Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:25: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiBeH3.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 137 64 18 10251 3328 492 Max 138 65 19 10256 3345 497 Sum 4955 2335 657 369105 120179 17789 bravais-lattice index = 14 lattice parameter (alat) = 8.3344 a.u. unit-cell volume = 850.4512 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.334448 celldm(2)= 1.028501 celldm(3)= 1.428283 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.028501 0.000000 ) a(3) = ( 0.000000 0.000000 1.428283 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.972289 -0.000000 ) b(3) = ( 0.000000 0.000000 0.700141 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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) Li 3.00 6.94100 Li( 1.00) Be 4.00 9.01220 Be( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7141416 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7141416 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 396 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0025253 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0025253 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0025253 k( 6) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0025253 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0025253 k( 8) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0025253 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0025253 k( 10) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0025253 k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0025253 k( 12) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0025253 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0025253 k( 14) = ( 0.1805556 -0.0000000 -0.0000000), wk = 0.0025253 k( 15) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0025253 k( 16) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0025253 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0025253 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0025253 k( 19) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025253 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0025253 k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0025253 k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0025253 k( 23) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0025253 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0025253 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0025253 k( 26) = ( 0.3472222 -0.0000000 -0.0000000), wk = 0.0025253 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0025253 k( 28) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0025253 k( 29) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0025253 k( 30) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0025253 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0025253 k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0025253 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0025253 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0025253 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0025253 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0025253 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 39) = ( 0.5000000 0.0138898 -0.0000000), wk = 0.0025253 k( 40) = ( 0.5000000 0.0277797 -0.0000000), wk = 0.0025253 k( 41) = ( 0.5000000 0.0416695 -0.0000000), wk = 0.0025253 k( 42) = ( 0.5000000 0.0555594 -0.0000000), wk = 0.0025253 k( 43) = ( 0.5000000 0.0694492 -0.0000000), wk = 0.0025253 k( 44) = ( 0.5000000 0.0833391 -0.0000000), wk = 0.0025253 k( 45) = ( 0.5000000 0.0972289 -0.0000000), wk = 0.0025253 k( 46) = ( 0.5000000 0.1111187 -0.0000000), wk = 0.0025253 k( 47) = ( 0.5000000 0.1250086 -0.0000000), wk = 0.0025253 k( 48) = ( 0.5000000 0.1388984 -0.0000000), wk = 0.0025253 k( 49) = ( 0.5000000 0.1527883 -0.0000000), wk = 0.0025253 k( 50) = ( 0.5000000 0.1666781 -0.0000000), wk = 0.0025253 k( 51) = ( 0.5000000 0.1805680 -0.0000000), wk = 0.0025253 k( 52) = ( 0.5000000 0.1944578 -0.0000000), wk = 0.0025253 k( 53) = ( 0.5000000 0.2083476 -0.0000000), wk = 0.0025253 k( 54) = ( 0.5000000 0.2222375 -0.0000000), wk = 0.0025253 k( 55) = ( 0.5000000 0.2361273 -0.0000000), wk = 0.0025253 k( 56) = ( 0.5000000 0.2500172 -0.0000000), wk = 0.0025253 k( 57) = ( 0.5000000 0.2639070 -0.0000000), wk = 0.0025253 k( 58) = ( 0.5000000 0.2777969 -0.0000000), wk = 0.0025253 k( 59) = ( 0.5000000 0.2916867 -0.0000000), wk = 0.0025253 k( 60) = ( 0.5000000 0.3055765 -0.0000000), wk = 0.0025253 k( 61) = ( 0.5000000 0.3194664 -0.0000000), wk = 0.0025253 k( 62) = ( 0.5000000 0.3333562 -0.0000000), wk = 0.0025253 k( 63) = ( 0.5000000 0.3472461 -0.0000000), wk = 0.0025253 k( 64) = ( 0.5000000 0.3611359 -0.0000000), wk = 0.0025253 k( 65) = ( 0.5000000 0.3750258 -0.0000000), wk = 0.0025253 k( 66) = ( 0.5000000 0.3889156 -0.0000000), wk = 0.0025253 k( 67) = ( 0.5000000 0.4028054 -0.0000000), wk = 0.0025253 k( 68) = ( 0.5000000 0.4166953 -0.0000000), wk = 0.0025253 k( 69) = ( 0.5000000 0.4305851 -0.0000000), wk = 0.0025253 k( 70) = ( 0.5000000 0.4444750 -0.0000000), wk = 0.0025253 k( 71) = ( 0.5000000 0.4583648 -0.0000000), wk = 0.0025253 k( 72) = ( 0.5000000 0.4722546 -0.0000000), wk = 0.0025253 k( 73) = ( 0.5000000 0.4861445 -0.0000000), wk = 0.0025253 k( 74) = ( 0.5000000 0.4861445 -0.0000000), wk = 0.0025253 k( 75) = ( 0.4861111 0.4861445 -0.0000000), wk = 0.0025253 k( 76) = ( 0.4722222 0.4861445 -0.0000000), wk = 0.0025253 k( 77) = ( 0.4583333 0.4861445 -0.0000000), wk = 0.0025253 k( 78) = ( 0.4444444 0.4861445 -0.0000000), wk = 0.0025253 k( 79) = ( 0.4305556 0.4861445 -0.0000000), wk = 0.0025253 k( 80) = ( 0.4166667 0.4861445 -0.0000000), wk = 0.0025253 k( 81) = ( 0.4027778 0.4861445 -0.0000000), wk = 0.0025253 k( 82) = ( 0.3888889 0.4861445 -0.0000000), wk = 0.0025253 k( 83) = ( 0.3750000 0.4861445 -0.0000000), wk = 0.0025253 k( 84) = ( 0.3611111 0.4861445 -0.0000000), wk = 0.0025253 k( 85) = ( 0.3472222 0.4861445 -0.0000000), wk = 0.0025253 k( 86) = ( 0.3333333 0.4861445 -0.0000000), wk = 0.0025253 k( 87) = ( 0.3194444 0.4861445 -0.0000000), wk = 0.0025253 k( 88) = ( 0.3055556 0.4861445 -0.0000000), wk = 0.0025253 k( 89) = ( 0.2916667 0.4861445 -0.0000000), wk = 0.0025253 k( 90) = ( 0.2777778 0.4861445 -0.0000000), wk = 0.0025253 k( 91) = ( 0.2638889 0.4861445 -0.0000000), wk = 0.0025253 k( 92) = ( 0.2500000 0.4861445 -0.0000000), wk = 0.0025253 k( 93) = ( 0.2361111 0.4861445 -0.0000000), wk = 0.0025253 k( 94) = ( 0.2222222 0.4861445 -0.0000000), wk = 0.0025253 k( 95) = ( 0.2083333 0.4861445 -0.0000000), wk = 0.0025253 k( 96) = ( 0.1944444 0.4861445 -0.0000000), wk = 0.0025253 k( 97) = ( 0.1805556 0.4861445 -0.0000000), wk = 0.0025253 k( 98) = ( 0.1666667 0.4861445 -0.0000000), wk = 0.0025253 k( 99) = ( 0.1527778 0.4861445 -0.0000000), wk = 0.0025253 k( 100) = ( 0.1388889 0.4861445 -0.0000000), wk = 0.0025253 k( 101) = ( 0.1250000 0.4861445 -0.0000000), wk = 0.0025253 k( 102) = ( 0.1111111 0.4861445 -0.0000000), wk = 0.0025253 k( 103) = ( 0.0972222 0.4861445 -0.0000000), wk = 0.0025253 k( 104) = ( 0.0833333 0.4861445 -0.0000000), wk = 0.0025253 k( 105) = ( 0.0694444 0.4861445 -0.0000000), wk = 0.0025253 k( 106) = ( 0.0555556 0.4861445 -0.0000000), wk = 0.0025253 k( 107) = ( 0.0416667 0.4861445 -0.0000000), wk = 0.0025253 k( 108) = ( 0.0277778 0.4861445 -0.0000000), wk = 0.0025253 k( 109) = ( 0.0138889 0.4861445 -0.0000000), wk = 0.0025253 k( 110) = ( 0.0000000 0.4861445 -0.0000000), wk = 0.0025253 k( 111) = ( 0.0000000 0.4861445 -0.0000000), wk = 0.0025253 k( 112) = ( 0.0000000 0.4722546 -0.0000000), wk = 0.0025253 k( 113) = ( 0.0000000 0.4583648 -0.0000000), wk = 0.0025253 k( 114) = ( 0.0000000 0.4444750 -0.0000000), wk = 0.0025253 k( 115) = ( 0.0000000 0.4305851 -0.0000000), wk = 0.0025253 k( 116) = ( 0.0000000 0.4166953 -0.0000000), wk = 0.0025253 k( 117) = ( 0.0000000 0.4028054 -0.0000000), wk = 0.0025253 k( 118) = ( 0.0000000 0.3889156 -0.0000000), wk = 0.0025253 k( 119) = ( 0.0000000 0.3750258 -0.0000000), wk = 0.0025253 k( 120) = ( 0.0000000 0.3611359 -0.0000000), wk = 0.0025253 k( 121) = ( 0.0000000 0.3472461 -0.0000000), wk = 0.0025253 k( 122) = ( 0.0000000 0.3333562 -0.0000000), wk = 0.0025253 k( 123) = ( 0.0000000 0.3194664 -0.0000000), wk = 0.0025253 k( 124) = ( 0.0000000 0.3055765 -0.0000000), wk = 0.0025253 k( 125) = ( 0.0000000 0.2916867 -0.0000000), wk = 0.0025253 k( 126) = ( 0.0000000 0.2777969 -0.0000000), wk = 0.0025253 k( 127) = ( 0.0000000 0.2639070 -0.0000000), wk = 0.0025253 k( 128) = ( 0.0000000 0.2500172 -0.0000000), wk = 0.0025253 k( 129) = ( 0.0000000 0.2361273 -0.0000000), wk = 0.0025253 k( 130) = ( 0.0000000 0.2222375 -0.0000000), wk = 0.0025253 k( 131) = ( 0.0000000 0.2083476 -0.0000000), wk = 0.0025253 k( 132) = ( 0.0000000 0.1944578 -0.0000000), wk = 0.0025253 k( 133) = ( 0.0000000 0.1805680 -0.0000000), wk = 0.0025253 k( 134) = ( 0.0000000 0.1666781 -0.0000000), wk = 0.0025253 k( 135) = ( 0.0000000 0.1527883 -0.0000000), wk = 0.0025253 k( 136) = ( 0.0000000 0.1388984 -0.0000000), wk = 0.0025253 k( 137) = ( 0.0000000 0.1250086 -0.0000000), wk = 0.0025253 k( 138) = ( 0.0000000 0.1111187 -0.0000000), wk = 0.0025253 k( 139) = ( 0.0000000 0.0972289 -0.0000000), wk = 0.0025253 k( 140) = ( 0.0000000 0.0833391 -0.0000000), wk = 0.0025253 k( 141) = ( 0.0000000 0.0694492 -0.0000000), wk = 0.0025253 k( 142) = ( 0.0000000 0.0555594 -0.0000000), wk = 0.0025253 k( 143) = ( 0.0000000 0.0416695 -0.0000000), wk = 0.0025253 k( 144) = ( 0.0000000 0.0277797 -0.0000000), wk = 0.0025253 k( 145) = ( 0.0000000 0.0138898 -0.0000000), wk = 0.0025253 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 148) = ( 0.0000000 0.0000000 0.0140028), wk = 0.0025253 k( 149) = ( 0.0000000 0.0000000 0.0280057), wk = 0.0025253 k( 150) = ( 0.0000000 0.0000000 0.0420085), wk = 0.0025253 k( 151) = ( 0.0000000 0.0000000 0.0560113), wk = 0.0025253 k( 152) = ( 0.0000000 0.0000000 0.0700141), wk = 0.0025253 k( 153) = ( 0.0000000 0.0000000 0.0840170), wk = 0.0025253 k( 154) = ( 0.0000000 0.0000000 0.0980198), wk = 0.0025253 k( 155) = ( 0.0000000 0.0000000 0.1120226), wk = 0.0025253 k( 156) = ( 0.0000000 0.0000000 0.1260254), wk = 0.0025253 k( 157) = ( 0.0000000 0.0000000 0.1400283), wk = 0.0025253 k( 158) = ( 0.0000000 0.0000000 0.1540311), wk = 0.0025253 k( 159) = ( 0.0000000 0.0000000 0.1680339), wk = 0.0025253 k( 160) = ( 0.0000000 0.0000000 0.1820367), wk = 0.0025253 k( 161) = ( 0.0000000 0.0000000 0.1960396), wk = 0.0025253 k( 162) = ( 0.0000000 0.0000000 0.2100424), wk = 0.0025253 k( 163) = ( 0.0000000 0.0000000 0.2240452), wk = 0.0025253 k( 164) = ( 0.0000000 0.0000000 0.2380480), wk = 0.0025253 k( 165) = ( 0.0000000 0.0000000 0.2520509), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.2660537), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.2800565), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.2940593), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.3080622), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.3220650), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.3360678), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.3500706), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.3500706), wk = 0.0025253 k( 174) = ( 0.0138889 -0.0000000 0.3500706), wk = 0.0025253 k( 175) = ( 0.0277778 -0.0000000 0.3500706), wk = 0.0025253 k( 176) = ( 0.0416667 -0.0000000 0.3500706), wk = 0.0025253 k( 177) = ( 0.0555556 -0.0000000 0.3500706), wk = 0.0025253 k( 178) = ( 0.0694444 -0.0000000 0.3500706), wk = 0.0025253 k( 179) = ( 0.0833333 -0.0000000 0.3500706), wk = 0.0025253 k( 180) = ( 0.0972222 -0.0000000 0.3500706), wk = 0.0025253 k( 181) = ( 0.1111111 -0.0000000 0.3500706), wk = 0.0025253 k( 182) = ( 0.1250000 -0.0000000 0.3500706), wk = 0.0025253 k( 183) = ( 0.1388889 -0.0000000 0.3500706), wk = 0.0025253 k( 184) = ( 0.1527778 -0.0000000 0.3500706), wk = 0.0025253 k( 185) = ( 0.1666667 -0.0000000 0.3500706), wk = 0.0025253 k( 186) = ( 0.1805556 -0.0000000 0.3500706), wk = 0.0025253 k( 187) = ( 0.1944444 -0.0000000 0.3500706), wk = 0.0025253 k( 188) = ( 0.2083333 -0.0000000 0.3500706), wk = 0.0025253 k( 189) = ( 0.2222222 -0.0000000 0.3500706), wk = 0.0025253 k( 190) = ( 0.2361111 -0.0000000 0.3500706), wk = 0.0025253 k( 191) = ( 0.2500000 -0.0000000 0.3500706), wk = 0.0025253 k( 192) = ( 0.2638889 -0.0000000 0.3500706), wk = 0.0025253 k( 193) = ( 0.2777778 -0.0000000 0.3500706), wk = 0.0025253 k( 194) = ( 0.2916667 -0.0000000 0.3500706), wk = 0.0025253 k( 195) = ( 0.3055556 -0.0000000 0.3500706), wk = 0.0025253 k( 196) = ( 0.3194444 -0.0000000 0.3500706), wk = 0.0025253 k( 197) = ( 0.3333333 -0.0000000 0.3500706), wk = 0.0025253 k( 198) = ( 0.3472222 -0.0000000 0.3500706), wk = 0.0025253 k( 199) = ( 0.3611111 -0.0000000 0.3500706), wk = 0.0025253 k( 200) = ( 0.3750000 -0.0000000 0.3500706), wk = 0.0025253 k( 201) = ( 0.3888889 -0.0000000 0.3500706), wk = 0.0025253 k( 202) = ( 0.4027778 -0.0000000 0.3500706), wk = 0.0025253 k( 203) = ( 0.4166667 -0.0000000 0.3500706), wk = 0.0025253 k( 204) = ( 0.4305556 -0.0000000 0.3500706), wk = 0.0025253 k( 205) = ( 0.4444444 -0.0000000 0.3500706), wk = 0.0025253 k( 206) = ( 0.4583333 -0.0000000 0.3500706), wk = 0.0025253 k( 207) = ( 0.4722222 -0.0000000 0.3500706), wk = 0.0025253 k( 208) = ( 0.4861111 -0.0000000 0.3500706), wk = 0.0025253 k( 209) = ( 0.5000000 -0.0000000 0.3500706), wk = 0.0025253 k( 210) = ( 0.5000000 -0.0000000 0.3500706), wk = 0.0025253 k( 211) = ( 0.5000000 0.0138898 0.3500706), wk = 0.0025253 k( 212) = ( 0.5000000 0.0277797 0.3500706), wk = 0.0025253 k( 213) = ( 0.5000000 0.0416695 0.3500706), wk = 0.0025253 k( 214) = ( 0.5000000 0.0555594 0.3500706), wk = 0.0025253 k( 215) = ( 0.5000000 0.0694492 0.3500706), wk = 0.0025253 k( 216) = ( 0.5000000 0.0833391 0.3500706), wk = 0.0025253 k( 217) = ( 0.5000000 0.0972289 0.3500706), wk = 0.0025253 k( 218) = ( 0.5000000 0.1111187 0.3500706), wk = 0.0025253 k( 219) = ( 0.5000000 0.1250086 0.3500706), wk = 0.0025253 k( 220) = ( 0.5000000 0.1388984 0.3500706), wk = 0.0025253 k( 221) = ( 0.5000000 0.1527883 0.3500706), wk = 0.0025253 k( 222) = ( 0.5000000 0.1666781 0.3500706), wk = 0.0025253 k( 223) = ( 0.5000000 0.1805680 0.3500706), wk = 0.0025253 k( 224) = ( 0.5000000 0.1944578 0.3500706), wk = 0.0025253 k( 225) = ( 0.5000000 0.2083476 0.3500706), wk = 0.0025253 k( 226) = ( 0.5000000 0.2222375 0.3500706), wk = 0.0025253 k( 227) = ( 0.5000000 0.2361273 0.3500706), wk = 0.0025253 k( 228) = ( 0.5000000 0.2500172 0.3500706), wk = 0.0025253 k( 229) = ( 0.5000000 0.2639070 0.3500706), wk = 0.0025253 k( 230) = ( 0.5000000 0.2777969 0.3500706), wk = 0.0025253 k( 231) = ( 0.5000000 0.2916867 0.3500706), wk = 0.0025253 k( 232) = ( 0.5000000 0.3055765 0.3500706), wk = 0.0025253 k( 233) = ( 0.5000000 0.3194664 0.3500706), wk = 0.0025253 k( 234) = ( 0.5000000 0.3333562 0.3500706), wk = 0.0025253 k( 235) = ( 0.5000000 0.3472461 0.3500706), wk = 0.0025253 k( 236) = ( 0.5000000 0.3611359 0.3500706), wk = 0.0025253 k( 237) = ( 0.5000000 0.3750258 0.3500706), wk = 0.0025253 k( 238) = ( 0.5000000 0.3889156 0.3500706), wk = 0.0025253 k( 239) = ( 0.5000000 0.4028054 0.3500706), wk = 0.0025253 k( 240) = ( 0.5000000 0.4166953 0.3500706), wk = 0.0025253 k( 241) = ( 0.5000000 0.4305851 0.3500706), wk = 0.0025253 k( 242) = ( 0.5000000 0.4444750 0.3500706), wk = 0.0025253 k( 243) = ( 0.5000000 0.4583648 0.3500706), wk = 0.0025253 k( 244) = ( 0.5000000 0.4722546 0.3500706), wk = 0.0025253 k( 245) = ( 0.5000000 0.4861445 0.3500706), wk = 0.0025253 k( 246) = ( 0.5000000 0.4861445 0.3500706), wk = 0.0025253 k( 247) = ( 0.4861111 0.4861445 0.3500706), wk = 0.0025253 k( 248) = ( 0.4722222 0.4861445 0.3500706), wk = 0.0025253 k( 249) = ( 0.4583333 0.4861445 0.3500706), wk = 0.0025253 k( 250) = ( 0.4444444 0.4861445 0.3500706), wk = 0.0025253 k( 251) = ( 0.4305556 0.4861445 0.3500706), wk = 0.0025253 k( 252) = ( 0.4166667 0.4861445 0.3500706), wk = 0.0025253 k( 253) = ( 0.4027778 0.4861445 0.3500706), wk = 0.0025253 k( 254) = ( 0.3888889 0.4861445 0.3500706), wk = 0.0025253 k( 255) = ( 0.3750000 0.4861445 0.3500706), wk = 0.0025253 k( 256) = ( 0.3611111 0.4861445 0.3500706), wk = 0.0025253 k( 257) = ( 0.3472222 0.4861445 0.3500706), wk = 0.0025253 k( 258) = ( 0.3333333 0.4861445 0.3500706), wk = 0.0025253 k( 259) = ( 0.3194444 0.4861445 0.3500706), wk = 0.0025253 k( 260) = ( 0.3055556 0.4861445 0.3500706), wk = 0.0025253 k( 261) = ( 0.2916667 0.4861445 0.3500706), wk = 0.0025253 k( 262) = ( 0.2777778 0.4861445 0.3500706), wk = 0.0025253 k( 263) = ( 0.2638889 0.4861445 0.3500706), wk = 0.0025253 k( 264) = ( 0.2500000 0.4861445 0.3500706), wk = 0.0025253 k( 265) = ( 0.2361111 0.4861445 0.3500706), wk = 0.0025253 k( 266) = ( 0.2222222 0.4861445 0.3500706), wk = 0.0025253 k( 267) = ( 0.2083333 0.4861445 0.3500706), wk = 0.0025253 k( 268) = ( 0.1944444 0.4861445 0.3500706), wk = 0.0025253 k( 269) = ( 0.1805556 0.4861445 0.3500706), wk = 0.0025253 k( 270) = ( 0.1666667 0.4861445 0.3500706), wk = 0.0025253 k( 271) = ( 0.1527778 0.4861445 0.3500706), wk = 0.0025253 k( 272) = ( 0.1388889 0.4861445 0.3500706), wk = 0.0025253 k( 273) = ( 0.1250000 0.4861445 0.3500706), wk = 0.0025253 k( 274) = ( 0.1111111 0.4861445 0.3500706), wk = 0.0025253 k( 275) = ( 0.0972222 0.4861445 0.3500706), wk = 0.0025253 k( 276) = ( 0.0833333 0.4861445 0.3500706), wk = 0.0025253 k( 277) = ( 0.0694444 0.4861445 0.3500706), wk = 0.0025253 k( 278) = ( 0.0555556 0.4861445 0.3500706), wk = 0.0025253 k( 279) = ( 0.0416667 0.4861445 0.3500706), wk = 0.0025253 k( 280) = ( 0.0277778 0.4861445 0.3500706), wk = 0.0025253 k( 281) = ( 0.0138889 0.4861445 0.3500706), wk = 0.0025253 k( 282) = ( 0.0000000 0.4861445 0.3500706), wk = 0.0025253 k( 283) = ( 0.0000000 0.4861445 0.3500706), wk = 0.0025253 k( 284) = ( 0.0000000 0.4722546 0.3500706), wk = 0.0025253 k( 285) = ( 0.0000000 0.4583648 0.3500706), wk = 0.0025253 k( 286) = ( 0.0000000 0.4444750 0.3500706), wk = 0.0025253 k( 287) = ( 0.0000000 0.4305851 0.3500706), wk = 0.0025253 k( 288) = ( 0.0000000 0.4166953 0.3500706), wk = 0.0025253 k( 289) = ( 0.0000000 0.4028054 0.3500706), wk = 0.0025253 k( 290) = ( 0.0000000 0.3889156 0.3500706), wk = 0.0025253 k( 291) = ( 0.0000000 0.3750258 0.3500706), wk = 0.0025253 k( 292) = ( 0.0000000 0.3611359 0.3500706), wk = 0.0025253 k( 293) = ( 0.0000000 0.3472461 0.3500706), wk = 0.0025253 k( 294) = ( 0.0000000 0.3333562 0.3500706), wk = 0.0025253 k( 295) = ( 0.0000000 0.3194664 0.3500706), wk = 0.0025253 k( 296) = ( 0.0000000 0.3055765 0.3500706), wk = 0.0025253 k( 297) = ( 0.0000000 0.2916867 0.3500706), wk = 0.0025253 k( 298) = ( 0.0000000 0.2777969 0.3500706), wk = 0.0025253 k( 299) = ( 0.0000000 0.2639070 0.3500706), wk = 0.0025253 k( 300) = ( 0.0000000 0.2500172 0.3500706), wk = 0.0025253 k( 301) = ( 0.0000000 0.2361273 0.3500706), wk = 0.0025253 k( 302) = ( 0.0000000 0.2222375 0.3500706), wk = 0.0025253 k( 303) = ( 0.0000000 0.2083476 0.3500706), wk = 0.0025253 k( 304) = ( 0.0000000 0.1944578 0.3500706), wk = 0.0025253 k( 305) = ( 0.0000000 0.1805680 0.3500706), wk = 0.0025253 k( 306) = ( 0.0000000 0.1666781 0.3500706), wk = 0.0025253 k( 307) = ( 0.0000000 0.1527883 0.3500706), wk = 0.0025253 k( 308) = ( 0.0000000 0.1388984 0.3500706), wk = 0.0025253 k( 309) = ( 0.0000000 0.1250086 0.3500706), wk = 0.0025253 k( 310) = ( 0.0000000 0.1111187 0.3500706), wk = 0.0025253 k( 311) = ( 0.0000000 0.0972289 0.3500706), wk = 0.0025253 k( 312) = ( 0.0000000 0.0833391 0.3500706), wk = 0.0025253 k( 313) = ( 0.0000000 0.0694492 0.3500706), wk = 0.0025253 k( 314) = ( 0.0000000 0.0555594 0.3500706), wk = 0.0025253 k( 315) = ( 0.0000000 0.0416695 0.3500706), wk = 0.0025253 k( 316) = ( 0.0000000 0.0277797 0.3500706), wk = 0.0025253 k( 317) = ( 0.0000000 0.0138898 0.3500706), wk = 0.0025253 k( 318) = ( 0.0000000 0.0000000 0.3500706), wk = 0.0025253 k( 319) = ( 0.0000000 0.4861445 -0.0000000), wk = 0.0025253 k( 320) = ( 0.0000000 0.4861445 0.0140028), wk = 0.0025253 k( 321) = ( 0.0000000 0.4861445 0.0280057), wk = 0.0025253 k( 322) = ( 0.0000000 0.4861445 0.0420085), wk = 0.0025253 k( 323) = ( 0.0000000 0.4861445 0.0560113), wk = 0.0025253 k( 324) = ( 0.0000000 0.4861445 0.0700141), wk = 0.0025253 k( 325) = ( 0.0000000 0.4861445 0.0840170), wk = 0.0025253 k( 326) = ( 0.0000000 0.4861445 0.0980198), wk = 0.0025253 k( 327) = ( 0.0000000 0.4861445 0.1120226), wk = 0.0025253 k( 328) = ( 0.0000000 0.4861445 0.1260254), wk = 0.0025253 k( 329) = ( 0.0000000 0.4861445 0.1400283), wk = 0.0025253 k( 330) = ( 0.0000000 0.4861445 0.1540311), wk = 0.0025253 k( 331) = ( 0.0000000 0.4861445 0.1680339), wk = 0.0025253 k( 332) = ( 0.0000000 0.4861445 0.1820367), wk = 0.0025253 k( 333) = ( 0.0000000 0.4861445 0.1960396), wk = 0.0025253 k( 334) = ( 0.0000000 0.4861445 0.2100424), wk = 0.0025253 k( 335) = ( 0.0000000 0.4861445 0.2240452), wk = 0.0025253 k( 336) = ( 0.0000000 0.4861445 0.2380480), wk = 0.0025253 k( 337) = ( 0.0000000 0.4861445 0.2520509), wk = 0.0025253 k( 338) = ( 0.0000000 0.4861445 0.2660537), wk = 0.0025253 k( 339) = ( 0.0000000 0.4861445 0.2800565), wk = 0.0025253 k( 340) = ( 0.0000000 0.4861445 0.2940593), wk = 0.0025253 k( 341) = ( 0.0000000 0.4861445 0.3080622), wk = 0.0025253 k( 342) = ( 0.0000000 0.4861445 0.3220650), wk = 0.0025253 k( 343) = ( 0.0000000 0.4861445 0.3360678), wk = 0.0025253 k( 344) = ( 0.0000000 0.4861445 0.3500706), wk = 0.0025253 k( 345) = ( 0.5000000 -0.0000000 0.3500706), wk = 0.0025253 k( 346) = ( 0.5000000 -0.0000000 0.3360678), wk = 0.0025253 k( 347) = ( 0.5000000 -0.0000000 0.3220650), wk = 0.0025253 k( 348) = ( 0.5000000 -0.0000000 0.3080622), wk = 0.0025253 k( 349) = ( 0.5000000 -0.0000000 0.2940593), wk = 0.0025253 k( 350) = ( 0.5000000 -0.0000000 0.2800565), wk = 0.0025253 k( 351) = ( 0.5000000 -0.0000000 0.2660537), wk = 0.0025253 k( 352) = ( 0.5000000 -0.0000000 0.2520509), wk = 0.0025253 k( 353) = ( 0.5000000 -0.0000000 0.2380480), wk = 0.0025253 k( 354) = ( 0.5000000 -0.0000000 0.2240452), wk = 0.0025253 k( 355) = ( 0.5000000 -0.0000000 0.2100424), wk = 0.0025253 k( 356) = ( 0.5000000 -0.0000000 0.1960396), wk = 0.0025253 k( 357) = ( 0.5000000 -0.0000000 0.1820367), wk = 0.0025253 k( 358) = ( 0.5000000 -0.0000000 0.1680339), wk = 0.0025253 k( 359) = ( 0.5000000 -0.0000000 0.1540311), wk = 0.0025253 k( 360) = ( 0.5000000 -0.0000000 0.1400283), wk = 0.0025253 k( 361) = ( 0.5000000 -0.0000000 0.1260254), wk = 0.0025253 k( 362) = ( 0.5000000 -0.0000000 0.1120226), wk = 0.0025253 k( 363) = ( 0.5000000 -0.0000000 0.0980198), wk = 0.0025253 k( 364) = ( 0.5000000 -0.0000000 0.0840170), wk = 0.0025253 k( 365) = ( 0.5000000 -0.0000000 0.0700141), wk = 0.0025253 k( 366) = ( 0.5000000 -0.0000000 0.0560113), wk = 0.0025253 k( 367) = ( 0.5000000 -0.0000000 0.0420085), wk = 0.0025253 k( 368) = ( 0.5000000 -0.0000000 0.0280057), wk = 0.0025253 k( 369) = ( 0.5000000 -0.0000000 0.0140028), wk = 0.0025253 k( 370) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025253 k( 371) = ( 0.5000000 0.4861445 -0.0000000), wk = 0.0025253 k( 372) = ( 0.5000000 0.4861445 0.0140028), wk = 0.0025253 k( 373) = ( 0.5000000 0.4861445 0.0280057), wk = 0.0025253 k( 374) = ( 0.5000000 0.4861445 0.0420085), wk = 0.0025253 k( 375) = ( 0.5000000 0.4861445 0.0560113), wk = 0.0025253 k( 376) = ( 0.5000000 0.4861445 0.0700141), wk = 0.0025253 k( 377) = ( 0.5000000 0.4861445 0.0840170), wk = 0.0025253 k( 378) = ( 0.5000000 0.4861445 0.0980198), wk = 0.0025253 k( 379) = ( 0.5000000 0.4861445 0.1120226), wk = 0.0025253 k( 380) = ( 0.5000000 0.4861445 0.1260254), wk = 0.0025253 k( 381) = ( 0.5000000 0.4861445 0.1400283), wk = 0.0025253 k( 382) = ( 0.5000000 0.4861445 0.1540311), wk = 0.0025253 k( 383) = ( 0.5000000 0.4861445 0.1680339), wk = 0.0025253 k( 384) = ( 0.5000000 0.4861445 0.1820367), wk = 0.0025253 k( 385) = ( 0.5000000 0.4861445 0.1960396), wk = 0.0025253 k( 386) = ( 0.5000000 0.4861445 0.2100424), wk = 0.0025253 k( 387) = ( 0.5000000 0.4861445 0.2240452), wk = 0.0025253 k( 388) = ( 0.5000000 0.4861445 0.2380480), wk = 0.0025253 k( 389) = ( 0.5000000 0.4861445 0.2520509), wk = 0.0025253 k( 390) = ( 0.5000000 0.4861445 0.2660537), wk = 0.0025253 k( 391) = ( 0.5000000 0.4861445 0.2800565), wk = 0.0025253 k( 392) = ( 0.5000000 0.4861445 0.2940593), wk = 0.0025253 k( 393) = ( 0.5000000 0.4861445 0.3080622), wk = 0.0025253 k( 394) = ( 0.5000000 0.4861445 0.3220650), wk = 0.0025253 k( 395) = ( 0.5000000 0.4861445 0.3360678), wk = 0.0025253 k( 396) = ( 0.5000000 0.4861445 0.3500706), wk = 0.0025253 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0025253 k( 3) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0025253 k( 4) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0025253 k( 5) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0025253 k( 6) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0025253 k( 7) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0025253 k( 8) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0025253 k( 9) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0025253 k( 10) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0025253 k( 11) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0025253 k( 12) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0025253 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0025253 k( 14) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0025253 k( 15) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0025253 k( 16) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0025253 k( 17) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0025253 k( 18) = ( 0.2361111 -0.0000000 0.0000000), wk = 0.0025253 k( 19) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025253 k( 20) = ( 0.2638889 -0.0000000 0.0000000), wk = 0.0025253 k( 21) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0025253 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0025253 k( 23) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0025253 k( 24) = ( 0.3194444 -0.0000000 0.0000000), wk = 0.0025253 k( 25) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0025253 k( 26) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0025253 k( 27) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0025253 k( 28) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025253 k( 29) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0025253 k( 30) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0025253 k( 31) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0025253 k( 32) = ( 0.4305556 0.0000000 0.0000000), wk = 0.0025253 k( 33) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0025253 k( 34) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0025253 k( 35) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0025253 k( 36) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0025253 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 39) = ( 0.5000000 0.0142857 0.0000000), wk = 0.0025253 k( 40) = ( 0.5000000 0.0285714 0.0000000), wk = 0.0025253 k( 41) = ( 0.5000000 0.0428571 0.0000000), wk = 0.0025253 k( 42) = ( 0.5000000 0.0571429 0.0000000), wk = 0.0025253 k( 43) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0025253 k( 44) = ( 0.5000000 0.0857143 0.0000000), wk = 0.0025253 k( 45) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0025253 k( 46) = ( 0.5000000 0.1142857 0.0000000), wk = 0.0025253 k( 47) = ( 0.5000000 0.1285714 0.0000000), wk = 0.0025253 k( 48) = ( 0.5000000 0.1428571 -0.0000000), wk = 0.0025253 k( 49) = ( 0.5000000 0.1571429 0.0000000), wk = 0.0025253 k( 50) = ( 0.5000000 0.1714286 0.0000000), wk = 0.0025253 k( 51) = ( 0.5000000 0.1857143 0.0000000), wk = 0.0025253 k( 52) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0025253 k( 53) = ( 0.5000000 0.2142857 -0.0000000), wk = 0.0025253 k( 54) = ( 0.5000000 0.2285714 0.0000000), wk = 0.0025253 k( 55) = ( 0.5000000 0.2428571 0.0000000), wk = 0.0025253 k( 56) = ( 0.5000000 0.2571429 0.0000000), wk = 0.0025253 k( 57) = ( 0.5000000 0.2714286 -0.0000000), wk = 0.0025253 k( 58) = ( 0.5000000 0.2857143 -0.0000000), wk = 0.0025253 k( 59) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0025253 k( 60) = ( 0.5000000 0.3142857 0.0000000), wk = 0.0025253 k( 61) = ( 0.5000000 0.3285714 0.0000000), wk = 0.0025253 k( 62) = ( 0.5000000 0.3428571 0.0000000), wk = 0.0025253 k( 63) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0025253 k( 64) = ( 0.5000000 0.3714286 0.0000000), wk = 0.0025253 k( 65) = ( 0.5000000 0.3857143 0.0000000), wk = 0.0025253 k( 66) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0025253 k( 67) = ( 0.5000000 0.4142857 0.0000000), wk = 0.0025253 k( 68) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0025253 k( 69) = ( 0.5000000 0.4428571 0.0000000), wk = 0.0025253 k( 70) = ( 0.5000000 0.4571429 0.0000000), wk = 0.0025253 k( 71) = ( 0.5000000 0.4714286 0.0000000), wk = 0.0025253 k( 72) = ( 0.5000000 0.4857143 0.0000000), wk = 0.0025253 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 75) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0025253 k( 76) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0025253 k( 77) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0025253 k( 78) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0025253 k( 79) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0025253 k( 80) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0025253 k( 81) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0025253 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0025253 k( 83) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025253 k( 84) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0025253 k( 85) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0025253 k( 86) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025253 k( 87) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0025253 k( 88) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0025253 k( 89) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0025253 k( 90) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0025253 k( 91) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0025253 k( 92) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025253 k( 93) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0025253 k( 94) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0025253 k( 95) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0025253 k( 96) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0025253 k( 97) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0025253 k( 98) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0025253 k( 99) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0025253 k( 100) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0025253 k( 101) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0025253 k( 102) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0025253 k( 103) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0025253 k( 104) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0025253 k( 105) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0025253 k( 106) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0025253 k( 107) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0025253 k( 108) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0025253 k( 109) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0025253 k( 110) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025253 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025253 k( 112) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0025253 k( 113) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0025253 k( 114) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0025253 k( 115) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0025253 k( 116) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0025253 k( 117) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0025253 k( 118) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0025253 k( 119) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0025253 k( 120) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0025253 k( 121) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0025253 k( 122) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0025253 k( 123) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0025253 k( 124) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0025253 k( 125) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025253 k( 126) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0025253 k( 127) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0025253 k( 128) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0025253 k( 129) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0025253 k( 130) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0025253 k( 131) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0025253 k( 132) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0025253 k( 133) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0025253 k( 134) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0025253 k( 135) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0025253 k( 136) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0025253 k( 137) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0025253 k( 138) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0025253 k( 139) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0025253 k( 140) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0025253 k( 141) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0025253 k( 142) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0025253 k( 143) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0025253 k( 144) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0025253 k( 145) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0025253 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 148) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025253 k( 149) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025253 k( 150) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025253 k( 151) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025253 k( 152) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025253 k( 153) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025253 k( 154) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025253 k( 155) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025253 k( 156) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025253 k( 157) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025253 k( 158) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025253 k( 159) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025253 k( 160) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025253 k( 161) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025253 k( 162) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025253 k( 163) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025253 k( 164) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025253 k( 165) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025253 k( 166) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025253 k( 167) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025253 k( 168) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025253 k( 169) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025253 k( 170) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025253 k( 171) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025253 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 174) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0025253 k( 175) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0025253 k( 176) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0025253 k( 177) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0025253 k( 178) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0025253 k( 179) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0025253 k( 180) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0025253 k( 181) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0025253 k( 182) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0025253 k( 183) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0025253 k( 184) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0025253 k( 185) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0025253 k( 186) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0025253 k( 187) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0025253 k( 188) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0025253 k( 189) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0025253 k( 190) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0025253 k( 191) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025253 k( 192) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0025253 k( 193) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0025253 k( 194) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0025253 k( 195) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0025253 k( 196) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0025253 k( 197) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0025253 k( 198) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0025253 k( 199) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0025253 k( 200) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0025253 k( 201) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0025253 k( 202) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0025253 k( 203) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0025253 k( 204) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0025253 k( 205) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0025253 k( 206) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0025253 k( 207) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0025253 k( 208) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0025253 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 211) = ( 0.5000000 0.0142857 0.5000000), wk = 0.0025253 k( 212) = ( 0.5000000 0.0285714 0.5000000), wk = 0.0025253 k( 213) = ( 0.5000000 0.0428571 0.5000000), wk = 0.0025253 k( 214) = ( 0.5000000 0.0571429 0.5000000), wk = 0.0025253 k( 215) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0025253 k( 216) = ( 0.5000000 0.0857143 0.5000000), wk = 0.0025253 k( 217) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0025253 k( 218) = ( 0.5000000 0.1142857 0.5000000), wk = 0.0025253 k( 219) = ( 0.5000000 0.1285714 0.5000000), wk = 0.0025253 k( 220) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0025253 k( 221) = ( 0.5000000 0.1571429 0.5000000), wk = 0.0025253 k( 222) = ( 0.5000000 0.1714286 0.5000000), wk = 0.0025253 k( 223) = ( 0.5000000 0.1857143 0.5000000), wk = 0.0025253 k( 224) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0025253 k( 225) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0025253 k( 226) = ( 0.5000000 0.2285714 0.5000000), wk = 0.0025253 k( 227) = ( 0.5000000 0.2428571 0.5000000), wk = 0.0025253 k( 228) = ( 0.5000000 0.2571429 0.5000000), wk = 0.0025253 k( 229) = ( 0.5000000 0.2714286 0.5000000), wk = 0.0025253 k( 230) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0025253 k( 231) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0025253 k( 232) = ( 0.5000000 0.3142857 0.5000000), wk = 0.0025253 k( 233) = ( 0.5000000 0.3285714 0.5000000), wk = 0.0025253 k( 234) = ( 0.5000000 0.3428571 0.5000000), wk = 0.0025253 k( 235) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0025253 k( 236) = ( 0.5000000 0.3714286 0.5000000), wk = 0.0025253 k( 237) = ( 0.5000000 0.3857143 0.5000000), wk = 0.0025253 k( 238) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0025253 k( 239) = ( 0.5000000 0.4142857 0.5000000), wk = 0.0025253 k( 240) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0025253 k( 241) = ( 0.5000000 0.4428571 0.5000000), wk = 0.0025253 k( 242) = ( 0.5000000 0.4571429 0.5000000), wk = 0.0025253 k( 243) = ( 0.5000000 0.4714286 0.5000000), wk = 0.0025253 k( 244) = ( 0.5000000 0.4857143 0.5000000), wk = 0.0025253 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 247) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0025253 k( 248) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0025253 k( 249) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0025253 k( 250) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0025253 k( 251) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0025253 k( 252) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0025253 k( 253) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0025253 k( 254) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0025253 k( 255) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025253 k( 256) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0025253 k( 257) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0025253 k( 258) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025253 k( 259) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0025253 k( 260) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0025253 k( 261) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0025253 k( 262) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0025253 k( 263) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0025253 k( 264) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025253 k( 265) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0025253 k( 266) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0025253 k( 267) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0025253 k( 268) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0025253 k( 269) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0025253 k( 270) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025253 k( 271) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0025253 k( 272) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0025253 k( 273) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025253 k( 274) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0025253 k( 275) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0025253 k( 276) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0025253 k( 277) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0025253 k( 278) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0025253 k( 279) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0025253 k( 280) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0025253 k( 281) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0025253 k( 282) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 283) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 284) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0025253 k( 285) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0025253 k( 286) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0025253 k( 287) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0025253 k( 288) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0025253 k( 289) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0025253 k( 290) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025253 k( 291) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0025253 k( 292) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0025253 k( 293) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0025253 k( 294) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0025253 k( 295) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0025253 k( 296) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0025253 k( 297) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025253 k( 298) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0025253 k( 299) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0025253 k( 300) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0025253 k( 301) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0025253 k( 302) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0025253 k( 303) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0025253 k( 304) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025253 k( 305) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0025253 k( 306) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0025253 k( 307) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0025253 k( 308) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0025253 k( 309) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0025253 k( 310) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0025253 k( 311) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025253 k( 312) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0025253 k( 313) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0025253 k( 314) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0025253 k( 315) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0025253 k( 316) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0025253 k( 317) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0025253 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 319) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025253 k( 320) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0025253 k( 321) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0025253 k( 322) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0025253 k( 323) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0025253 k( 324) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025253 k( 325) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0025253 k( 326) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0025253 k( 327) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0025253 k( 328) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0025253 k( 329) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025253 k( 330) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0025253 k( 331) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0025253 k( 332) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0025253 k( 333) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0025253 k( 334) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025253 k( 335) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0025253 k( 336) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0025253 k( 337) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0025253 k( 338) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0025253 k( 339) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025253 k( 340) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0025253 k( 341) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0025253 k( 342) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0025253 k( 343) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0025253 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 345) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025253 k( 346) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0025253 k( 347) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0025253 k( 348) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0025253 k( 349) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0025253 k( 350) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025253 k( 351) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0025253 k( 352) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0025253 k( 353) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0025253 k( 354) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0025253 k( 355) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025253 k( 356) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0025253 k( 357) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0025253 k( 358) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0025253 k( 359) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0025253 k( 360) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025253 k( 361) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0025253 k( 362) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0025253 k( 363) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0025253 k( 364) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0025253 k( 365) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025253 k( 366) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0025253 k( 367) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0025253 k( 368) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0025253 k( 369) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0025253 k( 370) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025253 k( 371) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025253 k( 372) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0025253 k( 373) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0025253 k( 374) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0025253 k( 375) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0025253 k( 376) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025253 k( 377) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0025253 k( 378) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0025253 k( 379) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0025253 k( 380) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0025253 k( 381) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025253 k( 382) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0025253 k( 383) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0025253 k( 384) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0025253 k( 385) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0025253 k( 386) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025253 k( 387) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0025253 k( 388) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0025253 k( 389) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0025253 k( 390) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0025253 k( 391) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025253 k( 392) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0025253 k( 393) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0025253 k( 394) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0025253 k( 395) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0025253 k( 396) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025253 Dense grid: 369105 G-vectors FFT dimensions: ( 80, 81, 120) Smooth grid: 120179 G-vectors FFT dimensions: ( 54, 60, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 850, 48) NL pseudopotentials 0.88 Mb ( 425, 136) Each V/rho on FFT grid 0.40 Mb ( 25920) Each G-vector array 0.08 Mb ( 10254) G-vector shells 0.04 Mb ( 5063) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.49 Mb ( 850, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./LiBeH3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.4 secs Computing kpt #: 13 total cpu time spent up to now is 13.3 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 15.1 secs Computing kpt #: 16 total cpu time spent up to now is 16.0 secs Computing kpt #: 17 total cpu time spent up to now is 16.9 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.7 secs Computing kpt #: 20 total cpu time spent up to now is 19.7 secs Computing kpt #: 21 total cpu time spent up to now is 20.6 secs Computing kpt #: 22 total cpu time spent up to now is 21.7 secs Computing kpt #: 23 total cpu time spent up to now is 22.8 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 25.0 secs Computing kpt #: 26 total cpu time spent up to now is 26.1 secs Computing kpt #: 27 total cpu time spent up to now is 27.2 secs Computing kpt #: 28 total cpu time spent up to now is 28.3 secs Computing kpt #: 29 total cpu time spent up to now is 29.4 secs Computing kpt #: 30 total cpu time spent up to now is 30.5 secs Computing kpt #: 31 total cpu time spent up to now is 31.5 secs Computing kpt #: 32 total cpu time spent up to now is 32.7 secs Computing kpt #: 33 total cpu time spent up to now is 34.3 secs Computing kpt #: 34 total cpu time spent up to now is 35.6 secs Computing kpt #: 35 total cpu time spent up to now is 36.7 secs Computing kpt #: 36 total cpu time spent up to now is 37.8 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.3 secs Computing kpt #: 39 total cpu time spent up to now is 41.5 secs Computing kpt #: 40 total cpu time spent up to now is 42.6 secs Computing kpt #: 41 total cpu time spent up to now is 43.7 secs Computing kpt #: 42 total cpu time spent up to now is 44.8 secs Computing kpt #: 43 total cpu time spent up to now is 45.9 secs Computing kpt #: 44 total cpu time spent up to now is 47.0 secs Computing kpt #: 45 total cpu time spent up to now is 48.1 secs Computing kpt #: 46 total cpu time spent up to now is 49.2 secs Computing kpt #: 47 total cpu time spent up to now is 50.3 secs Computing kpt #: 48 total cpu time spent up to now is 51.3 secs Computing kpt #: 49 total cpu time spent up to now is 52.2 secs Computing kpt #: 50 total cpu time spent up to now is 53.2 secs Computing kpt #: 51 total cpu time spent up to now is 54.2 secs Computing kpt #: 52 total cpu time spent up to now is 55.2 secs Computing kpt #: 53 total cpu time spent up to now is 56.1 secs Computing kpt #: 54 total cpu time spent up to now is 57.1 secs Computing kpt #: 55 total cpu time spent up to now is 58.1 secs Computing kpt #: 56 total cpu time spent up to now is 59.3 secs Computing kpt #: 57 total cpu time spent up to now is 60.2 secs Computing kpt #: 58 total cpu time spent up to now is 61.2 secs Computing kpt #: 59 total cpu time spent up to now is 62.2 secs Computing kpt #: 60 total cpu time spent up to now is 63.1 secs Computing kpt #: 61 total cpu time spent up to now is 64.1 secs Computing kpt #: 62 total cpu time spent up to now is 65.0 secs Computing kpt #: 63 total cpu time spent up to now is 65.9 secs Computing kpt #: 64 total cpu time spent up to now is 66.8 secs Computing kpt #: 65 total cpu time spent up to now is 67.8 secs Computing kpt #: 66 total cpu time spent up to now is 68.7 secs Computing kpt #: 67 total cpu time spent up to now is 69.7 secs Computing kpt #: 68 total cpu time spent up to now is 70.6 secs Computing kpt #: 69 total cpu time spent up to now is 71.6 secs Computing kpt #: 70 total cpu time spent up to now is 72.6 secs Computing kpt #: 71 total cpu time spent up to now is 73.6 secs Computing kpt #: 72 total cpu time spent up to now is 74.5 secs Computing kpt #: 73 total cpu time spent up to now is 75.4 secs Computing kpt #: 74 total cpu time spent up to now is 76.3 secs Computing kpt #: 75 total cpu time spent up to now is 77.2 secs Computing kpt #: 76 total cpu time spent up to now is 78.2 secs Computing kpt #: 77 total cpu time spent up to now is 79.2 secs Computing kpt #: 78 total cpu time spent up to now is 80.1 secs Computing kpt #: 79 total cpu time spent up to now is 81.1 secs Computing kpt #: 80 total cpu time spent up to now is 82.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.0 secs Computing kpt #: 82 total cpu time spent up to now is 83.9 secs Computing kpt #: 83 total cpu time spent up to now is 84.8 secs Computing kpt #: 84 total cpu time spent up to now is 85.8 secs Computing kpt #: 85 total cpu time spent up to now is 86.7 secs Computing kpt #: 86 total cpu time spent up to now is 87.6 secs Computing kpt #: 87 total cpu time spent up to now is 88.5 secs Computing kpt #: 88 total cpu time spent up to now is 89.5 secs Computing kpt #: 89 total cpu time spent up to now is 90.4 secs Computing kpt #: 90 total cpu time spent up to now is 91.3 secs Computing kpt #: 91 total cpu time spent up to now is 92.3 secs Computing kpt #: 92 total cpu time spent up to now is 93.2 secs Computing kpt #: 93 total cpu time spent up to now is 94.1 secs Computing kpt #: 94 total cpu time spent up to now is 95.0 secs Computing kpt #: 95 total cpu time spent up to now is 95.9 secs Computing kpt #: 96 total cpu time spent up to now is 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Computing kpt #: 112 total cpu time spent up to now is 111.8 secs Computing kpt #: 113 total cpu time spent up to now is 112.8 secs Computing kpt #: 114 total cpu time spent up to now is 113.9 secs Computing kpt #: 115 total cpu time spent up to now is 114.9 secs Computing kpt #: 116 total cpu time spent up to now is 116.0 secs Computing kpt #: 117 total cpu time spent up to now is 117.1 secs Computing kpt #: 118 total cpu time spent up to now is 118.2 secs Computing kpt #: 119 total cpu time spent up to now is 119.3 secs Computing kpt #: 120 total cpu time spent up to now is 120.4 secs Computing kpt #: 121 total cpu time spent up to now is 121.5 secs Computing kpt #: 122 total cpu time spent up to now is 122.6 secs Computing kpt #: 123 total cpu time spent up to now is 123.7 secs Computing kpt #: 124 total cpu time spent up to now is 124.8 secs Computing kpt #: 125 total cpu time spent up to now is 125.8 secs Computing kpt #: 126 total cpu time spent up to now is 126.7 secs Computing kpt #: 127 total cpu time spent up to now is 127.7 secs Computing kpt #: 128 total cpu time spent up to now is 128.6 secs Computing kpt #: 129 total cpu time spent up to now is 129.5 secs Computing kpt #: 130 total cpu time spent up to now is 130.3 secs Computing kpt #: 131 total cpu time spent up to now is 131.2 secs Computing kpt #: 132 total cpu time spent up to now is 132.1 secs Computing kpt #: 133 total cpu time spent up to now is 133.0 secs Computing kpt #: 134 total cpu time spent up to now is 133.9 secs Computing kpt #: 135 total cpu time spent up to now is 134.8 secs Computing kpt #: 136 total cpu time spent up to now is 135.7 secs Computing kpt #: 137 total cpu time spent up to now is 136.6 secs Computing kpt #: 138 total cpu time spent up to now is 137.5 secs Computing kpt #: 139 total cpu time spent up to now is 138.4 secs Computing kpt #: 140 total cpu time spent up to now is 139.3 secs Computing kpt #: 141 total cpu time spent up to now is 140.2 secs Computing kpt #: 142 total cpu time spent up to now is 141.1 secs Computing kpt #: 143 total cpu time spent up to now is 142.0 secs Computing kpt #: 144 total cpu time spent up to now is 142.8 secs Computing kpt #: 145 total cpu time spent up to now is 143.7 secs Computing kpt #: 146 total cpu time spent up to now is 144.5 secs Computing kpt #: 147 total cpu time spent up to now is 145.4 secs Computing kpt #: 148 total cpu time spent up to now is 146.2 secs Computing kpt #: 149 total cpu time spent up to now is 147.1 secs Computing kpt #: 150 total cpu time spent up to now is 148.0 secs Computing kpt #: 151 total cpu time spent up to now is 148.8 secs Computing kpt #: 152 total cpu time spent up to now is 149.7 secs Computing kpt #: 153 total cpu time spent up to now is 150.6 secs Computing kpt #: 154 total cpu time spent up to now is 151.4 secs Computing kpt #: 155 total cpu time spent up to now is 152.3 secs Computing kpt #: 156 total cpu time spent up to now is 153.2 secs Computing kpt #: 157 total cpu 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up to now is 170.3 secs Computing kpt #: 173 total cpu time spent up to now is 171.4 secs Computing kpt #: 174 total cpu time spent up to now is 172.5 secs Computing kpt #: 175 total cpu time spent up to now is 173.7 secs Computing kpt #: 176 total cpu time spent up to now is 174.8 secs Computing kpt #: 177 total cpu time spent up to now is 176.0 secs Computing kpt #: 178 total cpu time spent up to now is 177.1 secs Computing kpt #: 179 total cpu time spent up to now is 178.3 secs Computing kpt #: 180 total cpu time spent up to now is 179.4 secs Computing kpt #: 181 total cpu time spent up to now is 180.6 secs Computing kpt #: 182 total cpu time spent up to now is 181.6 secs Computing kpt #: 183 total cpu time spent up to now is 182.7 secs Computing kpt #: 184 total cpu time spent up to now is 183.7 secs Computing kpt #: 185 total cpu time spent up to now is 184.7 secs Computing kpt #: 186 total cpu time spent up to now is 185.6 secs Computing kpt #: 187 total cpu time spent up to now is 186.5 secs Computing kpt #: 188 total cpu time spent up to now is 187.4 secs Computing kpt #: 189 total cpu time spent up to now is 188.3 secs Computing kpt #: 190 total cpu time spent up to now is 189.1 secs Computing kpt #: 191 total cpu time spent up to now is 189.9 secs Computing kpt #: 192 total cpu time spent up to now is 190.8 secs Computing kpt #: 193 total cpu time spent up to now is 191.6 secs Computing kpt #: 194 total cpu time spent up to now is 192.4 secs Computing kpt #: 195 total cpu time spent up to now is 193.3 secs Computing kpt #: 196 total cpu time spent up to now is 194.1 secs Computing kpt #: 197 total cpu time spent up to now is 194.9 secs Computing kpt #: 198 total cpu time spent up to now is 195.7 secs Computing kpt #: 199 total cpu time spent up to now is 196.4 secs Computing kpt #: 200 total cpu time spent up to now is 197.2 secs Computing kpt #: 201 total cpu time spent up to now is 198.0 secs Computing kpt #: 202 total cpu time spent up to now is 198.8 secs Computing kpt #: 203 total cpu time spent up to now is 199.6 secs Computing kpt #: 204 total cpu time spent up to now is 200.4 secs Computing kpt #: 205 total cpu time spent up to now is 201.1 secs Computing kpt #: 206 total cpu time spent up to now is 201.9 secs Computing kpt #: 207 total cpu time spent up to now is 202.7 secs Computing kpt #: 208 total cpu time spent up to now is 203.5 secs Computing kpt #: 209 total cpu time spent up to now is 204.2 secs Computing kpt #: 210 total cpu time spent up to now is 205.0 secs Computing kpt #: 211 total cpu time spent up to now is 205.8 secs Computing kpt #: 212 total cpu time spent up to now is 206.5 secs Computing kpt #: 213 total cpu time spent up to now is 207.3 secs Computing kpt #: 214 total cpu time spent up to now is 208.1 secs Computing kpt #: 215 total cpu time spent up to now is 208.9 secs Computing kpt #: 216 total cpu time spent up to now is 209.7 secs Computing kpt #: 217 total cpu time spent up to now is 210.4 secs Computing kpt #: 218 total cpu time spent up to now is 211.2 secs Computing kpt #: 219 total cpu time spent up to now is 212.0 secs Computing kpt #: 220 total cpu time spent up to now is 212.8 secs Computing kpt #: 221 total cpu time spent up to now is 213.6 secs Computing kpt #: 222 total cpu time spent up to now is 214.4 secs Computing kpt #: 223 total cpu time spent up to now is 215.2 secs Computing kpt #: 224 total cpu time spent up to now is 216.0 secs Computing kpt #: 225 total cpu time spent up to now is 216.8 secs Computing kpt #: 226 total cpu time spent up to now is 217.6 secs Computing kpt #: 227 total cpu time spent up to now is 218.5 secs Computing kpt #: 228 total cpu time spent up to now is 219.3 secs Computing kpt #: 229 total cpu time spent up to now is 220.2 secs Computing kpt #: 230 total cpu time spent up to now is 221.0 secs Computing kpt #: 231 total cpu time spent up to now is 221.9 secs Computing kpt #: 232 total cpu time spent up to now is 222.8 secs Computing kpt #: 233 total cpu time spent up to now is 223.7 secs Computing kpt #: 234 total cpu time spent up to now is 224.6 secs Computing kpt #: 235 total cpu time spent up to now is 225.6 secs Computing kpt #: 236 total cpu time spent up to now is 226.5 secs Computing kpt #: 237 total cpu time spent up to now is 227.5 secs Computing kpt #: 238 total cpu time spent up to now is 228.5 secs Computing kpt #: 239 total cpu time spent up to now is 229.5 secs Computing kpt #: 240 total cpu time spent up to now is 230.5 secs Computing kpt #: 241 total cpu time spent up to now is 231.5 secs Computing kpt #: 242 total cpu time spent up to now is 232.5 secs Computing kpt #: 243 total cpu time spent up to now is 233.5 secs Computing kpt #: 244 total cpu time spent up to now is 234.4 secs Computing kpt #: 245 total cpu time spent up to now is 235.4 secs Computing kpt #: 246 total cpu time spent up to now is 236.4 secs Computing kpt #: 247 total cpu time spent up to now is 237.3 secs Computing kpt #: 248 total cpu time spent up to now is 238.3 secs Computing kpt #: 249 total cpu time spent up to now is 239.3 secs Computing kpt #: 250 total cpu time spent up to now is 240.3 secs Computing kpt #: 251 total cpu time spent up to now is 241.2 secs Computing kpt #: 252 total cpu time spent up to now is 242.2 secs Computing kpt #: 253 total cpu time spent up to now is 243.1 secs Computing kpt #: 254 total cpu time spent up to now is 244.1 secs Computing kpt #: 255 total cpu time spent up to now is 245.1 secs Computing kpt #: 256 total cpu time spent up to now is 246.2 secs Computing kpt #: 257 total cpu time spent up to now is 247.2 secs Computing kpt #: 258 total cpu time spent up to now is 248.1 secs Computing kpt #: 259 total cpu time spent up to now is 249.0 secs Computing kpt #: 260 total cpu time spent up to now is 249.9 secs Computing kpt #: 261 total cpu time spent up to now is 250.8 secs Computing kpt #: 262 total cpu time spent up to now is 251.7 secs Computing kpt #: 263 total cpu 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up to now is 264.6 secs Computing kpt #: 279 total cpu time spent up to now is 265.4 secs Computing kpt #: 280 total cpu time spent up to now is 266.1 secs Computing kpt #: 281 total cpu time spent up to now is 266.9 secs Computing kpt #: 282 total cpu time spent up to now is 267.7 secs Computing kpt #: 283 total cpu time spent up to now is 268.5 secs Computing kpt #: 284 total cpu time spent up to now is 269.2 secs Computing kpt #: 285 total cpu time spent up to now is 270.0 secs Computing kpt #: 286 total cpu time spent up to now is 270.8 secs Computing kpt #: 287 total cpu time spent up to now is 271.5 secs Computing kpt #: 288 total cpu time spent up to now is 272.3 secs Computing kpt #: 289 total cpu time spent up to now is 273.1 secs Computing kpt #: 290 total cpu time spent up to now is 273.9 secs Computing kpt #: 291 total cpu time spent up to now is 274.7 secs Computing kpt #: 292 total cpu time spent up to now is 275.5 secs Computing kpt #: 293 total cpu time spent up to now is 276.3 secs Computing kpt #: 294 total cpu time spent up to now is 277.1 secs Computing kpt #: 295 total cpu time spent up to now is 277.9 secs Computing kpt #: 296 total cpu time spent up to now is 278.8 secs Computing kpt #: 297 total cpu time spent up to now is 279.6 secs Computing kpt #: 298 total cpu time spent up to now is 280.5 secs Computing kpt #: 299 total cpu time spent up to now is 281.3 secs Computing kpt #: 300 total cpu time spent up to now is 282.2 secs Computing kpt #: 301 total cpu time spent up to now is 283.1 secs Computing kpt #: 302 total cpu time spent up to now is 284.0 secs Computing kpt #: 303 total cpu time spent up to now is 284.9 secs Computing kpt #: 304 total cpu time spent up to now is 285.8 secs Computing kpt #: 305 total cpu time spent up to now is 286.9 secs Computing kpt #: 306 total cpu time spent up to now is 288.1 secs Computing kpt #: 307 total cpu time spent up to now is 289.2 secs Computing kpt #: 308 total cpu time spent up to now is 290.4 secs Computing kpt #: 309 total cpu time spent up to now is 291.5 secs Computing kpt #: 310 total cpu time spent up to now is 292.7 secs Computing kpt #: 311 total cpu time spent up to now is 293.8 secs Computing kpt #: 312 total cpu time spent up to now is 295.0 secs Computing kpt #: 313 total cpu time spent up to now is 296.2 secs Computing kpt #: 314 total cpu time spent up to now is 297.4 secs Computing kpt #: 315 total cpu time spent up to now is 298.6 secs Computing kpt #: 316 total cpu time spent up to now is 299.7 secs Computing kpt #: 317 total cpu time spent up to now is 300.9 secs Computing kpt #: 318 total cpu time spent up to now is 302.0 secs Computing kpt #: 319 total cpu time spent up to now is 303.0 secs Computing kpt #: 320 total cpu time spent up to now is 303.9 secs Computing kpt #: 321 total cpu time spent up to now is 304.8 secs Computing kpt #: 322 total cpu time spent up to now is 305.7 secs Computing kpt #: 323 total cpu time spent up to now is 306.6 secs Computing kpt #: 324 total cpu time spent up to now is 307.4 secs Computing kpt #: 325 total cpu time spent up to now is 308.3 secs Computing kpt #: 326 total cpu time spent up to now is 309.2 secs Computing kpt #: 327 total cpu time spent up to now is 310.1 secs Computing kpt #: 328 total cpu time spent up to now is 310.9 secs Computing kpt #: 329 total cpu time spent up to now is 311.8 secs Computing kpt #: 330 total cpu time spent up to now is 312.6 secs Computing kpt #: 331 total cpu time spent up to now is 313.5 secs Computing kpt #: 332 total cpu time spent up to now is 314.3 secs Computing kpt #: 333 total cpu time spent up to now is 315.1 secs Computing kpt #: 334 total cpu time spent up to now is 315.9 secs Computing kpt #: 335 total cpu time spent up to now is 316.8 secs Computing kpt #: 336 total cpu time spent up to now is 317.6 secs Computing kpt #: 337 total cpu time spent up to now is 318.3 secs Computing kpt #: 338 total cpu time spent up to now is 319.1 secs Computing kpt #: 339 total cpu time spent up to now is 319.9 secs Computing kpt #: 340 total cpu time spent up to now is 320.7 secs Computing kpt #: 341 total cpu time spent up to now is 321.4 secs Computing kpt #: 342 total cpu time spent up to now is 322.2 secs Computing kpt #: 343 total cpu time spent up to now is 322.9 secs Computing kpt #: 344 total cpu time spent up to now is 323.7 secs Computing kpt #: 345 total cpu time spent up to now is 324.5 secs Computing kpt #: 346 total cpu time spent up to now is 325.3 secs Computing kpt #: 347 total cpu time spent up to now is 326.0 secs Computing kpt #: 348 total cpu time spent up to now is 326.8 secs Computing kpt #: 349 total cpu time spent up to now is 327.6 secs Computing kpt #: 350 total cpu time spent up to now is 328.3 secs Computing kpt #: 351 total cpu time spent up to now is 329.1 secs Computing kpt #: 352 total cpu time spent up to now is 329.9 secs Computing kpt #: 353 total cpu time spent up to now is 330.7 secs Computing kpt #: 354 total cpu time spent up to now is 331.5 secs Computing kpt #: 355 total cpu time spent up to now is 332.3 secs Computing kpt #: 356 total cpu time spent up to now is 333.1 secs Computing kpt #: 357 total cpu time spent up to now is 334.2 secs Computing kpt #: 358 total cpu time spent up to now is 335.1 secs Computing kpt #: 359 total cpu time spent up to now is 335.9 secs Computing kpt #: 360 total cpu time spent up to now is 336.8 secs Computing kpt #: 361 total cpu time spent up to now is 337.6 secs Computing kpt #: 362 total cpu time spent up to now is 338.5 secs Computing kpt #: 363 total cpu time spent up to now is 339.3 secs Computing kpt #: 364 total cpu time spent up to now is 340.2 secs Computing kpt #: 365 total cpu time spent up to now is 341.1 secs Computing kpt #: 366 total cpu time spent up to now is 342.0 secs Computing kpt #: 367 total cpu time spent up to now is 342.9 secs Computing kpt #: 368 total cpu time spent up to now is 344.0 secs Computing kpt #: 369 total cpu time spent up to now is 345.1 secs Computing kpt #: 370 total cpu time spent up to now is 346.3 secs Computing kpt #: 371 total cpu time spent up to now is 347.2 secs Computing kpt #: 372 total cpu time spent up to now is 348.1 secs Computing kpt #: 373 total cpu time spent up to now is 349.0 secs Computing kpt #: 374 total cpu time spent up to now is 350.0 secs Computing kpt #: 375 total cpu time spent up to now is 350.9 secs Computing kpt #: 376 total cpu time spent up to now is 351.8 secs Computing kpt #: 377 total cpu time spent up to now is 352.7 secs Computing kpt #: 378 total cpu time spent up to now is 353.6 secs Computing kpt #: 379 total cpu time spent up to now is 354.5 secs Computing kpt #: 380 total cpu time spent up to now is 355.4 secs Computing kpt #: 381 total cpu time spent up to now is 356.3 secs Computing kpt #: 382 total cpu time spent up to now is 357.2 secs Computing kpt #: 383 total cpu time spent up to now is 358.1 secs Computing kpt #: 384 total cpu time spent up to now is 359.0 secs Computing kpt #: 385 total cpu time spent up to now is 359.9 secs Computing kpt #: 386 total cpu time spent up to now is 360.8 secs Computing kpt #: 387 total cpu time spent up to now is 361.8 secs Computing kpt #: 388 total cpu time spent up to now is 362.7 secs Computing kpt #: 389 total cpu time spent up to now is 363.7 secs Computing kpt #: 390 total cpu time spent up to now is 364.7 secs Computing kpt #: 391 total cpu time spent up to now is 365.7 secs Computing kpt #: 392 total cpu time spent up to now is 366.7 secs Computing kpt #: 393 total cpu time spent up to now is 367.6 secs Computing kpt #: 394 total cpu time spent up to now is 368.6 secs Computing kpt #: 395 total cpu time spent up to now is 369.6 secs Computing kpt #: 396 total cpu time spent up to now is 370.6 secs ethr = 2.50E-08, avg # of iterations = 16.8 total cpu time spent up to now is 370.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15023 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6151 -42.6151 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6502 -6.6502 -4.5201 -4.5201 -2.9526 -2.9526 -2.1830 -2.1830 -2.0319 -2.0319 -1.4054 -1.4054 -0.7637 -0.7637 -0.7486 -0.7486 -0.5851 -0.5851 2.3493 2.3493 2.6607 2.6607 3.2120 3.2120 5.6072 5.6072 6.4053 6.4053 6.7137 6.7137 6.7397 6.7397 k = 0.0139-0.0000-0.0000 ( 15023 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6491 -6.6491 -4.5190 -4.5190 -2.9520 -2.9520 -2.1817 -2.1817 -2.0496 -2.0496 -1.3889 -1.3889 -0.7625 -0.7625 -0.7504 -0.7504 -0.5891 -0.5891 2.3458 2.3458 2.6592 2.6592 3.2099 3.2099 5.6094 5.6094 6.4060 6.4060 6.7140 6.7140 6.7154 6.7154 k = 0.0278-0.0000-0.0000 ( 15015 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6459 -6.6459 -4.5156 -4.5156 -2.9500 -2.9500 -2.1779 -2.1779 -2.0977 -2.0977 -1.3438 -1.3438 -0.7586 -0.7586 -0.7557 -0.7557 -0.6010 -0.6010 2.3354 2.3354 2.6544 2.6544 3.2036 3.2036 5.6159 5.6159 6.4083 6.4083 6.6608 6.6608 6.7150 6.7150 k = 0.0417-0.0000-0.0000 ( 15029 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6050 -42.6050 -42.6009 -42.6009 -6.6405 -6.6405 -4.5100 -4.5100 -2.9468 -2.9468 -2.1716 -2.1716 -2.1671 -2.1671 -1.2797 -1.2797 -0.7646 -0.7646 -0.7522 -0.7522 -0.6206 -0.6206 2.3181 2.3181 2.6465 2.6465 3.1929 3.1929 5.6264 5.6264 6.4124 6.4124 6.5979 6.5979 6.7164 6.7164 k = 0.0556-0.0000-0.0000 ( 15033 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6102 -42.6102 -42.6050 -42.6050 -42.6010 -42.6010 -6.6330 -6.6330 -4.5021 -4.5021 -2.9424 -2.9424 -2.2497 -2.2497 -2.1627 -2.1627 -1.2045 -1.2045 -0.7768 -0.7768 -0.7432 -0.7432 -0.6477 -0.6477 2.2939 2.2939 2.6355 2.6355 3.1778 3.1778 5.6407 5.6407 6.4186 6.4186 6.5363 6.5363 6.7180 6.7180 k = 0.0694-0.0000-0.0000 ( 15019 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6149 -42.6149 -42.6102 -42.6102 -42.6050 -42.6050 -42.6010 -42.6010 -6.6234 -6.6234 -4.4919 -4.4919 -2.9366 -2.9366 -2.3404 -2.3404 -2.1514 -2.1514 -1.1231 -1.1231 -0.7924 -0.7924 -0.7317 -0.7317 -0.6821 -0.6821 2.2627 2.2627 2.6213 2.6213 3.1579 3.1579 5.6585 5.6585 6.4272 6.4272 6.4805 6.4805 6.7194 6.7194 k = 0.0833-0.0000-0.0000 ( 15017 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6149 -42.6149 -42.6101 -42.6101 -42.6051 -42.6051 -42.6010 -42.6010 -6.6117 -6.6117 -4.4794 -4.4794 -2.9296 -2.9296 -2.4364 -2.4364 -2.1375 -2.1375 -1.0386 -1.0386 -0.8112 -0.8112 -0.7232 -0.7232 -0.7176 -0.7176 2.2248 2.2248 2.6040 2.6040 3.1330 3.1330 5.6791 5.6791 6.4327 6.4327 6.4386 6.4386 6.7206 6.7206 k = 0.0972-0.0000-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6148 -42.6148 -42.6101 -42.6101 -42.6051 -42.6051 -42.6011 -42.6011 -6.5978 -6.5978 -4.4647 -4.4647 -2.9213 -2.9213 -2.5357 -2.5357 -2.1212 -2.1212 -0.9526 -0.9526 -0.8330 -0.8330 -0.7706 -0.7706 -0.7010 -0.7010 2.1802 2.1802 2.5837 2.5837 3.1030 3.1030 5.7019 5.7019 6.3943 6.3943 6.4533 6.4533 6.7217 6.7217 k = 0.1111-0.0000-0.0000 ( 15027 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6147 -42.6147 -42.6100 -42.6100 -42.6052 -42.6052 -42.6011 -42.6011 -6.5818 -6.5818 -4.4477 -4.4477 -2.9118 -2.9118 -2.6372 -2.6372 -2.1024 -2.1024 -0.8664 -0.8664 -0.8577 -0.8577 -0.8240 -0.8240 -0.6818 -0.6818 2.1291 2.1291 2.5603 2.5603 3.0676 3.0676 5.7263 5.7263 6.3659 6.3659 6.4714 6.4714 6.7231 6.7231 k = 0.1250-0.0000-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6147 -42.6147 -42.6100 -42.6100 -42.6053 -42.6053 -42.6012 -42.6012 -6.5636 -6.5636 -4.4284 -4.4284 -2.9012 -2.9012 -2.7400 -2.7400 -2.0813 -2.0813 -0.8850 -0.8850 -0.8827 -0.8827 -0.7806 -0.7806 -0.6600 -0.6600 2.0718 2.0718 2.5341 2.5341 3.0269 3.0269 5.7519 5.7519 6.3478 6.3478 6.4934 6.4934 6.7254 6.7254 k = 0.1389-0.0000-0.0000 ( 15019 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6146 -42.6146 -42.6099 -42.6099 -42.6053 -42.6053 -42.6013 -42.6013 -6.5433 -6.5433 -4.4070 -4.4070 -2.8907 -2.8907 -2.8423 -2.8423 -2.0577 -2.0577 -0.9463 -0.9463 -0.9148 -0.9148 -0.6956 -0.6956 -0.6358 -0.6358 2.0087 2.0087 2.5049 2.5049 2.9807 2.9807 5.7777 5.7777 6.3401 6.3401 6.5193 6.5193 6.7296 6.7296 k = 0.1528-0.0000-0.0000 ( 15025 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6145 -42.6145 -42.6098 -42.6098 -42.6054 -42.6054 -42.6014 -42.6014 -6.5209 -6.5209 -4.3833 -4.3833 -2.9506 -2.9506 -2.8735 -2.8735 -2.0319 -2.0319 -1.0143 -1.0143 -0.9468 -0.9468 -0.6118 -0.6118 -0.6090 -0.6090 1.9400 1.9400 2.4731 2.4731 2.9291 2.9291 5.8034 5.8034 6.3426 6.3426 6.5493 6.5493 6.7367 6.7367 k = 0.1667-0.0000-0.0000 ( 15037 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6144 -42.6144 -42.6097 -42.6097 -42.6055 -42.6055 -42.6015 -42.6015 -6.4964 -6.4964 -4.3573 -4.3573 -3.0546 -3.0546 -2.8596 -2.8596 -2.0038 -2.0038 -1.0861 -1.0861 -0.9807 -0.9807 -0.5797 -0.5797 -0.5296 -0.5296 1.8663 1.8663 2.4386 2.4386 2.8723 2.8723 5.8289 5.8289 6.3548 6.3548 6.5834 6.5834 6.7474 6.7474 k = 0.1806-0.0000-0.0000 ( 15041 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6143 -42.6143 -42.6096 -42.6096 -42.6056 -42.6056 -42.6016 -42.6016 -6.4697 -6.4697 -4.3292 -4.3292 -3.1591 -3.1591 -2.8438 -2.8438 -1.9736 -1.9736 -1.1613 -1.1613 -1.0162 -1.0162 -0.5479 -0.5479 -0.4489 -0.4489 1.7881 1.7881 2.4016 2.4016 2.8105 2.8105 5.8537 5.8537 6.3763 6.3763 6.6216 6.6216 6.7623 6.7623 k = 0.1944-0.0000-0.0000 ( 15037 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6141 -42.6141 -42.6095 -42.6095 -42.6057 -42.6057 -42.6017 -42.6017 -6.4410 -6.4410 -4.2988 -4.2988 -3.2635 -3.2635 -2.8266 -2.8266 -1.9414 -1.9414 -1.2395 -1.2395 -1.0531 -1.0531 -0.5136 -0.5136 -0.3700 -0.3700 1.7059 1.7059 2.3622 2.3622 2.7441 2.7441 5.8781 5.8781 6.4064 6.4064 6.6637 6.6637 6.7817 6.7817 k = 0.2083-0.0000-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6140 -42.6140 -42.6094 -42.6094 -42.6058 -42.6058 -42.6018 -42.6018 -6.4101 -6.4101 -4.2661 -4.2661 -3.3676 -3.3676 -2.8082 -2.8082 -1.9075 -1.9075 -1.3202 -1.3202 -1.0908 -1.0908 -0.4768 -0.4768 -0.2930 -0.2930 1.6203 1.6203 2.3207 2.3207 2.6732 2.6732 5.9021 5.9021 6.4444 6.4444 6.7097 6.7097 6.8058 6.8058 k = 0.2222-0.0000-0.0000 ( 15011 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6139 -42.6139 -42.6093 -42.6093 -42.6059 -42.6059 -42.6019 -42.6019 -6.3771 -6.3771 -4.2313 -4.2313 -3.4711 -3.4711 -2.7884 -2.7884 -1.8720 -1.8720 -1.4030 -1.4030 -1.1290 -1.1290 -0.4376 -0.4376 -0.2180 -0.2180 1.5319 1.5319 2.2771 2.2771 2.5984 2.5984 5.9258 5.9258 6.4895 6.4895 6.7593 6.7593 6.8344 6.8344 k = 0.2361-0.0000-0.0000 ( 14995 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6137 -42.6137 -42.6092 -42.6092 -42.6060 -42.6060 -42.6020 -42.6020 -6.3421 -6.3421 -4.1943 -4.1943 -3.5739 -3.5739 -2.7674 -2.7674 -1.8356 -1.8356 -1.4875 -1.4875 -1.1670 -1.1670 -0.3959 -0.3959 -0.1452 -0.1452 1.4415 1.4415 2.2316 2.2316 2.5201 2.5201 5.9499 5.9499 6.5410 6.5410 6.8124 6.8124 6.8674 6.8674 k = 0.2500-0.0000-0.0000 ( 14997 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6136 -42.6136 -42.6091 -42.6091 -42.6061 -42.6061 -42.6022 -42.6022 -6.3049 -6.3049 -4.1551 -4.1551 -3.6759 -3.6759 -2.7451 -2.7451 -1.7988 -1.7988 -1.5734 -1.5734 -1.2040 -1.2040 -0.3517 -0.3517 -0.0748 -0.0748 1.3496 1.3496 2.1844 2.1844 2.4386 2.4386 5.9743 5.9743 6.5980 6.5980 6.8687 6.8687 6.9044 6.9044 k = 0.2639-0.0000-0.0000 ( 15001 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6134 -42.6134 -42.6090 -42.6090 -42.6062 -42.6062 -42.6023 -42.6023 -6.2656 -6.2656 -4.1138 -4.1138 -3.7770 -3.7770 -2.7216 -2.7216 -1.7627 -1.7627 -1.6604 -1.6604 -1.2387 -1.2387 -0.3052 -0.3052 -0.0071 -0.0071 1.2571 1.2571 2.1357 2.1357 2.3545 2.3545 5.9995 5.9995 6.6598 6.6598 6.9280 6.9280 6.9452 6.9452 k = 0.2778-0.0000-0.0000 ( 15011 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6133 -42.6133 -42.6089 -42.6089 -42.6064 -42.6064 -42.6024 -42.6024 -6.2242 -6.2242 -4.0704 -4.0704 -3.8771 -3.8771 -2.6968 -2.6968 -1.7482 -1.7482 -1.7292 -1.7292 -1.2691 -1.2691 -0.2562 -0.2562 0.0574 0.0574 1.1650 1.1650 2.0855 2.0855 2.2680 2.2680 6.0258 6.0258 6.7257 6.7257 6.9894 6.9894 6.9902 6.9902 k = 0.2917-0.0000-0.0000 ( 15011 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6131 -42.6131 -42.6088 -42.6088 -42.6065 -42.6065 -42.6026 -42.6026 -6.1807 -6.1807 -4.0248 -4.0248 -3.9761 -3.9761 -2.6708 -2.6708 -1.8365 -1.8365 -1.7009 -1.7009 -1.2925 -1.2925 -0.2049 -0.2049 0.1179 0.1179 1.0745 1.0745 2.0340 2.0340 2.1796 2.1796 6.0534 6.0534 6.7950 6.7950 7.0369 7.0369 7.0547 7.0547 k = 0.3056-0.0000-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6129 -42.6129 -42.6087 -42.6087 -42.6066 -42.6066 -42.6028 -42.6028 -6.1352 -6.1352 -4.0739 -4.0739 -3.9771 -3.9771 -2.6436 -2.6436 -1.9251 -1.9251 -1.6817 -1.6817 -1.3049 -1.3049 -0.1512 -0.1512 0.1731 0.1731 0.9874 0.9874 1.9815 1.9815 2.0898 2.0898 6.0825 6.0825 6.8673 6.8673 7.0873 7.0873 7.1214 7.1214 k = 0.3194-0.0000-0.0000 ( 15019 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6127 -42.6127 -42.6086 -42.6086 -42.6066 -42.6066 -42.6029 -42.6029 -6.0876 -6.0876 -4.1705 -4.1705 -3.9272 -3.9272 -2.6152 -2.6152 -2.0138 -2.0138 -1.6753 -1.6753 -1.3024 -1.3024 -0.0951 -0.0951 0.2203 0.2203 0.9067 0.9067 1.9280 1.9280 1.9987 1.9987 6.1133 6.1133 6.9421 6.9421 7.1405 7.1405 7.1900 7.1900 k = 0.3333-0.0000-0.0000 ( 15013 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6125 -42.6125 -42.6086 -42.6086 -42.6067 -42.6067 -42.6031 -42.6031 -6.0379 -6.0379 -4.2657 -4.2657 -3.8753 -3.8753 -2.5856 -2.5856 -2.1023 -2.1023 -1.6831 -1.6831 -1.2835 -1.2835 -0.0368 -0.0368 0.2555 0.2555 0.8369 0.8369 1.8736 1.8736 1.9068 1.9068 6.1458 6.1458 7.0191 7.0191 7.1962 7.1962 7.2603 7.2603 k = 0.3472-0.0000-0.0000 ( 15013 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6123 -42.6123 -42.6086 -42.6086 -42.6067 -42.6067 -42.6032 -42.6032 -5.9861 -5.9861 -4.3595 -4.3595 -3.8213 -3.8213 -2.5548 -2.5548 -2.1905 -2.1905 -1.7033 -1.7033 -1.2500 -1.2500 0.0238 0.0238 0.2720 0.2720 0.7851 0.7851 1.8144 1.8144 1.8185 1.8185 6.1801 6.1801 7.0978 7.0978 7.2544 7.2544 7.3320 7.3320 k = 0.3611-0.0000-0.0000 ( 15017 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6122 -42.6122 -42.6086 -42.6086 -42.6067 -42.6067 -42.6034 -42.6034 -5.9323 -5.9323 -4.4518 -4.4518 -3.7653 -3.7653 -2.5229 -2.5229 -2.2782 -2.2782 -1.7324 -1.7324 -1.2052 -1.2052 0.0866 0.0866 0.2628 0.2628 0.7583 0.7583 1.7218 1.7218 1.7627 1.7627 6.2163 6.2163 7.1783 7.1783 7.2817 7.2817 7.3149 7.3149 k = 0.3750-0.0000-0.0000 ( 15007 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6120 -42.6120 -42.6087 -42.6087 -42.6066 -42.6066 -42.6036 -42.6036 -5.8765 -5.8765 -4.5426 -4.5426 -3.7073 -3.7073 -2.4898 -2.4898 -2.3652 -2.3652 -1.7674 -1.7674 -1.1520 -1.1520 0.1517 0.1517 0.2264 0.2264 0.7588 0.7588 1.6291 1.6291 1.7064 1.7064 6.2544 6.2544 7.2171 7.2171 7.2602 7.2602 7.3775 7.3775 k = 0.3889-0.0000-0.0000 ( 15001 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6118 -42.6118 -42.6088 -42.6088 -42.6065 -42.6065 -42.6038 -42.6038 -5.8187 -5.8187 -4.6319 -4.6319 -3.6473 -3.6473 -2.4557 -2.4557 -2.4515 -2.4515 -1.8061 -1.8061 -1.0928 -1.0928 0.1683 0.1683 0.2189 0.2189 0.7810 0.7810 1.5367 1.5367 1.6497 1.6497 6.2943 6.2943 7.1532 7.1532 7.3434 7.3434 7.4422 7.4422 k = 0.4028-0.0000-0.0000 ( 14999 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6116 -42.6116 -42.6089 -42.6089 -42.6064 -42.6064 -42.6040 -42.6040 -5.7588 -5.7588 -4.7196 -4.7196 -3.5853 -3.5853 -2.5368 -2.5368 -2.4204 -2.4204 -1.8470 -1.8470 -1.0287 -1.0287 0.0963 0.0963 0.2882 0.2882 0.8175 0.8175 1.4448 1.4448 1.5926 1.5926 6.3361 6.3361 7.0900 7.0900 7.4280 7.4280 7.5089 7.5089 k = 0.4167-0.0000-0.0000 ( 14991 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6114 -42.6114 -42.6090 -42.6090 -42.6063 -42.6063 -42.6041 -42.6041 -5.6970 -5.6970 -4.8055 -4.8055 -3.5214 -3.5214 -2.6211 -2.6211 -2.3841 -2.3841 -1.8893 -1.8893 -0.9607 -0.9607 0.0166 0.0166 0.3596 0.3596 0.8623 0.8623 1.3535 1.3535 1.5353 1.5353 6.3796 6.3796 7.0278 7.0278 7.5136 7.5136 7.5774 7.5774 k = 0.4306-0.0000-0.0000 ( 14991 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6112 -42.6112 -42.6092 -42.6092 -42.6061 -42.6061 -42.6043 -42.6043 -5.6331 -5.6331 -4.8898 -4.8898 -3.4556 -3.4556 -2.7043 -2.7043 -2.3468 -2.3468 -1.9322 -1.9322 -0.8895 -0.8895 -0.0673 -0.0673 0.4330 0.4330 0.9121 0.9121 1.2630 1.2630 1.4777 1.4777 6.4250 6.4250 6.9664 6.9664 7.6001 7.6001 7.6477 7.6477 k = 0.4444-0.0000-0.0000 ( 14997 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6110 -42.6110 -42.6094 -42.6094 -42.6059 -42.6059 -42.6045 -42.6045 -5.5674 -5.5674 -4.9724 -4.9724 -3.3880 -3.3880 -2.7862 -2.7862 -2.3086 -2.3086 -1.9756 -1.9756 -0.8153 -0.8153 -0.1532 -0.1532 0.5084 0.5084 0.9650 0.9650 1.1736 1.1736 1.4200 1.4200 6.4722 6.4722 6.9061 6.9061 7.6870 7.6870 7.7198 7.7198 k = 0.4583-0.0000-0.0000 ( 14991 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6107 -42.6107 -42.6096 -42.6096 -42.6058 -42.6058 -42.6047 -42.6047 -5.4996 -5.4996 -5.0532 -5.0532 -3.3186 -3.3186 -2.8668 -2.8668 -2.2694 -2.2694 -2.0189 -2.0189 -0.7387 -0.7387 -0.2397 -0.2397 0.5857 0.5857 1.0197 1.0197 1.0853 1.0853 1.3623 1.3623 6.5210 6.5210 6.8470 6.8470 7.7735 7.7735 7.7933 7.7933 k = 0.4722-0.0000-0.0000 ( 14994 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6105 -42.6105 -42.6097 -42.6097 -42.6056 -42.6056 -42.6049 -42.6049 -5.4299 -5.4299 -5.1322 -5.1322 -3.2474 -3.2474 -2.9461 -2.9461 -2.2293 -2.2293 -2.0620 -2.0620 -0.6597 -0.6597 -0.3260 -0.3260 0.6649 0.6649 0.9982 0.9982 1.0756 1.0756 1.3045 1.3045 6.5716 6.5716 6.7891 6.7891 7.8575 7.8575 7.8684 7.8684 k = 0.4861-0.0000-0.0000 ( 14984 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6103 -42.6103 -42.6099 -42.6099 -42.6054 -42.6054 -42.6051 -42.6051 -5.3583 -5.3583 -5.2094 -5.2094 -3.1745 -3.1745 -3.0238 -3.0238 -2.1885 -2.1885 -2.1047 -2.1047 -0.5787 -0.5787 -0.4115 -0.4115 0.7458 0.7458 0.9125 0.9125 1.1322 1.1322 1.2469 1.2469 6.6237 6.6237 6.7325 6.7325 7.9336 7.9336 7.9449 7.9449 k = 0.5000-0.0000-0.0000 ( 14986 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2848 -5.2848 -5.2847 -5.2847 -3.1000 -3.1000 -3.0999 -3.0999 -2.1470 -2.1470 -2.1468 -2.1468 -0.4959 -0.4959 -0.4958 -0.4958 0.8283 0.8283 0.8284 0.8284 1.1894 1.1894 1.1894 1.1894 6.6774 6.6774 6.6774 6.6774 7.9880 7.9880 7.9881 7.9881 k = 0.5000-0.0000-0.0000 ( 14986 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2848 -5.2848 -5.2847 -5.2847 -3.1000 -3.1000 -3.0999 -3.0999 -2.1470 -2.1470 -2.1468 -2.1468 -0.4959 -0.4959 -0.4958 -0.4958 0.8283 0.8283 0.8284 0.8284 1.1894 1.1894 1.1894 1.1894 6.6774 6.6774 6.6774 6.6774 7.9880 7.9880 7.9881 7.9881 k = 0.5000 0.0139-0.0000 ( 14982 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6052 -42.6052 -42.6052 -42.6052 -5.2839 -5.2839 -5.2838 -5.2838 -3.0989 -3.0989 -3.0988 -3.0988 -2.1470 -2.1470 -2.1468 -2.1468 -0.5056 -0.5056 -0.5055 -0.5055 0.8243 0.8243 0.8243 0.8243 1.1993 1.1993 1.1993 1.1993 6.6833 6.6833 6.6833 6.6833 7.9636 7.9636 7.9637 7.9637 k = 0.5000 0.0278-0.0000 ( 14978 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6052 -42.6052 -42.6052 -42.6052 -5.2810 -5.2810 -5.2809 -5.2809 -3.0955 -3.0955 -3.0955 -3.0955 -2.1469 -2.1469 -2.1467 -2.1467 -0.5339 -0.5339 -0.5338 -0.5338 0.8122 0.8122 0.8123 0.8123 1.2282 1.2282 1.2283 1.2283 6.7009 6.7009 6.7010 6.7010 7.9072 7.9072 7.9072 7.9072 k = 0.5000 0.0417-0.0000 ( 14982 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2762 -5.2762 -5.2761 -5.2761 -3.0899 -3.0899 -3.0899 -3.0899 -2.1468 -2.1468 -2.1466 -2.1466 -0.5790 -0.5790 -0.5790 -0.5790 0.7923 0.7923 0.7924 0.7924 1.2744 1.2744 1.2744 1.2744 6.7302 6.7302 6.7302 6.7302 7.8392 7.8392 7.8392 7.8392 k = 0.5000 0.0556-0.0000 ( 14972 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2695 -5.2695 -5.2694 -5.2694 -3.0821 -3.0821 -3.0821 -3.0821 -2.1466 -2.1466 -2.1464 -2.1464 -0.6384 -0.6384 -0.6383 -0.6383 0.7648 0.7648 0.7648 0.7648 1.3350 1.3350 1.3351 1.3351 6.7707 6.7707 6.7707 6.7707 7.7685 7.7685 7.7685 7.7685 k = 0.5000 0.0694-0.0000 ( 14976 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2609 -5.2609 -5.2608 -5.2608 -3.0722 -3.0722 -3.0721 -3.0721 -2.1465 -2.1465 -2.1463 -2.1463 -0.7092 -0.7092 -0.7091 -0.7091 0.7300 0.7300 0.7301 0.7301 1.4074 1.4074 1.4074 1.4074 6.8220 6.8220 6.8221 6.8221 7.6986 7.6986 7.6986 7.6986 k = 0.5000 0.0833-0.0000 ( 14976 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2504 -5.2504 -5.2503 -5.2503 -3.0599 -3.0599 -3.0599 -3.0599 -2.1462 -2.1462 -2.1460 -2.1460 -0.7890 -0.7890 -0.7889 -0.7889 0.6884 0.6884 0.6885 0.6885 1.4888 1.4888 1.4889 1.4889 6.8838 6.8838 6.8839 6.8839 7.6312 7.6312 7.6312 7.6312 k = 0.5000 0.0972-0.0000 ( 14972 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2380 -5.2380 -5.2379 -5.2379 -3.0455 -3.0455 -3.0455 -3.0455 -2.1460 -2.1460 -2.1458 -2.1458 -0.8755 -0.8755 -0.8755 -0.8755 0.6405 0.6405 0.6406 0.6406 1.5771 1.5771 1.5771 1.5771 6.9555 6.9555 6.9556 6.9556 7.5671 7.5671 7.5671 7.5671 k = 0.5000 0.1111-0.0000 ( 14964 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.2238 -5.2238 -5.2237 -5.2237 -3.0289 -3.0289 -3.0289 -3.0289 -2.1457 -2.1457 -2.1455 -2.1455 -0.9671 -0.9671 -0.9671 -0.9671 0.5868 0.5868 0.5869 0.5869 1.6702 1.6702 1.6703 1.6703 7.0365 7.0365 7.0366 7.0366 7.5070 7.5070 7.5070 7.5070 k = 0.5000 0.1250-0.0000 ( 14974 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.2078 -5.2078 -5.2077 -5.2077 -3.0102 -3.0102 -3.0101 -3.0101 -2.1453 -2.1453 -2.1451 -2.1451 -1.0623 -1.0623 -1.0623 -1.0623 0.5278 0.5278 0.5279 0.5279 1.7666 1.7666 1.7667 1.7667 7.1261 7.1261 7.1261 7.1261 7.4514 7.4514 7.4514 7.4514 k = 0.5000 0.1389-0.0000 ( 14952 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.1899 -5.1899 -5.1898 -5.1898 -2.9892 -2.9892 -2.9892 -2.9892 -2.1450 -2.1450 -2.1448 -2.1448 -1.1600 -1.1600 -1.1599 -1.1599 0.4642 0.4642 0.4642 0.4642 1.8650 1.8650 1.8650 1.8650 7.2237 7.2237 7.2237 7.2237 7.4005 7.4005 7.4005 7.4005 k = 0.5000 0.1528-0.0000 ( 14956 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.1704 -5.1704 -5.1703 -5.1703 -2.9662 -2.9662 -2.9662 -2.9662 -2.1446 -2.1446 -2.1444 -2.1444 -1.2592 -1.2592 -1.2591 -1.2591 0.3963 0.3963 0.3964 0.3964 1.9642 1.9642 1.9643 1.9643 7.3286 7.3286 7.3287 7.3287 7.3546 7.3546 7.3546 7.3546 k = 0.5000 0.1667-0.0000 ( 14962 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.1491 -5.1491 -5.1490 -5.1490 -2.9410 -2.9410 -2.9410 -2.9410 -2.1443 -2.1443 -2.1441 -2.1441 -1.3592 -1.3592 -1.3592 -1.3592 0.3248 0.3248 0.3249 0.3249 2.0634 2.0634 2.0635 2.0635 7.3141 7.3141 7.3141 7.3141 7.4402 7.4402 7.4403 7.4403 k = 0.5000 0.1806-0.0000 ( 14966 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.1262 -5.1262 -5.1261 -5.1261 -2.9138 -2.9138 -2.9138 -2.9138 -2.1440 -2.1440 -2.1438 -2.1438 -1.4595 -1.4595 -1.4594 -1.4594 0.2502 0.2502 0.2503 0.2503 2.1617 2.1617 2.1617 2.1617 7.2792 7.2792 7.2792 7.2792 7.5579 7.5579 7.5579 7.5579 k = 0.5000 0.1945-0.0000 ( 14966 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.1016 -5.1016 -5.1015 -5.1015 -2.8845 -2.8845 -2.8845 -2.8845 -2.1437 -2.1437 -2.1435 -2.1435 -1.5594 -1.5594 -1.5593 -1.5593 0.1730 0.1730 0.1731 0.1731 2.2584 2.2584 2.2584 2.2584 7.2500 7.2500 7.2500 7.2500 7.6808 7.6808 7.6809 7.6809 k = 0.5000 0.2083-0.0000 ( 14966 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.0755 -5.0755 -5.0754 -5.0754 -2.8532 -2.8532 -2.8532 -2.8532 -2.1436 -2.1436 -2.1434 -2.1434 -1.6585 -1.6585 -1.6585 -1.6585 0.0937 0.0937 0.0937 0.0937 2.3528 2.3528 2.3529 2.3529 7.2267 7.2267 7.2267 7.2267 7.8085 7.8085 7.8085 7.8085 k = 0.5000 0.2222-0.0000 ( 14986 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.0481 -5.0481 -5.0480 -5.0480 -2.8199 -2.8199 -2.8199 -2.8199 -2.1436 -2.1436 -2.1434 -2.1434 -1.7565 -1.7565 -1.7564 -1.7564 0.0126 0.0126 0.0127 0.0127 2.4444 2.4444 2.4445 2.4445 7.2095 7.2095 7.2095 7.2095 7.9401 7.9401 7.9401 7.9401 k = 0.5000 0.2361-0.0000 ( 14992 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.0192 -5.0192 -5.0191 -5.0191 -2.7848 -2.7848 -2.7847 -2.7847 -2.1440 -2.1440 -2.1438 -2.1438 -1.8526 -1.8526 -1.8526 -1.8526 -0.0697 -0.0697 -0.0697 -0.0697 2.5328 2.5328 2.5329 2.5329 7.1985 7.1985 7.1985 7.1985 8.0751 8.0751 8.0751 8.0751 k = 0.5000 0.2500-0.0000 ( 14984 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -4.9890 -4.9890 -4.9889 -4.9889 -2.7477 -2.7477 -2.7477 -2.7477 -2.1452 -2.1452 -2.1451 -2.1451 -1.9462 -1.9462 -1.9462 -1.9462 -0.1530 -0.1530 -0.1529 -0.1529 2.6174 2.6174 2.6174 2.6174 7.1938 7.1938 7.1938 7.1938 8.2126 8.2126 8.2126 8.2126 k = 0.5000 0.2639-0.0000 ( 14982 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -4.9577 -4.9577 -4.9576 -4.9576 -2.7089 -2.7089 -2.7089 -2.7089 -2.1496 -2.1496 -2.1494 -2.1494 -2.0347 -2.0347 -2.0347 -2.0347 -0.2367 -0.2367 -0.2366 -0.2366 2.6978 2.6978 2.6979 2.6979 7.1952 7.1952 7.1952 7.1952 8.2982 8.2982 8.2984 8.2984 k = 0.5000 0.2778-0.0000 ( 14974 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6054 -42.6054 -42.6053 -42.6053 -4.9255 -4.9255 -4.9254 -4.9254 -2.6684 -2.6684 -2.6683 -2.6683 -2.1707 -2.1707 -2.1707 -2.1707 -2.1042 -2.1042 -2.1041 -2.1041 -0.3205 -0.3205 -0.3205 -0.3205 2.7737 2.7737 2.7738 2.7738 7.2028 7.2028 7.2028 7.2028 8.3232 8.3232 8.3234 8.3234 k = 0.5000 0.2917-0.0000 ( 14978 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.8924 -4.8924 -4.8923 -4.8923 -2.6263 -2.6263 -2.6263 -2.6263 -2.2364 -2.2364 -2.2364 -2.2364 -2.1266 -2.1266 -2.1264 -2.1264 -0.4042 -0.4042 -0.4041 -0.4041 2.8449 2.8449 2.8450 2.8450 7.2164 7.2164 7.2164 7.2164 8.3480 8.3480 8.3482 8.3482 k = 0.5000 0.3056-0.0000 ( 14978 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.8587 -4.8587 -4.8586 -4.8586 -2.5828 -2.5828 -2.5827 -2.5827 -2.3171 -2.3171 -2.3171 -2.3171 -2.1311 -2.1311 -2.1309 -2.1309 -0.4873 -0.4873 -0.4872 -0.4872 2.9111 2.9111 2.9112 2.9112 7.2358 7.2358 7.2358 7.2358 8.3727 8.3727 8.3729 8.3729 k = 0.5000 0.3195-0.0000 ( 14970 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.8247 -4.8247 -4.8246 -4.8246 -2.5379 -2.5379 -2.5379 -2.5379 -2.3978 -2.3978 -2.3977 -2.3977 -2.1325 -2.1325 -2.1323 -2.1323 -0.5694 -0.5694 -0.5694 -0.5694 2.9722 2.9722 2.9722 2.9722 7.2606 7.2606 7.2606 7.2606 8.3971 8.3971 8.3973 8.3973 k = 0.5000 0.3334-0.0000 ( 14984 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.7906 -4.7906 -4.7905 -4.7905 -2.4921 -2.4921 -2.4920 -2.4920 -2.4758 -2.4758 -2.4757 -2.4757 -2.1329 -2.1329 -2.1327 -2.1327 -0.6502 -0.6502 -0.6502 -0.6502 3.0280 3.0280 3.0281 3.0281 7.2905 7.2905 7.2905 7.2905 8.4208 8.4208 8.4210 8.4210 k = 0.5000 0.3472-0.0000 ( 14992 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.7568 -4.7568 -4.7567 -4.7567 -2.5502 -2.5502 -2.5502 -2.5502 -2.4454 -2.4454 -2.4453 -2.4453 -2.1331 -2.1331 -2.1329 -2.1329 -0.7293 -0.7293 -0.7292 -0.7292 3.0786 3.0786 3.0787 3.0787 7.3248 7.3248 7.3248 7.3248 8.4437 8.4437 8.4439 8.4439 k = 0.5000 0.3611-0.0000 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.7236 -4.7236 -4.7235 -4.7235 -2.6204 -2.6204 -2.6204 -2.6204 -2.3982 -2.3982 -2.3982 -2.3982 -2.1330 -2.1330 -2.1328 -2.1328 -0.8061 -0.8061 -0.8060 -0.8060 3.1240 3.1240 3.1241 3.1241 7.3630 7.3630 7.3630 7.3630 8.4655 8.4655 8.4657 8.4657 k = 0.5000 0.3750-0.0000 ( 14980 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.6915 -4.6915 -4.6914 -4.6914 -2.6858 -2.6858 -2.6858 -2.6858 -2.3511 -2.3511 -2.3510 -2.3510 -2.1329 -2.1329 -2.1327 -2.1327 -0.8801 -0.8801 -0.8800 -0.8800 3.1642 3.1642 3.1643 3.1643 7.4041 7.4041 7.4042 7.4042 8.4859 8.4859 8.4861 8.4861 k = 0.5000 0.3889-0.0000 ( 14978 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.6610 -4.6610 -4.6609 -4.6609 -2.7458 -2.7458 -2.7458 -2.7458 -2.3045 -2.3045 -2.3045 -2.3045 -2.1327 -2.1327 -2.1325 -2.1325 -0.9506 -0.9506 -0.9505 -0.9505 3.1992 3.1992 3.1993 3.1993 7.4474 7.4474 7.4474 7.4474 8.5047 8.5047 8.5049 8.5049 k = 0.5000 0.4028-0.0000 ( 14990 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.6327 -4.6327 -4.6325 -4.6325 -2.7998 -2.7998 -2.7998 -2.7998 -2.2593 -2.2593 -2.2593 -2.2593 -2.1325 -2.1325 -2.1323 -2.1323 -1.0167 -1.0167 -1.0166 -1.0166 3.2293 3.2293 3.2294 3.2294 7.4914 7.4914 7.4914 7.4914 8.5216 8.5216 8.5218 8.5218 k = 0.5000 0.4167-0.0000 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6054 -42.6054 -42.6054 -42.6054 -4.6071 -4.6071 -4.6070 -4.6070 -2.8472 -2.8472 -2.8471 -2.8471 -2.2165 -2.2165 -2.2165 -2.2165 -2.1323 -2.1323 -2.1321 -2.1321 -1.0773 -1.0773 -1.0772 -1.0772 3.2545 3.2545 3.2546 3.2546 7.5347 7.5347 7.5347 7.5347 8.5364 8.5364 8.5366 8.5366 k = 0.5000 0.4306-0.0000 ( 15006 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5850 -4.5850 -4.5849 -4.5849 -2.8871 -2.8871 -2.8871 -2.8871 -2.1775 -2.1775 -2.1775 -2.1775 -2.1322 -2.1322 -2.1320 -2.1320 -1.1310 -1.1310 -1.1310 -1.1310 3.2749 3.2749 3.2750 3.2750 7.5755 7.5755 7.5756 7.5756 8.5489 8.5489 8.5491 8.5491 k = 0.5000 0.4445-0.0000 ( 15014 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5670 -4.5670 -4.5669 -4.5669 -2.9191 -2.9191 -2.9191 -2.9191 -2.1439 -2.1439 -2.1439 -2.1439 -2.1321 -2.1321 -2.1319 -2.1319 -1.1761 -1.1761 -1.1760 -1.1760 3.2906 3.2906 3.2907 3.2907 7.6116 7.6116 7.6116 7.6116 8.5211 8.5211 8.5211 8.5211 k = 0.5000 0.4584-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5537 -4.5537 -4.5535 -4.5535 -2.9424 -2.9424 -2.9424 -2.9424 -2.1320 -2.1320 -2.1318 -2.1318 -2.1177 -2.1177 -2.1177 -2.1177 -1.2104 -1.2104 -1.2103 -1.2103 3.3018 3.3018 3.3019 3.3019 7.6402 7.6402 7.6402 7.6402 8.4890 8.4890 8.4890 8.4890 k = 0.5000 0.4723-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5454 -4.5454 -4.5453 -4.5453 -2.9566 -2.9566 -2.9566 -2.9566 -2.1319 -2.1319 -2.1317 -2.1317 -2.1010 -2.1010 -2.1010 -2.1010 -1.2321 -1.2321 -1.2320 -1.2320 3.3085 3.3085 3.3085 3.3085 7.6588 7.6588 7.6588 7.6588 8.4684 8.4684 8.4684 8.4684 k = 0.5000 0.4861-0.0000 ( 15032 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5427 -4.5427 -4.5425 -4.5425 -2.9614 -2.9614 -2.9614 -2.9614 -2.1319 -2.1319 -2.1317 -2.1317 -2.0952 -2.0952 -2.0952 -2.0952 -1.2396 -1.2396 -1.2395 -1.2395 3.3107 3.3107 3.3108 3.3108 7.6653 7.6653 7.6653 7.6653 8.4612 8.4612 8.4612 8.4612 k = 0.5000 0.4861-0.0000 ( 15032 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5427 -4.5427 -4.5425 -4.5425 -2.9614 -2.9614 -2.9614 -2.9614 -2.1319 -2.1319 -2.1317 -2.1317 -2.0952 -2.0952 -2.0952 -2.0952 -1.2396 -1.2396 -1.2395 -1.2395 3.3107 3.3107 3.3108 3.3108 7.6653 7.6653 7.6653 7.6653 8.4612 8.4612 8.4612 8.4612 k = 0.4861 0.4861-0.0000 ( 15018 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5456 -4.5456 -4.5454 -4.5454 -2.9565 -2.9565 -2.9565 -2.9565 -2.1319 -2.1319 -2.1317 -2.1317 -2.1013 -2.1013 -2.1013 -2.1013 -1.2318 -1.2318 -1.2317 -1.2317 3.3091 3.3091 3.3092 3.3092 7.6594 7.6594 7.6595 7.6595 8.4676 8.4676 8.4676 8.4676 k = 0.4722 0.4861-0.0000 ( 15018 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5542 -4.5542 -4.5541 -4.5541 -2.9421 -2.9421 -2.9421 -2.9421 -2.1320 -2.1320 -2.1318 -2.1318 -2.1189 -2.1189 -2.1189 -2.1189 -1.2094 -1.2094 -1.2093 -1.2093 3.3045 3.3045 3.3046 3.3046 7.6425 7.6425 7.6426 7.6426 8.4862 8.4862 8.4863 8.4863 k = 0.4583 0.4861-0.0000 ( 15018 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.5682 -4.5682 -4.5681 -4.5681 -2.9183 -2.9183 -2.9183 -2.9183 -2.1463 -2.1463 -2.1463 -2.1463 -2.1320 -2.1320 -2.1318 -2.1318 -1.1738 -1.1738 -1.1738 -1.1738 3.2967 3.2967 3.2967 3.2967 7.6162 7.6162 7.6162 7.6162 8.5155 8.5155 8.5155 8.5155 k = 0.4444 0.4861-0.0000 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.5872 -4.5872 -4.5870 -4.5870 -2.8859 -2.8859 -2.8859 -2.8859 -2.1815 -2.1815 -2.1815 -2.1815 -2.1321 -2.1321 -2.1319 -2.1319 -1.1274 -1.1274 -1.1273 -1.1273 3.2856 3.2856 3.2857 3.2857 7.5824 7.5824 7.5824 7.5824 8.5436 8.5436 8.5438 8.5438 k = 0.4306 0.4861-0.0000 ( 15004 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.6104 -4.6104 -4.6102 -4.6102 -2.8453 -2.8453 -2.8453 -2.8453 -2.2223 -2.2223 -2.2222 -2.2222 -2.1323 -2.1323 -2.1321 -2.1321 -1.0721 -1.0721 -1.0720 -1.0720 3.2712 3.2712 3.2713 3.2713 7.5432 7.5432 7.5432 7.5432 8.5281 8.5281 8.5283 8.5283 k = 0.4167 0.4861-0.0000 ( 15012 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.6371 -4.6371 -4.6370 -4.6370 -2.7973 -2.7973 -2.7973 -2.7973 -2.2669 -2.2669 -2.2669 -2.2669 -2.1324 -2.1324 -2.1322 -2.1322 -1.0099 -1.0099 -1.0098 -1.0098 3.2534 3.2534 3.2535 3.2535 7.5005 7.5005 7.5005 7.5005 8.5094 8.5094 8.5096 8.5096 k = 0.4028 0.4861-0.0000 ( 15024 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.6669 -4.6669 -4.6667 -4.6667 -2.7426 -2.7426 -2.7426 -2.7426 -2.3141 -2.3141 -2.3140 -2.3140 -2.1326 -2.1326 -2.1324 -2.1324 -0.9421 -0.9421 -0.9420 -0.9420 3.2320 3.2320 3.2321 3.2321 7.4557 7.4557 7.4557 7.4557 8.4876 8.4876 8.4878 8.4878 k = 0.3889 0.4861-0.0000 ( 15024 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.6988 -4.6988 -4.6987 -4.6987 -2.6819 -2.6819 -2.6819 -2.6819 -2.3626 -2.3626 -2.3626 -2.3626 -2.1327 -2.1327 -2.1325 -2.1325 -0.8700 -0.8700 -0.8699 -0.8699 3.2069 3.2069 3.2070 3.2070 7.4102 7.4102 7.4102 7.4102 8.4629 8.4629 8.4631 8.4631 k = 0.3750 0.4861-0.0000 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.7325 -4.7325 -4.7324 -4.7324 -2.6158 -2.6158 -2.6158 -2.6158 -2.4117 -2.4117 -2.4117 -2.4117 -2.1329 -2.1329 -2.1327 -2.1327 -0.7943 -0.7943 -0.7942 -0.7942 3.1779 3.1779 3.1780 3.1780 7.3648 7.3648 7.3648 7.3648 8.4353 8.4353 8.4354 8.4354 k = 0.3611 0.4861-0.0000 ( 15004 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6054 -42.6054 -4.7673 -4.7673 -4.7672 -4.7672 -2.5450 -2.5450 -2.5450 -2.5450 -2.4609 -2.4609 -2.4608 -2.4608 -2.1330 -2.1330 -2.1328 -2.1328 -0.7158 -0.7158 -0.7157 -0.7157 3.1449 3.1449 3.1450 3.1450 7.3204 7.3204 7.3204 7.3204 8.4048 8.4048 8.4050 8.4050 k = 0.3472 0.4861-0.0000 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6054 -42.6054 -4.8028 -4.8028 -4.8027 -4.8027 -2.5096 -2.5096 -2.5095 -2.5095 -2.4700 -2.4700 -2.4699 -2.4699 -2.1329 -2.1329 -2.1327 -2.1327 -0.6351 -0.6351 -0.6350 -0.6350 3.1076 3.1076 3.1077 3.1077 7.2778 7.2778 7.2778 7.2778 8.3716 8.3716 8.3718 8.3718 k = 0.3333 0.4861-0.0000 ( 14990 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -4.8386 -4.8386 -4.8385 -4.8385 -2.5575 -2.5575 -2.5575 -2.5575 -2.3914 -2.3914 -2.3913 -2.3913 -2.1326 -2.1326 -2.1324 -2.1324 -0.5526 -0.5526 -0.5525 -0.5525 3.0661 3.0661 3.0662 3.0662 7.2374 7.2374 7.2374 7.2374 8.3354 8.3354 8.3356 8.3356 k = 0.3194 0.4861-0.0000 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -4.8744 -4.8744 -4.8743 -4.8743 -2.6043 -2.6043 -2.6043 -2.6043 -2.3100 -2.3100 -2.3100 -2.3100 -2.1317 -2.1317 -2.1315 -2.1315 -0.4688 -0.4688 -0.4687 -0.4687 3.0202 3.0202 3.0203 3.0203 7.1998 7.1998 7.1998 7.1998 8.2961 8.2961 8.2962 8.2962 k = 0.3056 0.4861-0.0000 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -4.9098 -4.9098 -4.9097 -4.9097 -2.6499 -2.6499 -2.6499 -2.6499 -2.2280 -2.2280 -2.2280 -2.2280 -2.1283 -2.1283 -2.1281 -2.1281 -0.3840 -0.3840 -0.3839 -0.3839 2.9699 2.9699 2.9699 2.9699 7.1654 7.1654 7.1655 7.1655 8.2533 8.2533 8.2534 8.2534 k = 0.2917 0.4861-0.0000 ( 15004 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -4.9447 -4.9447 -4.9446 -4.9446 -2.6941 -2.6941 -2.6941 -2.6941 -2.1616 -2.1616 -2.1615 -2.1615 -2.1065 -2.1065 -2.1064 -2.1064 -0.2986 -0.2986 -0.2985 -0.2985 2.9150 2.9150 2.9151 2.9151 7.1346 7.1346 7.1346 7.1346 8.2065 8.2065 8.2067 8.2067 k = 0.2778 0.4861-0.0000 ( 15016 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -4.9788 -4.9788 -4.9787 -4.9787 -2.7367 -2.7367 -2.7367 -2.7367 -2.1446 -2.1446 -2.1444 -2.1444 -2.0331 -2.0331 -2.0330 -2.0330 -0.2129 -0.2129 -0.2128 -0.2128 2.8558 2.8558 2.8559 2.8559 7.1075 7.1075 7.1075 7.1075 8.1552 8.1552 8.1554 8.1554 k = 0.2639 0.4861-0.0000 ( 15014 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.0119 -5.0119 -5.0118 -5.0118 -2.7776 -2.7776 -2.7776 -2.7776 -2.1417 -2.1417 -2.1415 -2.1415 -1.9433 -1.9433 -1.9432 -1.9432 -0.1272 -0.1272 -0.1272 -0.1272 2.7922 2.7922 2.7923 2.7923 7.0843 7.0843 7.0843 7.0843 8.0988 8.0988 8.0989 8.0989 k = 0.2500 0.4861-0.0000 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.0439 -5.0439 -5.0438 -5.0438 -2.8167 -2.8167 -2.8167 -2.8167 -2.1409 -2.1409 -2.1407 -2.1407 -1.8496 -1.8496 -1.8496 -1.8496 -0.0420 -0.0420 -0.0419 -0.0419 2.7245 2.7245 2.7246 2.7246 7.0652 7.0652 7.0652 7.0652 8.0367 8.0367 8.0368 8.0368 k = 0.2361 0.4861-0.0000 ( 15000 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.0747 -5.0747 -5.0746 -5.0746 -2.8540 -2.8540 -2.8540 -2.8540 -2.1408 -2.1408 -2.1406 -2.1406 -1.7538 -1.7538 -1.7538 -1.7538 0.0426 0.0426 0.0426 0.0426 2.6528 2.6528 2.6529 2.6529 7.0502 7.0502 7.0502 7.0502 7.9685 7.9685 7.9686 7.9686 k = 0.2222 0.4861-0.0000 ( 15002 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.1041 -5.1041 -5.1040 -5.1040 -2.8894 -2.8894 -2.8894 -2.8894 -2.1408 -2.1408 -2.1406 -2.1406 -1.6566 -1.6566 -1.6565 -1.6565 0.1259 0.1259 0.1260 0.1260 2.5775 2.5775 2.5776 2.5776 7.0392 7.0392 7.0392 7.0392 7.8947 7.8947 7.8948 7.8948 k = 0.2083 0.4861-0.0000 ( 15016 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.1321 -5.1321 -5.1320 -5.1320 -2.9228 -2.9228 -2.9228 -2.9228 -2.1410 -2.1410 -2.1408 -2.1408 -1.5584 -1.5584 -1.5583 -1.5583 0.2078 0.2078 0.2079 0.2079 2.4989 2.4989 2.4990 2.4990 7.0321 7.0321 7.0322 7.0322 7.8158 7.8158 7.8159 7.8159 k = 0.1944 0.4861-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.1586 -5.1586 -5.1584 -5.1584 -2.9543 -2.9543 -2.9543 -2.9543 -2.1413 -2.1413 -2.1411 -2.1411 -1.4596 -1.4596 -1.4595 -1.4595 0.2877 0.2877 0.2878 0.2878 2.4175 2.4175 2.4176 2.4176 7.0288 7.0288 7.0288 7.0288 7.7332 7.7332 7.7332 7.7332 k = 0.1806 0.4861-0.0000 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.1834 -5.1834 -5.1833 -5.1833 -2.9837 -2.9837 -2.9836 -2.9836 -2.1416 -2.1416 -2.1414 -2.1414 -1.3607 -1.3607 -1.3606 -1.3606 0.3653 0.3653 0.3654 0.3654 2.3338 2.3338 2.3339 2.3339 7.0288 7.0288 7.0289 7.0289 7.6484 7.6484 7.6485 7.6485 k = 0.1667 0.4861-0.0000 ( 15014 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2066 -5.2066 -5.2065 -5.2065 -3.0110 -3.0110 -3.0109 -3.0109 -2.1419 -2.1419 -2.1417 -2.1417 -1.2622 -1.2622 -1.2621 -1.2621 0.4401 0.4401 0.4402 0.4402 2.2485 2.2485 2.2485 2.2485 7.0320 7.0320 7.0321 7.0321 7.5631 7.5631 7.5632 7.5632 k = 0.1528 0.4861-0.0000 ( 15018 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2281 -5.2281 -5.2280 -5.2280 -3.0362 -3.0362 -3.0362 -3.0362 -2.1423 -2.1423 -2.1421 -2.1421 -1.1646 -1.1646 -1.1645 -1.1645 0.5116 0.5116 0.5117 0.5117 2.1621 2.1621 2.1622 2.1622 7.0380 7.0380 7.0380 7.0380 7.4788 7.4788 7.4789 7.4789 k = 0.1389 0.4861-0.0000 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2479 -5.2479 -5.2478 -5.2478 -3.0593 -3.0593 -3.0593 -3.0593 -2.1426 -2.1426 -2.1424 -2.1424 -1.0685 -1.0685 -1.0685 -1.0685 0.5794 0.5794 0.5794 0.5794 2.0756 2.0756 2.0757 2.0757 7.0462 7.0462 7.0462 7.0462 7.3971 7.3971 7.3971 7.3971 k = 0.1250 0.4861-0.0000 ( 15014 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2659 -5.2659 -5.2658 -5.2658 -3.0802 -3.0802 -3.0802 -3.0802 -2.1429 -2.1429 -2.1427 -2.1427 -0.9749 -0.9749 -0.9748 -0.9748 0.6428 0.6428 0.6429 0.6429 1.9899 1.9899 1.9900 1.9900 7.0561 7.0561 7.0562 7.0562 7.3191 7.3191 7.3191 7.3191 k = 0.1111 0.4861-0.0000 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2820 -5.2820 -5.2819 -5.2819 -3.0990 -3.0990 -3.0990 -3.0990 -2.1432 -2.1432 -2.1430 -2.1430 -0.8845 -0.8845 -0.8844 -0.8844 0.7014 0.7014 0.7015 0.7015 1.9061 1.9061 1.9062 1.9062 7.0673 7.0673 7.0674 7.0674 7.2461 7.2461 7.2461 7.2461 k = 0.0972 0.4861-0.0000 ( 15024 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2964 -5.2964 -5.2963 -5.2963 -3.1157 -3.1157 -3.1156 -3.1156 -2.1434 -2.1434 -2.1432 -2.1432 -0.7985 -0.7985 -0.7984 -0.7984 0.7546 0.7546 0.7547 0.7547 1.8255 1.8255 1.8256 1.8256 7.0792 7.0792 7.0792 7.0792 7.1791 7.1791 7.1792 7.1792 k = 0.0833 0.4861-0.0000 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.3088 -5.3088 -5.3087 -5.3087 -3.1301 -3.1301 -3.1300 -3.1300 -2.1436 -2.1436 -2.1434 -2.1434 -0.7183 -0.7183 -0.7182 -0.7182 0.8021 0.8021 0.8021 0.8021 1.7496 1.7496 1.7497 1.7497 7.0911 7.0911 7.0911 7.0911 7.1192 7.1192 7.1192 7.1192 k = 0.0694 0.4861-0.0000 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.3194 -5.3194 -5.3193 -5.3193 -3.1423 -3.1423 -3.1423 -3.1423 -2.1438 -2.1438 -2.1436 -2.1436 -0.6455 -0.6455 -0.6454 -0.6454 0.8431 0.8431 0.8432 0.8432 1.6801 1.6801 1.6802 1.6802 7.0670 7.0670 7.0670 7.0670 7.1025 7.1025 7.1025 7.1025 k = 0.0556 0.4861-0.0000 ( 15056 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.3281 -5.3281 -5.3280 -5.3280 -3.1523 -3.1523 -3.1523 -3.1523 -2.1440 -2.1440 -2.1438 -2.1438 -0.5818 -0.5818 -0.5817 -0.5817 0.8774 0.8774 0.8775 0.8775 1.6191 1.6191 1.6191 1.6191 7.0232 7.0232 7.0232 7.0232 7.1127 7.1127 7.1128 7.1128 k = 0.0417 0.4861-0.0000 ( 15060 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.3348 -5.3348 -5.3347 -5.3347 -3.1602 -3.1602 -3.1601 -3.1601 -2.1441 -2.1441 -2.1439 -2.1439 -0.5293 -0.5293 -0.5292 -0.5292 0.9046 0.9046 0.9046 0.9046 1.5684 1.5684 1.5685 1.5685 6.9885 6.9885 6.9885 6.9885 7.1213 7.1213 7.1214 7.1214 k = 0.0278 0.4861-0.0000 ( 15080 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3397 -5.3397 -5.3396 -5.3396 -3.1657 -3.1657 -3.1657 -3.1657 -2.1442 -2.1442 -2.1440 -2.1440 -0.4899 -0.4899 -0.4899 -0.4899 0.9242 0.9242 0.9242 0.9242 1.5304 1.5304 1.5305 1.5305 6.9634 6.9634 6.9634 6.9634 7.1278 7.1278 7.1279 7.1279 k = 0.0139 0.4861-0.0000 ( 15070 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3425 -5.3425 -5.3425 -5.3425 -3.1691 -3.1691 -3.1690 -3.1690 -2.1443 -2.1443 -2.1441 -2.1441 -0.4655 -0.4655 -0.4654 -0.4654 0.9360 0.9360 0.9361 0.9361 1.5067 1.5067 1.5068 1.5068 6.9482 6.9482 6.9482 6.9482 7.1319 7.1319 7.1320 7.1320 k = 0.0000 0.4861-0.0000 ( 15068 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3435 -5.3435 -5.3434 -5.3434 -3.1702 -3.1702 -3.1702 -3.1702 -2.1443 -2.1443 -2.1441 -2.1441 -0.4572 -0.4572 -0.4571 -0.4571 0.9400 0.9400 0.9401 0.9401 1.4987 1.4987 1.4987 1.4987 6.9431 6.9431 6.9431 6.9431 7.1333 7.1333 7.1333 7.1333 k = 0.0000 0.4861-0.0000 ( 15068 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3435 -5.3435 -5.3434 -5.3434 -3.1702 -3.1702 -3.1702 -3.1702 -2.1443 -2.1443 -2.1441 -2.1441 -0.4572 -0.4572 -0.4571 -0.4571 0.9400 0.9400 0.9401 0.9401 1.4987 1.4987 1.4987 1.4987 6.9431 6.9431 6.9431 6.9431 7.1333 7.1333 7.1333 7.1333 k = 0.0000 0.4723-0.0000 ( 15084 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6102 -42.6102 -42.6097 -42.6097 -42.6058 -42.6058 -42.6053 -42.6053 -5.4161 -5.4161 -5.2689 -5.2689 -3.2432 -3.2432 -3.0956 -3.0956 -2.1874 -2.1874 -2.1001 -2.1001 -0.5426 -0.5426 -0.3698 -0.3698 0.8585 0.8585 1.0233 1.0233 1.4380 1.4380 1.5580 1.5580 6.8912 6.8912 6.9957 6.9957 7.0718 7.0718 7.1945 7.1945 k = 0.0000 0.4584-0.0000 ( 15068 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6104 -42.6104 -42.6095 -42.6095 -42.6060 -42.6060 -42.6051 -42.6051 -5.4868 -5.4868 -5.1924 -5.1924 -3.3144 -3.3144 -3.0194 -3.0194 -2.2297 -2.2297 -2.0553 -2.0553 -0.6260 -0.6260 -0.2806 -0.2806 0.7787 0.7787 1.1080 1.1080 1.3760 1.3760 1.6161 1.6161 6.8401 6.8401 7.0110 7.0110 7.0488 7.0488 7.2541 7.2541 k = 0.0000 0.4445-0.0000 ( 15046 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6106 -42.6106 -42.6093 -42.6093 -42.6062 -42.6062 -42.6049 -42.6049 -5.5554 -5.5554 -5.1141 -5.1141 -3.3840 -3.3840 -2.9416 -2.9416 -2.2711 -2.2711 -2.0098 -2.0098 -0.7074 -0.7074 -0.1896 -0.1896 0.7007 0.7007 1.1942 1.1942 1.3127 1.3127 1.6728 1.6728 6.7901 6.7901 6.9516 6.9516 7.1019 7.1019 7.3103 7.3103 k = 0.0000 0.4306-0.0000 ( 15040 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6108 -42.6108 -42.6090 -42.6090 -42.6064 -42.6064 -42.6047 -42.6047 -5.6220 -5.6220 -5.0338 -5.0338 -3.4517 -3.4517 -2.8625 -2.8625 -2.3115 -2.3115 -1.9635 -1.9635 -0.7866 -0.7866 -0.0970 -0.0970 0.6246 0.6246 1.2479 1.2479 1.2818 1.2818 1.7283 1.7283 6.7409 6.7409 6.8939 6.8939 7.1545 7.1545 7.3608 7.3608 k = 0.0000 0.4167-0.0000 ( 15036 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6111 -42.6111 -42.6088 -42.6088 -42.6066 -42.6066 -42.6045 -42.6045 -5.6867 -5.6867 -4.9517 -4.9517 -3.5176 -3.5176 -2.7821 -2.7821 -2.3508 -2.3508 -1.9167 -1.9167 -0.8636 -0.8636 -0.0028 -0.0028 0.5504 0.5504 1.1817 1.1817 1.3705 1.3705 1.7826 1.7826 6.6928 6.6928 6.8385 6.8385 7.2058 7.2058 7.4020 7.4020 k = 0.0000 0.4028-0.0000 ( 15040 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6113 -42.6113 -42.6086 -42.6086 -42.6068 -42.6068 -42.6043 -42.6043 -5.7494 -5.7494 -4.8678 -4.8678 -3.5817 -3.5817 -2.7003 -2.7003 -2.3891 -2.3891 -1.8694 -1.8694 -0.9385 -0.9385 0.0928 0.0928 0.4783 0.4783 1.1141 1.1141 1.4602 1.4602 1.8355 1.8355 6.6459 6.6459 6.7857 6.7857 7.2544 7.2544 7.4298 7.4298 k = 0.0000 0.3889-0.0000 ( 15036 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6115 -42.6115 -42.6084 -42.6084 -42.6070 -42.6070 -42.6041 -42.6041 -5.8100 -5.8100 -4.7820 -4.7820 -3.6438 -3.6438 -2.6175 -2.6175 -2.4263 -2.4263 -1.8217 -1.8217 -1.0110 -1.0110 0.1896 0.1896 0.4083 0.4083 1.0451 1.0451 1.5508 1.5508 1.8872 1.8872 6.6000 6.6000 6.7357 6.7357 7.2977 7.2977 7.4394 7.4394 k = 0.0000 0.3750-0.0000 ( 15038 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6117 -42.6117 -42.6082 -42.6082 -42.6072 -42.6072 -42.6039 -42.6039 -5.8685 -5.8685 -4.6946 -4.6946 -3.7040 -3.7040 -2.5336 -2.5336 -2.4623 -2.4623 -1.7737 -1.7737 -1.0813 -1.0813 0.2874 0.2874 0.3404 0.3404 0.9748 0.9748 1.6421 1.6421 1.9376 1.9376 6.5551 6.5551 6.6889 6.6889 7.3311 7.3311 7.4273 7.4273 k = 0.0000 0.3611-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6119 -42.6119 -42.6079 -42.6079 -42.6074 -42.6074 -42.6037 -42.6037 -5.9250 -5.9250 -4.6054 -4.6054 -3.7622 -3.7622 -2.4972 -2.4972 -2.4488 -2.4488 -1.7255 -1.7255 -1.1493 -1.1493 0.2747 0.2747 0.3855 0.3855 0.9035 0.9035 1.7339 1.7339 1.9867 1.9867 6.5114 6.5114 6.6453 6.6453 7.3482 7.3482 7.3929 7.3929 k = 0.0000 0.3472-0.0000 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6121 -42.6121 -42.6077 -42.6077 -42.6076 -42.6076 -42.6035 -42.6035 -5.9794 -5.9794 -4.5145 -4.5145 -3.8184 -3.8184 -2.5309 -2.5309 -2.3632 -2.3632 -1.6772 -1.6772 -1.2148 -1.2148 0.2112 0.2112 0.4829 0.4829 0.8322 0.8322 1.8259 1.8259 2.0345 2.0345 6.4687 6.4687 6.6052 6.6052 7.3387 7.3387 7.3447 7.3447 k = 0.0000 0.3334-0.0000 ( 15026 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6123 -42.6123 -42.6078 -42.6078 -42.6075 -42.6075 -42.6033 -42.6033 -6.0317 -6.0317 -4.4220 -4.4220 -3.8726 -3.8726 -2.5635 -2.5635 -2.2769 -2.2769 -1.6289 -1.6289 -1.2780 -1.2780 0.1499 0.1499 0.5744 0.5744 0.7658 0.7658 1.9178 1.9178 2.0808 2.0808 6.4269 6.4269 6.5687 6.5687 7.2696 7.2696 7.3233 7.3233 k = 0.0000 0.3195-0.0000 ( 15032 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6125 -42.6125 -42.6080 -42.6080 -42.6074 -42.6074 -42.6031 -42.6031 -6.0819 -6.0819 -4.3279 -4.3279 -3.9247 -3.9247 -2.5948 -2.5948 -2.1902 -2.1902 -1.5807 -1.5807 -1.3388 -1.3388 0.0909 0.0909 0.6212 0.6212 0.7430 0.7430 2.0095 2.0095 2.1257 2.1257 6.3858 6.3858 6.5360 6.5360 7.1904 7.1904 7.2905 7.2905 k = 0.0000 0.3056-0.0000 ( 15024 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6127 -42.6127 -42.6081 -42.6081 -42.6072 -42.6072 -42.6030 -42.6030 -6.1300 -6.1300 -4.2323 -4.2323 -3.9746 -3.9746 -2.6248 -2.6248 -2.1032 -2.1032 -1.5329 -1.5329 -1.3971 -1.3971 0.0343 0.0343 0.5719 0.5719 0.8149 0.8149 2.1006 2.1006 2.1692 2.1692 6.3454 6.3454 6.5071 6.5071 7.1055 7.1055 7.2520 7.2520 k = 0.0000 0.2917-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6129 -42.6129 -42.6083 -42.6083 -42.6070 -42.6070 -42.6028 -42.6028 -6.1761 -6.1761 -4.1352 -4.1352 -4.0226 -4.0226 -2.6536 -2.6536 -2.0160 -2.0160 -1.4856 -1.4856 -1.4529 -1.4529 -0.0200 -0.0200 0.4968 0.4968 0.9108 0.9108 2.1908 2.1908 2.2111 2.2111 6.3055 6.3055 6.4821 6.4821 7.0181 7.0181 7.2111 7.2111 k = 0.0000 0.2778-0.0000 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6131 -42.6131 -42.6085 -42.6085 -42.6068 -42.6068 -42.6026 -42.6026 -6.2200 -6.2200 -4.0684 -4.0684 -4.0367 -4.0367 -2.6811 -2.6811 -1.9290 -1.9290 -1.5063 -1.5063 -1.4389 -1.4389 -0.0719 -0.0719 0.4159 0.4159 1.0107 1.0107 2.2515 2.2515 2.2796 2.2796 6.2657 6.2657 6.4613 6.4613 6.9307 6.9307 7.1695 7.1695 k = 0.0000 0.2639-0.0000 ( 15018 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6133 -42.6133 -42.6087 -42.6087 -42.6066 -42.6066 -42.6024 -42.6024 -6.2618 -6.2618 -4.1120 -4.1120 -3.9368 -3.9368 -2.7074 -2.7074 -1.8423 -1.8423 -1.5571 -1.5571 -1.3930 -1.3930 -0.1214 -0.1214 0.3321 0.3321 1.1113 1.1113 2.2902 2.2902 2.3668 2.3668 6.2260 6.2260 6.4446 6.4446 6.8453 6.8453 7.1284 7.1284 k = 0.0000 0.2500-0.0000 ( 15016 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6135 -42.6135 -42.6088 -42.6088 -42.6065 -42.6065 -42.6023 -42.6023 -6.3016 -6.3016 -4.1535 -4.1535 -3.8357 -3.8357 -2.7323 -2.7323 -1.7562 -1.7562 -1.6055 -1.6055 -1.3482 -1.3482 -0.1685 -0.1685 0.2461 0.2461 1.2117 1.2117 2.3272 2.3272 2.4517 2.4517 6.1860 6.1860 6.4320 6.4320 6.7631 6.7631 7.0883 7.0883 k = 0.0000 0.2361-0.0000 ( 15012 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6136 -42.6136 -42.6090 -42.6090 -42.6063 -42.6063 -42.6021 -42.6021 -6.3391 -6.3391 -4.1928 -4.1928 -3.7334 -3.7334 -2.7560 -2.7560 -1.6710 -1.6710 -1.6512 -1.6512 -1.3047 -1.3047 -0.2131 -0.2131 0.1584 0.1584 1.3112 1.3112 2.3625 2.3625 2.5341 2.5341 6.1455 6.1455 6.4237 6.4237 6.6855 6.6855 7.0497 7.0497 k = 0.0000 0.2222-0.0000 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6138 -42.6138 -42.6091 -42.6091 -42.6061 -42.6061 -42.6020 -42.6020 -6.3745 -6.3745 -4.2300 -4.2300 -3.6301 -3.6301 -2.7783 -2.7783 -1.6945 -1.6945 -1.5871 -1.5871 -1.2628 -1.2628 -0.2553 -0.2553 0.0692 0.0692 1.4093 1.4093 2.3960 2.3960 2.6134 2.6134 6.1041 6.1041 6.4197 6.4197 6.6133 6.6133 7.0126 7.0126 k = 0.0000 0.2083-0.0000 ( 15002 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6139 -42.6139 -42.6092 -42.6092 -42.6060 -42.6060 -42.6019 -42.6019 -6.4078 -6.4078 -4.2650 -4.2650 -3.5257 -3.5257 -2.7993 -2.7993 -1.7352 -1.7352 -1.5046 -1.5046 -1.2228 -1.2228 -0.2950 -0.2950 -0.0212 -0.0212 1.5054 1.5054 2.4277 2.4277 2.6890 2.6890 6.0619 6.0619 6.4200 6.4200 6.5473 6.5473 6.9775 6.9775 k = 0.0000 0.1945-0.0000 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6141 -42.6141 -42.6094 -42.6094 -42.6059 -42.6059 -42.6018 -42.6018 -6.4390 -6.4390 -4.2977 -4.2977 -3.4207 -3.4207 -2.8190 -2.8190 -1.7733 -1.7733 -1.4242 -1.4242 -1.1852 -1.1852 -0.3322 -0.3322 -0.1124 -0.1124 1.5992 1.5992 2.4574 2.4574 2.7606 2.7606 6.0187 6.0187 6.4244 6.4244 6.4882 6.4882 6.9442 6.9442 k = 0.0000 0.1806-0.0000 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6142 -42.6142 -42.6095 -42.6095 -42.6057 -42.6057 -42.6016 -42.6016 -6.4681 -6.4681 -4.3283 -4.3283 -3.3149 -3.3149 -2.8373 -2.8373 -1.8088 -1.8088 -1.3460 -1.3460 -1.1505 -1.1505 -0.3669 -0.3669 -0.2039 -0.2039 1.6900 1.6900 2.4853 2.4853 2.8276 2.8276 5.9749 5.9749 6.4331 6.4331 6.4367 6.4367 6.9130 6.9130 k = 0.0000 0.1667-0.0000 ( 15002 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6143 -42.6143 -42.6096 -42.6096 -42.6056 -42.6056 -42.6015 -42.6015 -6.4950 -6.4950 -4.3565 -4.3565 -3.2087 -3.2087 -2.8543 -2.8543 -1.8417 -1.8417 -1.2706 -1.2706 -1.1193 -1.1193 -0.3990 -0.3990 -0.2950 -0.2950 1.7772 1.7772 2.5111 2.5111 2.8897 2.8897 5.9310 5.9310 6.3931 6.3931 6.4459 6.4459 6.8840 6.8840 k = 0.0000 0.1528-0.0000 ( 14994 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6144 -42.6144 -42.6097 -42.6097 -42.6055 -42.6055 -42.6014 -42.6014 -6.5197 -6.5197 -4.3826 -4.3826 -3.1022 -3.1022 -2.8700 -2.8700 -1.8720 -1.8720 -1.1985 -1.1985 -1.0929 -1.0929 -0.4287 -0.4287 -0.3845 -0.3845 1.8604 1.8604 2.5349 2.5349 2.9463 2.9463 5.8872 5.8872 6.3578 6.3578 6.4626 6.4626 6.8571 6.8571 k = 0.0000 0.1389-0.0000 ( 14997 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6145 -42.6145 -42.6098 -42.6098 -42.6054 -42.6054 -42.6013 -42.6013 -6.5423 -6.5423 -4.4064 -4.4064 -2.9958 -2.9958 -2.8843 -2.8843 -1.8997 -1.8997 -1.1301 -1.1301 -1.0727 -1.0727 -0.4708 -0.4708 -0.4557 -0.4557 1.9389 1.9389 2.5567 2.5567 2.9973 2.9973 5.8443 5.8443 6.3312 6.3312 6.4832 6.4832 6.8325 6.8325 k = 0.0000 0.1250-0.0000 ( 15001 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6146 -42.6146 -42.6099 -42.6099 -42.6053 -42.6053 -42.6012 -42.6012 -6.5628 -6.5628 -4.4279 -4.4279 -2.8973 -2.8973 -2.8898 -2.8898 -1.9248 -1.9248 -1.0659 -1.0659 -1.0612 -1.0612 -0.5511 -0.5511 -0.4803 -0.4803 2.0121 2.0121 2.5765 2.5765 3.0424 3.0424 5.8032 5.8032 6.3134 6.3134 6.5072 6.5072 6.8101 6.8101 k = 0.0000 0.1111-0.0000 ( 15011 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6147 -42.6147 -42.6100 -42.6100 -42.6052 -42.6052 -42.6012 -42.6012 -6.5811 -6.5811 -4.4473 -4.4473 -2.9089 -2.9089 -2.7848 -2.7848 -1.9472 -1.9472 -1.0623 -1.0623 -1.0066 -1.0066 -0.6214 -0.6214 -0.5023 -0.5023 2.0794 2.0794 2.5942 2.5942 3.0816 3.0816 5.7645 5.7645 6.3044 6.3044 6.5344 6.5344 6.7900 6.7900 k = 0.0000 0.0972-0.0000 ( 15009 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6148 -42.6148 -42.6101 -42.6101 -42.6052 -42.6052 -42.6011 -42.6011 -6.5973 -6.5973 -4.4643 -4.4643 -2.9191 -2.9191 -2.6813 -2.6813 -1.9671 -1.9671 -1.0802 -1.0802 -0.9525 -0.9525 -0.6768 -0.6768 -0.5217 -0.5217 2.1403 2.1403 2.6098 2.6098 3.1150 3.1150 5.7292 5.7292 6.3038 6.3038 6.5643 6.5643 6.7722 6.7722 k = 0.0000 0.0833-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6148 -42.6148 -42.6101 -42.6101 -42.6051 -42.6051 -42.6010 -42.6010 -6.6113 -6.6113 -4.4791 -4.4791 -2.9280 -2.9280 -2.5804 -2.5804 -1.9843 -1.9843 -1.1172 -1.1172 -0.9044 -0.9044 -0.7143 -0.7143 -0.5385 -0.5385 2.1942 2.1942 2.6233 2.6233 3.1428 3.1428 5.6976 5.6976 6.3110 6.3110 6.5961 6.5961 6.7567 6.7567 k = 0.0000 0.0694-0.0000 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6149 -42.6149 -42.6102 -42.6102 -42.6050 -42.6050 -42.6010 -42.6010 -6.6232 -6.6232 -4.4917 -4.4917 -2.9355 -2.9355 -2.4834 -2.4834 -1.9988 -1.9988 -1.1705 -1.1705 -0.8626 -0.8626 -0.7353 -0.7353 -0.5527 -0.5527 2.2407 2.2407 2.6348 2.6348 3.1653 3.1653 5.6705 5.6705 6.3249 6.3249 6.6290 6.6290 6.7436 6.7436 k = 0.0000 0.0556-0.0000 ( 15017 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6102 -42.6102 -42.6050 -42.6050 -42.6010 -42.6010 -6.6329 -6.6329 -4.5019 -4.5019 -2.9417 -2.9417 -2.3925 -2.3925 -2.0107 -2.0107 -1.2330 -1.2330 -0.8276 -0.8276 -0.7451 -0.7451 -0.5644 -0.5644 2.2793 2.2793 2.6441 2.6441 3.1829 3.1829 5.6479 5.6479 6.3438 6.3438 6.6614 6.6614 6.7329 6.7329 k = 0.0000 0.0417-0.0000 ( 15025 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6102 -42.6102 -42.6050 -42.6050 -42.6009 -42.6009 -6.6405 -6.6405 -4.5099 -4.5099 -2.9464 -2.9464 -2.3111 -2.3111 -2.0200 -2.0200 -1.2963 -1.2963 -0.8000 -0.8000 -0.7486 -0.7486 -0.5735 -0.5735 2.3097 2.3097 2.6514 2.6514 3.1960 3.1960 5.6301 5.6301 6.3651 6.3651 6.6915 6.6915 6.7245 6.7245 k = 0.0000 0.0278-0.0000 ( 15033 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6459 -6.6459 -4.5156 -4.5156 -2.9499 -2.9499 -2.2443 -2.2443 -2.0266 -2.0266 -1.3521 -1.3521 -0.7799 -0.7799 -0.7491 -0.7491 -0.5800 -0.5800 2.3317 2.3317 2.6566 2.6566 3.2050 3.2050 5.6174 5.6174 6.3852 6.3852 6.7166 6.7166 6.7186 6.7186 k = 0.0000 0.0139-0.0000 ( 15019 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6491 -6.6491 -4.5189 -4.5189 -2.9519 -2.9519 -2.1992 -2.1992 -2.0306 -2.0306 -1.3912 -1.3912 -0.7678 -0.7678 -0.7488 -0.7488 -0.5838 -0.5838 2.3449 2.3449 2.6597 2.6597 3.2103 3.2103 5.6097 5.6097 6.3999 6.3999 6.7149 6.7149 6.7337 6.7337 k = 0.0000 0.0000 0.0000 ( 15023 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6151 -42.6151 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6502 -6.6502 -4.5201 -4.5201 -2.9526 -2.9526 -2.1830 -2.1830 -2.0319 -2.0319 -1.4054 -1.4054 -0.7637 -0.7637 -0.7486 -0.7486 -0.5851 -0.5851 2.3493 2.3493 2.6607 2.6607 3.2120 3.2120 5.6072 5.6072 6.4053 6.4053 6.7137 6.7137 6.7397 6.7397 k = 0.0000 0.0000 0.0000 ( 15023 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6151 -42.6151 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6502 -6.6502 -4.5201 -4.5201 -2.9526 -2.9526 -2.1830 -2.1830 -2.0319 -2.0319 -1.4054 -1.4054 -0.7637 -0.7637 -0.7486 -0.7486 -0.5851 -0.5851 2.3493 2.3493 2.6607 2.6607 3.2120 3.2120 5.6072 5.6072 6.4053 6.4053 6.7137 6.7137 6.7397 6.7397 k = 0.0000 0.0000 0.0140 ( 15031 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6491 -6.6491 -4.5272 -4.5272 -2.9434 -2.9434 -2.1821 -2.1821 -2.0309 -2.0309 -1.4052 -1.4052 -0.7654 -0.7654 -0.7493 -0.7493 -0.5872 -0.5872 2.3507 2.3507 2.6534 2.6534 3.2114 3.2114 5.6094 5.6094 6.4069 6.4069 6.7044 6.7044 6.7409 6.7409 k = 0.0000 0.0000 0.0280 ( 15037 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6458 -6.6458 -4.5478 -4.5478 -2.9162 -2.9162 -2.1793 -2.1793 -2.0277 -2.0277 -1.4045 -1.4045 -0.7705 -0.7705 -0.7512 -0.7512 -0.5935 -0.5935 2.3547 2.3547 2.6315 2.6315 3.2097 3.2097 5.6159 5.6159 6.4118 6.4118 6.6808 6.6808 6.7445 6.7445 k = 0.0000 0.0000 0.0420 ( 15037 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6103 -42.6103 -42.6049 -42.6049 -42.6009 -42.6009 -6.6404 -6.6404 -4.5807 -4.5807 -2.8725 -2.8725 -2.1746 -2.1746 -2.0224 -2.0224 -1.4035 -1.4035 -0.7788 -0.7788 -0.7544 -0.7544 -0.6039 -0.6039 2.3614 2.3614 2.5952 2.5952 3.2067 3.2067 5.6271 5.6271 6.4199 6.4199 6.6524 6.6524 6.7505 6.7505 k = 0.0000 0.0000 0.0560 ( 15039 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6150 -42.6150 -42.6104 -42.6104 -42.6049 -42.6049 -42.6010 -42.6010 -6.6327 -6.6327 -4.6240 -4.6240 -2.8141 -2.8141 -2.1681 -2.1681 -2.0151 -2.0151 -1.4021 -1.4021 -0.7902 -0.7902 -0.7589 -0.7589 -0.6183 -0.6183 2.3707 2.3707 2.5451 2.5451 3.2026 3.2026 5.6427 5.6427 6.4312 6.4312 6.6268 6.6268 6.7588 6.7588 k = 0.0000 0.0000 0.0700 ( 15025 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6149 -42.6149 -42.6104 -42.6104 -42.6048 -42.6048 -42.6010 -42.6010 -6.6229 -6.6229 -4.6757 -4.6757 -2.7429 -2.7429 -2.1597 -2.1597 -2.0056 -2.0056 -1.4003 -1.4003 -0.8046 -0.8046 -0.7646 -0.7646 -0.6365 -0.6365 2.3824 2.3824 2.4817 2.4817 3.1974 3.1974 5.6629 5.6629 6.4459 6.4459 6.6092 6.6092 6.7696 6.7696 k = 0.0000 0.0000 0.0840 ( 15037 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6149 -42.6149 -42.6105 -42.6105 -42.6048 -42.6048 -42.6010 -42.6010 -6.6110 -6.6110 -4.7340 -4.7340 -2.6609 -2.6609 -2.1495 -2.1495 -1.9940 -1.9940 -1.3983 -1.3983 -0.8216 -0.8216 -0.7715 -0.7715 -0.6584 -0.6584 2.3964 2.3964 2.4059 2.4059 3.1909 3.1909 5.6872 5.6872 6.4638 6.4638 6.6023 6.6023 6.7827 6.7827 k = 0.0000 0.0000 0.0980 ( 15043 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6148 -42.6148 -42.6105 -42.6105 -42.6047 -42.6047 -42.6011 -42.6011 -6.5969 -6.5969 -4.7971 -4.7971 -2.5698 -2.5698 -2.1375 -2.1375 -1.9804 -1.9804 -1.3963 -1.3963 -0.8409 -0.8409 -0.7795 -0.7795 -0.6837 -0.6837 2.3185 2.3185 2.4126 2.4126 3.1833 3.1833 5.7158 5.7158 6.4850 6.4850 6.6075 6.6075 6.7981 6.7981 k = 0.0000 0.0000 0.1120 ( 15021 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6147 -42.6147 -42.6106 -42.6106 -42.6047 -42.6047 -42.6011 -42.6011 -6.5805 -6.5805 -4.8637 -4.8637 -2.4710 -2.4710 -2.1237 -2.1237 -1.9646 -1.9646 -1.3943 -1.3943 -0.8622 -0.8622 -0.7886 -0.7886 -0.7122 -0.7122 2.2206 2.2206 2.4306 2.4306 3.1745 3.1745 5.7486 5.7486 6.5095 6.5095 6.6253 6.6253 6.8159 6.8159 k = 0.0000 0.0000 0.1260 ( 15017 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6147 -42.6147 -42.6107 -42.6107 -42.6046 -42.6046 -42.6012 -42.6012 -6.5621 -6.5621 -4.9327 -4.9327 -2.3657 -2.3657 -2.1082 -2.1082 -1.9468 -1.9468 -1.3926 -1.3926 -0.8851 -0.8851 -0.7987 -0.7987 -0.7436 -0.7436 2.1132 2.1132 2.4505 2.4505 3.1646 3.1646 5.7854 5.7854 6.5374 6.5374 6.6558 6.6558 6.8360 6.8360 k = 0.0000 0.0000 0.1400 ( 15017 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6146 -42.6146 -42.6107 -42.6107 -42.6045 -42.6045 -42.6013 -42.6013 -6.5414 -6.5414 -5.0031 -5.0031 -2.2549 -2.2549 -2.0909 -2.0909 -1.9267 -1.9267 -1.3915 -1.3915 -0.9089 -0.9089 -0.8097 -0.8097 -0.7777 -0.7777 1.9973 1.9973 2.4719 2.4719 3.1535 3.1535 5.8261 5.8261 6.5686 6.5686 6.6987 6.6987 6.8584 6.8584 k = 0.0000 0.0000 0.1540 ( 15023 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6145 -42.6145 -42.6108 -42.6108 -42.6045 -42.6045 -42.6013 -42.6013 -6.5186 -6.5186 -5.0743 -5.0743 -2.1396 -2.1396 -2.0720 -2.0720 -1.9043 -1.9043 -1.3913 -1.3913 -0.9331 -0.9331 -0.8216 -0.8216 -0.8142 -0.8142 1.8740 1.8740 2.4946 2.4946 3.1412 3.1412 5.8706 5.8706 6.6033 6.6033 6.7534 6.7534 6.8831 6.8831 k = 0.0000 0.0000 0.1680 ( 15012 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6144 -42.6144 -42.6109 -42.6109 -42.6044 -42.6044 -42.6014 -42.6014 -6.4937 -6.4937 -5.1457 -5.1457 -2.0514 -2.0514 -2.0212 -2.0212 -1.8786 -1.8786 -1.3925 -1.3925 -0.9572 -0.9572 -0.8528 -0.8528 -0.8342 -0.8342 1.7444 1.7444 2.5185 2.5185 3.1278 3.1278 5.9188 5.9188 6.6414 6.6414 6.8192 6.8192 6.9101 6.9101 k = 0.0000 0.0000 0.1820 ( 15030 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6143 -42.6143 -42.6110 -42.6110 -42.6043 -42.6043 -42.6015 -42.6015 -6.4666 -6.4666 -5.2170 -5.2170 -2.0292 -2.0292 -1.9071 -1.9071 -1.8429 -1.8429 -1.3955 -1.3955 -0.9802 -0.9802 -0.8932 -0.8932 -0.8475 -0.8475 1.6093 1.6093 2.5434 2.5434 3.1134 3.1134 5.9704 5.9704 6.6830 6.6830 6.8954 6.8954 6.9393 6.9393 k = 0.0000 0.0000 0.1960 ( 15014 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6142 -42.6142 -42.6111 -42.6111 -42.6042 -42.6042 -42.6016 -42.6016 -6.4373 -6.4373 -5.2877 -5.2877 -2.0054 -2.0054 -1.8418 -1.8418 -1.7529 -1.7529 -1.4010 -1.4010 -1.0014 -1.0014 -0.9351 -0.9351 -0.8614 -0.8614 1.4697 1.4697 2.5691 2.5691 3.0978 3.0978 6.0255 6.0255 6.7281 6.7281 6.9706 6.9706 6.9812 6.9812 k = 0.0000 0.0000 0.2100 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6141 -42.6141 -42.6113 -42.6113 -42.6041 -42.6041 -42.6017 -42.6017 -6.4059 -6.4059 -5.3576 -5.3576 -1.9802 -1.9802 -1.8075 -1.8075 -1.6270 -1.6270 -1.4095 -1.4095 -1.0200 -1.0200 -0.9784 -0.9784 -0.8758 -0.8758 1.3263 1.3263 2.5955 2.5955 3.0812 3.0812 6.0836 6.0836 6.7769 6.7769 7.0041 7.0041 7.0754 7.0754 k = 0.0000 0.0000 0.2240 ( 15022 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6139 -42.6139 -42.6114 -42.6114 -42.6040 -42.6040 -42.6018 -42.6018 -6.3723 -6.3723 -5.4264 -5.4264 -1.9535 -1.9535 -1.7752 -1.7752 -1.4943 -1.4943 -1.4215 -1.4215 -1.0353 -1.0353 -1.0226 -1.0226 -0.8905 -0.8905 1.1798 1.1798 2.6223 2.6223 3.0635 3.0635 6.1447 6.1447 6.8292 6.8292 7.0397 7.0397 7.1769 7.1769 k = 0.0000 0.0000 0.2380 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6138 -42.6138 -42.6115 -42.6115 -42.6039 -42.6039 -42.6019 -42.6019 -6.3367 -6.3367 -5.4940 -5.4940 -1.9255 -1.9255 -1.7422 -1.7422 -1.4374 -1.4374 -1.3581 -1.3581 -1.0677 -1.0677 -1.0468 -1.0468 -0.9055 -0.9055 1.0310 1.0310 2.6494 2.6494 3.0448 3.0448 6.2086 6.2086 6.8853 6.8853 7.0774 7.0774 7.2837 7.2837 k = 0.0000 0.0000 0.2521 ( 15004 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6137 -42.6137 -42.6117 -42.6117 -42.6038 -42.6038 -42.6020 -42.6020 -6.2990 -6.2990 -5.5602 -5.5602 -1.8963 -1.8963 -1.7078 -1.7078 -1.4571 -1.4571 -1.2191 -1.2191 -1.1132 -1.1132 -1.0543 -1.0543 -0.9207 -0.9207 0.8802 0.8802 2.6767 2.6767 3.0252 3.0252 6.2748 6.2748 6.9450 6.9450 7.1170 7.1170 7.3193 7.3193 k = 0.0000 0.0000 0.2661 ( 15012 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6135 -42.6135 -42.6118 -42.6118 -42.6037 -42.6037 -42.6022 -42.6022 -6.2591 -6.2591 -5.6249 -5.6249 -1.8659 -1.8659 -1.6720 -1.6720 -1.4805 -1.4805 -1.1591 -1.1591 -1.0776 -1.0776 -1.0580 -1.0580 -0.9359 -0.9359 0.7282 0.7282 2.7041 2.7041 3.0046 3.0046 6.3433 6.3433 7.0084 7.0084 7.1585 7.1585 7.2487 7.2487 k = 0.0000 0.0000 0.2801 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6134 -42.6134 -42.6119 -42.6119 -42.6035 -42.6035 -42.6023 -42.6023 -6.2172 -6.2172 -5.6880 -5.6880 -1.8344 -1.8344 -1.6349 -1.6349 -1.5070 -1.5070 -1.2051 -1.2051 -1.0581 -1.0581 -0.9511 -0.9511 -0.9340 -0.9340 0.5752 0.5752 2.7315 2.7315 2.9831 2.9831 6.4137 6.4137 7.0753 7.0753 7.1746 7.1746 7.2017 7.2017 k = 0.0000 0.0000 0.2941 ( 15026 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6132 -42.6132 -42.6121 -42.6121 -42.6034 -42.6034 -42.6024 -42.6024 -6.1732 -6.1732 -5.7493 -5.7493 -1.8021 -1.8021 -1.5964 -1.5964 -1.5361 -1.5361 -1.2511 -1.2511 -1.0550 -1.0550 -0.9660 -0.9660 -0.7885 -0.7885 0.4217 0.4217 2.7587 2.7587 2.9608 2.9608 6.4860 6.4860 7.0985 7.0985 7.1455 7.1455 7.2467 7.2467 k = 0.0000 0.0000 0.3081 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6131 -42.6131 -42.6122 -42.6122 -42.6033 -42.6033 -42.6025 -42.6025 -6.1271 -6.1271 -5.8090 -5.8090 -1.7690 -1.7690 -1.5672 -1.5672 -1.5566 -1.5566 -1.2967 -1.2967 -1.0492 -1.0492 -0.9805 -0.9805 -0.6412 -0.6412 0.2681 0.2681 2.7856 2.7856 2.9377 2.9377 6.5598 6.5598 7.0212 7.0212 7.2185 7.2185 7.2931 7.2931 k = 0.0000 0.0000 0.3221 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6130 -42.6130 -42.6124 -42.6124 -42.6032 -42.6032 -42.6027 -42.6027 -6.0790 -6.0790 -5.8668 -5.8668 -1.7353 -1.7353 -1.5997 -1.5997 -1.5156 -1.5156 -1.3420 -1.3420 -1.0412 -1.0412 -0.9945 -0.9945 -0.4923 -0.4923 0.1146 0.1146 2.8123 2.8123 2.9139 2.9139 6.6349 6.6349 6.9434 6.9434 7.2926 7.2926 7.3407 7.3407 k = 0.0000 0.0000 0.3361 ( 15022 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6128 -42.6128 -42.6125 -42.6125 -42.6030 -42.6030 -42.6028 -42.6028 -6.0289 -6.0289 -5.9228 -5.9228 -1.7013 -1.7013 -1.6331 -1.6331 -1.4736 -1.4736 -1.3866 -1.3866 -1.0315 -1.0315 -1.0079 -1.0079 -0.3421 -0.3421 -0.0384 -0.0384 2.8385 2.8385 2.8893 2.8893 6.7110 6.7110 6.8655 6.8655 7.3630 7.3630 7.3893 7.3893 k = 0.0000 0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6127 -42.6127 -42.6127 -42.6127 -42.6029 -42.6029 -42.6029 -42.6029 -5.9768 -5.9768 -5.9768 -5.9768 -1.6671 -1.6671 -1.6671 -1.6671 -1.4305 -1.4305 -1.4305 -1.4305 -1.0202 -1.0202 -1.0202 -1.0202 -0.1907 -0.1907 -0.1907 -0.1907 2.8642 2.8642 2.8642 2.8642 6.7880 6.7880 6.7880 6.7880 7.4159 7.4159 7.4159 7.4159 k = 0.0000 0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6127 -42.6127 -42.6127 -42.6127 -42.6029 -42.6029 -42.6029 -42.6029 -5.9768 -5.9768 -5.9768 -5.9768 -1.6671 -1.6671 -1.6671 -1.6671 -1.4305 -1.4305 -1.4305 -1.4305 -1.0202 -1.0202 -1.0202 -1.0202 -0.1907 -0.1907 -0.1907 -0.1907 2.8642 2.8642 2.8642 2.8642 6.7880 6.7880 6.7880 6.7880 7.4159 7.4159 7.4159 7.4159 k = 0.0139-0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6127 -42.6127 -42.6127 -42.6127 -42.6029 -42.6029 -42.6029 -42.6029 -5.9757 -5.9757 -5.9757 -5.9757 -1.6696 -1.6696 -1.6696 -1.6696 -1.4446 -1.4446 -1.4445 -1.4445 -1.0047 -1.0047 -1.0047 -1.0047 -0.1904 -0.1904 -0.1904 -0.1904 2.8609 2.8609 2.8609 2.8609 6.7862 6.7862 6.7862 6.7862 7.3412 7.3412 7.3415 7.3415 k = 0.0278-0.0000 0.3501 ( 15026 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6029 -42.6029 -42.6029 -42.6029 -5.9725 -5.9725 -5.9725 -5.9725 -1.6793 -1.6793 -1.6792 -1.6792 -1.4787 -1.4787 -1.4786 -1.4786 -0.9641 -0.9641 -0.9640 -0.9640 -0.1893 -0.1893 -0.1893 -0.1893 2.8512 2.8512 2.8512 2.8512 6.7810 6.7810 6.7810 6.7810 7.2580 7.2580 7.2582 7.2582 k = 0.0417-0.0000 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6030 -42.6030 -42.6030 -42.6030 -5.9672 -5.9672 -5.9672 -5.9672 -1.7026 -1.7026 -1.7025 -1.7025 -1.5155 -1.5155 -1.5153 -1.5153 -0.9090 -0.9090 -0.9089 -0.9089 -0.1876 -0.1876 -0.1876 -0.1876 2.8349 2.8349 2.8349 2.8349 6.7726 6.7726 6.7726 6.7726 7.1823 7.1823 7.1824 7.1824 k = 0.0556-0.0000 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6030 -42.6030 -42.6030 -42.6030 -5.9597 -5.9597 -5.9597 -5.9597 -1.7475 -1.7475 -1.7474 -1.7474 -1.5394 -1.5394 -1.5392 -1.5392 -0.8471 -0.8471 -0.8471 -0.8471 -0.1851 -0.1851 -0.1851 -0.1851 2.8121 2.8121 2.8121 2.8121 6.7612 6.7612 6.7613 6.7613 7.1161 7.1161 7.1162 7.1162 k = 0.0694-0.0000 0.3501 ( 15040 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6125 -42.6125 -42.6125 -42.6125 -42.6030 -42.6030 -42.6030 -42.6030 -5.9501 -5.9501 -5.9501 -5.9501 -1.8130 -1.8130 -1.8129 -1.8129 -1.5472 -1.5472 -1.5470 -1.5470 -0.7829 -0.7829 -0.7828 -0.7828 -0.1818 -0.1818 -0.1818 -0.1818 2.7828 2.7828 2.7828 2.7828 6.7475 6.7475 6.7476 6.7476 7.0599 7.0599 7.0599 7.0599 k = 0.0833-0.0000 0.3501 ( 15038 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6125 -42.6125 -42.6125 -42.6125 -42.6031 -42.6031 -42.6031 -42.6031 -5.9384 -5.9384 -5.9384 -5.9384 -1.8917 -1.8917 -1.8917 -1.8917 -1.5438 -1.5438 -1.5436 -1.5436 -0.7185 -0.7185 -0.7184 -0.7184 -0.1778 -0.1778 -0.1778 -0.1778 2.7468 2.7468 2.7468 2.7468 6.7322 6.7322 6.7323 6.7323 7.0139 7.0139 7.0139 7.0139 k = 0.0972-0.0000 0.3501 ( 15046 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6124 -42.6124 -42.6124 -42.6124 -42.6031 -42.6031 -42.6031 -42.6031 -5.9245 -5.9245 -5.9245 -5.9245 -1.9781 -1.9781 -1.9781 -1.9781 -1.5334 -1.5334 -1.5332 -1.5332 -0.6554 -0.6554 -0.6553 -0.6553 -0.1729 -0.1729 -0.1728 -0.1728 2.7044 2.7044 2.7044 2.7044 6.7158 6.7158 6.7159 6.7159 6.9780 6.9780 6.9781 6.9781 k = 0.1111-0.0000 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6124 -42.6124 -42.6124 -42.6124 -42.6032 -42.6032 -42.6032 -42.6032 -5.9085 -5.9085 -5.9085 -5.9085 -2.0691 -2.0691 -2.0690 -2.0690 -1.5182 -1.5182 -1.5181 -1.5181 -0.5946 -0.5946 -0.5945 -0.5945 -0.1670 -0.1670 -0.1670 -0.1670 2.6556 2.6556 2.6556 2.6556 6.6985 6.6985 6.6986 6.6986 6.9521 6.9521 6.9522 6.9522 k = 0.1250-0.0000 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6123 -42.6123 -42.6123 -42.6123 -42.6033 -42.6033 -42.6033 -42.6033 -5.8904 -5.8904 -5.8904 -5.8904 -2.1630 -2.1630 -2.1630 -2.1630 -1.4993 -1.4993 -1.4992 -1.4992 -0.5366 -0.5366 -0.5365 -0.5365 -0.1600 -0.1600 -0.1600 -0.1600 2.6006 2.6006 2.6006 2.6006 6.6802 6.6802 6.6802 6.6802 6.9360 6.9360 6.9361 6.9361 k = 0.1389-0.0000 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6122 -42.6122 -42.6122 -42.6122 -42.6033 -42.6033 -42.6033 -42.6033 -5.8702 -5.8702 -5.8701 -5.8701 -2.2590 -2.2590 -2.2589 -2.2589 -1.4771 -1.4771 -1.4770 -1.4770 -0.4820 -0.4820 -0.4819 -0.4819 -0.1517 -0.1517 -0.1517 -0.1517 2.5396 2.5396 2.5397 2.5397 6.6602 6.6602 6.6602 6.6602 6.9284 6.9284 6.9286 6.9286 k = 0.1528-0.0000 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6121 -42.6121 -42.6121 -42.6121 -42.6034 -42.6034 -42.6034 -42.6034 -5.8478 -5.8478 -5.8478 -5.8478 -2.3562 -2.3562 -2.3562 -2.3562 -1.4520 -1.4520 -1.4519 -1.4519 -0.4312 -0.4312 -0.4312 -0.4312 -0.1420 -0.1420 -0.1420 -0.1420 2.4731 2.4731 2.4731 2.4731 6.6380 6.6380 6.6381 6.6381 6.9242 6.9242 6.9246 6.9246 k = 0.1667-0.0000 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6120 -42.6120 -42.6120 -42.6120 -42.6035 -42.6035 -42.6035 -42.6035 -5.8233 -5.8233 -5.8233 -5.8233 -2.4544 -2.4544 -2.4544 -2.4544 -1.4242 -1.4242 -1.4241 -1.4241 -0.3848 -0.3848 -0.3847 -0.3847 -0.1305 -0.1305 -0.1305 -0.1305 2.4013 2.4013 2.4013 2.4013 6.6136 6.6136 6.6136 6.6136 6.9106 6.9106 6.9110 6.9110 k = 0.1806-0.0000 0.3501 ( 14994 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6119 -42.6119 -42.6119 -42.6119 -42.6036 -42.6036 -42.6036 -42.6036 -5.7967 -5.7967 -5.7967 -5.7967 -2.5531 -2.5531 -2.5531 -2.5531 -1.3938 -1.3938 -1.3937 -1.3937 -0.3430 -0.3430 -0.3429 -0.3429 -0.1169 -0.1169 -0.1169 -0.1169 2.3247 2.3247 2.3247 2.3247 6.5871 6.5871 6.5871 6.5871 6.8787 6.8787 6.8790 6.8790 k = 0.1944-0.0000 0.3501 ( 14986 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6118 -42.6118 -42.6118 -42.6118 -42.6037 -42.6037 -42.6037 -42.6037 -5.7680 -5.7680 -5.7680 -5.7680 -2.6521 -2.6521 -2.6521 -2.6521 -1.3609 -1.3609 -1.3608 -1.3608 -0.3062 -0.3062 -0.3061 -0.3061 -0.1010 -0.1010 -0.1010 -0.1010 2.2439 2.2439 2.2439 2.2439 6.5589 6.5589 6.5590 6.5590 6.8361 6.8361 6.8363 6.8363 k = 0.2083-0.0000 0.3501 ( 14982 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6117 -42.6117 -42.6117 -42.6117 -42.6038 -42.6038 -42.6038 -42.6038 -5.7372 -5.7372 -5.7372 -5.7372 -2.7511 -2.7511 -2.7511 -2.7511 -1.3255 -1.3255 -1.3255 -1.3255 -0.2744 -0.2744 -0.2744 -0.2744 -0.0827 -0.0827 -0.0827 -0.0827 2.1592 2.1592 2.1592 2.1592 6.5295 6.5295 6.5295 6.5295 6.7900 6.7900 6.7901 6.7901 k = 0.2222-0.0000 0.3501 ( 14988 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6115 -42.6115 -42.6115 -42.6115 -42.6039 -42.6039 -42.6039 -42.6039 -5.7043 -5.7043 -5.7043 -5.7043 -2.8500 -2.8500 -2.8500 -2.8500 -1.2878 -1.2878 -1.2878 -1.2878 -0.2476 -0.2476 -0.2475 -0.2475 -0.0622 -0.0622 -0.0622 -0.0622 2.0712 2.0712 2.0712 2.0712 6.4993 6.4993 6.4994 6.4994 6.7435 6.7435 6.7436 6.7436 k = 0.2361-0.0000 0.3501 ( 14982 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6114 -42.6114 -42.6114 -42.6114 -42.6041 -42.6041 -42.6041 -42.6041 -5.6693 -5.6693 -5.6693 -5.6693 -2.9485 -2.9485 -2.9485 -2.9485 -1.2478 -1.2478 -1.2478 -1.2478 -0.2249 -0.2249 -0.2249 -0.2249 -0.0401 -0.0401 -0.0401 -0.0401 1.9804 1.9804 1.9804 1.9804 6.4689 6.4689 6.4689 6.4689 6.6977 6.6977 6.6978 6.6978 k = 0.2500-0.0000 0.3501 ( 14996 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6113 -42.6113 -42.6113 -42.6113 -42.6042 -42.6042 -42.6042 -42.6042 -5.6323 -5.6323 -5.6323 -5.6323 -3.0466 -3.0466 -3.0466 -3.0466 -1.2057 -1.2057 -1.2056 -1.2056 -0.2057 -0.2057 -0.2057 -0.2057 -0.0171 -0.0171 -0.0171 -0.0171 1.8873 1.8873 1.8873 1.8873 6.4385 6.4385 6.4386 6.4386 6.6533 6.6533 6.6534 6.6534 k = 0.2639-0.0000 0.3501 ( 14988 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6111 -42.6111 -42.6111 -42.6111 -42.6043 -42.6043 -42.6043 -42.6043 -5.5931 -5.5931 -5.5931 -5.5931 -3.1441 -3.1441 -3.1441 -3.1441 -1.1614 -1.1614 -1.1613 -1.1613 -0.1891 -0.1891 -0.1890 -0.1890 0.0059 0.0059 0.0060 0.0060 1.7924 1.7924 1.7924 1.7924 6.4086 6.4086 6.4087 6.4087 6.6106 6.6106 6.6106 6.6106 k = 0.2778-0.0000 0.3501 ( 14990 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6110 -42.6110 -42.6110 -42.6110 -42.6045 -42.6045 -42.6045 -42.6045 -5.5519 -5.5519 -5.5519 -5.5519 -3.2408 -3.2408 -3.2408 -3.2408 -1.1151 -1.1151 -1.1150 -1.1150 -0.1743 -0.1743 -0.1742 -0.1742 0.0285 0.0285 0.0285 0.0285 1.6961 1.6961 1.6961 1.6961 6.3795 6.3795 6.3795 6.3795 6.5696 6.5696 6.5696 6.5696 k = 0.2917-0.0000 0.3501 ( 15002 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6108 -42.6108 -42.6108 -42.6108 -42.6046 -42.6046 -42.6046 -42.6046 -5.5086 -5.5086 -5.5086 -5.5086 -3.3367 -3.3367 -3.3367 -3.3367 -1.0669 -1.0669 -1.0669 -1.0669 -0.1607 -0.1607 -0.1606 -0.1606 0.0501 0.0501 0.0501 0.0501 1.5989 1.5989 1.5989 1.5989 6.3513 6.3513 6.3514 6.3514 6.5305 6.5305 6.5305 6.5305 k = 0.3056-0.0000 0.3501 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6107 -42.6107 -42.6107 -42.6107 -42.6048 -42.6048 -42.6048 -42.6048 -5.4633 -5.4633 -5.4633 -5.4633 -3.4316 -3.4316 -3.4316 -3.4316 -1.0171 -1.0171 -1.0170 -1.0170 -0.1478 -0.1478 -0.1478 -0.1478 0.0703 0.0703 0.0704 0.0704 1.5010 1.5010 1.5010 1.5010 6.3245 6.3245 6.3245 6.3245 6.4934 6.4934 6.4934 6.4934 k = 0.3194-0.0000 0.3501 ( 14992 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6105 -42.6105 -42.6105 -42.6105 -42.6049 -42.6049 -42.6049 -42.6049 -5.4159 -5.4159 -5.4159 -5.4159 -3.5254 -3.5254 -3.5254 -3.5254 -0.9657 -0.9657 -0.9656 -0.9656 -0.1354 -0.1354 -0.1353 -0.1353 0.0891 0.0891 0.0891 0.0891 1.4031 1.4031 1.4031 1.4031 6.2992 6.2992 6.2992 6.2992 6.4582 6.4582 6.4582 6.4582 k = 0.3333-0.0000 0.3501 ( 14992 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6103 -42.6103 -42.6103 -42.6103 -42.6051 -42.6051 -42.6051 -42.6051 -5.3664 -5.3664 -5.3664 -5.3664 -3.6182 -3.6182 -3.6182 -3.6182 -0.9131 -0.9131 -0.9130 -0.9130 -0.1230 -0.1230 -0.1229 -0.1229 0.1063 0.1063 0.1063 0.1063 1.3053 1.3053 1.3053 1.3053 6.2755 6.2755 6.2755 6.2755 6.4251 6.4251 6.4251 6.4251 k = 0.3472-0.0000 0.3501 ( 14992 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6102 -42.6102 -42.6102 -42.6102 -42.6053 -42.6053 -42.6053 -42.6053 -5.3150 -5.3150 -5.3150 -5.3150 -3.7097 -3.7097 -3.7097 -3.7097 -0.8595 -0.8595 -0.8595 -0.8595 -0.1103 -0.1103 -0.1102 -0.1102 0.1218 0.1218 0.1219 0.1219 1.2080 1.2080 1.2080 1.2080 6.2536 6.2536 6.2536 6.2536 6.3941 6.3941 6.3941 6.3941 k = 0.3611-0.0000 0.3501 ( 15002 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6054 -42.6054 -42.6054 -42.6054 -5.2615 -5.2615 -5.2615 -5.2615 -3.8000 -3.8000 -3.8000 -3.8000 -0.8055 -0.8055 -0.8054 -0.8054 -0.0970 -0.0970 -0.0969 -0.0969 0.1358 0.1358 0.1358 0.1358 1.1117 1.1117 1.1117 1.1117 6.2337 6.2337 6.2337 6.2337 6.3652 6.3652 6.3652 6.3652 k = 0.3750-0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6056 -42.6056 -42.6056 -42.6056 -5.2061 -5.2061 -5.2061 -5.2061 -3.8889 -3.8889 -3.8889 -3.8889 -0.7514 -0.7514 -0.7514 -0.7514 -0.0826 -0.0826 -0.0825 -0.0825 0.1482 0.1482 0.1482 0.1482 1.0166 1.0166 1.0166 1.0166 6.2158 6.2158 6.2158 6.2158 6.3385 6.3385 6.3385 6.3385 k = 0.3889-0.0000 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6057 -42.6057 -42.6057 -42.6057 -5.1486 -5.1486 -5.1486 -5.1486 -3.9764 -3.9764 -3.9764 -3.9764 -0.6982 -0.6982 -0.6981 -0.6981 -0.0667 -0.0667 -0.0666 -0.0666 0.1590 0.1590 0.1590 0.1590 0.9232 0.9232 0.9232 0.9232 6.2000 6.2000 6.2000 6.2000 6.3141 6.3141 6.3141 6.3141 k = 0.4028-0.0000 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6095 -42.6095 -42.6095 -42.6095 -42.6059 -42.6059 -42.6059 -42.6059 -5.0892 -5.0892 -5.0892 -5.0892 -4.0624 -4.0624 -4.0624 -4.0624 -0.6465 -0.6465 -0.6465 -0.6465 -0.0486 -0.0486 -0.0485 -0.0485 0.1684 0.1684 0.1684 0.1684 0.8318 0.8318 0.8318 0.8318 6.1863 6.1863 6.1864 6.1864 6.2921 6.2921 6.2921 6.2921 k = 0.4167-0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6094 -42.6094 -42.6094 -42.6094 -42.6061 -42.6061 -42.6061 -42.6061 -5.0278 -5.0278 -5.0278 -5.0278 -4.1469 -4.1469 -4.1469 -4.1469 -0.5977 -0.5977 -0.5977 -0.5977 -0.0276 -0.0276 -0.0275 -0.0275 0.1763 0.1763 0.1763 0.1763 0.7431 0.7431 0.7431 0.7431 6.1748 6.1748 6.1748 6.1748 6.2725 6.2725 6.2725 6.2725 k = 0.4306-0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6092 -42.6092 -42.6092 -42.6092 -42.6062 -42.6062 -42.6062 -42.6062 -4.9645 -4.9645 -4.9645 -4.9645 -4.2299 -4.2299 -4.2299 -4.2299 -0.5531 -0.5531 -0.5530 -0.5530 -0.0028 -0.0028 -0.0027 -0.0027 0.1828 0.1828 0.1829 0.1829 0.6576 0.6576 0.6576 0.6576 6.1653 6.1653 6.1653 6.1653 6.2555 6.2555 6.2555 6.2555 k = 0.4444-0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6091 -42.6091 -42.6091 -42.6091 -42.6063 -42.6063 -42.6063 -42.6063 -4.8993 -4.8993 -4.8993 -4.8993 -4.3112 -4.3112 -4.3112 -4.3112 -0.5142 -0.5142 -0.5141 -0.5141 0.0264 0.0264 0.0264 0.0264 0.1880 0.1880 0.1880 0.1880 0.5763 0.5763 0.5764 0.5764 6.1579 6.1579 6.1579 6.1579 6.2412 6.2412 6.2412 6.2412 k = 0.4583-0.0000 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6090 -42.6090 -42.6090 -42.6090 -42.6064 -42.6064 -42.6064 -42.6064 -4.8321 -4.8321 -4.8321 -4.8321 -4.3908 -4.3908 -4.3908 -4.3908 -0.4824 -0.4824 -0.4823 -0.4823 0.0598 0.0598 0.0599 0.0599 0.1918 0.1918 0.1919 0.1919 0.5010 0.5010 0.5010 0.5010 6.1523 6.1523 6.1523 6.1523 6.2298 6.2298 6.2298 6.2298 k = 0.4722-0.0000 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6089 -42.6089 -42.6089 -42.6089 -42.6065 -42.6065 -42.6065 -42.6065 -4.7632 -4.7632 -4.7632 -4.7632 -4.4688 -4.4688 -4.4688 -4.4688 -0.4589 -0.4589 -0.4588 -0.4588 0.0958 0.0958 0.0959 0.0959 0.1941 0.1941 0.1941 0.1941 0.4346 0.4346 0.4346 0.4346 6.1485 6.1485 6.1485 6.1485 6.2214 6.2214 6.2214 6.2214 k = 0.4861-0.0000 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6923 -4.6923 -4.6923 -4.6923 -4.5450 -4.5450 -4.5450 -4.5450 -0.4445 -0.4445 -0.4445 -0.4445 0.1286 0.1286 0.1287 0.1287 0.1946 0.1946 0.1946 0.1946 0.3842 0.3842 0.3842 0.3842 6.1463 6.1463 6.1463 6.1463 6.2163 6.2163 6.2164 6.2164 k = 0.5000-0.0000 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6234 -4.6234 -4.6234 -4.6234 -4.6157 -4.6157 -4.6157 -4.6157 -0.4396 -0.4396 -0.4396 -0.4396 0.1438 0.1438 0.1438 0.1438 0.1940 0.1940 0.1940 0.1940 0.3639 0.3639 0.3639 0.3639 6.1456 6.1456 6.1456 6.1456 6.2146 6.2146 6.2146 6.2146 k = 0.5000-0.0000 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6234 -4.6234 -4.6234 -4.6234 -4.6157 -4.6157 -4.6157 -4.6157 -0.4396 -0.4396 -0.4396 -0.4396 0.1438 0.1438 0.1438 0.1438 0.1940 0.1940 0.1940 0.1940 0.3639 0.3639 0.3639 0.3639 6.1456 6.1456 6.1456 6.1456 6.2146 6.2146 6.2146 6.2146 k = 0.5000 0.0139 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6225 -4.6225 -4.6225 -4.6225 -4.6147 -4.6147 -4.6147 -4.6147 -0.4503 -0.4503 -0.4503 -0.4503 0.1511 0.1511 0.1511 0.1511 0.1527 0.1527 0.1527 0.1527 0.4049 0.4049 0.4049 0.4049 6.1481 6.1481 6.1481 6.1481 6.2189 6.2189 6.2189 6.2189 k = 0.5000 0.0278 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6196 -4.6196 -4.6196 -4.6196 -4.6117 -4.6117 -4.6117 -4.6117 -0.4804 -0.4804 -0.4804 -0.4804 0.0686 0.0686 0.0686 0.0686 0.1776 0.1776 0.1776 0.1776 0.4819 0.4819 0.4819 0.4819 6.1558 6.1558 6.1558 6.1558 6.2315 6.2315 6.2315 6.2315 k = 0.5000 0.0417 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6148 -4.6148 -4.6148 -4.6148 -4.6068 -4.6068 -4.6068 -4.6068 -0.5259 -0.5259 -0.5259 -0.5259 -0.0238 -0.0238 -0.0238 -0.0238 0.2145 0.2145 0.2145 0.2145 0.5650 0.5650 0.5650 0.5650 6.1687 6.1687 6.1687 6.1687 6.2526 6.2526 6.2526 6.2526 k = 0.5000 0.0556 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6081 -4.6081 -4.6081 -4.6081 -4.5999 -4.5999 -4.5999 -4.5999 -0.5825 -0.5825 -0.5825 -0.5825 -0.1202 -0.1202 -0.1202 -0.1202 0.2592 0.2592 0.2592 0.2592 0.6484 0.6484 0.6484 0.6484 6.1866 6.1866 6.1866 6.1866 6.2820 6.2820 6.2820 6.2820 k = 0.5000 0.0694 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.5996 -4.5996 -4.5996 -4.5996 -4.5911 -4.5911 -4.5911 -4.5911 -0.6471 -0.6471 -0.6471 -0.6471 -0.2185 -0.2185 -0.2185 -0.2185 0.3086 0.3086 0.3086 0.3086 0.7300 0.7300 0.7300 0.7300 6.2095 6.2095 6.2095 6.2095 6.3194 6.3194 6.3194 6.3194 k = 0.5000 0.0833 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6066 -42.6066 -42.6066 -42.6066 -4.5891 -4.5891 -4.5891 -4.5891 -4.5803 -4.5803 -4.5803 -4.5803 -0.7174 -0.7174 -0.7174 -0.7174 -0.3182 -0.3182 -0.3182 -0.3182 0.3605 0.3605 0.3605 0.3605 0.8092 0.8092 0.8092 0.8092 6.2375 6.2375 6.2375 6.2375 6.3649 6.3649 6.3649 6.3649 k = 0.5000 0.0972 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6067 -42.6067 -42.6067 -42.6067 -4.5768 -4.5768 -4.5768 -4.5768 -4.5675 -4.5675 -4.5675 -4.5675 -0.7917 -0.7917 -0.7917 -0.7917 -0.4187 -0.4187 -0.4187 -0.4187 0.4135 0.4135 0.4135 0.4135 0.8855 0.8855 0.8855 0.8855 6.2704 6.2704 6.2704 6.2704 6.4182 6.4182 6.4182 6.4182 k = 0.5000 0.1111 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6067 -42.6067 -42.6067 -42.6067 -4.5626 -4.5626 -4.5626 -4.5626 -4.5529 -4.5529 -4.5529 -4.5529 -0.8690 -0.8690 -0.8690 -0.8690 -0.5196 -0.5196 -0.5196 -0.5196 0.4668 0.4668 0.4668 0.4668 0.9584 0.9584 0.9584 0.9584 6.3081 6.3081 6.3081 6.3081 6.4790 6.4790 6.4790 6.4790 k = 0.5000 0.1250 0.3501 ( 14992 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6067 -42.6067 -42.6067 -42.6067 -4.5466 -4.5466 -4.5466 -4.5466 -4.5364 -4.5364 -4.5364 -4.5364 -0.9485 -0.9485 -0.9485 -0.9485 -0.6208 -0.6208 -0.6208 -0.6208 0.5196 0.5196 0.5196 0.5196 1.0278 1.0278 1.0278 1.0278 6.3506 6.3506 6.3506 6.3506 6.5471 6.5471 6.5471 6.5471 k = 0.5000 0.1389 0.3501 ( 14980 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6067 -42.6067 -42.6067 -42.6067 -4.5288 -4.5288 -4.5288 -4.5288 -4.5180 -4.5180 -4.5180 -4.5180 -1.0296 -1.0296 -1.0296 -1.0296 -0.7219 -0.7219 -0.7219 -0.7219 0.5717 0.5717 0.5717 0.5717 1.0935 1.0935 1.0935 1.0935 6.3977 6.3977 6.3977 6.3977 6.6222 6.6222 6.6222 6.6222 k = 0.5000 0.1528 0.3501 ( 14984 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6067 -42.6067 -42.6067 -42.6067 -4.5092 -4.5092 -4.5092 -4.5092 -4.4978 -4.4978 -4.4978 -4.4978 -1.1119 -1.1119 -1.1119 -1.1119 -0.8228 -0.8228 -0.8228 -0.8228 0.6229 0.6229 0.6229 0.6229 1.1552 1.1552 1.1552 1.1552 6.4491 6.4491 6.4491 6.4491 6.7039 6.7039 6.7039 6.7039 k = 0.5000 0.1667 0.3501 ( 14988 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6067 -42.6067 -42.6067 -42.6067 -4.4879 -4.4879 -4.4879 -4.4879 -4.4758 -4.4758 -4.4758 -4.4758 -1.1950 -1.1950 -1.1950 -1.1950 -0.9232 -0.9232 -0.9232 -0.9232 0.6728 0.6728 0.6728 0.6728 1.2129 1.2129 1.2129 1.2129 6.5047 6.5047 6.5047 6.5047 6.7919 6.7919 6.7919 6.7919 k = 0.5000 0.1806 0.3501 ( 14984 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6068 -42.6068 -42.6068 -42.6068 -4.4648 -4.4648 -4.4648 -4.4648 -4.4520 -4.4520 -4.4520 -4.4520 -1.2785 -1.2785 -1.2785 -1.2785 -1.0230 -1.0230 -1.0230 -1.0230 0.7216 0.7216 0.7216 0.7216 1.2663 1.2663 1.2663 1.2663 6.5642 6.5642 6.5642 6.5642 6.8858 6.8858 6.8858 6.8858 k = 0.5000 0.1945 0.3501 ( 14984 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6068 -42.6068 -42.6068 -42.6068 -4.4402 -4.4402 -4.4402 -4.4402 -4.4265 -4.4265 -4.4265 -4.4265 -1.3622 -1.3622 -1.3622 -1.3622 -1.1219 -1.1219 -1.1219 -1.1219 0.7690 0.7690 0.7690 0.7690 1.3156 1.3156 1.3156 1.3156 6.6273 6.6273 6.6273 6.6273 6.9851 6.9851 6.9851 6.9851 k = 0.5000 0.2083 0.3501 ( 14992 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6085 -42.6085 -42.6085 -42.6085 -42.6068 -42.6068 -42.6068 -42.6068 -4.4139 -4.4139 -4.4139 -4.4139 -4.3995 -4.3995 -4.3995 -4.3995 -1.4457 -1.4457 -1.4457 -1.4457 -1.2199 -1.2199 -1.2199 -1.2199 0.8152 0.8152 0.8152 0.8152 1.3605 1.3605 1.3605 1.3605 6.6936 6.6936 6.6936 6.6936 7.0896 7.0896 7.0896 7.0896 k = 0.5000 0.2222 0.3501 ( 14996 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6085 -42.6085 -42.6085 -42.6085 -42.6069 -42.6069 -42.6069 -42.6069 -4.3861 -4.3861 -4.3861 -4.3861 -4.3708 -4.3708 -4.3708 -4.3708 -1.5289 -1.5289 -1.5289 -1.5289 -1.3167 -1.3167 -1.3167 -1.3167 0.8601 0.8601 0.8601 0.8601 1.4011 1.4011 1.4011 1.4011 6.7628 6.7628 6.7628 6.7628 7.1985 7.1985 7.1985 7.1985 k = 0.5000 0.2361 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6085 -42.6085 -42.6085 -42.6085 -42.6069 -42.6069 -42.6069 -42.6069 -4.3568 -4.3568 -4.3568 -4.3568 -4.3407 -4.3407 -4.3407 -4.3407 -1.6114 -1.6114 -1.6114 -1.6114 -1.4122 -1.4122 -1.4122 -1.4122 0.9037 0.9037 0.9037 0.9037 1.4374 1.4374 1.4374 1.4374 6.8343 6.8343 6.8343 6.8343 7.3115 7.3115 7.3115 7.3115 k = 0.5000 0.2500 0.3501 ( 14996 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6084 -42.6084 -42.6084 -42.6084 -42.6069 -42.6069 -42.6069 -42.6069 -4.3262 -4.3262 -4.3262 -4.3262 -4.3091 -4.3091 -4.3091 -4.3091 -1.6930 -1.6930 -1.6930 -1.6930 -1.5061 -1.5061 -1.5061 -1.5061 0.9461 0.9461 0.9461 0.9461 1.4694 1.4694 1.4694 1.4694 6.9078 6.9078 6.9078 6.9078 7.4280 7.4280 7.4280 7.4280 k = 0.5000 0.2639 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6084 -42.6084 -42.6084 -42.6084 -42.6070 -42.6070 -42.6070 -42.6070 -4.2943 -4.2943 -4.2943 -4.2943 -4.2763 -4.2763 -4.2763 -4.2763 -1.7734 -1.7734 -1.7734 -1.7734 -1.5983 -1.5983 -1.5983 -1.5983 0.9872 0.9872 0.9872 0.9872 1.4973 1.4973 1.4973 1.4973 6.9826 6.9826 6.9826 6.9826 7.5471 7.5471 7.5471 7.5471 k = 0.5000 0.2778 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6083 -42.6083 -42.6083 -42.6083 -42.6070 -42.6070 -42.6070 -42.6070 -4.2612 -4.2612 -4.2612 -4.2612 -4.2424 -4.2424 -4.2424 -4.2424 -1.8524 -1.8524 -1.8524 -1.8524 -1.6885 -1.6885 -1.6885 -1.6885 1.0272 1.0272 1.0272 1.0272 1.5211 1.5211 1.5211 1.5211 7.0583 7.0583 7.0583 7.0583 7.6682 7.6682 7.6682 7.6682 k = 0.5000 0.2917 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6083 -42.6083 -42.6083 -42.6083 -42.6070 -42.6070 -42.6070 -42.6070 -4.2271 -4.2271 -4.2271 -4.2271 -4.2075 -4.2075 -4.2075 -4.2075 -1.9298 -1.9298 -1.9298 -1.9298 -1.7767 -1.7767 -1.7767 -1.7767 1.0660 1.0660 1.0660 1.0660 1.5409 1.5409 1.5409 1.5409 7.1343 7.1343 7.1343 7.1343 7.7901 7.7901 7.7901 7.7901 k = 0.5000 0.3056 0.3501 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6083 -42.6083 -42.6083 -42.6083 -42.6071 -42.6071 -42.6071 -42.6071 -4.1922 -4.1922 -4.1922 -4.1922 -4.1718 -4.1718 -4.1718 -4.1718 -2.0051 -2.0051 -2.0051 -2.0051 -1.8624 -1.8624 -1.8624 -1.8624 1.1037 1.1037 1.1037 1.1037 1.5569 1.5569 1.5569 1.5569 7.2101 7.2101 7.2101 7.2101 7.9117 7.9117 7.9117 7.9117 k = 0.5000 0.3195 0.3501 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6082 -42.6082 -42.6082 -42.6082 -42.6071 -42.6071 -42.6071 -42.6071 -4.1566 -4.1566 -4.1566 -4.1566 -4.1356 -4.1356 -4.1356 -4.1356 -2.0781 -2.0781 -2.0781 -2.0781 -1.9456 -1.9456 -1.9456 -1.9456 1.1403 1.1403 1.1403 1.1403 1.5692 1.5692 1.5692 1.5692 7.2850 7.2850 7.2850 7.2850 8.0310 8.0310 8.0310 8.0310 k = 0.5000 0.3334 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6082 -42.6082 -42.6082 -42.6082 -42.6071 -42.6071 -42.6071 -42.6071 -4.1207 -4.1207 -4.1207 -4.1207 -4.0992 -4.0992 -4.0992 -4.0992 -2.1483 -2.1483 -2.1483 -2.1483 -2.0258 -2.0258 -2.0258 -2.0258 1.1757 1.1757 1.1757 1.1757 1.5779 1.5779 1.5779 1.5779 7.3588 7.3588 7.3588 7.3588 8.1450 8.1450 8.1450 8.1450 k = 0.5000 0.3472 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6081 -42.6081 -42.6081 -42.6081 -42.6072 -42.6072 -42.6072 -42.6072 -4.0847 -4.0847 -4.0847 -4.0847 -4.0628 -4.0628 -4.0628 -4.0628 -2.2154 -2.2154 -2.2154 -2.2154 -2.1027 -2.1027 -2.1027 -2.1027 1.2101 1.2101 1.2101 1.2101 1.5833 1.5833 1.5833 1.5833 7.4310 7.4310 7.4310 7.4310 8.2488 8.2488 8.2488 8.2488 k = 0.5000 0.3611 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6081 -42.6081 -42.6081 -42.6081 -42.6072 -42.6072 -42.6072 -42.6072 -4.0489 -4.0489 -4.0489 -4.0489 -4.0270 -4.0270 -4.0270 -4.0270 -2.2789 -2.2789 -2.2789 -2.2789 -2.1760 -2.1760 -2.1760 -2.1760 1.2433 1.2433 1.2433 1.2433 1.5854 1.5854 1.5854 1.5854 7.5013 7.5013 7.5013 7.5013 8.3335 8.3335 8.3335 8.3335 k = 0.5000 0.3750 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6080 -42.6080 -42.6080 -42.6080 -42.6073 -42.6073 -42.6073 -42.6073 -4.0139 -4.0139 -4.0139 -4.0139 -3.9922 -3.9922 -3.9922 -3.9922 -2.3382 -2.3382 -2.3382 -2.3382 -2.2452 -2.2452 -2.2452 -2.2452 1.2754 1.2754 1.2754 1.2754 1.5845 1.5845 1.5845 1.5845 7.5697 7.5697 7.5697 7.5697 8.3858 8.3858 8.3858 8.3858 k = 0.5000 0.3889 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6080 -42.6080 -42.6080 -42.6080 -42.6073 -42.6073 -42.6073 -42.6073 -3.9800 -3.9800 -3.9800 -3.9800 -3.9590 -3.9590 -3.9590 -3.9590 -2.3927 -2.3927 -2.3927 -2.3927 -2.3097 -2.3097 -2.3097 -2.3097 1.3064 1.3064 1.3064 1.3064 1.5807 1.5807 1.5807 1.5807 7.6361 7.6361 7.6361 7.6361 8.3973 8.3973 8.3973 8.3973 k = 0.5000 0.4028 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6079 -42.6079 -42.6079 -42.6079 -42.6074 -42.6074 -42.6074 -42.6074 -3.9479 -3.9479 -3.9479 -3.9479 -3.9281 -3.9281 -3.9281 -3.9281 -2.4415 -2.4415 -2.4415 -2.4415 -2.3689 -2.3689 -2.3689 -2.3689 1.3362 1.3362 1.3362 1.3362 1.5742 1.5742 1.5742 1.5742 7.7007 7.7007 7.7007 7.7007 8.3757 8.3757 8.3757 8.3757 k = 0.5000 0.4167 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6079 -42.6079 -42.6079 -42.6079 -42.6074 -42.6074 -42.6074 -42.6074 -3.9183 -3.9183 -3.9183 -3.9183 -3.9003 -3.9003 -3.9003 -3.9003 -2.4840 -2.4840 -2.4840 -2.4840 -2.4222 -2.4222 -2.4222 -2.4222 1.3647 1.3647 1.3647 1.3647 1.5651 1.5651 1.5651 1.5651 7.7635 7.7635 7.7635 7.7635 8.3354 8.3354 8.3354 8.3354 k = 0.5000 0.4306 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6078 -42.6078 -42.6078 -42.6078 -42.6075 -42.6075 -42.6075 -42.6075 -3.8919 -3.8919 -3.8919 -3.8919 -3.8764 -3.8764 -3.8764 -3.8764 -2.5191 -2.5191 -2.5191 -2.5191 -2.4687 -2.4687 -2.4687 -2.4687 1.3920 1.3920 1.3920 1.3920 1.5536 1.5536 1.5536 1.5536 7.8250 7.8250 7.8250 7.8250 8.2861 8.2861 8.2861 8.2861 k = 0.5000 0.4445 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6078 -42.6078 -42.6078 -42.6078 -42.6075 -42.6075 -42.6075 -42.6075 -3.8696 -3.8696 -3.8696 -3.8696 -3.8572 -3.8572 -3.8572 -3.8572 -2.5461 -2.5461 -2.5461 -2.5461 -2.5076 -2.5076 -2.5076 -2.5076 1.4179 1.4179 1.4179 1.4179 1.5399 1.5399 1.5399 1.5399 7.8852 7.8852 7.8852 7.8852 8.2323 8.2323 8.2323 8.2323 k = 0.5000 0.4584 0.3501 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6075 -42.6075 -42.6075 -42.6075 -3.8522 -3.8522 -3.8522 -3.8522 -3.8435 -3.8435 -3.8435 -3.8435 -2.5642 -2.5642 -2.5642 -2.5642 -2.5381 -2.5381 -2.5381 -2.5381 1.4424 1.4424 1.4424 1.4424 1.5241 1.5241 1.5241 1.5241 7.9446 7.9446 7.9446 7.9446 8.1763 8.1763 8.1763 8.1763 k = 0.5000 0.4723 0.3501 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6076 -42.6076 -42.6076 -42.6076 -3.8405 -3.8405 -3.8405 -3.8405 -3.8360 -3.8360 -3.8360 -3.8360 -2.5726 -2.5726 -2.5726 -2.5726 -2.5594 -2.5594 -2.5594 -2.5594 1.4653 1.4653 1.4653 1.4653 1.5063 1.5063 1.5063 1.5063 8.0033 8.0033 8.0033 8.0033 8.1192 8.1192 8.1192 8.1192 k = 0.5000 0.4861 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -3.8351 -3.8351 -3.8351 -3.8351 -3.8349 -3.8349 -3.8349 -3.8349 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 1.4866 1.4866 1.4866 1.4866 1.4867 1.4867 1.4867 1.4867 8.0615 8.0615 8.0615 8.0615 8.0616 8.0616 8.0616 8.0616 k = 0.5000 0.4861 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -3.8351 -3.8351 -3.8351 -3.8351 -3.8349 -3.8349 -3.8349 -3.8349 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 1.4866 1.4866 1.4866 1.4866 1.4867 1.4867 1.4867 1.4867 8.0615 8.0615 8.0615 8.0615 8.0616 8.0616 8.0616 8.0616 k = 0.4861 0.4861 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -3.8385 -3.8385 -3.8385 -3.8385 -3.8384 -3.8384 -3.8384 -3.8384 -2.5659 -2.5659 -2.5659 -2.5659 -2.5659 -2.5659 -2.5659 -2.5659 1.4858 1.4858 1.4858 1.4858 1.4859 1.4859 1.4859 1.4859 8.0622 8.0622 8.0622 8.0622 8.0623 8.0623 8.0623 8.0623 k = 0.4722 0.4861 0.3501 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -3.8487 -3.8487 -3.8487 -3.8487 -3.8485 -3.8485 -3.8485 -3.8485 -2.5506 -2.5506 -2.5506 -2.5506 -2.5506 -2.5506 -2.5506 -2.5506 1.4832 1.4832 1.4832 1.4832 1.4833 1.4833 1.4833 1.4833 8.0642 8.0642 8.0642 8.0642 8.0643 8.0643 8.0644 8.0644 k = 0.4583 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6076 -42.6076 -42.6076 -42.6076 -3.8650 -3.8650 -3.8650 -3.8650 -3.8649 -3.8649 -3.8649 -3.8649 -2.5257 -2.5257 -2.5257 -2.5257 -2.5256 -2.5256 -2.5256 -2.5256 1.4789 1.4789 1.4789 1.4789 1.4790 1.4790 1.4790 1.4790 8.0674 8.0674 8.0674 8.0674 8.0675 8.0675 8.0676 8.0676 k = 0.4444 0.4861 0.3501 ( 15044 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6076 -42.6076 -42.6076 -42.6076 -3.8869 -3.8869 -3.8869 -3.8869 -3.8867 -3.8867 -3.8867 -3.8867 -2.4919 -2.4919 -2.4919 -2.4919 -2.4919 -2.4919 -2.4918 -2.4918 1.4728 1.4728 1.4728 1.4728 1.4730 1.4730 1.4730 1.4730 8.0714 8.0714 8.0714 8.0714 8.0715 8.0715 8.0715 8.0715 k = 0.4306 0.4861 0.3501 ( 15048 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -3.9133 -3.9133 -3.9133 -3.9133 -3.9132 -3.9132 -3.9132 -3.9132 -2.4501 -2.4501 -2.4501 -2.4501 -2.4500 -2.4500 -2.4500 -2.4500 1.4650 1.4650 1.4650 1.4650 1.4652 1.4652 1.4652 1.4652 8.0754 8.0754 8.0754 8.0754 8.0755 8.0755 8.0755 8.0755 k = 0.4167 0.4861 0.3501 ( 15048 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -3.9435 -3.9435 -3.9435 -3.9435 -3.9434 -3.9434 -3.9434 -3.9434 -2.4012 -2.4012 -2.4012 -2.4012 -2.4011 -2.4011 -2.4011 -2.4011 1.4555 1.4555 1.4555 1.4555 1.4556 1.4556 1.4556 1.4556 8.0786 8.0786 8.0787 8.0787 8.0787 8.0787 8.0788 8.0788 k = 0.4028 0.4861 0.3501 ( 15040 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -3.9765 -3.9765 -3.9765 -3.9765 -3.9764 -3.9764 -3.9764 -3.9764 -2.3460 -2.3460 -2.3460 -2.3460 -2.3460 -2.3460 -2.3460 -2.3460 1.4441 1.4441 1.4441 1.4441 1.4443 1.4443 1.4443 1.4443 8.0796 8.0796 8.0796 8.0796 8.0797 8.0797 8.0797 8.0797 k = 0.3889 0.4861 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.0117 -4.0117 -4.0117 -4.0117 -4.0116 -4.0116 -4.0115 -4.0115 -2.2855 -2.2855 -2.2855 -2.2855 -2.2855 -2.2855 -2.2855 -2.2855 1.4310 1.4310 1.4310 1.4310 1.4311 1.4311 1.4311 1.4311 8.0764 8.0764 8.0764 8.0764 8.0765 8.0765 8.0765 8.0765 k = 0.3750 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.0483 -4.0483 -4.0483 -4.0483 -4.0482 -4.0482 -4.0482 -4.0482 -2.2202 -2.2202 -2.2202 -2.2202 -2.2202 -2.2202 -2.2202 -2.2202 1.4160 1.4160 1.4160 1.4160 1.4161 1.4161 1.4161 1.4161 8.0665 8.0665 8.0665 8.0665 8.0665 8.0665 8.0666 8.0666 k = 0.3611 0.4861 0.3501 ( 15028 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.0858 -4.0858 -4.0858 -4.0858 -4.0857 -4.0857 -4.0857 -4.0857 -2.1508 -2.1508 -2.1508 -2.1508 -2.1507 -2.1507 -2.1507 -2.1507 1.3991 1.3991 1.3991 1.3991 1.3992 1.3992 1.3992 1.3992 8.0467 8.0467 8.0467 8.0467 8.0468 8.0468 8.0468 8.0468 k = 0.3472 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.1238 -4.1238 -4.1238 -4.1238 -4.1237 -4.1237 -4.1237 -4.1237 -2.0778 -2.0778 -2.0778 -2.0778 -2.0777 -2.0777 -2.0777 -2.0777 1.3803 1.3803 1.3803 1.3803 1.3805 1.3805 1.3805 1.3805 8.0144 8.0144 8.0144 8.0144 8.0145 8.0145 8.0145 8.0145 k = 0.3333 0.4861 0.3501 ( 15040 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.1618 -4.1618 -4.1618 -4.1618 -4.1616 -4.1616 -4.1616 -4.1616 -2.0016 -2.0016 -2.0016 -2.0016 -2.0015 -2.0015 -2.0015 -2.0015 1.3596 1.3596 1.3596 1.3596 1.3597 1.3597 1.3597 1.3597 7.9681 7.9681 7.9681 7.9681 7.9681 7.9681 7.9682 7.9682 k = 0.3194 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.1994 -4.1994 -4.1994 -4.1994 -4.1993 -4.1993 -4.1993 -4.1993 -1.9226 -1.9226 -1.9226 -1.9226 -1.9226 -1.9226 -1.9226 -1.9226 1.3368 1.3368 1.3368 1.3368 1.3370 1.3370 1.3370 1.3370 7.9082 7.9082 7.9082 7.9082 7.9082 7.9082 7.9083 7.9083 k = 0.3056 0.4861 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.2365 -4.2365 -4.2365 -4.2365 -4.2364 -4.2364 -4.2364 -4.2364 -1.8413 -1.8413 -1.8413 -1.8413 -1.8412 -1.8412 -1.8412 -1.8412 1.3120 1.3120 1.3121 1.3121 1.3122 1.3122 1.3122 1.3122 7.8367 7.8367 7.8367 7.8367 7.8367 7.8367 7.8368 7.8368 k = 0.2917 0.4861 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.2729 -4.2729 -4.2729 -4.2729 -4.2728 -4.2728 -4.2728 -4.2728 -1.7577 -1.7577 -1.7577 -1.7577 -1.7577 -1.7577 -1.7577 -1.7577 1.2851 1.2851 1.2852 1.2852 1.2853 1.2853 1.2853 1.2853 7.7565 7.7565 7.7565 7.7565 7.7565 7.7565 7.7566 7.7566 k = 0.2778 0.4861 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.3082 -4.3082 -4.3082 -4.3082 -4.3081 -4.3081 -4.3081 -4.3081 -1.6724 -1.6724 -1.6724 -1.6724 -1.6723 -1.6723 -1.6723 -1.6723 1.2561 1.2561 1.2561 1.2561 1.2562 1.2562 1.2562 1.2562 7.6702 7.6702 7.6702 7.6702 7.6703 7.6703 7.6703 7.6703 k = 0.2639 0.4861 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.3425 -4.3425 -4.3425 -4.3425 -4.3424 -4.3424 -4.3424 -4.3424 -1.5854 -1.5854 -1.5853 -1.5853 -1.5853 -1.5853 -1.5853 -1.5853 1.2248 1.2248 1.2248 1.2248 1.2249 1.2249 1.2249 1.2249 7.5802 7.5802 7.5802 7.5802 7.5803 7.5803 7.5803 7.5803 k = 0.2500 0.4861 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.3754 -4.3754 -4.3754 -4.3754 -4.3753 -4.3753 -4.3753 -4.3753 -1.4969 -1.4969 -1.4969 -1.4969 -1.4969 -1.4969 -1.4969 -1.4969 1.1913 1.1913 1.1913 1.1913 1.1914 1.1914 1.1914 1.1914 7.4883 7.4883 7.4883 7.4883 7.4884 7.4884 7.4884 7.4884 k = 0.2361 0.4861 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.4071 -4.4071 -4.4071 -4.4071 -4.4069 -4.4069 -4.4069 -4.4069 -1.4074 -1.4074 -1.4074 -1.4074 -1.4073 -1.4073 -1.4073 -1.4073 1.1554 1.1554 1.1554 1.1554 1.1555 1.1555 1.1555 1.1555 7.3960 7.3960 7.3960 7.3960 7.3960 7.3960 7.3961 7.3961 k = 0.2222 0.4861 0.3501 ( 15044 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.4372 -4.4372 -4.4372 -4.4372 -4.4371 -4.4371 -4.4371 -4.4371 -1.3168 -1.3168 -1.3168 -1.3168 -1.3167 -1.3167 -1.3167 -1.3167 1.1171 1.1171 1.1171 1.1171 1.1172 1.1172 1.1172 1.1172 7.3044 7.3044 7.3044 7.3044 7.3045 7.3045 7.3045 7.3045 k = 0.2083 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.4658 -4.4658 -4.4658 -4.4658 -4.4657 -4.4657 -4.4657 -4.4657 -1.2255 -1.2255 -1.2255 -1.2255 -1.2254 -1.2254 -1.2254 -1.2254 1.0764 1.0764 1.0764 1.0764 1.0765 1.0765 1.0765 1.0765 7.2147 7.2147 7.2147 7.2147 7.2147 7.2147 7.2148 7.2148 k = 0.1944 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.4928 -4.4928 -4.4928 -4.4928 -4.4927 -4.4927 -4.4927 -4.4927 -1.1336 -1.1336 -1.1335 -1.1335 -1.1335 -1.1335 -1.1335 -1.1335 1.0332 1.0332 1.0332 1.0332 1.0333 1.0333 1.0333 1.0333 7.1275 7.1275 7.1275 7.1275 7.1275 7.1275 7.1276 7.1276 k = 0.1806 0.4861 0.3501 ( 15048 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.5181 -4.5181 -4.5181 -4.5181 -4.5180 -4.5180 -4.5180 -4.5180 -1.0413 -1.0413 -1.0413 -1.0413 -1.0412 -1.0412 -1.0412 -1.0412 0.9874 0.9874 0.9874 0.9874 0.9876 0.9876 0.9876 0.9876 7.0435 7.0435 7.0436 7.0436 7.0436 7.0436 7.0436 7.0436 k = 0.1667 0.4861 0.3501 ( 15040 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.5417 -4.5417 -4.5417 -4.5417 -4.5416 -4.5416 -4.5416 -4.5416 -0.9488 -0.9488 -0.9488 -0.9488 -0.9487 -0.9487 -0.9487 -0.9487 0.9391 0.9391 0.9391 0.9391 0.9393 0.9393 0.9393 0.9393 6.9636 6.9636 6.9636 6.9636 6.9637 6.9637 6.9637 6.9637 k = 0.1528 0.4861 0.3501 ( 15052 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.5635 -4.5635 -4.5635 -4.5635 -4.5634 -4.5634 -4.5634 -4.5634 -0.8564 -0.8564 -0.8564 -0.8564 -0.8563 -0.8563 -0.8563 -0.8563 0.8883 0.8883 0.8883 0.8883 0.8884 0.8884 0.8884 0.8884 6.8881 6.8881 6.8881 6.8881 6.8882 6.8882 6.8882 6.8882 k = 0.1389 0.4861 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.5836 -4.5836 -4.5836 -4.5836 -4.5835 -4.5835 -4.5835 -4.5835 -0.7642 -0.7642 -0.7642 -0.7642 -0.7642 -0.7642 -0.7642 -0.7642 0.8348 0.8348 0.8348 0.8348 0.8350 0.8350 0.8350 0.8350 6.8177 6.8177 6.8177 6.8177 6.8177 6.8177 6.8177 6.8177 k = 0.1250 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6018 -4.6018 -4.6018 -4.6018 -4.6017 -4.6017 -4.6017 -4.6017 -0.6726 -0.6726 -0.6726 -0.6726 -0.6725 -0.6725 -0.6725 -0.6725 0.7789 0.7789 0.7789 0.7789 0.7790 0.7790 0.7790 0.7790 6.7526 6.7526 6.7526 6.7526 6.7527 6.7527 6.7527 6.7527 k = 0.1111 0.4861 0.3501 ( 15032 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6181 -4.6181 -4.6181 -4.6181 -4.6180 -4.6180 -4.6180 -4.6180 -0.5817 -0.5817 -0.5817 -0.5817 -0.5816 -0.5816 -0.5816 -0.5816 0.7205 0.7205 0.7205 0.7205 0.7206 0.7206 0.7206 0.7206 6.6934 6.6934 6.6934 6.6934 6.6934 6.6934 6.6934 6.6934 k = 0.0972 0.4861 0.3501 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6326 -4.6326 -4.6326 -4.6326 -4.6325 -4.6325 -4.6325 -4.6325 -0.4919 -0.4919 -0.4919 -0.4919 -0.4918 -0.4918 -0.4918 -0.4918 0.6598 0.6598 0.6598 0.6598 0.6599 0.6599 0.6599 0.6599 6.6403 6.6403 6.6403 6.6403 6.6404 6.6404 6.6404 6.6404 k = 0.0833 0.4861 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6452 -4.6452 -4.6452 -4.6452 -4.6451 -4.6451 -4.6451 -4.6451 -0.4036 -0.4036 -0.4036 -0.4036 -0.4035 -0.4035 -0.4035 -0.4035 0.5970 0.5970 0.5970 0.5970 0.5971 0.5971 0.5971 0.5971 6.5937 6.5937 6.5937 6.5937 6.5937 6.5937 6.5938 6.5938 k = 0.0694 0.4861 0.3501 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6559 -4.6559 -4.6559 -4.6559 -4.6558 -4.6558 -4.6558 -4.6558 -0.3172 -0.3172 -0.3172 -0.3172 -0.3171 -0.3171 -0.3171 -0.3171 0.5326 0.5326 0.5326 0.5326 0.5327 0.5327 0.5327 0.5327 6.5538 6.5538 6.5538 6.5538 6.5539 6.5539 6.5539 6.5539 k = 0.0556 0.4861 0.3501 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6646 -4.6646 -4.6646 -4.6646 -4.6645 -4.6645 -4.6645 -4.6645 -0.2337 -0.2337 -0.2337 -0.2337 -0.2336 -0.2336 -0.2336 -0.2336 0.4671 0.4671 0.4671 0.4671 0.4672 0.4672 0.4672 0.4672 6.5209 6.5209 6.5209 6.5209 6.5209 6.5209 6.5209 6.5209 k = 0.0417 0.4861 0.3501 ( 14996 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6714 -4.6714 -4.6714 -4.6714 -4.6713 -4.6713 -4.6713 -4.6713 -0.1545 -0.1545 -0.1545 -0.1545 -0.1544 -0.1544 -0.1544 -0.1544 0.4020 0.4020 0.4020 0.4020 0.4022 0.4022 0.4022 0.4022 6.4951 6.4951 6.4951 6.4951 6.4951 6.4951 6.4951 6.4951 k = 0.0278 0.4861 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6763 -4.6763 -4.6763 -4.6763 -4.6762 -4.6762 -4.6762 -4.6762 -0.0829 -0.0829 -0.0829 -0.0829 -0.0828 -0.0828 -0.0828 -0.0828 0.3406 0.3406 0.3406 0.3406 0.3407 0.3407 0.3407 0.3407 6.4765 6.4765 6.4765 6.4765 6.4766 6.4766 6.4766 6.4766 k = 0.0139 0.4861 0.3501 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6793 -4.6793 -4.6793 -4.6793 -4.6792 -4.6792 -4.6792 -4.6792 -0.0267 -0.0267 -0.0267 -0.0267 -0.0266 -0.0266 -0.0266 -0.0266 0.2905 0.2905 0.2905 0.2905 0.2907 0.2907 0.2907 0.2907 6.4654 6.4654 6.4654 6.4654 6.4654 6.4654 6.4654 6.4654 k = 0.0000 0.4861 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6802 -4.6802 -4.6802 -4.6802 -4.6801 -4.6801 -4.6801 -4.6801 -0.0034 -0.0034 -0.0034 -0.0034 -0.0033 -0.0033 -0.0033 -0.0033 0.2693 0.2693 0.2693 0.2693 0.2694 0.2694 0.2694 0.2694 6.4616 6.4616 6.4616 6.4616 6.4617 6.4617 6.4617 6.4617 k = 0.0000 0.4861 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6802 -4.6802 -4.6802 -4.6802 -4.6801 -4.6801 -4.6801 -4.6801 -0.0034 -0.0034 -0.0034 -0.0034 -0.0033 -0.0033 -0.0033 -0.0033 0.2693 0.2693 0.2693 0.2693 0.2694 0.2694 0.2694 0.2694 6.4616 6.4616 6.4616 6.4616 6.4617 6.4617 6.4617 6.4617 k = 0.0000 0.4723 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6080 -42.6080 -42.6080 -42.6080 -42.6075 -42.6075 -42.6075 -42.6075 -4.7518 -4.7518 -4.7518 -4.7518 -4.6067 -4.6067 -4.6067 -4.6067 -0.0505 -0.0505 -0.0505 -0.0505 0.0333 0.0333 0.0333 0.0333 0.2234 0.2234 0.2234 0.2234 0.3266 0.3266 0.3266 0.3266 6.4461 6.4461 6.4461 6.4461 6.4792 6.4792 6.4792 6.4792 k = 0.0000 0.4584 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6082 -42.6082 -42.6082 -42.6082 -42.6073 -42.6073 -42.6073 -42.6073 -4.8215 -4.8215 -4.8215 -4.8215 -4.5315 -4.5315 -4.5315 -4.5315 -0.1069 -0.1069 -0.1069 -0.1069 0.0602 0.0602 0.0602 0.0602 0.1876 0.1876 0.1876 0.1876 0.3940 0.3940 0.3940 0.3940 6.4325 6.4325 6.4325 6.4325 6.4987 6.4987 6.4987 6.4987 k = 0.0000 0.4445 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6084 -42.6084 -42.6084 -42.6084 -42.6071 -42.6071 -42.6071 -42.6071 -4.8893 -4.8893 -4.8893 -4.8893 -4.4544 -4.4544 -4.4544 -4.4544 -0.1694 -0.1694 -0.1694 -0.1694 0.0793 0.0793 0.0793 0.0793 0.1591 0.1591 0.1591 0.1591 0.4695 0.4695 0.4695 0.4695 6.4209 6.4209 6.4209 6.4209 6.5202 6.5202 6.5202 6.5202 k = 0.0000 0.4306 0.3501 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6069 -42.6069 -42.6069 -42.6069 -4.9552 -4.9552 -4.9552 -4.9552 -4.3756 -4.3756 -4.3756 -4.3756 -0.2356 -0.2356 -0.2356 -0.2356 0.0925 0.0925 0.0925 0.0925 0.1356 0.1356 0.1356 0.1356 0.5510 0.5510 0.5510 0.5510 6.4115 6.4115 6.4115 6.4115 6.5433 6.5433 6.5433 6.5433 k = 0.0000 0.4167 0.3501 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -5.0191 -5.0191 -5.0191 -5.0191 -4.2950 -4.2950 -4.2950 -4.2950 -0.3032 -0.3032 -0.3032 -0.3032 0.1011 0.1011 0.1011 0.1011 0.1150 0.1150 0.1150 0.1150 0.6368 0.6368 0.6368 0.6368 6.4041 6.4041 6.4041 6.4041 6.5683 6.5683 6.5683 6.5683 k = 0.0000 0.4028 0.3501 ( 14998 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6090 -42.6090 -42.6090 -42.6090 -42.6064 -42.6064 -42.6064 -42.6064 -5.0811 -5.0811 -5.0811 -5.0811 -4.2128 -4.2128 -4.2128 -4.2128 -0.3709 -0.3709 -0.3709 -0.3709 0.0963 0.0963 0.0963 0.0963 0.1058 0.1058 0.1058 0.1058 0.7260 0.7260 0.7260 0.7260 6.3990 6.3990 6.3990 6.3990 6.5949 6.5949 6.5949 6.5949 k = 0.0000 0.3889 0.3501 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6092 -42.6092 -42.6092 -42.6092 -42.6062 -42.6062 -42.6062 -42.6062 -5.1411 -5.1411 -5.1411 -5.1411 -4.1289 -4.1289 -4.1289 -4.1289 -0.4381 -0.4381 -0.4381 -0.4381 0.0787 0.0787 0.0787 0.0787 0.1072 0.1072 0.1072 0.1072 0.8178 0.8178 0.8178 0.8178 6.3959 6.3959 6.3959 6.3959 6.6230 6.6230 6.6230 6.6230 k = 0.0000 0.3750 0.3501 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6094 -42.6094 -42.6094 -42.6094 -42.6060 -42.6060 -42.6060 -42.6060 -5.1991 -5.1991 -5.1991 -5.1991 -4.0434 -4.0434 -4.0434 -4.0434 -0.5041 -0.5041 -0.5041 -0.5041 0.0620 0.0620 0.0620 0.0620 0.1053 0.1053 0.1053 0.1053 0.9116 0.9116 0.9116 0.9116 6.3949 6.3949 6.3949 6.3949 6.6527 6.6527 6.6527 6.6527 k = 0.0000 0.3611 0.3501 ( 15038 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6058 -42.6058 -42.6058 -42.6058 -5.2551 -5.2551 -5.2551 -5.2551 -3.9564 -3.9564 -3.9564 -3.9564 -0.5686 -0.5686 -0.5686 -0.5686 0.0458 0.0458 0.0458 0.0458 0.1002 0.1002 0.1002 0.1002 1.0071 1.0071 1.0071 1.0071 6.3959 6.3959 6.3959 6.3959 6.6837 6.6837 6.6837 6.6837 k = 0.0000 0.3472 0.3501 ( 15042 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6056 -42.6056 -5.3091 -5.3091 -5.3091 -5.3091 -3.8678 -3.8678 -3.8678 -3.8678 -0.6313 -0.6313 -0.6313 -0.6313 0.0301 0.0301 0.0301 0.0301 0.0921 0.0921 0.0921 0.0921 1.1039 1.1039 1.1039 1.1039 6.3991 6.3991 6.3991 6.3991 6.7161 6.7161 6.7161 6.7161 k = 0.0000 0.3334 0.3501 ( 15034 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6054 -42.6054 -42.6054 -42.6054 -5.3611 -5.3611 -5.3611 -5.3611 -3.7778 -3.7778 -3.7778 -3.7778 -0.6921 -0.6921 -0.6921 -0.6921 0.0148 0.0148 0.0148 0.0148 0.0807 0.0807 0.0807 0.0807 1.2018 1.2018 1.2018 1.2018 6.4042 6.4042 6.4042 6.4042 6.7497 6.7497 6.7497 6.7497 k = 0.0000 0.3195 0.3501 ( 15026 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6102 -42.6102 -42.6102 -42.6102 -42.6052 -42.6052 -42.6052 -42.6052 -5.4109 -5.4109 -5.4109 -5.4109 -3.6864 -3.6864 -3.6864 -3.6864 -0.7508 -0.7508 -0.7508 -0.7508 -0.0002 -0.0002 -0.0002 -0.0002 0.0661 0.0661 0.0661 0.0661 1.3004 1.3004 1.3004 1.3004 6.4112 6.4112 6.4112 6.4112 6.7843 6.7843 6.7843 6.7843 k = 0.0000 0.3056 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6104 -42.6104 -42.6104 -42.6104 -42.6051 -42.6051 -42.6051 -42.6051 -5.4588 -5.4588 -5.4588 -5.4588 -3.5937 -3.5937 -3.5937 -3.5937 -0.8073 -0.8073 -0.8073 -0.8073 -0.0148 -0.0148 -0.0148 -0.0148 0.0481 0.0481 0.0481 0.0481 1.3994 1.3994 1.3994 1.3994 6.4199 6.4199 6.4199 6.4199 6.8199 6.8199 6.8199 6.8199 k = 0.0000 0.2917 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6106 -42.6106 -42.6106 -42.6106 -42.6049 -42.6049 -42.6049 -42.6049 -5.5045 -5.5045 -5.5045 -5.5045 -3.4997 -3.4997 -3.4997 -3.4997 -0.8617 -0.8617 -0.8617 -0.8617 -0.0289 -0.0289 -0.0289 -0.0289 0.0267 0.0267 0.0267 0.0267 1.4985 1.4985 1.4985 1.4985 6.4302 6.4302 6.4302 6.4302 6.8564 6.8564 6.8564 6.8564 k = 0.0000 0.2778 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6108 -42.6108 -42.6108 -42.6108 -42.6047 -42.6047 -42.6047 -42.6047 -5.5482 -5.5482 -5.5482 -5.5482 -3.4046 -3.4046 -3.4046 -3.4046 -0.9137 -0.9137 -0.9137 -0.9137 -0.0427 -0.0427 -0.0427 -0.0427 0.0016 0.0016 0.0016 0.0016 1.5974 1.5974 1.5974 1.5974 6.4417 6.4417 6.4417 6.4417 6.8935 6.8935 6.8935 6.8935 k = 0.0000 0.2639 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6110 -42.6110 -42.6110 -42.6110 -42.6045 -42.6045 -42.6045 -42.6045 -5.5898 -5.5898 -5.5898 -5.5898 -3.3085 -3.3085 -3.3085 -3.3085 -0.9634 -0.9634 -0.9634 -0.9634 -0.0561 -0.0561 -0.0561 -0.0561 -0.0270 -0.0270 -0.0270 -0.0270 1.6957 1.6957 1.6957 1.6957 6.4543 6.4543 6.4543 6.4543 6.9311 6.9311 6.9311 6.9311 k = 0.0000 0.2500 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6111 -42.6111 -42.6111 -42.6111 -42.6044 -42.6044 -42.6044 -42.6044 -5.6293 -5.6293 -5.6293 -5.6293 -3.2113 -3.2113 -3.2113 -3.2113 -1.0107 -1.0107 -1.0107 -1.0107 -0.0689 -0.0689 -0.0689 -0.0689 -0.0594 -0.0594 -0.0594 -0.0594 1.7932 1.7932 1.7932 1.7932 6.4676 6.4676 6.4676 6.4676 6.9691 6.9691 6.9691 6.9691 k = 0.0000 0.2361 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6113 -42.6113 -42.6113 -42.6113 -42.6042 -42.6042 -42.6042 -42.6042 -5.6667 -5.6667 -5.6667 -5.6667 -3.1133 -3.1133 -3.1133 -3.1133 -1.0556 -1.0556 -1.0556 -1.0556 -0.0956 -0.0956 -0.0956 -0.0956 -0.0813 -0.0813 -0.0813 -0.0813 1.8893 1.8893 1.8893 1.8893 6.4812 6.4812 6.4812 6.4812 7.0072 7.0072 7.0072 7.0072 k = 0.0000 0.2222 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6114 -42.6114 -42.6114 -42.6114 -42.6041 -42.6041 -42.6041 -42.6041 -5.7020 -5.7020 -5.7020 -5.7020 -3.0146 -3.0146 -3.0146 -3.0146 -1.0980 -1.0980 -1.0980 -1.0980 -0.1356 -0.1356 -0.1356 -0.1356 -0.0931 -0.0931 -0.0931 -0.0931 1.9837 1.9837 1.9837 1.9837 6.4948 6.4948 6.4948 6.4948 7.0453 7.0453 7.0453 7.0453 k = 0.0000 0.2083 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6116 -42.6116 -42.6116 -42.6116 -42.6040 -42.6040 -42.6040 -42.6040 -5.7352 -5.7352 -5.7352 -5.7352 -2.9152 -2.9152 -2.9152 -2.9152 -1.1380 -1.1380 -1.1380 -1.1380 -0.1793 -0.1793 -0.1793 -0.1793 -0.1044 -0.1044 -0.1044 -0.1044 2.0759 2.0759 2.0759 2.0759 6.5079 6.5079 6.5079 6.5079 7.0832 7.0832 7.0832 7.0832 k = 0.0000 0.1945 0.3501 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6117 -42.6117 -42.6117 -42.6117 -42.6038 -42.6038 -42.6038 -42.6038 -5.7662 -5.7662 -5.7662 -5.7662 -2.8154 -2.8154 -2.8154 -2.8154 -1.1754 -1.1754 -1.1754 -1.1754 -0.2269 -0.2269 -0.2269 -0.2269 -0.1151 -0.1151 -0.1151 -0.1151 2.1654 2.1654 2.1654 2.1654 6.5204 6.5204 6.5204 6.5204 7.1205 7.1205 7.1205 7.1205 k = 0.0000 0.1806 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6118 -42.6118 -42.6118 -42.6118 -42.6037 -42.6037 -42.6037 -42.6037 -5.7952 -5.7952 -5.7952 -5.7952 -2.7153 -2.7153 -2.7153 -2.7153 -1.2104 -1.2104 -1.2104 -1.2104 -0.2781 -0.2781 -0.2781 -0.2781 -0.1252 -0.1252 -0.1252 -0.1252 2.2517 2.2517 2.2517 2.2517 6.5323 6.5323 6.5323 6.5323 7.1390 7.1390 7.1390 7.1390 k = 0.0000 0.1667 0.3501 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6120 -42.6120 -42.6120 -42.6120 -42.6036 -42.6036 -42.6036 -42.6036 -5.8220 -5.8220 -5.8220 -5.8220 -2.6152 -2.6152 -2.6152 -2.6152 -1.2428 -1.2428 -1.2428 -1.2428 -0.3329 -0.3329 -0.3329 -0.3329 -0.1346 -0.1346 -0.1346 -0.1346 2.3343 2.3343 2.3343 2.3343 6.5438 6.5438 6.5438 6.5438 7.1181 7.1181 7.1181 7.1181 k = 0.0000 0.1528 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6121 -42.6121 -42.6121 -42.6121 -42.6035 -42.6035 -42.6035 -42.6035 -5.8467 -5.8467 -5.8467 -5.8467 -2.5152 -2.5152 -2.5152 -2.5152 -1.2727 -1.2727 -1.2727 -1.2727 -0.3911 -0.3911 -0.3911 -0.3911 -0.1433 -0.1433 -0.1433 -0.1433 2.4127 2.4127 2.4127 2.4127 6.5558 6.5558 6.5558 6.5558 7.1082 7.1082 7.1082 7.1082 k = 0.0000 0.1389 0.3501 ( 15014 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6122 -42.6122 -42.6122 -42.6122 -42.6034 -42.6034 -42.6034 -42.6034 -5.8693 -5.8693 -5.8693 -5.8693 -2.4157 -2.4157 -2.4157 -2.4157 -1.3000 -1.3000 -1.3000 -1.3000 -0.4525 -0.4525 -0.4525 -0.4525 -0.1514 -0.1514 -0.1514 -0.1514 2.4863 2.4863 2.4863 2.4863 6.5692 6.5692 6.5692 6.5692 7.1081 7.1081 7.1081 7.1081 k = 0.0000 0.1250 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6123 -42.6123 -42.6123 -42.6123 -42.6033 -42.6033 -42.6033 -42.6033 -5.8897 -5.8897 -5.8897 -5.8897 -2.3169 -2.3169 -2.3169 -2.3169 -1.3247 -1.3247 -1.3247 -1.3247 -0.5167 -0.5167 -0.5167 -0.5167 -0.1588 -0.1588 -0.1588 -0.1588 2.5546 2.5546 2.5546 2.5546 6.5850 6.5850 6.5850 6.5850 7.1164 7.1164 7.1164 7.1164 k = 0.0000 0.1111 0.3501 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6123 -42.6123 -42.6123 -42.6123 -42.6032 -42.6032 -42.6032 -42.6032 -5.9079 -5.9079 -5.9079 -5.9079 -2.2195 -2.2195 -2.2195 -2.2195 -1.3469 -1.3469 -1.3469 -1.3469 -0.5833 -0.5833 -0.5833 -0.5833 -0.1654 -0.1654 -0.1654 -0.1654 2.6172 2.6172 2.6172 2.6172 6.6041 6.6041 6.6041 6.6041 7.1316 7.1316 7.1316 7.1316 k = 0.0000 0.0972 0.3501 ( 15034 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6124 -42.6124 -42.6124 -42.6124 -42.6031 -42.6031 -42.6031 -42.6031 -5.9241 -5.9241 -5.9241 -5.9241 -2.1240 -2.1240 -2.1240 -2.1240 -1.3665 -1.3665 -1.3665 -1.3665 -0.6517 -0.6517 -0.6517 -0.6517 -0.1713 -0.1713 -0.1713 -0.1713 2.6734 2.6734 2.6734 2.6734 6.6270 6.6270 6.6270 6.6270 7.1527 7.1527 7.1527 7.1527 k = 0.0000 0.0833 0.3501 ( 15030 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6125 -42.6125 -42.6125 -42.6125 -42.6031 -42.6031 -42.6031 -42.6031 -5.9381 -5.9381 -5.9381 -5.9381 -2.0311 -2.0311 -2.0311 -2.0311 -1.3834 -1.3834 -1.3834 -1.3834 -0.7211 -0.7211 -0.7211 -0.7211 -0.1764 -0.1764 -0.1764 -0.1764 2.7230 2.7230 2.7230 2.7230 6.6535 6.6535 6.6535 6.6535 7.1789 7.1789 7.1789 7.1789 k = 0.0000 0.0694 0.3501 ( 15034 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6125 -42.6125 -42.6125 -42.6125 -42.6030 -42.6030 -42.6030 -42.6030 -5.9499 -5.9499 -5.9499 -5.9499 -1.9422 -1.9422 -1.9422 -1.9422 -1.3978 -1.3978 -1.3978 -1.3978 -0.7901 -0.7901 -0.7901 -0.7901 -0.1808 -0.1808 -0.1808 -0.1808 2.7655 2.7655 2.7655 2.7655 6.6827 6.6827 6.6827 6.6827 7.2098 7.2098 7.2098 7.2098 k = 0.0000 0.0556 0.3501 ( 15034 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6030 -42.6030 -42.6030 -42.6030 -5.9596 -5.9596 -5.9596 -5.9596 -1.8591 -1.8591 -1.8591 -1.8591 -1.4096 -1.4096 -1.4096 -1.4096 -0.8570 -0.8570 -0.8570 -0.8570 -0.1843 -0.1843 -0.1843 -0.1843 2.8008 2.8008 2.8008 2.8008 6.7130 6.7130 6.7130 6.7130 7.2455 7.2455 7.2455 7.2455 k = 0.0000 0.0417 0.3501 ( 15038 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6030 -42.6030 -42.6030 -42.6030 -5.9671 -5.9671 -5.9671 -5.9671 -1.7847 -1.7847 -1.7847 -1.7847 -1.4187 -1.4187 -1.4187 -1.4187 -0.9189 -0.9189 -0.9189 -0.9189 -0.1871 -0.1871 -0.1871 -0.1871 2.8284 2.8284 2.8284 2.8284 6.7419 6.7419 6.7419 6.7419 7.2869 7.2869 7.2869 7.2869 k = 0.0000 0.0278 0.3501 ( 15042 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6126 -42.6126 -42.6126 -42.6126 -42.6029 -42.6029 -42.6029 -42.6029 -5.9725 -5.9725 -5.9725 -5.9725 -1.7235 -1.7235 -1.7235 -1.7235 -1.4253 -1.4253 -1.4253 -1.4253 -0.9711 -0.9711 -0.9711 -0.9711 -0.1891 -0.1891 -0.1891 -0.1891 2.8482 2.8482 2.8482 2.8482 6.7660 6.7660 6.7660 6.7660 7.3343 7.3343 7.3343 7.3343 k = 0.0000 0.0139 0.3501 ( 15026 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6127 -42.6127 -42.6127 -42.6127 -42.6029 -42.6029 -42.6029 -42.6029 -5.9757 -5.9757 -5.9757 -5.9757 -1.6820 -1.6820 -1.6820 -1.6820 -1.4292 -1.4292 -1.4292 -1.4292 -1.0071 -1.0071 -1.0071 -1.0071 -0.1903 -0.1903 -0.1903 -0.1903 2.8602 2.8602 2.8602 2.8602 6.7823 6.7823 6.7823 6.7823 7.3851 7.3851 7.3851 7.3851 k = 0.0000 0.0000 0.3501 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6127 -42.6127 -42.6127 -42.6127 -42.6029 -42.6029 -42.6029 -42.6029 -5.9768 -5.9768 -5.9768 -5.9768 -1.6671 -1.6671 -1.6671 -1.6671 -1.4305 -1.4305 -1.4305 -1.4305 -1.0202 -1.0202 -1.0202 -1.0202 -0.1907 -0.1907 -0.1907 -0.1907 2.8642 2.8642 2.8642 2.8642 6.7880 6.7880 6.7880 6.7880 7.4159 7.4159 7.4159 7.4159 k = 0.0000 0.4861-0.0000 ( 15068 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3435 -5.3435 -5.3434 -5.3434 -3.1702 -3.1702 -3.1702 -3.1702 -2.1443 -2.1443 -2.1441 -2.1441 -0.4572 -0.4572 -0.4571 -0.4571 0.9400 0.9400 0.9401 0.9401 1.4987 1.4987 1.4987 1.4987 6.9431 6.9431 6.9431 6.9431 7.1333 7.1333 7.1333 7.1333 k = 0.0000 0.4861 0.0140 ( 15078 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6055 -42.6055 -5.3425 -5.3425 -5.3424 -5.3424 -3.1793 -3.1793 -3.1792 -3.1792 -2.1338 -2.1338 -2.1336 -2.1336 -0.4562 -0.4562 -0.4561 -0.4561 0.9379 0.9379 0.9380 0.9380 1.4967 1.4967 1.4968 1.4968 6.9403 6.9403 6.9403 6.9403 7.1328 7.1328 7.1328 7.1328 k = 0.0000 0.4861 0.0280 ( 15072 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6056 -42.6056 -5.3392 -5.3392 -5.3391 -5.3391 -3.2055 -3.2055 -3.2054 -3.2054 -2.1033 -2.1033 -2.1031 -2.1031 -0.4532 -0.4532 -0.4531 -0.4531 0.9316 0.9316 0.9316 0.9316 1.4908 1.4908 1.4909 1.4909 6.9320 6.9320 6.9320 6.9320 7.1311 7.1311 7.1312 7.1312 k = 0.0000 0.4861 0.0420 ( 15068 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6056 -42.6056 -5.3338 -5.3338 -5.3338 -5.3338 -3.2460 -3.2460 -3.2460 -3.2460 -2.0555 -2.0555 -2.0553 -2.0553 -0.4481 -0.4481 -0.4480 -0.4480 0.9211 0.9211 0.9211 0.9211 1.4810 1.4810 1.4811 1.4811 6.9185 6.9185 6.9185 6.9185 7.1275 7.1275 7.1276 7.1276 k = 0.0000 0.4861 0.0560 ( 15036 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6056 -42.6056 -42.6056 -42.6056 -5.3263 -5.3263 -5.3262 -5.3262 -3.2977 -3.2977 -3.2976 -3.2976 -1.9937 -1.9937 -1.9936 -1.9936 -0.4411 -0.4411 -0.4410 -0.4410 0.9066 0.9066 0.9067 0.9067 1.4672 1.4672 1.4672 1.4672 6.9003 6.9003 6.9004 6.9004 7.1209 7.1209 7.1210 7.1210 k = 0.0000 0.4861 0.0700 ( 15042 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6056 -42.6056 -42.6056 -42.6056 -5.3166 -5.3166 -5.3166 -5.3166 -3.3574 -3.3574 -3.3574 -3.3574 -1.9212 -1.9212 -1.9210 -1.9210 -0.4320 -0.4320 -0.4319 -0.4319 0.8883 0.8883 0.8884 0.8884 1.4492 1.4492 1.4492 1.4492 6.8780 6.8780 6.8781 6.8781 7.1100 7.1100 7.1101 7.1101 k = 0.0000 0.4861 0.0840 ( 15032 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6057 -42.6057 -42.6057 -42.6057 -5.3048 -5.3048 -5.3047 -5.3047 -3.4227 -3.4227 -3.4226 -3.4226 -1.8402 -1.8402 -1.8400 -1.8400 -0.4210 -0.4210 -0.4209 -0.4209 0.8664 0.8664 0.8665 0.8665 1.4269 1.4269 1.4270 1.4270 6.8523 6.8523 6.8523 6.8523 7.0937 7.0937 7.0938 7.0938 k = 0.0000 0.4861 0.0980 ( 15028 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6057 -42.6057 -42.6057 -42.6057 -5.2909 -5.2909 -5.2908 -5.2908 -3.4917 -3.4917 -3.4916 -3.4916 -1.7529 -1.7529 -1.7527 -1.7527 -0.4080 -0.4080 -0.4079 -0.4079 0.8412 0.8412 0.8412 0.8412 1.4004 1.4004 1.4005 1.4005 6.8238 6.8238 6.8238 6.8238 7.0712 7.0712 7.0713 7.0713 k = 0.0000 0.4861 0.1120 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6058 -42.6058 -42.6058 -42.6058 -5.2748 -5.2748 -5.2747 -5.2747 -3.5629 -3.5629 -3.5629 -3.5629 -1.6606 -1.6606 -1.6604 -1.6604 -0.3930 -0.3930 -0.3929 -0.3929 0.8128 0.8128 0.8129 0.8129 1.3694 1.3694 1.3695 1.3695 6.7932 6.7932 6.7933 6.7933 7.0422 7.0422 7.0423 7.0423 k = 0.0000 0.4861 0.1260 ( 14992 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6096 -42.6096 -42.6096 -42.6096 -42.6059 -42.6059 -42.6059 -42.6059 -5.2565 -5.2565 -5.2565 -5.2565 -3.6355 -3.6355 -3.6354 -3.6354 -1.5644 -1.5644 -1.5643 -1.5643 -0.3761 -0.3761 -0.3760 -0.3760 0.7817 0.7817 0.7817 0.7817 1.3339 1.3339 1.3339 1.3339 6.7613 6.7613 6.7613 6.7613 7.0073 7.0073 7.0073 7.0073 k = 0.0000 0.4861 0.1400 ( 14982 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6095 -42.6095 -42.6095 -42.6095 -42.6059 -42.6059 -42.6059 -42.6059 -5.2362 -5.2362 -5.2361 -5.2361 -3.7086 -3.7086 -3.7085 -3.7085 -1.4652 -1.4652 -1.4651 -1.4651 -0.3573 -0.3573 -0.3572 -0.3572 0.7480 0.7480 0.7481 0.7481 1.2937 1.2937 1.2938 1.2938 6.7285 6.7285 6.7286 6.7286 6.9673 6.9673 6.9674 6.9674 k = 0.0000 0.4861 0.1540 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6094 -42.6094 -42.6094 -42.6094 -42.6060 -42.6060 -42.6060 -42.6060 -5.2137 -5.2137 -5.2136 -5.2136 -3.7817 -3.7817 -3.7817 -3.7817 -1.3637 -1.3637 -1.3635 -1.3635 -0.3365 -0.3365 -0.3365 -0.3365 0.7121 0.7121 0.7122 0.7122 1.2490 1.2490 1.2491 1.2491 6.6956 6.6956 6.6956 6.6956 6.9237 6.9237 6.9238 6.9238 k = 0.0000 0.4861 0.1680 ( 14996 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6093 -42.6093 -42.6093 -42.6093 -42.6061 -42.6061 -42.6061 -42.6061 -5.1892 -5.1892 -5.1891 -5.1891 -3.8545 -3.8545 -3.8544 -3.8544 -1.2602 -1.2602 -1.2601 -1.2601 -0.3140 -0.3140 -0.3139 -0.3139 0.6743 0.6743 0.6744 0.6744 1.1996 1.1996 1.1997 1.1997 6.6630 6.6630 6.6630 6.6630 6.8779 6.8779 6.8779 6.8779 k = 0.0000 0.4861 0.1820 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6092 -42.6092 -42.6092 -42.6092 -42.6062 -42.6062 -42.6062 -42.6062 -5.1624 -5.1624 -5.1623 -5.1623 -3.9265 -3.9265 -3.9264 -3.9264 -1.1554 -1.1554 -1.1552 -1.1552 -0.2896 -0.2896 -0.2895 -0.2895 0.6348 0.6348 0.6349 0.6349 1.1457 1.1457 1.1458 1.1458 6.6313 6.6313 6.6313 6.6313 6.8312 6.8312 6.8313 6.8313 k = 0.0000 0.4861 0.1960 ( 15000 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6091 -42.6091 -42.6091 -42.6091 -42.6063 -42.6063 -42.6063 -42.6063 -5.1336 -5.1336 -5.1335 -5.1335 -3.9976 -3.9976 -3.9975 -3.9975 -1.0496 -1.0496 -1.0494 -1.0494 -0.2634 -0.2634 -0.2634 -0.2634 0.5939 0.5939 0.5940 0.5940 1.0872 1.0872 1.0873 1.0873 6.6010 6.6010 6.6010 6.6010 6.7848 6.7848 6.7849 6.7849 k = 0.0000 0.4861 0.2100 ( 15006 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6090 -42.6090 -42.6090 -42.6090 -42.6064 -42.6064 -42.6064 -42.6064 -5.1027 -5.1027 -5.1026 -5.1026 -4.0675 -4.0675 -4.0674 -4.0674 -0.9431 -0.9431 -0.9430 -0.9430 -0.2355 -0.2355 -0.2354 -0.2354 0.5519 0.5519 0.5520 0.5520 1.0244 1.0244 1.0245 1.0245 6.5725 6.5725 6.5726 6.5726 6.7397 6.7397 6.7397 6.7397 k = 0.0000 0.4861 0.2240 ( 15026 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6089 -42.6089 -42.6089 -42.6089 -42.6066 -42.6066 -42.6065 -42.6065 -5.0697 -5.0697 -5.0696 -5.0696 -4.1361 -4.1361 -4.1361 -4.1361 -0.8365 -0.8365 -0.8364 -0.8364 -0.2059 -0.2059 -0.2058 -0.2058 0.5091 0.5091 0.5092 0.5092 0.9573 0.9573 0.9575 0.9575 6.5463 6.5463 6.5464 6.5464 6.6966 6.6966 6.6966 6.6966 k = 0.0000 0.4861 0.2380 ( 15022 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6067 -42.6067 -42.6067 -42.6067 -5.0346 -5.0346 -5.0345 -5.0345 -4.2033 -4.2033 -4.2032 -4.2032 -0.7300 -0.7300 -0.7299 -0.7299 -0.1746 -0.1746 -0.1745 -0.1745 0.4657 0.4657 0.4657 0.4657 0.8864 0.8864 0.8865 0.8865 6.5228 6.5228 6.5229 6.5229 6.6561 6.6561 6.6562 6.6562 k = 0.0000 0.4861 0.2521 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6068 -42.6068 -42.6068 -42.6068 -4.9974 -4.9974 -4.9973 -4.9973 -4.2690 -4.2690 -4.2689 -4.2689 -0.6243 -0.6243 -0.6241 -0.6241 -0.1418 -0.1418 -0.1417 -0.1417 0.4219 0.4219 0.4220 0.4220 0.8118 0.8118 0.8119 0.8119 6.5023 6.5023 6.5024 6.5024 6.6187 6.6187 6.6187 6.6187 k = 0.0000 0.4861 0.2661 ( 15024 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6085 -42.6085 -42.6069 -42.6069 -42.6069 -42.6069 -4.9582 -4.9582 -4.9581 -4.9581 -4.3330 -4.3330 -4.3330 -4.3330 -0.5197 -0.5197 -0.5196 -0.5196 -0.1075 -0.1075 -0.1074 -0.1074 0.3782 0.3782 0.3783 0.3783 0.7340 0.7340 0.7341 0.7341 6.4851 6.4851 6.4851 6.4851 6.5846 6.5846 6.5847 6.5847 k = 0.0000 0.4861 0.2801 ( 15018 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6084 -42.6084 -42.6084 -42.6084 -42.6071 -42.6071 -42.6070 -42.6070 -4.9169 -4.9169 -4.9168 -4.9168 -4.3954 -4.3954 -4.3953 -4.3953 -0.4172 -0.4172 -0.4171 -0.4171 -0.0721 -0.0721 -0.0720 -0.0720 0.3352 0.3352 0.3352 0.3352 0.6536 0.6536 0.6537 0.6537 6.4714 6.4714 6.4714 6.4714 6.5543 6.5543 6.5543 6.5543 k = 0.0000 0.4861 0.2941 ( 15010 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6083 -42.6083 -42.6083 -42.6083 -42.6072 -42.6072 -42.6072 -42.6072 -4.8735 -4.8735 -4.8735 -4.8735 -4.4560 -4.4560 -4.4559 -4.4559 -0.3178 -0.3178 -0.3176 -0.3176 -0.0361 -0.0361 -0.0360 -0.0360 0.2937 0.2937 0.2938 0.2938 0.5714 0.5714 0.5715 0.5715 6.4615 6.4615 6.4615 6.4615 6.5277 6.5277 6.5278 6.5278 k = 0.0000 0.4861 0.3081 ( 14998 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6081 -42.6081 -42.6081 -42.6081 -42.6073 -42.6073 -42.6073 -42.6073 -4.8282 -4.8282 -4.8281 -4.8281 -4.5148 -4.5148 -4.5148 -4.5148 -0.2232 -0.2232 -0.2231 -0.2231 -0.0017 -0.0017 -0.0016 -0.0016 0.2564 0.2564 0.2565 0.2565 0.4887 0.4887 0.4888 0.4888 6.4554 6.4554 6.4555 6.4555 6.5051 6.5051 6.5052 6.5052 k = 0.0000 0.4861 0.3221 ( 14998 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6080 -42.6080 -42.6080 -42.6080 -42.6075 -42.6075 -42.6074 -42.6074 -4.7808 -4.7808 -4.7808 -4.7808 -4.5718 -4.5718 -4.5718 -4.5718 -0.1362 -0.1362 -0.1361 -0.1361 0.0247 0.0247 0.0248 0.0248 0.2305 0.2305 0.2306 0.2306 0.4077 0.4077 0.4078 0.4078 6.4534 6.4534 6.4535 6.4535 6.4865 6.4865 6.4866 6.4866 k = 0.0000 0.4861 0.3361 ( 15008 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6079 -42.6079 -42.6079 -42.6079 -42.6076 -42.6076 -42.6076 -42.6076 -4.7315 -4.7315 -4.7314 -4.7314 -4.6270 -4.6270 -4.6269 -4.6269 -0.0610 -0.0610 -0.0609 -0.0609 0.0276 0.0276 0.0278 0.0278 0.2316 0.2316 0.2318 0.2318 0.3321 0.3321 0.3323 0.3323 6.4554 6.4554 6.4555 6.4555 6.4720 6.4720 6.4721 6.4721 k = 0.0000 0.4861 0.3501 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -42.6077 -4.6802 -4.6802 -4.6802 -4.6802 -4.6801 -4.6801 -4.6801 -4.6801 -0.0034 -0.0034 -0.0034 -0.0034 -0.0033 -0.0033 -0.0033 -0.0033 0.2693 0.2693 0.2693 0.2693 0.2694 0.2694 0.2694 0.2694 6.4616 6.4616 6.4616 6.4616 6.4617 6.4617 6.4617 6.4617 k = 0.5000-0.0000 0.3501 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6234 -4.6234 -4.6234 -4.6234 -4.6157 -4.6157 -4.6157 -4.6157 -0.4396 -0.4396 -0.4396 -0.4396 0.1438 0.1438 0.1438 0.1438 0.1940 0.1940 0.1940 0.1940 0.3639 0.3639 0.3639 0.3639 6.1456 6.1456 6.1456 6.1456 6.2146 6.2146 6.2146 6.2146 k = 0.5000-0.0000 0.3361 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.6712 -4.6712 -4.6711 -4.6711 -4.5661 -4.5661 -4.5660 -4.5660 -0.4460 -0.4460 -0.4459 -0.4459 0.0941 0.0941 0.0942 0.0942 0.2439 0.2439 0.2440 0.2440 0.3678 0.3678 0.3679 0.3679 6.1476 6.1476 6.1476 6.1476 6.2182 6.2182 6.2182 6.2182 k = 0.5000-0.0000 0.3221 ( 15036 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6066 -42.6066 -42.6066 -42.6066 -4.7205 -4.7205 -4.7204 -4.7204 -4.5110 -4.5110 -4.5109 -4.5109 -0.4650 -0.4650 -0.4650 -0.4650 0.0285 0.0285 0.0286 0.0286 0.3081 0.3081 0.3083 0.3083 0.3821 0.3821 0.3822 0.3822 6.1534 6.1534 6.1535 6.1535 6.2291 6.2291 6.2292 6.2292 k = 0.5000-0.0000 0.3081 ( 15030 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6089 -42.6089 -42.6089 -42.6089 -42.6065 -42.6065 -42.6065 -42.6065 -4.7679 -4.7679 -4.7678 -4.7678 -4.4539 -4.4539 -4.4538 -4.4538 -0.4971 -0.4971 -0.4971 -0.4971 -0.0336 -0.0336 -0.0335 -0.0335 0.3561 0.3561 0.3562 0.3562 0.4183 0.4183 0.4184 0.4184 6.1628 6.1628 6.1628 6.1628 6.2477 6.2477 6.2478 6.2478 k = 0.5000-0.0000 0.2941 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6089 -42.6089 -42.6089 -42.6089 -42.6065 -42.6065 -42.6065 -42.6065 -4.8134 -4.8134 -4.8133 -4.8133 -4.3950 -4.3950 -4.3949 -4.3949 -0.5423 -0.5423 -0.5422 -0.5422 -0.0898 -0.0898 -0.0897 -0.0897 0.3838 0.3838 0.3839 0.3839 0.4778 0.4778 0.4778 0.4778 6.1752 6.1752 6.1753 6.1753 6.2743 6.2743 6.2744 6.2744 k = 0.5000-0.0000 0.2801 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6090 -42.6090 -42.6090 -42.6090 -42.6064 -42.6064 -42.6064 -42.6064 -4.8568 -4.8568 -4.8567 -4.8567 -4.3343 -4.3343 -4.3342 -4.3342 -0.5997 -0.5997 -0.5996 -0.5996 -0.1392 -0.1392 -0.1391 -0.1391 0.4071 0.4071 0.4072 0.4072 0.5431 0.5431 0.5432 0.5432 6.1904 6.1904 6.1904 6.1904 6.3090 6.3090 6.3091 6.3091 k = 0.5000-0.0000 0.2661 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6091 -42.6091 -42.6091 -42.6091 -42.6063 -42.6063 -42.6063 -42.6063 -4.8982 -4.8982 -4.8981 -4.8981 -4.2718 -4.2718 -4.2717 -4.2717 -0.6680 -0.6680 -0.6678 -0.6678 -0.1822 -0.1822 -0.1821 -0.1821 0.4313 0.4313 0.4314 0.4314 0.6079 0.6079 0.6080 0.6080 6.2081 6.2081 6.2082 6.2082 6.3517 6.3517 6.3519 6.3519 k = 0.5000-0.0000 0.2521 ( 14994 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6091 -42.6091 -42.6091 -42.6091 -42.6063 -42.6063 -42.6063 -42.6063 -4.9376 -4.9376 -4.9375 -4.9375 -4.2076 -4.2076 -4.2076 -4.2076 -0.7449 -0.7449 -0.7448 -0.7448 -0.2195 -0.2195 -0.2194 -0.2194 0.4571 0.4571 0.4571 0.4571 0.6704 0.6704 0.6705 0.6705 6.2283 6.2283 6.2283 6.2283 6.4024 6.4024 6.4025 6.4025 k = 0.5000-0.0000 0.2380 ( 14966 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6092 -42.6092 -42.6092 -42.6092 -42.6062 -42.6062 -42.6062 -42.6062 -4.9748 -4.9748 -4.9747 -4.9747 -4.1419 -4.1419 -4.1418 -4.1418 -0.8285 -0.8285 -0.8284 -0.8284 -0.2525 -0.2525 -0.2524 -0.2524 0.4842 0.4842 0.4843 0.4843 0.7299 0.7299 0.7300 0.7300 6.2508 6.2508 6.2509 6.2509 6.4607 6.4607 6.4608 6.4608 k = 0.5000-0.0000 0.2240 ( 14982 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6093 -42.6093 -42.6093 -42.6093 -42.6061 -42.6061 -42.6061 -42.6061 -5.0101 -5.0101 -5.0100 -5.0100 -4.0746 -4.0746 -4.0745 -4.0745 -0.9170 -0.9170 -0.9169 -0.9169 -0.2820 -0.2820 -0.2819 -0.2819 0.5124 0.5124 0.5124 0.5124 0.7860 0.7860 0.7861 0.7861 6.2755 6.2755 6.2756 6.2756 6.5263 6.5263 6.5265 6.5265 k = 0.5000-0.0000 0.2100 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6094 -42.6094 -42.6094 -42.6094 -42.6060 -42.6060 -42.6060 -42.6060 -5.0432 -5.0432 -5.0431 -5.0431 -4.0059 -4.0059 -4.0058 -4.0058 -1.0089 -1.0089 -1.0088 -1.0088 -0.3087 -0.3087 -0.3086 -0.3086 0.5412 0.5412 0.5413 0.5413 0.8384 0.8384 0.8385 0.8385 6.3022 6.3022 6.3023 6.3023 6.5989 6.5989 6.5991 6.5991 k = 0.5000-0.0000 0.1960 ( 15010 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6095 -42.6095 -42.6095 -42.6095 -42.6059 -42.6059 -42.6059 -42.6059 -5.0742 -5.0742 -5.0741 -5.0741 -3.9359 -3.9359 -3.9358 -3.9358 -1.1031 -1.1031 -1.1030 -1.1030 -0.3332 -0.3332 -0.3331 -0.3331 0.5703 0.5703 0.5703 0.5703 0.8870 0.8870 0.8871 0.8871 6.3307 6.3307 6.3308 6.3308 6.6782 6.6782 6.6784 6.6784 k = 0.5000-0.0000 0.1820 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6095 -42.6095 -42.6095 -42.6095 -42.6058 -42.6058 -42.6058 -42.6058 -5.1031 -5.1031 -5.1031 -5.1031 -3.8647 -3.8647 -3.8646 -3.8646 -1.1987 -1.1987 -1.1986 -1.1986 -0.3556 -0.3556 -0.3556 -0.3556 0.5993 0.5993 0.5993 0.5993 0.9318 0.9318 0.9319 0.9319 6.3608 6.3608 6.3609 6.3609 6.7636 6.7636 6.7638 6.7638 k = 0.5000-0.0000 0.1680 ( 14990 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6096 -42.6096 -42.6096 -42.6096 -42.6058 -42.6058 -42.6058 -42.6058 -5.1299 -5.1299 -5.1298 -5.1298 -3.7926 -3.7926 -3.7925 -3.7925 -1.2949 -1.2949 -1.2947 -1.2947 -0.3763 -0.3763 -0.3762 -0.3762 0.6278 0.6278 0.6278 0.6278 0.9727 0.9727 0.9727 0.9727 6.3922 6.3922 6.3923 6.3923 6.8546 6.8546 6.8548 6.8548 k = 0.5000-0.0000 0.1540 ( 14986 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6057 -42.6057 -42.6057 -42.6057 -5.1546 -5.1546 -5.1545 -5.1545 -3.7196 -3.7196 -3.7196 -3.7196 -1.3910 -1.3910 -1.3908 -1.3908 -0.3953 -0.3953 -0.3952 -0.3952 0.6555 0.6555 0.6555 0.6555 1.0096 1.0096 1.0097 1.0097 6.4245 6.4245 6.4246 6.4246 6.9506 6.9506 6.9508 6.9508 k = 0.5000-0.0000 0.1400 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6056 -42.6056 -42.6056 -42.6056 -5.1772 -5.1772 -5.1771 -5.1771 -3.6463 -3.6463 -3.6462 -3.6462 -1.4864 -1.4864 -1.4862 -1.4862 -0.4126 -0.4126 -0.4125 -0.4125 0.6821 0.6821 0.6821 0.6821 1.0428 1.0428 1.0429 1.0429 6.4573 6.4573 6.4573 6.4573 7.0508 7.0508 7.0510 7.0510 k = 0.5000-0.0000 0.1260 ( 14992 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6055 -42.6055 -5.1976 -5.1976 -5.1975 -5.1975 -3.5728 -3.5728 -3.5728 -3.5728 -1.5804 -1.5804 -1.5802 -1.5802 -0.4283 -0.4283 -0.4282 -0.4282 0.7073 0.7073 0.7074 0.7074 1.0722 1.0722 1.0723 1.0723 6.4901 6.4901 6.4901 6.4901 7.1544 7.1544 7.1546 7.1546 k = 0.5000-0.0000 0.1120 ( 14990 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6099 -42.6099 -42.6055 -42.6055 -42.6055 -42.6055 -5.2159 -5.2159 -5.2158 -5.2158 -3.4998 -3.4998 -3.4998 -3.4998 -1.6723 -1.6723 -1.6721 -1.6721 -0.4424 -0.4424 -0.4423 -0.4423 0.7308 0.7308 0.7309 0.7309 1.0980 1.0980 1.0981 1.0981 6.5223 6.5223 6.5223 6.5223 7.2604 7.2604 7.2606 7.2606 k = 0.5000-0.0000 0.0980 ( 14982 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6054 -42.6054 -42.6054 -42.6054 -5.2321 -5.2321 -5.2320 -5.2320 -3.4280 -3.4280 -3.4279 -3.4279 -1.7611 -1.7611 -1.7609 -1.7609 -0.4548 -0.4548 -0.4548 -0.4548 0.7523 0.7523 0.7524 0.7524 1.1203 1.1203 1.1204 1.1204 6.5534 6.5534 6.5534 6.5534 7.3674 7.3674 7.3676 7.3676 k = 0.5000-0.0000 0.0840 ( 14998 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6100 -42.6100 -42.6100 -42.6100 -42.6054 -42.6054 -42.6054 -42.6054 -5.2461 -5.2461 -5.2460 -5.2460 -3.3583 -3.3583 -3.3583 -3.3583 -1.8458 -1.8458 -1.8457 -1.8457 -0.4657 -0.4657 -0.4656 -0.4656 0.7716 0.7716 0.7717 0.7717 1.1392 1.1392 1.1393 1.1393 6.5826 6.5826 6.5826 6.5826 7.4741 7.4741 7.4743 7.4743 k = 0.5000-0.0000 0.0700 ( 14990 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6100 -42.6100 -42.6053 -42.6053 -42.6053 -42.6053 -5.2579 -5.2579 -5.2578 -5.2578 -3.2921 -3.2921 -3.2921 -3.2921 -1.9249 -1.9249 -1.9248 -1.9248 -0.4749 -0.4749 -0.4748 -0.4748 0.7884 0.7884 0.7885 0.7885 1.1549 1.1549 1.1550 1.1550 6.6092 6.6092 6.6092 6.6092 7.5788 7.5788 7.5790 7.5790 k = 0.5000-0.0000 0.0560 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.2676 -5.2676 -5.2675 -5.2675 -3.2313 -3.2313 -3.2312 -3.2312 -1.9964 -1.9964 -1.9963 -1.9963 -0.4824 -0.4824 -0.4823 -0.4823 0.8025 0.8025 0.8025 0.8025 1.1675 1.1675 1.1676 1.1676 6.6324 6.6324 6.6324 6.6324 7.6795 7.6795 7.6797 7.6797 k = 0.5000-0.0000 0.0420 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.2751 -5.2751 -5.2750 -5.2750 -3.1783 -3.1783 -3.1783 -3.1783 -2.0578 -2.0578 -2.0576 -2.0576 -0.4883 -0.4883 -0.4882 -0.4882 0.8137 0.8137 0.8137 0.8137 1.1772 1.1772 1.1772 1.1772 6.6514 6.6514 6.6515 6.6515 7.7741 7.7741 7.7743 7.7743 k = 0.5000-0.0000 0.0280 ( 14988 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6053 -42.6053 -5.2805 -5.2805 -5.2804 -5.2804 -3.1365 -3.1365 -3.1365 -3.1365 -2.1056 -2.1056 -2.1054 -2.1054 -0.4925 -0.4925 -0.4924 -0.4924 0.8218 0.8218 0.8218 0.8218 1.1840 1.1840 1.1840 1.1840 6.6656 6.6656 6.6656 6.6656 7.8605 7.8605 7.8608 7.8608 k = 0.5000-0.0000 0.0140 ( 14980 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2838 -5.2838 -5.2837 -5.2837 -3.1094 -3.1094 -3.1094 -3.1094 -2.1364 -2.1364 -2.1362 -2.1362 -0.4950 -0.4950 -0.4950 -0.4950 0.8267 0.8267 0.8267 0.8267 1.1880 1.1880 1.1881 1.1881 6.6744 6.6744 6.6745 6.6745 7.9365 7.9365 7.9367 7.9367 k = 0.5000-0.0000-0.0000 ( 14986 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6101 -42.6101 -42.6101 -42.6101 -42.6053 -42.6053 -42.6052 -42.6052 -5.2848 -5.2848 -5.2847 -5.2847 -3.1000 -3.1000 -3.0999 -3.0999 -2.1470 -2.1470 -2.1468 -2.1468 -0.4959 -0.4959 -0.4958 -0.4958 0.8283 0.8283 0.8284 0.8284 1.1894 1.1894 1.1894 1.1894 6.6774 6.6774 6.6774 6.6774 7.9880 7.9880 7.9881 7.9881 k = 0.5000 0.4861-0.0000 ( 15032 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6099 -42.6099 -42.6098 -42.6098 -42.6054 -42.6054 -42.6054 -42.6054 -4.5427 -4.5427 -4.5425 -4.5425 -2.9614 -2.9614 -2.9614 -2.9614 -2.1319 -2.1319 -2.1317 -2.1317 -2.0952 -2.0952 -2.0952 -2.0952 -1.2396 -1.2396 -1.2395 -1.2395 3.3107 3.3107 3.3108 3.3108 7.6653 7.6653 7.6653 7.6653 8.4612 8.4612 8.4612 8.4612 k = 0.5000 0.4861 0.0140 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6054 -42.6054 -4.5415 -4.5415 -4.5414 -4.5414 -2.9607 -2.9607 -2.9607 -2.9607 -2.1442 -2.1442 -2.1440 -2.1440 -2.0963 -2.0963 -2.0963 -2.0963 -1.2254 -1.2254 -1.2253 -1.2253 3.3080 3.3080 3.3081 3.3081 7.6546 7.6546 7.6546 7.6546 8.4622 8.4622 8.4623 8.4623 k = 0.5000 0.4861 0.0280 ( 15016 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6055 -42.6055 -4.5381 -4.5381 -4.5379 -4.5379 -2.9588 -2.9588 -2.9588 -2.9588 -2.1789 -2.1789 -2.1787 -2.1787 -2.0995 -2.0995 -2.0995 -2.0995 -1.1852 -1.1852 -1.1851 -1.1851 3.3001 3.3001 3.3002 3.3002 7.6248 7.6248 7.6248 7.6248 8.4653 8.4653 8.4653 8.4653 k = 0.5000 0.4861 0.0420 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6055 -42.6055 -4.5324 -4.5324 -4.5322 -4.5322 -2.9555 -2.9555 -2.9555 -2.9555 -2.2310 -2.2310 -2.2308 -2.2308 -2.1048 -2.1048 -2.1048 -2.1048 -1.1237 -1.1237 -1.1236 -1.1236 3.2867 3.2867 3.2868 3.2868 7.5814 7.5814 7.5815 7.5815 8.4704 8.4704 8.4704 8.4704 k = 0.5000 0.4861 0.0560 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6098 -42.6098 -42.6098 -42.6098 -42.6055 -42.6055 -42.6055 -42.6055 -4.5244 -4.5244 -4.5242 -4.5242 -2.9509 -2.9509 -2.9509 -2.9509 -2.2953 -2.2953 -2.2951 -2.2951 -2.1122 -2.1122 -2.1122 -2.1122 -1.0465 -1.0465 -1.0464 -1.0464 3.2677 3.2677 3.2678 3.2678 7.5307 7.5307 7.5307 7.5307 8.4775 8.4775 8.4775 8.4775 k = 0.5000 0.4861 0.0700 ( 15012 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6056 -42.6056 -42.6055 -42.6055 -4.5141 -4.5141 -4.5139 -4.5139 -2.9452 -2.9452 -2.9452 -2.9452 -2.3674 -2.3674 -2.3672 -2.3672 -2.1215 -2.1215 -2.1215 -2.1215 -0.9577 -0.9577 -0.9576 -0.9576 3.2429 3.2429 3.2430 3.2430 7.4776 7.4776 7.4776 7.4776 8.4865 8.4865 8.4865 8.4865 k = 0.5000 0.4861 0.0840 ( 14996 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6097 -42.6097 -42.6097 -42.6097 -42.6056 -42.6056 -42.6056 -42.6056 -4.5015 -4.5015 -4.5013 -4.5013 -2.9382 -2.9382 -2.9382 -2.9382 -2.4442 -2.4442 -2.4440 -2.4440 -2.1329 -2.1329 -2.1329 -2.1329 -0.8604 -0.8604 -0.8603 -0.8603 3.2120 3.2120 3.2121 3.2121 7.4260 7.4260 7.4261 7.4261 8.4975 8.4975 8.4975 8.4975 k = 0.5000 0.4861 0.0980 ( 14996 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6096 -42.6096 -42.6096 -42.6096 -42.6056 -42.6056 -42.6056 -42.6056 -4.4866 -4.4866 -4.4865 -4.4865 -2.9303 -2.9303 -2.9303 -2.9303 -2.5234 -2.5234 -2.5233 -2.5233 -2.1461 -2.1461 -2.1461 -2.1461 -0.7567 -0.7567 -0.7566 -0.7566 3.1747 3.1747 3.1748 3.1748 7.3788 7.3788 7.3788 7.3788 8.5104 8.5104 8.5104 8.5104 k = 0.5000 0.4861 0.1120 ( 15000 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6096 -42.6096 -42.6096 -42.6096 -42.6057 -42.6057 -42.6057 -42.6057 -4.4695 -4.4695 -4.4694 -4.4694 -2.9217 -2.9217 -2.9217 -2.9217 -2.6035 -2.6035 -2.6033 -2.6033 -2.1610 -2.1610 -2.1610 -2.1610 -0.6482 -0.6482 -0.6480 -0.6480 3.1308 3.1308 3.1309 3.1309 7.3379 7.3379 7.3380 7.3380 8.5251 8.5251 8.5251 8.5251 k = 0.5000 0.4861 0.1260 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6095 -42.6095 -42.6095 -42.6095 -42.6058 -42.6058 -42.6058 -42.6058 -4.4501 -4.4501 -4.4500 -4.4500 -2.9133 -2.9133 -2.9133 -2.9133 -2.6827 -2.6827 -2.6825 -2.6825 -2.1777 -2.1777 -2.1777 -2.1777 -0.5356 -0.5356 -0.5355 -0.5355 3.0801 3.0801 3.0802 3.0802 7.3049 7.3049 7.3050 7.3050 8.5415 8.5415 8.5415 8.5415 k = 0.5000 0.4861 0.1400 ( 15024 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6094 -42.6094 -42.6094 -42.6094 -42.6059 -42.6059 -42.6059 -42.6059 -4.4285 -4.4285 -4.4284 -4.4284 -2.9075 -2.9075 -2.9075 -2.9075 -2.7578 -2.7578 -2.7576 -2.7576 -2.1959 -2.1959 -2.1959 -2.1959 -0.4198 -0.4198 -0.4196 -0.4196 3.0224 3.0224 3.0225 3.0225 7.2809 7.2809 7.2809 7.2809 8.5595 8.5595 8.5596 8.5596 k = 0.5000 0.4861 0.1540 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6093 -42.6093 -42.6093 -42.6093 -42.6059 -42.6059 -42.6059 -42.6059 -4.4045 -4.4045 -4.4044 -4.4044 -2.9155 -2.9155 -2.9154 -2.9154 -2.8172 -2.8172 -2.8171 -2.8171 -2.2155 -2.2155 -2.2155 -2.2155 -0.3012 -0.3012 -0.3011 -0.3011 2.9578 2.9578 2.9580 2.9580 7.2665 7.2665 7.2665 7.2665 8.5790 8.5790 8.5790 8.5790 k = 0.5000 0.4861 0.1680 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6093 -42.6093 -42.6092 -42.6092 -42.6060 -42.6060 -42.6060 -42.6060 -4.3783 -4.3783 -4.3782 -4.3782 -2.9607 -2.9607 -2.9606 -2.9606 -2.8373 -2.8373 -2.8372 -2.8372 -2.2365 -2.2365 -2.2365 -2.2365 -0.1803 -0.1803 -0.1802 -0.1802 2.8864 2.8864 2.8865 2.8865 7.2622 7.2622 7.2622 7.2622 8.5996 8.5996 8.5996 8.5996 k = 0.5000 0.4861 0.1820 ( 15016 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6092 -42.6092 -42.6092 -42.6092 -42.6061 -42.6061 -42.6061 -42.6061 -4.3499 -4.3499 -4.3497 -4.3497 -3.0294 -3.0294 -3.0292 -3.0292 -2.8315 -2.8315 -2.8315 -2.8315 -2.2586 -2.2586 -2.2586 -2.2586 -0.0574 -0.0574 -0.0573 -0.0573 2.8082 2.8082 2.8083 2.8083 7.2683 7.2683 7.2684 7.2684 8.6210 8.6210 8.6210 8.6210 k = 0.5000 0.4861 0.1960 ( 15020 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6091 -42.6091 -42.6090 -42.6090 -42.6062 -42.6062 -42.6062 -42.6062 -4.3192 -4.3192 -4.3190 -4.3190 -3.1032 -3.1032 -3.1031 -3.1031 -2.8180 -2.8180 -2.8180 -2.8180 -2.2818 -2.2818 -2.2818 -2.2818 0.0672 0.0672 0.0673 0.0673 2.7235 2.7235 2.7236 2.7236 7.2848 7.2848 7.2849 7.2849 8.6426 8.6426 8.6426 8.6426 k = 0.5000 0.4861 0.2100 ( 15008 PWs) bands (ev): -96.9412 -96.9412 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6089 -42.6089 -42.6089 -42.6089 -42.6063 -42.6063 -42.6063 -42.6063 -4.2862 -4.2862 -4.2861 -4.2861 -3.1775 -3.1775 -3.1774 -3.1774 -2.8015 -2.8015 -2.8014 -2.8014 -2.3060 -2.3060 -2.3060 -2.3060 0.1933 0.1933 0.1934 0.1934 2.6326 2.6326 2.6328 2.6328 7.3117 7.3117 7.3117 7.3117 8.6633 8.6633 8.6633 8.6633 k = 0.5000 0.4861 0.2240 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6088 -42.6088 -42.6088 -42.6088 -42.6065 -42.6065 -42.6065 -42.6065 -4.2510 -4.2510 -4.2509 -4.2509 -3.2510 -3.2510 -3.2509 -3.2509 -2.7830 -2.7830 -2.7830 -2.7830 -2.3310 -2.3310 -2.3309 -2.3309 0.3206 0.3206 0.3208 0.3208 2.5361 2.5361 2.5362 2.5362 7.3486 7.3486 7.3487 7.3487 8.6812 8.6812 8.6812 8.6812 k = 0.5000 0.4861 0.2380 ( 15012 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9408 -96.9408 -96.9407 -96.9407 -42.6087 -42.6087 -42.6087 -42.6087 -42.6066 -42.6066 -42.6066 -42.6066 -4.2136 -4.2136 -4.2135 -4.2135 -3.3232 -3.3232 -3.3230 -3.3230 -2.7631 -2.7631 -2.7631 -2.7631 -2.3566 -2.3566 -2.3566 -2.3566 0.4490 0.4490 0.4492 0.4492 2.4342 2.4342 2.4343 2.4343 7.3954 7.3954 7.3954 7.3954 8.6925 8.6925 8.6925 8.6925 k = 0.5000 0.4861 0.2521 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6086 -42.6086 -42.6086 -42.6086 -42.6067 -42.6067 -42.6067 -42.6067 -4.1739 -4.1739 -4.1738 -4.1738 -3.3938 -3.3938 -3.3936 -3.3936 -2.7420 -2.7420 -2.7420 -2.7420 -2.3828 -2.3828 -2.3828 -2.3828 0.5782 0.5782 0.5784 0.5784 2.3276 2.3276 2.3277 2.3277 7.4514 7.4514 7.4515 7.4515 8.6896 8.6896 8.6896 8.6896 k = 0.5000 0.4861 0.2661 ( 15004 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6085 -42.6085 -42.6084 -42.6084 -42.6068 -42.6068 -42.6068 -42.6068 -4.1321 -4.1321 -4.1320 -4.1320 -3.4626 -3.4626 -3.4625 -3.4625 -2.7199 -2.7199 -2.7199 -2.7199 -2.4093 -2.4093 -2.4093 -2.4093 0.7081 0.7081 0.7082 0.7082 2.2166 2.2166 2.2167 2.2167 7.5164 7.5164 7.5164 7.5164 8.6604 8.6604 8.6604 8.6604 k = 0.5000 0.4861 0.2801 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6083 -42.6083 -42.6083 -42.6083 -42.6070 -42.6070 -42.6070 -42.6070 -4.0880 -4.0880 -4.0879 -4.0879 -3.5296 -3.5296 -3.5295 -3.5295 -2.6968 -2.6968 -2.6968 -2.6968 -2.4362 -2.4362 -2.4362 -2.4362 0.8383 0.8383 0.8385 0.8385 2.1018 2.1018 2.1019 2.1019 7.5897 7.5897 7.5897 7.5897 8.5961 8.5961 8.5962 8.5962 k = 0.5000 0.4861 0.2941 ( 15020 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6082 -42.6082 -42.6082 -42.6082 -42.6071 -42.6071 -42.6071 -42.6071 -4.0418 -4.0418 -4.0416 -4.0416 -3.5948 -3.5948 -3.5946 -3.5946 -2.6729 -2.6729 -2.6729 -2.6729 -2.4633 -2.4633 -2.4633 -2.4633 0.9687 0.9687 0.9688 0.9688 1.9836 1.9836 1.9838 1.9838 7.6708 7.6708 7.6709 7.6709 8.5036 8.5036 8.5037 8.5037 k = 0.5000 0.4861 0.3081 ( 15016 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6081 -42.6081 -42.6081 -42.6081 -42.6072 -42.6072 -42.6072 -42.6072 -3.9933 -3.9933 -3.9932 -3.9932 -3.6579 -3.6579 -3.6578 -3.6578 -2.6483 -2.6483 -2.6483 -2.6483 -2.4904 -2.4904 -2.4904 -2.4904 1.0990 1.0990 1.0991 1.0991 1.8626 1.8626 1.8628 1.8628 7.7593 7.7593 7.7593 7.7593 8.3965 8.3965 8.3966 8.3966 k = 0.5000 0.4861 0.3221 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6079 -42.6079 -42.6079 -42.6079 -42.6074 -42.6074 -42.6074 -42.6074 -3.9427 -3.9427 -3.9426 -3.9426 -3.7190 -3.7190 -3.7189 -3.7189 -2.6231 -2.6231 -2.6231 -2.6231 -2.5175 -2.5175 -2.5175 -2.5175 1.2289 1.2289 1.2291 1.2291 1.7392 1.7392 1.7393 1.7393 7.8544 7.8544 7.8544 7.8544 8.2842 8.2842 8.2843 8.2843 k = 0.5000 0.4861 0.3361 ( 14996 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6078 -42.6078 -42.6078 -42.6078 -42.6075 -42.6075 -42.6075 -42.6075 -3.8900 -3.8900 -3.8898 -3.8898 -3.7781 -3.7781 -3.7779 -3.7779 -2.5973 -2.5973 -2.5973 -2.5973 -2.5444 -2.5444 -2.5444 -2.5444 1.3582 1.3582 1.3584 1.3584 1.6137 1.6137 1.6138 1.6138 7.9554 7.9554 7.9554 7.9554 8.1717 8.1717 8.1717 8.1717 k = 0.5000 0.4861 0.3501 ( 15000 PWs) bands (ev): -96.9411 -96.9411 -96.9411 -96.9411 -96.9407 -96.9407 -96.9407 -96.9407 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -42.6076 -3.8351 -3.8351 -3.8351 -3.8351 -3.8349 -3.8349 -3.8349 -3.8349 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 -2.5710 1.4866 1.4866 1.4866 1.4866 1.4867 1.4867 1.4867 1.4867 8.0615 8.0615 8.0615 8.0615 8.0616 8.0616 8.0616 8.0616 Writing output data file LiBeH3.save init_run : 0.42s CPU 0.57s WALL ( 1 calls) electrons : 365.40s CPU 369.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 365.39s CPU 369.13s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.26s WALL ( 396 calls) cegterg : 307.40s CPU 309.63s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 248.89s CPU 250.77s WALL ( 7504 calls) s_psi : 8.60s CPU 8.62s WALL ( 7504 calls) g_psi : 0.82s CPU 0.85s WALL ( 6636 calls) cdiaghg : 48.33s CPU 48.91s WALL ( 7032 calls) cegterg:over : 17.14s CPU 17.23s WALL ( 6636 calls) cegterg:upda : 18.29s CPU 18.30s WALL ( 6636 calls) cegterg:last : 9.39s CPU 9.47s WALL ( 1286 calls) cdiaghg:chol : 2.80s CPU 2.88s WALL ( 7032 calls) cdiaghg:inve : 1.94s CPU 1.88s WALL ( 7032 calls) cdiaghg:para : 2.82s CPU 2.85s WALL ( 14064 calls) Called by h_psi: h_psi:vloc : 227.14s CPU 228.83s WALL ( 7504 calls) h_psi:vnl : 20.62s CPU 20.90s WALL ( 7504 calls) add_vuspsi : 8.82s CPU 8.98s WALL ( 7504 calls) General routines calbec : 11.76s CPU 11.90s WALL ( 7504 calls) fft : 0.02s CPU 0.03s WALL ( 18 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 207.69s CPU 209.30s WALL ( 881008 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 0.80s WALL ( 792 calls) Parallel routines fft_scatter : 61.59s CPU 61.98s WALL ( 881030 calls) PWSCF : 6m47.62s CPU 7m11.39s WALL This run was terminated on: 14:32:18 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=