -8.3055 -7.0804 -7.0804 -6.9316 -6.9315 -6.6630 -6.6625 -6.6134 -6.6129 -6.3160 -6.3157 -6.2714 -6.2711 -4.9196 -4.9189 -4.9028 -4.9027 -4.6896 -4.6887 -4.6869 -4.6867 -3.3073 -3.3070 -3.1537 -3.1527 -2.9898 -2.9896 -2.9672 -2.9667 -2.7636 -2.7626 -2.6657 -2.6650 -2.4534 -2.4507 -2.4169 -2.4152 -2.2604 -2.2589 -2.2331 -2.2329 -1.9737 -1.9720 -1.9608 -1.9588 -0.3030 -0.3029 -0.2445 -0.2444 4.8650 4.8658 5.0543 5.0551 5.5328 5.5339 5.5799 5.5820 5.8886 5.8906 6.0023 6.0034 6.3429 6.3431 k = 0.3095 0.7316-0.3303 ( 8804 PWs) bands (ev): -18.3359 -18.3359 -18.3155 -18.3155 -16.9054 -16.9054 -16.8918 -16.8918 -16.8501 -16.8501 -16.8445 -16.8445 -13.6200 -13.6200 -13.5640 -13.5640 -12.2944 -12.2944 -12.2119 -12.2119 -8.3620 -8.3620 -8.3021 -8.3020 -7.0903 -7.0902 -6.9228 -6.9227 -6.6667 -6.6662 -6.6109 -6.6104 -6.3182 -6.3179 -6.2679 -6.2676 -4.9187 -4.9180 -4.9011 -4.9011 -4.6888 -4.6878 -4.6842 -4.6840 -3.3177 -3.3174 -3.1454 -3.1444 -2.9920 -2.9918 -2.9675 -2.9670 -2.7715 -2.7705 -2.6621 -2.6616 -2.4572 -2.4545 -2.4181 -2.4166 -2.2581 -2.2567 -2.2255 -2.2255 -1.9750 -1.9734 -1.9609 -1.9588 -0.3062 -0.3061 -0.2402 -0.2402 4.8546 4.8553 5.0686 5.0694 5.5295 5.5305 5.5819 5.5840 5.8784 5.8805 6.0038 6.0048 6.3415 6.3418 k = 0.2857 0.7316-0.3303 ( 8806 PWs) bands (ev): -18.3370 -18.3370 -18.3145 -18.3145 -16.9061 -16.9061 -16.8911 -16.8911 -16.8504 -16.8504 -16.8441 -16.8441 -13.6229 -13.6229 -13.5609 -13.5609 -12.2989 -12.2989 -12.2076 -12.2076 -8.3652 -8.3652 -8.2988 -8.2988 -7.0996 -7.0996 -6.9145 -6.9144 -6.6702 -6.6698 -6.6086 -6.6081 -6.3201 -6.3198 -6.2646 -6.2643 -4.9176 -4.9168 -4.8997 -4.8997 -4.6881 -4.6872 -4.6811 -4.6810 -3.3275 -3.3273 -3.1380 -3.1370 -2.9941 -2.9940 -2.9681 -2.9675 -2.7789 -2.7779 -2.6591 -2.6586 -2.4606 -2.4582 -2.4196 -2.4183 -2.2558 -2.2545 -2.2179 -2.2177 -1.9762 -1.9747 -1.9610 -1.9590 -0.3092 -0.3092 -0.2361 -0.2361 4.8449 4.8456 5.0826 5.0834 5.5263 5.5273 5.5835 5.5857 5.8686 5.8707 6.0042 6.0051 6.3414 6.3417 k = 0.2619 0.7316-0.3303 ( 8806 PWs) bands (ev): -18.3380 -18.3380 -18.3135 -18.3134 -16.9068 -16.9068 -16.8904 -16.8904 -16.8506 -16.8506 -16.8437 -16.8437 -13.6257 -13.6257 -13.5580 -13.5580 -12.3031 -12.3031 -12.2035 -12.2035 -8.3681 -8.3681 -8.2958 -8.2957 -7.1085 -7.1085 -6.9068 -6.9067 -6.6736 -6.6732 -6.6065 -6.6061 -6.3218 -6.3215 -6.2614 -6.2612 -4.9162 -4.9154 -4.8985 -4.8984 -4.6875 -4.6866 -4.6776 -4.6776 -3.3369 -3.3367 -3.1315 -3.1305 -2.9961 -2.9960 -2.9689 -2.9683 -2.7855 -2.7846 -2.6564 -2.6559 -2.4638 -2.4615 -2.4212 -2.4201 -2.2536 -2.2523 -2.2102 -2.2099 -1.9774 -1.9760 -1.9613 -1.9594 -0.3120 -0.3120 -0.2322 -0.2321 4.8358 4.8365 5.0962 5.0969 5.5234 5.5242 5.5848 5.5869 5.8593 5.8613 6.0037 6.0045 6.3424 6.3427 k = 0.2381 0.7316-0.3303 ( 8800 PWs) bands (ev): -18.3390 -18.3390 -18.3125 -18.3125 -16.9075 -16.9075 -16.8898 -16.8898 -16.8508 -16.8508 -16.8434 -16.8434 -13.6282 -13.6282 -13.5553 -13.5553 -12.3070 -12.3070 -12.1996 -12.1996 -8.3709 -8.3709 -8.2929 -8.2929 -7.1168 -7.1168 -6.8997 -6.8997 -6.6768 -6.6764 -6.6046 -6.6042 -6.3233 -6.3231 -6.2584 -6.2581 -4.9146 -4.9139 -4.8975 -4.8974 -4.6871 -4.6862 -4.6739 -4.6739 -3.3456 -3.3455 -3.1260 -3.1250 -2.9979 -2.9978 -2.9699 -2.9693 -2.7913 -2.7906 -2.6541 -2.6537 -2.4668 -2.4646 -2.4230 -2.4221 -2.2514 -2.2502 -2.2027 -2.2023 -1.9784 -1.9771 -1.9616 -1.9598 -0.3146 -0.3146 -0.2285 -0.2284 4.8275 4.8281 5.1093 5.1100 5.5206 5.5214 5.5857 5.5877 5.8506 5.8526 6.0025 6.0032 6.3443 6.3446 k = 0.2143 0.7316-0.3303 ( 8788 PWs) bands (ev): -18.3399 -18.3399 -18.3116 -18.3116 -16.9080 -16.9080 -16.8892 -16.8892 -16.8510 -16.8510 -16.8431 -16.8431 -13.6306 -13.6306 -13.5528 -13.5528 -12.3106 -12.3106 -12.1961 -12.1961 -8.3734 -8.3734 -8.2902 -8.2902 -7.1245 -7.1245 -6.8932 -6.8932 -6.6797 -6.6794 -6.6029 -6.6025 -6.3246 -6.3244 -6.2555 -6.2553 -4.9128 -4.9121 -4.8967 -4.8965 -4.6867 -4.6859 -4.6701 -4.6701 -3.3537 -3.3536 -3.1215 -3.1205 -2.9996 -2.9995 -2.9710 -2.9703 -2.7963 -2.7957 -2.6522 -2.6518 -2.4694 -2.4675 -2.4248 -2.4240 -2.2493 -2.2482 -2.1955 -2.1950 -1.9794 -1.9782 -1.9621 -1.9603 -0.3169 -0.3169 -0.2250 -0.2250 4.8198 4.8204 5.1217 5.1223 5.5181 5.5188 5.5862 5.5882 5.8425 5.8444 6.0008 6.0014 6.3468 6.3471 k = 0.1905 0.7316-0.3303 ( 8800 PWs) bands (ev): -18.3407 -18.3407 -18.3109 -18.3109 -16.9086 -16.9086 -16.8887 -16.8887 -16.8511 -16.8511 -16.8428 -16.8428 -13.6327 -13.6327 -13.5506 -13.5506 -12.3139 -12.3139 -12.1929 -12.1929 -8.3758 -8.3758 -8.2878 -8.2878 -7.1315 -7.1315 -6.8874 -6.8874 -6.6824 -6.6821 -6.6014 -6.6011 -6.3258 -6.3256 -6.2529 -6.2527 -4.9110 -4.9104 -4.8961 -4.8959 -4.6865 -4.6857 -4.6662 -4.6662 -3.3611 -3.3610 -3.1180 -3.1171 -3.0011 -3.0011 -2.9720 -2.9713 -2.8005 -2.7999 -2.6505 -2.6502 -2.4719 -2.4701 -2.4266 -2.4259 -2.2474 -2.2464 -2.1887 -2.1881 -1.9803 -1.9792 -1.9625 -1.9609 -0.3191 -0.3190 -0.2218 -0.2218 4.8129 4.8134 5.1334 5.1339 5.5158 5.5164 5.5864 5.5882 5.8352 5.8370 5.9986 5.9992 6.3497 6.3500 k = 0.1667 0.7316-0.3303 ( 8796 PWs) bands (ev): -18.3415 -18.3415 -18.3102 -18.3102 -16.9091 -16.9091 -16.8882 -16.8882 -16.8513 -16.8513 -16.8425 -16.8425 -13.6347 -13.6347 -13.5485 -13.5485 -12.3168 -12.3168 -12.1900 -12.1900 -8.3778 -8.3778 -8.2857 -8.2857 -7.1378 -7.1377 -6.8823 -6.8823 -6.6849 -6.6846 -6.6001 -6.5998 -6.3268 -6.3266 -6.2505 -6.2504 -4.9092 -4.9086 -4.8956 -4.8955 -4.6863 -4.6857 -4.6625 -4.6624 -3.3678 -3.3677 -3.1155 -3.1146 -3.0025 -3.0024 -2.9728 -2.9722 -2.8039 -2.8034 -2.6492 -2.6489 -2.4740 -2.4724 -2.4282 -2.4276 -2.2456 -2.2448 -2.1824 -2.1818 -1.9810 -1.9800 -1.9630 -1.9615 -0.3209 -0.3209 -0.2189 -0.2189 4.8068 4.8072 5.1441 5.1446 5.5137 5.5142 5.5863 5.5880 5.8287 5.8303 5.9963 5.9968 6.3529 6.3531 k = 0.1429 0.7316-0.3303 ( 8796 PWs) bands (ev): -18.3421 -18.3421 -18.3095 -18.3095 -16.9095 -16.9095 -16.8878 -16.8878 -16.8514 -16.8514 -16.8423 -16.8423 -13.6364 -13.6364 -13.5468 -13.5468 -12.3194 -12.3194 -12.1875 -12.1875 -8.3797 -8.3796 -8.2838 -8.2838 -7.1433 -7.1433 -6.8778 -6.8778 -6.6870 -6.6868 -6.5990 -6.5987 -6.3276 -6.3275 -6.2484 -6.2483 -4.9074 -4.9069 -4.8953 -4.8951 -4.6863 -4.6857 -4.6589 -4.6588 -3.3737 -3.3736 -3.1137 -3.1130 -3.0037 -3.0036 -2.9736 -2.9730 -2.8066 -2.8062 -2.6481 -2.6479 -2.4759 -2.4745 -2.4297 -2.4293 -2.2441 -2.2433 -2.1768 -2.1762 -1.9816 -1.9808 -1.9635 -1.9622 -0.3226 -0.3226 -0.2164 -0.2163 4.8015 4.8018 5.1539 5.1543 5.5119 5.5123 5.5859 5.5874 5.8230 5.8245 5.9940 5.9944 6.3561 6.3563 k = 0.1190 0.7316-0.3303 ( 8794 PWs) bands (ev): -18.3427 -18.3427 -18.3090 -18.3090 -16.9099 -16.9099 -16.8874 -16.8874 -16.8515 -16.8515 -16.8421 -16.8421 -13.6378 -13.6378 -13.5452 -13.5452 -12.3217 -12.3217 -12.1853 -12.1853 -8.3812 -8.3812 -8.2821 -8.2821 -7.1480 -7.1480 -6.8740 -6.8740 -6.6888 -6.6886 -6.5980 -6.5978 -6.3283 -6.3282 -6.2466 -6.2465 -4.9058 -4.9053 -4.8951 -4.8949 -4.6863 -4.6857 -4.6557 -4.6556 -3.3787 -3.3787 -3.1127 -3.1121 -3.0047 -3.0046 -2.9741 -2.9736 -2.8086 -2.8083 -2.6472 -2.6471 -2.4775 -2.4763 -2.4310 -2.4307 -2.2427 -2.2421 -2.1718 -2.1713 -1.9821 -1.9814 -1.9639 -1.9628 -0.3240 -0.3239 -0.2142 -0.2141 4.7969 4.7973 5.1624 5.1628 5.5103 5.5107 5.5854 5.5867 5.8182 5.8195 5.9918 5.9921 6.3591 6.3593 k = 0.0952 0.7316-0.3303 ( 8792 PWs) bands (ev): -18.3431 -18.3431 -18.3086 -18.3086 -16.9102 -16.9102 -16.8871 -16.8871 -16.8516 -16.8516 -16.8419 -16.8419 -13.6390 -13.6390 -13.5440 -13.5440 -12.3235 -12.3235 -12.1835 -12.1835 -8.3825 -8.3825 -8.2808 -8.2808 -7.1519 -7.1519 -6.8709 -6.8709 -6.6903 -6.6902 -6.5973 -6.5971 -6.3289 -6.3287 -6.2451 -6.2450 -4.9043 -4.9040 -4.8949 -4.8948 -4.6863 -4.6858 -4.6528 -4.6528 -3.3829 -3.3828 -3.1121 -3.1116 -3.0055 -3.0055 -2.9744 -2.9740 -2.8101 -2.8099 -2.6466 -2.6464 -2.4788 -2.4778 -2.4321 -2.4318 -2.2416 -2.2411 -2.1677 -2.1672 -1.9826 -1.9820 -1.9643 -1.9633 -0.3251 -0.3251 -0.2123 -0.2123 4.7932 4.7935 5.1696 5.1699 5.5091 5.5094 5.5848 5.5859 5.8143 5.8153 5.9898 5.9901 6.3618 6.3620 k = 0.0714 0.7316-0.3303 ( 8788 PWs) bands (ev): -18.3435 -18.3435 -18.3082 -18.3082 -16.9104 -16.9104 -16.8869 -16.8869 -16.8516 -16.8516 -16.8418 -16.8418 -13.6399 -13.6399 -13.5430 -13.5430 -12.3249 -12.3249 -12.1821 -12.1821 -8.3835 -8.3835 -8.2797 -8.2797 -7.1550 -7.1550 -6.8685 -6.8685 -6.6915 -6.6914 -6.5967 -6.5966 -6.3293 -6.3292 -6.2439 -6.2438 -4.9031 -4.9028 -4.8948 -4.8947 -4.6863 -4.6860 -4.6505 -4.6505 -3.3861 -3.3861 -3.1119 -3.1115 -3.0061 -3.0061 -2.9747 -2.9743 -2.8112 -2.8110 -2.6461 -2.6460 -2.4798 -2.4790 -2.4330 -2.4328 -2.2407 -2.2404 -2.1643 -2.1640 -1.9829 -1.9824 -1.9646 -1.9638 -0.3260 -0.3260 -0.2109 -0.2109 4.7903 4.7905 5.1754 5.1756 5.5081 5.5083 5.5842 5.5850 5.8113 5.8121 5.9882 5.9884 6.3640 6.3642 k = 0.0476 0.7316-0.3303 ( 8790 PWs) bands (ev): -18.3437 -18.3437 -18.3080 -18.3080 -16.9106 -16.9106 -16.8867 -16.8867 -16.8517 -16.8517 -16.8417 -16.8417 -13.6406 -13.6406 -13.5422 -13.5422 -12.3259 -12.3259 -12.1811 -12.1811 -8.3842 -8.3842 -8.2790 -8.2790 -7.1572 -7.1572 -6.8668 -6.8668 -6.6923 -6.6923 -6.5963 -6.5962 -6.3296 -6.3295 -6.2430 -6.2430 -4.9022 -4.9020 -4.8948 -4.8947 -4.6863 -4.6861 -4.6488 -4.6488 -3.3885 -3.3885 -3.1119 -3.1116 -3.0066 -3.0066 -2.9748 -2.9745 -2.8119 -2.8117 -2.6457 -2.6457 -2.4804 -2.4800 -2.4336 -2.4335 -2.2401 -2.2398 -2.1619 -2.1617 -1.9830 -1.9828 -1.9647 -1.9643 -0.3266 -0.3266 -0.2098 -0.2098 4.7882 4.7884 5.1796 5.1797 5.5074 5.5076 5.5838 5.5843 5.8092 5.8098 5.9870 5.9871 6.3657 6.3658 k = 0.0238 0.7316-0.3303 ( 8790 PWs) bands (ev): -18.3439 -18.3439 -18.3078 -18.3078 -16.9107 -16.9107 -16.8866 -16.8866 -16.8517 -16.8517 -16.8416 -16.8416 -13.6410 -13.6410 -13.5418 -13.5418 -12.3266 -12.3266 -12.1805 -12.1805 -8.3847 -8.3847 -8.2785 -8.2785 -7.1585 -7.1585 -6.8658 -6.8658 -6.6928 -6.6928 -6.5960 -6.5960 -6.3297 -6.3297 -6.2425 -6.2425 -4.9017 -4.9016 -4.8947 -4.8947 -4.6863 -4.6862 -4.6478 -4.6477 -3.3899 -3.3899 -3.1119 -3.1118 -3.0069 -3.0069 -2.9748 -2.9747 -2.8122 -2.8122 -2.6455 -2.6455 -2.4808 -2.4806 -2.4340 -2.4339 -2.2397 -2.2395 -2.1604 -2.1603 -1.9831 -1.9830 -1.9648 -1.9646 -0.3270 -0.3270 -0.2092 -0.2092 4.7870 4.7871 5.1822 5.1823 5.5070 5.5071 5.5836 5.5838 5.8080 5.8083 5.9863 5.9863 6.3668 6.3668 k = 0.0000 0.7316-0.3303 ( 8798 PWs) bands (ev): -18.3439 -18.3439 -18.3078 -18.3078 -16.9107 -16.9107 -16.8866 -16.8866 -16.8517 -16.8517 -16.8416 -16.8416 -13.6411 -13.6411 -13.5417 -13.5417 -12.3268 -12.3268 -12.1803 -12.1803 -8.3848 -8.3848 -8.2784 -8.2784 -7.1590 -7.1590 -6.8654 -6.8654 -6.6930 -6.6930 -6.5959 -6.5959 -6.3298 -6.3298 -6.2423 -6.2423 -4.9014 -4.9014 -4.8947 -4.8947 -4.6863 -4.6863 -4.6474 -4.6474 -3.3904 -3.3904 -3.1119 -3.1119 -3.0070 -3.0070 -2.9748 -2.9748 -2.8123 -2.8123 -2.6454 -2.6454 -2.4808 -2.4808 -2.4341 -2.4341 -2.2395 -2.2395 -2.1599 -2.1599 -1.9831 -1.9831 -1.9648 -1.9648 -0.3271 -0.3271 -0.2090 -0.2090 4.7866 4.7866 5.1831 5.1831 5.5069 5.5069 5.5836 5.5836 5.8077 5.8077 5.9860 5.9860 6.3671 6.3671 k = 0.0000 0.7316-0.3303 ( 8798 PWs) bands (ev): -18.3439 -18.3439 -18.3078 -18.3078 -16.9107 -16.9107 -16.8866 -16.8866 -16.8517 -16.8517 -16.8416 -16.8416 -13.6411 -13.6411 -13.5417 -13.5417 -12.3268 -12.3268 -12.1803 -12.1803 -8.3848 -8.3848 -8.2784 -8.2784 -7.1590 -7.1590 -6.8654 -6.8654 -6.6930 -6.6930 -6.5959 -6.5959 -6.3298 -6.3298 -6.2423 -6.2423 -4.9014 -4.9014 -4.8947 -4.8947 -4.6863 -4.6863 -4.6474 -4.6474 -3.3904 -3.3904 -3.1119 -3.1119 -3.0070 -3.0070 -2.9748 -2.9748 -2.8123 -2.8123 -2.6454 -2.6454 -2.4808 -2.4808 -2.4341 -2.4341 -2.2395 -2.2395 -2.1599 -2.1599 -1.9831 -1.9831 -1.9648 -1.9648 -0.3271 -0.3271 -0.2090 -0.2090 4.7866 4.7866 5.1831 5.1831 5.5069 5.5069 5.5836 5.5836 5.8077 5.8077 5.9860 5.9860 6.3671 6.3671 k = 0.0000 0.7416-0.3082 ( 8788 PWs) bands (ev): -18.3439 -18.3439 -18.3078 -18.3078 -16.9109 -16.9109 -16.8866 -16.8866 -16.8517 -16.8517 -16.8415 -16.8415 -13.6411 -13.6411 -13.5417 -13.5417 -12.3268 -12.3268 -12.1803 -12.1803 -8.3848 -8.3848 -8.2784 -8.2784 -7.1589 -7.1589 -6.8654 -6.8654 -6.6932 -6.6931 -6.5951 -6.5951 -6.3301 -6.3301 -6.2423 -6.2422 -4.9025 -4.9013 -4.8949 -4.8939 -4.6897 -4.6886 -4.6452 -4.6443 -3.3908 -3.3907 -3.1118 -3.1117 -3.0088 -3.0084 -2.9724 -2.9719 -2.8130 -2.8129 -2.6456 -2.6452 -2.4807 -2.4804 -2.4342 -2.4341 -2.2411 -2.2404 -2.1601 -2.1599 -1.9862 -1.9847 -1.9622 -1.9609 -0.3272 -0.3272 -0.2091 -0.2090 4.7856 4.7856 5.1831 5.1833 5.5062 5.5070 5.5843 5.5851 5.8061 5.8065 5.9881 5.9884 6.3632 6.3637 k = 0.0000 0.7515-0.2862 ( 8799 PWs) bands (ev): -18.3439 -18.3439 -18.3077 -18.3077 -16.9114 -16.9114 -16.8866 -16.8866 -16.8516 -16.8516 -16.8412 -16.8412 -13.6411 -13.6411 -13.5417 -13.5417 -12.3267 -12.3267 -12.1803 -12.1803 -8.3848 -8.3848 -8.2785 -8.2784 -7.1585 -7.1585 -6.8655 -6.8655 -6.6936 -6.6935 -6.5929 -6.5928 -6.3311 -6.3311 -6.2421 -6.2420 -4.9041 -4.9022 -4.8942 -4.8928 -4.6970 -4.6953 -4.6390 -4.6378 -3.3918 -3.3917 -3.1116 -3.1115 -3.0127 -3.0122 -2.9660 -2.9651 -2.8148 -2.8147 -2.6456 -2.6449 -2.4799 -2.4793 -2.4346 -2.4343 -2.2452 -2.2439 -2.1605 -2.1602 -1.9911 -1.9890 -1.9553 -1.9538 -0.3275 -0.3275 -0.2092 -0.2092 4.7825 4.7826 5.1833 5.1838 5.5050 5.5065 5.5874 5.5889 5.8018 5.8025 5.9943 5.9949 6.3527 6.3537 k = 0.0000 0.7615-0.2642 ( 8796 PWs) bands (ev): -18.3440 -18.3440 -18.3075 -18.3075 -16.9122 -16.9122 -16.8867 -16.8867 -16.8514 -16.8514 -16.8408 -16.8408 -13.6410 -13.6410 -13.5418 -13.5418 -12.3266 -12.3266 -12.1802 -12.1802 -8.3848 -8.3848 -8.2786 -8.2785 -7.1579 -7.1579 -6.8656 -6.8656 -6.6943 -6.6941 -6.5892 -6.5892 -6.3328 -6.3327 -6.2418 -6.2417 -4.9063 -4.9040 -4.8930 -4.8915 -4.7061 -4.7041 -4.6312 -4.6299 -3.3935 -3.3933 -3.1114 -3.1112 -3.0168 -3.0163 -2.9571 -2.9561 -2.8177 -2.8175 -2.6454 -2.6444 -2.4785 -2.4777 -2.4351 -2.4346 -2.2517 -2.2498 -2.1612 -2.1608 -1.9958 -1.9935 -1.9468 -1.9453 -0.3279 -0.3278 -0.2095 -0.2094 4.7776 4.7778 5.1837 5.1844 5.5034 5.5055 5.5926 5.5947 5.7955 5.7965 6.0040 6.0048 6.3374 6.3387 k = 0.0000 0.7714-0.2421 ( 8798 PWs) bands (ev): -18.3440 -18.3440 -18.3074 -18.3074 -16.9133 -16.9133 -16.8868 -16.8868 -16.8511 -16.8511 -16.8402 -16.8402 -13.6409 -13.6409 -13.5418 -13.5418 -12.3265 -12.3265 -12.1802 -12.1802 -8.3848 -8.3847 -8.2787 -8.2786 -7.1571 -7.1570 -6.8657 -6.8657 -6.6951 -6.6949 -6.5843 -6.5843 -6.3350 -6.3349 -6.2413 -6.2412 -4.9090 -4.9066 -4.8915 -4.8901 -4.7158 -4.7136 -4.6230 -4.6217 -3.3956 -3.3954 -3.1113 -3.1111 -3.0204 -3.0199 -2.9469 -2.9458 -2.8216 -2.8213 -2.6451 -2.6439 -2.4765 -2.4755 -2.4357 -2.4351 -2.2602 -2.2579 -2.1621 -2.1616 -1.9998 -1.9974 -1.9376 -1.9363 -0.3284 -0.3284 -0.2099 -0.2097 4.7710 4.7712 5.1842 5.1851 5.5016 5.5040 5.5997 5.6022 5.7880 5.7893 6.0161 6.0171 6.3191 6.3207 k = 0.0000 0.7813-0.2201 ( 8800 PWs) bands (ev): -18.3440 -18.3440 -18.3071 -18.3071 -16.9146 -16.9146 -16.8869 -16.8869 -16.8508 -16.8508 -16.8395 -16.8395 -13.6408 -13.6408 -13.5419 -13.5419 -12.3263 -12.3263 -12.1801 -12.1801 -8.3847 -8.3847 -8.2788 -8.2788 -7.1560 -7.1560 -6.8659 -6.8659 -6.6959 -6.6957 -6.5784 -6.5783 -6.3377 -6.3376 -6.2407 -6.2406 -4.9124 -4.9099 -4.8897 -4.8885 -4.7256 -4.7232 -4.6147 -4.6135 -3.3983 -3.3980 -3.1117 -3.1113 -3.0228 -3.0225 -2.9358 -2.9346 -2.8263 -2.8260 -2.6447 -2.6432 -2.4740 -2.4728 -2.4366 -2.4358 -2.2705 -2.2679 -2.1633 -2.1628 -2.0030 -2.0006 -1.9283 -1.9272 -0.3290 -0.3290 -0.2103 -0.2101 4.7629 4.7632 5.1848 5.1858 5.4996 5.5022 5.6083 5.6111 5.7799 5.7814 6.0297 6.0308 6.2995 6.3013 k = 0.0000 0.7913-0.1981 ( 8802 PWs) bands (ev): -18.3441 -18.3441 -18.3069 -18.3069 -16.9160 -16.9160 -16.8872 -16.8872 -16.8504 -16.8504 -16.8387 -16.8387 -13.6407 -13.6407 -13.5421 -13.5421 -12.3261 -12.3261 -12.1800 -12.1800 -8.3847 -8.3847 -8.2790 -8.2790 -7.1548 -7.1547 -6.8662 -6.8661 -6.6966 -6.6963 -6.5717 -6.5716 -6.3409 -6.3407 -6.2401 -6.2399 -4.9164 -4.9140 -4.8879 -4.8869 -4.7351 -4.7325 -4.6067 -4.6055 -3.4012 -3.4008 -3.1126 -3.1121 -3.0241 -3.0237 -2.9241 -2.9228 -2.8316 -2.8313 -2.6440 -2.6424 -2.4710 -2.4697 -2.4376 -2.4366 -2.2823 -2.2794 -2.1647 -2.1643 -2.0055 -2.0031 -1.9191 -1.9182 -0.3298 -0.3297 -0.2108 -0.2107 4.7538 4.7541 5.1854 5.1866 5.4975 5.5001 5.6181 5.6210 5.7719 5.7735 6.0438 6.0450 6.2800 6.2818 k = 0.0000 0.8012-0.1760 ( 8786 PWs) bands (ev): -18.3442 -18.3442 -18.3065 -18.3065 -16.9176 -16.9176 -16.8875 -16.8875 -16.8500 -16.8500 -16.8378 -16.8378 -13.6405 -13.6405 -13.5422 -13.5422 -12.3259 -12.3259 -12.1799 -12.1799 -8.3847 -8.3846 -8.2792 -8.2791 -7.1533 -7.1533 -6.8665 -6.8664 -6.6972 -6.6969 -6.5643 -6.5642 -6.3444 -6.3442 -6.2392 -6.2390 -4.9212 -4.9188 -4.8861 -4.8853 -4.7439 -4.7412 -4.5989 -4.5978 -3.4044 -3.4039 -3.1140 -3.1135 -3.0242 -3.0237 -2.9120 -2.9107 -2.8373 -2.8370 -2.6430 -2.6414 -2.4676 -2.4663 -2.4387 -2.4376 -2.2952 -2.2922 -2.1664 -2.1661 -2.0073 -2.0050 -1.9103 -1.9095 -0.3306 -0.3305 -0.2114 -0.2112 4.7437 4.7440 5.1861 5.1874 5.4953 5.4979 5.6286 5.6315 5.7642 5.7659 6.0575 6.0589 6.2618 6.2636 k = 0.0000 0.8112-0.1540 ( 8785 PWs) bands (ev): -18.3443 -18.3443 -18.3061 -18.3061 -16.9193 -16.9193 -16.8879 -16.8879 -16.8495 -16.8495 -16.8368 -16.8368 -13.6403 -13.6403 -13.5424 -13.5424 -12.3256 -12.3256 -12.1798 -12.1798 -8.3847 -8.3846 -8.2794 -8.2793 -7.1518 -7.1517 -6.8669 -6.8668 -6.6975 -6.6972 -6.5566 -6.5565 -6.3480 -6.3478 -6.2383 -6.2381 -4.9267 -4.9244 -4.8844 -4.8839 -4.7518 -4.7491 -4.5915 -4.5905 -3.4076 -3.4071 -3.1161 -3.1154 -3.0233 -3.0227 -2.8998 -2.8985 -2.8432 -2.8429 -2.6418 -2.6401 -2.4638 -2.4625 -2.4400 -2.4386 -2.3091 -2.3059 -2.1683 -2.1682 -2.0087 -2.0064 -1.9022 -1.9015 -0.3314 -0.3314 -0.2121 -0.2119 4.7331 4.7335 5.1868 5.1881 5.4930 5.4955 5.6392 5.6421 5.7571 5.7589 6.0699 6.0713 6.2463 6.2479 k = 0.0000 0.8211-0.1320 ( 8788 PWs) bands (ev): -18.3444 -18.3444 -18.3057 -18.3057 -16.9210 -16.9210 -16.8884 -16.8884 -16.8490 -16.8490 -16.8358 -16.8358 -13.6400 -13.6400 -13.5426 -13.5426 -12.3253 -12.3253 -12.1797 -12.1797 -8.3847 -8.3846 -8.2796 -8.2795 -7.1501 -7.1499 -6.8674 -6.8673 -6.6976 -6.6973 -6.5489 -6.5488 -6.3516 -6.3514 -6.2373 -6.2371 -4.9329 -4.9308 -4.8832 -4.8828 -4.7586 -4.7559 -4.5845 -4.5835 -3.4108 -3.4102 -3.1186 -3.1178 -3.0217 -3.0209 -2.8877 -2.8863 -2.8490 -2.8488 -2.6402 -2.6386 -2.4597 -2.4585 -2.4414 -2.4397 -2.3235 -2.3202 -2.1705 -2.1704 -2.0097 -2.0074 -1.8947 -1.8942 -0.3323 -0.3322 -0.2129 -0.2126 4.7223 4.7226 5.1876 5.1890 5.4908 5.4931 5.6494 5.6522 5.7507 5.7526 6.0798 6.0814 6.2346 6.2362 k = 0.0000 0.8311-0.1099 ( 8783 PWs) bands (ev): -18.3446 -18.3446 -18.3053 -18.3053 -16.9227 -16.9227 -16.8889 -16.8889 -16.8485 -16.8485 -16.8347 -16.8347 -13.6397 -13.6397 -13.5429 -13.5429 -12.3249 -12.3249 -12.1796 -12.1796 -8.3847 -8.3847 -8.2798 -8.2797 -7.1482 -7.1481 -6.8680 -6.8680 -6.6975 -6.6971 -6.5413 -6.5412 -6.3550 -6.3548 -6.2362 -6.2360 -4.9398 -4.9377 -4.8824 -4.8822 -4.7640 -4.7613 -4.5778 -4.5768 -3.4139 -3.4132 -3.1213 -3.1205 -3.0197 -3.0187 -2.8761 -2.8745 -2.8544 -2.8541 -2.6383 -2.6367 -2.4556 -2.4545 -2.4427 -2.4405 -2.3382 -2.3348 -2.1730 -2.1728 -2.0105 -2.0083 -1.8882 -1.8878 -0.3332 -0.3331 -0.2136 -0.2133 4.7114 4.7117 5.1887 5.1901 5.4884 5.4905 5.6586 5.6613 5.7451 5.7471 6.0866 6.0884 6.2279 6.2295 k = 0.0000 0.8410-0.0879 ( 8780 PWs) bands (ev): -18.3448 -18.3448 -18.3048 -18.3048 -16.9244 -16.9244 -16.8894 -16.8894 -16.8481 -16.8481 -16.8336 -16.8336 -13.6394 -13.6394 -13.5431 -13.5431 -12.3245 -12.3245 -12.1795 -12.1795 -8.3848 -8.3847 -8.2799 -8.2799 -7.1464 -7.1462 -6.8688 -6.8687 -6.6971 -6.6967 -6.5343 -6.5342 -6.3580 -6.3577 -6.2351 -6.2348 -4.9471 -4.9452 -4.8824 -4.8823 -4.7678 -4.7652 -4.5714 -4.5705 -3.4167 -3.4160 -3.1242 -3.1234 -3.0176 -3.0165 -2.8665 -2.8637 -2.8590 -2.8574 -2.6360 -2.6346 -2.4522 -2.4507 -2.4436 -2.4404 -2.3529 -2.3494 -2.1758 -2.1754 -2.0111 -2.0089 -1.8827 -1.8824 -0.3340 -0.3339 -0.2144 -0.2141 4.7007 4.7010 5.1900 5.1914 5.4859 5.4877 5.6662 5.6687 5.7402 5.7422 6.0902 6.0921 6.2266 6.2283 k = 0.0000 0.8510-0.0659 ( 8779 PWs) bands (ev): -18.3451 -18.3451 -18.3042 -18.3042 -16.9260 -16.9260 -16.8900 -16.8900 -16.8476 -16.8476 -16.8325 -16.8325 -13.6390 -13.6389 -13.5434 -13.5434 -12.3241 -12.3241 -12.1794 -12.1794 -8.3849 -8.3848 -8.2801 -8.2800 -7.1444 -7.1443 -6.8696 -6.8695 -6.6964 -6.6960 -6.5282 -6.5281 -6.3602 -6.3599 -6.2339 -6.2336 -4.9548 -4.9531 -4.8834 -4.8833 -4.7698 -4.7674 -4.5652 -4.5644 -3.4192 -3.4185 -3.1271 -3.1262 -3.0158 -3.0147 -2.8656 -2.8642 -2.8525 -2.8517 -2.6334 -2.6322 -2.4510 -2.4491 -2.4420 -2.4384 -2.3671 -2.3635 -2.1788 -2.1782 -2.0117 -2.0096 -1.8784 -1.8781 -0.3347 -0.3346 -0.2153 -0.2149 4.6904 4.6907 5.1918 5.1931 5.4832 5.4848 5.6719 5.6743 5.7358 5.7378 6.0917 6.0936 6.2301 6.2319 k = 0.0000 0.8609-0.0438 ( 8778 PWs) bands (ev): -18.3455 -18.3455 -18.3037 -18.3037 -16.9275 -16.9275 -16.8906 -16.8906 -16.8472 -16.8472 -16.8315 -16.8315 -13.6385 -13.6385 -13.5438 -13.5438 -12.3237 -12.3236 -12.1793 -12.1793 -8.3850 -8.3849 -8.2802 -8.2801 -7.1425 -7.1423 -6.8706 -6.8705 -6.6956 -6.6952 -6.5234 -6.5232 -6.3615 -6.3612 -6.2326 -6.2323 -4.9627 -4.9611 -4.8854 -4.8852 -4.7700 -4.7678 -4.5593 -4.5585 -3.4214 -3.4206 -3.1299 -3.1289 -3.0147 -3.0134 -2.8683 -2.8675 -2.8432 -2.8425 -2.6306 -2.6297 -2.4518 -2.4501 -2.4375 -2.4346 -2.3803 -2.3767 -2.1819 -2.1812 -2.0123 -2.0102 -1.8753 -1.8749 -0.3353 -0.3352 -0.2161 -0.2157 4.6808 4.6810 5.1941 5.1954 5.4802 5.4816 5.6756 5.6777 5.7316 5.7335 6.0928 6.0945 6.2370 6.2389 k = 0.0000 0.8709-0.0218 ( 8789 PWs) bands (ev): -18.3459 -18.3459 -18.3031 -18.3031 -16.9289 -16.9289 -16.8912 -16.8912 -16.8469 -16.8469 -16.8304 -16.8304 -13.6380 -13.6380 -13.5441 -13.5441 -12.3232 -12.3232 -12.1792 -12.1792 -8.3852 -8.3851 -8.2802 -8.2801 -7.1405 -7.1404 -6.8718 -6.8717 -6.6946 -6.6942 -6.5200 -6.5199 -6.3617 -6.3613 -6.2314 -6.2311 -4.9705 -4.9690 -4.8884 -4.8882 -4.7684 -4.7665 -4.5536 -4.5529 -3.4231 -3.4223 -3.1324 -3.1314 -3.0143 -3.0130 -2.8704 -2.8698 -2.8348 -2.8341 -2.6280 -2.6272 -2.4536 -2.4520 -2.4328 -2.4309 -2.3915 -2.3878 -2.1853 -2.1843 -2.0130 -2.0109 -1.8734 -1.8730 -0.3359 -0.3358 -0.2169 -0.2165 4.6720 4.6722 5.1970 5.1982 5.4769 5.4780 5.6772 5.6792 5.7271 5.7289 6.0949 6.0963 6.2458 6.2478 k = 0.0000 0.8808 0.0002 ( 8795 PWs) bands (ev): -18.3464 -18.3464 -18.3025 -18.3025 -16.9301 -16.9301 -16.8917 -16.8917 -16.8466 -16.8466 -16.8294 -16.8294 -13.6374 -13.6374 -13.5445 -13.5445 -12.3227 -12.3227 -12.1792 -12.1792 -8.3855 -8.3854 -8.2801 -8.2800 -7.1386 -7.1384 -6.8731 -6.8730 -6.6935 -6.6931 -6.5184 -6.5183 -6.3605 -6.3602 -6.2301 -6.2299 -4.9780 -4.9768 -4.8923 -4.8920 -4.7652 -4.7636 -4.5482 -4.5474 -3.4243 -3.4234 -3.1346 -3.1336 -3.0148 -3.0135 -2.8716 -2.8711 -2.8277 -2.8269 -2.6257 -2.6248 -2.4559 -2.4544 -2.4307 -2.4296 -2.3982 -2.3944 -2.1888 -2.1877 -2.0138 -2.0117 -1.8728 -1.8722 -0.3363 -0.3361 -0.2177 -0.2173 4.6641 4.6643 5.2006 5.2017 5.4730 5.4738 5.6770 5.6789 5.7223 5.7240 6.0989 6.1001 6.2555 6.2576 k = 0.5000 0.5824 0.6608 ( 8786 PWs) bands (ev): -18.3243 -18.3243 -18.3243 -18.3243 -16.9110 -16.9110 -16.9110 -16.9110 -16.8386 -16.8386 -16.8386 -16.8386 -13.5916 -13.5916 -13.5916 -13.5916 -12.2504 -12.2504 -12.2504 -12.2504 -8.3334 -8.3334 -8.3333 -8.3333 -6.9958 -6.9958 -6.9957 -6.9957 -6.6041 -6.6041 -6.6039 -6.6039 -6.3046 -6.3046 -6.3044 -6.3044 -4.9451 -4.9451 -4.9441 -4.9441 -4.6892 -4.6892 -4.6882 -4.6882 -3.2665 -3.2665 -3.2655 -3.2655 -2.8979 -2.8979 -2.8963 -2.8963 -2.7257 -2.7257 -2.7245 -2.7245 -2.4310 -2.4310 -2.4284 -2.4284 -2.3134 -2.3134 -2.3125 -2.3125 -1.9550 -1.9550 -1.9536 -1.9536 -0.2795 -0.2795 -0.2793 -0.2793 4.8817 4.8817 4.8821 4.8821 5.6995 5.6995 5.7021 5.7021 5.7829 5.7829 5.7849 5.7849 6.5370 6.5370 k = 0.5000 0.5582 0.6608 ( 8790 PWs) bands (ev): -18.3242 -18.3242 -18.3242 -18.3242 -16.9132 -16.9132 -16.9132 -16.9132 -16.8371 -16.8371 -16.8371 -16.8371 -13.5913 -13.5913 -13.5913 -13.5913 -12.2496 -12.2496 -12.2496 -12.2496 -8.3332 -8.3332 -8.3331 -8.3331 -6.9951 -6.9951 -6.9950 -6.9950 -6.5992 -6.5992 -6.5990 -6.5990 -6.3025 -6.3025 -6.3023 -6.3023 -4.9450 -4.9450 -4.9439 -4.9439 -4.6971 -4.6971 -4.6961 -4.6961 -3.2717 -3.2717 -3.2707 -3.2707 -2.8945 -2.8945 -2.8931 -2.8931 -2.7177 -2.7177 -2.7164 -2.7164 -2.4347 -2.4347 -2.4321 -2.4321 -2.3215 -2.3215 -2.3206 -2.3206 -1.9565 -1.9565 -1.9551 -1.9551 -0.2786 -0.2786 -0.2784 -0.2784 4.8742 4.8742 4.8746 4.8746 5.7011 5.7011 5.7036 5.7036 5.7826 5.7826 5.7845 5.7845 6.5448 6.5448 k = 0.5000 0.5339 0.6608 ( 8800 PWs) bands (ev): -18.3242 -18.3242 -18.3242 -18.3242 -16.9153 -16.9153 -16.9153 -16.9153 -16.8356 -16.8356 -16.8356 -16.8356 -13.5909 -13.5909 -13.5909 -13.5909 -12.2488 -12.2488 -12.2488 -12.2488 -8.3329 -8.3329 -8.3328 -8.3328 -6.9945 -6.9945 -6.9944 -6.9944 -6.5944 -6.5944 -6.5942 -6.5942 -6.3002 -6.3002 -6.3000 -6.3000 -4.9448 -4.9448 -4.9437 -4.9437 -4.7046 -4.7046 -4.7036 -4.7036 -3.2769 -3.2769 -3.2759 -3.2759 -2.8913 -2.8913 -2.8899 -2.8899 -2.7098 -2.7098 -2.7087 -2.7087 -2.4386 -2.4386 -2.4361 -2.4361 -2.3302 -2.3302 -2.3292 -2.3292 -1.9580 -1.9580 -1.9567 -1.9567 -0.2775 -0.2775 -0.2773 -0.2773 4.8672 4.8672 4.8675 4.8675 5.7026 5.7026 5.7051 5.7051 5.7821 5.7821 5.7839 5.7839 6.5520 6.5520 k = 0.5000 0.5096 0.6608 ( 8786 PWs) bands (ev): -18.3241 -18.3241 -18.3241 -18.3241 -16.9175 -16.9175 -16.9175 -16.9175 -16.8341 -16.8341 -16.8341 -16.8341 -13.5905 -13.5905 -13.5905 -13.5905 -12.2479 -12.2479 -12.2479 -12.2479 -8.3326 -8.3326 -8.3326 -8.3326 -6.9939 -6.9939 -6.9937 -6.9937 -6.5898 -6.5898 -6.5896 -6.5896 -6.2978 -6.2978 -6.2975 -6.2975 -4.9444 -4.9444 -4.9433 -4.9433 -4.7115 -4.7115 -4.7105 -4.7105 -3.2822 -3.2822 -3.2811 -3.2811 -2.8881 -2.8881 -2.8868 -2.8868 -2.7023 -2.7023 -2.7012 -2.7012 -2.4427 -2.4427 -2.4402 -2.4402 -2.3394 -2.3394 -2.3383 -2.3383 -1.9597 -1.9597 -1.9584 -1.9584 -0.2763 -0.2763 -0.2761 -0.2761 4.8606 4.8606 4.8610 4.8610 5.7043 5.7043 5.7067 5.7067 5.7813 5.7813 5.7830 5.7830 6.5587 6.5587 k = 0.5000 0.4854 0.6608 ( 8794 PWs) bands (ev): -18.3241 -18.3241 -18.3241 -18.3241 -16.9196 -16.9196 -16.9196 -16.9196 -16.8326 -16.8326 -16.8326 -16.8326 -13.5901 -13.5901 -13.5901 -13.5901 -12.2470 -12.2470 -12.2470 -12.2470 -8.3324 -8.3324 -8.3323 -8.3323 -6.9932 -6.9932 -6.9931 -6.9931 -6.5852 -6.5852 -6.5850 -6.5850 -6.2953 -6.2953 -6.2950 -6.2950 -4.9441 -4.9441 -4.9430 -4.9430 -4.7179 -4.7179 -4.7169 -4.7169 -3.2874 -3.2874 -3.2864 -3.2864 -2.8851 -2.8851 -2.8839 -2.8839 -2.6950 -2.6950 -2.6939 -2.6939 -2.4468 -2.4468 -2.4444 -2.4444 -2.3489 -2.3489 -2.3478 -2.3478 -1.9616 -1.9616 -1.9602 -1.9602 -0.2750 -0.2750 -0.2748 -0.2748 4.8545 4.8545 4.8549 4.8549 5.7060 5.7060 5.7083 5.7083 5.7804 5.7804 5.7820 5.7820 6.5648 6.5648 k = 0.5000 0.4611 0.6608 ( 8784 PWs) bands (ev): -18.3242 -18.3242 -18.3242 -18.3242 -16.9216 -16.9216 -16.9216 -16.9216 -16.8311 -16.8311 -16.8311 -16.8311 -13.5896 -13.5896 -13.5896 -13.5896 -12.2460 -12.2460 -12.2460 -12.2460 -8.3321 -8.3321 -8.3321 -8.3321 -6.9926 -6.9926 -6.9925 -6.9925 -6.5808 -6.5808 -6.5806 -6.5806 -6.2927 -6.2927 -6.2924 -6.2924 -4.9438 -4.9438 -4.9427 -4.9427 -4.7237 -4.7237 -4.7227 -4.7227 -3.2927 -3.2927 -3.2916 -3.2916 -2.8821 -2.8821 -2.8810 -2.8810 -2.6880 -2.6880 -2.6870 -2.6870 -2.4511 -2.4511 -2.4487 -2.4487 -2.3588 -2.3588 -2.3577 -2.3577 -1.9635 -1.9635 -1.9622 -1.9622 -0.2736 -0.2736 -0.2734 -0.2734 4.8488 4.8488 4.8492 4.8492 5.7078 5.7078 5.7101 5.7101 5.7793 5.7793 5.7809 5.7809 6.5703 6.5703 k = 0.5000 0.4368 0.6608 ( 8778 PWs) bands (ev): -18.3242 -18.3242 -18.3242 -18.3242 -16.9236 -16.9236 -16.9236 -16.9236 -16.8297 -16.8297 -16.8297 -16.8297 -13.5890 -13.5890 -13.5890 -13.5890 -12.2450 -12.2450 -12.2450 -12.2450 -8.3319 -8.3319 -8.3318 -8.3318 -6.9920 -6.9920 -6.9919 -6.9919 -6.5766 -6.5766 -6.5764 -6.5764 -6.2900 -6.2900 -6.2898 -6.2898 -4.9436 -4.9436 -4.9424 -4.9424 -4.7289 -4.7289 -4.7279 -4.7279 -3.2979 -3.2979 -3.2968 -3.2968 -2.8793 -2.8793 -2.8782 -2.8782 -2.6814 -2.6814 -2.6803 -2.6803 -2.4554 -2.4554 -2.4531 -2.4531 -2.3690 -2.3690 -2.3678 -2.3678 -1.9655 -1.9655 -1.9642 -1.9642 -0.2722 -0.2722 -0.2719 -0.2719 4.8436 4.8436 4.8440 4.8440 5.7097 5.7097 5.7119 5.7119 5.7781 5.7781 5.7797 5.7797 6.5754 6.5754 k = 0.5000 0.4126 0.6608 ( 8778 PWs) bands (ev): -18.3243 -18.3243 -18.3243 -18.3243 -16.9256 -16.9256 -16.9256 -16.9256 -16.8283 -16.8283 -16.8283 -16.8283 -13.5885 -13.5885 -13.5885 -13.5885 -12.2440 -12.2440 -12.2440 -12.2440 -8.3316 -8.3316 -8.3316 -8.3316 -6.9914 -6.9914 -6.9913 -6.9913 -6.5725 -6.5725 -6.5723 -6.5723 -6.2874 -6.2874 -6.2871 -6.2871 -4.9434 -4.9434 -4.9423 -4.9423 -4.7334 -4.7334 -4.7324 -4.7324 -3.3030 -3.3030 -3.3020 -3.3020 -2.8765 -2.8765 -2.8755 -2.8755 -2.6750 -2.6750 -2.6740 -2.6740 -2.4597 -2.4597 -2.4574 -2.4574 -2.3792 -2.3792 -2.3780 -2.3780 -1.9677 -1.9677 -1.9664 -1.9664 -0.2707 -0.2707 -0.2704 -0.2704 4.8388 4.8388 4.8391 4.8391 5.7116 5.7116 5.7138 5.7138 5.7769 5.7769 5.7784 5.7784 6.5798 6.5798 k = 0.5000 0.3883 0.6608 ( 8782 PWs) bands (ev): -18.3244 -18.3244 -18.3244 -18.3244 -16.9275 -16.9275 -16.9275 -16.9275 -16.8269 -16.8269 -16.8269 -16.8269 -13.5879 -13.5879 -13.5879 -13.5879 -12.2429 -12.2429 -12.2429 -12.2429 -8.3314 -8.3314 -8.3313 -8.3313 -6.9909 -6.9909 -6.9907 -6.9907 -6.5687 -6.5687 -6.5685 -6.5685 -6.2847 -6.2847 -6.2844 -6.2844 -4.9435 -4.9435 -4.9423 -4.9423 -4.7373 -4.7373 -4.7363 -4.7363 -3.3081 -3.3081 -3.3071 -3.3071 -2.8739 -2.8739 -2.8730 -2.8730 -2.6690 -2.6690 -2.6680 -2.6680 -2.4639 -2.4639 -2.4617 -2.4617 -2.3896 -2.3896 -2.3884 -2.3884 -1.9699 -1.9699 -1.9686 -1.9686 -0.2691 -0.2691 -0.2689 -0.2689 4.8344 4.8344 4.8347 4.8347 5.7135 5.7135 5.7157 5.7157 5.7757 5.7757 5.7772 5.7772 6.5838 6.5838 k = 0.5000 0.3640 0.6608 ( 8786 PWs) bands (ev): -18.3246 -18.3246 -18.3246 -18.3246 -16.9293 -16.9293 -16.9293 -16.9293 -16.8256 -16.8256 -16.8256 -16.8256 -13.5873 -13.5873 -13.5873 -13.5873 -12.2419 -12.2419 -12.2419 -12.2419 -8.3311 -8.3311 -8.3311 -8.3311 -6.9903 -6.9903 -6.9902 -6.9902 -6.5650 -6.5650 -6.5648 -6.5648 -6.2820 -6.2820 -6.2818 -6.2818 -4.9437 -4.9437 -4.9425 -4.9425 -4.7406 -4.7406 -4.7395 -4.7395 -3.3130 -3.3130 -3.3120 -3.3120 -2.8714 -2.8714 -2.8705 -2.8705 -2.6633 -2.6633 -2.6623 -2.6623 -2.4681 -2.4681 -2.4659 -2.4659 -2.3999 -2.3999 -2.3987 -2.3987 -1.9722 -1.9722 -1.9709 -1.9709 -0.2675 -0.2675 -0.2673 -0.2673 4.8303 4.8303 4.8307 4.8307 5.7155 5.7155 5.7177 5.7177 5.7745 5.7745 5.7760 5.7760 6.5873 6.5873 k = 0.5000 0.3397 0.6608 ( 8786 PWs) bands (ev): -18.3247 -18.3247 -18.3247 -18.3247 -16.9311 -16.9311 -16.9311 -16.9311 -16.8244 -16.8244 -16.8243 -16.8243 -13.5867 -13.5867 -13.5867 -13.5867 -12.2408 -12.2408 -12.2408 -12.2408 -8.3309 -8.3309 -8.3308 -8.3308 -6.9898 -6.9898 -6.9896 -6.9896 -6.5615 -6.5615 -6.5613 -6.5613 -6.2794 -6.2794 -6.2791 -6.2791 -4.9441 -4.9441 -4.9429 -4.9429 -4.7432 -4.7432 -4.7422 -4.7422 -3.3179 -3.3179 -3.3168 -3.3168 -2.8690 -2.8690 -2.8682 -2.8682 -2.6579 -2.6579 -2.6569 -2.6569 -2.4721 -2.4721 -2.4700 -2.4700 -2.4101 -2.4101 -2.4089 -2.4089 -1.9745 -1.9745 -1.9733 -1.9733 -0.2660 -0.2660 -0.2657 -0.2657 4.8266 4.8266 4.8270 4.8270 5.7175 5.7175 5.7196 5.7196 5.7735 5.7735 5.7749 5.7749 6.5903 6.5903 k = 0.5000 0.3155 0.6608 ( 8788 PWs) bands (ev): -18.3249 -18.3249 -18.3249 -18.3249 -16.9327 -16.9327 -16.9327 -16.9327 -16.8231 -16.8231 -16.8231 -16.8231 -13.5862 -13.5862 -13.5862 -13.5862 -12.2398 -12.2398 -12.2398 -12.2398 -8.3307 -8.3307 -8.3306 -8.3306 -6.9893 -6.9893 -6.9891 -6.9891 -6.5582 -6.5582 -6.5580 -6.5580 -6.2768 -6.2768 -6.2766 -6.2766 -4.9446 -4.9446 -4.9435 -4.9435 -4.7452 -4.7452 -4.7442 -4.7442 -3.3225 -3.3225 -3.3215 -3.3215 -2.8668 -2.8668 -2.8660 -2.8660 -2.6528 -2.6528 -2.6518 -2.6518 -2.4760 -2.4760 -2.4740 -2.4740 -2.4201 -2.4201 -2.4188 -2.4188 -1.9769 -1.9769 -1.9757 -1.9757 -0.2644 -0.2644 -0.2642 -0.2642 4.8233 4.8233 4.8236 4.8236 5.7194 5.7194 5.7215 5.7215 5.7725 5.7725 5.7740 5.7740 6.5930 6.5930 k = 0.5000 0.2912 0.6608 ( 8792 PWs) bands (ev): -18.3250 -18.3250 -18.3250 -18.3250 -16.9343 -16.9343 -16.9343 -16.9343 -16.8220 -16.8220 -16.8220 -16.8220 -13.5856 -13.5856 -13.5856 -13.5856 -12.2388 -12.2388 -12.2388 -12.2388 -8.3305 -8.3305 -8.3304 -8.3304 -6.9887 -6.9887 -6.9886 -6.9886 -6.5551 -6.5551 -6.5550 -6.5550 -6.2744 -6.2744 -6.2741 -6.2741 -4.9454 -4.9454 -4.9443 -4.9443 -4.7466 -4.7466 -4.7456 -4.7456 -3.3270 -3.3270 -3.3260 -3.3260 -2.8647 -2.8647 -2.8640 -2.8640 -2.6480 -2.6480 -2.6470 -2.6470 -2.4797 -2.4797 -2.4777 -2.4777 -2.4299 -2.4299 -2.4285 -2.4285 -1.9792 -1.9792 -1.9781 -1.9781 -0.2629 -0.2629 -0.2627 -0.2627 4.8202 4.8202 4.8206 4.8206 5.7213 5.7213 5.7233 5.7233 5.7717 5.7717 5.7732 5.7732 6.5952 6.5952 k = 0.5000 0.2669 0.6608 ( 8796 PWs) bands (ev): -18.3252 -18.3252 -18.3252 -18.3252 -16.9358 -16.9358 -16.9358 -16.9358 -16.8209 -16.8209 -16.8209 -16.8209 -13.5850 -13.5850 -13.5850 -13.5850 -12.2379 -12.2379 -12.2379 -12.2379 -8.3302 -8.3302 -8.3302 -8.3302 -6.9883 -6.9883 -6.9881 -6.9881 -6.5523 -6.5523 -6.5521 -6.5521 -6.2720 -6.2720 -6.2718 -6.2718 -4.9463 -4.9463 -4.9452 -4.9452 -4.7475 -4.7475 -4.7465 -4.7465 -3.3312 -3.3312 -3.3303 -3.3303 -2.8627 -2.8627 -2.8621 -2.8621 -2.6436 -2.6436 -2.6426 -2.6426 -2.4832 -2.4832 -2.4812 -2.4812 -2.4392 -2.4392 -2.4378 -2.4378 -1.9815 -1.9815 -1.9804 -1.9804 -0.2614 -0.2614 -0.2612 -0.2612 4.8175 4.8175 4.8179 4.8179 5.7231 5.7231 5.7250 5.7250 5.7710 5.7710 5.7725 5.7725 6.5971 6.5971 k = 0.5000 0.2427 0.6608 ( 8792 PWs) bands (ev): -18.3253 -18.3253 -18.3253 -18.3253 -16.9371 -16.9371 -16.9371 -16.9371 -16.8199 -16.8199 -16.8199 -16.8199 -13.5845 -13.5845 -13.5845 -13.5845 -12.2369 -12.2369 -12.2369 -12.2369 -8.3301 -8.3301 -8.3300 -8.3300 -6.9878 -6.9878 -6.9876 -6.9876 -6.5497 -6.5497 -6.5495 -6.5495 -6.2697 -6.2697 -6.2695 -6.2695 -4.9473 -4.9473 -4.9462 -4.9462 -4.7480 -4.7480 -4.7471 -4.7471 -3.3352 -3.3352 -3.3343 -3.3343 -2.8609 -2.8609 -2.8603 -2.8603 -2.6394 -2.6394 -2.6384 -2.6384 -2.4865 -2.4865 -2.4845 -2.4845 -2.4481 -2.4481 -2.4467 -2.4467 -1.9837 -1.9837 -1.9827 -1.9827 -0.2600 -0.2600 -0.2599 -0.2599 4.8151 4.8151 4.8155 4.8155 5.7247 5.7247 5.7266 5.7266 5.7705 5.7705 5.7720 5.7720 6.5986 6.5986 k = 0.5000 0.2184 0.6608 ( 8804 PWs) bands (ev): -18.3255 -18.3255 -18.3255 -18.3255 -16.9384 -16.9384 -16.9384 -16.9384 -16.8190 -16.8190 -16.8190 -16.8190 -13.5840 -13.5840 -13.5840 -13.5840 -12.2361 -12.2361 -12.2361 -12.2361 -8.3299 -8.3299 -8.3298 -8.3298 -6.9874 -6.9874 -6.9872 -6.9872 -6.5473 -6.5473 -6.5472 -6.5472 -6.2677 -6.2677 -6.2675 -6.2675 -4.9484 -4.9484 -4.9473 -4.9473 -4.7482 -4.7482 -4.7472 -4.7472 -3.3389 -3.3389 -3.3381 -3.3381 -2.8593 -2.8593 -2.8587 -2.8587 -2.6356 -2.6356 -2.6346 -2.6346 -2.4895 -2.4895 -2.4875 -2.4875 -2.4565 -2.4565 -2.4549 -2.4549 -1.9858 -1.9858 -1.9849 -1.9849 -0.2588 -0.2588 -0.2586 -0.2586 4.8130 4.8130 4.8133 4.8133 5.7263 5.7263 5.7280 5.7280 5.7702 5.7702 5.7717 5.7717 6.5999 6.5999 k = 0.5000 0.1941 0.6608 ( 8798 PWs) bands (ev): -18.3257 -18.3257 -18.3257 -18.3257 -16.9395 -16.9395 -16.9395 -16.9395 -16.8182 -16.8182 -16.8182 -16.8182 -13.5835 -13.5835 -13.5835 -13.5835 -12.2353 -12.2353 -12.2353 -12.2353 -8.3297 -8.3297 -8.3297 -8.3297 -6.9870 -6.9870 -6.9868 -6.9868 -6.5452 -6.5452 -6.5450 -6.5450 -6.2657 -6.2657 -6.2655 -6.2655 -4.9495 -4.9495 -4.9484 -4.9484 -4.7480 -4.7480 -4.7471 -4.7471 -3.3423 -3.3423 -3.3416 -3.3416 -2.8578 -2.8578 -2.8573 -2.8573 -2.6321 -2.6321 -2.6312 -2.6312 -2.4923 -2.4923 -2.4903 -2.4903 -2.4643 -2.4643 -2.4626 -2.4626 -1.9878 -1.9878 -1.9869 -1.9869 -0.2575 -0.2575 -0.2574 -0.2574 4.8111 4.8111 4.8114 4.8114 5.7276 5.7276 5.7293 5.7293 5.7700 5.7700 5.7716 5.7716 6.6010 6.6010 k = 0.5000 0.1699 0.6608 ( 8790 PWs) bands (ev): -18.3258 -18.3258 -18.3258 -18.3258 -16.9406 -16.9406 -16.9406 -16.9406 -16.8175 -16.8175 -16.8175 -16.8175 -13.5831 -13.5831 -13.5831 -13.5831 -12.2346 -12.2346 -12.2346 -12.2346 -8.3296 -8.3296 -8.3296 -8.3296 -6.9866 -6.9866 -6.9865 -6.9865 -6.5433 -6.5433 -6.5431 -6.5431 -6.2640 -6.2640 -6.2638 -6.2638 -4.9506 -4.9506 -4.9495 -4.9495 -4.7477 -4.7477 -4.7467 -4.7467 -3.3454 -3.3454 -3.3447 -3.3447 -2.8565 -2.8565 -2.8560 -2.8560 -2.6290 -2.6290 -2.6280 -2.6280 -2.4949 -2.4949 -2.4927 -2.4927 -2.4714 -2.4714 -2.4695 -2.4695 -1.9897 -1.9897 -1.9889 -1.9889 -0.2564 -0.2564 -0.2563 -0.2563 4.8095 4.8095 4.8098 4.8098 5.7289 5.7289 5.7304 5.7304 5.7700 5.7700 5.7716 5.7716 6.6018 6.6018 k = 0.5000 0.1456 0.6608 ( 8788 PWs) bands (ev): -18.3259 -18.3259 -18.3259 -18.3259 -16.9414 -16.9414 -16.9414 -16.9414 -16.8168 -16.8168 -16.8168 -16.8168 -13.5827 -13.5827 -13.5827 -13.5827 -12.2339 -12.2339 -12.2339 -12.2339 -8.3295 -8.3295 -8.3294 -8.3294 -6.9863 -6.9863 -6.9861 -6.9861 -6.5416 -6.5416 -6.5415 -6.5415 -6.2625 -6.2625 -6.2623 -6.2623 -4.9516 -4.9516 -4.9506 -4.9506 -4.7472 -4.7472 -4.7463 -4.7463 -3.3481 -3.3481 -3.3475 -3.3475 -2.8553 -2.8553 -2.8549 -2.8549 -2.6262 -2.6262 -2.6253 -2.6253 -2.4972 -2.4972 -2.4949 -2.4949 -2.4777 -2.4777 -2.4756 -2.4756 -1.9913 -1.9913 -1.9906 -1.9906 -0.2555 -0.2555 -0.2553 -0.2553 4.8081 4.8081 4.8084 4.8084 5.7299 5.7299 5.7313 5.7313 5.7701 5.7701 5.7717 5.7717 6.6025 6.6025 k = 0.5000 0.1213 0.6608 ( 8792 PWs) bands (ev): -18.3260 -18.3260 -18.3260 -18.3260 -16.9422 -16.9422 -16.9422 -16.9422 -16.8162 -16.8162 -16.8162 -16.8162 -13.5824 -13.5824 -13.5824 -13.5824 -12.2334 -12.2334 -12.2334 -12.2334 -8.3294 -8.3294 -8.3293 -8.3293 -6.9860 -6.9860 -6.9859 -6.9859 -6.5402 -6.5402 -6.5401 -6.5401 -6.2611 -6.2611 -6.2610 -6.2610 -4.9526 -4.9526 -4.9516 -4.9516 -4.7467 -4.7467 -4.7458 -4.7458 -3.3504 -3.3504 -3.3499 -3.3499 -2.8544 -2.8544 -2.8540 -2.8540 -2.6238 -2.6238 -2.6229 -2.6229 -2.4992 -2.4992 -2.4967 -2.4967 -2.4832 -2.4832 -2.4809 -2.4809 -1.9928 -1.9928 -1.9921 -1.9921 -0.2546 -0.2546 -0.2545 -0.2545 4.8069 4.8069 4.8073 4.8073 5.7308 5.7308 5.7321 5.7321 5.7703 5.7703 5.7718 5.7718 6.6030 6.6030 k = 0.5000 0.0971 0.6608 ( 8788 PWs) bands (ev): -18.3261 -18.3261 -18.3261 -18.3261 -16.9428 -16.9428 -16.9428 -16.9428 -16.8158 -16.8158 -16.8158 -16.8158 -13.5821 -13.5821 -13.5821 -13.5821 -12.2329 -12.2329 -12.2329 -12.2329 -8.3293 -8.3293 -8.3292 -8.3292 -6.9858 -6.9858 -6.9856 -6.9856 -6.5391 -6.5391 -6.5389 -6.5389 -6.2600 -6.2600 -6.2599 -6.2599 -4.9535 -4.9535 -4.9525 -4.9525 -4.7462 -4.7462 -4.7453 -4.7453 -3.3523 -3.3523 -3.3519 -3.3519 -2.8536 -2.8536 -2.8532 -2.8532 -2.6218 -2.6218 -2.6208 -2.6208 -2.5010 -2.5010 -2.4983 -2.4983 -2.4877 -2.4877 -2.4852 -2.4852 -1.9940 -1.9940 -1.9934 -1.9934 -0.2539 -0.2539 -0.2538 -0.2538 4.8060 4.8060 4.8063 4.8063 5.7315 5.7315 5.7327 5.7327 5.7705 5.7705 5.7720 5.7720 6.6034 6.6034 k = 0.5000 0.0728 0.6608 ( 8790 PWs) bands (ev): -18.3262 -18.3262 -18.3262 -18.3262 -16.9433 -16.9433 -16.9433 -16.9433 -16.8154 -16.8154 -16.8154 -16.8154 -13.5819 -13.5819 -13.5819 -13.5819 -12.2326 -12.2326 -12.2325 -12.2325 -8.3292 -8.3292 -8.3292 -8.3292 -6.9856 -6.9856 -6.9854 -6.9854 -6.5382 -6.5382 -6.5381 -6.5381 -6.2592 -6.2592 -6.2590 -6.2590 -4.9542 -4.9542 -4.9532 -4.9532 -4.7457 -4.7457 -4.7448 -4.7448 -3.3538 -3.3538 -3.3535 -3.3535 -2.8529 -2.8529 -2.8526 -2.8526 -2.6202 -2.6202 -2.6193 -2.6193 -2.5024 -2.5024 -2.4997 -2.4997 -2.4911 -2.4911 -2.4886 -2.4886 -1.9949 -1.9949 -1.9944 -1.9944 -0.2534 -0.2534 -0.2533 -0.2533 4.8053 4.8053 4.8056 4.8056 5.7320 5.7320 5.7332 5.7332 5.7707 5.7707 5.7722 5.7722 6.6036 6.6036 k = 0.5000 0.0485 0.6608 ( 8800 PWs) bands (ev): -18.3263 -18.3263 -18.3263 -18.3263 -16.9437 -16.9437 -16.9437 -16.9437 -16.8152 -16.8152 -16.8152 -16.8152 -13.5818 -13.5818 -13.5818 -13.5818 -12.2323 -12.2323 -12.2323 -12.2323 -8.3292 -8.3292 -8.3291 -8.3291 -6.9855 -6.9855 -6.9853 -6.9853 -6.5376 -6.5376 -6.5374 -6.5374 -6.2585 -6.2585 -6.2584 -6.2584 -4.9547 -4.9547 -4.9537 -4.9537 -4.7454 -4.7454 -4.7444 -4.7444 -3.3549 -3.3549 -3.3547 -3.3547 -2.8525 -2.8525 -2.8521 -2.8521 -2.6190 -2.6190 -2.6181 -2.6181 -2.5034 -2.5034 -2.5008 -2.5008 -2.4935 -2.4935 -2.4911 -2.4911 -1.9956 -1.9956 -1.9951 -1.9951 -0.2530 -0.2530 -0.2529 -0.2529 4.8048 4.8048 4.8051 4.8051 5.7324 5.7324 5.7335 5.7335 5.7709 5.7709 5.7723 5.7723 6.6038 6.6038 k = 0.5000 0.0243 0.6608 ( 8782 PWs) bands (ev): -18.3263 -18.3263 -18.3263 -18.3263 -16.9439 -16.9439 -16.9439 -16.9439 -16.8150 -16.8150 -16.8150 -16.8150 -13.5817 -13.5817 -13.5817 -13.5817 -12.2321 -12.2321 -12.2321 -12.2321 -8.3291 -8.3291 -8.3291 -8.3291 -6.9854 -6.9854 -6.9852 -6.9852 -6.5372 -6.5372 -6.5370 -6.5370 -6.2581 -6.2581 -6.2580 -6.2580 -4.9550 -4.9550 -4.9540 -4.9540 -4.7451 -4.7451 -4.7442 -4.7442 -3.3556 -3.3556 -3.3554 -3.3554 -2.8522 -2.8522 -2.8519 -2.8519 -2.6183 -2.6183 -2.6174 -2.6174 -2.5040 -2.5040 -2.5016 -2.5016 -2.4947 -2.4947 -2.4926 -2.4926 -1.9960 -1.9960 -1.9956 -1.9956 -0.2527 -0.2527 -0.2527 -0.2527 4.8045 4.8045 4.8048 4.8048 5.7326 5.7326 5.7337 5.7337 5.7710 5.7710 5.7724 5.7724 6.6039 6.6039 k = 0.5000-0.0000 0.6608 ( 8776 PWs) bands (ev): -18.3263 -18.3263 -18.3263 -18.3263 -16.9440 -16.9440 -16.9440 -16.9440 -16.8150 -16.8150 -16.8150 -16.8150 -13.5816 -13.5816 -13.5816 -13.5816 -12.2321 -12.2321 -12.2321 -12.2321 -8.3291 -8.3291 -8.3291 -8.3291 -6.9853 -6.9853 -6.9852 -6.9852 -6.5370 -6.5370 -6.5369 -6.5369 -6.2580 -6.2580 -6.2579 -6.2579 -4.9551 -4.9551 -4.9541 -4.9541 -4.7450 -4.7450 -4.7441 -4.7441 -3.3558 -3.3558 -3.3556 -3.3556 -2.8521 -2.8521 -2.8518 -2.8518 -2.6180 -2.6180 -2.6172 -2.6172 -2.5042 -2.5042 -2.5019 -2.5019 -2.4951 -2.4951 -2.4931 -2.4931 -1.9962 -1.9962 -1.9958 -1.9958 -0.2526 -0.2526 -0.2526 -0.2526 4.8044 4.8044 4.8047 4.8047 5.7327 5.7327 5.7338 5.7338 5.7710 5.7710 5.7725 5.7725 6.6040 6.6040 k = 0.5000-0.0000 0.6608 ( 8776 PWs) bands (ev): -18.3263 -18.3263 -18.3263 -18.3263 -16.9440 -16.9440 -16.9440 -16.9440 -16.8150 -16.8150 -16.8150 -16.8150 -13.5816 -13.5816 -13.5816 -13.5816 -12.2321 -12.2321 -12.2321 -12.2321 -8.3291 -8.3291 -8.3291 -8.3291 -6.9853 -6.9853 -6.9852 -6.9852 -6.5370 -6.5370 -6.5369 -6.5369 -6.2580 -6.2580 -6.2579 -6.2579 -4.9551 -4.9551 -4.9541 -4.9541 -4.7450 -4.7450 -4.7441 -4.7441 -3.3558 -3.3558 -3.3556 -3.3556 -2.8521 -2.8521 -2.8518 -2.8518 -2.6180 -2.6180 -2.6172 -2.6172 -2.5042 -2.5042 -2.5019 -2.5019 -2.4951 -2.4951 -2.4931 -2.4931 -1.9962 -1.9962 -1.9958 -1.9958 -0.2526 -0.2526 -0.2526 -0.2526 4.8044 4.8044 4.8047 4.8047 5.7327 5.7327 5.7338 5.7338 5.7710 5.7710 5.7725 5.7725 6.6040 6.6040 k = 0.5000-0.0000 0.6363 ( 8778 PWs) bands (ev): -18.3264 -18.3264 -18.3264 -18.3264 -16.9438 -16.9438 -16.9438 -16.9438 -16.8150 -16.8150 -16.8150 -16.8150 -13.5816 -13.5816 -13.5816 -13.5816 -12.2321 -12.2321 -12.2321 -12.2321 -8.3291 -8.3291 -8.3291 -8.3291 -6.9855 -6.9855 -6.9853 -6.9853 -6.5380 -6.5380 -6.5378 -6.5378 -6.2580 -6.2580 -6.2579 -6.2579 -4.9545 -4.9545 -4.9534 -4.9534 -4.7442 -4.7442 -4.7432 -4.7432 -3.3554 -3.3554 -3.3552 -3.3552 -2.8527 -2.8527 -2.8523 -2.8523 -2.6191 -2.6191 -2.6177 -2.6177 -2.5131 -2.5131 -2.5089 -2.5089 -2.4880 -2.4880 -2.4831 -2.4831 -1.9961 -1.9961 -1.9957 -1.9957 -0.2526 -0.2526 -0.2526 -0.2526 4.8055 4.8055 4.8059 4.8059 5.7293 5.7293 5.7312 5.7312 5.7737 5.7737 5.7758 5.7758 6.6021 6.6021 k = 0.5000-0.0000 0.6118 ( 8782 PWs) bands (ev): -18.3265 -18.3265 -18.3265 -18.3265 -16.9433 -16.9433 -16.9433 -16.9433 -16.8152 -16.8152 -16.8152 -16.8152 -13.5815 -13.5815 -13.5815 -13.5815 -12.2322 -12.2322 -12.2322 -12.2322 -8.3291 -8.3291 -8.3291 -8.3291 -6.9858 -6.9858 -6.9857 -6.9857 -6.5406 -6.5406 -6.5404 -6.5404 -6.2580 -6.2580 -6.2578 -6.2578 -4.9527 -4.9527 -4.9515 -4.9515 -4.7417 -4.7417 -4.7406 -4.7406 -3.3543 -3.3543 -3.3540 -3.3540 -2.8545 -2.8545 -2.8540 -2.8540 -2.6222 -2.6222 -2.6199 -2.6199 -2.5231 -2.5231 -2.5193 -2.5193 -2.4760 -2.4760 -2.4707 -2.4707 -1.9961 -1.9961 -1.9954 -1.9954 -0.2525 -0.2525 -0.2524 -0.2524 4.8089 4.8089 4.8093 4.8093 5.7217 5.7217 5.7244 5.7244 5.7806 5.7806 5.7833 5.7833 6.5966 6.5966 k = 0.5000-0.0000 0.5873 ( 8786 PWs) bands (ev): -18.3268 -18.3268 -18.3268 -18.3268 -16.9426 -16.9426 -16.9426 -16.9426 -16.8156 -16.8156 -16.8156 -16.8156 -13.5814 -13.5814 -13.5814 -13.5814 -12.2323 -12.2323 -12.2323 -12.2323 -8.3292 -8.3292 -8.3292 -8.3292 -6.9864 -6.9864 -6.9862 -6.9862 -6.5450 -6.5450 -6.5447 -6.5447 -6.2581 -6.2581 -6.2578 -6.2578 -4.9498 -4.9498 -4.9484 -4.9484 -4.7375 -4.7375 -4.7361 -4.7361 -3.3525 -3.3525 -3.3519 -3.3519 -2.8574 -2.8574 -2.8567 -2.8567 -2.6273 -2.6273 -2.6240 -2.6240 -2.5317 -2.5317 -2.5284 -2.5284 -2.4638 -2.4638 -2.4583 -2.4583 -1.9958 -1.9958 -1.9950 -1.9950 -0.2522 -0.2522 -0.2522 -0.2522 4.8146 4.8146 4.8151 4.8151 5.7125 5.7125 5.7155 5.7155 5.7895 5.7895 5.7925 5.7925 6.5875 6.5875 k = 0.5000-0.0000 0.5629 ( 8780 PWs) bands (ev): -18.3271 -18.3271 -18.3271 -18.3271 -16.9415 -16.9415 -16.9415 -16.9415 -16.8161 -16.8161 -16.8161 -16.8161 -13.5813 -13.5813 -13.5813 -13.5813 -12.2325 -12.2325 -12.2325 -12.2325 -8.3293 -8.3293 -8.3293 -8.3293 -6.9872 -6.9872 -6.9870 -6.9870 -6.5509 -6.5509 -6.5506 -6.5506 -6.2582 -6.2582 -6.2579 -6.2579 -4.9459 -4.9459 -4.9442 -4.9442 -4.7315 -4.7315 -4.7299 -4.7299 -3.3499 -3.3499 -3.3492 -3.3492 -2.8615 -2.8615 -2.8605 -2.8605 -2.6345 -2.6345 -2.6302 -2.6302 -2.5383 -2.5383 -2.5354 -2.5354 -2.4520 -2.4520 -2.4464 -2.4464 -1.9954 -1.9954 -1.9943 -1.9943 -0.2519 -0.2519 -0.2519 -0.2519 4.8225 4.8225 4.8230 4.8230 5.7026 5.7026 5.7057 5.7057 5.7992 5.7992 5.8024 5.8024 6.5751 6.5751 k = 0.5000-0.0000 0.5384 ( 8794 PWs) bands (ev): -18.3276 -18.3276 -18.3276 -18.3276 -16.9401 -16.9401 -16.9401 -16.9401 -16.8167 -16.8167 -16.8167 -16.8167 -13.5811 -13.5811 -13.5811 -13.5811 -12.2328 -12.2328 -12.2328 -12.2328 -8.3294 -8.3294 -8.3294 -8.3294 -6.9882 -6.9882 -6.9880 -6.9880 -6.5582 -6.5582 -6.5578 -6.5578 -6.2585 -6.2585 -6.2581 -6.2581 -4.9411 -4.9411 -4.9392 -4.9392 -4.7237 -4.7237 -4.7220 -4.7220 -3.3466 -3.3466 -3.3457 -3.3457 -2.8666 -2.8666 -2.8654 -2.8654 -2.6436 -2.6436 -2.6386 -2.6386 -2.5427 -2.5427 -2.5402 -2.5402 -2.4409 -2.4409 -2.4352 -2.4352 -1.9947 -1.9947 -1.9935 -1.9935 -0.2516 -0.2516 -0.2515 -0.2515 4.8326 4.8326 4.8332 4.8332 5.6923 5.6923 5.6955 5.6955 5.8091 5.8091 5.8124 5.8124 6.5595 6.5595 k = 0.5000-0.0000 0.5139 ( 8798 PWs) bands (ev): -18.3281 -18.3281 -18.3281 -18.3281 -16.9385 -16.9385 -16.9385 -16.9385 -16.8175 -16.8175 -16.8175 -16.8175 -13.5808 -13.5808 -13.5808 -13.5808 -12.2331 -12.2331 -12.2331 -12.2331 -8.3295 -8.3295 -8.3295 -8.3295 -6.9894 -6.9894 -6.9892 -6.9892 -6.5666 -6.5666 -6.5662 -6.5662 -6.2589 -6.2589 -6.2585 -6.2585 -4.9356 -4.9356 -4.9335 -4.9335 -4.7142 -4.7142 -4.7122 -4.7122 -3.3426 -3.3426 -3.3416 -3.3416 -2.8727 -2.8727 -2.8713 -2.8713 -2.6544 -2.6544 -2.6489 -2.6489 -2.5450 -2.5450 -2.5429 -2.5429 -2.4305 -2.4305 -2.4248 -2.4248 -1.9937 -1.9937 -1.9923 -1.9923 -0.2511 -0.2511 -0.2511 -0.2511 4.8448 4.8448 4.8455 4.8455 5.6819 5.6819 5.6851 5.6851 5.8189 5.8189 5.8223 5.8223 6.5411 6.5411 k = 0.5000-0.0000 0.4895 ( 8794 PWs) bands (ev): -18.3288 -18.3288 -18.3288 -18.3288 -16.9366 -16.9366 -16.9365 -16.9365 -16.8184 -16.8184 -16.8184 -16.8184 -13.5806 -13.5806 -13.5806 -13.5806 -12.2334 -12.2334 -12.2334 -12.2334 -8.3297 -8.3297 -8.3296 -8.3296 -6.9908 -6.9908 -6.9906 -6.9906 -6.5760 -6.5760 -6.5755 -6.5755 -6.2596 -6.2596 -6.2592 -6.2592 -4.9297 -4.9297 -4.9274 -4.9274 -4.7028 -4.7028 -4.7007 -4.7007 -3.3381 -3.3381 -3.3368 -3.3368 -2.8797 -2.8797 -2.8782 -2.8782 -2.6664 -2.6664 -2.6607 -2.6607 -2.5457 -2.5457 -2.5438 -2.5438 -2.4212 -2.4212 -2.4154 -2.4154 -1.9924 -1.9924 -1.9908 -1.9908 -0.2507 -0.2507 -0.2506 -0.2506 4.8591 4.8591 4.8599 4.8599 5.6714 5.6714 5.6747 5.6747 5.8284 5.8284 5.8318 5.8318 6.5203 6.5203 k = 0.5000-0.0000 0.4650 ( 8804 PWs) bands (ev): -18.3295 -18.3295 -18.3295 -18.3295 -16.9344 -16.9344 -16.9344 -16.9344 -16.8195 -16.8195 -16.8195 -16.8195 -13.5803 -13.5803 -13.5803 -13.5803 -12.2338 -12.2338 -12.2338 -12.2338 -8.3299 -8.3299 -8.3298 -8.3298 -6.9923 -6.9923 -6.9922 -6.9922 -6.5862 -6.5862 -6.5856 -6.5856 -6.2606 -6.2606 -6.2601 -6.2601 -4.9234 -4.9234 -4.9210 -4.9210 -4.6898 -4.6898 -4.6875 -4.6875 -3.3329 -3.3329 -3.3315 -3.3315 -2.8877 -2.8877 -2.8859 -2.8859 -2.6793 -2.6793 -2.6735 -2.6735 -2.5450 -2.5450 -2.5434 -2.5434 -2.4129 -2.4129 -2.4072 -2.4072 -1.9906 -1.9906 -1.9888 -1.9888 -0.2501 -0.2501 -0.2500 -0.2500 4.8754 4.8754 4.8763 4.8763 5.6608 5.6608 5.6641 5.6641 5.8373 5.8373 5.8408 5.8408 6.4974 6.4974 k = 0.5000-0.0000 0.4405 ( 8798 PWs) bands (ev): -18.3302 -18.3302 -18.3302 -18.3302 -16.9319 -16.9319 -16.9319 -16.9319 -16.8207 -16.8207 -16.8207 -16.8207 -13.5799 -13.5799 -13.5799 -13.5799 -12.2342 -12.2342 -12.2342 -12.2342 -8.3301 -8.3301 -8.3300 -8.3300 -6.9940 -6.9940 -6.9939 -6.9939 -6.5968 -6.5968 -6.5963 -6.5963 -6.2618 -6.2618 -6.2614 -6.2614 -4.9170 -4.9170 -4.9145 -4.9145 -4.6751 -4.6751 -4.6728 -4.6728 -3.3273 -3.3273 -3.3257 -3.3257 -2.8963 -2.8963 -2.8943 -2.8943 -2.6927 -2.6927 -2.6869 -2.6869 -2.5433 -2.5433 -2.5419 -2.5419 -2.4058 -2.4058 -2.4003 -2.4003 -1.9883 -1.9883 -1.9864 -1.9864 -0.2495 -0.2495 -0.2494 -0.2494 4.8935 4.8935 4.8945 4.8945 5.6502 5.6502 5.6535 5.6535 5.8454 5.8454 5.8490 5.8490 6.4732 6.4732 k = 0.5000-0.0000 0.4160 ( 8798 PWs) bands (ev): -18.3310 -18.3310 -18.3310 -18.3310 -16.9293 -16.9293 -16.9293 -16.9293 -16.8220 -16.8220 -16.8220 -16.8220 -13.5796 -13.5796 -13.5796 -13.5796 -12.2346 -12.2346 -12.2346 -12.2346 -8.3303 -8.3303 -8.3302 -8.3302 -6.9959 -6.9959 -6.9957 -6.9957 -6.6078 -6.6078 -6.6073 -6.6073 -6.2634 -6.2634 -6.2629 -6.2629 -4.9106 -4.9106 -4.9081 -4.9081 -4.6589 -4.6589 -4.6566 -4.6566 -3.3212 -3.3212 -3.3194 -3.3194 -2.9056 -2.9056 -2.9034 -2.9034 -2.7064 -2.7064 -2.7007 -2.7007 -2.5409 -2.5409 -2.5396 -2.5396 -2.4000 -2.4000 -2.3946 -2.3946 -1.9854 -1.9854 -1.9835 -1.9835 -0.2490 -0.2490 -0.2488 -0.2488 4.9134 4.9134 4.9145 4.9145 5.6396 5.6396 5.6429 5.6429 5.8525 5.8525 5.8562 5.8562 6.4482 6.4482 k = 0.5000-0.0000 0.3916 ( 8790 PWs) bands (ev): -18.3319 -18.3319 -18.3319 -18.3319 -16.9264 -16.9264 -16.9264 -16.9264 -16.8235 -16.8235 -16.8235 -16.8235 -13.5792 -13.5792 -13.5792 -13.5792 -12.2351 -12.2351 -12.2351 -12.2351 -8.3305 -8.3305 -8.3305 -8.3305 -6.9978 -6.9978 -6.9976 -6.9976 -6.6189 -6.6189 -6.6184 -6.6184 -6.2652 -6.2652 -6.2648 -6.2648 -4.9044 -4.9044 -4.9019 -4.9019 -4.6414 -4.6414 -4.6391 -4.6391 -3.3148 -3.3148 -3.3128 -3.3128 -2.9153 -2.9153 -2.9129 -2.9129 -2.7201 -2.7201 -2.7146 -2.7146 -2.5378 -2.5378 -2.5367 -2.5367 -2.3953 -2.3953 -2.3901 -2.3901 -1.9821 -1.9821 -1.9801 -1.9801 -0.2483 -0.2483 -0.2482 -0.2482 4.9350 4.9350 4.9362 4.9362 5.6291 5.6291 5.6323 5.6323 5.8581 5.8581 5.8619 5.8619 6.4230 6.4230 k = 0.5000-0.0000 0.3671 ( 8786 PWs) bands (ev): -18.3327 -18.3327 -18.3327 -18.3327 -16.9233 -16.9233 -16.9233 -16.9233 -16.8252 -16.8252 -16.8251 -16.8251 -13.5788 -13.5788 -13.5788 -13.5788 -12.2356 -12.2356 -12.2355 -12.2355 -8.3308 -8.3308 -8.3308 -8.3308 -6.9998 -6.9998 -6.9996 -6.9996 -6.6301 -6.6301 -6.6295 -6.6295 -6.2673 -6.2673 -6.2669 -6.2669 -4.8983 -4.8983 -4.8958 -4.8958 -4.6229 -4.6229 -4.6206 -4.6206 -3.3081 -3.3081 -3.3061 -3.3061 -2.9253 -2.9253 -2.9226 -2.9226 -2.7339 -2.7339 -2.7286 -2.7286 -2.5344 -2.5344 -2.5334 -2.5334 -2.3919 -2.3919 -2.3868 -2.3868 -1.9783 -1.9783 -1.9763 -1.9763 -0.2477 -0.2477 -0.2476 -0.2476 4.9580 4.9580 4.9593 4.9593 5.6185 5.6185 5.6218 5.6218 5.8621 5.8621 5.8660 5.8660 6.3984 6.3984 k = 0.5000-0.0000 0.3426 ( 8786 PWs) bands (ev): -18.3336 -18.3336 -18.3336 -18.3336 -16.9201 -16.9201 -16.9201 -16.9201 -16.8270 -16.8270 -16.8269 -16.8269 -13.5784 -13.5784 -13.5784 -13.5784 -12.2361 -12.2361 -12.2360 -12.2360 -8.3311 -8.3311 -8.3311 -8.3311 -7.0019 -7.0019 -7.0017 -7.0017 -6.6410 -6.6410 -6.6405 -6.6405 -6.2696 -6.2696 -6.2692 -6.2692 -4.8925 -4.8925 -4.8901 -4.8901 -4.6035 -4.6035 -4.6013 -4.6013 -3.3014 -3.3014 -3.2991 -3.2991 -2.9353 -2.9353 -2.9324 -2.9324 -2.7476 -2.7476 -2.7425 -2.7425 -2.5307 -2.5307 -2.5298 -2.5298 -2.3895 -2.3895 -2.3847 -2.3847 -1.9740 -1.9740 -1.9720 -1.9720 -0.2472 -0.2472 -0.2470 -0.2470 4.9824 4.9824 4.9838 4.9838 5.6081 5.6081 5.6113 5.6113 5.8639 5.8639 5.8679 5.8679 6.3752 6.3752 k = 0.5000-0.0000 0.3181 ( 8782 PWs) bands (ev): -18.3345 -18.3345 -18.3345 -18.3345 -16.9167 -16.9167 -16.9167 -16.9167 -16.8289 -16.8289 -16.8289 -16.8289 -13.5780 -13.5780 -13.5780 -13.5780 -12.2366 -12.2366 -12.2365 -12.2365 -8.3314 -8.3314 -8.3314 -8.3314 -7.0039 -7.0039 -7.0037 -7.0037 -6.6516 -6.6516 -6.6511 -6.6511 -6.2721 -6.2721 -6.2717 -6.2717 -4.8870 -4.8870 -4.8848 -4.8848 -4.5837 -4.5837 -4.5816 -4.5816 -3.2946 -3.2946 -3.2923 -3.2923 -2.9451 -2.9451 -2.9419 -2.9419 -2.7613 -2.7613 -2.7564 -2.7564 -2.5268 -2.5268 -2.5259 -2.5259 -2.3882 -2.3882 -2.3836 -2.3836 -1.9694 -1.9694 -1.9674 -1.9674 -0.2466 -0.2466 -0.2465 -0.2465 5.0078 5.0078 5.0093 5.0093 5.5978 5.5978 5.6010 5.6010 5.8633 5.8633 5.8674 5.8674 6.3540 6.3540 k = 0.5000-0.0000 0.2937 ( 8770 PWs) bands (ev): -18.3354 -18.3354 -18.3354 -18.3354 -16.9132 -16.9132 -16.9131 -16.9131 -16.8310 -16.8310 -16.8309 -16.8309 -13.5775 -13.5775 -13.5775 -13.5775 -12.2370 -12.2370 -12.2370 -12.2370 -8.3317 -8.3317 -8.3317 -8.3317 -7.0060 -7.0060 -7.0058 -7.0058 -6.6619 -6.6619 -6.6614 -6.6614 -6.2747 -6.2747 -6.2743 -6.2743 -4.8819 -4.8819 -4.8798 -4.8798 -4.5636 -4.5636 -4.5616 -4.5616 -3.2880 -3.2880 -3.2855 -3.2855 -2.9545 -2.9545 -2.9511 -2.9511 -2.7747 -2.7747 -2.7701 -2.7701 -2.5228 -2.5228 -2.5220 -2.5220 -2.3877 -2.3877 -2.3835 -2.3835 -1.9645 -1.9645 -1.9626 -1.9626 -0.2460 -0.2460 -0.2459 -0.2459 5.0342 5.0342 5.0358 5.0358 5.5878 5.5878 5.5910 5.5910 5.8598 5.8598 5.8640 5.8640 6.3356 6.3356 k = 0.5000-0.0000 0.2692 ( 8778 PWs) bands (ev): -18.3363 -18.3363 -18.3363 -18.3363 -16.9095 -16.9095 -16.9095 -16.9095 -16.8332 -16.8332 -16.8332 -16.8332 -13.5771 -13.5771 -13.5771 -13.5771 -12.2376 -12.2376 -12.2375 -12.2375 -8.3321 -8.3321 -8.3320 -8.3320 -7.0080 -7.0080 -7.0078 -7.0078 -6.6716 -6.6716 -6.6711 -6.6711 -6.2774 -6.2774 -6.2770 -6.2770 -4.8772 -4.8772 -4.8751 -4.8751 -4.5436 -4.5436 -4.5417 -4.5417 -3.2817 -3.2817 -3.2791 -3.2791 -2.9632 -2.9632 -2.9596 -2.9596 -2.7881 -2.7881 -2.7836 -2.7836 -2.5188 -2.5188 -2.5180 -2.5180 -2.3880 -2.3880 -2.3841 -2.3841 -1.9594 -1.9594 -1.9576 -1.9576 -0.2455 -0.2455 -0.2454 -0.2454 5.0613 5.0613 5.0629 5.0629 5.5781 5.5781 5.5813 5.5813 5.8533 5.8533 5.8576 5.8576 6.3204 6.3204 k = 0.5000-0.0000 0.2447 ( 8756 PWs) bands (ev): -18.3371 -18.3371 -18.3371 -18.3371 -16.9058 -16.9058 -16.9057 -16.9057 -16.8356 -16.8356 -16.8356 -16.8356 -13.5767 -13.5767 -13.5767 -13.5767 -12.2380 -12.2380 -12.2380 -12.2380 -8.3324 -8.3324 -8.3324 -8.3324 -7.0100 -7.0100 -7.0098 -7.0098 -6.6807 -6.6807 -6.6802 -6.6802 -6.2800 -6.2800 -6.2797 -6.2797 -4.8728 -4.8728 -4.8709 -4.8709 -4.5240 -4.5240 -4.5222 -4.5222 -3.2757 -3.2757 -3.2731 -3.2731 -2.9710 -2.9710 -2.9673 -2.9673 -2.8012 -2.8012 -2.7970 -2.7970 -2.5148 -2.5148 -2.5141 -2.5141 -2.3890 -2.3890 -2.3853 -2.3853 -1.9542 -1.9542 -1.9525 -1.9525 -0.2450 -0.2450 -0.2449 -0.2449 5.0887 5.0887 5.0904 5.0904 5.5690 5.5690 5.5721 5.5721 5.8437 5.8437 5.8480 5.8480 6.3088 6.3088 k = 0.5000-0.0000 0.2203 ( 8772 PWs) bands (ev): -18.3379 -18.3379 -18.3379 -18.3379 -16.9019 -16.9019 -16.9019 -16.9019 -16.8381 -16.8381 -16.8381 -16.8381 -13.5764 -13.5764 -13.5764 -13.5764 -12.2385 -12.2385 -12.2385 -12.2385 -8.3328 -8.3328 -8.3327 -8.3327 -7.0119 -7.0119 -7.0117 -7.0117 -6.6891 -6.6891 -6.6887 -6.6887 -6.2827 -6.2827 -6.2823 -6.2823 -4.8688 -4.8688 -4.8670 -4.8670 -4.5051 -4.5051 -4.5035 -4.5035 -3.2703 -3.2703 -3.2677 -3.2677 -2.9776 -2.9776 -2.9739 -2.9739 -2.8140 -2.8140 -2.8101 -2.8101 -2.5110 -2.5110 -2.5103 -2.5103 -2.3903 -2.3903 -2.3870 -2.3870 -1.9492 -1.9492 -1.9476 -1.9476 -0.2446 -0.2446 -0.2445 -0.2445 5.1161 5.1161 5.1179 5.1179 5.5606 5.5606 5.5637 5.5637 5.8311 5.8311 5.8354 5.8354 6.3008 6.3008 k = 0.5000-0.0000 0.1958 ( 8778 PWs) bands (ev): -18.3386 -18.3386 -18.3386 -18.3386 -16.8981 -16.8981 -16.8980 -16.8980 -16.8408 -16.8408 -16.8407 -16.8407 -13.5760 -13.5760 -13.5760 -13.5760 -12.2389 -12.2389 -12.2389 -12.2389 -8.3331 -8.3331 -8.3331 -8.3331 -7.0136 -7.0136 -7.0134 -7.0134 -6.6968 -6.6968 -6.6964 -6.6964 -6.2852 -6.2852 -6.2849 -6.2849 -4.8653 -4.8653 -4.8636 -4.8636 -4.4872 -4.4872 -4.4857 -4.4857 -3.2655 -3.2655 -3.2629 -3.2629 -2.9830 -2.9830 -2.9792 -2.9792 -2.8265 -2.8265 -2.8228 -2.8228 -2.5073 -2.5073 -2.5067 -2.5067 -2.3921 -2.3921 -2.3890 -2.3890 -1.9443 -1.9443 -1.9428 -1.9428 -0.2442 -0.2442 -0.2441 -0.2441 5.1432 5.1432 5.1450 5.1450 5.5531 5.5531 5.5562 5.5562 5.8159 5.8159 5.8201 5.8201 6.2962 6.2962 k = 0.5000-0.0000 0.1713 ( 8780 PWs) bands (ev): -18.3393 -18.3393 -18.3393 -18.3393 -16.8941 -16.8941 -16.8941 -16.8941 -16.8436 -16.8436 -16.8435 -16.8435 -13.5757 -13.5757 -13.5757 -13.5757 -12.2393 -12.2393 -12.2393 -12.2393 -8.3334 -8.3334 -8.3334 -8.3334 -7.0152 -7.0152 -7.0150 -7.0150 -6.7037 -6.7037 -6.7033 -6.7033 -6.2875 -6.2875 -6.2873 -6.2873 -4.8621 -4.8621 -4.8606 -4.8606 -4.4706 -4.4706 -4.4692 -4.4692 -3.2614 -3.2614 -3.2589 -3.2589 -2.9870 -2.9870 -2.9832 -2.9832 -2.8385 -2.8385 -2.8350 -2.8350 -2.5039 -2.5039 -2.5033 -2.5033 -2.3939 -2.3939 -2.3912 -2.3912 -1.9396 -1.9396 -1.9383 -1.9383 -0.2439 -0.2439 -0.2438 -0.2438 5.1694 5.1694 5.1712 5.1712 5.5469 5.5469 5.5499 5.5499 5.7987 5.7987 5.8028 5.8028 6.2947 6.2947 k = 0.5000-0.0000 0.1468 ( 8788 PWs) bands (ev): -18.3399 -18.3399 -18.3399 -18.3399 -16.8902 -16.8902 -16.8902 -16.8902 -16.8465 -16.8465 -16.8465 -16.8465 -13.5754 -13.5754 -13.5754 -13.5754 -12.2397 -12.2397 -12.2397 -12.2397 -8.3337 -8.3337 -8.3337 -8.3337 -7.0166 -7.0166 -7.0164 -7.0164 -6.7097 -6.7097 -6.7093 -6.7093 -6.2897 -6.2897 -6.2894 -6.2894 -4.8593 -4.8593 -4.8579 -4.8579 -4.4556 -4.4556 -4.4543 -4.4543 -3.2580 -3.2580 -3.2558 -3.2558 -2.9894 -2.9894 -2.9859 -2.9859 -2.8499 -2.8499 -2.8467 -2.8467 -2.5007 -2.5007 -2.5002 -2.5002 -2.3959 -2.3959 -2.3935 -2.3935 -1.9354 -1.9354 -1.9343 -1.9343 -0.2436 -0.2436 -0.2435 -0.2435 5.1942 5.1942 5.1960 5.1960 5.5420 5.5420 5.5450 5.5450 5.7801 5.7801 5.7841 5.7841 6.2957 6.2957 k = 0.5000-0.0000 0.1224 ( 8796 PWs) bands (ev): -18.3404 -18.3404 -18.3404 -18.3404 -16.8863 -16.8863 -16.8863 -16.8863 -16.8496 -16.8496 -16.8495 -16.8495 -13.5751 -13.5751 -13.5751 -13.5751 -12.2400 -12.2400 -12.2400 -12.2400 -8.3340 -8.3340 -8.3340 -8.3340 -7.0179 -7.0179 -7.0177 -7.0177 -6.7149 -6.7149 -6.7145 -6.7145 -6.2916 -6.2916 -6.2914 -6.2914 -4.8570 -4.8570 -4.8557 -4.8557 -4.4424 -4.4424 -4.4412 -4.4412 -3.2554 -3.2554 -3.2534 -3.2534 -2.9906 -2.9906 -2.9872 -2.9872 -2.8605 -2.8605 -2.8576 -2.8576 -2.4979 -2.4979 -2.4974 -2.4974 -2.3978 -2.3978 -2.3957 -2.3957 -1.9317 -1.9317 -1.9307 -1.9307 -0.2433 -0.2433 -0.2433 -0.2433 5.2170 5.2170 5.2188 5.2188 5.5388 5.5388 5.5417 5.5417 5.7611 5.7611 5.7648 5.7648 6.2986 6.2986 k = 0.5000-0.0000 0.0979 ( 8796 PWs) bands (ev): -18.3409 -18.3409 -18.3409 -18.3409 -16.8824 -16.8824 -16.8824 -16.8824 -16.8527 -16.8527 -16.8527 -16.8527 -13.5749 -13.5749 -13.5749 -13.5749 -12.2403 -12.2403 -12.2403 -12.2403 -8.3342 -8.3342 -8.3342 -8.3342 -7.0189 -7.0189 -7.0187 -7.0187 -6.7191 -6.7191 -6.7188 -6.7188 -6.2932 -6.2932 -6.2930 -6.2930 -4.8551 -4.8551 -4.8539 -4.8539 -4.4313 -4.4313 -4.4301 -4.4301 -3.2534 -3.2534 -3.2517 -3.2517 -2.9905 -2.9905 -2.9876 -2.9876 -2.8700 -2.8700 -2.8674 -2.8674 -2.4955 -2.4955 -2.4951 -2.4951 -2.3994 -2.3994 -2.3977 -2.3977 -1.9285 -1.9285 -1.9276 -1.9276 -0.2431 -0.2431 -0.2431 -0.2431 5.2371 5.2371 5.2387 5.2387 5.5374 5.5374 5.5401 5.5401 5.7425 5.7425 5.7459 5.7459 6.3026 6.3026 k = 0.5000-0.0000 0.0734 ( 8818 PWs) bands (ev): -18.3412 -18.3412 -18.3412 -18.3412 -16.8786 -16.8786 -16.8785 -16.8785 -16.8560 -16.8560 -16.8560 -16.8560 -13.5748 -13.5748 -13.5748 -13.5748 -12.2405 -12.2405 -12.2405 -12.2405 -8.3344 -8.3344 -8.3344 -8.3344 -7.0197 -7.0197 -7.0195 -7.0195 -6.7225 -6.7225 -6.7222 -6.7222 -6.2944 -6.2944 -6.2943 -6.2943 -4.8536 -4.8536 -4.8524 -4.8524 -4.4224 -4.4224 -4.4213 -4.4213 -3.2519 -3.2519 -3.2506 -3.2506 -2.9896 -2.9896 -2.9872 -2.9872 -2.8780 -2.8780 -2.8758 -2.8758 -2.4936 -2.4936 -2.4932 -2.4932 -2.4009 -2.4009 -2.3994 -2.3994 -1.9259 -1.9259 -1.9252 -1.9252 -0.2430 -0.2430 -0.2429 -0.2429 5.2537 5.2537 5.2551 5.2551 5.5376 5.5376 5.5400 5.5400 5.7255 5.7255 5.7287 5.7287 6.3069 6.3069 k = 0.5000-0.0000 0.0489 ( 8824 PWs) bands (ev): -18.3415 -18.3415 -18.3415 -18.3415 -16.8749 -16.8749 -16.8748 -16.8748 -16.8593 -16.8593 -16.8593 -16.8593 -13.5747 -13.5747 -13.5747 -13.5747 -12.2407 -12.2407 -12.2407 -12.2407 -8.3345 -8.3345 -8.3345 -8.3345 -7.0203 -7.0203 -7.0201 -7.0201 -6.7249 -6.7249 -6.7246 -6.7246 -6.2954 -6.2954 -6.2953 -6.2953 -4.8525 -4.8525 -4.8514 -4.8514 -4.4159 -4.4159 -4.4149 -4.4149 -3.2509 -3.2509 -3.2500 -3.2500 -2.9883 -2.9883 -2.9866 -2.9866 -2.8842 -2.8842 -2.8825 -2.8825 -2.4921 -2.4921 -2.4919 -2.4919 -2.4019 -2.4019 -2.4007 -2.4007 -1.9240 -1.9240 -1.9234 -1.9234 -0.2429 -0.2429 -0.2428 -0.2428 5.2661 5.2661 5.2673 5.2673 5.5389 5.5389 5.5410 5.5410 5.7117 5.7117 5.7146 5.7146 6.3108 6.3108 k = 0.5000-0.0000 0.0245 ( 8834 PWs) bands (ev): -18.3417 -18.3417 -18.3417 -18.3417 -16.8714 -16.8714 -16.8714 -16.8714 -16.8625 -16.8625 -16.8625 -16.8625 -13.5746 -13.5746 -13.5746 -13.5746 -12.2408 -12.2408 -12.2408 -12.2408 -8.3346 -8.3346 -8.3346 -8.3346 -7.0207 -7.0207 -7.0205 -7.0205 -6.7263 -6.7263 -6.7260 -6.7260 -6.2959 -6.2959 -6.2959 -6.2959 -4.8519 -4.8519 -4.8508 -4.8508 -4.4120 -4.4120 -4.4110 -4.4110 -3.2503 -3.2503 -3.2498 -3.2498 -2.9870 -2.9870 -2.9861 -2.9861 -2.8880 -2.8880 -2.8868 -2.8868 -2.4912 -2.4912 -2.4911 -2.4911 -2.4026 -2.4026 -2.4015 -2.4015 -1.9229 -1.9229 -1.9224 -1.9224 -0.2428 -0.2428 -0.2428 -0.2428 5.2739 5.2739 5.2747 5.2747 5.5405 5.5405 5.5421 5.5421 5.7025 5.7025 5.7051 5.7051 6.3136 6.3136 k = 0.5000-0.0000-0.0000 ( 8848 PWs) bands (ev): -18.3417 -18.3417 -18.3417 -18.3417 -16.8694 -16.8694 -16.8694 -16.8694 -16.8645 -16.8645 -16.8644 -16.8644 -13.5746 -13.5746 -13.5746 -13.5746 -12.2408 -12.2408 -12.2408 -12.2408 -8.3346 -8.3346 -8.3346 -8.3346 -7.0208 -7.0208 -7.0206 -7.0206 -6.7268 -6.7268 -6.7265 -6.7265 -6.2961 -6.2961 -6.2961 -6.2961 -4.8517 -4.8517 -4.8506 -4.8506 -4.4107 -4.4107 -4.4097 -4.4097 -3.2501 -3.2501 -3.2498 -3.2498 -2.9863 -2.9863 -2.9862 -2.9862 -2.8893 -2.8893 -2.8883 -2.8883 -2.4909 -2.4909 -2.4908 -2.4908 -2.4028 -2.4028 -2.4018 -2.4018 -1.9225 -1.9225 -1.9220 -1.9220 -0.2428 -0.2428 -0.2428 -0.2428 5.2765 5.2765 5.2773 5.2773 5.5412 5.5412 5.5426 5.5426 5.6993 5.6993 5.7017 5.7017 6.3146 6.3146 k = 0.0000 0.0000 0.6608 ( 8790 PWs) bands (ev): -18.3749 -18.3749 -18.2750 -18.2750 -16.9747 -16.9747 -16.9126 -16.9126 -16.8402 -16.8402 -16.7924 -16.7924 -13.5864 -13.5864 -13.5778 -13.5778 -12.2579 -12.2579 -12.2061 -12.2061 -8.4129 -8.4129 -8.2403 -8.2403 -7.0221 -7.0221 -6.9277 -6.9277 -6.6017 -6.6017 -6.4798 -6.4798 -6.3478 -6.3478 -6.1868 -6.1868 -5.0123 -5.0123 -4.9390 -4.9390 -4.7826 -4.7826 -4.6479 -4.6479 -3.4690 -3.4690 -3.1955 -3.1955 -2.9944 -2.9944 -2.8344 -2.8344 -2.7479 -2.7479 -2.7259 -2.7259 -2.5079 -2.5079 -2.4360 -2.4360 -2.3690 -2.3690 -2.2745 -2.2745 -2.1454 -2.1454 -1.9050 -1.9050 -0.3103 -0.3103 -0.2370 -0.2370 4.5901 4.5901 5.1944 5.1944 5.2221 5.2221 5.5808 5.5808 5.9182 5.9182 6.2962 6.2962 6.4057 6.4057 k = 0.0238-0.0000 0.6608 ( 8792 PWs) bands (ev): -18.3748 -18.3748 -18.2752 -18.2752 -16.9746 -16.9746 -16.9127 -16.9127 -16.8402 -16.8402 -16.7925 -16.7925 -13.5864 -13.5864 -13.5778 -13.5778 -12.2578 -12.2578 -12.2061 -12.2061 -8.4127 -8.4127 -8.2406 -8.2406 -7.0221 -7.0220 -6.9279 -6.9278 -6.6015 -6.6015 -6.4800 -6.4800 -6.3475 -6.3475 -6.1870 -6.1870 -5.0120 -5.0120 -4.9391 -4.9390 -4.7826 -4.7826 -4.6483 -4.6482 -3.4687 -3.4687 -3.1962 -3.1962 -2.9940 -2.9940 -2.8335 -2.8335 -2.7481 -2.7480 -2.7256 -2.7255 -2.5080 -2.5080 -2.4364 -2.4364 -2.3697 -2.3696 -2.2751 -2.2751 -2.1450 -2.1449 -1.9052 -1.9051 -0.3101 -0.3101 -0.2370 -0.2370 4.5905 4.5905 5.1950 5.1950 5.2214 5.2214 5.5811 5.5811 5.9178 5.9178 6.2963 6.2967 6.4040 6.4045 k = 0.0476-0.0000 0.6608 ( 8776 PWs) bands (ev): -18.3744 -18.3744 -18.2756 -18.2756 -16.9743 -16.9743 -16.9130 -16.9130 -16.8399 -16.8399 -16.7926 -16.7926 -13.5864 -13.5864 -13.5778 -13.5778 -12.2576 -12.2576 -12.2063 -12.2063 -8.4120 -8.4120 -8.2414 -8.2414 -7.0218 -7.0218 -6.9284 -6.9284 -6.6009 -6.6009 -6.4804 -6.4804 -6.3467 -6.3467 -6.1875 -6.1875 -5.0114 -5.0112 -4.9392 -4.9390 -4.7826 -4.7825 -4.6493 -4.6491 -3.4678 -3.4678 -3.1982 -3.1982 -2.9928 -2.9928 -2.8308 -2.8307 -2.7485 -2.7485 -2.7245 -2.7244 -2.5083 -2.5083 -2.4374 -2.4374 -2.3716 -2.3715 -2.2770 -2.2770 -2.1437 -2.1436 -1.9056 -1.9055 -0.3094 -0.3094 -0.2369 -0.2369 4.5916 4.5917 5.1958 5.1959 5.2203 5.2203 5.5823 5.5823 5.9165 5.9165 6.2968 6.2977 6.3995 6.4005 k = 0.0714-0.0000 0.6608 ( 8792 PWs) bands (ev): -18.3737 -18.3737 -18.2764 -18.2764 -16.9739 -16.9739 -16.9134 -16.9134 -16.8396 -16.8396 -16.7930 -16.7930 -13.5863 -13.5863 -13.5779 -13.5779 -12.2573 -12.2573 -12.2067 -12.2067 -8.4109 -8.4109 -8.2426 -8.2426 -7.0215 -7.0215 -6.9294 -6.9293 -6.6000 -6.6000 -6.4811 -6.4811 -6.3453 -6.3453 -6.1884 -6.1884 -5.0102 -5.0100 -4.9393 -4.9392 -4.7825 -4.7823 -4.6509 -4.6507 -3.4663 -3.4663 -3.2014 -3.2014 -2.9908 -2.9908 -2.8263 -2.8262 -2.7492 -2.7492 -2.7226 -2.7225 -2.5086 -2.5086 -2.4391 -2.4390 -2.3747 -2.3746 -2.2802 -2.2801 -2.1416 -2.1414 -1.9062 -1.9061 -0.3084 -0.3084 -0.2369 -0.2369 4.5936 4.5937 5.1936 5.1938 5.2220 5.2221 5.5843 5.5843 5.9144 5.9144 6.2973 6.2988 6.3925 6.3941 k = 0.0952-0.0000 0.6608 ( 8808 PWs) bands (ev): -18.3728 -18.3728 -18.2774 -18.2774 -16.9733 -16.9733 -16.9141 -16.9141 -16.8390 -16.8390 -16.7934 -16.7934 -13.5862 -13.5862 -13.5779 -13.5779 -12.2568 -12.2568 -12.2072 -12.2072 -8.4093 -8.4093 -8.2444 -8.2444 -7.0210 -7.0210 -6.9307 -6.9306 -6.5988 -6.5987 -6.4821 -6.4821 -6.3434 -6.3434 -6.1897 -6.1896 -5.0086 -5.0084 -4.9396 -4.9393 -4.7824 -4.7822 -4.6532 -4.6530 -3.4643 -3.4642 -3.2058 -3.2058 -2.9879 -2.9879 -2.8202 -2.8201 -2.7502 -2.7501 -2.7201 -2.7200 -2.5092 -2.5091 -2.4415 -2.4413 -2.3790 -2.3788 -2.2847 -2.2846 -2.1386 -2.1384 -1.9072 -1.9070 -0.3069 -0.3069 -0.2368 -0.2368 4.5965 4.5966 5.1861 5.1863 5.2291 5.2291 5.5871 5.5871 5.9115 5.9115 6.2971 6.2992 6.3839 6.3862 k = 0.1190-0.0000 0.6608 ( 8802 PWs) bands (ev): -18.3716 -18.3716 -18.2787 -18.2787 -16.9726 -16.9726 -16.9148 -16.9148 -16.8384 -16.8384 -16.7939 -16.7939 -13.5861 -13.5861 -13.5780 -13.5780 -12.2562 -12.2562 -12.2079 -12.2079 -8.4073 -8.4073 -8.2467 -8.2467 -7.0203 -7.0203 -6.9323 -6.9322 -6.5971 -6.5971 -6.4833 -6.4833 -6.3410 -6.3409 -6.1913 -6.1912 -5.0066 -5.0063 -4.9399 -4.9396 -4.7822 -4.7819 -4.6561 -4.6558 -3.4616 -3.4616 -3.2113 -3.2112 -2.9843 -2.9843 -2.8127 -2.8126 -2.7514 -2.7513 -2.7168 -2.7167 -2.5098 -2.5098 -2.4444 -2.4442 -2.3843 -2.3841 -2.2905 -2.2904 -2.1346 -2.1344 -1.9084 -1.9082 -0.3051 -0.3050 -0.2367 -0.2367 4.6002 4.6003 5.1742 5.1744 5.2407 5.2407 5.5907 5.5907 5.9077 5.9077 6.2944 6.2972 6.3755 6.3786 k = 0.1429-0.0000 0.6608 ( 8800 PWs) bands (ev): -18.3702 -18.3702 -18.2803 -18.2803 -16.9717 -16.9717 -16.9158 -16.9158 -16.8376 -16.8376 -16.7945 -16.7945 -13.5859 -13.5859 -13.5781 -13.5781 -12.2554 -12.2554 -12.2087 -12.2087 -8.4048 -8.4048 -8.2494 -8.2494 -7.0195 -7.0195 -6.9343 -6.9342 -6.5952 -6.5951 -6.4849 -6.4849 -6.3380 -6.3379 -6.1932 -6.1931 -5.0042 -5.0038 -4.9402 -4.9398 -4.7818 -4.7815 -4.6595 -4.6592 -3.4584 -3.4583 -3.2176 -3.2175 -2.9800 -2.9799 -2.8040 -2.8040 -2.7527 -2.7525 -2.7129 -2.7127 -2.5105 -2.5105 -2.4480 -2.4478 -2.3905 -2.3904 -2.2976 -2.2974 -2.1298 -2.1296 -1.9100 -1.9098 -0.3028 -0.3028 -0.2366 -0.2366 4.6047 4.6049 5.1590 5.1592 5.2558 5.2558 5.5951 5.5952 5.9031 5.9031 6.2872 6.2904 6.3698 6.3734 k = 0.1667-0.0000 0.6608 ( 8786 PWs) bands (ev): -18.3686 -18.3686 -18.2821 -18.2821 -16.9706 -16.9706 -16.9169 -16.9169 -16.8367 -16.8367 -16.7953 -16.7953 -13.5857 -13.5857 -13.5782 -13.5782 -12.2545 -12.2545 -12.2096 -12.2096 -8.4019 -8.4019 -8.2526 -8.2526 -7.0185 -7.0185 -6.9365 -6.9365 -6.5929 -6.5928 -6.4867 -6.4867 -6.3346 -6.3345 -6.1954 -6.1954 -5.0014 -5.0010 -4.9406 -4.9401 -4.7814 -4.7810 -4.6635 -4.6631 -3.4546 -3.4545 -3.2248 -3.2247 -2.9748 -2.9748 -2.7948 -2.7947 -2.7536 -2.7534 -2.7083 -2.7081 -2.5112 -2.5112 -2.4521 -2.4518 -2.3976 -2.3974 -2.3059 -2.3058 -2.1242 -2.1239 -1.9120 -1.9118 -0.3003 -0.3003 -0.2365 -0.2365 4.6103 4.6104 5.1413 5.1415 5.2740 5.2740 5.6004 5.6005 5.8977 5.8977 6.2736 6.2769 6.3689 6.3726 k = 0.1905-0.0000 0.6608 ( 8798 PWs) bands (ev): -18.3667 -18.3667 -18.2842 -18.2842 -16.9694 -16.9694 -16.9181 -16.9181 -16.8356 -16.8356 -16.7962 -16.7962 -13.5855 -13.5855 -13.5784 -13.5784 -12.2534 -12.2534 -12.2106 -12.2106 -8.3987 -8.3986 -8.2562 -8.2562 -7.0174 -7.0173 -6.9391 -6.9390 -6.5903 -6.5902 -6.4888 -6.4888 -6.3307 -6.3306 -6.1980 -6.1980 -4.9983 -4.9978 -4.9410 -4.9405 -4.7808 -4.7804 -4.6680 -4.6676 -3.4503 -3.4502 -3.2326 -3.2325 -2.9690 -2.9690 -2.7861 -2.7860 -2.7533 -2.7531 -2.7031 -2.7028 -2.5120 -2.5119 -2.4567 -2.4564 -2.4054 -2.4052 -2.3155 -2.3153 -2.1177 -2.1174 -1.9145 -1.9142 -0.2975 -0.2974 -0.2365 -0.2365 4.6167 4.6169 5.1214 5.1217 5.2950 5.2950 5.6065 5.6066 5.8915 5.8915 6.2538 6.2567 6.3729 6.3762 k = 0.2143-0.0000 0.6608 ( 8804 PWs) bands (ev): -18.3645 -18.3645 -18.2865 -18.2865 -16.9680 -16.9680 -16.9195 -16.9195 -16.8345 -16.8345 -16.7971 -16.7971 -13.5853 -13.5853 -13.5785 -13.5785 -12.2523 -12.2523 -12.2118 -12.2118 -8.3950 -8.3950 -8.2602 -8.2602 -7.0161 -7.0160 -6.9419 -6.9418 -6.5873 -6.5872 -6.4912 -6.4911 -6.3265 -6.3263 -6.2010 -6.2009 -4.9950 -4.9945 -4.9415 -4.9410 -4.7800 -4.7795 -4.6729 -4.6724 -3.4455 -3.4454 -3.2410 -3.2409 -2.9625 -2.9625 -2.7801 -2.7799 -2.7498 -2.7497 -2.6973 -2.6970 -2.5127 -2.5126 -2.4619 -2.4615 -2.4137 -2.4135 -2.3262 -2.3261 -2.1105 -2.1102 -1.9174 -1.9171 -0.2944 -0.2944 -0.2366 -0.2366 4.6242 4.6244 5.0999 5.1001 5.3186 5.3186 5.6135 5.6136 5.8845 5.8845 6.2287 6.2312 6.3806 6.3835 k = 0.2381-0.0000 0.6608 ( 8804 PWs) bands (ev): -18.3622 -18.3622 -18.2890 -18.2890 -16.9665 -16.9665 -16.9211 -16.9211 -16.8332 -16.8332 -16.7982 -16.7982 -13.5851 -13.5851 -13.5787 -13.5787 -12.2510 -12.2510 -12.2130 -12.2130 -8.3910 -8.3909 -8.2646 -8.2646 -7.0145 -7.0145 -6.9450 -6.9449 -6.5841 -6.5840 -6.4938 -6.4938 -6.3218 -6.3217 -6.2042 -6.2042 -4.9915 -4.9909 -4.9420 -4.9414 -4.7790 -4.7785 -4.6783 -4.6777 -3.4402 -3.4401 -3.2498 -3.2497 -2.9554 -2.9553 -2.7785 -2.7782 -2.7415 -2.7415 -2.6910 -2.6906 -2.5133 -2.5132 -2.4674 -2.4669 -2.4223 -2.4222 -2.3380 -2.3379 -2.1027 -2.1023 -1.9209 -1.9206 -0.2910 -0.2910 -0.2368 -0.2368 4.6328 4.6330 5.0768 5.0771 5.3446 5.3447 5.6213 5.6214 5.8767 5.8767 6.1995 6.2016 6.3909 6.3935 k = 0.2619-0.0000 0.6608 ( 8808 PWs) bands (ev): -18.3596 -18.3596 -18.2918 -18.2918 -16.9649 -16.9649 -16.9227 -16.9227 -16.8318 -16.8318 -16.7993 -16.7993 -13.5848 -13.5848 -13.5789 -13.5789 -12.2497 -12.2497 -12.2144 -12.2144 -8.3866 -8.3866 -8.2694 -8.2694 -7.0128 -7.0127 -6.9483 -6.9482 -6.5807 -6.5806 -6.4968 -6.4967 -6.3169 -6.3167 -6.2078 -6.2077 -4.9878 -4.9871 -4.9426 -4.9420 -4.7778 -4.7772 -4.6839 -4.6833 -3.4344 -3.4343 -3.2590 -3.2589 -2.9477 -2.9476 -2.7803 -2.7799 -2.7297 -2.7296 -2.6842 -2.6838 -2.5138 -2.5137 -2.4732 -2.4727 -2.4312 -2.4312 -2.3508 -2.3507 -2.0942 -2.0939 -1.9250 -1.9246 -0.2876 -0.2876 -0.2371 -0.2371 4.6424 4.6427 5.0527 5.0530 5.3731 5.3732 5.6300 5.6301 5.8682 5.8682 6.1670 6.1688 6.4033 6.4056 k = 0.2857-0.0000 0.6608 ( 8796 PWs) bands (ev): -18.3569 -18.3569 -18.2947 -18.2947 -16.9632 -16.9632 -16.9245 -16.9245 -16.8304 -16.8304 -16.8006 -16.8006 -13.5845 -13.5845 -13.5791 -13.5791 -12.2482 -12.2482 -12.2159 -12.2159 -8.3819 -8.3818 -8.2744 -8.2744 -7.0109 -7.0108 -6.9517 -6.9516 -6.5770 -6.5768 -6.4999 -6.4998 -6.3116 -6.3114 -6.2117 -6.2116 -4.9841 -4.9833 -4.9433 -4.9426 -4.7763 -4.7756 -4.6899 -4.6892 -3.4282 -3.4281 -3.2684 -3.2683 -2.9394 -2.9393 -2.7840 -2.7836 -2.7160 -2.7159 -2.6770 -2.6766 -2.5141 -2.5141 -2.4794 -2.4788 -2.4401 -2.4401 -2.3645 -2.3644 -2.0852 -2.0849 -1.9296 -1.9292 -0.2840 -0.2839 -0.2377 -0.2376 4.6532 4.6535 5.0277 5.0280 5.4037 5.4038 5.6394 5.6395 5.8590 5.8591 6.1319 6.1335 6.4174 6.4195 k = 0.3095-0.0000 0.6608 ( 8790 PWs) bands (ev): -18.3540 -18.3540 -18.2978 -18.2978 -16.9613 -16.9613 -16.9264 -16.9264 -16.8288 -16.8288 -16.8019 -16.8019 -13.5842 -13.5842 -13.5794 -13.5794 -12.2467 -12.2467 -12.2174 -12.2174 -8.3768 -8.3768 -8.2798 -8.2798 -7.0088 -7.0087 -6.9553 -6.9552 -6.5730 -6.5729 -6.5033 -6.5032 -6.3061 -6.3059 -6.2159 -6.2158 -4.9803 -4.9795 -4.9440 -4.9433 -4.7744 -4.7737 -4.6960 -4.6953 -3.4215 -3.4214 -3.2781 -3.2779 -2.9307 -2.9305 -2.7888 -2.7884 -2.7013 -2.7012 -2.6695 -2.6690 -2.5143 -2.5142 -2.4856 -2.4850 -2.4489 -2.4489 -2.3790 -2.3789 -2.0759 -2.0755 -1.9348 -1.9344 -0.2802 -0.2802 -0.2383 -0.2383 4.6652 4.6655 5.0022 5.0025 5.4364 5.4365 5.6495 5.6497 5.8492 5.8492 6.0945 6.0959 6.4331 6.4350 k = 0.3333-0.0000 0.6608 ( 8780 PWs) bands (ev): -18.3509 -18.3509 -18.3010 -18.3010 -16.9594 -16.9594 -16.9284 -16.9284 -16.8272 -16.8272 -16.8034 -16.8034 -13.5839 -13.5839 -13.5796 -13.5796 -12.2450 -12.2450 -12.2191 -12.2191 -8.3715 -8.3715 -8.2854 -8.2854 -7.0065 -7.0064 -6.9590 -6.9589 -6.5689 -6.5688 -6.5069 -6.5068 -6.3004 -6.3002 -6.2203 -6.2202 -4.9765 -4.9757 -4.9448 -4.9440 -4.7722 -4.7714 -4.7023 -4.7016 -3.4144 -3.4143 -3.2878 -3.2877 -2.9215 -2.9214 -2.7946 -2.7942 -2.6863 -2.6861 -2.6617 -2.6611 -2.5142 -2.5140 -2.4918 -2.4912 -2.4574 -2.4574 -2.3941 -2.3939 -2.0661 -2.0657 -1.9405 -1.9402 -0.2765 -0.2765 -0.2393 -0.2393 4.6784 4.6786 4.9764 4.9767 5.4710 5.4711 5.6604 5.6605 5.8387 5.8387 6.0553 6.0566 6.4501 6.4519 k = 0.3571-0.0000 0.6608 ( 8786 PWs) bands (ev): -18.3477 -18.3477 -18.3044 -18.3044 -16.9573 -16.9573 -16.9305 -16.9305 -16.8256 -16.8256 -16.8049 -16.8049 -13.5836 -13.5836 -13.5799 -13.5799 -12.2433 -12.2433 -12.2208 -12.2208 -8.3660 -8.3660 -8.2913 -8.2913 -7.0040 -7.0039 -6.9628 -6.9626 -6.5646 -6.5645 -6.5108 -6.5107 -6.2945 -6.2943 -6.2251 -6.2250 -4.9729 -4.9720 -4.9458 -4.9449 -4.7696 -4.7688 -4.7087 -4.7079 -3.4070 -3.4069 -3.2977 -3.2975 -2.9120 -2.9118 -2.8011 -2.8007 -2.6712 -2.6711 -2.6538 -2.6532 -2.5138 -2.5136 -2.4977 -2.4972 -2.4655 -2.4654 -2.4096 -2.4095 -2.0562 -2.0558 -1.9469 -1.9465 -0.2728 -0.2728 -0.2404 -0.2404 4.6927 4.6930 4.9505 4.9508 5.5073 5.5075 5.6718 5.6720 5.8276 5.8277 6.0147 6.0158 6.4685 6.4701 k = 0.3810-0.0000 0.6608 ( 8782 PWs) bands (ev): -18.3444 -18.3444 -18.3079 -18.3079 -16.9552 -16.9552 -16.9326 -16.9326 -16.8239 -16.8239 -16.8064 -16.8064 -13.5833 -13.5833 -13.5801 -13.5801 -12.2415 -12.2415 -12.2226 -12.2226 -8.3602 -8.3602 -8.2973 -8.2973 -7.0014 -7.0012 -6.9666 -6.9664 -6.5602 -6.5601 -6.5148 -6.5147 -6.2885 -6.2883 -6.2301 -6.2299 -4.9693 -4.9684 -4.9469 -4.9460 -4.7666 -4.7657 -4.7151 -4.7143 -3.3992 -3.3991 -3.3075 -3.3074 -2.9022 -2.9020 -2.8083 -2.8079 -2.6567 -2.6565 -2.6460 -2.6453 -2.5131 -2.5130 -2.5028 -2.5025 -2.4730 -2.4730 -2.4254 -2.4253 -2.0461 -2.0457 -1.9539 -1.9535 -0.2691 -0.2691 -0.2418 -0.2418 4.7083 4.7086 4.9248 4.9251 5.5452 5.5453 5.6836 5.6839 5.8160 5.8161 5.9730 5.9740 6.4881 6.4897 k = 0.4048-0.0000 0.6608 ( 8784 PWs) bands (ev): -18.3409 -18.3409 -18.3115 -18.3115 -16.9531 -16.9531 -16.9348 -16.9348 -16.8221 -16.8221 -16.8080 -16.8080 -13.5829 -13.5829 -13.5804 -13.5804 -12.2397 -12.2397 -12.2244 -12.2244 -8.3543 -8.3542 -8.3035 -8.3035 -6.9985 -6.9984 -6.9704 -6.9703 -6.5557 -6.5555 -6.5190 -6.5189 -6.2824 -6.2822 -6.2353 -6.2351 -4.9660 -4.9651 -4.9481 -4.9472 -4.7631 -4.7623 -4.7215 -4.7206 -3.3911 -3.3909 -3.3174 -3.3172 -2.8922 -2.8920 -2.8161 -2.8157 -2.6434 -2.6431 -2.6383 -2.6376 -2.5123 -2.5123 -2.5064 -2.5064 -2.4799 -2.4798 -2.4413 -2.4410 -2.0359 -2.0355 -1.9614 -1.9610 -0.2655 -0.2655 -0.2434 -0.2434 4.7252 4.7255 4.8994 4.8997 5.5844 5.5845 5.6959 5.6962 5.8041 5.8042 5.9304 5.9314 6.5090 6.5105 k = 0.4286-0.0000 0.6608 ( 8782 PWs) bands (ev): -18.3373 -18.3373 -18.3151 -18.3151 -16.9508 -16.9508 -16.9370 -16.9370 -16.8203 -16.8203 -16.8097 -16.8097 -13.5826 -13.5826 -13.5807 -13.5807 -12.2378 -12.2378 -12.2263 -12.2263 -8.3481 -8.3481 -8.3098 -8.3098 -6.9954 -6.9953 -6.9742 -6.9741 -6.5511 -6.5509 -6.5234 -6.5232 -6.2763 -6.2761 -6.2407 -6.2406 -4.9629 -4.9619 -4.9495 -4.9486 -4.7592 -4.7584 -4.7277 -4.7268 -3.3826 -3.3825 -3.3272 -3.3270 -2.8821 -2.8819 -2.8244 -2.8240 -2.6321 -2.6317 -2.6311 -2.6302 -2.5120 -2.5119 -2.5077 -2.5071 -2.4862 -2.4859 -2.4568 -2.4565 -2.0257 -2.0253 -1.9694 -1.9690 -0.2620 -0.2620 -0.2453 -0.2453 4.7433 4.7436 4.8745 4.8748 5.6246 5.6247 5.7083 5.7086 5.7920 5.7922 5.8875 5.8884 6.5311 6.5325 k = 0.4524-0.0000 0.6608 ( 8772 PWs) bands (ev): -18.3337 -18.3337 -18.3188 -18.3188 -16.9486 -16.9486 -16.9393 -16.9393 -16.8185 -16.8185 -16.8114 -16.8114 -13.5823 -13.5823 -13.5810 -13.5810 -12.2359 -12.2359 -12.2282 -12.2282 -8.3419 -8.3419 -8.3162 -8.3162 -6.9922 -6.9921 -6.9780 -6.9779 -6.5464 -6.5463 -6.5278 -6.5277 -6.2701 -6.2700 -6.2463 -6.2462 -4.9601 -4.9591 -4.9511 -4.9502 -4.7549 -4.7540 -4.7337 -4.7329 -3.3739 -3.3738 -3.3368 -3.3367 -2.8720 -2.8717 -2.8333 -2.8329 -2.6251 -2.6243 -2.6235 -2.6228 -2.5110 -2.5108 -2.5064 -2.5053 -2.4917 -2.4911 -2.4715 -2.4710 -2.0157 -2.0153 -1.9779 -1.9775 -0.2587 -0.2587 -0.2475 -0.2475 4.7625 4.7628 4.8503 4.8506 5.6654 5.6654 5.7205 5.7209 5.7800 5.7804 5.8446 5.8456 6.5543 6.5556 k = 0.4762-0.0000 0.6608 ( 8774 PWs) bands (ev): -18.3300 -18.3300 -18.3226 -18.3226 -16.9463 -16.9463 -16.9416 -16.9416 -16.8167 -16.8167 -16.8132 -16.8132 -13.5819 -13.5819 -13.5813 -13.5813 -12.2340 -12.2340 -12.2301 -12.2301 -8.3355 -8.3355 -8.3227 -8.3226 -6.9888 -6.9887 -6.9817 -6.9816 -6.5417 -6.5416 -6.5324 -6.5323 -6.2640 -6.2639 -6.2521 -6.2519 -4.9574 -4.9564 -4.9530 -4.9520 -4.7502 -4.7493 -4.7396 -4.7386 -3.3650 -3.3648 -3.3464 -3.3462 -2.8620 -2.8617 -2.8425 -2.8422 -2.6204 -2.6195 -2.6189 -2.6181 -2.5079 -2.5070 -2.5042 -2.5020 -2.4967 -2.4948 -2.4847 -2.4838 -2.0058 -2.0054 -1.9869 -1.9864 -0.2555 -0.2555 -0.2499 -0.2499 4.7829 4.7832 4.8269 4.8272 5.7049 5.7052 5.7312 5.7320 5.7696 5.7703 5.8032 5.8043 6.5786 6.5799 k = 0.5000-0.0000 0.6608 ( 8776 PWs) bands (ev): -18.3263 -18.3263 -18.3263 -18.3263 -16.9440 -16.9440 -16.9440 -16.9440 -16.8150 -16.8150 -16.8150 -16.8150 -13.5816 -13.5816 -13.5816 -13.5816 -12.2321 -12.2321 -12.2321 -12.2321 -8.3291 -8.3291 -8.3291 -8.3291 -6.9853 -6.9853 -6.9852 -6.9852 -6.5370 -6.5370 -6.5369 -6.5369 -6.2580 -6.2580 -6.2579 -6.2579 -4.9551 -4.9551 -4.9541 -4.9541 -4.7450 -4.7450 -4.7441 -4.7441 -3.3558 -3.3558 -3.3556 -3.3556 -2.8521 -2.8521 -2.8518 -2.8518 -2.6180 -2.6180 -2.6172 -2.6172 -2.5042 -2.5042 -2.5019 -2.5019 -2.4951 -2.4951 -2.4931 -2.4931 -1.9962 -1.9962 -1.9958 -1.9958 -0.2526 -0.2526 -0.2526 -0.2526 4.8044 4.8044 4.8047 4.8047 5.7327 5.7327 5.7338 5.7338 5.7710 5.7710 5.7725 5.7725 6.6040 6.6040 Writing output data file H5C4N3.save init_run : 1.07s CPU 0.76s WALL ( 1 calls) electrons : 461.84s CPU 365.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.03s WALL ( 1 calls) potinit : 0.19s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 461.84s CPU 365.25s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.29s CPU 0.28s WALL ( 236 calls) cegterg : 384.60s CPU 321.18s WALL ( 348 calls) Called by sum_band: Called by *egterg: h_psi : 262.29s CPU 177.54s WALL ( 5546 calls) s_psi : 15.81s CPU 12.35s WALL ( 5546 calls) g_psi : 0.66s CPU 0.59s WALL ( 4962 calls) cdiaghg : 114.16s CPU 111.77s WALL ( 5198 calls) cegterg:over : 20.34s CPU 19.93s WALL ( 4962 calls) cegterg:upda : 18.73s CPU 18.10s WALL ( 4962 calls) cegterg:last : 8.24s CPU 8.29s WALL ( 820 calls) cdiaghg:chol : 6.72s CPU 6.66s WALL ( 5198 calls) cdiaghg:inve : 4.73s CPU 4.77s WALL ( 5198 calls) cdiaghg:para : 8.60s CPU 8.71s WALL ( 10396 calls) Called by h_psi: h_psi:vloc : 225.48s CPU 148.53s WALL ( 5546 calls) h_psi:vnl : 35.95s CPU 28.35s WALL ( 5546 calls) add_vuspsi : 16.95s CPU 13.17s WALL ( 5546 calls) General routines calbec : 18.94s CPU 15.16s WALL ( 5546 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 211.66s CPU 137.49s WALL ( 976828 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.45s CPU 2.12s WALL ( 472 calls) Parallel routines fft_scatter : 79.97s CPU 63.39s WALL ( 976851 calls) PWSCF : 8m12.16s CPU 7m32.30s WALL This run was terminated on: 0:35:31 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=