Program PWSCF v.5.4.0 starts on 3Aug2017 at 20:23:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiAlH4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 123 123 33 7338 7338 1040 Max 124 124 34 7342 7342 1046 Sum 4437 4437 1207 264227 264227 37549 bravais-lattice index = 14 lattice parameter (alat) = 14.7890 a.u. unit-cell volume = 1871.5702 (a.u.)^3 number of atoms/cell = 24 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 = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.788996 celldm(2)= 0.619090 celldm(3)= 1.011628 celldm(4)= 0.382683 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.619090 0.000000 ) a(3) = ( 0.000000 0.387133 0.934622 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.615273 -0.669068 ) b(3) = ( 0.000000 0.000000 1.069951 ) 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.1935666 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4673112 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.1935666 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4673112 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 224 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0000000 0.0000000 0.0243171), wk = 0.0044643 k( 3) = ( 0.0000000 0.0000000 0.0486341), wk = 0.0044643 k( 4) = ( 0.0000000 0.0000000 0.0729512), wk = 0.0044643 k( 5) = ( 0.0000000 0.0000000 0.0972683), wk = 0.0044643 k( 6) = ( 0.0000000 0.0000000 0.1215853), wk = 0.0044643 k( 7) = ( 0.0000000 0.0000000 0.1459024), wk = 0.0044643 k( 8) = ( 0.0000000 0.0000000 0.1702195), wk = 0.0044643 k( 9) = ( 0.0000000 0.0000000 0.1945365), wk = 0.0044643 k( 10) = ( 0.0000000 0.0000000 0.2188536), wk = 0.0044643 k( 11) = ( 0.0000000 0.0000000 0.2431707), wk = 0.0044643 k( 12) = ( 0.0000000 0.0000000 0.2674877), wk = 0.0044643 k( 13) = ( 0.0000000 0.0000000 0.2918048), wk = 0.0044643 k( 14) = ( 0.0000000 0.0000000 0.3161219), wk = 0.0044643 k( 15) = ( 0.0000000 0.0000000 0.3404389), wk = 0.0044643 k( 16) = ( 0.0000000 0.0000000 0.3647560), wk = 0.0044643 k( 17) = ( 0.0000000 0.0000000 0.3890731), wk = 0.0044643 k( 18) = ( 0.0000000 0.0000000 0.4133901), wk = 0.0044643 k( 19) = ( 0.0000000 0.0000000 0.4377072), wk = 0.0044643 k( 20) = ( 0.0000000 0.0000000 0.4620243), wk = 0.0044643 k( 21) = ( 0.0000000 0.0000000 0.4863413), wk = 0.0044643 k( 22) = ( 0.0000000 0.0000000 0.5106584), wk = 0.0044643 k( 23) = ( 0.0000000 0.0000000 0.5349755), wk = 0.0044643 k( 24) = ( 0.0000000 0.0000000 0.5349755), wk = 0.0044643 k( 25) = ( 0.0000000 0.0241537 0.5349755), wk = 0.0044643 k( 26) = ( 0.0000000 0.0483074 0.5349755), wk = 0.0044643 k( 27) = ( 0.0000000 0.0724611 0.5349755), wk = 0.0044643 k( 28) = ( 0.0000000 0.0966148 0.5349755), wk = 0.0044643 k( 29) = ( 0.0000000 0.1207685 0.5349754), wk = 0.0044643 k( 30) = ( 0.0000000 0.1449222 0.5349755), wk = 0.0044643 k( 31) = ( 0.0000000 0.1690759 0.5349755), wk = 0.0044643 k( 32) = ( 0.0000000 0.1932297 0.5349755), wk = 0.0044643 k( 33) = ( 0.0000000 0.2173834 0.5349755), wk = 0.0044643 k( 34) = ( 0.0000000 0.2415371 0.5349755), wk = 0.0044643 k( 35) = ( 0.0000000 0.2656908 0.5349755), wk = 0.0044643 k( 36) = ( 0.0000000 0.2898445 0.5349755), wk = 0.0044643 k( 37) = ( 0.0000000 0.3139982 0.5349755), wk = 0.0044643 k( 38) = ( 0.0000000 0.3381519 0.5349755), wk = 0.0044643 k( 39) = ( 0.0000000 0.3623056 0.5349755), wk = 0.0044643 k( 40) = ( 0.0000000 0.3864593 0.5349754), wk = 0.0044643 k( 41) = ( 0.0000000 0.4106130 0.5349755), wk = 0.0044643 k( 42) = ( 0.0000000 0.4347667 0.5349755), wk = 0.0044643 k( 43) = ( 0.0000000 0.4589204 0.5349754), wk = 0.0044643 k( 44) = ( 0.0000000 0.4830741 0.5349755), wk = 0.0044643 k( 45) = ( 0.0000000 0.5072278 0.5349755), wk = 0.0044643 k( 46) = ( 0.0000000 0.5313816 0.5349755), wk = 0.0044643 k( 47) = ( 0.0000000 0.5555353 0.5349755), wk = 0.0044643 k( 48) = ( 0.0000000 0.5796890 0.5349755), wk = 0.0044643 k( 49) = ( 0.0000000 0.6038427 0.5349755), wk = 0.0044643 k( 50) = ( 0.0000000 0.6279964 0.5349755), wk = 0.0044643 k( 51) = ( 0.0000000 0.6521501 0.5349755), wk = 0.0044643 k( 52) = ( 0.0000000 0.6763038 0.5349755), wk = 0.0044643 k( 53) = ( 0.0000000 0.7004575 0.5349755), wk = 0.0044643 k( 54) = ( 0.0000000 0.7246112 0.5349754), wk = 0.0044643 k( 55) = ( 0.0000000 0.7246112 0.5349754), wk = 0.0044643 k( 56) = ( 0.0000000 0.7305416 0.5110802), wk = 0.0044643 k( 57) = ( 0.0000000 0.7364720 0.4871849), wk = 0.0044643 k( 58) = ( 0.0000000 0.7424024 0.4632896), wk = 0.0044643 k( 59) = ( 0.0000000 0.7483328 0.4393943), wk = 0.0044643 k( 60) = ( 0.0000000 0.7542632 0.4154990), wk = 0.0044643 k( 61) = ( 0.0000000 0.7601936 0.3916037), wk = 0.0044643 k( 62) = ( 0.0000000 0.7661240 0.3677084), wk = 0.0044643 k( 63) = ( 0.0000000 0.7720544 0.3438131), wk = 0.0044643 k( 64) = ( 0.0000000 0.7779848 0.3199178), wk = 0.0044643 k( 65) = ( 0.0000000 0.7839152 0.2960225), wk = 0.0044643 k( 66) = ( 0.0000000 0.7898456 0.2721272), wk = 0.0044643 k( 67) = ( 0.0000000 0.7957759 0.2482319), wk = 0.0044643 k( 68) = ( 0.0000000 0.8017063 0.2243367), wk = 0.0044643 k( 69) = ( 0.0000000 0.8076367 0.2004414), wk = 0.0044643 k( 70) = ( 0.0000000 0.8076367 0.2004414), wk = 0.0044643 k( 71) = ( 0.0238095 0.8076367 0.2004414), wk = 0.0044643 k( 72) = ( 0.0476191 0.8076367 0.2004414), wk = 0.0044643 k( 73) = ( 0.0714286 0.8076367 0.2004414), wk = 0.0044643 k( 74) = ( 0.0952381 0.8076367 0.2004414), wk = 0.0044643 k( 75) = ( 0.1190476 0.8076367 0.2004414), wk = 0.0044643 k( 76) = ( 0.1428571 0.8076367 0.2004414), wk = 0.0044643 k( 77) = ( 0.1666667 0.8076367 0.2004414), wk = 0.0044643 k( 78) = ( 0.1904762 0.8076367 0.2004414), wk = 0.0044643 k( 79) = ( 0.2142857 0.8076367 0.2004414), wk = 0.0044643 k( 80) = ( 0.2380952 0.8076367 0.2004414), wk = 0.0044643 k( 81) = ( 0.2619048 0.8076367 0.2004414), wk = 0.0044643 k( 82) = ( 0.2857143 0.8076367 0.2004414), wk = 0.0044643 k( 83) = ( 0.3095238 0.8076367 0.2004414), wk = 0.0044643 k( 84) = ( 0.3333333 0.8076367 0.2004414), wk = 0.0044643 k( 85) = ( 0.3571429 0.8076367 0.2004414), wk = 0.0044643 k( 86) = ( 0.3809524 0.8076367 0.2004414), wk = 0.0044643 k( 87) = ( 0.4047619 0.8076367 0.2004414), wk = 0.0044643 k( 88) = ( 0.4285714 0.8076367 0.2004414), wk = 0.0044643 k( 89) = ( 0.4523810 0.8076367 0.2004414), wk = 0.0044643 k( 90) = ( 0.4761905 0.8076367 0.2004414), wk = 0.0044643 k( 91) = ( 0.5000000 0.8076367 0.2004414), wk = 0.0044643 k( 92) = ( 0.5000000 0.8076367 0.2004414), wk = 0.0044643 k( 93) = ( 0.5000000 0.8135671 0.1765461), wk = 0.0044643 k( 94) = ( 0.5000000 0.8194975 0.1526508), wk = 0.0044643 k( 95) = ( 0.5000000 0.8254279 0.1287555), wk = 0.0044643 k( 96) = ( 0.5000000 0.8313583 0.1048602), wk = 0.0044643 k( 97) = ( 0.5000000 0.8372887 0.0809649), wk = 0.0044643 k( 98) = ( 0.5000000 0.8432191 0.0570696), wk = 0.0044643 k( 99) = ( 0.5000000 0.8491495 0.0331743), wk = 0.0044643 k( 100) = ( 0.5000000 0.8550799 0.0092790), wk = 0.0044643 k( 101) = ( 0.5000000 0.8610103 -0.0146163), wk = 0.0044643 k( 102) = ( 0.5000000 0.8669407 -0.0385116), wk = 0.0044643 k( 103) = ( 0.5000000 0.8728711 -0.0624068), wk = 0.0044643 k( 104) = ( 0.5000000 0.8788015 -0.0863021), wk = 0.0044643 k( 105) = ( 0.5000000 0.8847319 -0.1101974), wk = 0.0044643 k( 106) = ( 0.5000000 0.8906623 -0.1340927), wk = 0.0044643 k( 107) = ( 0.5000000 0.8906623 -0.1340927), wk = 0.0044643 k( 108) = ( 0.5000000 0.8814372 -0.1563640), wk = 0.0044643 k( 109) = ( 0.5000000 0.8722122 -0.1786353), wk = 0.0044643 k( 110) = ( 0.5000000 0.8629871 -0.2009065), wk = 0.0044643 k( 111) = ( 0.5000000 0.8537620 -0.2231778), wk = 0.0044643 k( 112) = ( 0.5000000 0.8445370 -0.2454490), wk = 0.0044643 k( 113) = ( 0.5000000 0.8353119 -0.2677203), wk = 0.0044643 k( 114) = ( 0.5000000 0.8260869 -0.2899916), wk = 0.0044643 k( 115) = ( 0.5000000 0.8168618 -0.3122628), wk = 0.0044643 k( 116) = ( 0.5000000 0.8076367 -0.3345341), wk = 0.0044643 k( 117) = ( 0.5000000 0.8076367 -0.3345341), wk = 0.0044643 k( 118) = ( 0.4761905 0.8076367 -0.3345341), wk = 0.0044643 k( 119) = ( 0.4523810 0.8076367 -0.3345341), wk = 0.0044643 k( 120) = ( 0.4285714 0.8076367 -0.3345341), wk = 0.0044643 k( 121) = ( 0.4047619 0.8076367 -0.3345341), wk = 0.0044643 k( 122) = ( 0.3809524 0.8076367 -0.3345341), wk = 0.0044643 k( 123) = ( 0.3571429 0.8076367 -0.3345341), wk = 0.0044643 k( 124) = ( 0.3333333 0.8076367 -0.3345341), wk = 0.0044643 k( 125) = ( 0.3095238 0.8076367 -0.3345341), wk = 0.0044643 k( 126) = ( 0.2857143 0.8076367 -0.3345341), wk = 0.0044643 k( 127) = ( 0.2619048 0.8076367 -0.3345341), wk = 0.0044643 k( 128) = ( 0.2380952 0.8076367 -0.3345341), wk = 0.0044643 k( 129) = ( 0.2142857 0.8076367 -0.3345341), wk = 0.0044643 k( 130) = ( 0.1904762 0.8076367 -0.3345341), wk = 0.0044643 k( 131) = ( 0.1666667 0.8076367 -0.3345341), wk = 0.0044643 k( 132) = ( 0.1428571 0.8076367 -0.3345341), wk = 0.0044643 k( 133) = ( 0.1190476 0.8076367 -0.3345341), wk = 0.0044643 k( 134) = ( 0.0952381 0.8076367 -0.3345341), wk = 0.0044643 k( 135) = ( 0.0714286 0.8076367 -0.3345341), wk = 0.0044643 k( 136) = ( 0.0476191 0.8076367 -0.3345341), wk = 0.0044643 k( 137) = ( 0.0238095 0.8076367 -0.3345341), wk = 0.0044643 k( 138) = ( 0.0000000 0.8076367 -0.3345341), wk = 0.0044643 k( 139) = ( 0.0000000 0.8076367 -0.3345341), wk = 0.0044643 k( 140) = ( 0.0000000 0.8168618 -0.3122628), wk = 0.0044643 k( 141) = ( 0.0000000 0.8260869 -0.2899916), wk = 0.0044643 k( 142) = ( 0.0000000 0.8353119 -0.2677203), wk = 0.0044643 k( 143) = ( 0.0000000 0.8445370 -0.2454490), wk = 0.0044643 k( 144) = ( 0.0000000 0.8537620 -0.2231778), wk = 0.0044643 k( 145) = ( 0.0000000 0.8629871 -0.2009065), wk = 0.0044643 k( 146) = ( 0.0000000 0.8722122 -0.1786353), wk = 0.0044643 k( 147) = ( 0.0000000 0.8814372 -0.1563640), wk = 0.0044643 k( 148) = ( 0.0000000 0.8906623 -0.1340927), wk = 0.0044643 k( 149) = ( 0.5000000 0.7246112 0.5349754), wk = 0.0044643 k( 150) = ( 0.5000000 0.7004575 0.5349755), wk = 0.0044643 k( 151) = ( 0.5000000 0.6763038 0.5349755), wk = 0.0044643 k( 152) = ( 0.5000000 0.6521501 0.5349755), wk = 0.0044643 k( 153) = ( 0.5000000 0.6279964 0.5349755), wk = 0.0044643 k( 154) = ( 0.5000000 0.6038427 0.5349755), wk = 0.0044643 k( 155) = ( 0.5000000 0.5796890 0.5349755), wk = 0.0044643 k( 156) = ( 0.5000000 0.5555353 0.5349755), wk = 0.0044643 k( 157) = ( 0.5000000 0.5313816 0.5349755), wk = 0.0044643 k( 158) = ( 0.5000000 0.5072278 0.5349755), wk = 0.0044643 k( 159) = ( 0.5000000 0.4830741 0.5349755), wk = 0.0044643 k( 160) = ( 0.5000000 0.4589204 0.5349754), wk = 0.0044643 k( 161) = ( 0.5000000 0.4347667 0.5349755), wk = 0.0044643 k( 162) = ( 0.5000000 0.4106130 0.5349755), wk = 0.0044643 k( 163) = ( 0.5000000 0.3864593 0.5349754), wk = 0.0044643 k( 164) = ( 0.5000000 0.3623056 0.5349755), wk = 0.0044643 k( 165) = ( 0.5000000 0.3381519 0.5349755), wk = 0.0044643 k( 166) = ( 0.5000000 0.3139982 0.5349755), wk = 0.0044643 k( 167) = ( 0.5000000 0.2898445 0.5349755), wk = 0.0044643 k( 168) = ( 0.5000000 0.2656908 0.5349755), wk = 0.0044643 k( 169) = ( 0.5000000 0.2415371 0.5349755), wk = 0.0044643 k( 170) = ( 0.5000000 0.2173834 0.5349755), wk = 0.0044643 k( 171) = ( 0.5000000 0.1932297 0.5349755), wk = 0.0044643 k( 172) = ( 0.5000000 0.1690759 0.5349755), wk = 0.0044643 k( 173) = ( 0.5000000 0.1449222 0.5349755), wk = 0.0044643 k( 174) = ( 0.5000000 0.1207685 0.5349754), wk = 0.0044643 k( 175) = ( 0.5000000 0.0966148 0.5349755), wk = 0.0044643 k( 176) = ( 0.5000000 0.0724611 0.5349755), wk = 0.0044643 k( 177) = ( 0.5000000 0.0483074 0.5349755), wk = 0.0044643 k( 178) = ( 0.5000000 0.0241537 0.5349755), wk = 0.0044643 k( 179) = ( 0.5000000 -0.0000000 0.5349755), wk = 0.0044643 k( 180) = ( 0.5000000 -0.0000000 0.5349755), wk = 0.0044643 k( 181) = ( 0.5000000 -0.0000000 0.5106584), wk = 0.0044643 k( 182) = ( 0.5000000 -0.0000000 0.4863413), wk = 0.0044643 k( 183) = ( 0.5000000 -0.0000000 0.4620243), wk = 0.0044643 k( 184) = ( 0.5000000 -0.0000000 0.4377072), wk = 0.0044643 k( 185) = ( 0.5000000 -0.0000000 0.4133901), wk = 0.0044643 k( 186) = ( 0.5000000 -0.0000000 0.3890731), wk = 0.0044643 k( 187) = ( 0.5000000 -0.0000000 0.3647560), wk = 0.0044643 k( 188) = ( 0.5000000 -0.0000000 0.3404389), wk = 0.0044643 k( 189) = ( 0.5000000 -0.0000000 0.3161219), wk = 0.0044643 k( 190) = ( 0.5000000 -0.0000000 0.2918048), wk = 0.0044643 k( 191) = ( 0.5000000 -0.0000000 0.2674877), wk = 0.0044643 k( 192) = ( 0.5000000 -0.0000000 0.2431707), wk = 0.0044643 k( 193) = ( 0.5000000 -0.0000000 0.2188536), wk = 0.0044643 k( 194) = ( 0.5000000 -0.0000000 0.1945365), wk = 0.0044643 k( 195) = ( 0.5000000 -0.0000000 0.1702195), wk = 0.0044643 k( 196) = ( 0.5000000 -0.0000000 0.1459024), wk = 0.0044643 k( 197) = ( 0.5000000 -0.0000000 0.1215853), wk = 0.0044643 k( 198) = ( 0.5000000 -0.0000000 0.0972683), wk = 0.0044643 k( 199) = ( 0.5000000 -0.0000000 0.0729512), wk = 0.0044643 k( 200) = ( 0.5000000 -0.0000000 0.0486341), wk = 0.0044643 k( 201) = ( 0.5000000 -0.0000000 0.0243171), wk = 0.0044643 k( 202) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044643 k( 203) = ( 0.0000000 0.0000000 0.5349755), wk = 0.0044643 k( 204) = ( 0.0238095 -0.0000000 0.5349755), wk = 0.0044643 k( 205) = ( 0.0476191 -0.0000000 0.5349755), wk = 0.0044643 k( 206) = ( 0.0714286 -0.0000000 0.5349755), wk = 0.0044643 k( 207) = ( 0.0952381 -0.0000000 0.5349755), wk = 0.0044643 k( 208) = ( 0.1190476 -0.0000000 0.5349755), wk = 0.0044643 k( 209) = ( 0.1428571 -0.0000000 0.5349755), wk = 0.0044643 k( 210) = ( 0.1666667 -0.0000000 0.5349755), wk = 0.0044643 k( 211) = ( 0.1904762 -0.0000000 0.5349755), wk = 0.0044643 k( 212) = ( 0.2142857 -0.0000000 0.5349755), wk = 0.0044643 k( 213) = ( 0.2380952 -0.0000000 0.5349755), wk = 0.0044643 k( 214) = ( 0.2619048 -0.0000000 0.5349755), wk = 0.0044643 k( 215) = ( 0.2857143 -0.0000000 0.5349755), wk = 0.0044643 k( 216) = ( 0.3095238 -0.0000000 0.5349755), wk = 0.0044643 k( 217) = ( 0.3333333 -0.0000000 0.5349755), wk = 0.0044643 k( 218) = ( 0.3571429 -0.0000000 0.5349755), wk = 0.0044643 k( 219) = ( 0.3809524 -0.0000000 0.5349755), wk = 0.0044643 k( 220) = ( 0.4047619 -0.0000000 0.5349755), wk = 0.0044643 k( 221) = ( 0.4285714 -0.0000000 0.5349755), wk = 0.0044643 k( 222) = ( 0.4523810 -0.0000000 0.5349755), wk = 0.0044643 k( 223) = ( 0.4761905 -0.0000000 0.5349755), wk = 0.0044643 k( 224) = ( 0.5000000 -0.0000000 0.5349755), wk = 0.0044643 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0044643 k( 3) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0044643 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0044643 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0044643 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0044643 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0044643 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0044643 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0044643 k( 10) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0044643 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0044643 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0044643 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0044643 k( 14) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0044643 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0044643 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0044643 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0044643 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0044643 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0044643 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0044643 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0044643 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0044643 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 25) = ( 0.0000000 0.0149533 0.5093507), wk = 0.0044643 k( 26) = ( 0.0000000 0.0299067 0.5187014), wk = 0.0044643 k( 27) = ( 0.0000000 0.0448600 0.5280521), wk = 0.0044643 k( 28) = ( 0.0000000 0.0598133 0.5374028), wk = 0.0044643 k( 29) = ( 0.0000000 0.0747666 0.5467535), wk = 0.0044643 k( 30) = ( 0.0000000 0.0897199 0.5561042), wk = 0.0044643 k( 31) = ( 0.0000000 0.1046733 0.5654549), wk = 0.0044643 k( 32) = ( 0.0000000 0.1196266 0.5748056), wk = 0.0044643 k( 33) = ( 0.0000000 0.1345799 0.5841563), wk = 0.0044643 k( 34) = ( 0.0000000 0.1495332 0.5935070), wk = 0.0044643 k( 35) = ( 0.0000000 0.1644866 0.6028577), wk = 0.0044643 k( 36) = ( 0.0000000 0.1794399 0.6122084), wk = 0.0044643 k( 37) = ( 0.0000000 0.1943932 0.6215591), wk = 0.0044643 k( 38) = ( 0.0000000 0.2093465 0.6309098), wk = 0.0044643 k( 39) = ( 0.0000000 0.2242999 0.6402605), wk = 0.0044643 k( 40) = ( 0.0000000 0.2392532 0.6496112), wk = 0.0044643 k( 41) = ( 0.0000000 0.2542065 0.6589620), wk = 0.0044643 k( 42) = ( 0.0000000 0.2691598 0.6683126), wk = 0.0044643 k( 43) = ( 0.0000000 0.2841131 0.6776633), wk = 0.0044643 k( 44) = ( 0.0000000 0.2990665 0.6870141), wk = 0.0044643 k( 45) = ( 0.0000000 0.3140198 0.6963648), wk = 0.0044643 k( 46) = ( 0.0000000 0.3289731 0.7057155), wk = 0.0044643 k( 47) = ( 0.0000000 0.3439264 0.7150662), wk = 0.0044643 k( 48) = ( 0.0000000 0.3588798 0.7244169), wk = 0.0044643 k( 49) = ( 0.0000000 0.3738331 0.7337676), wk = 0.0044643 k( 50) = ( 0.0000000 0.3887864 0.7431183), wk = 0.0044643 k( 51) = ( 0.0000000 0.4037397 0.7524690), wk = 0.0044643 k( 52) = ( 0.0000000 0.4186931 0.7618197), wk = 0.0044643 k( 53) = ( 0.0000000 0.4336464 0.7711704), wk = 0.0044643 k( 54) = ( 0.0000000 0.4485997 0.7805211), wk = 0.0044643 k( 55) = ( 0.0000000 0.4485997 0.7805211), wk = 0.0044643 k( 56) = ( 0.0000000 0.4522712 0.7604839), wk = 0.0044643 k( 57) = ( 0.0000000 0.4559426 0.7404466), wk = 0.0044643 k( 58) = ( 0.0000000 0.4596140 0.7204094), wk = 0.0044643 k( 59) = ( 0.0000000 0.4632855 0.7003722), wk = 0.0044643 k( 60) = ( 0.0000000 0.4669569 0.6803350), wk = 0.0044643 k( 61) = ( 0.0000000 0.4706284 0.6602978), wk = 0.0044643 k( 62) = ( 0.0000000 0.4742999 0.6402605), wk = 0.0044643 k( 63) = ( 0.0000000 0.4779713 0.6202233), wk = 0.0044643 k( 64) = ( 0.0000000 0.4816428 0.6001861), wk = 0.0044643 k( 65) = ( 0.0000000 0.4853142 0.5801489), wk = 0.0044643 k( 66) = ( 0.0000000 0.4889856 0.5601117), wk = 0.0044643 k( 67) = ( 0.0000000 0.4926571 0.5400744), wk = 0.0044643 k( 68) = ( 0.0000000 0.4963285 0.5200372), wk = 0.0044643 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044643 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044643 k( 71) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0044643 k( 72) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0044643 k( 73) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0044643 k( 74) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0044643 k( 75) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0044643 k( 76) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0044643 k( 77) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0044643 k( 78) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0044643 k( 79) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0044643 k( 80) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0044643 k( 81) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0044643 k( 82) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0044643 k( 83) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0044643 k( 84) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0044643 k( 85) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0044643 k( 86) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0044643 k( 87) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0044643 k( 88) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0044643 k( 89) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0044643 k( 90) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0044643 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044643 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044643 k( 93) = ( 0.5000000 0.5036715 0.4799628), wk = 0.0044643 k( 94) = ( 0.5000000 0.5073429 0.4599256), wk = 0.0044643 k( 95) = ( 0.5000000 0.5110143 0.4398883), wk = 0.0044643 k( 96) = ( 0.5000000 0.5146858 0.4198511), wk = 0.0044643 k( 97) = ( 0.5000000 0.5183572 0.3998139), wk = 0.0044643 k( 98) = ( 0.5000000 0.5220287 0.3797767), wk = 0.0044643 k( 99) = ( 0.5000000 0.5257002 0.3597395), wk = 0.0044643 k( 100) = ( 0.5000000 0.5293716 0.3397022), wk = 0.0044643 k( 101) = ( 0.5000000 0.5330430 0.3196650), wk = 0.0044643 k( 102) = ( 0.5000000 0.5367145 0.2996278), wk = 0.0044643 k( 103) = ( 0.5000000 0.5403860 0.2795906), wk = 0.0044643 k( 104) = ( 0.5000000 0.5440574 0.2595534), wk = 0.0044643 k( 105) = ( 0.5000000 0.5477288 0.2395161), wk = 0.0044643 k( 106) = ( 0.5000000 0.5514003 0.2194789), wk = 0.0044643 k( 107) = ( 0.5000000 0.5514003 0.2194789), wk = 0.0044643 k( 108) = ( 0.5000000 0.5456891 0.1950924), wk = 0.0044643 k( 109) = ( 0.5000000 0.5399780 0.1707058), wk = 0.0044643 k( 110) = ( 0.5000000 0.5342669 0.1463193), wk = 0.0044643 k( 111) = ( 0.5000000 0.5285557 0.1219327), wk = 0.0044643 k( 112) = ( 0.5000000 0.5228446 0.0975462), wk = 0.0044643 k( 113) = ( 0.5000000 0.5171334 0.0731596), wk = 0.0044643 k( 114) = ( 0.5000000 0.5114223 0.0487731), wk = 0.0044643 k( 115) = ( 0.5000000 0.5057111 0.0243866), wk = 0.0044643 k( 116) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044643 k( 117) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044643 k( 118) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0044643 k( 119) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0044643 k( 120) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0044643 k( 121) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0044643 k( 122) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0044643 k( 123) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0044643 k( 124) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0044643 k( 125) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0044643 k( 126) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0044643 k( 127) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0044643 k( 128) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0044643 k( 129) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0044643 k( 130) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0044643 k( 131) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0044643 k( 132) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0044643 k( 133) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0044643 k( 134) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0044643 k( 135) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0044643 k( 136) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0044643 k( 137) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0044643 k( 138) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044643 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044643 k( 140) = ( 0.0000000 0.5057111 0.0243866), wk = 0.0044643 k( 141) = ( 0.0000000 0.5114223 0.0487731), wk = 0.0044643 k( 142) = ( 0.0000000 0.5171334 0.0731596), wk = 0.0044643 k( 143) = ( 0.0000000 0.5228446 0.0975462), wk = 0.0044643 k( 144) = ( 0.0000000 0.5285557 0.1219327), wk = 0.0044643 k( 145) = ( 0.0000000 0.5342669 0.1463193), wk = 0.0044643 k( 146) = ( 0.0000000 0.5399780 0.1707058), wk = 0.0044643 k( 147) = ( 0.0000000 0.5456891 0.1950924), wk = 0.0044643 k( 148) = ( 0.0000000 0.5514003 0.2194789), wk = 0.0044643 k( 149) = ( 0.5000000 0.4485997 0.7805211), wk = 0.0044643 k( 150) = ( 0.5000000 0.4336464 0.7711704), wk = 0.0044643 k( 151) = ( 0.5000000 0.4186931 0.7618197), wk = 0.0044643 k( 152) = ( 0.5000000 0.4037397 0.7524690), wk = 0.0044643 k( 153) = ( 0.5000000 0.3887864 0.7431183), wk = 0.0044643 k( 154) = ( 0.5000000 0.3738331 0.7337676), wk = 0.0044643 k( 155) = ( 0.5000000 0.3588798 0.7244169), wk = 0.0044643 k( 156) = ( 0.5000000 0.3439264 0.7150662), wk = 0.0044643 k( 157) = ( 0.5000000 0.3289731 0.7057155), wk = 0.0044643 k( 158) = ( 0.5000000 0.3140198 0.6963648), wk = 0.0044643 k( 159) = ( 0.5000000 0.2990665 0.6870141), wk = 0.0044643 k( 160) = ( 0.5000000 0.2841132 0.6776634), wk = 0.0044643 k( 161) = ( 0.5000000 0.2691598 0.6683127), wk = 0.0044643 k( 162) = ( 0.5000000 0.2542065 0.6589620), wk = 0.0044643 k( 163) = ( 0.5000000 0.2392532 0.6496112), wk = 0.0044643 k( 164) = ( 0.5000000 0.2242999 0.6402605), wk = 0.0044643 k( 165) = ( 0.5000000 0.2093465 0.6309098), wk = 0.0044643 k( 166) = ( 0.5000000 0.1943932 0.6215591), wk = 0.0044643 k( 167) = ( 0.5000000 0.1794399 0.6122084), wk = 0.0044643 k( 168) = ( 0.5000000 0.1644866 0.6028577), wk = 0.0044643 k( 169) = ( 0.5000000 0.1495332 0.5935070), wk = 0.0044643 k( 170) = ( 0.5000000 0.1345799 0.5841563), wk = 0.0044643 k( 171) = ( 0.5000000 0.1196266 0.5748056), wk = 0.0044643 k( 172) = ( 0.5000000 0.1046733 0.5654549), wk = 0.0044643 k( 173) = ( 0.5000000 0.0897199 0.5561042), wk = 0.0044643 k( 174) = ( 0.5000000 0.0747666 0.5467535), wk = 0.0044643 k( 175) = ( 0.5000000 0.0598133 0.5374028), wk = 0.0044643 k( 176) = ( 0.5000000 0.0448600 0.5280521), wk = 0.0044643 k( 177) = ( 0.5000000 0.0299067 0.5187014), wk = 0.0044643 k( 178) = ( 0.5000000 0.0149533 0.5093507), wk = 0.0044643 k( 179) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044643 k( 180) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044643 k( 181) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0044643 k( 182) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0044643 k( 183) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0044643 k( 184) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0044643 k( 185) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0044643 k( 186) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0044643 k( 187) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0044643 k( 188) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0044643 k( 189) = ( 0.5000000 -0.0000000 0.2954546), wk = 0.0044643 k( 190) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0044643 k( 191) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0044643 k( 192) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0044643 k( 193) = ( 0.5000000 -0.0000000 0.2045455), wk = 0.0044643 k( 194) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0044643 k( 195) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0044643 k( 196) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0044643 k( 197) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0044643 k( 198) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0044643 k( 199) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0044643 k( 200) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0044643 k( 201) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0044643 k( 202) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0044643 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 204) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0044643 k( 205) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0044643 k( 206) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0044643 k( 207) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0044643 k( 208) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0044643 k( 209) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0044643 k( 210) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0044643 k( 211) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0044643 k( 212) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0044643 k( 213) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0044643 k( 214) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0044643 k( 215) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0044643 k( 216) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0044643 k( 217) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0044643 k( 218) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0044643 k( 219) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0044643 k( 220) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0044643 k( 221) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0044643 k( 222) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0044643 k( 223) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0044643 k( 224) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044643 Dense grid: 264227 G-vectors FFT dimensions: ( 96, 60, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.35 Mb ( 1846, 48) NL pseudopotentials 3.15 Mb ( 923, 224) Each V/rho on FFT grid 0.26 Mb ( 17280) Each G-vector array 0.06 Mb ( 7341) G-vector shells 0.05 Mb ( 7050) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 5.41 Mb ( 1846, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.33 Mb ( 224, 2, 48) The potential is recalculated from file : ./LiAlH4.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 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 9.3 secs Computing kpt #: 4 total cpu time spent up to now is 11.6 secs Computing kpt #: 5 total cpu time spent up to now is 13.9 secs Computing kpt #: 6 total cpu time spent up to now is 16.2 secs Computing kpt #: 7 total cpu time spent up to now is 18.5 secs Computing kpt #: 8 total cpu time spent up to now is 20.9 secs Computing kpt #: 9 total cpu time spent up to now is 23.4 secs Computing kpt #: 10 total cpu time spent up to now is 25.8 secs Computing kpt #: 11 total cpu time spent up to now is 28.3 secs Computing kpt #: 12 total cpu time spent up to now is 31.0 secs Computing kpt #: 13 total cpu time spent up to now is 33.9 secs Computing kpt #: 14 total cpu time spent up to now is 36.4 secs Computing kpt #: 15 total cpu time spent up to now is 38.9 secs Computing kpt #: 16 total cpu time spent up to now is 41.2 secs Computing kpt #: 17 total cpu time spent up to now is 43.5 secs Computing kpt #: 18 total cpu time spent up to now is 45.8 secs Computing kpt #: 19 total cpu time spent up to now is 48.2 secs Computing kpt #: 20 total cpu time spent up to now is 50.5 secs Computing kpt #: 21 total cpu time spent up to now is 52.9 secs Computing kpt #: 22 total cpu time spent up to now is 55.3 secs Computing kpt #: 23 total cpu time spent up to now is 57.6 secs Computing kpt #: 24 total cpu time spent up to now is 59.9 secs Computing kpt #: 25 total cpu time spent up to now is 62.2 secs Computing kpt #: 26 total cpu time spent up to now is 65.1 secs Computing kpt #: 27 total cpu time spent up to now is 67.6 secs Computing kpt #: 28 total cpu time spent up to now is 69.9 secs Computing kpt #: 29 total cpu time spent up to now is 72.4 secs Computing kpt #: 30 total cpu time spent up to now is 74.7 secs Computing kpt #: 31 total cpu time spent up to now is 77.0 secs Computing kpt #: 32 total cpu time spent up to now is 79.2 secs Computing kpt #: 33 total cpu time spent up to now is 81.4 secs Computing kpt #: 34 total cpu time spent up to now is 83.5 secs Computing kpt #: 35 total cpu time spent up to now is 85.7 secs Computing kpt #: 36 total cpu time spent up to now is 87.9 secs Computing kpt #: 37 total cpu time spent up to now is 90.0 secs Computing kpt #: 38 total cpu time spent up to now is 92.2 secs Computing kpt #: 39 total cpu time spent up to now is 94.4 secs Computing kpt #: 40 total cpu time spent up to now is 96.6 secs Computing kpt #: 41 total cpu time spent up to now is 98.8 secs Computing kpt #: 42 total cpu time spent up to now is 101.0 secs Computing kpt #: 43 total cpu time spent up to now is 103.2 secs Computing kpt #: 44 total cpu time spent up to now is 105.5 secs Computing kpt #: 45 total cpu time spent up to now is 107.7 secs Computing kpt #: 46 total cpu time spent up to now is 109.9 secs Computing kpt #: 47 total cpu time spent up to now is 112.1 secs Computing kpt #: 48 total cpu time spent up to now is 114.3 secs Computing kpt #: 49 total cpu time spent up to now is 116.4 secs Computing kpt #: 50 total cpu time spent up to now is 118.6 secs Computing kpt #: 51 total cpu time spent up to now is 120.8 secs Computing kpt #: 52 total cpu time spent up to now is 122.9 secs Computing kpt #: 53 total cpu time spent up to now is 125.1 secs Computing kpt #: 54 total cpu time spent up to now is 127.2 secs Computing kpt #: 55 total cpu time spent up to now is 129.4 secs Computing kpt #: 56 total cpu time spent up to now is 131.6 secs Computing kpt #: 57 total cpu time spent up to now is 133.8 secs Computing kpt #: 58 total cpu time spent up to now is 136.0 secs Computing kpt #: 59 total cpu time spent up to now is 138.3 secs Computing kpt #: 60 total cpu time spent up to now is 141.7 secs Computing kpt #: 61 total cpu time spent up to now is 143.9 secs Computing kpt #: 62 total cpu time spent up to now is 146.0 secs Computing kpt #: 63 total cpu time spent up to now is 148.2 secs Computing kpt #: 64 total cpu time spent up to now is 150.4 secs Computing kpt #: 65 total cpu time spent up to now is 152.5 secs Computing kpt #: 66 total cpu time spent up to now is 154.7 secs Computing kpt #: 67 total cpu time spent up to now is 156.9 secs Computing kpt #: 68 total cpu time spent up to now is 159.0 secs Computing kpt #: 69 total cpu time spent up to now is 161.2 secs Computing kpt #: 70 total cpu time spent up to now is 163.4 secs Computing kpt #: 71 total cpu time spent up to now is 165.5 secs Computing kpt #: 72 total cpu time spent up to now is 167.5 secs Computing kpt #: 73 total cpu time spent up to now is 169.6 secs Computing kpt #: 74 total cpu time spent up to now is 171.6 secs Computing kpt #: 75 total cpu time spent up to now is 173.5 secs Computing kpt #: 76 total cpu time spent up to now is 175.4 secs Computing kpt #: 77 total cpu time spent up to now is 177.4 secs Computing kpt #: 78 total cpu time spent up to now is 179.3 secs Computing kpt #: 79 total cpu time spent up to now is 181.2 secs Computing kpt #: 80 total cpu time spent up to now is 183.1 secs Computing kpt #: 81 total cpu time spent up to now is 185.0 secs Computing kpt #: 82 total cpu time spent up to now is 186.9 secs Computing kpt #: 83 total cpu time spent up to now is 188.8 secs Computing kpt #: 84 total cpu time spent up to now is 190.7 secs Computing kpt #: 85 total cpu time spent up to now is 192.6 secs Computing kpt #: 86 total cpu time spent up to now is 194.5 secs Computing kpt #: 87 total cpu time spent up to now is 196.4 secs Computing kpt #: 88 total cpu time spent up to now is 198.3 secs Computing kpt #: 89 total cpu time spent up to now is 200.2 secs Computing kpt #: 90 total cpu time spent up to now is 202.1 secs Computing kpt #: 91 total cpu time spent up to now is 204.0 secs Computing kpt #: 92 total cpu time spent up to now is 205.9 secs Computing kpt #: 93 total cpu time spent up to now is 207.9 secs Computing kpt #: 94 total cpu time spent up to now is 209.8 secs Computing kpt #: 95 total cpu time spent up to now is 211.7 secs Computing kpt #: 96 total cpu time spent up to now is 213.6 secs Computing kpt #: 97 total cpu time spent up to now is 215.5 secs Computing kpt #: 98 total cpu time spent up to now is 217.4 secs Computing kpt #: 99 total cpu time spent up to now is 219.3 secs Computing kpt #: 100 total cpu time spent up to now is 221.2 secs Computing kpt #: 101 total cpu time spent up to now is 223.1 secs Computing kpt #: 102 total cpu time spent up to now is 225.0 secs Computing kpt #: 103 total cpu time spent up to now is 226.9 secs Computing kpt #: 104 total cpu time spent up to now is 228.8 secs Computing kpt #: 105 total cpu time spent up to now is 230.7 secs Computing kpt #: 106 total cpu time spent up to now is 232.6 secs Computing kpt #: 107 total cpu time spent up to now is 234.5 secs Computing kpt #: 108 total cpu time spent up to now is 236.4 secs Computing kpt #: 109 total cpu time spent up to now is 238.3 secs Computing kpt #: 110 total cpu time spent up to now is 240.2 secs Computing kpt #: 111 total cpu time spent up to now is 242.1 secs Computing kpt #: 112 total cpu time spent up to now is 244.0 secs Computing kpt #: 113 total cpu time spent up to now is 245.9 secs Computing kpt #: 114 total cpu time spent up to now is 247.9 secs Computing kpt #: 115 total cpu time spent up to now is 249.8 secs Computing kpt #: 116 total cpu time spent up to now is 251.7 secs Computing kpt #: 117 total cpu time spent up to now is 253.7 secs Computing kpt #: 118 total cpu time spent up to now is 255.8 secs Computing kpt #: 119 total cpu time spent up to now is 257.9 secs Computing kpt #: 120 total cpu time spent up to now is 260.0 secs Computing kpt #: 121 total cpu time spent up to now is 262.2 secs Computing kpt #: 122 total cpu time spent up to now is 264.4 secs Computing kpt #: 123 total cpu time spent up to now is 266.6 secs Computing kpt #: 124 total cpu time spent up to now is 268.8 secs Computing kpt #: 125 total cpu time spent up to now is 270.9 secs Computing kpt #: 126 total cpu time spent up to now is 273.2 secs Computing kpt #: 127 total cpu time spent up to now is 275.3 secs Computing kpt #: 128 total cpu time spent up to now is 277.4 secs Computing kpt #: 129 total cpu time spent up to now is 279.6 secs Computing kpt #: 130 total cpu time spent up to now is 281.8 secs Computing kpt #: 131 total cpu time spent up to now is 283.9 secs Computing kpt #: 132 total cpu time spent up to now is 286.2 secs Computing kpt #: 133 total cpu time spent up to now is 288.5 secs Computing kpt #: 134 total cpu time spent up to now is 291.0 secs Computing kpt #: 135 total cpu time spent up to now is 293.5 secs Computing kpt #: 136 total cpu time spent up to now is 296.0 secs Computing kpt #: 137 total cpu time spent up to now is 298.4 secs Computing kpt #: 138 total cpu time spent up to now is 301.4 secs Computing kpt #: 139 total cpu time spent up to now is 304.1 secs Computing kpt #: 140 total cpu time spent up to now is 306.3 secs Computing kpt #: 141 total cpu time spent up to now is 308.5 secs Computing kpt #: 142 total cpu time spent up to now is 310.4 secs Computing kpt #: 143 total cpu time spent up to now is 312.3 secs Computing kpt #: 144 total cpu time spent up to now is 314.5 secs Computing kpt #: 145 total cpu time spent up to now is 316.6 secs Computing kpt #: 146 total cpu time spent up to now is 318.8 secs Computing kpt #: 147 total cpu time spent up to now is 320.9 secs Computing kpt #: 148 total cpu time spent up to now is 323.1 secs Computing kpt #: 149 total cpu time spent up to now is 325.0 secs Computing kpt #: 150 total cpu time spent up to now is 326.9 secs Computing kpt #: 151 total cpu time spent up to now is 328.8 secs Computing kpt #: 152 total cpu time spent up to now is 330.6 secs Computing kpt #: 153 total cpu time spent up to now is 332.5 secs Computing kpt #: 154 total cpu time spent up to now is 334.4 secs Computing kpt #: 155 total cpu time spent up to now is 336.3 secs Computing kpt #: 156 total cpu time spent up to now is 338.3 secs Computing kpt #: 157 total cpu time spent up to now is 340.2 secs Computing kpt #: 158 total cpu time spent up to now is 342.1 secs Computing kpt #: 159 total cpu time spent up to now is 344.0 secs Computing kpt #: 160 total cpu time spent up to now is 346.0 secs Computing kpt #: 161 total cpu time spent up to now is 347.9 secs Computing kpt #: 162 total cpu time spent up to now is 350.1 secs Computing kpt #: 163 total cpu time spent up to now is 352.3 secs Computing kpt #: 164 total cpu time spent up to now is 354.6 secs Computing kpt #: 165 total cpu time spent up to now is 356.8 secs Computing kpt #: 166 total cpu time spent up to now is 359.1 secs Computing kpt #: 167 total cpu time spent up to now is 361.4 secs Computing kpt #: 168 total cpu time spent up to now is 363.7 secs Computing kpt #: 169 total cpu time spent up to now is 366.0 secs Computing kpt #: 170 total cpu time spent up to now is 368.2 secs Computing kpt #: 171 total cpu time spent up to now is 370.6 secs Computing kpt #: 172 total cpu time spent up to now is 372.9 secs Computing kpt #: 173 total cpu time spent up to now is 375.2 secs Computing kpt #: 174 total cpu time spent up to now is 377.5 secs Computing kpt #: 175 total cpu time spent up to now is 379.8 secs Computing kpt #: 176 total cpu time spent up to now is 382.0 secs Computing kpt #: 177 total cpu time spent up to now is 384.3 secs Computing kpt #: 178 total cpu time spent up to now is 386.5 secs Computing kpt #: 179 total cpu time spent up to now is 388.7 secs Computing kpt #: 180 total cpu time spent up to now is 391.0 secs Computing kpt #: 181 total cpu time spent up to now is 393.2 secs Computing kpt #: 182 total cpu time spent up to now is 395.5 secs Computing kpt #: 183 total cpu time spent up to now is 397.7 secs Computing kpt #: 184 total cpu time spent up to now is 399.9 secs Computing kpt #: 185 total cpu time spent up to now is 402.1 secs Computing kpt #: 186 total cpu time spent up to now is 404.2 secs Computing kpt #: 187 total cpu time spent up to now is 406.4 secs Computing kpt #: 188 total cpu time spent up to now is 408.6 secs Computing kpt #: 189 total cpu time spent up to now is 410.8 secs Computing kpt #: 190 total cpu time spent up to now is 412.9 secs Computing kpt #: 191 total cpu time spent up to now is 414.9 secs Computing kpt #: 192 total cpu time spent up to now is 417.0 secs Computing kpt #: 193 total cpu time spent up to now is 419.2 secs Computing kpt #: 194 total cpu time spent up to now is 421.4 secs Computing kpt #: 195 total cpu time spent up to now is 423.5 secs Computing kpt #: 196 total cpu time spent up to now is 425.7 secs Computing kpt #: 197 total cpu time spent up to now is 427.8 secs Computing kpt #: 198 total cpu time spent up to now is 430.0 secs Computing kpt #: 199 total cpu time spent up to now is 432.1 secs Computing kpt #: 200 total cpu time spent up to now is 434.3 secs Computing kpt #: 201 total cpu time spent up to now is 436.4 secs Computing kpt #: 202 total cpu time spent up to now is 438.8 secs Computing kpt #: 203 total cpu time spent up to now is 441.5 secs Computing kpt #: 204 total cpu time spent up to now is 443.9 secs Computing kpt #: 205 total cpu time spent up to now is 446.2 secs Computing kpt #: 206 total cpu time spent up to now is 448.5 secs Computing kpt #: 207 total cpu time spent up to now is 450.8 secs Computing kpt #: 208 total cpu time spent up to now is 453.1 secs Computing kpt #: 209 total cpu time spent up to now is 455.4 secs Computing kpt #: 210 total cpu time spent up to now is 457.6 secs Computing kpt #: 211 total cpu time spent up to now is 459.9 secs Computing kpt #: 212 total cpu time spent up to now is 462.2 secs Computing kpt #: 213 total cpu time spent up to now is 464.4 secs Computing kpt #: 214 total cpu time spent up to now is 466.5 secs Computing kpt #: 215 total cpu time spent up to now is 468.7 secs Computing kpt #: 216 total cpu time spent up to now is 470.9 secs Computing kpt #: 217 total cpu time spent up to now is 473.1 secs Computing kpt #: 218 total cpu time spent up to now is 475.2 secs Computing kpt #: 219 total cpu time spent up to now is 477.4 secs Computing kpt #: 220 total cpu time spent up to now is 479.6 secs Computing kpt #: 221 total cpu time spent up to now is 481.9 secs Computing kpt #: 222 total cpu time spent up to now is 484.1 secs Computing kpt #: 223 total cpu time spent up to now is 486.4 secs Computing kpt #: 224 total cpu time spent up to now is 488.6 secs ethr = 2.50E-08, avg # of iterations = 23.9 total cpu time spent up to now is 488.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 32973 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.3210 -7.3210 -6.2565 -6.2565 -6.0903 -6.0903 -5.4200 -5.4200 -4.2147 -4.2147 -3.6441 -3.6441 -3.2114 -3.2114 -3.0848 -3.0848 -2.5214 -2.5214 -2.4187 -2.4187 -2.4090 -2.4090 -2.3652 -2.3652 -2.0142 -2.0142 -1.8902 -1.8902 -1.6993 -1.6993 -1.5951 -1.5951 3.8100 3.8100 4.0713 4.0713 4.2938 4.2938 4.6995 4.6995 k = 0.0000 0.0000 0.0243 ( 32966 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.3200 -7.3200 -6.2556 -6.2556 -6.0936 -6.0936 -5.4206 -5.4206 -4.2142 -4.2142 -3.6421 -3.6421 -3.2144 -3.2144 -3.0813 -3.0813 -2.5201 -2.5201 -2.4190 -2.4190 -2.4105 -2.4105 -2.3628 -2.3628 -2.0140 -2.0140 -1.8903 -1.8903 -1.7009 -1.7009 -1.5954 -1.5954 3.8114 3.8114 4.0725 4.0725 4.2944 4.2944 4.6668 4.6668 k = 0.0000 0.0000 0.0486 ( 32984 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.3170 -7.3170 -6.2529 -6.2529 -6.1033 -6.1033 -5.4223 -5.4223 -4.2127 -4.2127 -3.6360 -3.6360 -3.2234 -3.2234 -3.0709 -3.0709 -2.5164 -2.5164 -2.4196 -2.4196 -2.4142 -2.4142 -2.3565 -2.3565 -2.0133 -2.0133 -1.8907 -1.8907 -1.7059 -1.7059 -1.5966 -1.5966 3.8156 3.8156 4.0762 4.0762 4.2961 4.2961 4.6320 4.6320 k = 0.0000 0.0000 0.0730 ( 32987 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.3121 -7.3121 -6.2485 -6.2485 -6.1190 -6.1190 -5.4255 -5.4255 -4.2100 -4.2100 -3.6257 -3.6257 -3.2380 -3.2380 -3.0541 -3.0541 -2.5107 -2.5107 -2.4208 -2.4208 -2.4187 -2.4187 -2.3475 -2.3475 -2.0122 -2.0122 -1.8914 -1.8914 -1.7138 -1.7138 -1.5988 -1.5988 3.8226 3.8226 4.0823 4.0823 4.2990 4.2990 4.5961 4.5961 k = 0.0000 0.0000 0.0973 ( 32978 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.3052 -7.3052 -6.2422 -6.2422 -6.1404 -6.1404 -5.4303 -5.4303 -4.2063 -4.2063 -3.6110 -3.6110 -3.2576 -3.2576 -3.0312 -3.0312 -2.5038 -2.5038 -2.4239 -2.4239 -2.4215 -2.4215 -2.3368 -2.3368 -2.0107 -2.0107 -1.8923 -1.8923 -1.7245 -1.7245 -1.6022 -1.6022 3.8324 3.8324 4.0908 4.0908 4.3028 4.3028 4.5590 4.5590 k = 0.0000 0.0000 0.1216 ( 32981 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4906 -45.4906 -7.2964 -7.2964 -6.2342 -6.2342 -6.1666 -6.1666 -5.4372 -5.4372 -4.2014 -4.2014 -3.5916 -3.5916 -3.2815 -3.2815 -3.0029 -3.0029 -2.4967 -2.4967 -2.4281 -2.4281 -2.4229 -2.4229 -2.3247 -2.3247 -2.0088 -2.0088 -1.8935 -1.8935 -1.7376 -1.7376 -1.6071 -1.6071 3.8449 3.8449 4.1015 4.1015 4.3074 4.3074 4.5205 4.5205 k = 0.0000 0.0000 0.1459 ( 33003 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2856 -7.2856 -6.2245 -6.2245 -6.1972 -6.1972 -5.4464 -5.4464 -4.1953 -4.1953 -3.5675 -3.5675 -3.3091 -3.3091 -2.9701 -2.9701 -2.4904 -2.4904 -2.4317 -2.4317 -2.4239 -2.4239 -2.3114 -2.3114 -2.0064 -2.0064 -1.8952 -1.8952 -1.7527 -1.7527 -1.6137 -1.6137 3.8600 3.8600 4.1145 4.1145 4.3126 4.3126 4.4806 4.4806 k = 0.0000 0.0000 0.1702 ( 32995 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2728 -7.2728 -6.2314 -6.2314 -6.2130 -6.2130 -5.4583 -5.4583 -4.1879 -4.1879 -3.5388 -3.5388 -3.3397 -3.3397 -2.9334 -2.9334 -2.4859 -2.4859 -2.4345 -2.4345 -2.4242 -2.4242 -2.2972 -2.2972 -2.0036 -2.0036 -1.8973 -1.8973 -1.7695 -1.7695 -1.6222 -1.6222 3.8776 3.8776 4.1294 4.1294 4.3180 4.3180 4.4394 4.4394 k = 0.0000 0.0000 0.1945 ( 33011 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2582 -7.2582 -6.2686 -6.2686 -6.1999 -6.1999 -5.4728 -5.4728 -4.1791 -4.1791 -3.5054 -3.5054 -3.3727 -3.3727 -2.8936 -2.8936 -2.4842 -2.4842 -2.4363 -2.4363 -2.4238 -2.4238 -2.2821 -2.2821 -2.0003 -2.0003 -1.8999 -1.8999 -1.7879 -1.7879 -1.6325 -1.6325 3.8976 3.8976 4.1462 4.1462 4.3235 4.3235 4.3977 4.3977 k = 0.0000 0.0000 0.2189 ( 33015 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2416 -7.2416 -6.3081 -6.3081 -6.1850 -6.1850 -5.4900 -5.4900 -4.1687 -4.1687 -3.4677 -3.4677 -3.4075 -3.4075 -2.8515 -2.8515 -2.4857 -2.4857 -2.4370 -2.4370 -2.4227 -2.4227 -2.2661 -2.2661 -1.9966 -1.9966 -1.9033 -1.9033 -1.8074 -1.8074 -1.6449 -1.6449 3.9198 3.9198 4.1646 4.1646 4.3285 4.3285 4.3567 4.3567 k = 0.0000 0.0000 0.2432 ( 33020 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2232 -7.2232 -6.3495 -6.3495 -6.1685 -6.1685 -5.5099 -5.5099 -4.1568 -4.1568 -3.4439 -3.4439 -3.4259 -3.4259 -2.8079 -2.8079 -2.4904 -2.4904 -2.4363 -2.4363 -2.4215 -2.4215 -2.2493 -2.2493 -1.9924 -1.9924 -1.9077 -1.9077 -1.8278 -1.8278 -1.6591 -1.6591 3.9441 3.9441 4.1842 4.1842 4.3178 4.3178 4.3328 4.3328 k = 0.0000 0.0000 0.2675 ( 33012 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.2029 -7.2029 -6.3923 -6.3923 -6.1505 -6.1505 -5.5322 -5.5322 -4.1431 -4.1431 -3.4810 -3.4810 -3.3808 -3.3808 -2.7637 -2.7637 -2.4979 -2.4979 -2.4341 -2.4341 -2.4210 -2.4210 -2.2318 -2.2318 -1.9877 -1.9877 -1.9136 -1.9136 -1.8485 -1.8485 -1.6751 -1.6751 3.9700 3.9700 4.2047 4.2047 4.2824 4.2824 4.3358 4.3358 k = 0.0000 0.0000 0.2918 ( 33003 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.1808 -7.1808 -6.4361 -6.4361 -6.1308 -6.1308 -5.5567 -5.5567 -4.1278 -4.1278 -3.5188 -3.5188 -3.3326 -3.3326 -2.7198 -2.7198 -2.5083 -2.5083 -2.4299 -2.4299 -2.4215 -2.4215 -2.2135 -2.2135 -1.9826 -1.9826 -1.9218 -1.9218 -1.8687 -1.8687 -1.6927 -1.6927 3.9974 3.9974 4.2256 4.2256 4.2515 4.2515 4.3374 4.3374 k = 0.0000 0.0000 0.3161 ( 33004 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.1568 -7.1568 -6.4805 -6.4805 -6.1097 -6.1097 -5.5832 -5.5832 -4.1107 -4.1107 -3.5570 -3.5570 -3.2818 -3.2818 -2.6773 -2.6773 -2.5216 -2.5216 -2.4245 -2.4245 -2.4220 -2.4220 -2.1946 -2.1946 -1.9769 -1.9769 -1.9337 -1.9337 -1.8869 -1.8869 -1.7117 -1.7117 4.0255 4.0255 4.2260 4.2260 4.2460 4.2460 4.3372 4.3372 k = 0.0000 0.0000 0.3404 ( 33005 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.1311 -7.1311 -6.5251 -6.5251 -6.0871 -6.0871 -5.6114 -5.6114 -4.0918 -4.0918 -3.5952 -3.5952 -3.2290 -3.2290 -2.6374 -2.6374 -2.5379 -2.5379 -2.4271 -2.4271 -2.4124 -2.4124 -2.1750 -2.1750 -1.9707 -1.9707 -1.9506 -1.9506 -1.9021 -1.9021 -1.7319 -1.7319 4.0535 4.0535 4.2074 4.2074 4.2647 4.2647 4.3356 4.3356 k = 0.0000 0.0000 0.3648 ( 33012 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.1036 -7.1036 -6.5698 -6.5698 -6.0631 -6.0631 -5.6410 -5.6410 -4.0712 -4.0712 -3.6334 -3.6334 -3.1748 -3.1748 -2.6016 -2.6016 -2.5575 -2.5575 -2.4317 -2.4317 -2.3978 -2.3978 -2.1549 -2.1549 -1.9722 -1.9722 -1.9638 -1.9638 -1.9145 -1.9145 -1.7529 -1.7529 4.0798 4.0798 4.1969 4.1969 4.2794 4.2794 4.3336 4.3336 k = 0.0000 0.0000 0.3891 ( 33015 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -7.0744 -7.0744 -6.6143 -6.6143 -6.0378 -6.0378 -5.6716 -5.6716 -4.0489 -4.0489 -3.6711 -3.6711 -3.1198 -3.1198 -2.5810 -2.5810 -2.5710 -2.5710 -2.4373 -2.4373 -2.3778 -2.3778 -2.1343 -2.1343 -1.9970 -1.9970 -1.9564 -1.9564 -1.9258 -1.9258 -1.7744 -1.7744 4.1020 4.1020 4.1966 4.1966 4.2859 4.2859 4.3344 4.3344 k = 0.0000 0.0000 0.4134 ( 33010 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -7.0436 -7.0436 -6.6584 -6.6584 -6.0112 -6.0112 -5.7030 -5.7030 -4.0249 -4.0249 -3.7084 -3.7084 -3.0645 -3.0645 -2.6082 -2.6082 -2.5465 -2.5465 -2.4436 -2.4436 -2.3523 -2.3523 -2.1134 -2.1134 -2.0242 -2.0242 -1.9483 -1.9483 -1.9369 -1.9369 -1.7961 -1.7961 4.1183 4.1183 4.2079 4.2079 4.2816 4.2816 4.3394 4.3394 k = 0.0000 0.0000 0.4377 ( 33006 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -7.0111 -7.0111 -6.7018 -6.7018 -5.9835 -5.9835 -5.7350 -5.7350 -3.9993 -3.9993 -3.7450 -3.7450 -3.0094 -3.0094 -2.6394 -2.6394 -2.5274 -2.5274 -2.4504 -2.4504 -2.3221 -2.3221 -2.0923 -2.0923 -2.0530 -2.0530 -1.9494 -1.9494 -1.9388 -1.9388 -1.8174 -1.8174 4.1306 4.1306 4.2281 4.2281 4.2693 4.2693 4.3421 4.3421 k = 0.0000 0.0000 0.4620 ( 33014 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9771 -6.9771 -6.7445 -6.7445 -5.9547 -5.9547 -5.7672 -5.7672 -3.9721 -3.9721 -3.7807 -3.7807 -2.9551 -2.9551 -2.6746 -2.6746 -2.5124 -2.5124 -2.4576 -2.4576 -2.2887 -2.2887 -2.0836 -2.0836 -2.0710 -2.0710 -1.9625 -1.9625 -1.9289 -1.9289 -1.8379 -1.8379 4.1426 4.1426 4.2519 4.2519 4.2527 4.2527 4.3474 4.3474 k = 0.0000 0.0000 0.4863 ( 33020 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9416 -6.9416 -6.7862 -6.7862 -5.9250 -5.9250 -5.7994 -5.7994 -3.9435 -3.9435 -3.8156 -3.8156 -2.9021 -2.9021 -2.7137 -2.7137 -2.5004 -2.5004 -2.4651 -2.4651 -2.2537 -2.2537 -2.1154 -2.1154 -2.0504 -2.0504 -1.9771 -1.9771 -1.9177 -1.9177 -1.8572 -1.8572 4.1564 4.1564 4.2326 4.2326 4.2773 4.2773 4.3444 4.3444 k = 0.0000 0.0000 0.5107 ( 33007 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9047 -6.9047 -6.8269 -6.8269 -5.8945 -5.8945 -5.8315 -5.8315 -3.9134 -3.9134 -3.8494 -3.8494 -2.8511 -2.8511 -2.7564 -2.7564 -2.4902 -2.4902 -2.4729 -2.4729 -2.2182 -2.2182 -2.1486 -2.1486 -2.0302 -2.0302 -1.9933 -1.9933 -1.9051 -1.9051 -1.8749 -1.8749 4.1728 4.1728 4.2120 4.2120 4.3004 4.3004 4.3351 4.3351 k = 0.0000 0.0000 0.5350 ( 33006 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8664 -6.8664 -6.8664 -6.8664 -5.8633 -5.8633 -5.8633 -5.8633 -3.8820 -3.8820 -3.8820 -3.8820 -2.8023 -2.8023 -2.8023 -2.8023 -2.4812 -2.4812 -2.4812 -2.4812 -2.1830 -2.1830 -2.1830 -2.1830 -2.0111 -2.0111 -2.0111 -2.0111 -1.8909 -1.8909 -1.8909 -1.8909 4.1916 4.1916 4.1916 4.1916 4.3201 4.3201 4.3201 4.3201 k = 0.0000 0.0000 0.5350 ( 33006 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8664 -6.8664 -6.8664 -6.8664 -5.8633 -5.8633 -5.8633 -5.8633 -3.8820 -3.8820 -3.8820 -3.8820 -2.8023 -2.8023 -2.8023 -2.8023 -2.4812 -2.4812 -2.4812 -2.4812 -2.1830 -2.1830 -2.1830 -2.1830 -2.0111 -2.0111 -2.0111 -2.0111 -1.8909 -1.8909 -1.8909 -1.8909 4.1916 4.1916 4.1916 4.1916 4.3201 4.3201 4.3201 4.3201 k = 0.0000 0.0242 0.5350 ( 32998 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8686 -6.8686 -6.8626 -6.8626 -5.8686 -5.8686 -5.8571 -5.8571 -3.8816 -3.8816 -3.8812 -3.8812 -2.8081 -2.8081 -2.7994 -2.7994 -2.4894 -2.4894 -2.4758 -2.4758 -2.1987 -2.1987 -2.1718 -2.1718 -2.0102 -2.0102 -2.0081 -2.0081 -1.8950 -1.8950 -1.8900 -1.8900 4.1790 4.1790 4.2070 4.2070 4.2959 4.2959 4.3328 4.3328 k = 0.0000 0.0483 0.5350 ( 33014 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8691 -6.8691 -6.8570 -6.8570 -5.8731 -5.8731 -5.8501 -5.8501 -3.8799 -3.8799 -3.8791 -3.8791 -2.8174 -2.8174 -2.7987 -2.7987 -2.4992 -2.4992 -2.4741 -2.4741 -2.2182 -2.2182 -2.1654 -2.1654 -2.0056 -2.0056 -2.0015 -2.0015 -1.9018 -1.9018 -1.8929 -1.8929 4.1692 4.1692 4.2251 4.2251 4.2709 4.2709 4.3275 4.3275 k = 0.0000 0.0725 0.5350 ( 33018 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8681 -6.8681 -6.8498 -6.8498 -5.8769 -5.8769 -5.8422 -5.8422 -3.8770 -3.8770 -3.8757 -3.8757 -2.8307 -2.8307 -2.7997 -2.7997 -2.5096 -2.5096 -2.4769 -2.4769 -2.2403 -2.2403 -2.1636 -2.1636 -1.9982 -1.9982 -1.9930 -1.9930 -1.9101 -1.9101 -1.8995 -1.8995 4.1619 4.1619 4.2450 4.2450 4.2487 4.2487 4.3157 4.3157 k = 0.0000 0.0966 0.5350 ( 33036 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8654 -6.8654 -6.8409 -6.8409 -5.8800 -5.8800 -5.8334 -5.8334 -3.8729 -3.8729 -3.8712 -3.8712 -2.8487 -2.8487 -2.8021 -2.8021 -2.5195 -2.5195 -2.4847 -2.4847 -2.2639 -2.2639 -2.1658 -2.1658 -1.9890 -1.9890 -1.9853 -1.9853 -1.9178 -1.9178 -1.9099 -1.9099 4.1567 4.1567 4.2300 4.2300 4.2667 4.2667 4.3031 4.3031 k = 0.0000 0.1208 0.5350 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8612 -6.8612 -6.8303 -6.8303 -5.8824 -5.8824 -5.8237 -5.8237 -3.8674 -3.8674 -3.8655 -3.8655 -2.8714 -2.8714 -2.8057 -2.8057 -2.5282 -2.5282 -2.4978 -2.4978 -2.2881 -2.2881 -2.1714 -2.1714 -1.9835 -1.9835 -1.9781 -1.9781 -1.9250 -1.9250 -1.9199 -1.9199 4.1528 4.1528 4.2160 4.2160 4.2880 4.2880 4.2909 4.2909 k = 0.0000 0.1449 0.5350 ( 33048 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.8555 -6.8555 -6.8180 -6.8180 -5.8843 -5.8843 -5.8131 -5.8131 -3.8608 -3.8608 -3.8586 -3.8586 -2.8988 -2.8988 -2.8102 -2.8102 -2.5357 -2.5357 -2.5163 -2.5163 -2.3122 -2.3122 -2.1801 -2.1801 -1.9887 -1.9887 -1.9686 -1.9686 -1.9415 -1.9415 -1.9162 -1.9162 4.1490 4.1490 4.2067 4.2067 4.2788 4.2788 4.3079 4.3079 k = 0.0000 0.1691 0.5350 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.8484 -6.8484 -6.8040 -6.8040 -5.8857 -5.8857 -5.8017 -5.8017 -3.8530 -3.8530 -3.8506 -3.8506 -2.9302 -2.9302 -2.8157 -2.8157 -2.5421 -2.5421 -2.5398 -2.5398 -2.3360 -2.3360 -2.1921 -2.1921 -1.9995 -1.9995 -1.9713 -1.9713 -1.9499 -1.9499 -1.9070 -1.9070 4.1437 4.1437 4.2022 4.2022 4.2680 4.2680 4.3234 4.3234 k = 0.0000 0.1932 0.5350 ( 33060 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.8398 -6.8398 -6.7883 -6.7883 -5.8867 -5.8867 -5.7895 -5.7895 -3.8440 -3.8440 -3.8416 -3.8416 -2.9648 -2.9648 -2.8220 -2.8220 -2.5681 -2.5681 -2.5476 -2.5476 -2.3592 -2.3592 -2.2071 -2.2071 -2.0123 -2.0123 -1.9945 -1.9945 -1.9419 -1.9419 -1.8956 -1.8956 4.1349 4.1349 4.2024 4.2024 4.2594 4.2594 4.3317 4.3317 k = 0.0000 0.2174 0.5350 ( 33065 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.8299 -6.8299 -6.7709 -6.7709 -5.8875 -5.8875 -5.7766 -5.7766 -3.8338 -3.8338 -3.8316 -3.8316 -3.0020 -3.0020 -2.8294 -2.8294 -2.5998 -2.5998 -2.5536 -2.5536 -2.3821 -2.3821 -2.2248 -2.2248 -2.0250 -2.0250 -2.0232 -2.0232 -1.9326 -1.9326 -1.8838 -1.8838 4.1212 4.1212 4.2070 4.2070 4.2545 4.2545 4.3305 4.3305 k = 0.0000 0.2415 0.5350 ( 33071 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.8187 -6.8187 -6.7518 -6.7518 -5.8882 -5.8882 -5.7629 -5.7629 -3.8226 -3.8226 -3.8208 -3.8208 -3.0407 -3.0407 -2.8380 -2.8380 -2.6343 -2.6343 -2.5610 -2.5610 -2.4048 -2.4048 -2.2445 -2.2445 -2.0560 -2.0560 -2.0359 -2.0359 -1.9239 -1.9239 -1.8725 -1.8725 4.1020 4.1020 4.2160 4.2160 4.2541 4.2541 4.3186 4.3186 k = 0.0000 0.2657 0.5350 ( 33065 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.8064 -6.8064 -6.7311 -6.7311 -5.8888 -5.8888 -5.7487 -5.7487 -3.8103 -3.8103 -3.8092 -3.8092 -3.0801 -3.0801 -2.8483 -2.8483 -2.6705 -2.6705 -2.5710 -2.5710 -2.4276 -2.4276 -2.2651 -2.2651 -2.0917 -2.0917 -2.0453 -2.0453 -1.9164 -1.9164 -1.8620 -1.8620 4.0784 4.0784 4.2290 4.2290 4.2578 4.2578 4.2966 4.2966 k = 0.0000 0.2898 0.5350 ( 33042 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7929 -6.7929 -6.7087 -6.7087 -5.8896 -5.8896 -5.7339 -5.7339 -3.7973 -3.7973 -3.7968 -3.7968 -3.1193 -3.1193 -2.8608 -2.8608 -2.7071 -2.7071 -2.5848 -2.5848 -2.4505 -2.4505 -2.2852 -2.2852 -2.1303 -2.1303 -2.0527 -2.0527 -1.9102 -1.9102 -1.8525 -1.8525 4.0520 4.0520 4.2458 4.2458 4.2647 4.2647 4.2669 4.2669 k = 0.0000 0.3140 0.5350 ( 33024 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7784 -6.7784 -6.6847 -6.6847 -5.8906 -5.8906 -5.7186 -5.7186 -3.7845 -3.7845 -3.7827 -3.7827 -3.1576 -3.1576 -2.8766 -2.8766 -2.7427 -2.7427 -2.6035 -2.6035 -2.4736 -2.4736 -2.3035 -2.3035 -2.1714 -2.1714 -2.0583 -2.0583 -1.9054 -1.9054 -1.8441 -1.8441 4.0242 4.0242 4.2312 4.2312 4.2661 4.2661 4.2745 4.2745 k = 0.0000 0.3382 0.5350 ( 33027 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7630 -6.7630 -6.6592 -6.6592 -5.8920 -5.8920 -5.7030 -5.7030 -3.7717 -3.7717 -3.7676 -3.7676 -3.1941 -3.1941 -2.8970 -2.8970 -2.7756 -2.7756 -2.6276 -2.6276 -2.4967 -2.4967 -2.3192 -2.3192 -2.2147 -2.2147 -2.0619 -2.0619 -1.9021 -1.9021 -1.8369 -1.8369 3.9962 3.9962 4.1923 4.1923 4.2862 4.2862 4.2895 4.2895 k = 0.0000 0.3623 0.5350 ( 33031 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7469 -6.7469 -6.6320 -6.6320 -5.8939 -5.8939 -5.6872 -5.6872 -3.7590 -3.7590 -3.7518 -3.7518 -3.2282 -3.2282 -2.9229 -2.9229 -2.8045 -2.8045 -2.6571 -2.6571 -2.5198 -2.5198 -2.3321 -2.3321 -2.2600 -2.2600 -2.0637 -2.0637 -1.9002 -1.9002 -1.8309 -1.8309 3.9689 3.9689 4.1517 4.1517 4.2997 4.2997 4.3159 4.3159 k = 0.0000 0.3865 0.5350 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7301 -6.7301 -6.6034 -6.6034 -5.8965 -5.8965 -5.6713 -5.6713 -3.7466 -3.7466 -3.7352 -3.7352 -3.2591 -3.2591 -2.9544 -2.9544 -2.8291 -2.8291 -2.6912 -2.6912 -2.5426 -2.5426 -2.3426 -2.3426 -2.3069 -2.3069 -2.0637 -2.0637 -1.8998 -1.8998 -1.8260 -1.8260 3.9428 3.9428 4.1105 4.1105 4.3145 4.3145 4.3449 4.3449 k = 0.0000 0.4106 0.5350 ( 33054 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.7129 -6.7129 -6.5733 -6.5733 -5.8999 -5.8999 -5.6555 -5.6555 -3.7350 -3.7350 -3.7182 -3.7182 -3.2860 -3.2860 -2.9900 -2.9900 -2.8506 -2.8506 -2.7289 -2.7289 -2.5650 -2.5650 -2.3553 -2.3553 -2.3514 -2.3514 -2.0617 -2.0617 -1.9007 -1.9007 -1.8222 -1.8222 3.9186 3.9186 4.0697 4.0697 4.3307 4.3307 4.3763 4.3763 k = 0.0000 0.4348 0.5350 ( 33057 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6953 -6.6953 -6.5417 -6.5417 -5.9041 -5.9041 -5.6400 -5.6400 -3.7244 -3.7244 -3.7007 -3.7007 -3.3084 -3.3084 -3.0281 -3.0281 -2.8705 -2.8705 -2.7692 -2.7692 -2.5868 -2.5868 -2.4043 -2.4043 -2.3598 -2.3598 -2.0578 -2.0578 -1.9030 -1.9030 -1.8194 -1.8194 3.8965 3.8965 4.0301 4.0301 4.3478 4.3478 4.4097 4.4097 k = 0.0000 0.4589 0.5350 ( 33070 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6778 -6.6778 -6.5088 -6.5088 -5.9092 -5.9092 -5.6249 -5.6249 -3.7153 -3.7153 -3.6830 -3.6830 -3.3256 -3.3256 -3.0671 -3.0671 -2.8899 -2.8899 -2.8109 -2.8109 -2.6078 -2.6078 -2.4541 -2.4541 -2.3680 -2.3680 -2.0520 -2.0520 -1.9065 -1.9065 -1.8175 -1.8175 3.8768 3.8768 3.9921 3.9921 4.3658 4.3658 4.4447 4.4447 k = 0.0000 0.4831 0.5350 ( 33089 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6603 -6.6603 -6.4746 -6.4746 -5.9153 -5.9153 -5.6104 -5.6104 -3.7078 -3.7078 -3.6653 -3.6653 -3.3373 -3.3373 -3.1061 -3.1061 -2.9095 -2.9095 -2.8531 -2.8531 -2.6280 -2.6280 -2.5038 -2.5038 -2.3767 -2.3767 -2.0445 -2.0445 -1.9113 -1.9113 -1.8163 -1.8163 3.8598 3.8598 3.9563 3.9563 4.3844 4.3844 4.4807 4.4807 k = 0.0000 0.5072 0.5350 ( 33088 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6434 -6.6434 -6.4391 -6.4391 -5.9223 -5.9223 -5.5967 -5.5967 -3.7020 -3.7020 -3.6479 -3.6479 -3.3436 -3.3436 -3.1442 -3.1442 -2.9296 -2.9296 -2.8948 -2.8948 -2.6481 -2.6481 -2.5525 -2.5525 -2.3862 -2.3862 -2.0356 -2.0356 -1.9173 -1.9173 -1.8158 -1.8158 3.8457 3.8457 3.9228 3.9228 4.4035 4.4035 4.5154 4.5154 k = 0.0000 0.5314 0.5350 ( 33090 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6271 -6.6271 -6.4025 -6.4025 -5.9302 -5.9302 -5.5840 -5.5840 -3.6976 -3.6976 -3.6311 -3.6311 -3.3446 -3.3446 -3.1810 -3.1810 -2.9502 -2.9502 -2.9351 -2.9351 -2.6695 -2.6695 -2.5984 -2.5984 -2.3968 -2.3968 -2.0254 -2.0254 -1.9243 -1.9243 -1.8156 -1.8156 3.8344 3.8344 3.8920 3.8920 4.4228 4.4228 4.5365 4.5365 k = 0.0000 0.5555 0.5350 ( 33072 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.6119 -6.6119 -6.3647 -6.3647 -5.9388 -5.9388 -5.5725 -5.5725 -3.6942 -3.6942 -3.6152 -3.6152 -3.3411 -3.3411 -3.2159 -3.2159 -2.9733 -2.9733 -2.9708 -2.9708 -2.6967 -2.6967 -2.6367 -2.6367 -2.4085 -2.4085 -2.0146 -2.0146 -1.9324 -1.9324 -1.8154 -1.8154 3.8263 3.8263 3.8640 3.8640 4.4420 4.4420 4.5227 4.5227 k = 0.0000 0.5797 0.5350 ( 33067 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5982 -6.5982 -6.3260 -6.3260 -5.9480 -5.9480 -5.5625 -5.5625 -3.6912 -3.6912 -3.6007 -3.6007 -3.3342 -3.3342 -3.2488 -3.2488 -3.0077 -3.0077 -2.9915 -2.9915 -2.7337 -2.7337 -2.6630 -2.6630 -2.4212 -2.4212 -2.0037 -2.0037 -1.9414 -1.9414 -1.8149 -1.8149 3.8212 3.8212 3.8391 3.8391 4.4610 4.4610 4.4971 4.4971 k = 0.0000 0.6038 0.5350 ( 33071 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5863 -6.5863 -6.2864 -6.2864 -5.9575 -5.9575 -5.5541 -5.5541 -3.6882 -3.6882 -3.5881 -3.5881 -3.3250 -3.3250 -3.2794 -3.2794 -3.0379 -3.0379 -3.0111 -3.0111 -2.7773 -2.7773 -2.6803 -2.6803 -2.4349 -2.4349 -1.9932 -1.9932 -1.9513 -1.9513 -1.8135 -1.8135 3.8172 3.8172 3.8194 3.8194 4.4717 4.4717 4.4795 4.4795 k = 0.0000 0.6280 0.5350 ( 33082 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5767 -6.5767 -6.2460 -6.2460 -5.9670 -5.9670 -5.5475 -5.5475 -3.6846 -3.6846 -3.5778 -3.5778 -3.3155 -3.3155 -3.3074 -3.3074 -3.0621 -3.0621 -3.0290 -3.0290 -2.8231 -2.8231 -2.6930 -2.6930 -2.4494 -2.4494 -1.9842 -1.9842 -1.9619 -1.9619 -1.8107 -1.8107 3.7987 3.7987 3.8205 3.8205 4.4490 4.4490 4.4970 4.4970 k = 0.0000 0.6522 0.5350 ( 33085 PWs) bands (ev): -45.4928 -45.4928 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5697 -6.5697 -6.2050 -6.2050 -5.9763 -5.9763 -5.5429 -5.5429 -3.6803 -3.6803 -3.5705 -3.5705 -3.3344 -3.3344 -3.3057 -3.3057 -3.0791 -3.0791 -3.0442 -3.0442 -2.8687 -2.8687 -2.7029 -2.7029 -2.4646 -2.4646 -1.9784 -1.9784 -1.9721 -1.9721 -1.8058 -1.8058 3.7835 3.7835 3.8249 3.8249 4.4297 4.4297 4.5133 4.5133 k = 0.0000 0.6763 0.5350 ( 33085 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5658 -6.5658 -6.1634 -6.1634 -5.9850 -5.9850 -5.5404 -5.5404 -3.6752 -3.6752 -3.5663 -3.5663 -3.3590 -3.3590 -3.2984 -3.2984 -3.0875 -3.0875 -3.0559 -3.0559 -2.9131 -2.9131 -2.7110 -2.7110 -2.4802 -2.4802 -1.9865 -1.9865 -1.9717 -1.9717 -1.7984 -1.7984 3.7717 3.7717 3.8324 3.8324 4.4144 4.4144 4.5280 4.5280 k = 0.0000 0.7005 0.5350 ( 33084 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5654 -6.5654 -6.1215 -6.1215 -5.9928 -5.9928 -5.5402 -5.5402 -3.6692 -3.6692 -3.5654 -3.5654 -3.3826 -3.3826 -3.2933 -3.2933 -3.0870 -3.0870 -3.0632 -3.0632 -2.9556 -2.9556 -2.7174 -2.7174 -2.4960 -2.4960 -1.9991 -1.9991 -1.9704 -1.9704 -1.7882 -1.7882 3.7633 3.7633 3.8430 3.8430 4.4033 4.4033 4.5408 4.5408 k = 0.0000 0.7246 0.5350 ( 33078 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5685 -6.5685 -6.0795 -6.0795 -5.9996 -5.9996 -5.5421 -5.5421 -3.6627 -3.6627 -3.5677 -3.5677 -3.4058 -3.4058 -3.2891 -3.2891 -3.0787 -3.0787 -3.0658 -3.0658 -2.9957 -2.9957 -2.7222 -2.7222 -2.5117 -2.5117 -2.0124 -2.0124 -1.9718 -1.9718 -1.7754 -1.7754 3.7582 3.7582 3.8567 3.8567 4.3966 4.3966 4.5513 4.5513 k = 0.0000 0.7246 0.5350 ( 33078 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5685 -6.5685 -6.0795 -6.0795 -5.9996 -5.9996 -5.5421 -5.5421 -3.6627 -3.6627 -3.5677 -3.5677 -3.4058 -3.4058 -3.2891 -3.2891 -3.0787 -3.0787 -3.0658 -3.0658 -2.9957 -2.9957 -2.7222 -2.7222 -2.5117 -2.5117 -2.0124 -2.0124 -1.9718 -1.9718 -1.7754 -1.7754 3.7582 3.7582 3.8567 3.8567 4.3966 4.3966 4.5513 4.5513 k = 0.0000 0.7305 0.5111 ( 33066 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5533 -6.5533 -6.1036 -6.1036 -5.9882 -5.9882 -5.5508 -5.5508 -3.6562 -3.6562 -3.5634 -3.5634 -3.3900 -3.3900 -3.2985 -3.2985 -3.0805 -3.0805 -3.0542 -3.0542 -2.9912 -2.9912 -2.6973 -2.6973 -2.5156 -2.5156 -2.0306 -2.0306 -2.0073 -2.0073 -1.7851 -1.7851 3.7834 3.7834 3.8118 3.8118 4.3802 4.3802 4.5633 4.5633 k = 0.0000 0.7365 0.4872 ( 33070 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5384 -6.5384 -6.1272 -6.1272 -5.9757 -5.9757 -5.5609 -5.5609 -3.6485 -3.6485 -3.5584 -3.5584 -3.3755 -3.3755 -3.3079 -3.3079 -3.0805 -3.0805 -3.0501 -3.0501 -2.9817 -2.9817 -2.6662 -2.6662 -2.5197 -2.5197 -2.0517 -2.0517 -2.0442 -2.0442 -1.7971 -1.7971 3.7717 3.7717 3.8082 3.8082 4.3634 4.3634 4.5768 4.5768 k = 0.0000 0.7424 0.4633 ( 33059 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5236 -6.5236 -6.1504 -6.1504 -5.9620 -5.9620 -5.5724 -5.5724 -3.6395 -3.6395 -3.5527 -3.5527 -3.3626 -3.3626 -3.3173 -3.3173 -3.0791 -3.0791 -3.0538 -3.0538 -2.9654 -2.9654 -2.6305 -2.6305 -2.5235 -2.5235 -2.0846 -2.0846 -2.0730 -2.0730 -1.8114 -1.8114 3.7366 3.7366 3.8302 3.8302 4.3490 4.3490 4.5915 4.5915 k = 0.0000 0.7483 0.4394 ( 33055 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5091 -6.5091 -6.1729 -6.1729 -5.9472 -5.9472 -5.5853 -5.5853 -3.6293 -3.6293 -3.5466 -3.5466 -3.3517 -3.3517 -3.3267 -3.3267 -3.0764 -3.0764 -3.0624 -3.0624 -2.9434 -2.9434 -2.5915 -2.5915 -2.5268 -2.5268 -2.1245 -2.1245 -2.0978 -2.0978 -1.8284 -1.8284 3.7066 3.7066 3.8464 3.8464 4.3405 4.3405 4.6070 4.6070 k = 0.0000 0.7543 0.4155 ( 33047 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.4947 -6.4947 -6.1948 -6.1948 -5.9315 -5.9315 -5.5993 -5.5993 -3.6180 -3.6180 -3.5400 -3.5400 -3.3433 -3.3433 -3.3358 -3.3358 -3.0743 -3.0743 -3.0719 -3.0719 -2.9172 -2.9172 -2.5507 -2.5507 -2.5291 -2.5291 -2.1654 -2.1654 -2.1235 -2.1235 -1.8479 -1.8479 3.6817 3.6817 3.8544 3.8544 4.3411 4.3411 4.6227 4.6227 k = 0.0000 0.7602 0.3916 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.4804 -6.4804 -6.2161 -6.2161 -5.9148 -5.9148 -5.6144 -5.6144 -3.6058 -3.6058 -3.5333 -3.5333 -3.3458 -3.3458 -3.3365 -3.3365 -3.0841 -3.0841 -3.0692 -3.0692 -2.8879 -2.8879 -2.5303 -2.5303 -2.5089 -2.5089 -2.2070 -2.2070 -2.1499 -2.1499 -1.8701 -1.8701 3.6619 3.6619 3.8526 3.8526 4.3528 4.3528 4.6378 4.6378 k = 0.0000 0.7661 0.3677 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.4662 -6.4662 -6.2367 -6.2367 -5.8974 -5.8974 -5.6305 -5.6305 -3.5926 -3.5926 -3.5266 -3.5266 -3.3545 -3.3545 -3.3340 -3.3340 -3.0931 -3.0931 -3.0660 -3.0660 -2.8559 -2.8559 -2.5299 -2.5299 -2.4675 -2.4675 -2.2487 -2.2487 -2.1760 -2.1760 -1.8947 -1.8947 3.6473 3.6473 3.8415 3.8415 4.3753 4.3753 4.6514 4.6514 k = 0.0000 0.7721 0.3438 ( 33038 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4521 -6.4521 -6.2566 -6.2566 -5.8792 -5.8792 -5.6474 -5.6474 -3.5787 -3.5787 -3.5201 -3.5201 -3.3629 -3.3629 -3.3350 -3.3350 -3.0994 -3.0994 -3.0636 -3.0636 -2.8216 -2.8216 -2.5280 -2.5280 -2.4281 -2.4281 -2.2901 -2.2901 -2.2002 -2.2002 -1.9218 -1.9218 3.6377 3.6377 3.8230 3.8230 4.4064 4.4064 4.6625 4.6625 k = 0.0000 0.7780 0.3199 ( 33016 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4378 -6.4378 -6.2759 -6.2759 -5.8604 -5.8604 -5.6652 -5.6652 -3.5644 -3.5644 -3.5141 -3.5141 -3.3706 -3.3706 -3.3394 -3.3394 -3.1024 -3.1024 -3.0625 -3.0625 -2.7856 -2.7856 -2.5249 -2.5249 -2.3936 -2.3936 -2.3301 -2.3301 -2.2196 -2.2196 -1.9511 -1.9511 3.6331 3.6331 3.7998 3.7998 4.4431 4.4431 4.6700 4.6700 k = 0.0000 0.7839 0.2960 ( 33000 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4234 -6.4234 -6.2945 -6.2945 -5.8411 -5.8411 -5.6836 -5.6836 -3.5500 -3.5500 -3.5088 -3.5088 -3.3771 -3.3771 -3.3469 -3.3469 -3.1021 -3.1021 -3.0630 -3.0630 -2.7481 -2.7481 -2.5220 -2.5220 -2.3714 -2.3714 -2.3657 -2.3657 -2.2280 -2.2280 -1.9825 -1.9825 3.6334 3.6334 3.7742 3.7742 4.4826 4.4826 4.6728 4.6728 k = 0.0000 0.7898 0.2721 ( 32994 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4087 -6.4087 -6.3125 -6.3125 -5.8215 -5.8215 -5.7025 -5.7025 -3.5362 -3.5362 -3.5048 -3.5048 -3.3822 -3.3822 -3.3563 -3.3563 -3.0990 -3.0990 -3.0653 -3.0653 -2.7095 -2.7095 -2.5232 -2.5232 -2.3973 -2.3973 -2.3638 -2.3638 -2.2184 -2.2184 -2.0158 -2.0158 3.6383 3.6383 3.7480 3.7480 4.5223 4.5223 4.6699 4.6699 k = 0.0000 0.7958 0.2482 ( 33004 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3938 -6.3938 -6.3298 -6.3298 -5.8016 -5.8016 -5.7219 -5.7219 -3.5238 -3.5238 -3.5026 -3.5026 -3.3851 -3.3851 -3.3663 -3.3663 -3.0938 -3.0938 -3.0692 -3.0692 -2.6704 -2.6704 -2.5349 -2.5349 -2.4137 -2.4137 -2.3729 -2.3729 -2.1930 -2.1930 -2.0507 -2.0507 3.6477 3.6477 3.7227 3.7227 4.5599 4.5599 4.6607 4.6607 k = 0.0000 0.8017 0.2243 ( 33005 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3785 -6.3785 -6.3466 -6.3466 -5.7816 -5.7816 -5.7416 -5.7416 -3.5136 -3.5136 -3.5029 -3.5029 -3.3851 -3.3851 -3.3753 -3.3753 -3.0874 -3.0874 -3.0745 -3.0745 -2.6314 -2.6314 -2.5599 -2.5599 -2.4141 -2.4141 -2.3883 -2.3883 -2.1596 -2.1596 -2.0868 -2.0868 3.6613 3.6613 3.6993 3.6993 4.5937 4.5937 4.6449 4.6449 k = 0.0000 0.8076 0.2004 ( 33004 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3628 -6.3628 -6.3628 -6.3628 -5.7615 -5.7615 -5.7615 -5.7615 -3.5065 -3.5065 -3.5065 -3.5065 -3.3819 -3.3819 -3.3819 -3.3819 -3.0808 -3.0808 -3.0808 -3.0808 -2.5937 -2.5937 -2.5937 -2.5937 -2.4036 -2.4036 -2.4036 -2.4036 -2.1235 -2.1235 -2.1235 -2.1235 3.6786 3.6786 3.6786 3.6786 4.6223 4.6223 4.6223 4.6223 k = 0.0000 0.8076 0.2004 ( 33004 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3628 -6.3628 -6.3628 -6.3628 -5.7615 -5.7615 -5.7615 -5.7615 -3.5065 -3.5065 -3.5065 -3.5065 -3.3819 -3.3819 -3.3819 -3.3819 -3.0808 -3.0808 -3.0808 -3.0808 -2.5937 -2.5937 -2.5937 -2.5937 -2.4036 -2.4036 -2.4036 -2.4036 -2.1235 -2.1235 -2.1235 -2.1235 3.6786 3.6786 3.6786 3.6786 4.6223 4.6223 4.6223 4.6223 k = 0.0238 0.8076 0.2004 ( 33004 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3623 -6.3623 -6.3623 -6.3623 -5.7623 -5.7623 -5.7622 -5.7622 -3.5104 -3.5104 -3.5097 -3.5097 -3.3798 -3.3798 -3.3790 -3.3790 -3.0788 -3.0788 -3.0786 -3.0786 -2.5986 -2.5986 -2.5980 -2.5980 -2.4004 -2.4004 -2.3997 -2.3997 -2.1226 -2.1226 -2.1225 -2.1225 3.6800 3.6800 3.6800 3.6800 4.6174 4.6174 4.6174 4.6174 k = 0.0476 0.8076 0.2004 ( 32994 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3607 -6.3607 -6.3607 -6.3607 -5.7644 -5.7644 -5.7643 -5.7643 -3.5204 -3.5204 -3.5191 -3.5191 -3.3735 -3.3735 -3.3722 -3.3722 -3.0728 -3.0728 -3.0724 -3.0724 -2.6115 -2.6115 -2.6104 -2.6104 -2.3908 -2.3908 -2.3896 -2.3896 -2.1200 -2.1200 -2.1196 -2.1196 3.6840 3.6840 3.6841 3.6841 4.6030 4.6030 4.6031 4.6031 k = 0.0714 0.8076 0.2004 ( 33022 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3581 -6.3581 -6.3581 -6.3581 -5.7679 -5.7679 -5.7678 -5.7678 -3.5343 -3.5343 -3.5326 -3.5326 -3.3652 -3.3652 -3.3636 -3.3636 -3.0629 -3.0629 -3.0624 -3.0624 -2.6300 -2.6300 -2.6285 -2.6285 -2.3774 -2.3774 -2.3758 -2.3758 -2.1155 -2.1155 -2.1149 -2.1149 3.6906 3.6906 3.6908 3.6908 4.5806 4.5806 4.5807 4.5807 k = 0.0952 0.8076 0.2004 ( 33032 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3544 -6.3544 -6.3544 -6.3544 -5.7727 -5.7727 -5.7726 -5.7726 -3.5503 -3.5503 -3.5484 -3.5484 -3.3567 -3.3567 -3.3549 -3.3549 -3.0494 -3.0494 -3.0488 -3.0488 -2.6518 -2.6518 -2.6501 -2.6501 -2.3622 -2.3622 -2.3604 -2.3604 -2.1091 -2.1091 -2.1084 -2.1084 3.6999 3.6999 3.7001 3.7001 4.5521 4.5521 4.5522 4.5522 k = 0.1190 0.8076 0.2004 ( 33032 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3498 -6.3498 -6.3498 -6.3498 -5.7788 -5.7788 -5.7787 -5.7787 -3.5670 -3.5670 -3.5650 -3.5650 -3.3489 -3.3489 -3.3471 -3.3471 -3.0329 -3.0329 -3.0321 -3.0321 -2.6753 -2.6753 -2.6735 -2.6735 -2.3468 -2.3468 -2.3449 -2.3449 -2.1011 -2.1011 -2.1003 -2.1003 3.7117 3.7117 3.7119 3.7119 4.5193 4.5193 4.5195 4.5195 k = 0.1429 0.8076 0.2004 ( 33034 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3443 -6.3443 -6.3442 -6.3442 -5.7861 -5.7861 -5.7860 -5.7860 -3.5836 -3.5836 -3.5817 -3.5817 -3.3425 -3.3425 -3.3407 -3.3407 -3.0141 -3.0141 -3.0132 -3.0132 -2.6991 -2.6991 -2.6974 -2.6974 -2.3320 -2.3320 -2.3300 -2.3300 -2.0916 -2.0916 -2.0906 -2.0906 3.7259 3.7259 3.7262 3.7262 4.4841 4.4841 4.4843 4.4843 k = 0.1667 0.8076 0.2004 ( 33042 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3378 -6.3378 -6.3378 -6.3378 -5.7945 -5.7945 -5.7944 -5.7944 -3.5997 -3.5997 -3.5977 -3.5977 -3.3376 -3.3376 -3.3360 -3.3360 -2.9937 -2.9937 -2.9927 -2.9927 -2.7224 -2.7224 -2.7207 -2.7207 -2.3182 -2.3182 -2.3161 -2.3161 -2.0809 -2.0809 -2.0798 -2.0798 3.7424 3.7424 3.7428 3.7428 4.4479 4.4479 4.4481 4.4481 k = 0.1905 0.8076 0.2004 ( 33052 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3306 -6.3306 -6.3305 -6.3305 -5.8040 -5.8040 -5.8038 -5.8038 -3.6147 -3.6147 -3.6128 -3.6128 -3.3344 -3.3344 -3.3328 -3.3328 -2.9728 -2.9728 -2.9718 -2.9718 -2.7442 -2.7442 -2.7427 -2.7427 -2.3056 -2.3056 -2.3034 -2.3034 -2.0694 -2.0694 -2.0681 -2.0681 3.7611 3.7611 3.7615 3.7615 4.4121 4.4121 4.4123 4.4123 k = 0.2143 0.8076 0.2004 ( 33056 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3226 -6.3226 -6.3225 -6.3225 -5.8143 -5.8143 -5.8142 -5.8142 -3.6286 -3.6286 -3.6268 -3.6268 -3.3325 -3.3325 -3.3311 -3.3311 -2.9525 -2.9525 -2.9518 -2.9518 -2.7636 -2.7636 -2.7624 -2.7624 -2.2940 -2.2940 -2.2918 -2.2918 -2.0574 -2.0574 -2.0560 -2.0560 3.7818 3.7818 3.7823 3.7823 4.3777 4.3777 4.3780 4.3780 k = 0.2381 0.8076 0.2004 ( 33048 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3140 -6.3140 -6.3139 -6.3139 -5.8253 -5.8253 -5.8252 -5.8252 -3.6411 -3.6411 -3.6394 -3.6394 -3.3321 -3.3321 -3.3308 -3.3308 -2.9345 -2.9345 -2.9341 -2.9341 -2.7792 -2.7792 -2.7785 -2.7785 -2.2832 -2.2832 -2.2809 -2.2809 -2.0456 -2.0456 -2.0440 -2.0440 3.8044 3.8044 3.8049 3.8049 4.3456 4.3456 4.3459 4.3459 k = 0.2619 0.8076 0.2004 ( 33066 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3048 -6.3048 -6.3048 -6.3048 -5.8369 -5.8369 -5.8368 -5.8368 -3.6522 -3.6522 -3.6506 -3.6506 -3.3327 -3.3327 -3.3315 -3.3315 -2.9208 -2.9208 -2.9206 -2.9206 -2.7895 -2.7895 -2.7894 -2.7894 -2.2731 -2.2731 -2.2707 -2.2707 -2.0342 -2.0342 -2.0324 -2.0324 3.8285 3.8285 3.8291 3.8291 4.3165 4.3165 4.3169 4.3169 k = 0.2857 0.8076 0.2004 ( 33068 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2953 -6.2953 -6.2953 -6.2953 -5.8489 -5.8489 -5.8487 -5.8487 -3.6618 -3.6618 -3.6603 -3.6603 -3.3343 -3.3343 -3.3333 -3.3333 -2.9138 -2.9138 -2.9128 -2.9128 -2.7936 -2.7936 -2.7927 -2.7927 -2.2635 -2.2635 -2.2610 -2.2610 -2.0236 -2.0236 -2.0217 -2.0217 3.8541 3.8541 3.8547 3.8547 4.2909 4.2909 4.2913 4.2913 k = 0.3095 0.8076 0.2004 ( 33062 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2856 -6.2856 -6.2856 -6.2856 -5.8609 -5.8609 -5.8607 -5.8607 -3.6701 -3.6701 -3.6686 -3.6686 -3.3367 -3.3367 -3.3359 -3.3359 -2.9132 -2.9132 -2.9116 -2.9116 -2.7907 -2.7907 -2.7891 -2.7891 -2.2543 -2.2543 -2.2516 -2.2516 -2.0141 -2.0141 -2.0120 -2.0120 3.8808 3.8808 3.8814 3.8814 4.2691 4.2691 4.2695 4.2695 k = 0.3333 0.8076 0.2004 ( 33060 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2760 -6.2760 -6.2759 -6.2759 -5.8728 -5.8728 -5.8726 -5.8726 -3.6770 -3.6770 -3.6756 -3.6756 -3.3397 -3.3397 -3.3390 -3.3390 -2.9172 -2.9172 -2.9152 -2.9152 -2.7829 -2.7829 -2.7808 -2.7808 -2.2454 -2.2454 -2.2425 -2.2425 -2.0059 -2.0059 -2.0035 -2.0035 3.9084 3.9084 3.9091 3.9091 4.2511 4.2511 4.2516 4.2516 k = 0.3571 0.8076 0.2004 ( 33054 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2666 -6.2666 -6.2665 -6.2665 -5.8843 -5.8843 -5.8841 -5.8841 -3.6826 -3.6826 -3.6813 -3.6813 -3.3430 -3.3430 -3.3424 -3.3424 -2.9234 -2.9234 -2.9212 -2.9212 -2.7728 -2.7728 -2.7704 -2.7704 -2.2370 -2.2370 -2.2338 -2.2338 -1.9991 -1.9991 -1.9965 -1.9965 3.9366 3.9366 3.9373 3.9373 4.2367 4.2367 4.2372 4.2372 k = 0.3810 0.8076 0.2004 ( 33060 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2578 -6.2578 -6.2577 -6.2577 -5.8949 -5.8949 -5.8947 -5.8947 -3.6871 -3.6871 -3.6859 -3.6859 -3.3463 -3.3463 -3.3459 -3.3459 -2.9300 -2.9300 -2.9277 -2.9277 -2.7624 -2.7624 -2.7600 -2.7600 -2.2291 -2.2291 -2.2257 -2.2257 -1.9936 -1.9936 -1.9908 -1.9908 3.9652 3.9652 3.9659 3.9659 4.2253 4.2253 4.2257 4.2257 k = 0.4048 0.8076 0.2004 ( 33068 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2498 -6.2498 -6.2497 -6.2497 -5.9045 -5.9045 -5.9042 -5.9042 -3.6905 -3.6905 -3.6894 -3.6894 -3.3495 -3.3495 -3.3492 -3.3492 -2.9360 -2.9360 -2.9338 -2.9338 -2.7530 -2.7530 -2.7506 -2.7506 -2.2221 -2.2221 -2.2185 -2.2185 -1.9894 -1.9894 -1.9863 -1.9863 3.9936 3.9936 3.9943 3.9943 4.2158 4.2158 4.2162 4.2162 k = 0.4286 0.8076 0.2004 ( 33054 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2431 -6.2431 -6.2430 -6.2430 -5.9124 -5.9124 -5.9122 -5.9122 -3.6931 -3.6931 -3.6920 -3.6920 -3.3523 -3.3523 -3.3520 -3.3520 -2.9410 -2.9410 -2.9388 -2.9388 -2.7453 -2.7453 -2.7428 -2.7428 -2.2162 -2.2162 -2.2124 -2.2124 -1.9864 -1.9864 -1.9831 -1.9831 4.0212 4.0212 4.0218 4.0218 4.2069 4.2069 4.2073 4.2073 k = 0.4524 0.8076 0.2004 ( 33038 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2380 -6.2380 -6.2379 -6.2379 -5.9184 -5.9184 -5.9182 -5.9182 -3.6948 -3.6948 -3.6938 -3.6938 -3.3544 -3.3544 -3.3542 -3.3542 -2.9447 -2.9447 -2.9425 -2.9425 -2.7396 -2.7396 -2.7371 -2.7371 -2.2117 -2.2117 -2.2077 -2.2077 -1.9844 -1.9844 -1.9810 -1.9810 4.0464 4.0464 4.0469 4.0469 4.1975 4.1975 4.1979 4.1979 k = 0.4762 0.8076 0.2004 ( 33042 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2348 -6.2348 -6.2347 -6.2347 -5.9222 -5.9222 -5.9220 -5.9220 -3.6958 -3.6958 -3.6948 -3.6948 -3.3557 -3.3557 -3.3556 -3.3556 -2.9469 -2.9469 -2.9448 -2.9448 -2.7361 -2.7361 -2.7337 -2.7337 -2.2089 -2.2089 -2.2048 -2.2048 -1.9833 -1.9833 -1.9797 -1.9797 4.0658 4.0658 4.0663 4.0663 4.1884 4.1884 4.1887 4.1887 k = 0.5000 0.8076 0.2004 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2337 -6.2337 -6.2336 -6.2336 -5.9235 -5.9235 -5.9233 -5.9233 -3.6961 -3.6961 -3.6951 -3.6951 -3.3562 -3.3562 -3.3561 -3.3561 -2.9477 -2.9477 -2.9455 -2.9455 -2.7349 -2.7349 -2.7325 -2.7325 -2.2079 -2.2079 -2.2038 -2.2038 -1.9829 -1.9829 -1.9793 -1.9793 4.0736 4.0736 4.0740 4.0740 4.1842 4.1842 4.1844 4.1844 k = 0.5000 0.8076 0.2004 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2337 -6.2337 -6.2336 -6.2336 -5.9235 -5.9235 -5.9233 -5.9233 -3.6961 -3.6961 -3.6951 -3.6951 -3.3562 -3.3562 -3.3561 -3.3561 -2.9477 -2.9477 -2.9455 -2.9455 -2.7349 -2.7349 -2.7325 -2.7325 -2.2079 -2.2079 -2.2038 -2.2038 -1.9829 -1.9829 -1.9793 -1.9793 4.0736 4.0736 4.0740 4.0740 4.1842 4.1842 4.1844 4.1844 k = 0.5000 0.8136 0.1765 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2345 -6.2345 -6.2344 -6.2344 -5.9223 -5.9223 -5.9221 -5.9221 -3.6989 -3.6989 -3.6979 -3.6979 -3.3551 -3.3551 -3.3550 -3.3550 -2.9479 -2.9479 -2.9457 -2.9457 -2.7337 -2.7337 -2.7312 -2.7312 -2.2077 -2.2077 -2.2035 -2.2035 -1.9824 -1.9824 -1.9788 -1.9788 4.0716 4.0716 4.0720 4.0720 4.1704 4.1704 4.1707 4.1707 k = 0.5000 0.8195 0.1527 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2369 -6.2369 -6.2368 -6.2368 -5.9190 -5.9190 -5.9187 -5.9187 -3.7068 -3.7068 -3.7058 -3.7058 -3.3521 -3.3521 -3.3519 -3.3519 -2.9481 -2.9481 -2.9460 -2.9460 -2.7300 -2.7300 -2.7276 -2.7276 -2.2069 -2.2069 -2.2028 -2.2028 -1.9809 -1.9809 -1.9773 -1.9773 4.0655 4.0655 4.0660 4.0660 4.1385 4.1385 4.1388 4.1388 k = 0.5000 0.8254 0.1288 ( 33030 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2408 -6.2408 -6.2407 -6.2407 -5.9134 -5.9134 -5.9132 -5.9132 -3.7190 -3.7190 -3.7181 -3.7181 -3.3484 -3.3484 -3.3482 -3.3482 -2.9478 -2.9478 -2.9457 -2.9457 -2.7241 -2.7241 -2.7217 -2.7217 -2.2059 -2.2059 -2.2018 -2.2018 -1.9784 -1.9784 -1.9749 -1.9749 4.0546 4.0546 4.0552 4.0552 4.1012 4.1012 4.1015 4.1015 k = 0.5000 0.8314 0.1049 ( 33048 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2460 -6.2460 -6.2459 -6.2459 -5.9059 -5.9059 -5.9057 -5.9057 -3.7345 -3.7345 -3.7337 -3.7337 -3.3455 -3.3455 -3.3453 -3.3453 -2.9461 -2.9461 -2.9440 -2.9440 -2.7161 -2.7161 -2.7138 -2.7138 -2.2046 -2.2046 -2.2007 -2.2007 -1.9748 -1.9748 -1.9714 -1.9714 4.0335 4.0335 4.0342 4.0342 4.0700 4.0700 4.0701 4.0701 k = 0.5000 0.8373 0.0810 ( 33052 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2524 -6.2524 -6.2523 -6.2523 -5.8966 -5.8966 -5.8964 -5.8964 -3.7522 -3.7522 -3.7514 -3.7514 -3.3449 -3.3449 -3.3446 -3.3446 -2.9423 -2.9423 -2.9403 -2.9403 -2.7064 -2.7064 -2.7042 -2.7042 -2.2036 -2.2036 -2.1997 -2.1997 -1.9703 -1.9703 -1.9669 -1.9669 3.9977 3.9977 3.9984 3.9984 4.0524 4.0524 4.0525 4.0525 k = 0.5000 0.8432 0.0571 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2598 -6.2598 -6.2597 -6.2597 -5.8857 -5.8857 -5.8855 -5.8855 -3.7711 -3.7711 -3.7703 -3.7703 -3.3476 -3.3476 -3.3474 -3.3474 -2.9360 -2.9360 -2.9340 -2.9340 -2.6949 -2.6949 -2.6928 -2.6928 -2.2029 -2.2029 -2.1991 -2.1991 -1.9647 -1.9647 -1.9614 -1.9614 3.9564 3.9564 3.9570 3.9570 4.0411 4.0411 4.0412 4.0412 k = 0.5000 0.8491 0.0332 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2680 -6.2680 -6.2679 -6.2679 -5.8734 -5.8734 -5.8732 -5.8732 -3.7903 -3.7903 -3.7896 -3.7896 -3.3543 -3.3543 -3.3540 -3.3540 -2.9272 -2.9272 -2.9252 -2.9252 -2.6815 -2.6815 -2.6795 -2.6795 -2.2030 -2.2030 -2.1994 -2.1994 -1.9582 -1.9582 -1.9550 -1.9550 3.9146 3.9146 3.9153 3.9153 4.0325 4.0325 4.0326 4.0326 k = 0.5000 0.8551 0.0093 ( 33046 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2771 -6.2771 -6.2770 -6.2770 -5.8599 -5.8599 -5.8597 -5.8597 -3.8094 -3.8094 -3.8087 -3.8087 -3.3649 -3.3649 -3.3646 -3.3646 -2.9165 -2.9165 -2.9146 -2.9146 -2.6661 -2.6661 -2.6641 -2.6641 -2.2042 -2.2042 -2.2007 -2.2007 -1.9507 -1.9507 -1.9477 -1.9477 3.8739 3.8739 3.8745 3.8745 4.0262 4.0262 4.0263 4.0263 k = 0.5000 0.8610-0.0146 ( 33048 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2866 -6.2866 -6.2866 -6.2866 -5.8454 -5.8454 -5.8452 -5.8452 -3.8277 -3.8277 -3.8271 -3.8271 -3.3789 -3.3789 -3.3787 -3.3787 -2.9048 -2.9048 -2.9030 -2.9030 -2.6482 -2.6482 -2.6463 -2.6463 -2.2067 -2.2067 -2.2033 -2.2033 -1.9425 -1.9425 -1.9396 -1.9396 3.8350 3.8350 3.8356 3.8356 4.0223 4.0223 4.0224 4.0224 k = 0.5000 0.8669-0.0385 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.2967 -6.2967 -6.2966 -6.2966 -5.8300 -5.8300 -5.8298 -5.8298 -3.8448 -3.8448 -3.8443 -3.8443 -3.3959 -3.3959 -3.3956 -3.3956 -2.8931 -2.8931 -2.8913 -2.8913 -2.6278 -2.6278 -2.6259 -2.6259 -2.2108 -2.2108 -2.2076 -2.2076 -1.9336 -1.9336 -1.9309 -1.9309 3.7983 3.7983 3.7989 3.7989 4.0208 4.0208 4.0209 4.0209 k = 0.5000 0.8729-0.0624 ( 33060 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3072 -6.3072 -6.3071 -6.3071 -5.8139 -5.8139 -5.8137 -5.8137 -3.8606 -3.8606 -3.8601 -3.8601 -3.4150 -3.4150 -3.4148 -3.4148 -2.8821 -2.8821 -2.8804 -2.8804 -2.6047 -2.6047 -2.6028 -2.6028 -2.2167 -2.2167 -2.2135 -2.2135 -1.9243 -1.9243 -1.9217 -1.9217 3.7643 3.7643 3.7648 3.7648 4.0219 4.0219 4.0219 4.0219 k = 0.5000 0.8788-0.0863 ( 33044 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3180 -6.3180 -6.3179 -6.3179 -5.7973 -5.7973 -5.7972 -5.7972 -3.8747 -3.8747 -3.8743 -3.8743 -3.4355 -3.4355 -3.4354 -3.4354 -2.8725 -2.8725 -2.8709 -2.8709 -2.5791 -2.5791 -2.5773 -2.5773 -2.2243 -2.2243 -2.2213 -2.2213 -1.9147 -1.9147 -1.9123 -1.9123 3.7333 3.7333 3.7337 3.7337 4.0255 4.0255 4.0255 4.0255 k = 0.5000 0.8847-0.1102 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3290 -6.3290 -6.3289 -6.3289 -5.7804 -5.7804 -5.7802 -5.7802 -3.8870 -3.8870 -3.8866 -3.8866 -3.4569 -3.4569 -3.4569 -3.4569 -2.8645 -2.8645 -2.8630 -2.8630 -2.5514 -2.5514 -2.5496 -2.5496 -2.2336 -2.2336 -2.2308 -2.2308 -1.9051 -1.9051 -1.9029 -1.9029 3.7055 3.7055 3.7059 3.7059 4.0314 4.0314 4.0315 4.0315 k = 0.5000 0.8907-0.1341 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3402 -6.3402 -6.3401 -6.3401 -5.7632 -5.7632 -5.7631 -5.7631 -3.8973 -3.8973 -3.8970 -3.8970 -3.4786 -3.4786 -3.4786 -3.4786 -2.8582 -2.8582 -2.8568 -2.8568 -2.5223 -2.5223 -2.5205 -2.5205 -2.2445 -2.2445 -2.2418 -2.2418 -1.8957 -1.8957 -1.8936 -1.8936 3.6812 3.6812 3.6815 3.6815 4.0397 4.0397 4.0398 4.0398 k = 0.5000 0.8907-0.1341 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3402 -6.3402 -6.3401 -6.3401 -5.7632 -5.7632 -5.7631 -5.7631 -3.8973 -3.8973 -3.8970 -3.8970 -3.4786 -3.4786 -3.4786 -3.4786 -2.8582 -2.8582 -2.8568 -2.8568 -2.5223 -2.5223 -2.5205 -2.5205 -2.2445 -2.2445 -2.2418 -2.2418 -1.8957 -1.8957 -1.8936 -1.8936 3.6812 3.6812 3.6815 3.6815 4.0397 4.0397 4.0398 4.0398 k = 0.5000 0.8814-0.1564 ( 33038 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3518 -6.3518 -6.3517 -6.3517 -5.7329 -5.7329 -5.7328 -5.7328 -3.9104 -3.9104 -3.9100 -3.9100 -3.5160 -3.5160 -3.5159 -3.5159 -2.8567 -2.8567 -2.8555 -2.8555 -2.5039 -2.5039 -2.5021 -2.5021 -2.2407 -2.2407 -2.2382 -2.2382 -1.8894 -1.8894 -1.8876 -1.8876 3.6609 3.6609 3.6612 3.6612 4.0593 4.0593 4.0595 4.0595 k = 0.5000 0.8722-0.1786 ( 33058 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3624 -6.3624 -6.3623 -6.3623 -5.7042 -5.7042 -5.7040 -5.7040 -3.9222 -3.9222 -3.9219 -3.9219 -3.5514 -3.5514 -3.5513 -3.5513 -2.8553 -2.8553 -2.8542 -2.8542 -2.4865 -2.4865 -2.4849 -2.4849 -2.2374 -2.2374 -2.2350 -2.2350 -1.8839 -1.8839 -1.8824 -1.8824 3.6430 3.6430 3.6433 3.6433 4.0802 4.0802 4.0804 4.0804 k = 0.5000 0.8630-0.2009 ( 33076 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3719 -6.3719 -6.3719 -6.3719 -5.6775 -5.6775 -5.6774 -5.6774 -3.9327 -3.9327 -3.9324 -3.9324 -3.5840 -3.5840 -3.5840 -3.5840 -2.8540 -2.8540 -2.8531 -2.8531 -2.4705 -2.4705 -2.4690 -2.4690 -2.2345 -2.2345 -2.2323 -2.2323 -1.8792 -1.8792 -1.8779 -1.8779 3.6275 3.6275 3.6278 3.6278 4.1013 4.1013 4.1016 4.1016 k = 0.5000 0.8538-0.2232 ( 33058 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3801 -6.3801 -6.3801 -6.3801 -5.6537 -5.6537 -5.6536 -5.6536 -3.9418 -3.9418 -3.9416 -3.9416 -3.6130 -3.6130 -3.6130 -3.6130 -2.8529 -2.8529 -2.8521 -2.8521 -2.4561 -2.4561 -2.4547 -2.4547 -2.2322 -2.2322 -2.2303 -2.2303 -1.8754 -1.8754 -1.8743 -1.8743 3.6144 3.6144 3.6147 3.6147 4.1215 4.1215 4.1218 4.1218 k = 0.5000 0.8445-0.2454 ( 33062 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3870 -6.3870 -6.3870 -6.3870 -5.6333 -5.6333 -5.6332 -5.6332 -3.9495 -3.9495 -3.9494 -3.9494 -3.6377 -3.6377 -3.6377 -3.6377 -2.8520 -2.8520 -2.8514 -2.8514 -2.4436 -2.4436 -2.4424 -2.4424 -2.2304 -2.2304 -2.2288 -2.2288 -1.8723 -1.8723 -1.8715 -1.8715 3.6037 3.6037 3.6039 3.6039 4.1396 4.1396 4.1399 4.1399 k = 0.5000 0.8353-0.2677 ( 33072 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3924 -6.3924 -6.3924 -6.3924 -5.6168 -5.6168 -5.6167 -5.6167 -3.9557 -3.9557 -3.9555 -3.9555 -3.6576 -3.6576 -3.6576 -3.6576 -2.8513 -2.8513 -2.8509 -2.8509 -2.4333 -2.4333 -2.4324 -2.4324 -2.2292 -2.2292 -2.2279 -2.2279 -1.8700 -1.8700 -1.8694 -1.8694 3.5954 3.5954 3.5956 3.5956 4.1547 4.1547 4.1550 4.1550 k = 0.5000 0.8261-0.2900 ( 33062 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3963 -6.3963 -6.3963 -6.3963 -5.6046 -5.6046 -5.6046 -5.6046 -3.9602 -3.9602 -3.9601 -3.9601 -3.6721 -3.6721 -3.6721 -3.6721 -2.8509 -2.8509 -2.8506 -2.8506 -2.4256 -2.4256 -2.4250 -2.4250 -2.2283 -2.2283 -2.2274 -2.2274 -1.8684 -1.8684 -1.8680 -1.8680 3.5895 3.5895 3.5896 3.5896 4.1660 4.1660 4.1662 4.1662 k = 0.5000 0.8169-0.3123 ( 33078 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3987 -6.3987 -6.3987 -6.3987 -5.5972 -5.5972 -5.5971 -5.5971 -3.9629 -3.9629 -3.9628 -3.9628 -3.6810 -3.6810 -3.6809 -3.6809 -2.8506 -2.8506 -2.8504 -2.8504 -2.4208 -2.4208 -2.4205 -2.4205 -2.2277 -2.2277 -2.2273 -2.2273 -1.8674 -1.8674 -1.8672 -1.8672 3.5860 3.5860 3.5860 3.5860 4.1730 4.1730 4.1731 4.1731 k = 0.5000 0.8076-0.3345 ( 33056 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3995 -6.3995 -6.3995 -6.3995 -5.5946 -5.5946 -5.5946 -5.5946 -3.9638 -3.9638 -3.9638 -3.9638 -3.6839 -3.6839 -3.6839 -3.6839 -2.8504 -2.8504 -2.8504 -2.8504 -2.4190 -2.4190 -2.4190 -2.4190 -2.2274 -2.2274 -2.2274 -2.2274 -1.8670 -1.8670 -1.8670 -1.8670 3.5848 3.5848 3.5848 3.5848 4.1754 4.1754 4.1754 4.1754 k = 0.5000 0.8076-0.3345 ( 33056 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3995 -6.3995 -6.3995 -6.3995 -5.5946 -5.5946 -5.5946 -5.5946 -3.9638 -3.9638 -3.9638 -3.9638 -3.6839 -3.6839 -3.6839 -3.6839 -2.8504 -2.8504 -2.8504 -2.8504 -2.4190 -2.4190 -2.4190 -2.4190 -2.2274 -2.2274 -2.2274 -2.2274 -1.8670 -1.8670 -1.8670 -1.8670 3.5848 3.5848 3.5848 3.5848 4.1754 4.1754 4.1754 4.1754 k = 0.4762 0.8076-0.3345 ( 33072 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4197 -6.4197 -6.3789 -6.3789 -5.5962 -5.5962 -5.5939 -5.5939 -3.9750 -3.9750 -3.9495 -3.9495 -3.6925 -3.6925 -3.6731 -3.6731 -2.8645 -2.8645 -2.8400 -2.8400 -2.4336 -2.4336 -2.4060 -2.4060 -2.2564 -2.2564 -2.1982 -2.1982 -1.8972 -1.8972 -1.8384 -1.8384 3.5744 3.5744 3.6014 3.6014 4.1422 4.1422 4.2106 4.2106 k = 0.4524 0.8076-0.3345 ( 33066 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4395 -6.4395 -6.3580 -6.3580 -5.5987 -5.5987 -5.5941 -5.5941 -3.9832 -3.9832 -3.9321 -3.9321 -3.6988 -3.6988 -3.6602 -3.6602 -2.8823 -2.8823 -2.8330 -2.8330 -2.4487 -2.4487 -2.3971 -2.3971 -2.2818 -2.2818 -2.1703 -2.1703 -1.9282 -1.9282 -1.8117 -1.8117 3.5707 3.5707 3.6237 3.6237 4.1116 4.1116 4.2473 4.2473 k = 0.4286 0.8076-0.3345 ( 33066 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4588 -6.4588 -6.3369 -6.3369 -5.6021 -5.6021 -5.5949 -5.5949 -3.9882 -3.9882 -3.9118 -3.9118 -3.7028 -3.7028 -3.6454 -3.6454 -2.9037 -2.9037 -2.8292 -2.8292 -2.4645 -2.4645 -2.3986 -2.3986 -2.2972 -2.2972 -2.1456 -2.1456 -1.9585 -1.9585 -1.7873 -1.7873 3.5738 3.5738 3.6507 3.6507 4.0843 4.0843 4.2853 4.2853 k = 0.4048 0.8076-0.3345 ( 33064 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4774 -6.4774 -6.3158 -6.3158 -5.6064 -5.6064 -5.5965 -5.5965 -3.9901 -3.9901 -3.8887 -3.8887 -3.7044 -3.7044 -3.6286 -3.6286 -2.9284 -2.9284 -2.8283 -2.8283 -2.4809 -2.4809 -2.4159 -2.4159 -2.2969 -2.2969 -2.1273 -2.1273 -1.9849 -1.9849 -1.7653 -1.7653 3.5837 3.5837 3.6806 3.6806 4.0619 4.0619 4.3243 4.3243 k = 0.3810 0.8076-0.3345 ( 33080 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4954 -6.4954 -6.2946 -6.2946 -5.6117 -5.6117 -5.5986 -5.5986 -3.9889 -3.9889 -3.8628 -3.8628 -3.7036 -3.7036 -3.6101 -3.6101 -2.9563 -2.9563 -2.8299 -2.8299 -2.4985 -2.4985 -2.4453 -2.4453 -2.2846 -2.2846 -2.1221 -2.1221 -2.0006 -2.0006 -1.7459 -1.7459 3.6005 3.6005 3.7110 3.7110 4.0466 4.0466 4.3638 4.3638 k = 0.3571 0.8076-0.3345 ( 33076 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5126 -6.5126 -6.2735 -6.2735 -5.6178 -5.6178 -5.6012 -5.6012 -3.9846 -3.9846 -3.8343 -3.8343 -3.7004 -3.7004 -3.5901 -3.5901 -2.9870 -2.9870 -2.8334 -2.8334 -2.5174 -2.5174 -2.4805 -2.4805 -2.2664 -2.2664 -2.1357 -2.1357 -1.9997 -1.9997 -1.7291 -1.7291 3.6241 3.6241 3.7377 3.7377 4.0424 4.0424 4.4035 4.4035 k = 0.3333 0.8076-0.3345 ( 33064 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4907 -45.4907 -6.5291 -6.5291 -6.2527 -6.2527 -5.6247 -5.6247 -5.6043 -5.6043 -3.9774 -3.9774 -3.8033 -3.8033 -3.6949 -3.6949 -3.5687 -3.5687 -3.0202 -3.0202 -2.8386 -2.8386 -2.5381 -2.5381 -2.5187 -2.5187 -2.2452 -2.2452 -2.1637 -2.1637 -1.9865 -1.9865 -1.7151 -1.7151 3.6541 3.6541 3.7559 3.7559 4.0537 4.0537 4.4428 4.4428 k = 0.3095 0.8076-0.3345 ( 33064 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5446 -6.5446 -6.2322 -6.2322 -5.6322 -5.6322 -5.6076 -5.6076 -3.9672 -3.9672 -3.7700 -3.7700 -3.6872 -3.6872 -3.5462 -3.5462 -3.0556 -3.0556 -2.8450 -2.8450 -2.5617 -2.5617 -2.5575 -2.5575 -2.2223 -2.2223 -2.1985 -2.1985 -1.9682 -1.9682 -1.7037 -1.7037 3.6904 3.6904 3.7628 3.7628 4.0832 4.0832 4.4803 4.4803 k = 0.2857 0.8076-0.3345 ( 33054 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5592 -6.5592 -6.2121 -6.2121 -5.6404 -5.6404 -5.6111 -5.6111 -3.9542 -3.9542 -3.7346 -3.7346 -3.6773 -3.6773 -3.5228 -3.5228 -3.0929 -3.0929 -2.8526 -2.8526 -2.5998 -2.5998 -2.5843 -2.5843 -2.2366 -2.2366 -2.1980 -2.1980 -1.9484 -1.9484 -1.6951 -1.6951 3.7327 3.7327 3.7592 3.7592 4.1293 4.1293 4.5090 4.5090 k = 0.2619 0.8076-0.3345 ( 33042 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5729 -6.5729 -6.1925 -6.1925 -5.6491 -5.6491 -5.6147 -5.6147 -3.9385 -3.9385 -3.6971 -3.6971 -3.6654 -3.6654 -3.4988 -3.4988 -3.1317 -3.1317 -2.8610 -2.8610 -2.6408 -2.6408 -2.6103 -2.6103 -2.2757 -2.2757 -2.1734 -2.1734 -1.9287 -1.9287 -1.6890 -1.6890 3.7486 3.7486 3.7804 3.7804 4.1883 4.1883 4.5100 4.5100 k = 0.2381 0.8076-0.3345 ( 33026 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5855 -6.5855 -6.1737 -6.1737 -5.6582 -5.6582 -5.6183 -5.6183 -3.9202 -3.9202 -3.6579 -3.6579 -3.6517 -3.6517 -3.4744 -3.4744 -3.1717 -3.1717 -2.8706 -2.8706 -2.6817 -2.6817 -2.6373 -2.6373 -2.3151 -2.3151 -2.1484 -2.1484 -1.9097 -1.9097 -1.6854 -1.6854 3.7341 3.7341 3.8332 3.8332 4.2565 4.2565 4.5053 4.5053 k = 0.2143 0.8076-0.3345 ( 33008 PWs) bands (ev): -45.4927 -45.4927 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5970 -6.5970 -6.1556 -6.1556 -5.6674 -5.6674 -5.6219 -5.6219 -3.8994 -3.8994 -3.6365 -3.6365 -3.6171 -3.6171 -3.4501 -3.4501 -3.2125 -3.2125 -2.8816 -2.8816 -2.7221 -2.7221 -2.6647 -2.6647 -2.3540 -2.3540 -2.1236 -2.1236 -1.8920 -1.8920 -1.6841 -1.6841 3.7180 3.7180 3.8905 3.8905 4.3309 4.3309 4.5023 4.5023 k = 0.1905 0.8076-0.3345 ( 33028 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.6075 -6.6075 -6.1386 -6.1386 -5.6767 -5.6767 -5.6253 -5.6253 -3.8764 -3.8764 -3.6202 -3.6202 -3.5750 -3.5750 -3.4263 -3.4263 -3.2539 -3.2539 -2.8948 -2.8948 -2.7614 -2.7614 -2.6913 -2.6913 -2.3921 -2.3921 -2.0992 -2.0992 -1.8757 -1.8757 -1.6849 -1.6849 3.7016 3.7016 3.9516 3.9516 4.4087 4.4087 4.5013 4.5013 k = 0.1667 0.8076-0.3345 ( 33026 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6168 -6.6168 -6.1228 -6.1228 -5.6857 -5.6857 -5.6285 -5.6285 -3.8512 -3.8512 -3.6031 -3.6031 -3.5320 -3.5320 -3.4032 -3.4032 -3.2956 -3.2956 -2.9111 -2.9111 -2.7991 -2.7991 -2.7154 -2.7154 -2.4287 -2.4287 -2.0755 -2.0755 -1.8610 -1.8610 -1.6876 -1.6876 3.6859 3.6859 4.0159 4.0159 4.4858 4.4858 4.5022 4.5022 k = 0.1429 0.8076-0.3345 ( 33046 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6249 -6.6249 -6.1083 -6.1083 -5.6943 -5.6943 -5.6313 -5.6313 -3.8242 -3.8242 -3.5858 -3.5858 -3.4884 -3.4884 -3.3815 -3.3815 -3.3370 -3.3370 -2.9317 -2.9317 -2.8345 -2.8345 -2.7355 -2.7355 -2.4635 -2.4635 -2.0531 -2.0531 -1.8481 -1.8481 -1.6918 -1.6918 3.6713 3.6713 4.0825 4.0825 4.5044 4.5044 4.5503 4.5503 k = 0.1190 0.8076-0.3345 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6318 -6.6318 -6.0954 -6.0954 -5.7023 -5.7023 -5.6339 -5.6339 -3.7956 -3.7956 -3.5690 -3.5690 -3.4450 -3.4450 -3.3780 -3.3780 -3.3612 -3.3612 -2.9572 -2.9572 -2.8668 -2.8668 -2.7502 -2.7502 -2.4956 -2.4956 -2.0323 -2.0323 -1.8370 -1.8370 -1.6970 -1.6970 3.6585 3.6585 4.1502 4.1502 4.5074 4.5074 4.5776 4.5776 k = 0.0952 0.8076-0.3345 ( 33048 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6375 -6.6375 -6.0844 -6.0844 -5.7094 -5.7094 -5.6360 -5.6360 -3.7661 -3.7661 -3.5536 -3.5536 -3.4176 -3.4176 -3.4026 -3.4026 -3.3427 -3.3427 -2.9870 -2.9870 -2.8954 -2.8954 -2.7596 -2.7596 -2.5246 -2.5246 -2.0138 -2.0138 -1.8278 -1.8278 -1.7028 -1.7028 3.6476 3.6476 4.2178 4.2178 4.5101 4.5101 4.5811 4.5811 k = 0.0714 0.8076-0.3345 ( 33046 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6419 -6.6419 -6.0755 -6.0755 -5.7152 -5.7152 -5.6377 -5.6377 -3.7363 -3.7363 -3.5410 -3.5410 -3.4540 -3.4540 -3.3653 -3.3653 -3.3245 -3.3245 -3.0194 -3.0194 -2.9191 -2.9191 -2.7643 -2.7643 -2.5492 -2.5492 -1.9982 -1.9982 -1.8206 -1.8206 -1.7084 -1.7084 3.6390 3.6390 4.2832 4.2832 4.5112 4.5112 4.5799 4.5799 k = 0.0476 0.8076-0.3345 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6451 -6.6451 -6.0689 -6.0689 -5.7196 -5.7196 -5.6390 -5.6390 -3.7082 -3.7082 -3.5337 -3.5337 -3.4845 -3.4845 -3.3393 -3.3393 -3.3022 -3.3022 -3.0513 -3.0513 -2.9370 -2.9370 -2.7659 -2.7659 -2.5685 -2.5685 -1.9863 -1.9863 -1.8154 -1.8154 -1.7132 -1.7132 3.6327 3.6327 4.3435 4.3435 4.5085 4.5085 4.5781 4.5781 k = 0.0238 0.8076-0.3345 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6470 -6.6470 -6.0649 -6.0649 -5.7223 -5.7223 -5.6397 -5.6397 -3.6856 -3.6856 -3.5362 -3.5362 -3.5012 -3.5012 -3.3271 -3.3271 -3.2788 -3.2788 -3.0771 -3.0771 -2.9482 -2.9482 -2.7658 -2.7658 -2.5809 -2.5809 -1.9788 -1.9788 -1.8123 -1.8123 -1.7165 -1.7165 3.6289 3.6289 4.3927 4.3927 4.5002 4.5002 4.5769 4.5769 k = 0.0000 0.8076-0.3345 ( 33048 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6476 -6.6476 -6.0635 -6.0635 -5.7233 -5.7233 -5.6400 -5.6400 -3.6762 -3.6762 -3.5413 -3.5413 -3.5043 -3.5043 -3.3237 -3.3237 -3.2683 -3.2683 -3.0877 -3.0877 -2.9520 -2.9520 -2.7657 -2.7657 -2.5852 -2.5852 -1.9762 -1.9762 -1.8112 -1.8112 -1.7176 -1.7176 3.6276 3.6276 4.4151 4.4151 4.4929 4.4929 4.5765 4.5765 k = 0.0000 0.8076-0.3345 ( 33048 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6476 -6.6476 -6.0635 -6.0635 -5.7233 -5.7233 -5.6400 -5.6400 -3.6762 -3.6762 -3.5413 -3.5413 -3.5043 -3.5043 -3.3237 -3.3237 -3.2683 -3.2683 -3.0877 -3.0877 -2.9520 -2.9520 -2.7657 -2.7657 -2.5852 -2.5852 -1.9762 -1.9762 -1.8112 -1.8112 -1.7176 -1.7176 3.6276 3.6276 4.4151 4.4151 4.4929 4.4929 4.5765 4.5765 k = 0.0000 0.8169-0.3123 ( 33054 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6467 -6.6467 -6.0627 -6.0627 -5.7371 -5.7371 -5.6295 -5.6295 -3.6759 -3.6759 -3.5396 -3.5396 -3.5091 -3.5091 -3.3152 -3.3152 -3.2682 -3.2682 -3.0871 -3.0871 -2.9550 -2.9550 -2.7657 -2.7657 -2.5832 -2.5832 -1.9767 -1.9767 -1.8138 -1.8138 -1.7179 -1.7179 3.6294 3.6294 4.4153 4.4153 4.4514 4.4514 4.5566 4.5566 k = 0.0000 0.8261-0.2900 ( 33073 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6437 -6.6437 -6.0603 -6.0603 -5.7679 -5.7679 -5.6088 -5.6088 -3.6752 -3.6752 -3.5347 -3.5347 -3.5208 -3.5208 -3.2923 -3.2923 -3.2679 -3.2679 -3.0851 -3.0851 -2.9637 -2.9637 -2.7657 -2.7657 -2.5777 -2.5777 -1.9782 -1.9782 -1.8212 -1.8212 -1.7187 -1.7187 3.6348 3.6348 4.3698 4.3698 4.4157 4.4157 4.5499 4.5499 k = 0.0000 0.8353-0.2677 ( 33060 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6388 -6.6388 -6.0563 -6.0563 -5.8057 -5.8057 -5.5877 -5.5877 -3.6740 -3.6740 -3.5361 -3.5361 -3.5255 -3.5255 -3.2677 -3.2677 -3.2598 -3.2598 -3.0818 -3.0818 -2.9772 -2.9772 -2.7655 -2.7655 -2.5693 -2.5693 -1.9805 -1.9805 -1.8331 -1.8331 -1.7207 -1.7207 3.6437 3.6437 4.2837 4.2837 4.4163 4.4163 4.5475 4.5475 k = 0.0000 0.8445-0.2454 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6319 -6.6319 -6.0506 -6.0506 -5.8471 -5.8471 -5.5695 -5.5695 -3.6724 -3.6724 -3.5495 -3.5495 -3.5141 -3.5141 -3.2676 -3.2676 -3.2219 -3.2219 -3.0769 -3.0769 -2.9941 -2.9941 -2.7647 -2.7647 -2.5592 -2.5592 -1.9838 -1.9838 -1.8489 -1.8489 -1.7242 -1.7242 3.6560 3.6560 4.1998 4.1998 4.4167 4.4167 4.5460 4.5460 k = 0.0000 0.8538-0.2232 ( 33075 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6230 -6.6230 -6.0435 -6.0435 -5.8911 -5.8911 -5.5551 -5.5551 -3.6706 -3.6706 -3.5605 -3.5605 -3.4990 -3.4990 -3.2681 -3.2681 -3.1815 -3.1815 -3.0702 -3.0702 -3.0130 -3.0130 -2.7629 -2.7629 -2.5482 -2.5482 -1.9880 -1.9880 -1.8681 -1.8681 -1.7297 -1.7297 3.6714 3.6714 4.1201 4.1201 4.4166 4.4166 4.5451 4.5451 k = 0.0000 0.8630-0.2009 ( 33074 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.6123 -6.6123 -6.0347 -6.0347 -5.9367 -5.9367 -5.5451 -5.5451 -3.6685 -3.6685 -3.5681 -3.5681 -3.4805 -3.4805 -3.2698 -3.2698 -3.1417 -3.1417 -3.0606 -3.0606 -3.0324 -3.0324 -2.7592 -2.7592 -2.5373 -2.5373 -1.9930 -1.9930 -1.8903 -1.8903 -1.7373 -1.7373 3.6898 3.6898 4.0454 4.0454 4.4153 4.4153 4.5448 4.5448 k = 0.0000 0.8722-0.1786 ( 33073 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.5996 -6.5996 -6.0245 -6.0245 -5.9836 -5.9836 -5.5397 -5.5397 -3.6664 -3.6664 -3.5719 -3.5719 -3.4587 -3.4587 -3.2733 -3.2733 -3.1069 -3.1069 -3.0512 -3.0512 -3.0452 -3.0452 -2.7524 -2.7524 -2.5273 -2.5273 -1.9988 -1.9988 -1.9152 -1.9152 -1.7475 -1.7475 3.7107 3.7107 3.9763 3.9763 4.4121 4.4121 4.5456 4.5456 k = 0.0000 0.8814-0.1564 ( 33073 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4909 -45.4909 -45.4907 -45.4907 -6.5850 -6.5850 -6.0313 -6.0313 -6.0128 -6.0128 -5.5387 -5.5387 -3.6644 -3.6644 -3.5717 -3.5717 -3.4337 -3.4337 -3.2796 -3.2796 -3.0820 -3.0820 -3.0666 -3.0666 -3.0228 -3.0228 -2.7407 -2.7407 -2.5186 -2.5186 -2.0053 -2.0053 -1.9425 -1.9425 -1.7601 -1.7601 3.7337 3.7337 3.9133 3.9133 4.4062 4.4062 4.5476 4.5476 k = 0.0000 0.8907-0.1341 ( 33078 PWs) bands (ev): -45.4928 -45.4928 -45.4926 -45.4926 -45.4908 -45.4908 -45.4907 -45.4907 -6.5685 -6.5685 -6.0795 -6.0795 -5.9996 -5.9996 -5.5421 -5.5421 -3.6627 -3.6627 -3.5677 -3.5677 -3.4058 -3.4058 -3.2891 -3.2891 -3.0787 -3.0787 -3.0658 -3.0658 -2.9957 -2.9957 -2.7222 -2.7222 -2.5117 -2.5117 -2.0124 -2.0124 -1.9718 -1.9718 -1.7754 -1.7754 3.7582 3.7582 3.8567 3.8567 4.3966 4.3966 4.5513 4.5513 k = 0.5000 0.7246 0.5350 ( 33036 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3402 -6.3402 -6.3401 -6.3401 -5.7632 -5.7632 -5.7631 -5.7631 -3.8973 -3.8973 -3.8970 -3.8970 -3.4786 -3.4786 -3.4786 -3.4786 -2.8582 -2.8582 -2.8568 -2.8568 -2.5223 -2.5223 -2.5205 -2.5205 -2.2445 -2.2445 -2.2418 -2.2418 -1.8957 -1.8957 -1.8936 -1.8936 3.6812 3.6812 3.6815 3.6815 4.0397 4.0397 4.0398 4.0398 k = 0.5000 0.7005 0.5350 ( 33034 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3391 -6.3391 -6.3390 -6.3390 -5.7878 -5.7878 -5.7877 -5.7877 -3.8871 -3.8871 -3.8867 -3.8867 -3.4482 -3.4482 -3.4481 -3.4481 -2.8525 -2.8525 -2.8508 -2.8508 -2.5088 -2.5088 -2.5069 -2.5069 -2.2682 -2.2682 -2.2655 -2.2655 -1.8922 -1.8922 -1.8900 -1.8900 3.6834 3.6834 3.6837 3.6837 4.0252 4.0252 4.0253 4.0253 k = 0.5000 0.6763 0.5350 ( 33024 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3406 -6.3406 -6.3405 -6.3405 -5.8130 -5.8130 -5.8129 -5.8129 -3.8729 -3.8729 -3.8725 -3.8725 -3.4153 -3.4153 -3.4150 -3.4150 -2.8471 -2.8471 -2.8453 -2.8453 -2.4965 -2.4965 -2.4945 -2.4945 -2.2906 -2.2906 -2.2880 -2.2880 -1.8884 -1.8884 -1.8861 -1.8861 3.6885 3.6885 3.6888 3.6888 4.0141 4.0141 4.0142 4.0142 k = 0.5000 0.6522 0.5350 ( 32994 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3445 -6.3445 -6.3444 -6.3444 -5.8386 -5.8386 -5.8385 -5.8385 -3.8546 -3.8546 -3.8541 -3.8541 -3.3803 -3.3803 -3.3799 -3.3799 -2.8421 -2.8421 -2.8401 -2.8401 -2.4862 -2.4862 -2.4843 -2.4843 -2.3109 -2.3109 -2.3084 -2.3084 -1.8845 -1.8845 -1.8821 -1.8821 3.6965 3.6965 3.6967 3.6967 4.0064 4.0064 4.0065 4.0065 k = 0.5000 0.6280 0.5350 ( 32996 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3507 -6.3507 -6.3506 -6.3506 -5.8644 -5.8644 -5.8642 -5.8642 -3.8324 -3.8324 -3.8319 -3.8319 -3.3437 -3.3437 -3.3431 -3.3431 -2.8371 -2.8371 -2.8349 -2.8349 -2.4791 -2.4791 -2.4773 -2.4773 -2.3279 -2.3279 -2.3256 -2.3256 -1.8804 -1.8804 -1.8778 -1.8778 3.7072 3.7072 3.7074 3.7074 4.0024 4.0024 4.0025 4.0025 k = 0.5000 0.6038 0.5350 ( 32994 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3590 -6.3590 -6.3590 -6.3590 -5.8902 -5.8902 -5.8900 -5.8900 -3.8065 -3.8065 -3.8060 -3.8060 -3.3059 -3.3059 -3.3051 -3.3051 -2.8320 -2.8320 -2.8297 -2.8297 -2.4766 -2.4766 -2.4752 -2.4752 -2.3400 -2.3400 -2.3381 -2.3381 -1.8761 -1.8761 -1.8735 -1.8735 3.7204 3.7204 3.7206 3.7206 4.0020 4.0020 4.0021 4.0021 k = 0.5000 0.5797 0.5350 ( 33000 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3693 -6.3693 -6.3692 -6.3692 -5.9158 -5.9158 -5.9157 -5.9157 -3.7771 -3.7771 -3.7766 -3.7766 -3.2675 -3.2675 -3.2666 -3.2666 -2.8265 -2.8265 -2.8240 -2.8240 -2.4799 -2.4799 -2.4790 -2.4790 -2.3462 -2.3462 -2.3449 -2.3449 -1.8718 -1.8718 -1.8691 -1.8691 3.7361 3.7361 3.7363 3.7363 4.0053 4.0053 4.0053 4.0053 k = 0.5000 0.5555 0.5350 ( 32998 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3813 -6.3813 -6.3812 -6.3812 -5.9412 -5.9412 -5.9410 -5.9410 -3.7445 -3.7445 -3.7439 -3.7439 -3.2291 -3.2291 -3.2281 -3.2281 -2.8202 -2.8202 -2.8175 -2.8175 -2.4888 -2.4888 -2.4885 -2.4885 -2.3466 -2.3466 -2.3460 -2.3460 -1.8676 -1.8676 -1.8647 -1.8647 3.7540 3.7540 3.7541 3.7541 4.0123 4.0123 4.0123 4.0123 k = 0.5000 0.5314 0.5350 ( 33012 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.3947 -6.3947 -6.3947 -6.3947 -5.9662 -5.9662 -5.9660 -5.9660 -3.7090 -3.7090 -3.7084 -3.7084 -3.1915 -3.1915 -3.1904 -3.1904 -2.8126 -2.8126 -2.8097 -2.8097 -2.5022 -2.5022 -2.5019 -2.5019 -2.3427 -2.3427 -2.3427 -2.3427 -1.8634 -1.8634 -1.8605 -1.8605 3.7739 3.7739 3.7740 3.7740 4.0230 4.0230 4.0230 4.0230 k = 0.5000 0.5072 0.5350 ( 33020 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4093 -6.4093 -6.4093 -6.4093 -5.9907 -5.9907 -5.9905 -5.9905 -3.6709 -3.6709 -3.6704 -3.6704 -3.1554 -3.1554 -3.1542 -3.1542 -2.8033 -2.8033 -2.8002 -2.8002 -2.5181 -2.5181 -2.5175 -2.5175 -2.3367 -2.3367 -2.3364 -2.3364 -1.8593 -1.8593 -1.8563 -1.8563 3.7955 3.7955 3.7955 3.7955 4.0373 4.0373 4.0373 4.0373 k = 0.5000 0.4831 0.5350 ( 33014 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4249 -6.4249 -6.4249 -6.4249 -6.0146 -6.0146 -6.0145 -6.0145 -3.6308 -3.6308 -3.6302 -3.6302 -3.1217 -3.1217 -3.1204 -3.1204 -2.7916 -2.7916 -2.7883 -2.7883 -2.5349 -2.5349 -2.5339 -2.5339 -2.3295 -2.3295 -2.3289 -2.3289 -1.8555 -1.8555 -1.8524 -1.8524 3.8183 3.8183 3.8183 3.8183 4.0551 4.0551 4.0551 4.0551 k = 0.5000 0.4589 0.5350 ( 33008 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4412 -6.4412 -6.4411 -6.4411 -6.0379 -6.0379 -6.0377 -6.0377 -3.5889 -3.5889 -3.5884 -3.5884 -3.0911 -3.0911 -3.0898 -3.0898 -2.7772 -2.7772 -2.7737 -2.7737 -2.5513 -2.5513 -2.5500 -2.5500 -2.3218 -2.3218 -2.3210 -2.3210 -1.8520 -1.8520 -1.8489 -1.8489 3.8421 3.8421 3.8422 3.8422 4.0762 4.0762 4.0762 4.0762 k = 0.5000 0.4348 0.5350 ( 33022 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4579 -6.4579 -6.4578 -6.4578 -6.0604 -6.0604 -6.0602 -6.0602 -3.5458 -3.5458 -3.5453 -3.5453 -3.0644 -3.0644 -3.0631 -3.0631 -2.7598 -2.7598 -2.7563 -2.7563 -2.5664 -2.5664 -2.5649 -2.5649 -2.3143 -2.3143 -2.3133 -2.3133 -1.8489 -1.8489 -1.8457 -1.8457 3.8666 3.8666 3.8666 3.8666 4.1001 4.1001 4.1001 4.1001 k = 0.5000 0.4106 0.5350 ( 33004 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4748 -6.4748 -6.4747 -6.4747 -6.0821 -6.0821 -6.0820 -6.0820 -3.5020 -3.5020 -3.5015 -3.5015 -3.0419 -3.0419 -3.0407 -3.0407 -2.7401 -2.7401 -2.7364 -2.7364 -2.5790 -2.5790 -2.5772 -2.5772 -2.3072 -2.3072 -2.3061 -2.3061 -1.8463 -1.8463 -1.8431 -1.8431 3.8911 3.8911 3.8912 3.8912 4.1264 4.1264 4.1265 4.1265 k = 0.5000 0.3865 0.5350 ( 33020 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4908 -45.4908 -45.4908 -45.4908 -6.4917 -6.4917 -6.4917 -6.4917 -6.1030 -6.1030 -6.1028 -6.1028 -3.4579 -3.4579 -3.4574 -3.4574 -3.0235 -3.0235 -3.0225 -3.0225 -2.7196 -2.7196 -2.7158 -2.7158 -2.5874 -2.5874 -2.5854 -2.5854 -2.3008 -2.3008 -2.2996 -2.2996 -1.8443 -1.8443 -1.8410 -1.8410 3.9153 3.9153 3.9154 3.9154 4.1545 4.1545 4.1546 4.1546 k = 0.5000 0.3623 0.5350 ( 33026 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.5084 -6.5084 -6.5084 -6.5084 -6.1229 -6.1229 -6.1227 -6.1227 -3.4142 -3.4142 -3.4137 -3.4137 -3.0090 -3.0090 -3.0082 -3.0082 -2.7013 -2.7013 -2.6975 -2.6975 -2.5887 -2.5887 -2.5865 -2.5865 -2.2951 -2.2951 -2.2939 -2.2939 -1.8431 -1.8431 -1.8397 -1.8397 3.9387 3.9387 3.9388 3.9388 4.1834 4.1834 4.1837 4.1837 k = 0.5000 0.3382 0.5350 ( 33030 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.5248 -6.5248 -6.5247 -6.5247 -6.1418 -6.1418 -6.1416 -6.1416 -3.3714 -3.3714 -3.3710 -3.3710 -2.9978 -2.9978 -2.9972 -2.9972 -2.6887 -2.6887 -2.6852 -2.6852 -2.5795 -2.5795 -2.5777 -2.5777 -2.2901 -2.2901 -2.2890 -2.2890 -1.8427 -1.8427 -1.8393 -1.8393 3.9605 3.9605 3.9606 3.9606 4.2125 4.2125 4.2129 4.2129 k = 0.5000 0.3140 0.5350 ( 33030 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.5406 -6.5406 -6.5406 -6.5406 -6.1596 -6.1596 -6.1595 -6.1595 -3.3301 -3.3301 -3.3297 -3.3297 -2.9894 -2.9894 -2.9890 -2.9890 -2.6826 -2.6826 -2.6797 -2.6797 -2.5598 -2.5598 -2.5586 -2.5586 -2.2859 -2.2859 -2.2848 -2.2848 -1.8432 -1.8432 -1.8397 -1.8397 3.9801 3.9801 3.9802 3.9802 4.2407 4.2407 4.2412 4.2412 k = 0.5000 0.2898 0.5350 ( 33042 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.5558 -6.5558 -6.5557 -6.5557 -6.1764 -6.1764 -6.1762 -6.1762 -3.2909 -3.2909 -3.2906 -3.2906 -2.9833 -2.9833 -2.9830 -2.9830 -2.6800 -2.6800 -2.6776 -2.6776 -2.5333 -2.5333 -2.5329 -2.5329 -2.2820 -2.2820 -2.2812 -2.2812 -1.8448 -1.8448 -1.8413 -1.8413 3.9970 3.9970 3.9971 3.9971 4.2674 4.2674 4.2681 4.2681 k = 0.5000 0.2657 0.5350 ( 33038 PWs) bands (ev): -45.4927 -45.4927 -45.4927 -45.4927 -45.4907 -45.4907 -45.4907 -45.4907 -6.5701 -6.5701 -6.5701 -6.5701 -6.1920 -6.1920 -6.1918 -6.1918 -3.2543 -3.2543 -3.2541 -3.2541 -2.9792 -2.9792 -2.9790 -2.9790 -2.6777 -2.6777 -2.6757 -2.6757 -2.5043 -2.5043 -2.5041 -2.5041 -2.2784 -2.2784 -2.2777 -2.2777 -1.8476 -1.8476 -1.8440 -1.8440 4.0108 4.0108 4.0108 4.0108 4.2922 4.2922 4.2931 4.2931 k = 0.5000 0.2415 0.5350 ( 33046 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.5835 -6.5835 -6.5835 -6.5835 -6.2064 -6.2064 -6.2062 -6.2062 -3.2209 -3.2209 -3.2208 -3.2208 -2.9769 -2.9769 -2.9768 -2.9768 -2.6738 -2.6738 -2.6719 -2.6719 -2.4757 -2.4757 -2.4749 -2.4749 -2.2742 -2.2742 -2.2739 -2.2739 -1.8517 -1.8517 -1.8479 -1.8479 4.0213 4.0213 4.0214 4.0214 4.3148 4.3148 4.3158 4.3158 k = 0.5000 0.2174 0.5350 ( 33060 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.5960 -6.5960 -6.5959 -6.5959 -6.2195 -6.2195 -6.2194 -6.2194 -3.1909 -3.1909 -3.1908 -3.1908 -2.9763 -2.9763 -2.9761 -2.9761 -2.6672 -2.6672 -2.6654 -2.6654 -2.4493 -2.4493 -2.4478 -2.4478 -2.2688 -2.2688 -2.2687 -2.2687 -1.8571 -1.8571 -1.8531 -1.8531 4.0291 4.0291 4.0292 4.0292 4.3345 4.3345 4.3357 4.3357 k = 0.5000 0.1932 0.5350 ( 33066 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6073 -6.6073 -6.6073 -6.6073 -6.2314 -6.2314 -6.2313 -6.2313 -3.1644 -3.1644 -3.1644 -3.1644 -2.9771 -2.9771 -2.9770 -2.9770 -2.6576 -2.6576 -2.6559 -2.6559 -2.4271 -2.4271 -2.4248 -2.4248 -2.2613 -2.2613 -2.2606 -2.2606 -1.8638 -1.8638 -1.8597 -1.8597 4.0349 4.0349 4.0350 4.0350 4.3501 4.3501 4.3514 4.3514 k = 0.5000 0.1691 0.5350 ( 33088 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6174 -6.6174 -6.6174 -6.6174 -6.2420 -6.2420 -6.2418 -6.2418 -3.1415 -3.1415 -3.1414 -3.1414 -2.9794 -2.9794 -2.9792 -2.9792 -2.6453 -2.6453 -2.6435 -2.6435 -2.4107 -2.4107 -2.4077 -2.4077 -2.2502 -2.2502 -2.2491 -2.2491 -1.8718 -1.8718 -1.8675 -1.8675 4.0397 4.0397 4.0399 4.0399 4.3592 4.3592 4.3607 4.3607 k = 0.5000 0.1449 0.5350 ( 33088 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6264 -6.6264 -6.6263 -6.6263 -6.2512 -6.2512 -6.2511 -6.2511 -3.1218 -3.1218 -3.1217 -3.1217 -2.9829 -2.9829 -2.9826 -2.9826 -2.6307 -2.6307 -2.6290 -2.6290 -2.4007 -2.4007 -2.3971 -2.3971 -2.2353 -2.2353 -2.2339 -2.2339 -1.8809 -1.8809 -1.8764 -1.8764 4.0447 4.0447 4.0448 4.0448 4.3588 4.3588 4.3603 4.3603 k = 0.5000 0.1208 0.5350 ( 33064 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6340 -6.6340 -6.6340 -6.6340 -6.2591 -6.2591 -6.2589 -6.2589 -3.1051 -3.1051 -3.1050 -3.1050 -2.9872 -2.9872 -2.9869 -2.9869 -2.6148 -2.6148 -2.6131 -2.6131 -2.3966 -2.3966 -2.3925 -2.3925 -2.2174 -2.2174 -2.2159 -2.2159 -1.8909 -1.8909 -1.8861 -1.8861 4.0506 4.0506 4.0508 4.0508 4.3472 4.3472 4.3487 4.3487 k = 0.5000 0.0966 0.5350 ( 33068 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6403 -6.6403 -6.6403 -6.6403 -6.2655 -6.2655 -6.2654 -6.2654 -3.0910 -3.0910 -3.0910 -3.0910 -2.9922 -2.9922 -2.9917 -2.9917 -2.5987 -2.5987 -2.5971 -2.5971 -2.3968 -2.3968 -2.3924 -2.3924 -2.1984 -2.1984 -2.1971 -2.1971 -1.9012 -1.9012 -1.8961 -1.8961 4.0579 4.0579 4.0581 4.0581 4.3264 4.3264 4.3279 4.3279 k = 0.5000 0.0725 0.5350 ( 33062 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6452 -6.6452 -6.6452 -6.6452 -6.2705 -6.2705 -6.2704 -6.2704 -3.0796 -3.0796 -3.0795 -3.0795 -2.9973 -2.9973 -2.9967 -2.9967 -2.5837 -2.5837 -2.5822 -2.5822 -2.3997 -2.3997 -2.3950 -2.3950 -2.1804 -2.1804 -2.1794 -2.1794 -1.9112 -1.9112 -1.9057 -1.9057 4.0667 4.0667 4.0668 4.0668 4.3014 4.3014 4.3028 4.3028 k = 0.5000 0.0483 0.5350 ( 33050 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6488 -6.6488 -6.6488 -6.6488 -6.2742 -6.2742 -6.2740 -6.2740 -3.0708 -3.0708 -3.0706 -3.0706 -3.0020 -3.0020 -3.0013 -3.0013 -2.5711 -2.5711 -2.5698 -2.5698 -2.4036 -2.4036 -2.3987 -2.3987 -2.1655 -2.1655 -2.1647 -2.1647 -1.9198 -1.9198 -1.9140 -1.9140 4.0758 4.0758 4.0760 4.0760 4.2775 4.2775 4.2789 4.2789 k = 0.5000 0.0242 0.5350 ( 33046 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6509 -6.6509 -6.6509 -6.6509 -6.2763 -6.2763 -6.2762 -6.2762 -3.0650 -3.0650 -3.0647 -3.0647 -3.0055 -3.0055 -3.0047 -3.0047 -2.5627 -2.5627 -2.5615 -2.5615 -2.4069 -2.4069 -2.4018 -2.4018 -2.1555 -2.1555 -2.1550 -2.1550 -1.9258 -1.9258 -1.9197 -1.9197 4.0833 4.0833 4.0835 4.0835 4.2601 4.2601 4.2614 4.2614 k = 0.5000-0.0000 0.5350 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6516 -6.6516 -6.6516 -6.6516 -6.2770 -6.2770 -6.2769 -6.2769 -3.0629 -3.0629 -3.0626 -3.0626 -3.0068 -3.0068 -3.0060 -3.0060 -2.5597 -2.5597 -2.5585 -2.5585 -2.4082 -2.4082 -2.4030 -2.4030 -2.1520 -2.1520 -2.1516 -2.1516 -1.9279 -1.9279 -1.9217 -1.9217 4.0863 4.0863 4.0865 4.0865 4.2536 4.2536 4.2549 4.2549 k = 0.5000-0.0000 0.5350 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6516 -6.6516 -6.6516 -6.6516 -6.2770 -6.2770 -6.2769 -6.2769 -3.0629 -3.0629 -3.0626 -3.0626 -3.0068 -3.0068 -3.0060 -3.0060 -2.5597 -2.5597 -2.5585 -2.5585 -2.4082 -2.4082 -2.4030 -2.4030 -2.1520 -2.1520 -2.1516 -2.1516 -1.9279 -1.9279 -1.9217 -1.9217 4.0863 4.0863 4.0865 4.0865 4.2536 4.2536 4.2549 4.2549 k = 0.5000-0.0000 0.5107 ( 33050 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6548 -6.6548 -6.6548 -6.6548 -6.2727 -6.2727 -6.2726 -6.2726 -3.0665 -3.0665 -3.0662 -3.0662 -3.0067 -3.0067 -3.0059 -3.0059 -2.5631 -2.5631 -2.5618 -2.5618 -2.4045 -2.4045 -2.3995 -2.3995 -2.1515 -2.1515 -2.1511 -2.1511 -1.9265 -1.9265 -1.9204 -1.9204 4.0847 4.0847 4.0849 4.0849 4.2534 4.2534 4.2548 4.2548 k = 0.5000-0.0000 0.4863 ( 33058 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6639 -6.6639 -6.6639 -6.6639 -6.2603 -6.2603 -6.2602 -6.2602 -3.0761 -3.0761 -3.0759 -3.0759 -3.0076 -3.0076 -3.0068 -3.0068 -2.5717 -2.5717 -2.5701 -2.5701 -2.3948 -2.3948 -2.3903 -2.3903 -2.1500 -2.1500 -2.1498 -2.1498 -1.9225 -1.9225 -1.9164 -1.9164 4.0801 4.0801 4.0802 4.0802 4.2530 4.2530 4.2544 4.2544 k = 0.5000-0.0000 0.4620 ( 33074 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6778 -6.6778 -6.6777 -6.6777 -6.2409 -6.2409 -6.2408 -6.2408 -3.0902 -3.0902 -3.0900 -3.0900 -3.0116 -3.0116 -3.0109 -3.0109 -2.5817 -2.5817 -2.5800 -2.5800 -2.3822 -2.3822 -2.3783 -2.3783 -2.1476 -2.1476 -2.1476 -2.1476 -1.9159 -1.9159 -1.9099 -1.9099 4.0727 4.0727 4.0728 4.0728 4.2527 4.2527 4.2541 4.2541 k = 0.5000-0.0000 0.4377 ( 33060 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6951 -6.6951 -6.6950 -6.6950 -6.2160 -6.2160 -6.2159 -6.2159 -3.1075 -3.1075 -3.1074 -3.1074 -3.0204 -3.0204 -3.0198 -3.0198 -2.5901 -2.5901 -2.5881 -2.5881 -2.3690 -2.3690 -2.3657 -2.3657 -2.1445 -2.1445 -2.1443 -2.1443 -1.9071 -1.9071 -1.9013 -1.9013 4.0628 4.0628 4.0629 4.0629 4.2531 4.2531 4.2545 4.2545 k = 0.5000-0.0000 0.4134 ( 33050 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7145 -6.7145 -6.7145 -6.7145 -6.1869 -6.1869 -6.1867 -6.1867 -3.1276 -3.1276 -3.1275 -3.1275 -3.0343 -3.0343 -3.0338 -3.0338 -2.5945 -2.5945 -2.5925 -2.5925 -2.3567 -2.3567 -2.3540 -2.3540 -2.1407 -2.1407 -2.1402 -2.1402 -1.8965 -1.8965 -1.8909 -1.8909 4.0509 4.0509 4.0509 4.0509 4.2547 4.2547 4.2561 4.2561 k = 0.5000-0.0000 0.3891 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7352 -6.7352 -6.7351 -6.7351 -6.1546 -6.1546 -6.1545 -6.1545 -3.1506 -3.1506 -3.1505 -3.1505 -3.0528 -3.0528 -3.0524 -3.0524 -2.5941 -2.5941 -2.5922 -2.5922 -2.3461 -2.3461 -2.3440 -2.3440 -2.1363 -2.1363 -2.1354 -2.1354 -1.8847 -1.8847 -1.8793 -1.8793 4.0371 4.0371 4.0371 4.0371 4.2582 4.2582 4.2596 4.2596 k = 0.5000-0.0000 0.3648 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7562 -6.7562 -6.7562 -6.7562 -6.1202 -6.1202 -6.1201 -6.1201 -3.1771 -3.1771 -3.1770 -3.1770 -3.0740 -3.0740 -3.0737 -3.0737 -2.5891 -2.5891 -2.5872 -2.5872 -2.3373 -2.3373 -2.3358 -2.3358 -2.1313 -2.1313 -2.1302 -2.1302 -1.8720 -1.8720 -1.8670 -1.8670 4.0219 4.0219 4.0219 4.0219 4.2639 4.2639 4.2654 4.2654 k = 0.5000-0.0000 0.3404 ( 33054 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7772 -6.7772 -6.7771 -6.7771 -6.0843 -6.0843 -6.0842 -6.0842 -3.2077 -3.2077 -3.2076 -3.2076 -3.0960 -3.0960 -3.0958 -3.0958 -2.5800 -2.5800 -2.5781 -2.5781 -2.3305 -2.3305 -2.3295 -2.3295 -2.1259 -2.1259 -2.1245 -2.1245 -1.8592 -1.8592 -1.8544 -1.8544 4.0055 4.0055 4.0056 4.0056 4.2722 4.2722 4.2737 4.2737 k = 0.5000-0.0000 0.3161 ( 33062 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7976 -6.7976 -6.7975 -6.7975 -6.0476 -6.0476 -6.0475 -6.0475 -3.2423 -3.2423 -3.2422 -3.2422 -3.1171 -3.1171 -3.1170 -3.1170 -2.5677 -2.5677 -2.5659 -2.5659 -2.3254 -2.3254 -2.3248 -2.3248 -2.1202 -2.1202 -2.1187 -2.1187 -1.8465 -1.8465 -1.8421 -1.8421 3.9884 3.9884 3.9885 3.9885 4.2831 4.2831 4.2846 4.2846 k = 0.5000-0.0000 0.2918 ( 33058 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8171 -6.8171 -6.8171 -6.8171 -6.0106 -6.0106 -6.0105 -6.0105 -3.2805 -3.2805 -3.2804 -3.2804 -3.1364 -3.1364 -3.1363 -3.1363 -2.5532 -2.5532 -2.5515 -2.5515 -2.3218 -2.3218 -2.3216 -2.3216 -2.1143 -2.1143 -2.1128 -2.1128 -1.8346 -1.8346 -1.8305 -1.8305 3.9709 3.9709 3.9710 3.9710 4.2962 4.2962 4.2978 4.2978 k = 0.5000-0.0000 0.2675 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8356 -6.8356 -6.8356 -6.8356 -5.9738 -5.9738 -5.9737 -5.9737 -3.3210 -3.3210 -3.3209 -3.3209 -3.1536 -3.1536 -3.1535 -3.1535 -2.5372 -2.5372 -2.5355 -2.5355 -2.3195 -2.3195 -2.3194 -2.3194 -2.1084 -2.1084 -2.1068 -2.1068 -1.8236 -1.8236 -1.8198 -1.8198 3.9534 3.9534 3.9535 3.9535 4.3111 4.3111 4.3127 4.3127 k = 0.5000-0.0000 0.2432 ( 33044 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8528 -6.8528 -6.8528 -6.8528 -5.9377 -5.9377 -5.9376 -5.9376 -3.3626 -3.3626 -3.3625 -3.3625 -3.1689 -3.1689 -3.1689 -3.1689 -2.5203 -2.5203 -2.5187 -2.5187 -2.3184 -2.3184 -2.3181 -2.3181 -2.1025 -2.1025 -2.1009 -2.1009 -1.8138 -1.8138 -1.8104 -1.8104 3.9362 3.9362 3.9363 3.9363 4.3271 4.3271 4.3287 4.3287 k = 0.5000-0.0000 0.2189 ( 33036 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8687 -6.8687 -6.8687 -6.8687 -5.9028 -5.9028 -5.9027 -5.9027 -3.4041 -3.4041 -3.4040 -3.4040 -3.1825 -3.1825 -3.1824 -3.1824 -2.5031 -2.5031 -2.5016 -2.5016 -2.3182 -2.3182 -2.3177 -2.3177 -2.0967 -2.0967 -2.0952 -2.0952 -1.8054 -1.8054 -1.8023 -1.8023 3.9196 3.9196 3.9198 3.9198 4.3433 4.3433 4.3449 4.3449 k = 0.5000-0.0000 0.1945 ( 33044 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8832 -6.8832 -6.8831 -6.8831 -5.8696 -5.8696 -5.8696 -5.8696 -3.4443 -3.4443 -3.4442 -3.4442 -3.1944 -3.1944 -3.1944 -3.1944 -2.4861 -2.4861 -2.4846 -2.4846 -2.3187 -2.3187 -2.3180 -2.3180 -2.0911 -2.0911 -2.0897 -2.0897 -1.7984 -1.7984 -1.7956 -1.7956 3.9041 3.9041 3.9042 3.9042 4.3590 4.3590 4.3605 4.3605 k = 0.5000-0.0000 0.1702 ( 33038 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8960 -6.8960 -6.8960 -6.8960 -5.8386 -5.8386 -5.8386 -5.8386 -3.4823 -3.4823 -3.4822 -3.4822 -3.2048 -3.2048 -3.2048 -3.2048 -2.4697 -2.4697 -2.4683 -2.4683 -2.3198 -2.3198 -2.3190 -2.3190 -2.0858 -2.0858 -2.0845 -2.0845 -1.7927 -1.7927 -1.7902 -1.7902 3.8898 3.8898 3.8899 3.8899 4.3734 4.3734 4.3748 4.3748 k = 0.5000-0.0000 0.1459 ( 33032 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9073 -6.9073 -6.9073 -6.9073 -5.8104 -5.8104 -5.8103 -5.8103 -3.5173 -3.5173 -3.5172 -3.5172 -3.2138 -3.2138 -3.2138 -3.2138 -2.4543 -2.4543 -2.4529 -2.4529 -2.3214 -2.3214 -2.3205 -2.3205 -2.0808 -2.0808 -2.0796 -2.0796 -1.7883 -1.7883 -1.7861 -1.7861 3.8769 3.8769 3.8770 3.8770 4.3861 4.3861 4.3873 4.3873 k = 0.5000-0.0000 0.1216 ( 33050 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9169 -6.9169 -6.9169 -6.9169 -5.7854 -5.7854 -5.7853 -5.7853 -3.5483 -3.5483 -3.5482 -3.5482 -3.2213 -3.2213 -3.2213 -3.2213 -2.4402 -2.4402 -2.4389 -2.4389 -2.3233 -2.3233 -2.3224 -2.3224 -2.0763 -2.0763 -2.0753 -2.0753 -1.7850 -1.7850 -1.7832 -1.7832 3.8657 3.8657 3.8658 3.8658 4.3966 4.3966 4.3977 4.3977 k = 0.5000-0.0000 0.0973 ( 33048 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9248 -6.9248 -6.9248 -6.9248 -5.7641 -5.7641 -5.7641 -5.7641 -3.5748 -3.5748 -3.5747 -3.5747 -3.2275 -3.2275 -3.2275 -3.2275 -2.4276 -2.4276 -2.4265 -2.4265 -2.3255 -2.3255 -2.3247 -2.3247 -2.0724 -2.0724 -2.0715 -2.0715 -1.7826 -1.7826 -1.7811 -1.7811 3.8563 3.8563 3.8564 3.8564 4.4049 4.4049 4.4059 4.4059 k = 0.5000-0.0000 0.0730 ( 33046 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9310 -6.9310 -6.9310 -6.9310 -5.7470 -5.7470 -5.7470 -5.7470 -3.5961 -3.5961 -3.5960 -3.5960 -3.2322 -3.2322 -3.2322 -3.2322 -2.4171 -2.4171 -2.4161 -2.4161 -2.3278 -2.3278 -2.3271 -2.3271 -2.0691 -2.0691 -2.0685 -2.0685 -1.7809 -1.7809 -1.7798 -1.7798 3.8489 3.8489 3.8490 3.8490 4.4112 4.4112 4.4119 4.4119 k = 0.5000-0.0000 0.0486 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9354 -6.9354 -6.9354 -6.9354 -5.7345 -5.7345 -5.7345 -5.7345 -3.6117 -3.6117 -3.6116 -3.6116 -3.2357 -3.2357 -3.2357 -3.2357 -2.4089 -2.4089 -2.4082 -2.4082 -2.3299 -2.3299 -2.3293 -2.3293 -2.0667 -2.0667 -2.0662 -2.0662 -1.7799 -1.7799 -1.7791 -1.7791 3.8436 3.8436 3.8436 3.8436 4.4155 4.4155 4.4160 4.4160 k = 0.5000-0.0000 0.0243 ( 33070 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9381 -6.9381 -6.9381 -6.9381 -5.7268 -5.7268 -5.7268 -5.7268 -3.6212 -3.6212 -3.6212 -3.6212 -3.2377 -3.2377 -3.2377 -3.2377 -2.4036 -2.4036 -2.4032 -2.4032 -2.3313 -2.3313 -2.3309 -2.3309 -2.0651 -2.0651 -2.0649 -2.0649 -1.7792 -1.7792 -1.7788 -1.7788 3.8403 3.8403 3.8404 3.8404 4.4181 4.4181 4.4183 4.4183 k = 0.5000-0.0000-0.0000 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.9390 -6.9390 -6.9390 -6.9390 -5.7243 -5.7243 -5.7243 -5.7243 -3.6244 -3.6244 -3.6244 -3.6244 -3.2384 -3.2384 -3.2384 -3.2384 -2.4016 -2.4016 -2.4016 -2.4016 -2.3317 -2.3317 -2.3317 -2.3317 -2.0645 -2.0645 -2.0645 -2.0645 -1.7789 -1.7789 -1.7789 -1.7789 3.8393 3.8393 3.8393 3.8393 4.4190 4.4190 4.4190 4.4190 k = 0.0000 0.0000 0.5350 ( 33006 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8664 -6.8664 -6.8664 -6.8664 -5.8633 -5.8633 -5.8633 -5.8633 -3.8820 -3.8820 -3.8820 -3.8820 -2.8023 -2.8023 -2.8023 -2.8023 -2.4812 -2.4812 -2.4812 -2.4812 -2.1830 -2.1830 -2.1830 -2.1830 -2.0111 -2.0111 -2.0111 -2.0111 -1.8909 -1.8909 -1.8909 -1.8909 4.1916 4.1916 4.1916 4.1916 4.3201 4.3201 4.3201 4.3201 k = 0.0238-0.0000 0.5350 ( 33012 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8656 -6.8656 -6.8656 -6.8656 -5.8654 -5.8654 -5.8654 -5.8654 -3.8789 -3.8789 -3.8789 -3.8789 -2.8022 -2.8022 -2.8021 -2.8021 -2.4816 -2.4816 -2.4813 -2.4813 -2.1837 -2.1837 -2.1836 -2.1836 -2.0121 -2.0121 -2.0119 -2.0119 -1.8914 -1.8914 -1.8913 -1.8913 4.1916 4.1916 4.1917 4.1917 4.3170 4.3170 4.3171 4.3171 k = 0.0476-0.0000 0.5350 ( 33020 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8633 -6.8633 -6.8633 -6.8633 -5.8717 -5.8717 -5.8717 -5.8717 -3.8697 -3.8697 -3.8697 -3.8697 -2.8017 -2.8017 -2.8015 -2.8015 -2.4826 -2.4826 -2.4819 -2.4819 -2.1857 -2.1857 -2.1856 -2.1856 -2.0147 -2.0147 -2.0143 -2.0143 -1.8930 -1.8930 -1.8927 -1.8927 4.1918 4.1918 4.1920 4.1920 4.3093 4.3093 4.3096 4.3096 k = 0.0714-0.0000 0.5350 ( 33014 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8594 -6.8594 -6.8594 -6.8594 -5.8820 -5.8820 -5.8820 -5.8820 -3.8545 -3.8545 -3.8544 -3.8544 -2.8008 -2.8008 -2.8006 -2.8006 -2.4841 -2.4841 -2.4830 -2.4830 -2.1892 -2.1892 -2.1889 -2.1889 -2.0191 -2.0191 -2.0185 -2.0185 -1.8953 -1.8953 -1.8948 -1.8948 4.1920 4.1920 4.1924 4.1924 4.2997 4.2997 4.3001 4.3001 k = 0.0952-0.0000 0.5350 ( 33020 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8541 -6.8541 -6.8541 -6.8541 -5.8960 -5.8960 -5.8960 -5.8960 -3.8335 -3.8335 -3.8335 -3.8335 -2.7998 -2.7998 -2.7995 -2.7995 -2.4861 -2.4861 -2.4847 -2.4847 -2.1940 -2.1940 -2.1937 -2.1937 -2.0253 -2.0253 -2.0245 -2.0245 -1.8983 -1.8983 -1.8975 -1.8975 4.1922 4.1922 4.1926 4.1926 4.2899 4.2899 4.2904 4.2904 k = 0.1190-0.0000 0.5350 ( 33034 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8472 -6.8472 -6.8472 -6.8472 -5.9135 -5.9135 -5.9135 -5.9135 -3.8072 -3.8072 -3.8072 -3.8072 -2.7985 -2.7985 -2.7982 -2.7982 -2.4887 -2.4887 -2.4871 -2.4871 -2.2003 -2.2003 -2.2001 -2.2001 -2.0331 -2.0331 -2.0322 -2.0322 -1.9016 -1.9016 -1.9005 -1.9005 4.1918 4.1918 4.1923 4.1923 4.2809 4.2809 4.2815 4.2815 k = 0.1429-0.0000 0.5350 ( 33036 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8389 -6.8389 -6.8389 -6.8389 -5.9341 -5.9341 -5.9340 -5.9340 -3.7760 -3.7760 -3.7760 -3.7760 -2.7972 -2.7972 -2.7968 -2.7968 -2.4919 -2.4919 -2.4900 -2.4900 -2.2082 -2.2082 -2.2080 -2.2080 -2.0425 -2.0425 -2.0416 -2.0416 -1.9050 -1.9050 -1.9035 -1.9035 4.1902 4.1902 4.1909 4.1909 4.2738 4.2738 4.2745 4.2745 k = 0.1667-0.0000 0.5350 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8292 -6.8292 -6.8292 -6.8292 -5.9573 -5.9573 -5.9572 -5.9572 -3.7403 -3.7403 -3.7402 -3.7402 -2.7960 -2.7960 -2.7955 -2.7955 -2.4957 -2.4957 -2.4937 -2.4937 -2.2178 -2.2178 -2.2177 -2.2177 -2.0533 -2.0533 -2.0524 -2.0524 -1.9083 -1.9083 -1.9064 -1.9064 4.1868 4.1868 4.1874 4.1874 4.2693 4.2693 4.2701 4.2701 k = 0.1905-0.0000 0.5350 ( 33060 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8181 -6.8181 -6.8181 -6.8181 -5.9826 -5.9826 -5.9826 -5.9826 -3.7005 -3.7005 -3.7004 -3.7004 -2.7951 -2.7951 -2.7946 -2.7946 -2.5001 -2.5001 -2.4980 -2.4980 -2.2292 -2.2292 -2.2291 -2.2291 -2.0650 -2.0650 -2.0640 -2.0640 -1.9113 -1.9113 -1.9091 -1.9091 4.1810 4.1810 4.1816 4.1816 4.2679 4.2679 4.2686 4.2686 k = 0.2143-0.0000 0.5350 ( 33056 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.8058 -6.8058 -6.8058 -6.8058 -6.0097 -6.0097 -6.0097 -6.0097 -3.6572 -3.6572 -3.6571 -3.6571 -2.7949 -2.7949 -2.7942 -2.7942 -2.5052 -2.5052 -2.5030 -2.5030 -2.2427 -2.2427 -2.2424 -2.2424 -2.0770 -2.0770 -2.0762 -2.0762 -1.9141 -1.9141 -1.9114 -1.9114 4.1730 4.1730 4.1736 4.1736 4.2689 4.2689 4.2697 4.2697 k = 0.2381-0.0000 0.5350 ( 33072 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7924 -6.7924 -6.7924 -6.7924 -6.0381 -6.0381 -6.0380 -6.0380 -3.6108 -3.6108 -3.6107 -3.6107 -2.7956 -2.7956 -2.7949 -2.7949 -2.5109 -2.5109 -2.5088 -2.5088 -2.2581 -2.2581 -2.2575 -2.2575 -2.0889 -2.0889 -2.0881 -2.0881 -1.9166 -1.9166 -1.9134 -1.9134 4.1635 4.1635 4.1640 4.1640 4.2715 4.2715 4.2723 4.2723 k = 0.2619-0.0000 0.5350 ( 33084 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7779 -6.7779 -6.7779 -6.7779 -6.0673 -6.0673 -6.0672 -6.0672 -3.5619 -3.5619 -3.5618 -3.5618 -2.7979 -2.7979 -2.7970 -2.7970 -2.5171 -2.5171 -2.5151 -2.5151 -2.2752 -2.2752 -2.2742 -2.2742 -2.1002 -2.1002 -2.0995 -2.0995 -1.9187 -1.9187 -1.9151 -1.9151 4.1531 4.1531 4.1535 4.1535 4.2743 4.2743 4.2751 4.2751 k = 0.2857-0.0000 0.5350 ( 33090 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7626 -6.7626 -6.7625 -6.7625 -6.0968 -6.0968 -6.0967 -6.0967 -3.5109 -3.5109 -3.5108 -3.5108 -2.8022 -2.8022 -2.8012 -2.8012 -2.5237 -2.5237 -2.5220 -2.5220 -2.2937 -2.2937 -2.2922 -2.2922 -2.1105 -2.1105 -2.1100 -2.1100 -1.9206 -1.9206 -1.9165 -1.9165 4.1424 4.1424 4.1427 4.1427 4.2763 4.2763 4.2771 4.2771 k = 0.3095-0.0000 0.5350 ( 33082 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7466 -6.7466 -6.7466 -6.7466 -6.1261 -6.1261 -6.1260 -6.1260 -3.4583 -3.4583 -3.4582 -3.4582 -2.8092 -2.8092 -2.8082 -2.8082 -2.5304 -2.5304 -2.5291 -2.5291 -2.3128 -2.3128 -2.3108 -2.3108 -2.1197 -2.1197 -2.1193 -2.1193 -1.9222 -1.9222 -1.9177 -1.9177 4.1320 4.1320 4.1323 4.1323 4.2767 4.2767 4.2776 4.2776 k = 0.3333-0.0000 0.5350 ( 33076 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7302 -6.7302 -6.7302 -6.7302 -6.1548 -6.1548 -6.1547 -6.1547 -3.4046 -3.4046 -3.4044 -3.4044 -2.8199 -2.8199 -2.8188 -2.8188 -2.5370 -2.5370 -2.5361 -2.5361 -2.3318 -2.3318 -2.3293 -2.3293 -2.1276 -2.1276 -2.1273 -2.1273 -1.9236 -1.9236 -1.9187 -1.9187 4.1221 4.1221 4.1224 4.1224 4.2753 4.2753 4.2764 4.2764 k = 0.3571-0.0000 0.5350 ( 33076 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.7139 -6.7139 -6.7139 -6.7139 -6.1822 -6.1822 -6.1820 -6.1820 -3.3502 -3.3502 -3.3500 -3.3500 -2.8348 -2.8348 -2.8338 -2.8338 -2.5431 -2.5431 -2.5426 -2.5426 -2.3500 -2.3500 -2.3469 -2.3469 -2.1343 -2.1343 -2.1341 -2.1341 -1.9247 -1.9247 -1.9196 -1.9196 4.1131 4.1131 4.1134 4.1134 4.2724 4.2724 4.2735 4.2735 k = 0.3810-0.0000 0.5350 ( 33076 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6981 -6.6981 -6.6981 -6.6981 -6.2076 -6.2076 -6.2075 -6.2075 -3.2957 -3.2957 -3.2955 -3.2955 -2.8548 -2.8548 -2.8537 -2.8537 -2.5483 -2.5483 -2.5483 -2.5483 -2.3666 -2.3666 -2.3630 -2.3630 -2.1398 -2.1398 -2.1397 -2.1397 -1.9257 -1.9257 -1.9202 -1.9202 4.1052 4.1052 4.1054 4.1054 4.2684 4.2684 4.2696 4.2696 k = 0.4048-0.0000 0.5350 ( 33078 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6834 -6.6834 -6.6834 -6.6834 -6.2305 -6.2305 -6.2303 -6.2303 -3.2416 -3.2416 -3.2413 -3.2413 -2.8800 -2.8800 -2.8790 -2.8790 -2.5528 -2.5528 -2.5524 -2.5524 -2.3810 -2.3810 -2.3768 -2.3768 -2.1443 -2.1443 -2.1441 -2.1441 -1.9265 -1.9265 -1.9208 -1.9208 4.0986 4.0986 4.0987 4.0987 4.2640 4.2640 4.2652 4.2652 k = 0.4286-0.0000 0.5350 ( 33074 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6705 -6.6705 -6.6705 -6.6705 -6.2497 -6.2497 -6.2496 -6.2496 -3.1885 -3.1885 -3.1882 -3.1882 -2.9104 -2.9104 -2.9094 -2.9094 -2.5560 -2.5560 -2.5553 -2.5553 -2.3926 -2.3926 -2.3880 -2.3880 -2.1477 -2.1477 -2.1474 -2.1474 -1.9271 -1.9271 -1.9212 -1.9212 4.0933 4.0933 4.0934 4.0934 4.2599 4.2599 4.2611 4.2611 k = 0.4524-0.0000 0.5350 ( 33076 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6604 -6.6604 -6.6604 -6.6604 -6.2645 -6.2645 -6.2644 -6.2644 -3.1375 -3.1375 -3.1371 -3.1371 -2.9452 -2.9452 -2.9444 -2.9444 -2.5582 -2.5582 -2.5572 -2.5572 -2.4012 -2.4012 -2.3963 -2.3963 -2.1501 -2.1501 -2.1497 -2.1497 -1.9276 -1.9276 -1.9215 -1.9215 4.0894 4.0894 4.0896 4.0896 4.2565 4.2565 4.2578 4.2578 k = 0.4762-0.0000 0.5350 ( 33052 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6539 -6.6539 -6.6539 -6.6539 -6.2738 -6.2738 -6.2737 -6.2737 -3.0906 -3.0906 -3.0903 -3.0903 -2.9823 -2.9823 -2.9816 -2.9816 -2.5593 -2.5593 -2.5582 -2.5582 -2.4064 -2.4064 -2.4013 -2.4013 -2.1515 -2.1515 -2.1511 -2.1511 -1.9278 -1.9278 -1.9217 -1.9217 4.0871 4.0871 4.0873 4.0873 4.2543 4.2543 4.2557 4.2557 k = 0.5000-0.0000 0.5350 ( 33040 PWs) bands (ev): -45.4928 -45.4928 -45.4928 -45.4928 -45.4907 -45.4907 -45.4907 -45.4907 -6.6516 -6.6516 -6.6516 -6.6516 -6.2770 -6.2770 -6.2769 -6.2769 -3.0629 -3.0629 -3.0626 -3.0626 -3.0068 -3.0068 -3.0060 -3.0060 -2.5597 -2.5597 -2.5585 -2.5585 -2.4082 -2.4082 -2.4030 -2.4030 -2.1520 -2.1520 -2.1516 -2.1516 -1.9279 -1.9279 -1.9217 -1.9217 4.0863 4.0863 4.0865 4.0865 4.2536 4.2536 4.2549 4.2549 Writing output data file LiAlH4.save init_run : 1.90s CPU 1.26s WALL ( 1 calls) electrons : 611.64s CPU 486.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.17s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 611.64s CPU 486.03s 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 0.01s WALL ( 1 calls) newd : 0.43s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 1.14s CPU 0.86s WALL ( 224 calls) cegterg : 465.76s CPU 394.32s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 427.22s CPU 307.17s WALL ( 5971 calls) s_psi : 26.09s CPU 24.43s WALL ( 5971 calls) g_psi : 1.22s CPU 1.25s WALL ( 5355 calls) cdiaghg : 44.18s CPU 44.00s WALL ( 5579 calls) cegterg:over : 26.00s CPU 26.09s WALL ( 5355 calls) cegterg:upda : 34.36s CPU 34.36s WALL ( 5355 calls) cegterg:last : 15.47s CPU 15.47s WALL ( 976 calls) cdiaghg:chol : 2.64s CPU 2.59s WALL ( 5579 calls) cdiaghg:inve : 1.61s CPU 1.65s WALL ( 5579 calls) cdiaghg:para : 2.24s CPU 2.52s WALL ( 11158 calls) Called by h_psi: h_psi:vloc : 370.57s CPU 255.96s WALL ( 5971 calls) h_psi:vnl : 54.28s CPU 48.88s WALL ( 5971 calls) add_vuspsi : 26.07s CPU 23.86s WALL ( 5971 calls) General routines calbec : 28.15s CPU 25.00s WALL ( 5971 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 352.87s CPU 240.65s WALL ( 591016 calls) davcio : 0.65s CPU 3.20s WALL ( 448 calls) Parallel routines fft_scatter : 98.55s CPU 83.96s WALL ( 591031 calls) PWSCF : 11m 1.48s CPU 9m38.45s WALL This run was terminated on: 20:32:59 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=