Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 3:34 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrIr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 26 7 1393 831 133 Max 37 27 8 1401 848 138 Sum 1321 941 281 50319 30221 4901 bravais-lattice index = 14 lattice parameter (alat) = 8.2770 a.u. unit-cell volume = 520.1020 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.277000 celldm(2)= 0.760274 celldm(3)= 1.221461 celldm(4)= 0.156434 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 0.760274 0.000000 ) a(3) = ( 0.000000 0.191079 1.206423 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.315315 -0.208325 ) b(3) = ( 0.000000 0.000000 0.828897 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Zr 4.00 91.22400 Zr( 1.00) Ir 17.00 192.21700 Ir( 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 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_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= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0000000 0.0138149), wk = 0.0030211 k( 3) = ( 0.0000000 0.0000000 0.0276299), wk = 0.0030211 k( 4) = ( 0.0000000 0.0000000 0.0414448), wk = 0.0030211 k( 5) = ( 0.0000000 0.0000000 0.0552598), wk = 0.0030211 k( 6) = ( 0.0000000 0.0000000 0.0690747), wk = 0.0030211 k( 7) = ( 0.0000000 0.0000000 0.0828897), wk = 0.0030211 k( 8) = ( 0.0000000 0.0000000 0.0967046), wk = 0.0030211 k( 9) = ( 0.0000000 0.0000000 0.1105196), wk = 0.0030211 k( 10) = ( 0.0000000 0.0000000 0.1243345), wk = 0.0030211 k( 11) = ( 0.0000000 0.0000000 0.1381494), wk = 0.0030211 k( 12) = ( 0.0000000 0.0000000 0.1519644), wk = 0.0030211 k( 13) = ( 0.0000000 0.0000000 0.1657793), wk = 0.0030211 k( 14) = ( 0.0000000 0.0000000 0.1795943), wk = 0.0030211 k( 15) = ( 0.0000000 0.0000000 0.1934092), wk = 0.0030211 k( 16) = ( 0.0000000 0.0000000 0.2072242), wk = 0.0030211 k( 17) = ( 0.0000000 0.0000000 0.2210391), wk = 0.0030211 k( 18) = ( 0.0000000 0.0000000 0.2348541), wk = 0.0030211 k( 19) = ( 0.0000000 0.0000000 0.2486690), wk = 0.0030211 k( 20) = ( 0.0000000 0.0000000 0.2624840), wk = 0.0030211 k( 21) = ( 0.0000000 0.0000000 0.2762989), wk = 0.0030211 k( 22) = ( 0.0000000 0.0000000 0.2901138), wk = 0.0030211 k( 23) = ( 0.0000000 0.0000000 0.3039288), wk = 0.0030211 k( 24) = ( 0.0000000 0.0000000 0.3177437), wk = 0.0030211 k( 25) = ( 0.0000000 0.0000000 0.3315587), wk = 0.0030211 k( 26) = ( 0.0000000 0.0000000 0.3453736), wk = 0.0030211 k( 27) = ( 0.0000000 0.0000000 0.3591886), wk = 0.0030211 k( 28) = ( 0.0000000 0.0000000 0.3730035), wk = 0.0030211 k( 29) = ( 0.0000000 0.0000000 0.3868185), wk = 0.0030211 k( 30) = ( 0.0000000 0.0000000 0.4006334), wk = 0.0030211 k( 31) = ( 0.0000000 0.0000000 0.4144483), wk = 0.0030211 k( 32) = ( 0.0000000 0.0000000 0.4144483), wk = 0.0030211 k( 33) = ( 0.0000000 0.0138298 0.4144483), wk = 0.0030211 k( 34) = ( 0.0000000 0.0276597 0.4144483), wk = 0.0030211 k( 35) = ( 0.0000000 0.0414895 0.4144483), wk = 0.0030211 k( 36) = ( 0.0000000 0.0553194 0.4144483), wk = 0.0030211 k( 37) = ( 0.0000000 0.0691492 0.4144483), wk = 0.0030211 k( 38) = ( 0.0000000 0.0829791 0.4144483), wk = 0.0030211 k( 39) = ( 0.0000000 0.0968089 0.4144483), wk = 0.0030211 k( 40) = ( 0.0000000 0.1106388 0.4144483), wk = 0.0030211 k( 41) = ( 0.0000000 0.1244686 0.4144483), wk = 0.0030211 k( 42) = ( 0.0000000 0.1382985 0.4144483), wk = 0.0030211 k( 43) = ( 0.0000000 0.1521283 0.4144483), wk = 0.0030211 k( 44) = ( 0.0000000 0.1659582 0.4144483), wk = 0.0030211 k( 45) = ( 0.0000000 0.1797880 0.4144483), wk = 0.0030211 k( 46) = ( 0.0000000 0.1936178 0.4144483), wk = 0.0030211 k( 47) = ( 0.0000000 0.2074477 0.4144483), wk = 0.0030211 k( 48) = ( 0.0000000 0.2212775 0.4144483), wk = 0.0030211 k( 49) = ( 0.0000000 0.2351074 0.4144483), wk = 0.0030211 k( 50) = ( 0.0000000 0.2489372 0.4144483), wk = 0.0030211 k( 51) = ( 0.0000000 0.2627671 0.4144483), wk = 0.0030211 k( 52) = ( 0.0000000 0.2765969 0.4144483), wk = 0.0030211 k( 53) = ( 0.0000000 0.2904268 0.4144483), wk = 0.0030211 k( 54) = ( 0.0000000 0.3042566 0.4144483), wk = 0.0030211 k( 55) = ( 0.0000000 0.3180865 0.4144483), wk = 0.0030211 k( 56) = ( 0.0000000 0.3319163 0.4144483), wk = 0.0030211 k( 57) = ( 0.0000000 0.3457462 0.4144483), wk = 0.0030211 k( 58) = ( 0.0000000 0.3595760 0.4144483), wk = 0.0030211 k( 59) = ( 0.0000000 0.3734059 0.4144483), wk = 0.0030211 k( 60) = ( 0.0000000 0.3872357 0.4144483), wk = 0.0030211 k( 61) = ( 0.0000000 0.4010656 0.4144483), wk = 0.0030211 k( 62) = ( 0.0000000 0.4148954 0.4144483), wk = 0.0030211 k( 63) = ( 0.0000000 0.4287252 0.4144483), wk = 0.0030211 k( 64) = ( 0.0000000 0.4425551 0.4144483), wk = 0.0030211 k( 65) = ( 0.0000000 0.4563849 0.4144483), wk = 0.0030211 k( 66) = ( 0.0000000 0.4702148 0.4144483), wk = 0.0030211 k( 67) = ( 0.0000000 0.4840446 0.4144483), wk = 0.0030211 k( 68) = ( 0.0000000 0.4978745 0.4144483), wk = 0.0030211 k( 69) = ( 0.0000000 0.5117043 0.4144483), wk = 0.0030211 k( 70) = ( 0.0000000 0.5255342 0.4144483), wk = 0.0030211 k( 71) = ( 0.0000000 0.5393640 0.4144483), wk = 0.0030211 k( 72) = ( 0.0000000 0.5531939 0.4144483), wk = 0.0030211 k( 73) = ( 0.0000000 0.5670237 0.4144483), wk = 0.0030211 k( 74) = ( 0.0000000 0.5808536 0.4144483), wk = 0.0030211 k( 75) = ( 0.0000000 0.5946834 0.4144483), wk = 0.0030211 k( 76) = ( 0.0000000 0.6085132 0.4144483), wk = 0.0030211 k( 77) = ( 0.0000000 0.6085132 0.4144483), wk = 0.0030211 k( 78) = ( 0.0000000 0.6139737 0.4028747), wk = 0.0030211 k( 79) = ( 0.0000000 0.6194342 0.3913011), wk = 0.0030211 k( 80) = ( 0.0000000 0.6248947 0.3797274), wk = 0.0030211 k( 81) = ( 0.0000000 0.6303552 0.3681538), wk = 0.0030211 k( 82) = ( 0.0000000 0.6358157 0.3565802), wk = 0.0030211 k( 83) = ( 0.0000000 0.6412762 0.3450065), wk = 0.0030211 k( 84) = ( 0.0000000 0.6467367 0.3334329), wk = 0.0030211 k( 85) = ( 0.0000000 0.6521972 0.3218592), wk = 0.0030211 k( 86) = ( 0.0000000 0.6576577 0.3102856), wk = 0.0030211 k( 87) = ( 0.0000000 0.6576577 0.3102856), wk = 0.0030211 k( 88) = ( 0.0138889 0.6576577 0.3102856), wk = 0.0030211 k( 89) = ( 0.0277778 0.6576577 0.3102856), wk = 0.0030211 k( 90) = ( 0.0416667 0.6576577 0.3102856), wk = 0.0030211 k( 91) = ( 0.0555556 0.6576577 0.3102856), wk = 0.0030211 k( 92) = ( 0.0694444 0.6576577 0.3102856), wk = 0.0030211 k( 93) = ( 0.0833333 0.6576577 0.3102856), wk = 0.0030211 k( 94) = ( 0.0972222 0.6576577 0.3102856), wk = 0.0030211 k( 95) = ( 0.1111111 0.6576577 0.3102856), wk = 0.0030211 k( 96) = ( 0.1250000 0.6576577 0.3102856), wk = 0.0030211 k( 97) = ( 0.1388889 0.6576577 0.3102856), wk = 0.0030211 k( 98) = ( 0.1527778 0.6576577 0.3102856), wk = 0.0030211 k( 99) = ( 0.1666667 0.6576577 0.3102856), wk = 0.0030211 k( 100) = ( 0.1805556 0.6576577 0.3102856), wk = 0.0030211 k( 101) = ( 0.1944444 0.6576577 0.3102856), wk = 0.0030211 k( 102) = ( 0.2083333 0.6576577 0.3102856), wk = 0.0030211 k( 103) = ( 0.2222222 0.6576577 0.3102856), wk = 0.0030211 k( 104) = ( 0.2361111 0.6576577 0.3102856), wk = 0.0030211 k( 105) = ( 0.2500000 0.6576577 0.3102856), wk = 0.0030211 k( 106) = ( 0.2638889 0.6576577 0.3102856), wk = 0.0030211 k( 107) = ( 0.2777778 0.6576577 0.3102856), wk = 0.0030211 k( 108) = ( 0.2916667 0.6576577 0.3102856), wk = 0.0030211 k( 109) = ( 0.3055556 0.6576577 0.3102856), wk = 0.0030211 k( 110) = ( 0.3194444 0.6576577 0.3102856), wk = 0.0030211 k( 111) = ( 0.3333333 0.6576577 0.3102856), wk = 0.0030211 k( 112) = ( 0.3472222 0.6576577 0.3102856), wk = 0.0030211 k( 113) = ( 0.3611111 0.6576577 0.3102856), wk = 0.0030211 k( 114) = ( 0.3750000 0.6576577 0.3102856), wk = 0.0030211 k( 115) = ( 0.3888889 0.6576577 0.3102856), wk = 0.0030211 k( 116) = ( 0.4027778 0.6576577 0.3102856), wk = 0.0030211 k( 117) = ( 0.4166667 0.6576577 0.3102856), wk = 0.0030211 k( 118) = ( 0.4305556 0.6576577 0.3102856), wk = 0.0030211 k( 119) = ( 0.4444444 0.6576577 0.3102856), wk = 0.0030211 k( 120) = ( 0.4583333 0.6576577 0.3102856), wk = 0.0030211 k( 121) = ( 0.4722222 0.6576577 0.3102856), wk = 0.0030211 k( 122) = ( 0.4861111 0.6576577 0.3102856), wk = 0.0030211 k( 123) = ( 0.5000000 0.6576577 0.3102856), wk = 0.0030211 k( 124) = ( 0.5000000 0.6576577 0.3102856), wk = 0.0030211 k( 125) = ( 0.5000000 0.6631181 0.2987120), wk = 0.0030211 k( 126) = ( 0.5000000 0.6685786 0.2871383), wk = 0.0030211 k( 127) = ( 0.5000000 0.6740391 0.2755647), wk = 0.0030211 k( 128) = ( 0.5000000 0.6794996 0.2639910), wk = 0.0030211 k( 129) = ( 0.5000000 0.6849601 0.2524174), wk = 0.0030211 k( 130) = ( 0.5000000 0.6904206 0.2408438), wk = 0.0030211 k( 131) = ( 0.5000000 0.6958811 0.2292701), wk = 0.0030211 k( 132) = ( 0.5000000 0.7013416 0.2176965), wk = 0.0030211 k( 133) = ( 0.5000000 0.7068021 0.2061229), wk = 0.0030211 k( 134) = ( 0.5000000 0.7068021 0.2061229), wk = 0.0030211 k( 135) = ( 0.5000000 0.7046654 0.1926322), wk = 0.0030211 k( 136) = ( 0.5000000 0.7025286 0.1791415), wk = 0.0030211 k( 137) = ( 0.5000000 0.7003919 0.1656508), wk = 0.0030211 k( 138) = ( 0.5000000 0.6982552 0.1521602), wk = 0.0030211 k( 139) = ( 0.5000000 0.6961185 0.1386695), wk = 0.0030211 k( 140) = ( 0.5000000 0.6939818 0.1251788), wk = 0.0030211 k( 141) = ( 0.5000000 0.6918451 0.1116881), wk = 0.0030211 k( 142) = ( 0.5000000 0.6897084 0.0981974), wk = 0.0030211 k( 143) = ( 0.5000000 0.6875717 0.0847068), wk = 0.0030211 k( 144) = ( 0.5000000 0.6854349 0.0712161), wk = 0.0030211 k( 145) = ( 0.5000000 0.6832982 0.0577254), wk = 0.0030211 k( 146) = ( 0.5000000 0.6811615 0.0442347), wk = 0.0030211 k( 147) = ( 0.5000000 0.6790248 0.0307440), wk = 0.0030211 k( 148) = ( 0.5000000 0.6768881 0.0172534), wk = 0.0030211 k( 149) = ( 0.5000000 0.6747514 0.0037627), wk = 0.0030211 k( 150) = ( 0.5000000 0.6726146 -0.0097280), wk = 0.0030211 k( 151) = ( 0.5000000 0.6704779 -0.0232187), wk = 0.0030211 k( 152) = ( 0.5000000 0.6683412 -0.0367094), wk = 0.0030211 k( 153) = ( 0.5000000 0.6662045 -0.0502000), wk = 0.0030211 k( 154) = ( 0.5000000 0.6640678 -0.0636907), wk = 0.0030211 k( 155) = ( 0.5000000 0.6619311 -0.0771814), wk = 0.0030211 k( 156) = ( 0.5000000 0.6597944 -0.0906721), wk = 0.0030211 k( 157) = ( 0.5000000 0.6576577 -0.1041627), wk = 0.0030211 k( 158) = ( 0.5000000 0.6576577 -0.1041627), wk = 0.0030211 k( 159) = ( 0.4861111 0.6576577 -0.1041627), wk = 0.0030211 k( 160) = ( 0.4722222 0.6576577 -0.1041627), wk = 0.0030211 k( 161) = ( 0.4583333 0.6576577 -0.1041627), wk = 0.0030211 k( 162) = ( 0.4444444 0.6576577 -0.1041627), wk = 0.0030211 k( 163) = ( 0.4305556 0.6576577 -0.1041627), wk = 0.0030211 k( 164) = ( 0.4166667 0.6576577 -0.1041627), wk = 0.0030211 k( 165) = ( 0.4027778 0.6576577 -0.1041627), wk = 0.0030211 k( 166) = ( 0.3888889 0.6576577 -0.1041627), wk = 0.0030211 k( 167) = ( 0.3750000 0.6576577 -0.1041627), wk = 0.0030211 k( 168) = ( 0.3611111 0.6576577 -0.1041627), wk = 0.0030211 k( 169) = ( 0.3472222 0.6576577 -0.1041627), wk = 0.0030211 k( 170) = ( 0.3333333 0.6576577 -0.1041627), wk = 0.0030211 k( 171) = ( 0.3194444 0.6576577 -0.1041627), wk = 0.0030211 k( 172) = ( 0.3055556 0.6576577 -0.1041627), wk = 0.0030211 k( 173) = ( 0.2916667 0.6576577 -0.1041627), wk = 0.0030211 k( 174) = ( 0.2777778 0.6576577 -0.1041627), wk = 0.0030211 k( 175) = ( 0.2638889 0.6576577 -0.1041627), wk = 0.0030211 k( 176) = ( 0.2500000 0.6576577 -0.1041627), wk = 0.0030211 k( 177) = ( 0.2361111 0.6576577 -0.1041627), wk = 0.0030211 k( 178) = ( 0.2222222 0.6576577 -0.1041627), wk = 0.0030211 k( 179) = ( 0.2083333 0.6576577 -0.1041627), wk = 0.0030211 k( 180) = ( 0.1944444 0.6576577 -0.1041627), wk = 0.0030211 k( 181) = ( 0.1805556 0.6576577 -0.1041627), wk = 0.0030211 k( 182) = ( 0.1666667 0.6576577 -0.1041627), wk = 0.0030211 k( 183) = ( 0.1527778 0.6576577 -0.1041627), wk = 0.0030211 k( 184) = ( 0.1388889 0.6576577 -0.1041627), wk = 0.0030211 k( 185) = ( 0.1250000 0.6576577 -0.1041627), wk = 0.0030211 k( 186) = ( 0.1111111 0.6576577 -0.1041627), wk = 0.0030211 k( 187) = ( 0.0972222 0.6576577 -0.1041627), wk = 0.0030211 k( 188) = ( 0.0833333 0.6576577 -0.1041627), wk = 0.0030211 k( 189) = ( 0.0694444 0.6576577 -0.1041627), wk = 0.0030211 k( 190) = ( 0.0555556 0.6576577 -0.1041627), wk = 0.0030211 k( 191) = ( 0.0416667 0.6576577 -0.1041627), wk = 0.0030211 k( 192) = ( 0.0277778 0.6576577 -0.1041627), wk = 0.0030211 k( 193) = ( 0.0138889 0.6576577 -0.1041627), wk = 0.0030211 k( 194) = ( 0.0000000 0.6576577 -0.1041627), wk = 0.0030211 k( 195) = ( 0.0000000 0.6576577 -0.1041627), wk = 0.0030211 k( 196) = ( 0.0000000 0.6597944 -0.0906721), wk = 0.0030211 k( 197) = ( 0.0000000 0.6619311 -0.0771814), wk = 0.0030211 k( 198) = ( 0.0000000 0.6640678 -0.0636907), wk = 0.0030211 k( 199) = ( 0.0000000 0.6662045 -0.0502000), wk = 0.0030211 k( 200) = ( 0.0000000 0.6683412 -0.0367094), wk = 0.0030211 k( 201) = ( 0.0000000 0.6704779 -0.0232187), wk = 0.0030211 k( 202) = ( 0.0000000 0.6726146 -0.0097280), wk = 0.0030211 k( 203) = ( 0.0000000 0.6747514 0.0037627), wk = 0.0030211 k( 204) = ( 0.0000000 0.6768881 0.0172534), wk = 0.0030211 k( 205) = ( 0.0000000 0.6790248 0.0307440), wk = 0.0030211 k( 206) = ( 0.0000000 0.6811615 0.0442347), wk = 0.0030211 k( 207) = ( 0.0000000 0.6832982 0.0577254), wk = 0.0030211 k( 208) = ( 0.0000000 0.6854349 0.0712161), wk = 0.0030211 k( 209) = ( 0.0000000 0.6875717 0.0847068), wk = 0.0030211 k( 210) = ( 0.0000000 0.6897084 0.0981974), wk = 0.0030211 k( 211) = ( 0.0000000 0.6918451 0.1116881), wk = 0.0030211 k( 212) = ( 0.0000000 0.6939818 0.1251788), wk = 0.0030211 k( 213) = ( 0.0000000 0.6961185 0.1386695), wk = 0.0030211 k( 214) = ( 0.0000000 0.6982552 0.1521602), wk = 0.0030211 k( 215) = ( 0.0000000 0.7003919 0.1656508), wk = 0.0030211 k( 216) = ( 0.0000000 0.7025286 0.1791415), wk = 0.0030211 k( 217) = ( 0.0000000 0.7046654 0.1926322), wk = 0.0030211 k( 218) = ( 0.0000000 0.7068021 0.2061229), wk = 0.0030211 k( 219) = ( 0.5000000 0.6085132 0.4144483), wk = 0.0030211 k( 220) = ( 0.5000000 0.5946834 0.4144483), wk = 0.0030211 k( 221) = ( 0.5000000 0.5808536 0.4144483), wk = 0.0030211 k( 222) = ( 0.5000000 0.5670237 0.4144483), wk = 0.0030211 k( 223) = ( 0.5000000 0.5531939 0.4144483), wk = 0.0030211 k( 224) = ( 0.5000000 0.5393640 0.4144483), wk = 0.0030211 k( 225) = ( 0.5000000 0.5255342 0.4144483), wk = 0.0030211 k( 226) = ( 0.5000000 0.5117043 0.4144483), wk = 0.0030211 k( 227) = ( 0.5000000 0.4978745 0.4144483), wk = 0.0030211 k( 228) = ( 0.5000000 0.4840446 0.4144483), wk = 0.0030211 k( 229) = ( 0.5000000 0.4702148 0.4144483), wk = 0.0030211 k( 230) = ( 0.5000000 0.4563849 0.4144483), wk = 0.0030211 k( 231) = ( 0.5000000 0.4425551 0.4144483), wk = 0.0030211 k( 232) = ( 0.5000000 0.4287252 0.4144483), wk = 0.0030211 k( 233) = ( 0.5000000 0.4148954 0.4144483), wk = 0.0030211 k( 234) = ( 0.5000000 0.4010656 0.4144483), wk = 0.0030211 k( 235) = ( 0.5000000 0.3872357 0.4144483), wk = 0.0030211 k( 236) = ( 0.5000000 0.3734059 0.4144483), wk = 0.0030211 k( 237) = ( 0.5000000 0.3595760 0.4144483), wk = 0.0030211 k( 238) = ( 0.5000000 0.3457462 0.4144483), wk = 0.0030211 k( 239) = ( 0.5000000 0.3319163 0.4144483), wk = 0.0030211 k( 240) = ( 0.5000000 0.3180865 0.4144483), wk = 0.0030211 k( 241) = ( 0.5000000 0.3042566 0.4144483), wk = 0.0030211 k( 242) = ( 0.5000000 0.2904268 0.4144483), wk = 0.0030211 k( 243) = ( 0.5000000 0.2765969 0.4144483), wk = 0.0030211 k( 244) = ( 0.5000000 0.2627671 0.4144483), wk = 0.0030211 k( 245) = ( 0.5000000 0.2489372 0.4144483), wk = 0.0030211 k( 246) = ( 0.5000000 0.2351074 0.4144483), wk = 0.0030211 k( 247) = ( 0.5000000 0.2212775 0.4144483), wk = 0.0030211 k( 248) = ( 0.5000000 0.2074477 0.4144483), wk = 0.0030211 k( 249) = ( 0.5000000 0.1936178 0.4144483), wk = 0.0030211 k( 250) = ( 0.5000000 0.1797880 0.4144483), wk = 0.0030211 k( 251) = ( 0.5000000 0.1659582 0.4144483), wk = 0.0030211 k( 252) = ( 0.5000000 0.1521283 0.4144483), wk = 0.0030211 k( 253) = ( 0.5000000 0.1382985 0.4144483), wk = 0.0030211 k( 254) = ( 0.5000000 0.1244686 0.4144483), wk = 0.0030211 k( 255) = ( 0.5000000 0.1106388 0.4144483), wk = 0.0030211 k( 256) = ( 0.5000000 0.0968089 0.4144483), wk = 0.0030211 k( 257) = ( 0.5000000 0.0829791 0.4144483), wk = 0.0030211 k( 258) = ( 0.5000000 0.0691492 0.4144483), wk = 0.0030211 k( 259) = ( 0.5000000 0.0553194 0.4144483), wk = 0.0030211 k( 260) = ( 0.5000000 0.0414895 0.4144483), wk = 0.0030211 k( 261) = ( 0.5000000 0.0276597 0.4144483), wk = 0.0030211 k( 262) = ( 0.5000000 0.0138298 0.4144483), wk = 0.0030211 k( 263) = ( 0.5000000 -0.0000000 0.4144483), wk = 0.0030211 k( 264) = ( 0.5000000 -0.0000000 0.4144483), wk = 0.0030211 k( 265) = ( 0.5000000 -0.0000000 0.4006334), wk = 0.0030211 k( 266) = ( 0.5000000 -0.0000000 0.3868185), wk = 0.0030211 k( 267) = ( 0.5000000 -0.0000000 0.3730035), wk = 0.0030211 k( 268) = ( 0.5000000 -0.0000000 0.3591886), wk = 0.0030211 k( 269) = ( 0.5000000 -0.0000000 0.3453736), wk = 0.0030211 k( 270) = ( 0.5000000 -0.0000000 0.3315587), wk = 0.0030211 k( 271) = ( 0.5000000 -0.0000000 0.3177437), wk = 0.0030211 k( 272) = ( 0.5000000 -0.0000000 0.3039288), wk = 0.0030211 k( 273) = ( 0.5000000 -0.0000000 0.2901138), wk = 0.0030211 k( 274) = ( 0.5000000 -0.0000000 0.2762989), wk = 0.0030211 k( 275) = ( 0.5000000 -0.0000000 0.2624840), wk = 0.0030211 k( 276) = ( 0.5000000 -0.0000000 0.2486690), wk = 0.0030211 k( 277) = ( 0.5000000 -0.0000000 0.2348541), wk = 0.0030211 k( 278) = ( 0.5000000 -0.0000000 0.2210391), wk = 0.0030211 k( 279) = ( 0.5000000 -0.0000000 0.2072242), wk = 0.0030211 k( 280) = ( 0.5000000 -0.0000000 0.1934092), wk = 0.0030211 k( 281) = ( 0.5000000 -0.0000000 0.1795943), wk = 0.0030211 k( 282) = ( 0.5000000 -0.0000000 0.1657793), wk = 0.0030211 k( 283) = ( 0.5000000 -0.0000000 0.1519644), wk = 0.0030211 k( 284) = ( 0.5000000 -0.0000000 0.1381494), wk = 0.0030211 k( 285) = ( 0.5000000 -0.0000000 0.1243345), wk = 0.0030211 k( 286) = ( 0.5000000 -0.0000000 0.1105196), wk = 0.0030211 k( 287) = ( 0.5000000 -0.0000000 0.0967046), wk = 0.0030211 k( 288) = ( 0.5000000 -0.0000000 0.0828897), wk = 0.0030211 k( 289) = ( 0.5000000 -0.0000000 0.0690747), wk = 0.0030211 k( 290) = ( 0.5000000 -0.0000000 0.0552598), wk = 0.0030211 k( 291) = ( 0.5000000 -0.0000000 0.0414448), wk = 0.0030211 k( 292) = ( 0.5000000 -0.0000000 0.0276299), wk = 0.0030211 k( 293) = ( 0.5000000 -0.0000000 0.0138149), wk = 0.0030211 k( 294) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030211 k( 295) = ( 0.0000000 0.0000000 0.4144483), wk = 0.0030211 k( 296) = ( 0.0138889 -0.0000000 0.4144483), wk = 0.0030211 k( 297) = ( 0.0277778 -0.0000000 0.4144483), wk = 0.0030211 k( 298) = ( 0.0416667 -0.0000000 0.4144483), wk = 0.0030211 k( 299) = ( 0.0555556 -0.0000000 0.4144483), wk = 0.0030211 k( 300) = ( 0.0694444 -0.0000000 0.4144483), wk = 0.0030211 k( 301) = ( 0.0833333 -0.0000000 0.4144483), wk = 0.0030211 k( 302) = ( 0.0972222 -0.0000000 0.4144483), wk = 0.0030211 k( 303) = ( 0.1111111 -0.0000000 0.4144483), wk = 0.0030211 k( 304) = ( 0.1250000 -0.0000000 0.4144483), wk = 0.0030211 k( 305) = ( 0.1388889 -0.0000000 0.4144483), wk = 0.0030211 k( 306) = ( 0.1527778 -0.0000000 0.4144483), wk = 0.0030211 k( 307) = ( 0.1666667 -0.0000000 0.4144483), wk = 0.0030211 k( 308) = ( 0.1805556 -0.0000000 0.4144483), wk = 0.0030211 k( 309) = ( 0.1944444 -0.0000000 0.4144483), wk = 0.0030211 k( 310) = ( 0.2083333 -0.0000000 0.4144483), wk = 0.0030211 k( 311) = ( 0.2222222 -0.0000000 0.4144483), wk = 0.0030211 k( 312) = ( 0.2361111 -0.0000000 0.4144483), wk = 0.0030211 k( 313) = ( 0.2500000 -0.0000000 0.4144483), wk = 0.0030211 k( 314) = ( 0.2638889 -0.0000000 0.4144483), wk = 0.0030211 k( 315) = ( 0.2777778 -0.0000000 0.4144483), wk = 0.0030211 k( 316) = ( 0.2916667 -0.0000000 0.4144483), wk = 0.0030211 k( 317) = ( 0.3055556 -0.0000000 0.4144483), wk = 0.0030211 k( 318) = ( 0.3194444 -0.0000000 0.4144483), wk = 0.0030211 k( 319) = ( 0.3333333 -0.0000000 0.4144483), wk = 0.0030211 k( 320) = ( 0.3472222 -0.0000000 0.4144483), wk = 0.0030211 k( 321) = ( 0.3611111 -0.0000000 0.4144483), wk = 0.0030211 k( 322) = ( 0.3750000 -0.0000000 0.4144483), wk = 0.0030211 k( 323) = ( 0.3888889 -0.0000000 0.4144483), wk = 0.0030211 k( 324) = ( 0.4027778 -0.0000000 0.4144483), wk = 0.0030211 k( 325) = ( 0.4166667 -0.0000000 0.4144483), wk = 0.0030211 k( 326) = ( 0.4305556 -0.0000000 0.4144483), wk = 0.0030211 k( 327) = ( 0.4444444 -0.0000000 0.4144483), wk = 0.0030211 k( 328) = ( 0.4583333 -0.0000000 0.4144483), wk = 0.0030211 k( 329) = ( 0.4722222 -0.0000000 0.4144483), wk = 0.0030211 k( 330) = ( 0.4861111 -0.0000000 0.4144483), wk = 0.0030211 k( 331) = ( 0.5000000 -0.0000000 0.4144483), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0030211 k( 3) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0030211 k( 4) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030211 k( 5) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0030211 k( 6) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030211 k( 7) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030211 k( 8) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0030211 k( 9) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0030211 k( 10) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030211 k( 11) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030211 k( 12) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0030211 k( 13) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030211 k( 14) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0030211 k( 15) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0030211 k( 16) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030211 k( 17) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0030211 k( 18) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0030211 k( 19) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030211 k( 20) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0030211 k( 21) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030211 k( 22) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030211 k( 23) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0030211 k( 24) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0030211 k( 25) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030211 k( 26) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030211 k( 27) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0030211 k( 28) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030211 k( 29) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0030211 k( 30) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0030211 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 33) = ( 0.0000000 0.0105145 0.5026426), wk = 0.0030211 k( 34) = ( 0.0000000 0.0210289 0.5052852), wk = 0.0030211 k( 35) = ( 0.0000000 0.0315434 0.5079278), wk = 0.0030211 k( 36) = ( 0.0000000 0.0420579 0.5105703), wk = 0.0030211 k( 37) = ( 0.0000000 0.0525724 0.5132129), wk = 0.0030211 k( 38) = ( 0.0000000 0.0630868 0.5158555), wk = 0.0030211 k( 39) = ( 0.0000000 0.0736013 0.5184981), wk = 0.0030211 k( 40) = ( 0.0000000 0.0841158 0.5211407), wk = 0.0030211 k( 41) = ( 0.0000000 0.0946302 0.5237833), wk = 0.0030211 k( 42) = ( 0.0000000 0.1051447 0.5264259), wk = 0.0030211 k( 43) = ( 0.0000000 0.1156592 0.5290685), wk = 0.0030211 k( 44) = ( 0.0000000 0.1261737 0.5317111), wk = 0.0030211 k( 45) = ( 0.0000000 0.1366881 0.5343537), wk = 0.0030211 k( 46) = ( 0.0000000 0.1472026 0.5369962), wk = 0.0030211 k( 47) = ( 0.0000000 0.1577171 0.5396388), wk = 0.0030211 k( 48) = ( 0.0000000 0.1682316 0.5422814), wk = 0.0030211 k( 49) = ( 0.0000000 0.1787460 0.5449240), wk = 0.0030211 k( 50) = ( 0.0000000 0.1892605 0.5475666), wk = 0.0030211 k( 51) = ( 0.0000000 0.1997750 0.5502092), wk = 0.0030211 k( 52) = ( 0.0000000 0.2102894 0.5528518), wk = 0.0030211 k( 53) = ( 0.0000000 0.2208039 0.5554944), wk = 0.0030211 k( 54) = ( 0.0000000 0.2313184 0.5581369), wk = 0.0030211 k( 55) = ( 0.0000000 0.2418329 0.5607795), wk = 0.0030211 k( 56) = ( 0.0000000 0.2523473 0.5634221), wk = 0.0030211 k( 57) = ( 0.0000000 0.2628618 0.5660647), wk = 0.0030211 k( 58) = ( 0.0000000 0.2733763 0.5687073), wk = 0.0030211 k( 59) = ( 0.0000000 0.2838908 0.5713499), wk = 0.0030211 k( 60) = ( 0.0000000 0.2944052 0.5739925), wk = 0.0030211 k( 61) = ( 0.0000000 0.3049197 0.5766350), wk = 0.0030211 k( 62) = ( 0.0000000 0.3154342 0.5792776), wk = 0.0030211 k( 63) = ( 0.0000000 0.3259486 0.5819202), wk = 0.0030211 k( 64) = ( 0.0000000 0.3364631 0.5845628), wk = 0.0030211 k( 65) = ( 0.0000000 0.3469776 0.5872054), wk = 0.0030211 k( 66) = ( 0.0000000 0.3574921 0.5898480), wk = 0.0030211 k( 67) = ( 0.0000000 0.3680065 0.5924906), wk = 0.0030211 k( 68) = ( 0.0000000 0.3785210 0.5951332), wk = 0.0030211 k( 69) = ( 0.0000000 0.3890355 0.5977758), wk = 0.0030211 k( 70) = ( 0.0000000 0.3995499 0.6004183), wk = 0.0030211 k( 71) = ( 0.0000000 0.4100644 0.6030609), wk = 0.0030211 k( 72) = ( 0.0000000 0.4205789 0.6057035), wk = 0.0030211 k( 73) = ( 0.0000000 0.4310934 0.6083461), wk = 0.0030211 k( 74) = ( 0.0000000 0.4416078 0.6109887), wk = 0.0030211 k( 75) = ( 0.0000000 0.4521223 0.6136313), wk = 0.0030211 k( 76) = ( 0.0000000 0.4626368 0.6162739), wk = 0.0030211 k( 77) = ( 0.0000000 0.4626368 0.6162739), wk = 0.0030211 k( 78) = ( 0.0000000 0.4667882 0.6033546), wk = 0.0030211 k( 79) = ( 0.0000000 0.4709397 0.5904352), wk = 0.0030211 k( 80) = ( 0.0000000 0.4750912 0.5775159), wk = 0.0030211 k( 81) = ( 0.0000000 0.4792427 0.5645966), wk = 0.0030211 k( 82) = ( 0.0000000 0.4833941 0.5516773), wk = 0.0030211 k( 83) = ( 0.0000000 0.4875456 0.5387580), wk = 0.0030211 k( 84) = ( 0.0000000 0.4916971 0.5258386), wk = 0.0030211 k( 85) = ( 0.0000000 0.4958485 0.5129193), wk = 0.0030211 k( 86) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030211 k( 87) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030211 k( 88) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0030211 k( 89) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0030211 k( 90) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0030211 k( 91) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0030211 k( 92) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0030211 k( 93) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0030211 k( 94) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0030211 k( 95) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0030211 k( 96) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0030211 k( 97) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0030211 k( 98) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0030211 k( 99) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0030211 k( 100) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0030211 k( 101) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0030211 k( 102) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0030211 k( 103) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0030211 k( 104) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0030211 k( 105) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030211 k( 106) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0030211 k( 107) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0030211 k( 108) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0030211 k( 109) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0030211 k( 110) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0030211 k( 111) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0030211 k( 112) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0030211 k( 113) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0030211 k( 114) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0030211 k( 115) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0030211 k( 116) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0030211 k( 117) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0030211 k( 118) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0030211 k( 119) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0030211 k( 120) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0030211 k( 121) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0030211 k( 122) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0030211 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 125) = ( 0.5000000 0.5041515 0.4870807), wk = 0.0030211 k( 126) = ( 0.5000000 0.5083029 0.4741614), wk = 0.0030211 k( 127) = ( 0.5000000 0.5124544 0.4612420), wk = 0.0030211 k( 128) = ( 0.5000000 0.5166059 0.4483227), wk = 0.0030211 k( 129) = ( 0.5000000 0.5207573 0.4354034), wk = 0.0030211 k( 130) = ( 0.5000000 0.5249088 0.4224841), wk = 0.0030211 k( 131) = ( 0.5000000 0.5290603 0.4095648), wk = 0.0030211 k( 132) = ( 0.5000000 0.5332117 0.3966454), wk = 0.0030211 k( 133) = ( 0.5000000 0.5373632 0.3837261), wk = 0.0030211 k( 134) = ( 0.5000000 0.5373632 0.3837261), wk = 0.0030211 k( 135) = ( 0.5000000 0.5357387 0.3670424), wk = 0.0030211 k( 136) = ( 0.5000000 0.5341142 0.3503586), wk = 0.0030211 k( 137) = ( 0.5000000 0.5324897 0.3336749), wk = 0.0030211 k( 138) = ( 0.5000000 0.5308653 0.3169911), wk = 0.0030211 k( 139) = ( 0.5000000 0.5292408 0.3003074), wk = 0.0030211 k( 140) = ( 0.5000000 0.5276163 0.2836237), wk = 0.0030211 k( 141) = ( 0.5000000 0.5259918 0.2669399), wk = 0.0030211 k( 142) = ( 0.5000000 0.5243673 0.2502562), wk = 0.0030211 k( 143) = ( 0.5000000 0.5227428 0.2335724), wk = 0.0030211 k( 144) = ( 0.5000000 0.5211183 0.2168887), wk = 0.0030211 k( 145) = ( 0.5000000 0.5194939 0.2002049), wk = 0.0030211 k( 146) = ( 0.5000000 0.5178694 0.1835212), wk = 0.0030211 k( 147) = ( 0.5000000 0.5162449 0.1668374), wk = 0.0030211 k( 148) = ( 0.5000000 0.5146204 0.1501537), wk = 0.0030211 k( 149) = ( 0.5000000 0.5129959 0.1334700), wk = 0.0030211 k( 150) = ( 0.5000000 0.5113714 0.1167862), wk = 0.0030211 k( 151) = ( 0.5000000 0.5097469 0.1001025), wk = 0.0030211 k( 152) = ( 0.5000000 0.5081224 0.0834187), wk = 0.0030211 k( 153) = ( 0.5000000 0.5064979 0.0667350), wk = 0.0030211 k( 154) = ( 0.5000000 0.5048735 0.0500512), wk = 0.0030211 k( 155) = ( 0.5000000 0.5032490 0.0333675), wk = 0.0030211 k( 156) = ( 0.5000000 0.5016245 0.0166837), wk = 0.0030211 k( 157) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 158) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 159) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0030211 k( 160) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0030211 k( 161) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0030211 k( 162) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0030211 k( 163) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0030211 k( 164) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030211 k( 165) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0030211 k( 166) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0030211 k( 167) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0030211 k( 168) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0030211 k( 169) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0030211 k( 170) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030211 k( 171) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0030211 k( 172) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0030211 k( 173) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0030211 k( 174) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0030211 k( 175) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0030211 k( 176) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030211 k( 177) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0030211 k( 178) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0030211 k( 179) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0030211 k( 180) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0030211 k( 181) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0030211 k( 182) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030211 k( 183) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0030211 k( 184) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0030211 k( 185) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0030211 k( 186) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0030211 k( 187) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0030211 k( 188) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030211 k( 189) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0030211 k( 190) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0030211 k( 191) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0030211 k( 192) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0030211 k( 193) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0030211 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030211 k( 196) = ( 0.0000000 0.5016245 0.0166837), wk = 0.0030211 k( 197) = ( 0.0000000 0.5032490 0.0333675), wk = 0.0030211 k( 198) = ( 0.0000000 0.5048735 0.0500512), wk = 0.0030211 k( 199) = ( 0.0000000 0.5064979 0.0667350), wk = 0.0030211 k( 200) = ( 0.0000000 0.5081224 0.0834187), wk = 0.0030211 k( 201) = ( 0.0000000 0.5097469 0.1001025), wk = 0.0030211 k( 202) = ( 0.0000000 0.5113714 0.1167862), wk = 0.0030211 k( 203) = ( 0.0000000 0.5129959 0.1334700), wk = 0.0030211 k( 204) = ( 0.0000000 0.5146204 0.1501537), wk = 0.0030211 k( 205) = ( 0.0000000 0.5162449 0.1668374), wk = 0.0030211 k( 206) = ( 0.0000000 0.5178694 0.1835212), wk = 0.0030211 k( 207) = ( 0.0000000 0.5194939 0.2002049), wk = 0.0030211 k( 208) = ( 0.0000000 0.5211183 0.2168887), wk = 0.0030211 k( 209) = ( 0.0000000 0.5227428 0.2335724), wk = 0.0030211 k( 210) = ( 0.0000000 0.5243673 0.2502562), wk = 0.0030211 k( 211) = ( 0.0000000 0.5259918 0.2669399), wk = 0.0030211 k( 212) = ( 0.0000000 0.5276163 0.2836237), wk = 0.0030211 k( 213) = ( 0.0000000 0.5292408 0.3003074), wk = 0.0030211 k( 214) = ( 0.0000000 0.5308653 0.3169911), wk = 0.0030211 k( 215) = ( 0.0000000 0.5324897 0.3336749), wk = 0.0030211 k( 216) = ( 0.0000000 0.5341142 0.3503586), wk = 0.0030211 k( 217) = ( 0.0000000 0.5357387 0.3670424), wk = 0.0030211 k( 218) = ( 0.0000000 0.5373632 0.3837261), wk = 0.0030211 k( 219) = ( 0.5000000 0.4626368 0.6162739), wk = 0.0030211 k( 220) = ( 0.5000000 0.4521223 0.6136313), wk = 0.0030211 k( 221) = ( 0.5000000 0.4416078 0.6109887), wk = 0.0030211 k( 222) = ( 0.5000000 0.4310934 0.6083461), wk = 0.0030211 k( 223) = ( 0.5000000 0.4205789 0.6057035), wk = 0.0030211 k( 224) = ( 0.5000000 0.4100644 0.6030609), wk = 0.0030211 k( 225) = ( 0.5000000 0.3995500 0.6004183), wk = 0.0030211 k( 226) = ( 0.5000000 0.3890355 0.5977758), wk = 0.0030211 k( 227) = ( 0.5000000 0.3785210 0.5951332), wk = 0.0030211 k( 228) = ( 0.5000000 0.3680065 0.5924906), wk = 0.0030211 k( 229) = ( 0.5000000 0.3574921 0.5898480), wk = 0.0030211 k( 230) = ( 0.5000000 0.3469776 0.5872054), wk = 0.0030211 k( 231) = ( 0.5000000 0.3364631 0.5845628), wk = 0.0030211 k( 232) = ( 0.5000000 0.3259486 0.5819202), wk = 0.0030211 k( 233) = ( 0.5000000 0.3154342 0.5792776), wk = 0.0030211 k( 234) = ( 0.5000000 0.3049197 0.5766351), wk = 0.0030211 k( 235) = ( 0.5000000 0.2944052 0.5739925), wk = 0.0030211 k( 236) = ( 0.5000000 0.2838908 0.5713499), wk = 0.0030211 k( 237) = ( 0.5000000 0.2733763 0.5687073), wk = 0.0030211 k( 238) = ( 0.5000000 0.2628618 0.5660647), wk = 0.0030211 k( 239) = ( 0.5000000 0.2523473 0.5634221), wk = 0.0030211 k( 240) = ( 0.5000000 0.2418329 0.5607795), wk = 0.0030211 k( 241) = ( 0.5000000 0.2313184 0.5581369), wk = 0.0030211 k( 242) = ( 0.5000000 0.2208039 0.5554943), wk = 0.0030211 k( 243) = ( 0.5000000 0.2102894 0.5528518), wk = 0.0030211 k( 244) = ( 0.5000000 0.1997750 0.5502092), wk = 0.0030211 k( 245) = ( 0.5000000 0.1892605 0.5475666), wk = 0.0030211 k( 246) = ( 0.5000000 0.1787460 0.5449240), wk = 0.0030211 k( 247) = ( 0.5000000 0.1682316 0.5422814), wk = 0.0030211 k( 248) = ( 0.5000000 0.1577171 0.5396388), wk = 0.0030211 k( 249) = ( 0.5000000 0.1472026 0.5369962), wk = 0.0030211 k( 250) = ( 0.5000000 0.1366881 0.5343536), wk = 0.0030211 k( 251) = ( 0.5000000 0.1261737 0.5317111), wk = 0.0030211 k( 252) = ( 0.5000000 0.1156592 0.5290685), wk = 0.0030211 k( 253) = ( 0.5000000 0.1051447 0.5264259), wk = 0.0030211 k( 254) = ( 0.5000000 0.0946302 0.5237833), wk = 0.0030211 k( 255) = ( 0.5000000 0.0841158 0.5211407), wk = 0.0030211 k( 256) = ( 0.5000000 0.0736013 0.5184981), wk = 0.0030211 k( 257) = ( 0.5000000 0.0630868 0.5158555), wk = 0.0030211 k( 258) = ( 0.5000000 0.0525724 0.5132129), wk = 0.0030211 k( 259) = ( 0.5000000 0.0420579 0.5105703), wk = 0.0030211 k( 260) = ( 0.5000000 0.0315434 0.5079278), wk = 0.0030211 k( 261) = ( 0.5000000 0.0210289 0.5052852), wk = 0.0030211 k( 262) = ( 0.5000000 0.0105145 0.5026426), wk = 0.0030211 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 k( 265) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0030211 k( 266) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0030211 k( 267) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0030211 k( 268) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0030211 k( 269) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030211 k( 270) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0030211 k( 271) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0030211 k( 272) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0030211 k( 273) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0030211 k( 274) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030211 k( 275) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0030211 k( 276) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0030211 k( 277) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0030211 k( 278) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0030211 k( 279) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030211 k( 280) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0030211 k( 281) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0030211 k( 282) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0030211 k( 283) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0030211 k( 284) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030211 k( 285) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0030211 k( 286) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0030211 k( 287) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0030211 k( 288) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0030211 k( 289) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030211 k( 290) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0030211 k( 291) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0030211 k( 292) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0030211 k( 293) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0030211 k( 294) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030211 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 296) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0030211 k( 297) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0030211 k( 298) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0030211 k( 299) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0030211 k( 300) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0030211 k( 301) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0030211 k( 302) = ( 0.0972222 0.0000000 0.5000000), wk = 0.0030211 k( 303) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0030211 k( 304) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0030211 k( 305) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0030211 k( 306) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0030211 k( 307) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0030211 k( 308) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0030211 k( 309) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0030211 k( 310) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0030211 k( 311) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0030211 k( 312) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0030211 k( 313) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030211 k( 314) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0030211 k( 315) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0030211 k( 316) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0030211 k( 317) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0030211 k( 318) = ( 0.3194444 0.0000000 0.5000000), wk = 0.0030211 k( 319) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0030211 k( 320) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0030211 k( 321) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0030211 k( 322) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0030211 k( 323) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0030211 k( 324) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0030211 k( 325) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0030211 k( 326) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0030211 k( 327) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0030211 k( 328) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0030211 k( 329) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0030211 k( 330) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0030211 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030211 Dense grid: 50319 G-vectors FFT dimensions: ( 48, 36, 60) Smooth grid: 30221 G-vectors FFT dimensions: ( 40, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 222, 50) NL pseudopotentials 0.17 Mb ( 111, 100) Each V/rho on FFT grid 0.05 Mb ( 3456) Each G-vector array 0.01 Mb ( 1394) G-vector shells 0.01 Mb ( 1346) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 222, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.15 Mb ( 100, 2, 50) The potential is recalculated from file : ./ZrIr.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.7 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.7 secs Computing kpt #: 29 total cpu time spent up to now is 12.0 secs Computing kpt #: 30 total cpu time spent up to now is 12.3 secs Computing kpt #: 31 total cpu time spent up to now is 12.7 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.7 secs Computing kpt #: 35 total cpu time spent up to now is 14.0 secs Computing kpt #: 36 total cpu time spent up to now is 14.3 secs Computing kpt #: 37 total cpu time spent up to now is 14.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.0 secs Computing kpt #: 39 total cpu time spent up to now is 15.3 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.4 secs Computing kpt #: 43 total cpu time spent up to now is 16.7 secs Computing kpt #: 44 total cpu time spent up to now is 17.1 secs Computing kpt #: 45 total cpu time spent up to now is 17.4 secs Computing kpt #: 46 total cpu time spent up to now is 17.8 secs Computing kpt #: 47 total cpu time spent up to now is 18.1 secs Computing kpt #: 48 total cpu time spent up to now is 18.5 secs Computing kpt #: 49 total cpu time spent up to now is 18.9 secs Computing kpt #: 50 total cpu time spent up to now is 19.3 secs Computing kpt #: 51 total cpu time spent up to now is 19.6 secs Computing kpt #: 52 total cpu time spent up to now is 20.1 secs Computing kpt #: 53 total cpu time spent up to now is 20.5 secs Computing kpt #: 54 total cpu time spent up to now is 20.9 secs Computing kpt #: 55 total cpu time spent up to now is 21.4 secs Computing kpt #: 56 total cpu time spent up to now is 21.8 secs Computing kpt #: 57 total cpu time spent up to now is 22.2 secs Computing kpt #: 58 total cpu time spent up to now is 22.6 secs Computing kpt #: 59 total cpu time spent up to now is 23.0 secs Computing kpt #: 60 total cpu time spent up to now is 23.4 secs Computing kpt #: 61 total cpu time spent up to now is 23.8 secs Computing kpt #: 62 total cpu time spent up to now is 24.2 secs Computing kpt #: 63 total cpu time spent up to now is 24.5 secs Computing kpt #: 64 total cpu time spent up to now is 24.9 secs Computing kpt #: 65 total cpu time spent up to now is 25.2 secs Computing kpt #: 66 total cpu time spent up to now is 25.8 secs Computing kpt #: 67 total cpu time spent up to now is 26.3 secs Computing kpt #: 68 total cpu time spent up to now is 26.9 secs Computing kpt #: 69 total cpu time spent up to now is 27.7 secs Computing kpt #: 70 total cpu time spent up to now is 28.5 secs Computing kpt #: 71 total cpu time spent up to now is 29.2 secs Computing kpt #: 72 total cpu time spent up to now is 29.9 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 31.0 secs Computing kpt #: 75 total cpu time spent up to now is 31.4 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.1 secs Computing kpt #: 78 total cpu time spent up to now is 32.5 secs Computing kpt #: 79 total cpu time spent up to now is 32.9 secs Computing kpt #: 80 total cpu time spent up to now is 33.2 secs Computing kpt #: 81 total cpu time spent up to now is 33.5 secs Computing kpt #: 82 total cpu time spent up to now is 33.9 secs Computing kpt #: 83 total cpu time spent up to now is 34.2 secs Computing kpt #: 84 total cpu time spent up to now is 34.5 secs Computing kpt #: 85 total cpu time spent up to now is 34.9 secs Computing kpt #: 86 total cpu time spent up to now is 35.2 secs Computing kpt #: 87 total cpu time spent up to now is 35.6 secs Computing kpt #: 88 total cpu time spent up to now is 36.0 secs Computing kpt #: 89 total cpu time spent up to now is 36.3 secs Computing kpt #: 90 total cpu time spent up to now is 36.7 secs Computing kpt #: 91 total cpu time spent up to now is 37.0 secs Computing kpt #: 92 total cpu time spent up to now is 37.4 secs Computing kpt #: 93 total cpu time spent up to now is 37.8 secs Computing kpt #: 94 total cpu time spent up to now is 38.3 secs Computing kpt #: 95 total cpu time spent up to now is 38.8 secs Computing kpt #: 96 total cpu time spent up to now is 39.4 secs Computing kpt #: 97 total cpu time spent up to now is 40.1 secs Computing kpt #: 98 total cpu time spent up to now is 40.8 secs Computing kpt #: 99 total cpu time spent up to now is 41.5 secs Computing kpt #: 100 total cpu time spent up to now is 42.2 secs Computing kpt #: 101 total cpu time spent up to now is 42.8 secs Computing kpt #: 102 total cpu time spent up to now is 43.4 secs Computing kpt #: 103 total cpu time spent up to now is 44.0 secs Computing kpt #: 104 total cpu time spent up to now is 44.4 secs Computing kpt #: 105 total cpu time spent up to now is 44.9 secs Computing kpt #: 106 total cpu time spent up to now is 45.3 secs Computing kpt #: 107 total cpu time spent up to now is 45.7 secs Computing kpt #: 108 total cpu time spent up to now is 46.2 secs Computing kpt #: 109 total cpu time spent up to now is 46.5 secs Computing kpt #: 110 total cpu time spent up to now is 47.0 secs Computing kpt #: 111 total cpu time spent up to now is 47.4 secs Computing kpt #: 112 total cpu time spent up to now is 47.8 secs Computing kpt #: 113 total cpu time spent up to now is 48.2 secs Computing kpt #: 114 total cpu time spent up to now is 48.6 secs Computing kpt #: 115 total cpu time spent up to now is 49.0 secs Computing kpt #: 116 total cpu time spent up to now is 49.5 secs Computing kpt #: 117 total cpu time spent up to now is 49.9 secs Computing kpt #: 118 total cpu time spent up to now is 50.3 secs Computing kpt #: 119 total cpu time spent up to now is 50.8 secs Computing kpt #: 120 total cpu time spent up to now is 51.2 secs Computing kpt #: 121 total cpu time spent up to now is 51.7 secs Computing kpt #: 122 total cpu time spent up to now is 52.3 secs Computing kpt #: 123 total cpu time spent up to now is 52.8 secs Computing kpt #: 124 total cpu time spent up to now is 53.2 secs Computing kpt #: 125 total cpu time spent up to now is 54.3 secs Computing kpt #: 126 total cpu time spent up to now is 55.0 secs Computing kpt #: 127 total cpu time spent up to now is 56.0 secs Computing kpt #: 128 total cpu time spent up to now is 56.6 secs Computing kpt #: 129 total cpu time spent up to now is 57.3 secs Computing kpt #: 130 total cpu time spent up to now is 57.8 secs Computing kpt #: 131 total cpu time spent up to now is 58.5 secs Computing kpt #: 132 total cpu time spent up to now is 59.3 secs Computing kpt #: 133 total cpu time spent up to now is 60.0 secs Computing kpt #: 134 total cpu time spent up to now is 60.9 secs Computing kpt #: 135 total cpu time spent up to now is 61.7 secs Computing kpt #: 136 total cpu time spent up to now is 62.3 secs Computing kpt #: 137 total cpu time spent up to now is 63.0 secs Computing kpt #: 138 total cpu time spent up to now is 63.7 secs Computing kpt #: 139 total cpu time spent up to now is 64.4 secs Computing kpt #: 140 total cpu time spent up to now is 65.1 secs Computing kpt #: 141 total cpu time spent up to now is 65.7 secs Computing kpt #: 142 total cpu time spent up to now is 66.4 secs Computing kpt #: 143 total cpu time spent up to now is 67.1 secs Computing kpt #: 144 total cpu time spent up to now is 67.7 secs Computing kpt #: 145 total cpu time spent up to now is 68.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.0 secs Computing kpt #: 147 total cpu time spent up to now is 69.6 secs Computing kpt #: 148 total cpu time spent up to now is 70.2 secs Computing kpt #: 149 total cpu time spent up to now is 70.6 secs Computing kpt #: 150 total cpu time spent up to now is 71.2 secs Computing kpt #: 151 total cpu time spent up to now is 71.7 secs Computing kpt #: 152 total cpu time spent up to now is 72.2 secs Computing kpt #: 153 total cpu time spent up to now is 72.5 secs Computing kpt #: 154 total cpu time spent up to now is 72.9 secs Computing kpt #: 155 total cpu time spent up to now is 73.4 secs Computing kpt #: 156 total cpu time spent up to now is 73.8 secs Computing kpt #: 157 total cpu time spent up to now is 74.1 secs Computing kpt #: 158 total cpu time spent up to now is 74.5 secs Computing kpt #: 159 total cpu time spent up to now is 74.8 secs Computing kpt #: 160 total cpu time spent up to now is 75.2 secs Computing kpt #: 161 total cpu time spent up to now is 75.6 secs Computing kpt #: 162 total cpu time spent up to now is 76.0 secs Computing kpt #: 163 total cpu time spent up to now is 76.3 secs Computing kpt #: 164 total cpu time spent up to now is 76.7 secs Computing kpt #: 165 total cpu time spent up to now is 77.0 secs Computing kpt #: 166 total cpu time spent up to now is 77.4 secs Computing kpt #: 167 total cpu time spent up to now is 77.8 secs Computing kpt #: 168 total cpu time spent up to now is 78.1 secs Computing kpt #: 169 total cpu time spent up to now is 78.5 secs Computing kpt #: 170 total cpu time spent up to now is 78.9 secs Computing kpt #: 171 total cpu time spent up to now is 79.2 secs Computing kpt #: 172 total cpu time spent up to now is 79.6 secs Computing kpt #: 173 total cpu time spent up to now is 79.9 secs Computing kpt #: 174 total cpu time spent up to now is 80.3 secs Computing kpt #: 175 total cpu time spent up to now is 80.7 secs Computing kpt #: 176 total cpu time spent up to now is 81.0 secs Computing kpt #: 177 total cpu time spent up to now is 81.4 secs Computing kpt #: 178 total cpu time spent up to now is 81.8 secs Computing kpt #: 179 total cpu time spent up to now is 82.1 secs Computing kpt #: 180 total cpu time spent up to now is 82.4 secs Computing kpt #: 181 total cpu time spent up to now is 82.8 secs Computing kpt #: 182 total cpu time spent up to now is 83.1 secs Computing kpt #: 183 total cpu time spent up to now is 83.5 secs Computing kpt #: 184 total cpu time spent up to now is 83.8 secs Computing kpt #: 185 total cpu time spent up to now is 84.2 secs Computing kpt #: 186 total cpu time spent up to now is 84.5 secs Computing kpt #: 187 total cpu time spent up to now is 84.9 secs Computing kpt #: 188 total cpu time spent up to now is 85.2 secs Computing kpt #: 189 total cpu time spent up to now is 85.6 secs Computing kpt #: 190 total cpu time spent up to now is 85.9 secs Computing kpt #: 191 total cpu time spent up to now is 86.3 secs Computing kpt #: 192 total cpu time spent up to now is 86.6 secs Computing kpt #: 193 total cpu time spent up to now is 87.0 secs Computing kpt #: 194 total cpu time spent up to now is 87.4 secs Computing kpt #: 195 total cpu time spent up to now is 87.7 secs Computing kpt #: 196 total cpu time spent up to now is 88.1 secs Computing kpt #: 197 total cpu time spent up to now is 88.4 secs Computing kpt #: 198 total cpu time spent up to now is 88.8 secs Computing kpt #: 199 total cpu time spent up to now is 89.1 secs Computing kpt #: 200 total cpu time spent up to now is 89.5 secs Computing kpt #: 201 total cpu time spent up to now is 89.8 secs Computing kpt #: 202 total cpu time spent up to now is 90.2 secs Computing kpt #: 203 total cpu time spent up to now is 90.5 secs Computing kpt #: 204 total cpu time spent up to now is 90.9 secs Computing kpt #: 205 total cpu time spent up to now is 91.2 secs Computing kpt #: 206 total cpu time spent up to now is 91.5 secs Computing kpt #: 207 total cpu time spent up to now is 91.9 secs Computing kpt #: 208 total cpu time spent up to now is 92.2 secs Computing kpt #: 209 total cpu time spent up to now is 92.6 secs Computing kpt #: 210 total cpu time spent up to now is 92.9 secs Computing kpt #: 211 total cpu time spent up to now is 93.2 secs Computing kpt #: 212 total cpu time spent up to now is 93.6 secs Computing kpt #: 213 total cpu time spent up to now is 93.9 secs Computing kpt #: 214 total cpu time spent up to now is 94.3 secs Computing kpt #: 215 total cpu time spent up to now is 94.6 secs Computing kpt #: 216 total cpu time spent up to now is 95.0 secs Computing kpt #: 217 total cpu time spent up to now is 95.3 secs Computing kpt #: 218 total cpu time spent up to now is 95.7 secs Computing kpt #: 219 total cpu time spent up to now is 96.4 secs Computing kpt #: 220 total cpu time spent up to now is 97.2 secs Computing kpt #: 221 total cpu time spent up to now is 97.8 secs Computing kpt #: 222 total cpu time spent up to now is 98.5 secs Computing kpt #: 223 total cpu time spent up to now is 99.2 secs Computing kpt #: 224 total cpu time spent up to now is 99.9 secs Computing kpt #: 225 total cpu time spent up to now is 100.5 secs Computing kpt #: 226 total cpu time spent up to now is 101.2 secs Computing kpt #: 227 total cpu time spent up to now is 101.8 secs Computing kpt #: 228 total cpu time spent up to now is 102.5 secs Computing kpt #: 229 total cpu time spent up to now is 103.2 secs Computing kpt #: 230 total cpu time spent up to now is 103.9 secs Computing kpt #: 231 total cpu time spent up to now is 104.5 secs Computing kpt #: 232 total cpu time spent up to now is 105.2 secs Computing kpt #: 233 total cpu time spent up to now is 105.9 secs Computing kpt #: 234 total cpu time spent up to now is 106.5 secs Computing kpt #: 235 total cpu time spent up to now is 107.2 secs Computing kpt #: 236 total cpu time spent up to now is 107.9 secs Computing kpt #: 237 total cpu time spent up to now is 108.6 secs Computing kpt #: 238 total cpu time spent up to now is 109.2 secs Computing kpt #: 239 total cpu time spent up to now is 109.8 secs Computing kpt #: 240 total cpu time spent up to now is 110.4 secs Computing kpt #: 241 total cpu time spent up to now is 111.0 secs Computing kpt #: 242 total cpu time spent up to now is 111.6 secs Computing kpt #: 243 total cpu time spent up to now is 112.2 secs Computing kpt #: 244 total cpu time spent up to now is 112.9 secs Computing kpt #: 245 total cpu time spent up to now is 113.5 secs Computing kpt #: 246 total cpu time spent up to now is 114.1 secs Computing kpt #: 247 total cpu time spent up to now is 114.7 secs Computing kpt #: 248 total cpu time spent up to now is 115.2 secs Computing kpt #: 249 total cpu time spent up to now is 115.9 secs Computing kpt #: 250 total cpu time spent up to now is 116.5 secs Computing kpt #: 251 total cpu time spent up to now is 117.1 secs Computing kpt #: 252 total cpu time spent up to now is 117.8 secs Computing kpt #: 253 total cpu time spent up to now is 118.4 secs Computing kpt #: 254 total cpu time spent up to now is 119.1 secs Computing kpt #: 255 total cpu time spent up to now is 120.1 secs Computing kpt #: 256 total cpu time spent up to now is 121.0 secs Computing kpt #: 257 total cpu time spent up to now is 121.9 secs Computing kpt #: 258 total cpu time spent up to now is 122.6 secs Computing kpt #: 259 total cpu time spent up to now is 123.3 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.7 secs Computing kpt #: 262 total cpu time spent up to now is 126.3 secs Computing kpt #: 263 total cpu time spent up to now is 126.7 secs Computing kpt #: 264 total cpu time spent up to now is 127.1 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.3 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.5 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.0 secs Computing kpt #: 269 total cpu time spent up to now is 133.0 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.4 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.7 secs Computing kpt #: 273 total cpu time spent up to now is 137.7 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.9 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.0 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.3 secs Computing kpt #: 277 total cpu time spent up to now is 141.8 secs Computing kpt #: 278 total cpu time spent up to now is 142.3 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.4 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.6 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.8 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.1 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.4 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.6 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.9 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.0 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.2 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.4 secs Computing kpt #: 290 total cpu time spent up to now is 156.4 secs Computing kpt #: 291 total cpu time spent up to now is 156.9 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 293 total cpu time spent up to now is 158.5 secs Computing kpt #: 294 total cpu time spent up to now is 158.8 secs Computing kpt #: 295 total cpu time spent up to now is 159.1 secs Computing kpt #: 296 total cpu time spent up to now is 159.4 secs Computing kpt #: 297 total cpu time spent up to now is 159.8 secs Computing kpt #: 298 total cpu time spent up to now is 160.1 secs Computing kpt #: 299 total cpu time spent up to now is 160.5 secs Computing kpt #: 300 total cpu time spent up to now is 160.8 secs Computing kpt #: 301 total cpu time spent up to now is 161.1 secs Computing kpt #: 302 total cpu time spent up to now is 161.5 secs Computing kpt #: 303 total cpu time spent up to now is 161.8 secs Computing kpt #: 304 total cpu time spent up to now is 162.2 secs Computing kpt #: 305 total cpu time spent up to now is 162.6 secs Computing kpt #: 306 total cpu time spent up to now is 162.9 secs Computing kpt #: 307 total cpu time spent up to now is 163.3 secs Computing kpt #: 308 total cpu time spent up to now is 163.6 secs Computing kpt #: 309 total cpu time spent up to now is 164.0 secs Computing kpt #: 310 total cpu time spent up to now is 164.3 secs Computing kpt #: 311 total cpu time spent up to now is 164.7 secs Computing kpt #: 312 total cpu time spent up to now is 165.2 secs Computing kpt #: 313 total cpu time spent up to now is 165.7 secs Computing kpt #: 314 total cpu time spent up to now is 166.2 secs Computing kpt #: 315 total cpu time spent up to now is 166.8 secs Computing kpt #: 316 total cpu time spent up to now is 167.4 secs Computing kpt #: 317 total cpu time spent up to now is 168.1 secs Computing kpt #: 318 total cpu time spent up to now is 168.7 secs Computing kpt #: 319 total cpu time spent up to now is 169.1 secs Computing kpt #: 320 total cpu time spent up to now is 169.6 secs Computing kpt #: 321 total cpu time spent up to now is 169.9 secs Computing kpt #: 322 total cpu time spent up to now is 170.3 secs Computing kpt #: 323 total cpu time spent up to now is 170.7 secs Computing kpt #: 324 total cpu time spent up to now is 171.0 secs Computing kpt #: 325 total cpu time spent up to now is 171.5 secs Computing kpt #: 326 total cpu time spent up to now is 171.9 secs Computing kpt #: 327 total cpu time spent up to now is 172.4 secs Computing kpt #: 328 total cpu time spent up to now is 172.9 secs Computing kpt #: 329 total cpu time spent up to now is 173.4 secs Computing kpt #: 330 total cpu time spent up to now is 173.9 secs Computing kpt #: 331 total cpu time spent up to now is 174.3 secs ethr = 2.38E-08, avg # of iterations = 35.5 total cpu time spent up to now is 174.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3785 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7032 -44.7032 -31.5298 -31.5298 -31.2046 -31.2046 -31.1659 -31.1659 -31.0183 -31.0183 6.3921 6.3921 9.1082 9.1082 9.4297 9.4297 9.5358 9.5358 9.8833 9.8833 10.3101 10.3101 11.1277 11.1277 11.8222 11.8222 12.2586 12.2586 13.1751 13.1751 13.1783 13.1783 13.5714 13.5714 13.7668 13.7668 14.0733 14.0733 14.7874 14.7874 15.7563 15.7563 16.0776 16.0776 k = 0.0000 0.0000 0.0138 ( 3790 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7032 -44.7032 -31.5298 -31.5298 -31.2046 -31.2046 -31.1659 -31.1659 -31.0183 -31.0183 6.3938 6.3938 9.1091 9.1091 9.4297 9.4297 9.5372 9.5372 9.8849 9.8849 10.3102 10.3102 11.1284 11.1284 11.8218 11.8218 12.2589 12.2589 13.1678 13.1678 13.1789 13.1789 13.5703 13.5703 13.7642 13.7642 14.0738 14.0738 14.7846 14.7846 15.7000 15.7000 16.1372 16.1372 k = 0.0000 0.0000 0.0276 ( 3796 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7033 -44.7033 -31.5298 -31.5298 -31.2046 -31.2046 -31.1660 -31.1660 -31.0183 -31.0183 6.3989 6.3989 9.1116 9.1116 9.4295 9.4295 9.5411 9.5411 9.8897 9.8897 10.3108 10.3108 11.1307 11.1307 11.8209 11.8209 12.2596 12.2596 13.1485 13.1485 13.1788 13.1788 13.5670 13.5670 13.7566 13.7566 14.0754 14.0754 14.7762 14.7762 15.5868 15.5868 16.2605 16.2605 k = 0.0000 0.0000 0.0414 ( 3798 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7033 -44.7033 -31.5299 -31.5299 -31.2047 -31.2047 -31.1660 -31.1660 -31.0183 -31.0183 6.4074 6.4074 9.1157 9.1157 9.4293 9.4293 9.5476 9.5476 9.8977 9.8977 10.3118 10.3118 11.1345 11.1345 11.8193 11.8193 12.2609 12.2609 13.1178 13.1178 13.1782 13.1782 13.5609 13.5609 13.7441 13.7441 14.0775 14.0775 14.7622 14.7622 15.4612 15.4612 16.4032 16.4032 k = 0.0000 0.0000 0.0553 ( 3798 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7033 -44.7033 -31.5299 -31.5299 -31.2047 -31.2047 -31.1660 -31.1660 -31.0183 -31.0183 6.4192 6.4192 9.1214 9.1214 9.4292 9.4292 9.5566 9.5566 9.9088 9.9088 10.3132 10.3132 11.1397 11.1397 11.8170 11.8170 12.2624 12.2624 13.0772 13.0772 13.1773 13.1773 13.5514 13.5514 13.7270 13.7270 14.0791 14.0791 14.7431 14.7431 15.3352 15.3352 16.5535 16.5535 k = 0.0000 0.0000 0.0691 ( 3792 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1661 -31.1661 -31.0183 -31.0183 6.4343 6.4343 9.1286 9.1286 9.4292 9.4292 9.5681 9.5681 9.9229 9.9229 10.3150 10.3150 11.1463 11.1463 11.8139 11.8139 12.2641 12.2641 13.0284 13.0284 13.1761 13.1761 13.5379 13.5379 13.7054 13.7054 14.0793 14.0793 14.7192 14.7192 15.2130 15.2130 16.7068 16.7068 k = 0.0000 0.0000 0.0829 ( 3788 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1661 -31.1661 -31.0183 -31.0183 6.4526 6.4526 9.1373 9.1373 9.4294 9.4294 9.5820 9.5820 9.9400 9.9400 10.3172 10.3172 11.1539 11.1539 11.8098 11.8098 12.2657 12.2657 12.9733 12.9733 13.1746 13.1746 13.5200 13.5200 13.6793 13.6793 14.0768 14.0768 14.6908 14.6908 15.0970 15.0970 16.8553 16.8553 k = 0.0000 0.0000 0.0967 ( 3788 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1662 -31.1662 -31.0183 -31.0183 6.4741 6.4741 9.1472 9.1472 9.4299 9.4299 9.5982 9.5982 9.9598 9.9598 10.3197 10.3197 11.1625 11.1625 11.8048 11.8048 12.2668 12.2668 12.9136 12.9136 13.1728 13.1728 13.4975 13.4975 13.6490 13.6490 14.0701 14.0701 14.6586 14.6586 14.9892 14.9892 16.9239 16.9239 k = 0.0000 0.0000 0.1105 ( 3782 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1662 -31.1662 -31.0183 -31.0183 6.4985 6.4985 9.1584 9.1584 9.4308 9.4308 9.6167 9.6167 9.9823 9.9823 10.3225 10.3225 11.1717 11.1717 11.7986 11.7986 12.2669 12.2669 12.8514 12.8514 13.1706 13.1706 13.4698 13.4698 13.6146 13.6146 14.0578 14.0578 14.6236 14.6236 14.8913 14.8913 16.9063 16.9063 k = 0.0000 0.0000 0.1243 ( 3783 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1663 -31.1663 -31.0183 -31.0183 6.5258 6.5258 9.1705 9.1705 9.4320 9.4320 9.6375 9.6375 10.0072 10.0072 10.3257 10.3257 11.1813 11.1813 11.7911 11.7911 12.2652 12.2652 12.7890 12.7890 13.1681 13.1681 13.4364 13.4364 13.5768 13.5768 14.0383 14.0383 14.5869 14.5869 14.8048 14.8048 16.8776 16.8776 k = 0.0000 0.0000 0.1381 ( 3781 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7032 -44.7032 -31.5299 -31.5299 -31.2047 -31.2047 -31.1664 -31.1664 -31.0183 -31.0183 6.5557 6.5557 9.1835 9.1835 9.4336 9.4336 9.6604 9.6604 10.0342 10.0342 10.3291 10.3291 11.1908 11.1908 11.7821 11.7821 12.2608 12.2608 12.7287 12.7287 13.1652 13.1652 13.3967 13.3967 13.5361 13.5361 14.0105 14.0105 14.5500 14.5500 14.7304 14.7304 16.8450 16.8450 k = 0.0000 0.0000 0.1520 ( 3782 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7033 -44.7033 -31.5299 -31.5299 -31.2048 -31.2048 -31.1665 -31.1665 -31.0183 -31.0183 6.5883 6.5883 9.1973 9.1973 9.4356 9.4356 9.6855 9.6855 10.0632 10.0632 10.3329 10.3329 11.1998 11.1998 11.7717 11.7717 12.2527 12.2527 12.6729 12.6729 13.1617 13.1617 13.3503 13.3503 13.4933 13.4933 13.9743 13.9743 14.5138 14.5138 14.6684 14.6684 16.8099 16.8099 k = 0.0000 0.0000 0.1658 ( 3778 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5299 -31.5299 -31.2048 -31.2048 -31.1666 -31.1666 -31.0183 -31.0183 6.6231 6.6231 9.2116 9.2116 9.4382 9.4382 9.7126 9.7126 10.0936 10.0936 10.3369 10.3369 11.2076 11.2076 11.7598 11.7598 12.2398 12.2398 12.6240 12.6240 13.1575 13.1575 13.2972 13.2972 13.4487 13.4487 13.9311 13.9311 14.4781 14.4781 14.6190 14.6190 16.7727 16.7727 k = 0.0000 0.0000 0.1796 ( 3775 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5300 -31.5300 -31.2048 -31.2048 -31.1667 -31.1667 -31.0183 -31.0183 6.6600 6.6600 9.2263 9.2263 9.4412 9.4412 9.7416 9.7416 10.1251 10.1251 10.3411 10.3411 11.2136 11.2136 11.7466 11.7466 12.2218 12.2218 12.5835 12.5835 13.1516 13.1516 13.2388 13.2388 13.4022 13.4022 13.8836 13.8836 14.4411 14.4411 14.5823 14.5823 16.7340 16.7340 k = 0.0000 0.0000 0.1934 ( 3777 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5300 -31.5300 -31.2048 -31.2048 -31.1668 -31.1668 -31.0183 -31.0183 6.6987 6.6987 9.2412 9.2412 9.4446 9.4446 9.7724 9.7724 10.1570 10.1570 10.3457 10.3457 11.2170 11.2170 11.7326 11.7326 12.1992 12.1992 12.5518 12.5518 13.1374 13.1374 13.1825 13.1825 13.3534 13.3534 13.8348 13.8348 14.4016 14.4016 14.5578 14.5578 16.6941 16.6941 k = 0.0000 0.0000 0.2072 ( 3777 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5300 -31.5300 -31.2048 -31.2048 -31.1669 -31.1669 -31.0183 -31.0183 6.7389 6.7389 9.2562 9.2562 9.4486 9.4486 9.8048 9.8048 10.1886 10.1886 10.3506 10.3506 11.2173 11.2173 11.7185 11.7185 12.1738 12.1738 12.5277 12.5277 13.0881 13.0881 13.1562 13.1562 13.3022 13.3022 13.7875 13.7875 14.3596 14.3596 14.5433 14.5433 16.6534 16.6534 k = 0.0000 0.0000 0.2210 ( 3774 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5300 -31.5300 -31.2049 -31.2049 -31.1670 -31.1670 -31.0183 -31.0183 6.7802 6.7802 9.2710 9.2710 9.4531 9.4531 9.8386 9.8386 10.2188 10.2188 10.3558 10.3558 11.2143 11.2143 11.7050 11.7050 12.1480 12.1480 12.5090 12.5090 13.0178 13.0178 13.1467 13.1467 13.2494 13.2494 13.7437 13.7437 14.3165 14.3165 14.5358 14.5358 16.6124 16.6124 k = 0.0000 0.0000 0.2349 ( 3774 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8323 -44.8323 -44.7033 -44.7033 -31.5300 -31.5300 -31.2049 -31.2049 -31.1671 -31.1671 -31.0183 -31.0183 6.8224 6.8224 9.2854 9.2854 9.4581 9.4581 9.8735 9.8735 10.2466 10.2466 10.3615 10.3615 11.2082 11.2082 11.6932 11.6932 12.1237 12.1237 12.4929 12.4929 12.9429 12.9429 13.1373 13.1373 13.1973 13.1973 13.7046 13.7046 14.2733 14.2733 14.5332 14.5332 16.5713 16.5713 k = 0.0000 0.0000 0.2487 ( 3777 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7033 -44.7033 -31.5301 -31.5301 -31.2049 -31.2049 -31.1672 -31.1672 -31.0183 -31.0183 6.8648 6.8648 9.2994 9.2994 9.4636 9.4636 9.9092 9.9092 10.2706 10.2706 10.3675 10.3675 11.2003 11.2003 11.6835 11.6835 12.1024 12.1024 12.4772 12.4772 12.8667 12.8667 13.1163 13.1163 13.1572 13.1572 13.6704 13.6704 14.2308 14.2308 14.5338 14.5338 16.5306 16.5306 k = 0.0000 0.0000 0.2625 ( 3783 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7034 -44.7034 -31.5301 -31.5301 -31.2050 -31.2050 -31.1673 -31.1673 -31.0183 -31.0183 6.9072 6.9072 9.3127 9.3127 9.4696 9.4696 9.9452 9.9452 10.2898 10.2898 10.3734 10.3734 11.1926 11.1926 11.6761 11.6761 12.0847 12.0847 12.4597 12.4597 12.7906 12.7906 13.0726 13.0726 13.1413 13.1413 13.6412 13.6412 14.1898 14.1898 14.5364 14.5364 16.4907 16.4907 k = 0.0000 0.0000 0.2763 ( 3785 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7034 -44.7034 -31.5301 -31.5301 -31.2050 -31.2050 -31.1674 -31.1674 -31.0184 -31.0184 6.9489 6.9489 9.3252 9.3252 9.4760 9.4760 9.9812 9.9812 10.3038 10.3038 10.3784 10.3784 11.1877 11.1877 11.6705 11.6705 12.0710 12.0710 12.4388 12.4388 12.7159 12.7159 13.0241 13.0241 13.1336 13.1336 13.6165 13.6165 14.1508 14.1508 14.5401 14.5401 16.4521 16.4521 k = 0.0000 0.0000 0.2901 ( 3787 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7034 -44.7034 -31.5301 -31.5301 -31.2050 -31.2050 -31.1675 -31.1675 -31.0184 -31.0184 6.9893 6.9893 9.3369 9.3369 9.4829 9.4829 10.0165 10.0165 10.3127 10.3127 10.3814 10.3814 11.1882 11.1882 11.6657 11.6657 12.0611 12.0611 12.4134 12.4134 12.6438 12.6438 12.9790 12.9790 13.1276 13.1276 13.5958 13.5958 14.1142 14.1142 14.5447 14.5447 16.4152 16.4152 k = 0.0000 0.0000 0.3039 ( 3790 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7034 -44.7034 -31.5302 -31.5302 -31.2050 -31.2050 -31.1676 -31.1676 -31.0184 -31.0184 7.0280 7.0280 9.3475 9.3475 9.4901 9.4901 10.0502 10.0502 10.3169 10.3169 10.3816 10.3816 11.1962 11.1962 11.6606 11.6606 12.0547 12.0547 12.3833 12.3833 12.5750 12.5750 12.9396 12.9396 13.1222 13.1222 13.5787 13.5787 14.0805 14.0805 14.5495 14.5495 16.3804 16.3804 k = 0.0000 0.0000 0.3177 ( 3788 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8325 -44.8325 -44.7034 -44.7034 -31.5302 -31.5302 -31.2050 -31.2050 -31.1677 -31.1677 -31.0184 -31.0184 7.0642 7.0642 9.3570 9.3570 9.4975 9.4975 10.0816 10.0816 10.3171 10.3171 10.3793 10.3793 11.2126 11.2126 11.6540 11.6540 12.0514 12.0514 12.3494 12.3494 12.5104 12.5104 12.9067 12.9067 13.1172 13.1172 13.5647 13.5647 14.0499 14.0499 14.5543 14.5543 16.3484 16.3484 k = 0.0000 0.0000 0.3316 ( 3794 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1678 -31.1678 -31.0184 -31.0184 7.0974 7.0974 9.3652 9.3652 9.5048 9.5048 10.1093 10.1093 10.3141 10.3141 10.3756 10.3756 11.2375 11.2375 11.6446 11.6446 12.0508 12.0508 12.3136 12.3136 12.4506 12.4506 12.8801 12.8801 13.1127 13.1127 13.5534 13.5534 14.0229 14.0229 14.5588 14.5588 16.3195 16.3195 k = 0.0000 0.0000 0.3454 ( 3788 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8325 -44.8325 -44.7034 -44.7034 -31.5302 -31.5302 -31.2051 -31.2051 -31.1678 -31.1678 -31.0184 -31.0184 7.1268 7.1268 9.3723 9.3723 9.5120 9.5120 10.1319 10.1319 10.3097 10.3097 10.3717 10.3717 11.2697 11.2697 11.6315 11.6315 12.0522 12.0522 12.2781 12.2781 12.3966 12.3966 12.8594 12.8594 13.1087 13.1087 13.5446 13.5446 13.9996 13.9996 14.5629 14.5629 16.2942 16.2942 k = 0.0000 0.0000 0.3592 ( 3792 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1679 -31.1679 -31.0184 -31.0184 7.1519 7.1519 9.3781 9.3781 9.5186 9.5186 10.1477 10.1477 10.3066 10.3066 10.3679 10.3679 11.3077 11.3077 11.6135 11.6135 12.0549 12.0549 12.2455 12.2455 12.3492 12.3492 12.8437 12.8437 13.1052 13.1052 13.5377 13.5377 13.9803 13.9803 14.5664 14.5664 16.2729 16.2729 k = 0.0000 0.0000 0.3730 ( 3792 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1679 -31.1679 -31.0184 -31.0184 7.1721 7.1721 9.3826 9.3826 9.5243 9.5243 10.1565 10.1565 10.3069 10.3069 10.3640 10.3640 11.3495 11.3495 11.5902 11.5902 12.0582 12.0582 12.2182 12.2182 12.3099 12.3099 12.8323 12.8323 13.1023 13.1023 13.5327 13.5327 13.9651 13.9651 14.5693 14.5693 16.2559 16.2559 k = 0.0000 0.0000 0.3868 ( 3790 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1679 -31.1679 -31.0184 -31.0184 7.1869 7.1869 9.3858 9.3858 9.5287 9.5287 10.1597 10.1597 10.3103 10.3103 10.3601 10.3601 11.3929 11.3929 11.5617 11.5617 12.0612 12.0612 12.1980 12.1980 12.2801 12.2801 12.8245 12.8245 13.1003 13.1003 13.5293 13.5293 13.9542 13.9542 14.5714 14.5714 16.2435 16.2435 k = 0.0000 0.0000 0.4006 ( 3796 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1680 -31.1680 -31.0184 -31.0184 7.1959 7.1959 9.3878 9.3878 9.5315 9.5315 10.1599 10.1599 10.3145 10.3145 10.3569 10.3569 11.4347 11.4347 11.5294 11.5294 12.0634 12.0634 12.1858 12.1858 12.2612 12.2612 12.8199 12.8199 13.0990 13.0990 13.5273 13.5273 13.9476 13.9476 14.5727 14.5727 16.2360 16.2360 k = 0.0000 0.0000 0.4144 ( 3794 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1680 -31.1680 -31.0184 -31.0184 7.1989 7.1989 9.3884 9.3884 9.5325 9.5325 10.1597 10.1597 10.3165 10.3165 10.3555 10.3555 11.4606 11.4606 11.5068 11.5068 12.0642 12.0642 12.1817 12.1817 12.2546 12.2546 12.8184 12.8184 13.0985 13.0985 13.5266 13.5266 13.9454 13.9454 14.5731 14.5731 16.2335 16.2335 k = 0.0000 0.0000 0.4144 ( 3794 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1680 -31.1680 -31.0184 -31.0184 7.1989 7.1989 9.3884 9.3884 9.5325 9.5325 10.1597 10.1597 10.3165 10.3165 10.3555 10.3555 11.4606 11.4606 11.5068 11.5068 12.0642 12.0642 12.1817 12.1817 12.2546 12.2546 12.8184 12.8184 13.0985 13.0985 13.5266 13.5266 13.9454 13.9454 14.5731 14.5731 16.2335 16.2335 k = 0.0000 0.0138 0.4144 ( 3798 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1680 -31.1680 -31.0185 -31.0185 7.2007 7.2007 9.3899 9.3899 9.5344 9.5344 10.1611 10.1611 10.3089 10.3089 10.3629 10.3629 11.4502 11.4502 11.5157 11.5157 12.0569 12.0569 12.1880 12.1880 12.2554 12.2554 12.8209 12.8209 13.0959 13.0959 13.5263 13.5263 13.9426 13.9426 14.5773 14.5773 16.2357 16.2357 k = 0.0000 0.0277 0.4144 ( 3798 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8325 -44.8325 -44.7036 -44.7036 -31.5301 -31.5301 -31.2051 -31.2051 -31.1681 -31.1681 -31.0187 -31.0187 7.2060 7.2060 9.3943 9.3943 9.5401 9.5401 10.1652 10.1652 10.2938 10.2938 10.3778 10.3778 11.4291 11.4291 11.5321 11.5321 12.0390 12.0390 12.2024 12.2024 12.2583 12.2583 12.8285 12.8285 13.0880 13.0880 13.5256 13.5256 13.9342 13.9342 14.5900 14.5900 16.2422 16.2422 k = 0.0000 0.0415 0.4144 ( 3788 PWs) bands (ev): -77.9563 -77.9563 -77.9043 -77.9043 -44.8324 -44.8324 -44.7036 -44.7036 -31.5299 -31.5299 -31.2052 -31.2052 -31.1682 -31.1682 -31.0190 -31.0190 7.2148 7.2148 9.4016 9.4016 9.5496 9.5496 10.1717 10.1717 10.2772 10.2772 10.3944 10.3944 11.4049 11.4049 11.5485 11.5485 12.0162 12.0162 12.2165 12.2165 12.2662 12.2662 12.8407 12.8407 13.0747 13.0747 13.5255 13.5255 13.9207 13.9207 14.6103 14.6103 16.2529 16.2529 k = 0.0000 0.0553 0.4144 ( 3788 PWs) bands (ev): -77.9563 -77.9563 -77.9043 -77.9043 -44.8323 -44.8323 -44.7038 -44.7038 -31.5297 -31.5297 -31.2053 -31.2053 -31.1683 -31.1683 -31.0195 -31.0195 7.2270 7.2270 9.4118 9.4118 9.5627 9.5627 10.1800 10.1800 10.2608 10.2608 10.4113 10.4113 11.3796 11.3796 11.5629 11.5629 11.9921 11.9921 12.2243 12.2243 12.2815 12.2815 12.8570 12.8570 13.0563 13.0563 13.5270 13.5270 13.9022 13.9022 14.6374 14.6374 16.2675 16.2675 k = 0.0000 0.0691 0.4144 ( 3786 PWs) bands (ev): -77.9563 -77.9563 -77.9043 -77.9043 -44.8323 -44.8323 -44.7039 -44.7039 -31.5294 -31.5294 -31.2054 -31.2054 -31.1685 -31.1685 -31.0201 -31.0201 7.2428 7.2428 9.4247 9.4247 9.5794 9.5794 10.1884 10.1884 10.2469 10.2469 10.4278 10.4278 11.3542 11.3542 11.5745 11.5745 11.9685 11.9685 12.2264 12.2264 12.3023 12.3023 12.8761 12.8761 13.0336 13.0336 13.5314 13.5314 13.8794 13.8794 14.6702 14.6702 16.2856 16.2856 k = 0.0000 0.0830 0.4144 ( 3789 PWs) bands (ev): -77.9562 -77.9562 -77.9043 -77.9043 -44.8322 -44.8322 -44.7041 -44.7041 -31.5291 -31.5291 -31.2055 -31.2055 -31.1688 -31.1688 -31.0208 -31.0208 7.2619 7.2619 9.4403 9.4403 9.5996 9.5996 10.1918 10.1918 10.2405 10.2405 10.4439 10.4439 11.3292 11.3292 11.5827 11.5827 11.9466 11.9466 12.2252 12.2252 12.3251 12.3251 12.8945 12.8945 13.0102 13.0102 13.5393 13.5393 13.8530 13.8530 14.7075 14.7075 16.3069 16.3069 k = 0.0000 0.0968 0.4144 ( 3786 PWs) bands (ev): -77.9562 -77.9562 -77.9043 -77.9043 -44.8321 -44.8321 -44.7043 -44.7043 -31.5287 -31.5287 -31.2056 -31.2056 -31.1690 -31.1690 -31.0216 -31.0216 7.2845 7.2845 9.4584 9.4584 9.6229 9.6229 10.1848 10.1848 10.2470 10.2470 10.4593 10.4593 11.3054 11.3054 11.5872 11.5872 11.9274 11.9274 12.2223 12.2223 12.3481 12.3481 12.9019 12.9019 12.9964 12.9964 13.5513 13.5513 13.8239 13.8239 14.7484 14.7484 16.3310 16.3311 k = 0.0000 0.1106 0.4144 ( 3786 PWs) bands (ev): -77.9561 -77.9561 -77.9044 -77.9044 -44.8320 -44.8320 -44.7045 -44.7045 -31.5282 -31.5282 -31.2058 -31.2058 -31.1694 -31.1694 -31.0226 -31.0226 7.3103 7.3103 9.4789 9.4789 9.6493 9.6493 10.1713 10.1713 10.2625 10.2625 10.4740 10.4740 11.2832 11.2832 11.5876 11.5876 11.9117 11.9117 12.2182 12.2182 12.3702 12.3702 12.8850 12.8850 13.0059 13.0059 13.5673 13.5673 13.7932 13.7932 14.7919 14.7919 16.3575 16.3575 k = 0.0000 0.1245 0.4144 ( 3792 PWs) bands (ev): -77.9561 -77.9561 -77.9044 -77.9044 -44.8319 -44.8319 -44.7048 -44.7048 -31.5277 -31.5277 -31.2060 -31.2060 -31.1698 -31.1698 -31.0237 -31.0237 7.3394 7.3394 9.5017 9.5017 9.6783 9.6783 10.1555 10.1555 10.2823 10.2823 10.4878 10.4878 11.2630 11.2630 11.5838 11.5838 11.9001 11.9001 12.2130 12.2130 12.3907 12.3907 12.8510 12.8510 13.0316 13.0316 13.5873 13.5873 13.7620 13.7620 14.8372 14.8372 16.3858 16.3858 k = 0.0000 0.1383 0.4144 ( 3798 PWs) bands (ev): -77.9560 -77.9560 -77.9045 -77.9045 -44.8318 -44.8318 -44.7052 -44.7052 -31.5271 -31.5271 -31.2062 -31.2062 -31.1702 -31.1702 -31.0249 -31.0249 7.3718 7.3718 9.5264 9.5264 9.7097 9.7097 10.1393 10.1393 10.3046 10.3046 10.5007 10.5007 11.2453 11.2453 11.5760 11.5760 11.8928 11.8928 12.2069 12.2069 12.4089 12.4089 12.8110 12.8110 13.0629 13.0629 13.6108 13.6108 13.7322 13.7322 14.8836 14.8836 16.4156 16.4156 k = 0.0000 0.1521 0.4144 ( 3796 PWs) bands (ev): -77.9559 -77.9559 -77.9045 -77.9045 -44.8317 -44.8317 -44.7055 -44.7055 -31.5265 -31.5265 -31.2063 -31.2063 -31.1706 -31.1706 -31.0263 -31.0263 7.4072 7.4072 9.5529 9.5529 9.7429 9.7429 10.1233 10.1233 10.3286 10.3286 10.5127 10.5127 11.2305 11.2305 11.5646 11.5646 11.8899 11.8899 12.1998 12.1998 12.4239 12.4239 12.7700 12.7700 13.0949 13.0949 13.6370 13.6370 13.7062 13.7062 14.9306 14.9306 16.4464 16.4464 k = 0.0000 0.1660 0.4144 ( 3792 PWs) bands (ev): -77.9558 -77.9558 -77.9045 -77.9045 -44.8315 -44.8315 -44.7058 -44.7058 -31.5258 -31.5258 -31.2066 -31.2066 -31.1711 -31.1711 -31.0277 -31.0277 7.4456 7.4456 9.5807 9.5807 9.7776 9.7776 10.1079 10.1079 10.3538 10.3538 10.5240 10.5240 11.2188 11.2188 11.5502 11.5502 11.8914 11.8914 12.1916 12.1916 12.4344 12.4344 12.7313 12.7313 13.1245 13.1245 13.6612 13.6612 13.6909 13.6909 14.9777 14.9777 16.4779 16.4779 k = 0.0000 0.1798 0.4144 ( 3790 PWs) bands (ev): -77.9557 -77.9557 -77.9046 -77.9046 -44.8314 -44.8314 -44.7062 -44.7062 -31.5251 -31.5251 -31.2068 -31.2068 -31.1717 -31.1717 -31.0292 -31.0292 7.4870 7.4870 9.6096 9.6096 9.8130 9.8130 10.0933 10.0933 10.3801 10.3801 10.5344 10.5344 11.2104 11.2104 11.5336 11.5336 11.8969 11.8969 12.1818 12.1818 12.4388 12.4388 12.6982 12.6982 13.1491 13.1491 13.6626 13.6626 13.7090 13.7090 15.0246 15.0246 16.5097 16.5097 k = 0.0000 0.1936 0.4144 ( 3786 PWs) bands (ev): -77.9556 -77.9556 -77.9046 -77.9046 -44.8312 -44.8312 -44.7066 -44.7066 -31.5243 -31.5243 -31.2070 -31.2070 -31.1723 -31.1723 -31.0308 -31.0308 7.5312 7.5312 9.6389 9.6389 9.8483 9.8483 10.0801 10.0801 10.4071 10.4071 10.5442 10.5442 11.2054 11.2054 11.5157 11.5157 11.9061 11.9061 12.1702 12.1702 12.4356 12.4356 12.6732 12.6732 13.1663 13.1663 13.6612 13.6612 13.7433 13.7433 15.0711 15.0711 16.5416 16.5416 k = 0.0000 0.2074 0.4144 ( 3788 PWs) bands (ev): -77.9555 -77.9555 -77.9047 -77.9047 -44.8310 -44.8310 -44.7070 -44.7070 -31.5235 -31.5235 -31.2072 -31.2072 -31.1729 -31.1729 -31.0325 -31.0325 7.5781 7.5781 9.6682 9.6682 9.8825 9.8825 10.0688 10.0688 10.4348 10.4348 10.5534 10.5534 11.2035 11.2035 11.4971 11.4971 11.9188 11.9188 12.1561 12.1561 12.4249 12.4249 12.6575 12.6575 13.1752 13.1752 13.6700 13.6700 13.7816 13.7816 15.1169 15.1169 16.5731 16.5731 k = 0.0000 0.2213 0.4144 ( 3784 PWs) bands (ev): -77.9554 -77.9554 -77.9047 -77.9047 -44.8308 -44.8308 -44.7075 -44.7075 -31.5226 -31.5226 -31.2074 -31.2074 -31.1736 -31.1736 -31.0342 -31.0342 7.6275 7.6275 9.6968 9.6968 9.9141 9.9141 10.0609 10.0609 10.4634 10.4634 10.5621 10.5621 11.2045 11.2045 11.4787 11.4787 11.9345 11.9345 12.1391 12.1391 12.4092 12.4092 12.6498 12.6498 13.1763 13.1763 13.6904 13.6904 13.8226 13.8226 15.1619 15.1619 16.6041 16.6041 k = 0.0000 0.2351 0.4144 ( 3785 PWs) bands (ev): -77.9553 -77.9553 -77.9048 -77.9048 -44.8306 -44.8306 -44.7080 -44.7080 -31.5218 -31.5218 -31.2077 -31.2077 -31.1743 -31.1743 -31.0360 -31.0360 7.6793 7.6793 9.7239 9.7239 9.9402 9.9402 10.0586 10.0586 10.4929 10.4929 10.5704 10.5704 11.2077 11.2077 11.4612 11.4612 11.9524 11.9524 12.1193 12.1193 12.3925 12.3925 12.6473 12.6473 13.1718 13.1718 13.7208 13.7208 13.8659 13.8659 15.2060 15.2060 16.6341 16.6341 k = 0.0000 0.2489 0.4144 ( 3785 PWs) bands (ev): -77.9552 -77.9552 -77.9048 -77.9048 -44.8304 -44.8304 -44.7084 -44.7084 -31.5208 -31.5208 -31.2079 -31.2079 -31.1750 -31.1750 -31.0379 -31.0379 7.7334 7.7334 9.7488 9.7488 9.9572 9.9572 10.0657 10.0657 10.5229 10.5229 10.5787 10.5787 11.2122 11.2122 11.4454 11.4454 11.9703 11.9703 12.0987 12.0987 12.3780 12.3780 12.6472 12.6472 13.1647 13.1647 13.7590 13.7590 13.9114 13.9114 15.2493 15.2493 16.6630 16.6630 k = 0.0000 0.2628 0.4144 ( 3781 PWs) bands (ev): -77.9551 -77.9551 -77.9049 -77.9049 -44.8302 -44.8302 -44.7089 -44.7089 -31.5198 -31.5198 -31.2082 -31.2082 -31.1758 -31.1758 -31.0398 -31.0398 7.7895 7.7895 9.7707 9.7707 9.9638 9.9638 10.0835 10.0835 10.5511 10.5511 10.5894 10.5894 11.2169 11.2169 11.4325 11.4325 11.9819 11.9819 12.0836 12.0836 12.3678 12.3678 12.6478 12.6478 13.1578 13.1578 13.8028 13.8028 13.9587 13.9587 15.2917 15.2917 16.6904 16.6904 k = 0.0000 0.2766 0.4144 ( 3774 PWs) bands (ev): -77.9549 -77.9549 -77.9050 -77.9050 -44.8300 -44.8300 -44.7094 -44.7094 -31.5188 -31.5188 -31.2084 -31.2084 -31.1766 -31.1766 -31.0418 -31.0418 7.8475 7.8475 9.7889 9.7889 9.9631 9.9631 10.1089 10.1089 10.5700 10.5700 10.6096 10.6096 11.2202 11.2202 11.4236 11.4236 11.9762 11.9762 12.0855 12.0855 12.3628 12.3628 12.6481 12.6481 13.1532 13.1532 13.8503 13.8503 14.0078 14.0078 15.3334 15.3334 16.7158 16.7158 k = 0.0000 0.2904 0.4144 ( 3770 PWs) bands (ev): -77.9548 -77.9548 -77.9050 -77.9050 -44.8297 -44.8297 -44.7099 -44.7099 -31.5178 -31.5178 -31.2086 -31.2086 -31.1774 -31.1774 -31.0438 -31.0438 7.9072 7.9072 9.8032 9.8032 9.9590 9.9590 10.1382 10.1382 10.5776 10.5776 10.6411 10.6411 11.2207 11.2207 11.4200 11.4200 11.9530 11.9530 12.1054 12.1054 12.3631 12.3631 12.6482 12.6482 13.1526 13.1526 13.9002 13.9002 14.0584 14.0584 15.3744 15.3744 16.7388 16.7388 k = 0.0000 0.3043 0.4144 ( 3774 PWs) bands (ev): -77.9547 -77.9547 -77.9051 -77.9051 -44.8295 -44.8295 -44.7105 -44.7105 -31.5168 -31.5168 -31.2088 -31.2088 -31.1783 -31.1783 -31.0458 -31.0458 7.9683 7.9683 9.8134 9.8134 9.9535 9.9535 10.1692 10.1692 10.5798 10.5798 10.6772 10.6772 11.2172 11.2172 11.4224 11.4224 11.9218 11.9218 12.1338 12.1338 12.3689 12.3689 12.6490 12.6490 13.1567 13.1567 13.9512 13.9512 14.1103 14.1103 15.4149 15.4149 16.7588 16.7588 k = 0.0000 0.3181 0.4144 ( 3772 PWs) bands (ev): -77.9546 -77.9546 -77.9051 -77.9051 -44.8292 -44.8292 -44.7110 -44.7110 -31.5157 -31.5157 -31.2090 -31.2090 -31.1792 -31.1792 -31.0479 -31.0479 8.0306 8.0306 9.8200 9.8200 9.9478 9.9478 10.2004 10.2004 10.5790 10.5790 10.7150 10.7150 11.2095 11.2095 11.4305 11.4305 11.8882 11.8882 12.1651 12.1651 12.3801 12.3801 12.6519 12.6519 13.1657 13.1657 14.0028 14.0028 14.1633 14.1633 15.4549 15.4549 16.7749 16.7749 k = 0.0000 0.3319 0.4144 ( 3778 PWs) bands (ev): -77.9544 -77.9544 -77.9052 -77.9052 -44.8290 -44.8290 -44.7116 -44.7116 -31.5146 -31.5146 -31.2091 -31.2091 -31.1802 -31.1802 -31.0500 -31.0500 8.0939 8.0939 9.8233 9.8233 9.9421 9.9421 10.2310 10.2310 10.5758 10.5758 10.7533 10.7533 11.1981 11.1981 11.4432 11.4432 11.8547 11.8547 12.1961 12.1961 12.3968 12.3968 12.6589 12.6589 13.1796 13.1796 14.0542 14.0542 14.2171 14.2171 15.4948 15.4948 16.7858 16.7858 k = 0.0000 0.3457 0.4144 ( 3778 PWs) bands (ev): -77.9543 -77.9543 -77.9053 -77.9053 -44.8288 -44.8288 -44.7122 -44.7122 -31.5136 -31.5136 -31.2093 -31.2093 -31.1812 -31.1812 -31.0520 -31.0520 8.1579 8.1579 9.8240 9.8240 9.9367 9.9367 10.2599 10.2599 10.5706 10.5706 10.7913 10.7913 11.1841 11.1841 11.4590 11.4590 11.8227 11.8227 12.2254 12.2254 12.4186 12.4186 12.6719 12.6719 13.1981 13.1981 14.1052 14.1052 14.2713 14.2713 15.5348 15.5348 16.7898 16.7898 k = 0.0000 0.3596 0.4144 ( 3782 PWs) bands (ev): -77.9542 -77.9542 -77.9054 -77.9054 -44.8285 -44.8285 -44.7127 -44.7127 -31.5125 -31.5125 -31.2094 -31.2094 -31.1822 -31.1822 -31.0541 -31.0541 8.2222 8.2222 9.8228 9.8228 9.9318 9.9318 10.2863 10.2863 10.5635 10.5635 10.8283 10.8283 11.1685 11.1685 11.4764 11.4764 11.7931 11.7931 12.2523 12.2523 12.4447 12.4447 12.6926 12.6926 13.2208 13.2208 14.1553 14.1553 14.3257 14.3257 15.5749 15.5749 16.7837 16.7837 k = 0.0000 0.3734 0.4144 ( 3779 PWs) bands (ev): -77.9541 -77.9541 -77.9054 -77.9054 -44.8283 -44.8283 -44.7133 -44.7133 -31.5114 -31.5114 -31.2095 -31.2095 -31.1832 -31.1832 -31.0561 -31.0561 8.2867 8.2867 9.8203 9.8203 9.9274 9.9274 10.3093 10.3093 10.5550 10.5550 10.8638 10.8638 11.1520 11.1520 11.4940 11.4940 11.7665 11.7665 12.2773 12.2773 12.4741 12.4741 12.7216 12.7216 13.2476 13.2476 14.2045 14.2045 14.3800 14.3800 15.6156 15.6156 16.7607 16.7607 k = 0.0000 0.3872 0.4144 ( 3783 PWs) bands (ev): -77.9540 -77.9540 -77.9055 -77.9055 -44.8280 -44.8280 -44.7138 -44.7138 -31.5103 -31.5103 -31.2096 -31.2096 -31.1842 -31.1842 -31.0581 -31.0581 8.3509 8.3509 9.8169 9.8169 9.9236 9.9236 10.3280 10.3280 10.5452 10.5452 10.8973 10.8973 11.1355 11.1355 11.5105 11.5105 11.7436 11.7436 12.3012 12.3012 12.5064 12.5064 12.7586 12.7586 13.2782 13.2782 14.2523 14.2523 14.4337 14.4337 15.6570 15.6570 16.7111 16.7111 k = 0.0000 0.4011 0.4144 ( 3785 PWs) bands (ev): -77.9538 -77.9538 -77.9056 -77.9056 -44.8278 -44.8278 -44.7144 -44.7144 -31.5093 -31.5093 -31.2097 -31.2097 -31.1853 -31.1853 -31.0600 -31.0600 8.4146 8.4146 9.8131 9.8131 9.9205 9.9205 10.3417 10.3417 10.5345 10.5345 10.9280 10.9280 11.1199 11.1199 11.5250 11.5250 11.7251 11.7251 12.3247 12.3247 12.5415 12.5415 12.8023 12.8023 13.3125 13.3125 14.2988 14.2988 14.4866 14.4866 15.6994 15.6994 16.6372 16.6372 k = 0.0000 0.4149 0.4144 ( 3783 PWs) bands (ev): -77.9537 -77.9537 -77.9056 -77.9056 -44.8276 -44.8276 -44.7149 -44.7149 -31.5082 -31.5082 -31.2097 -31.2097 -31.1863 -31.1863 -31.0619 -31.0619 8.4773 8.4773 9.8092 9.8092 9.9183 9.9183 10.3499 10.3499 10.5230 10.5230 10.9546 10.9546 11.1065 11.1065 11.5364 11.5364 11.7118 11.7118 12.3486 12.3486 12.5798 12.5798 12.8508 12.8508 13.3505 13.3505 14.3436 14.3436 14.5385 14.5385 15.7430 15.7430 16.5526 16.5526 k = 0.0000 0.4287 0.4144 ( 3779 PWs) bands (ev): -77.9536 -77.9536 -77.9057 -77.9057 -44.8273 -44.8273 -44.7154 -44.7154 -31.5072 -31.5072 -31.2097 -31.2097 -31.1874 -31.1874 -31.0638 -31.0638 8.5388 8.5388 9.8056 9.8056 9.9170 9.9170 10.3526 10.3526 10.5108 10.5108 10.9750 10.9750 11.0977 11.0977 11.5438 11.5438 11.7049 11.7049 12.3732 12.3732 12.6214 12.6214 12.9022 12.9022 13.3920 13.3920 14.3867 14.3867 14.5891 14.5891 15.7878 15.7878 16.4649 16.4649 k = 0.0000 0.4426 0.4144 ( 3780 PWs) bands (ev): -77.9535 -77.9535 -77.9057 -77.9057 -44.8271 -44.8271 -44.7159 -44.7159 -31.5062 -31.5062 -31.2096 -31.2096 -31.1884 -31.1884 -31.0656 -31.0656 8.5986 8.5986 9.8025 9.8025 9.9166 9.9166 10.3500 10.3500 10.4979 10.4979 10.9857 10.9857 11.0965 11.0965 11.5467 11.5467 11.7050 11.7050 12.3985 12.3985 12.6661 12.6661 12.9549 12.9549 13.4370 13.4370 14.4279 14.4279 14.6381 14.6381 15.8340 15.8340 16.3769 16.3769 k = 0.0000 0.4564 0.4144 ( 3785 PWs) bands (ev): -77.9534 -77.9534 -77.9058 -77.9058 -44.8269 -44.8269 -44.7164 -44.7164 -31.5052 -31.5052 -31.2095 -31.2095 -31.1895 -31.1895 -31.0673 -31.0673 8.6563 8.6563 9.8001 9.8001 9.9172 9.9172 10.3427 10.3427 10.4840 10.4840 10.9850 10.9850 11.1048 11.1048 11.5454 11.5454 11.7122 11.7122 12.4246 12.4246 12.7134 12.7134 13.0078 13.0078 13.4851 13.4851 14.4670 14.4670 14.6855 14.6855 15.8815 15.8815 16.2900 16.2900 k = 0.0000 0.4702 0.4144 ( 3777 PWs) bands (ev): -77.9533 -77.9533 -77.9059 -77.9059 -44.8266 -44.8266 -44.7168 -44.7168 -31.5043 -31.5043 -31.2094 -31.2094 -31.1906 -31.1906 -31.0689 -31.0689 8.7116 8.7116 9.7987 9.7987 9.9187 9.9187 10.3316 10.3316 10.4689 10.4689 10.9753 10.9753 11.1201 11.1201 11.5408 11.5408 11.7256 11.7256 12.4516 12.4516 12.7623 12.7623 13.0600 13.0600 13.5361 13.5361 14.5039 14.5039 14.7310 14.7310 15.9295 15.9295 16.2056 16.2056 k = 0.0000 0.4840 0.4144 ( 3773 PWs) bands (ev): -77.9532 -77.9532 -77.9059 -77.9059 -44.8264 -44.8264 -44.7173 -44.7173 -31.5034 -31.5034 -31.2092 -31.2092 -31.1917 -31.1917 -31.0704 -31.0704 8.7640 8.7640 9.7983 9.7983 9.9213 9.9213 10.3174 10.3174 10.4526 10.4526 10.9602 10.9602 11.1388 11.1388 11.5340 11.5340 11.7439 11.7439 12.4792 12.4792 12.8117 12.8117 13.1110 13.1110 13.5894 13.5894 14.5384 14.5384 14.7745 14.7745 15.9748 15.9748 16.1268 16.1268 k = 0.0000 0.4979 0.4144 ( 3773 PWs) bands (ev): -77.9531 -77.9531 -77.9059 -77.9059 -44.8262 -44.8262 -44.7177 -44.7177 -31.5025 -31.5025 -31.2090 -31.2090 -31.1928 -31.1928 -31.0719 -31.0719 8.8132 8.8132 9.7991 9.7991 9.9247 9.9247 10.3010 10.3010 10.4350 10.4350 10.9418 10.9418 11.1588 11.1588 11.5259 11.5259 11.7659 11.7659 12.5074 12.5074 12.8604 12.8604 13.1605 13.1605 13.6442 13.6442 14.5703 14.5703 14.8159 14.8159 15.9918 15.9918 16.0786 16.0786 k = 0.0000 0.5117 0.4144 ( 3771 PWs) bands (ev): -77.9530 -77.9530 -77.9060 -77.9060 -44.8260 -44.8260 -44.7181 -44.7181 -31.5017 -31.5017 -31.2088 -31.2088 -31.1938 -31.1938 -31.0733 -31.0733 8.8588 8.8588 9.8013 9.8013 9.9290 9.9290 10.2831 10.2831 10.4165 10.4165 10.9215 10.9215 11.1792 11.1792 11.5170 11.5170 11.7903 11.7903 12.5361 12.5361 12.9075 12.9075 13.2084 13.2084 13.6999 13.6999 14.5995 14.5995 14.8552 14.8552 15.9362 15.9362 16.1027 16.1027 k = 0.0000 0.5255 0.4144 ( 3759 PWs) bands (ev): -77.9529 -77.9529 -77.9060 -77.9060 -44.8257 -44.8257 -44.7184 -44.7184 -31.5009 -31.5009 -31.2085 -31.2085 -31.1949 -31.1949 -31.0745 -31.0745 8.9004 8.9004 9.8048 9.8048 9.9339 9.9339 10.2642 10.2642 10.3974 10.3974 10.9001 10.9001 11.1994 11.1994 11.5076 11.5076 11.8161 11.8161 12.5653 12.5653 12.9520 12.9520 13.2542 13.2542 13.7556 13.7556 14.6258 14.6258 14.8924 14.8924 15.8616 15.8616 16.1302 16.1302 k = 0.0000 0.5394 0.4144 ( 3757 PWs) bands (ev): -77.9528 -77.9528 -77.9060 -77.9060 -44.8256 -44.8256 -44.7188 -44.7188 -31.5002 -31.5002 -31.2081 -31.2081 -31.1959 -31.1959 -31.0756 -31.0756 8.9378 8.9378 9.8096 9.8096 9.9394 9.9394 10.2448 10.2448 10.3781 10.3781 10.8780 10.8780 11.2191 11.2191 11.4980 11.4980 11.8424 11.8424 12.5947 12.5947 12.9933 12.9933 13.2976 13.2976 13.8106 13.8106 14.6488 14.6488 14.9275 14.9275 15.7858 15.7858 16.1047 16.1047 k = 0.0000 0.5532 0.4144 ( 3757 PWs) bands (ev): -77.9528 -77.9528 -77.9061 -77.9061 -44.8254 -44.8254 -44.7191 -44.7191 -31.4996 -31.4996 -31.2077 -31.2077 -31.1969 -31.1969 -31.0767 -31.0767 8.9705 8.9705 9.8158 9.8158 9.9452 9.9452 10.2253 10.2253 10.3591 10.3591 10.8559 10.8559 11.2381 11.2381 11.4881 11.4881 11.8681 11.8681 12.6243 12.6243 13.0309 13.0309 13.3379 13.3379 13.8640 13.8640 14.6682 14.6682 14.9605 14.9605 15.7111 15.7111 16.0498 16.0498 k = 0.0000 0.5670 0.4144 ( 3756 PWs) bands (ev): -77.9527 -77.9527 -77.9061 -77.9061 -44.8253 -44.8253 -44.7193 -44.7193 -31.4991 -31.4991 -31.2073 -31.2073 -31.1979 -31.1979 -31.0776 -31.0776 8.9983 8.9983 9.8230 9.8230 9.9509 9.9509 10.2062 10.2062 10.3409 10.3409 10.8343 10.8343 11.2559 11.2559 11.4781 11.4781 11.8926 11.8926 12.6539 12.6539 13.0647 13.0647 13.3744 13.3744 13.9151 13.9151 14.6839 14.6839 14.9918 14.9918 15.6382 15.6382 15.9939 15.9939 k = 0.0000 0.5809 0.4144 ( 3754 PWs) bands (ev): -77.9527 -77.9527 -77.9061 -77.9061 -44.8252 -44.8252 -44.7196 -44.7196 -31.4986 -31.4986 -31.2068 -31.2068 -31.1989 -31.1989 -31.0783 -31.0783 9.0209 9.0209 9.8313 9.8313 9.9564 9.9564 10.1879 10.1879 10.3241 10.3241 10.8137 10.8137 11.2724 11.2724 11.4679 11.4679 11.9151 11.9151 12.6833 12.6833 13.0945 13.0945 13.4063 13.4063 13.9628 13.9628 14.6958 14.6958 15.0216 15.0216 15.5678 15.5678 15.9432 15.9432 k = 0.0000 0.5947 0.4144 ( 3748 PWs) bands (ev): -77.9526 -77.9526 -77.9061 -77.9061 -44.8251 -44.8251 -44.7197 -44.7197 -31.4982 -31.4982 -31.2063 -31.2063 -31.1998 -31.1998 -31.0790 -31.0790 9.0383 9.0383 9.8402 9.8402 9.9611 9.9611 10.1706 10.1706 10.3092 10.3092 10.7947 10.7947 11.2872 11.2872 11.4577 11.4577 11.9349 11.9349 12.7125 12.7125 13.1206 13.1206 13.4328 13.4328 14.0061 14.0061 14.7040 14.7040 15.0501 15.0501 15.5002 15.5002 15.8997 15.8997 k = 0.0000 0.6085 0.4144 ( 3746 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2057 -31.2057 -31.2007 -31.2007 -31.0795 -31.0795 9.0501 9.0501 9.8494 9.8494 9.9648 9.9648 10.1548 10.1548 10.2967 10.2967 10.7778 10.7778 11.3000 11.3000 11.4473 11.4473 11.9515 11.9515 12.7413 12.7413 13.1429 13.1429 13.4533 13.4533 14.0437 14.0437 14.7092 14.7092 15.0774 15.0774 15.4363 15.4363 15.8640 15.8640 k = 0.0000 0.6085 0.4144 ( 3746 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2057 -31.2057 -31.2007 -31.2007 -31.0795 -31.0795 9.0501 9.0501 9.8494 9.8494 9.9648 9.9648 10.1548 10.1548 10.2967 10.2967 10.7778 10.7778 11.3000 11.3000 11.4473 11.4473 11.9515 11.9515 12.7413 12.7413 13.1429 13.1429 13.4533 13.4533 14.0437 14.0437 14.7092 14.7092 15.0774 15.0774 15.4363 15.4363 15.8640 15.8640 k = 0.0000 0.6140 0.4029 ( 3752 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4977 -31.4977 -31.2055 -31.2055 -31.2010 -31.2010 -31.0797 -31.0797 9.0455 9.0455 9.8541 9.8541 9.9679 9.9679 10.1360 10.1360 10.2903 10.2903 10.7662 10.7662 11.2995 11.2995 11.4274 11.4274 11.9586 11.9586 12.7670 12.7670 13.1479 13.1479 13.4590 13.4590 14.0708 14.0708 14.7121 14.7121 15.0889 15.0889 15.4104 15.4104 15.8594 15.8594 k = 0.0000 0.6194 0.3913 ( 3755 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8249 -44.8249 -44.7200 -44.7200 -31.4976 -31.4976 -31.2052 -31.2052 -31.2013 -31.2013 -31.0798 -31.0798 9.0409 9.0409 9.8589 9.8589 9.9712 9.9712 10.1173 10.1173 10.2849 10.2849 10.7560 10.7560 11.2998 11.2998 11.4090 11.4090 11.9655 11.9655 12.7905 12.7905 13.1522 13.1522 13.4643 13.4643 14.0955 14.0955 14.7142 14.7142 15.0999 15.0999 15.3858 15.3858 15.8557 15.8557 k = 0.0000 0.6249 0.3797 ( 3751 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7200 -44.7200 -31.4975 -31.4975 -31.2050 -31.2050 -31.2016 -31.2016 -31.0799 -31.0799 9.0364 9.0364 9.8636 9.8636 9.9747 9.9747 10.0992 10.0992 10.2804 10.2804 10.7473 10.7473 11.3008 11.3008 11.3924 11.3924 11.9719 11.9719 12.8117 12.8117 13.1558 13.1558 13.4691 13.4691 14.1174 14.1174 14.7156 14.7156 15.1105 15.1105 15.3629 15.3629 15.8529 15.8529 k = 0.0000 0.6304 0.3682 ( 3751 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7200 -44.7200 -31.4974 -31.4974 -31.2047 -31.2047 -31.2018 -31.2018 -31.0800 -31.0800 9.0322 9.0322 9.8680 9.8680 9.9786 9.9786 10.0819 10.0819 10.2767 10.2767 10.7399 10.7399 11.3026 11.3026 11.3775 11.3775 11.9776 11.9776 12.8301 12.8301 13.1587 13.1587 13.4733 13.4733 14.1364 14.1364 14.7164 14.7164 15.1204 15.1204 15.3418 15.3418 15.8509 15.8509 k = 0.0000 0.6358 0.3566 ( 3755 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7201 -44.7201 -31.4974 -31.4974 -31.2045 -31.2045 -31.2021 -31.2021 -31.0801 -31.0801 9.0285 9.0285 9.8721 9.8721 9.9831 9.9831 10.0655 10.0655 10.2737 10.2737 10.7339 10.7339 11.3051 11.3051 11.3642 11.3642 11.9826 11.9826 12.8456 12.8456 13.1610 13.1610 13.4769 13.4769 14.1522 14.1522 14.7168 14.7168 15.1298 15.1298 15.3230 15.3230 15.8494 15.8494 k = 0.0000 0.6413 0.3450 ( 3755 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7201 -44.7201 -31.4973 -31.4973 -31.2042 -31.2042 -31.2024 -31.2024 -31.0802 -31.0802 9.0255 9.0255 9.8755 9.8755 9.9886 9.9886 10.0503 10.0503 10.2714 10.2714 10.7292 10.7292 11.3084 11.3084 11.3527 11.3527 11.9866 11.9866 12.8579 12.8579 13.1627 13.1627 13.4797 13.4797 14.1647 14.1647 14.7168 14.7168 15.1382 15.1382 15.3070 15.3070 15.8485 15.8485 k = 0.0000 0.6467 0.3334 ( 3751 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8248 -44.8248 -44.7201 -44.7201 -31.4973 -31.4973 -31.2040 -31.2040 -31.2026 -31.2026 -31.0802 -31.0802 9.0233 9.0233 9.8782 9.8782 9.9952 9.9952 10.0366 10.0366 10.2698 10.2698 10.7259 10.7259 11.3123 11.3123 11.3429 11.3429 11.9895 11.9895 12.8669 12.8669 13.1639 13.1639 13.4819 13.4819 14.1737 14.1737 14.7167 14.7167 15.1451 15.1451 15.2946 15.2946 15.8479 15.8479 k = 0.0000 0.6522 0.3219 ( 3752 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8248 -44.8248 -44.7201 -44.7201 -31.4972 -31.4972 -31.2038 -31.2038 -31.2028 -31.2028 -31.0803 -31.0803 9.0220 9.0220 9.8799 9.8799 10.0028 10.0028 10.0244 10.0244 10.2689 10.2689 10.7239 10.7239 11.3165 11.3165 11.3352 11.3352 11.9913 11.9913 12.8723 12.8723 13.1646 13.1646 13.4831 13.4831 14.1792 14.1792 14.7166 14.7166 15.1498 15.1498 15.2865 15.2865 15.8476 15.8476 k = 0.0000 0.6577 0.3103 ( 3752 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7201 -44.7201 -31.4972 -31.4972 -31.2037 -31.2037 -31.2029 -31.2029 -31.0803 -31.0803 9.0215 9.0215 9.8804 9.8804 10.0092 10.0092 10.0165 10.0165 10.2686 10.2686 10.7233 10.7233 11.3190 11.3190 11.3315 11.3315 11.9919 11.9919 12.8741 12.8741 13.1648 13.1648 13.4836 13.4836 14.1810 14.1810 14.7166 14.7166 15.1515 15.1515 15.2836 15.2836 15.8475 15.8475 k = 0.0000 0.6577 0.3103 ( 3752 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7201 -44.7201 -31.4972 -31.4972 -31.2037 -31.2037 -31.2029 -31.2029 -31.0803 -31.0803 9.0215 9.0215 9.8804 9.8804 10.0092 10.0092 10.0165 10.0165 10.2686 10.2686 10.7233 10.7233 11.3190 11.3190 11.3315 11.3315 11.9919 11.9919 12.8741 12.8741 13.1648 13.1648 13.4836 13.4836 14.1810 14.1810 14.7166 14.7166 15.1515 15.1515 15.2836 15.2836 15.8475 15.8475 k = 0.0139 0.6577 0.3103 ( 3752 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8248 -44.8248 -44.7201 -44.7201 -31.4972 -31.4972 -31.2040 -31.2040 -31.2027 -31.2027 -31.0801 -31.0801 9.0201 9.0201 9.8772 9.8772 10.0024 10.0024 10.0207 10.0207 10.2684 10.2684 10.7295 10.7295 11.2610 11.2610 11.3918 11.3918 11.9896 11.9896 12.8749 12.8749 13.1672 13.1672 13.4837 13.4837 14.1789 14.1789 14.7156 14.7156 15.1522 15.1522 15.2836 15.2836 15.8530 15.8530 k = 0.0278 0.6577 0.3103 ( 3750 PWs) bands (ev): -77.9524 -77.9524 -77.9063 -77.9063 -44.8246 -44.8246 -44.7203 -44.7203 -31.4970 -31.4970 -31.2050 -31.2050 -31.2023 -31.2023 -31.0797 -31.0797 9.0159 9.0159 9.8656 9.8656 9.9945 9.9945 10.0234 10.0234 10.2680 10.2680 10.7471 10.7471 11.2006 11.2006 11.4595 11.4595 11.9828 11.9828 12.8768 12.8768 13.1744 13.1744 13.4843 13.4843 14.1728 14.1728 14.7129 14.7129 15.1542 15.1542 15.2838 15.2838 15.8692 15.8692 k = 0.0417 0.6577 0.3103 ( 3750 PWs) bands (ev): -77.9523 -77.9523 -77.9064 -77.9064 -44.8244 -44.8244 -44.7205 -44.7205 -31.4966 -31.4966 -31.2067 -31.2067 -31.2016 -31.2016 -31.0791 -31.0791 9.0092 9.0092 9.8430 9.8430 9.9914 9.9914 10.0229 10.0229 10.2674 10.2674 10.7728 10.7728 11.1454 11.1454 11.5280 11.5280 11.9721 11.9721 12.8797 12.8797 13.1863 13.1863 13.4853 13.4853 14.1629 14.1629 14.7082 14.7082 15.1571 15.1571 15.2849 15.2849 15.8954 15.8954 k = 0.0556 0.6577 0.3103 ( 3748 PWs) bands (ev): -77.9522 -77.9522 -77.9065 -77.9065 -44.8240 -44.8240 -44.7209 -44.7209 -31.4962 -31.4962 -31.2089 -31.2089 -31.2007 -31.2007 -31.0782 -31.0782 9.0002 9.0002 9.8093 9.8093 9.9916 9.9916 10.0227 10.0227 10.2670 10.2670 10.8007 10.8007 11.0989 11.0989 11.5965 11.5965 11.9584 11.9584 12.8833 12.8833 13.2025 13.2025 13.4874 13.4874 14.1498 14.1498 14.7018 14.7018 15.1604 15.1604 15.2880 15.2880 15.9306 15.9306 k = 0.0694 0.6577 0.3103 ( 3752 PWs) bands (ev): -77.9520 -77.9520 -77.9067 -77.9067 -44.8236 -44.8236 -44.7214 -44.7214 -31.4956 -31.4956 -31.2117 -31.2117 -31.1994 -31.1994 -31.0772 -31.0772 8.9891 8.9891 9.7671 9.7671 9.9871 9.9871 10.0299 10.0299 10.2670 10.2670 10.8220 10.8220 11.0681 11.0681 11.6639 11.6639 11.9429 11.9429 12.8869 12.8869 13.2227 13.2227 13.4909 13.4909 14.1339 14.1339 14.6936 14.6936 15.1633 15.1633 15.2938 15.2938 15.9738 15.9738 k = 0.0833 0.6577 0.3103 ( 3752 PWs) bands (ev): -77.9517 -77.9517 -77.9070 -77.9070 -44.8231 -44.8231 -44.7219 -44.7219 -31.4949 -31.4949 -31.2150 -31.2150 -31.1980 -31.1980 -31.0761 -31.0761 8.9765 8.9765 9.7194 9.7194 9.9753 9.9753 10.0450 10.0450 10.2677 10.2677 10.8254 10.8254 11.0619 11.0619 11.7281 11.7281 11.9283 11.9283 12.8906 12.8906 13.2459 13.2459 13.4965 13.4965 14.1160 14.1160 14.6839 14.6839 15.1655 15.1655 15.3031 15.3031 16.0238 16.0238 k = 0.0972 0.6577 0.3103 ( 3754 PWs) bands (ev): -77.9515 -77.9515 -77.9073 -77.9073 -44.8225 -44.8225 -44.7226 -44.7226 -31.4940 -31.4940 -31.2187 -31.2187 -31.1963 -31.1963 -31.0748 -31.0748 8.9625 8.9625 9.6684 9.6684 9.9589 9.9589 10.0635 10.0635 10.2700 10.2700 10.8084 10.8084 11.0815 11.0815 11.7836 11.7836 11.9205 11.9205 12.8941 12.8941 13.2712 13.2712 13.5053 13.5053 14.0966 14.0966 14.6727 14.6727 15.1669 15.1669 15.3161 15.3161 16.0795 16.0795 k = 0.1111 0.6577 0.3103 ( 3762 PWs) bands (ev): -77.9511 -77.9511 -77.9076 -77.9076 -44.8218 -44.8218 -44.7233 -44.7233 -31.4931 -31.4931 -31.2229 -31.2229 -31.1943 -31.1943 -31.0735 -31.0735 8.9475 8.9475 9.6154 9.6154 9.9394 9.9394 10.0816 10.0816 10.2749 10.2749 10.7796 10.7796 11.1168 11.1168 11.8166 11.8166 11.9342 11.9342 12.8976 12.8976 13.2972 13.2972 13.5182 13.5182 14.0763 14.0763 14.6602 14.6602 15.1678 15.1678 15.3325 15.3325 16.1397 16.1397 k = 0.1250 0.6577 0.3103 ( 3768 PWs) bands (ev): -77.9508 -77.9508 -77.9080 -77.9080 -44.8210 -44.8210 -44.7242 -44.7242 -31.4919 -31.4919 -31.2275 -31.2275 -31.1921 -31.1921 -31.0722 -31.0722 8.9319 8.9319 9.5615 9.5615 9.9178 9.9178 10.0963 10.0963 10.2835 10.2835 10.7479 10.7479 11.1579 11.1579 11.8210 11.8210 11.9761 11.9761 12.9014 12.9014 13.3227 13.3227 13.5364 13.5364 14.0557 14.0557 14.6467 14.6467 15.1687 15.1687 15.3518 15.3518 16.2033 16.2033 k = 0.1389 0.6577 0.3103 ( 3768 PWs) bands (ev): -77.9504 -77.9504 -77.9084 -77.9084 -44.8201 -44.8201 -44.7251 -44.7251 -31.4906 -31.4906 -31.2324 -31.2324 -31.1897 -31.1897 -31.0709 -31.0709 8.9158 8.9158 9.5076 9.5076 9.8944 9.8944 10.1052 10.1052 10.2963 10.2963 10.7187 10.7187 11.1983 11.1983 11.8141 11.8141 12.0300 12.0300 12.9057 12.9057 13.3469 13.3469 13.5603 13.5603 14.0353 14.0353 14.6324 14.6324 15.1699 15.1699 15.3737 15.3737 16.2691 16.2691 k = 0.1528 0.6577 0.3103 ( 3764 PWs) bands (ev): -77.9499 -77.9499 -77.9088 -77.9088 -44.8190 -44.8190 -44.7262 -44.7262 -31.4892 -31.4892 -31.2376 -31.2376 -31.1871 -31.1871 -31.0696 -31.0696 8.8995 8.8995 9.4540 9.4540 9.8698 9.8698 10.1072 10.1072 10.3121 10.3121 10.6958 10.6958 11.2340 11.2340 11.8072 11.8072 12.0856 12.0856 12.9110 12.9110 13.3697 13.3697 13.5900 13.5900 14.0158 14.0158 14.6176 14.6176 15.1718 15.1718 15.3976 15.3976 16.3355 16.3355 k = 0.1667 0.6577 0.3103 ( 3754 PWs) bands (ev): -77.9494 -77.9494 -77.9093 -77.9093 -44.8179 -44.8179 -44.7272 -44.7272 -31.4876 -31.4876 -31.2431 -31.2431 -31.1842 -31.1842 -31.0684 -31.0684 8.8833 8.8833 9.4012 9.4012 9.8444 9.8444 10.1023 10.1023 10.3283 10.3283 10.6821 10.6821 11.2619 11.2619 11.8051 11.8051 12.1394 12.1394 12.9177 12.9177 13.3917 13.3917 13.6242 13.6242 13.9975 13.9975 14.6027 14.6027 15.1748 15.1748 15.4232 15.4232 16.3988 16.3988 k = 0.1806 0.6577 0.3103 ( 3760 PWs) bands (ev): -77.9489 -77.9489 -77.9098 -77.9098 -44.8168 -44.8168 -44.7285 -44.7285 -31.4858 -31.4858 -31.2488 -31.2488 -31.1812 -31.1812 -31.0673 -31.0673 8.8671 8.8671 9.3496 9.3496 9.8185 9.8185 10.0916 10.0916 10.3414 10.3414 10.6799 10.6799 11.2801 11.2801 11.8095 11.8095 12.1897 12.1897 12.9263 12.9263 13.4140 13.4140 13.6613 13.6613 13.9813 13.9813 14.5878 14.5878 15.1789 15.1789 15.4502 15.4502 16.4437 16.4437 k = 0.1944 0.6577 0.3103 ( 3764 PWs) bands (ev): -77.9484 -77.9484 -77.9104 -77.9104 -44.8155 -44.8155 -44.7298 -44.7298 -31.4839 -31.4839 -31.2548 -31.2548 -31.1781 -31.1781 -31.0664 -31.0664 8.8511 8.8511 9.2993 9.2993 9.7924 9.7924 10.0760 10.0760 10.3493 10.3493 10.6902 10.6902 11.2883 11.2883 11.8209 11.8209 12.2357 12.2357 12.9371 12.9371 13.4376 13.4376 13.6992 13.6992 13.9683 13.9683 14.5734 14.5734 15.1846 15.1846 15.4783 15.4783 16.4479 16.4479 k = 0.2083 0.6577 0.3103 ( 3764 PWs) bands (ev): -77.9478 -77.9478 -77.9110 -77.9110 -44.8142 -44.8142 -44.7311 -44.7311 -31.4818 -31.4818 -31.2609 -31.2609 -31.1747 -31.1747 -31.0656 -31.0656 8.8355 8.8355 9.2505 9.2505 9.7665 9.7665 10.0563 10.0563 10.3520 10.3520 10.7118 10.7118 11.2878 11.2878 11.8379 11.8379 12.2771 12.2771 12.9505 12.9505 13.4633 13.4633 13.7345 13.7345 13.9609 13.9609 14.5600 14.5600 15.1918 15.1918 15.5075 15.5075 16.4370 16.4370 k = 0.2222 0.6577 0.3103 ( 3764 PWs) bands (ev): -77.9471 -77.9471 -77.9116 -77.9116 -44.8128 -44.8128 -44.7326 -44.7326 -31.4795 -31.4795 -31.2671 -31.2671 -31.1712 -31.1712 -31.0649 -31.0649 8.8204 8.8204 9.2035 9.2035 9.7410 9.7410 10.0335 10.0335 10.3507 10.3507 10.7417 10.7417 11.2809 11.2809 11.8583 11.8583 12.3136 12.3136 12.9668 12.9668 13.4915 13.4915 13.7630 13.7630 13.9625 13.9625 14.5478 14.5478 15.2007 15.2007 15.5376 15.5376 16.4237 16.4237 k = 0.2361 0.6577 0.3103 ( 3768 PWs) bands (ev): -77.9465 -77.9465 -77.9123 -77.9123 -44.8113 -44.8113 -44.7341 -44.7341 -31.4771 -31.4771 -31.2735 -31.2735 -31.1676 -31.1676 -31.0645 -31.0645 8.8057 8.8057 9.1582 9.1582 9.7162 9.7162 10.0081 10.0081 10.3472 10.3472 10.7761 10.7761 11.2708 11.2708 11.8799 11.8799 12.3456 12.3456 12.9859 12.9859 13.5220 13.5220 13.7798 13.7798 13.9774 13.9774 14.5375 14.5375 15.2114 15.2114 15.5687 15.5687 16.4100 16.4100 k = 0.2500 0.6577 0.3103 ( 3776 PWs) bands (ev): -77.9458 -77.9458 -77.9130 -77.9130 -44.8098 -44.8098 -44.7357 -44.7357 -31.4745 -31.4745 -31.2800 -31.2800 -31.1639 -31.1639 -31.0642 -31.0642 8.7915 8.7915 9.1148 9.1148 9.6924 9.6924 9.9808 9.9808 10.3431 10.3431 10.8108 10.8108 11.2610 11.2610 11.9005 11.9005 12.3733 12.3733 13.0078 13.0078 13.5544 13.5544 13.7838 13.7838 14.0061 14.0061 14.5295 14.5295 15.2238 15.2238 15.6008 15.6008 16.3962 16.3962 k = 0.2639 0.6577 0.3103 ( 3788 PWs) bands (ev): -77.9451 -77.9451 -77.9138 -77.9138 -44.8082 -44.8082 -44.7374 -44.7374 -31.4718 -31.4718 -31.2867 -31.2867 -31.1601 -31.1601 -31.0641 -31.0641 8.7779 8.7779 9.0734 9.0734 9.6697 9.6697 9.9522 9.9522 10.3391 10.3391 10.8416 10.8416 11.2555 11.2555 11.9188 11.9188 12.3974 12.3974 13.0323 13.0323 13.5875 13.5875 13.7783 13.7783 14.0454 14.0454 14.5245 14.5245 15.2379 15.2379 15.6339 15.6339 16.3821 16.3821 k = 0.2778 0.6577 0.3103 ( 3788 PWs) bands (ev): -77.9443 -77.9443 -77.9145 -77.9145 -44.8065 -44.8065 -44.7392 -44.7392 -31.4688 -31.4688 -31.2933 -31.2933 -31.1561 -31.1561 -31.0642 -31.0642 8.7650 8.7650 9.0341 9.0341 9.6484 9.6484 9.9229 9.9229 10.3360 10.3360 10.8642 10.8642 11.2585 11.2585 11.9338 11.9338 12.4186 12.4186 13.0589 13.0589 13.6197 13.6197 13.7675 13.7675 14.0911 14.0911 14.5231 14.5231 15.2537 15.2537 15.6682 15.6682 16.3675 16.3675 k = 0.2917 0.6577 0.3103 ( 3788 PWs) bands (ev): -77.9435 -77.9435 -77.9153 -77.9153 -44.8048 -44.8048 -44.7410 -44.7410 -31.4657 -31.4657 -31.3000 -31.3000 -31.1521 -31.1521 -31.0645 -31.0645 8.7527 8.7527 8.9968 8.9968 9.6286 9.6286 9.8934 9.8934 10.3341 10.3341 10.8752 10.8752 11.2729 11.2729 11.9452 11.9452 12.4377 12.4377 13.0869 13.0869 13.6479 13.6479 13.7556 13.7556 14.1405 14.1405 14.5261 14.5261 15.2710 15.2710 15.7038 15.7038 16.3518 16.3518 k = 0.3056 0.6577 0.3103 ( 3790 PWs) bands (ev): -77.9427 -77.9427 -77.9162 -77.9162 -44.8030 -44.8030 -44.7428 -44.7428 -31.4623 -31.4623 -31.3067 -31.3067 -31.1481 -31.1481 -31.0650 -31.0650 8.7411 8.7411 8.9617 8.9617 9.6105 9.6105 9.8639 9.8639 10.3336 10.3336 10.8739 10.8739 11.2994 11.2994 11.9528 11.9528 12.4556 12.4556 13.1156 13.1156 13.6661 13.6661 13.7489 13.7489 14.1920 14.1920 14.5340 14.5340 15.2896 15.2896 15.7408 15.7408 16.3348 16.3348 k = 0.3194 0.6577 0.3103 ( 3792 PWs) bands (ev): -77.9419 -77.9419 -77.9170 -77.9170 -44.8011 -44.8011 -44.7447 -44.7447 -31.4588 -31.4588 -31.3135 -31.3135 -31.1440 -31.1440 -31.0657 -31.0657 8.7303 8.7303 8.9286 8.9286 9.5942 9.5942 9.8348 9.8348 10.3345 10.3345 10.8619 10.8619 11.3360 11.3360 11.9568 11.9568 12.4730 12.4730 13.1439 13.1439 13.6670 13.6670 13.7541 13.7541 14.2445 14.2445 14.5475 14.5475 15.3095 15.3095 15.7793 15.7793 16.3158 16.3158 k = 0.3333 0.6577 0.3103 ( 3790 PWs) bands (ev): -77.9410 -77.9410 -77.9179 -77.9179 -44.7992 -44.7992 -44.7467 -44.7467 -31.4551 -31.4551 -31.3203 -31.3203 -31.1399 -31.1399 -31.0667 -31.0667 8.7203 8.7203 8.8977 8.8977 9.5798 9.5798 9.8064 9.8064 10.3370 10.3370 10.8421 10.8421 11.3795 11.3795 11.9576 11.9576 12.4908 12.4908 13.1707 13.1707 13.6540 13.6540 13.7679 13.7679 14.2972 14.2972 14.5666 14.5666 15.3305 15.3305 15.8195 15.8195 16.2945 16.2945 k = 0.3472 0.6577 0.3103 ( 3786 PWs) bands (ev): -77.9401 -77.9401 -77.9188 -77.9188 -44.7972 -44.7972 -44.7487 -44.7487 -31.4512 -31.4512 -31.3270 -31.3270 -31.1357 -31.1357 -31.0678 -31.0678 8.7111 8.7111 8.8689 8.8689 9.5674 9.5674 9.7788 9.7788 10.3410 10.3410 10.8171 10.8171 11.4267 11.4267 11.9557 11.9557 12.5100 12.5100 13.1945 13.1945 13.6356 13.6356 13.7820 13.7820 14.3495 14.3495 14.5911 14.5911 15.3528 15.3528 15.8614 15.8614 16.2705 16.2705 k = 0.3611 0.6577 0.3103 ( 3786 PWs) bands (ev): -77.9392 -77.9392 -77.9197 -77.9197 -44.7951 -44.7951 -44.7508 -44.7508 -31.4472 -31.4472 -31.3337 -31.3337 -31.1316 -31.1316 -31.0692 -31.0692 8.7029 8.7029 8.8423 8.8423 9.5570 9.5570 9.7523 9.7523 10.3468 10.3468 10.7888 10.7888 11.4755 11.4755 11.9513 11.9513 12.5312 12.5312 13.2132 13.2132 13.6168 13.6168 13.7928 13.7928 14.4008 14.4008 14.6204 14.6204 15.3764 15.3764 15.9050 15.9050 16.2435 16.2435 k = 0.3750 0.6577 0.3103 ( 3782 PWs) bands (ev): -77.9383 -77.9383 -77.9206 -77.9206 -44.7930 -44.7930 -44.7529 -44.7529 -31.4429 -31.4429 -31.3404 -31.3404 -31.1275 -31.1275 -31.0707 -31.0707 8.6957 8.6957 8.8177 8.8177 9.5486 9.5486 9.7269 9.7269 10.3542 10.3542 10.7587 10.7587 11.5238 11.5238 11.9448 11.9448 12.5552 12.5552 13.2246 13.2246 13.6009 13.6009 13.7990 13.7990 14.4507 14.4507 14.6528 14.6528 15.4017 15.4017 15.9503 15.9503 16.2132 16.2132 k = 0.3889 0.6577 0.3103 ( 3782 PWs) bands (ev): -77.9373 -77.9373 -77.9215 -77.9215 -44.7909 -44.7909 -44.7550 -44.7550 -31.4385 -31.4385 -31.3470 -31.3470 -31.1234 -31.1234 -31.0725 -31.0725 8.6895 8.6895 8.7953 8.7953 9.5423 9.5423 9.7028 9.7028 10.3632 10.3632 10.7276 10.7276 11.5705 11.5705 11.9367 11.9367 12.5826 12.5826 13.2264 13.2264 13.5904 13.5904 13.8005 13.8005 14.4988 14.4988 14.6865 14.6865 15.4291 15.4291 15.9968 15.9968 16.1797 16.1797 k = 0.4028 0.6577 0.3103 ( 3776 PWs) bands (ev): -77.9364 -77.9364 -77.9225 -77.9225 -44.7887 -44.7887 -44.7572 -44.7572 -31.4339 -31.4339 -31.3536 -31.3536 -31.1194 -31.1194 -31.0745 -31.0745 8.6845 8.6845 8.7750 8.7750 9.5381 9.5381 9.6801 9.6801 10.3741 10.3741 10.6963 10.6963 11.6145 11.6145 11.9272 11.9272 12.6139 12.6139 13.2170 13.2170 13.5872 13.5872 13.7976 13.7976 14.5449 14.5449 14.7191 14.7191 15.4595 15.4595 16.0433 16.0433 16.1442 16.1442 k = 0.4167 0.6577 0.3103 ( 3780 PWs) bands (ev): -77.9354 -77.9354 -77.9234 -77.9234 -44.7865 -44.7865 -44.7594 -44.7594 -31.4291 -31.4291 -31.3601 -31.3601 -31.1154 -31.1154 -31.0767 -31.0767 8.6807 8.6807 8.7567 8.7567 9.5359 9.5359 9.6588 9.6588 10.3866 10.3866 10.6652 10.6652 11.6552 11.6552 11.9164 11.9164 12.6493 12.6493 13.1963 13.1963 13.5914 13.5914 13.7907 13.7907 14.5887 14.5887 14.7484 14.7484 15.4935 15.4935 16.0747 16.0747 16.1214 16.1214 k = 0.4306 0.6577 0.3103 ( 3780 PWs) bands (ev): -77.9344 -77.9344 -77.9244 -77.9244 -44.7843 -44.7843 -44.7617 -44.7617 -31.4241 -31.4241 -31.3665 -31.3665 -31.1115 -31.1115 -31.0791 -31.0791 8.6782 8.6782 8.7404 8.7404 9.5358 9.5358 9.6389 9.6389 10.4010 10.4010 10.6347 10.6347 11.6923 11.6923 11.9045 11.9045 12.6888 12.6888 13.1657 13.1657 13.6021 13.6021 13.7806 13.7806 14.6299 14.6299 14.7724 14.7724 15.5318 15.5318 16.0457 16.0457 16.1567 16.1567 k = 0.4444 0.6577 0.3103 ( 3780 PWs) bands (ev): -77.9335 -77.9335 -77.9254 -77.9254 -44.7821 -44.7821 -44.7639 -44.7639 -31.4190 -31.4190 -31.3729 -31.3729 -31.1077 -31.1077 -31.0816 -31.0816 8.6771 8.6771 8.7261 8.7261 9.5376 9.5376 9.6207 9.6207 10.4170 10.4170 10.6050 10.6050 11.7256 11.7256 11.8915 11.8915 12.7321 12.7321 13.1272 13.1272 13.6173 13.6173 13.7675 13.7675 14.6681 14.6681 14.7893 14.7893 15.5746 15.5746 15.9992 15.9992 16.2071 16.2071 k = 0.4583 0.6577 0.3103 ( 3780 PWs) bands (ev): -77.9325 -77.9325 -77.9264 -77.9264 -44.7798 -44.7798 -44.7662 -44.7662 -31.4138 -31.4138 -31.3791 -31.3791 -31.1040 -31.1040 -31.0843 -31.0843 8.6774 8.6774 8.7137 8.7137 9.5415 9.5415 9.6041 9.6041 10.4349 10.4349 10.5764 10.5764 11.7554 11.7554 11.8774 11.8774 12.7788 12.7788 13.0829 13.0829 13.6356 13.6356 13.7522 13.7522 14.7027 14.7027 14.7985 14.7985 15.6218 15.6218 15.9480 15.9480 16.2598 16.2599 k = 0.4722 0.6577 0.3103 ( 3782 PWs) bands (ev): -77.9315 -77.9315 -77.9274 -77.9274 -44.7775 -44.7775 -44.7684 -44.7684 -31.4083 -31.4083 -31.3852 -31.3852 -31.1004 -31.1004 -31.0872 -31.0872 8.6792 8.6792 8.7032 8.7032 9.5473 9.5473 9.5892 9.5892 10.4545 10.4545 10.5491 10.5491 11.7818 11.7818 11.8619 11.8619 12.8282 12.8282 13.0346 13.0346 13.6554 13.6554 13.7349 13.7349 14.7332 14.7332 14.7996 14.7996 15.6728 15.6728 15.8942 15.8942 16.3133 16.3133 k = 0.4861 0.6577 0.3103 ( 3776 PWs) bands (ev): -77.9304 -77.9304 -77.9284 -77.9284 -44.7752 -44.7752 -44.7707 -44.7707 -31.4027 -31.4027 -31.3912 -31.3912 -31.0969 -31.0969 -31.0903 -31.0903 8.6827 8.6827 8.6946 8.6946 9.5551 9.5551 9.5760 9.5760 10.4757 10.4757 10.5231 10.5231 11.8053 11.8053 11.8450 11.8450 12.8795 12.8795 12.9838 12.9838 13.6759 13.6759 13.7161 13.7161 14.7590 14.7590 14.7929 14.7929 15.7268 15.7268 15.8386 15.8386 16.3668 16.3668 k = 0.5000 0.6577 0.3103 ( 3768 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3970 -31.3970 -31.3970 -31.3970 -31.0935 -31.0935 -31.0935 -31.0935 8.6878 8.6878 8.6878 8.6878 9.5646 9.5646 9.5646 9.5646 10.4986 10.4986 10.4986 10.4986 11.8262 11.8262 11.8262 11.8262 12.9317 12.9317 12.9317 12.9317 13.6963 13.6963 13.6963 13.6963 14.7791 14.7791 14.7791 14.7791 15.7824 15.7824 15.7824 15.7824 16.4198 16.4198 k = 0.5000 0.6577 0.3103 ( 3768 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3970 -31.3970 -31.3970 -31.3970 -31.0935 -31.0935 -31.0935 -31.0935 8.6878 8.6878 8.6878 8.6878 9.5646 9.5646 9.5646 9.5646 10.4986 10.4986 10.4986 10.4986 11.8262 11.8262 11.8262 11.8262 12.9317 12.9317 12.9317 12.9317 13.6963 13.6963 13.6963 13.6963 14.7791 14.7791 14.7791 14.7791 15.7824 15.7824 15.7824 15.7824 16.4198 16.4198 k = 0.5000 0.6631 0.2987 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3973 -31.3973 -31.3967 -31.3967 -31.0938 -31.0938 -31.0932 -31.0932 8.6885 8.6885 8.6886 8.6886 9.5631 9.5631 9.5683 9.5683 10.4975 10.4975 10.5015 10.5015 11.8220 11.8220 11.8310 11.8310 12.9255 12.9255 12.9347 12.9347 13.6850 13.6850 13.7060 13.7060 14.7663 14.7663 14.7839 14.7839 15.7674 15.7674 15.7910 15.7910 16.4178 16.4179 k = 0.5000 0.6686 0.2871 ( 3776 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3975 -31.3975 -31.3965 -31.3965 -31.0941 -31.0941 -31.0929 -31.0929 8.6906 8.6906 8.6908 8.6908 9.5636 9.5636 9.5740 9.5740 10.4983 10.4983 10.5063 10.5063 11.8183 11.8183 11.8365 11.8365 12.9162 12.9162 12.9344 12.9344 13.6723 13.6723 13.7140 13.7140 14.7462 14.7462 14.7806 14.7806 15.7464 15.7464 15.7917 15.7917 16.4186 16.4186 k = 0.5000 0.6740 0.2756 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3978 -31.3978 -31.3962 -31.3962 -31.0944 -31.0944 -31.0927 -31.0927 8.6942 8.6942 8.6945 8.6945 9.5662 9.5662 9.5819 9.5819 10.5008 10.5008 10.5129 10.5129 11.8151 11.8151 11.8425 11.8425 12.9040 12.9040 12.9306 12.9306 13.6583 13.6583 13.7199 13.7199 14.7198 14.7198 14.7696 14.7696 15.7192 15.7192 15.7829 15.7829 16.4230 16.4231 k = 0.5000 0.6795 0.2640 ( 3770 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3980 -31.3980 -31.3958 -31.3958 -31.0947 -31.0947 -31.0924 -31.0924 8.6992 8.6992 8.6997 8.6997 9.5708 9.5708 9.5920 9.5920 10.5052 10.5052 10.5213 10.5213 11.8123 11.8123 11.8492 11.8492 12.8892 12.8892 12.9232 12.9232 13.6432 13.6432 13.7237 13.7237 14.6885 14.6885 14.7519 14.7519 15.6851 15.6851 15.7628 15.7628 16.4316 16.4316 k = 0.5000 0.6850 0.2524 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3983 -31.3983 -31.3955 -31.3955 -31.0950 -31.0950 -31.0922 -31.0922 8.7054 8.7054 8.7062 8.7062 9.5773 9.5773 9.6041 9.6041 10.5113 10.5113 10.5314 10.5314 11.8097 11.8097 11.8565 11.8565 12.8720 12.8720 12.9122 12.9122 13.6268 13.6268 13.7249 13.7249 14.6537 14.6537 14.7286 14.7286 15.6429 15.6429 15.7306 15.7306 16.4441 16.4442 k = 0.5000 0.6904 0.2408 ( 3772 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3985 -31.3985 -31.3952 -31.3952 -31.0953 -31.0953 -31.0919 -31.0919 8.7130 8.7130 8.7142 8.7142 9.5859 9.5859 9.6183 9.6183 10.5192 10.5192 10.5433 10.5433 11.8074 11.8074 11.8644 11.8644 12.8524 12.8524 12.8975 12.8975 13.6092 13.6092 13.7233 13.7233 14.6167 14.6167 14.7013 14.7013 15.5920 15.5920 15.6862 15.6862 16.4596 16.4598 k = 0.5000 0.6959 0.2293 ( 3772 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3987 -31.3987 -31.3949 -31.3949 -31.0956 -31.0956 -31.0917 -31.0917 8.7218 8.7218 8.7234 8.7234 9.5963 9.5963 9.6347 9.6347 10.5287 10.5287 10.5568 10.5568 11.8050 11.8050 11.8727 11.8727 12.8308 12.8308 12.8791 12.8791 13.5905 13.5905 13.7188 13.7188 14.5789 14.5789 14.6714 14.6714 15.5321 15.5321 15.6305 15.6305 16.4711 16.4711 k = 0.5000 0.7013 0.2177 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3989 -31.3989 -31.3946 -31.3946 -31.0960 -31.0960 -31.0914 -31.0914 8.7318 8.7318 8.7339 8.7339 9.6087 9.6087 9.6530 9.6530 10.5398 10.5398 10.5719 10.5719 11.8025 11.8025 11.8815 11.8815 12.8071 12.8071 12.8571 12.8571 13.5706 13.5706 13.7113 13.7113 14.5413 14.5413 14.6400 14.6400 15.4632 15.4632 15.5648 15.5648 16.4806 16.4806 k = 0.5000 0.7068 0.2061 ( 3780 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3991 -31.3991 -31.3942 -31.3942 -31.0963 -31.0963 -31.0912 -31.0912 8.7428 8.7428 8.7457 8.7457 9.6228 9.6228 9.6734 9.6734 10.5525 10.5525 10.5886 10.5886 11.7997 11.7997 11.8905 11.8905 12.7818 12.7818 12.8317 12.8317 13.5496 13.5496 13.7006 13.7006 14.5046 14.5046 14.6084 14.6084 15.3862 15.3862 15.4906 15.4906 16.4891 16.4891 k = 0.5000 0.7068 0.2061 ( 3780 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3991 -31.3991 -31.3942 -31.3942 -31.0963 -31.0963 -31.0912 -31.0912 8.7428 8.7428 8.7457 8.7457 9.6228 9.6228 9.6734 9.6734 10.5525 10.5525 10.5886 10.5886 11.7997 11.7997 11.8905 11.8905 12.7818 12.7818 12.8317 12.8317 13.5496 13.5496 13.7006 13.7006 14.5046 14.5046 14.6084 14.6084 15.3862 15.3862 15.4906 15.4906 16.4891 16.4891 k = 0.5000 0.7047 0.1926 ( 3780 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3991 -31.3991 -31.3944 -31.3944 -31.0962 -31.0962 -31.0913 -31.0913 8.7541 8.7541 8.7573 8.7573 9.6425 9.6425 9.6958 9.6958 10.5659 10.5659 10.6037 10.6037 11.7998 11.7998 11.8949 11.8949 12.7657 12.7657 12.8122 12.8122 13.5390 13.5390 13.6813 13.6813 14.4560 14.4560 14.5464 14.5464 15.2907 15.2907 15.3904 15.3904 16.5305 16.5305 k = 0.5000 0.7025 0.1791 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3991 -31.3991 -31.3946 -31.3946 -31.0961 -31.0961 -31.0914 -31.0914 8.7665 8.7665 8.7700 8.7700 9.6645 9.6645 9.7204 9.7204 10.5810 10.5810 10.6206 10.6206 11.7995 11.7995 11.8993 11.8993 12.7468 12.7468 12.7895 12.7895 13.5251 13.5251 13.6587 13.6587 14.4071 14.4071 14.4846 14.4846 15.1918 15.1918 15.2875 15.2875 16.5685 16.5685 k = 0.5000 0.7004 0.1657 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3990 -31.3990 -31.3948 -31.3948 -31.0960 -31.0960 -31.0916 -31.0916 8.7800 8.7800 8.7839 8.7839 9.6886 9.6886 9.7474 9.7474 10.5979 10.5979 10.6394 10.6394 11.7985 11.7985 11.9035 11.9035 12.7251 12.7251 12.7634 12.7634 13.5079 13.5079 13.6331 13.6331 14.3591 14.3591 14.4246 14.4246 15.0909 15.0909 15.1832 15.1832 16.6032 16.6032 k = 0.5000 0.6983 0.1522 ( 3786 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3990 -31.3990 -31.3950 -31.3950 -31.0959 -31.0959 -31.0917 -31.0917 8.7944 8.7944 8.7987 8.7987 9.7147 9.7147 9.7765 9.7765 10.6165 10.6165 10.6600 10.6600 11.7968 11.7968 11.9071 11.9071 12.7006 12.7006 12.7343 12.7343 13.4873 13.4873 13.6048 13.6048 14.3126 14.3126 14.3675 14.3675 14.9892 14.9892 15.0785 15.0785 16.6347 16.6347 k = 0.5000 0.6961 0.1387 ( 3796 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3990 -31.3990 -31.3952 -31.3952 -31.0958 -31.0958 -31.0918 -31.0918 8.8094 8.8094 8.8142 8.8142 9.7427 9.7427 9.8076 9.8076 10.6369 10.6369 10.6823 10.6823 11.7939 11.7939 11.9099 11.9099 12.6734 12.6734 12.7021 12.7021 13.4635 13.4635 13.5744 13.5744 14.2680 14.2680 14.3141 14.3141 14.8875 14.8875 14.9743 14.9743 16.6633 16.6633 k = 0.5000 0.6940 0.1252 ( 3790 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3990 -31.3990 -31.3954 -31.3954 -31.0957 -31.0957 -31.0919 -31.0919 8.8251 8.8251 8.8303 8.8303 9.7726 9.7726 9.8407 9.8407 10.6590 10.6590 10.7064 10.7064 11.7896 11.7896 11.9116 11.9116 12.6437 12.6437 12.6673 12.6673 13.4366 13.4366 13.5427 13.5427 14.2256 14.2256 14.2651 14.2651 14.7867 14.7867 14.8717 14.8717 16.6893 16.6893 k = 0.5000 0.6918 0.1117 ( 3792 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3990 -31.3990 -31.3956 -31.3956 -31.0956 -31.0956 -31.0920 -31.0920 8.8412 8.8412 8.8468 8.8468 9.8043 9.8043 9.8754 9.8754 10.6829 10.6829 10.7321 10.7321 11.7837 11.7837 11.9116 11.9116 12.6117 12.6117 12.6301 12.6301 13.4073 13.4073 13.5102 13.5102 14.1850 14.1850 14.2209 14.2209 14.6876 14.6876 14.7716 14.7716 16.7130 16.7130 k = 0.5000 0.6897 0.0982 ( 3790 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3989 -31.3989 -31.3957 -31.3957 -31.0956 -31.0956 -31.0921 -31.0921 8.8576 8.8576 8.8635 8.8635 9.8375 9.8375 9.9117 9.9117 10.7084 10.7084 10.7594 10.7594 11.7759 11.7759 11.9096 11.9096 12.5776 12.5776 12.5908 12.5908 13.3761 13.3761 13.4780 13.4780 14.1457 14.1457 14.1814 14.1814 14.5910 14.5910 14.6751 14.6751 16.7346 16.7346 k = 0.5000 0.6876 0.0847 ( 3788 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3989 -31.3989 -31.3959 -31.3959 -31.0955 -31.0955 -31.0922 -31.0922 8.8741 8.8741 8.8802 8.8802 9.8722 9.8722 9.9491 9.9491 10.7355 10.7355 10.7882 10.7882 11.7659 11.7659 11.9052 11.9052 12.5418 12.5418 12.5498 12.5498 13.3441 13.3441 13.4469 13.4469 14.1069 14.1069 14.1461 14.1461 14.4977 14.4977 14.5832 14.5832 16.7543 16.7543 k = 0.5000 0.6854 0.0712 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3989 -31.3989 -31.3961 -31.3961 -31.0953 -31.0953 -31.0924 -31.0924 8.8905 8.8905 8.8968 8.8968 9.9082 9.9082 9.9876 9.9876 10.7640 10.7640 10.8181 10.8181 11.7538 11.7538 11.8978 11.8978 12.5046 12.5046 12.5076 12.5076 13.3124 13.3124 13.4178 13.4178 14.0674 14.0674 14.1144 14.1144 14.4087 14.4087 14.4975 14.4975 16.7721 16.7721 k = 0.5000 0.6833 0.0577 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3988 -31.3988 -31.3963 -31.3963 -31.0952 -31.0952 -31.0925 -31.0925 8.9065 8.9065 8.9130 8.9130 9.9453 9.9453 10.0267 10.0267 10.7938 10.7938 10.8491 10.8491 11.7395 11.7395 11.8873 11.8873 12.4646 12.4646 12.4663 12.4663 13.2821 13.2821 13.3913 13.3913 14.0261 14.0261 14.0848 14.0848 14.3252 14.3252 14.4193 14.4193 16.7884 16.7884 k = 0.5000 0.6812 0.0442 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3988 -31.3988 -31.3964 -31.3964 -31.0951 -31.0951 -31.0926 -31.0926 8.9222 8.9222 8.9287 8.9287 9.9833 9.9833 10.0660 10.0660 10.8246 10.8246 10.8806 10.8806 11.7233 11.7233 11.8732 11.8732 12.4213 12.4213 12.4274 12.4274 13.2544 13.2544 13.3681 13.3681 13.9815 13.9815 14.0550 14.0550 14.2497 14.2497 14.3501 14.3501 16.8031 16.8031 k = 0.5000 0.6790 0.0307 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3987 -31.3987 -31.3966 -31.3966 -31.0950 -31.0950 -31.0927 -31.0927 8.9372 8.9372 8.9436 8.9436 10.0218 10.0218 10.1051 10.1051 10.8562 10.8562 10.9124 10.9124 11.7055 11.7055 11.8557 11.8557 12.3781 12.3781 12.3881 12.3881 13.2304 13.2304 13.3486 13.3486 13.9330 13.9330 14.0210 14.0210 14.1857 14.1857 14.2909 14.2909 16.8163 16.8163 k = 0.5000 0.6769 0.0173 ( 3770 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3987 -31.3987 -31.3968 -31.3968 -31.0949 -31.0949 -31.0928 -31.0928 8.9514 8.9514 8.9577 8.9577 10.0605 10.0605 10.1433 10.1433 10.8880 10.8880 10.9438 10.9438 11.6868 11.6868 11.8351 11.8351 12.3355 12.3355 12.3489 12.3489 13.2110 13.2110 13.3332 13.3332 13.8806 13.8806 13.9786 13.9786 14.1374 14.1374 14.2418 14.2418 16.8281 16.8281 k = 0.5000 0.6748 0.0038 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3986 -31.3986 -31.3969 -31.3969 -31.0948 -31.0948 -31.0930 -31.0930 8.9646 8.9646 8.9706 8.9706 10.0990 10.0990 10.1800 10.1800 10.9197 10.9197 10.9742 10.9742 11.6680 11.6680 11.8117 11.8117 12.2938 12.2938 12.3101 12.3101 13.1970 13.1970 13.3219 13.3219 13.8256 13.8256 13.9272 13.9272 14.1054 14.1054 14.2020 14.2020 16.8385 16.8439 k = 0.5000 0.6726-0.0097 ( 3778 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7731 -44.7731 -44.7731 -44.7731 -31.3986 -31.3986 -31.3971 -31.3971 -31.0947 -31.0947 -31.0931 -31.0931 8.9768 8.9768 8.9823 8.9823 10.1368 10.1368 10.2146 10.2146 10.9505 10.9505 11.0028 11.0028 11.6502 11.6502 11.7866 11.7866 12.2538 12.2538 12.2722 12.2722 13.1887 13.1887 13.3145 13.3145 13.7699 13.7699 13.8710 13.8710 14.0852 14.0852 14.1700 14.1700 16.8477 16.8477 k = 0.5000 0.6705-0.0232 ( 3778 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7731 -44.7731 -31.3985 -31.3985 -31.3972 -31.3972 -31.0946 -31.0946 -31.0932 -31.0932 8.9877 8.9877 8.9926 8.9926 10.1733 10.1733 10.2460 10.2460 10.9798 10.9798 11.0289 11.0289 11.6346 11.6346 11.7605 11.7605 12.2160 12.2160 12.2358 12.2358 13.1865 13.1865 13.3106 13.3106 13.7158 13.7158 13.8143 13.8143 14.0724 14.0724 14.1442 14.1442 16.8556 16.8556 k = 0.5000 0.6683-0.0367 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3984 -31.3984 -31.3974 -31.3974 -31.0945 -31.0945 -31.0933 -31.0933 8.9972 8.9972 9.0015 9.0015 10.2078 10.2078 10.2734 10.2734 11.0068 11.0068 11.0514 11.0514 11.6224 11.6224 11.7346 11.7346 12.1814 12.1814 12.2016 12.2016 13.1901 13.1901 13.3093 13.3093 13.6657 13.6657 13.7600 13.7600 14.0645 14.0645 14.1234 14.1234 16.8623 16.8623 k = 0.5000 0.6662-0.0502 ( 3784 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3983 -31.3983 -31.3975 -31.3975 -31.0944 -31.0944 -31.0935 -31.0935 9.0052 9.0052 9.0088 9.0088 10.2396 10.2396 10.2959 10.2959 11.0310 11.0310 11.0696 11.0696 11.6147 11.6147 11.7098 11.7098 12.1511 12.1511 12.1704 12.1704 13.1992 13.1992 13.3088 13.3088 13.6223 13.6223 13.7095 13.7095 14.0601 14.0601 14.1064 14.1064 16.8678 16.8678 k = 0.5000 0.6641-0.0637 ( 3790 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3983 -31.3983 -31.3976 -31.3976 -31.0943 -31.0943 -31.0936 -31.0936 9.0117 9.0117 9.0144 9.0144 10.2677 10.2677 10.3124 10.3124 11.0517 11.0517 11.0826 11.0826 11.6120 11.6120 11.6869 11.6869 12.1266 12.1266 12.1433 12.1433 13.2132 13.2132 13.3068 13.3068 13.5886 13.5886 13.6642 13.6642 14.0583 14.0583 14.0926 14.0926 16.8722 16.8722 k = 0.5000 0.6619-0.0772 ( 3788 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3982 -31.3982 -31.3978 -31.3978 -31.0942 -31.0942 -31.0937 -31.0937 9.0165 9.0165 9.0184 9.0184 10.2911 10.2911 10.3223 10.3223 11.0685 11.0685 11.0902 11.0902 11.6145 11.6145 11.6663 11.6663 12.1091 12.1091 12.1215 12.1215 13.2310 13.2310 13.3007 13.3007 13.5680 13.5680 13.6250 13.6250 14.0588 14.0588 14.0815 14.0815 16.8754 16.8754 k = 0.5000 0.6598-0.0907 ( 3790 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3981 -31.3981 -31.3979 -31.3979 -31.0941 -31.0941 -31.0938 -31.0938 9.0196 9.0196 9.0205 9.0205 10.3090 10.3090 10.3250 10.3250 11.0810 11.0810 11.0923 11.0923 11.6218 11.6218 11.6483 11.6483 12.0996 12.0996 12.1063 12.1063 13.2510 13.2510 13.2886 13.2886 13.5626 13.5626 13.5935 13.5935 14.0614 14.0614 14.0727 14.0727 16.8775 16.8775 k = 0.5000 0.6577-0.1042 ( 3788 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3980 -31.3980 -31.3980 -31.3980 -31.0939 -31.0939 -31.0939 -31.0939 9.0209 9.0209 9.0209 9.0209 10.3205 10.3205 10.3205 10.3205 11.0891 11.0891 11.0891 11.0891 11.6333 11.6333 11.6333 11.6333 12.0987 12.0987 12.0987 12.0987 13.2712 13.2712 13.2712 13.2712 13.5719 13.5719 13.5719 13.5719 14.0661 14.0661 14.0661 14.0661 16.8784 16.8784 k = 0.5000 0.6577-0.1042 ( 3788 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7732 -44.7732 -44.7732 -44.7732 -31.3980 -31.3980 -31.3980 -31.3980 -31.0939 -31.0939 -31.0939 -31.0939 9.0209 9.0209 9.0209 9.0209 10.3205 10.3205 10.3205 10.3205 11.0891 11.0891 11.0891 11.0891 11.6333 11.6333 11.6333 11.6333 12.0987 12.0987 12.0987 12.0987 13.2712 13.2712 13.2712 13.2712 13.5719 13.5719 13.5719 13.5719 14.0661 14.0661 14.0661 14.0661 16.8784 16.8784 k = 0.4861 0.6577-0.1042 ( 3788 PWs) bands (ev): -77.9304 -77.9304 -77.9284 -77.9284 -44.7755 -44.7755 -44.7709 -44.7709 -31.4037 -31.4037 -31.3921 -31.3921 -31.0973 -31.0973 -31.0907 -31.0907 9.0192 9.0192 9.0236 9.0236 10.3068 10.3068 10.3359 10.3359 11.0564 11.0564 11.1214 11.1214 11.5767 11.5767 11.6914 11.6914 12.0796 12.0796 12.1178 12.1178 13.2593 13.2593 13.2787 13.2787 13.5570 13.5570 13.5896 13.5896 14.0167 14.0167 14.1183 14.1183 16.8406 16.8406 k = 0.4722 0.6577-0.1042 ( 3790 PWs) bands (ev): -77.9314 -77.9314 -77.9274 -77.9274 -44.7778 -44.7778 -44.7686 -44.7686 -31.4093 -31.4093 -31.3862 -31.3862 -31.1008 -31.1008 -31.0877 -31.0877 9.0185 9.0185 9.0270 9.0270 10.2950 10.2950 10.3526 10.3526 11.0238 11.0238 11.1526 11.1526 11.5222 11.5222 11.7503 11.7503 12.0608 12.0608 12.1364 12.1364 13.2422 13.2422 13.2828 13.2828 13.5454 13.5454 13.6101 13.6101 13.9711 13.9711 14.1726 14.1726 16.8011 16.8011 k = 0.4583 0.6577-0.1042 ( 3790 PWs) bands (ev): -77.9324 -77.9324 -77.9264 -77.9264 -44.7800 -44.7800 -44.7664 -44.7664 -31.4147 -31.4147 -31.3800 -31.3800 -31.1045 -31.1045 -31.0847 -31.0847 9.0189 9.0189 9.0309 9.0309 10.2852 10.2852 10.3702 10.3702 10.9918 10.9918 11.1814 11.1814 11.4710 11.4710 11.8092 11.8092 12.0430 12.0430 12.1543 12.1543 13.2190 13.2190 13.2841 13.2841 13.5371 13.5371 13.6333 13.6333 13.9299 13.9299 14.2284 14.2284 16.7601 16.7601 k = 0.4444 0.6577-0.1042 ( 3788 PWs) bands (ev): -77.9334 -77.9334 -77.9254 -77.9254 -44.7823 -44.7823 -44.7641 -44.7641 -31.4199 -31.4199 -31.3738 -31.3738 -31.1082 -31.1082 -31.0820 -31.0820 9.0207 9.0207 9.0353 9.0353 10.2777 10.2777 10.3884 10.3884 10.9608 10.9608 11.2052 11.2052 11.4256 11.4256 11.8663 11.8663 12.0282 12.0282 12.1716 12.1716 13.1891 13.1891 13.2832 13.2832 13.5323 13.5323 13.6591 13.6591 13.8939 13.8939 14.2852 14.2852 16.7176 16.7176 k = 0.4306 0.6577-0.1042 ( 3778 PWs) bands (ev): -77.9344 -77.9344 -77.9244 -77.9244 -44.7845 -44.7845 -44.7618 -44.7618 -31.4250 -31.4250 -31.3675 -31.3675 -31.1120 -31.1120 -31.0794 -31.0794 9.0239 9.0239 9.0401 9.0401 10.2725 10.2725 10.4065 10.4065 10.9315 10.9315 11.2183 11.2183 11.3917 11.3917 11.9151 11.9151 12.0226 12.0226 12.1880 12.1880 13.1520 13.1520 13.2808 13.2808 13.5312 13.5312 13.6873 13.6873 13.8636 13.8636 14.3425 14.3425 16.6736 16.6736 k = 0.4167 0.6577-0.1042 ( 3782 PWs) bands (ev): -77.9354 -77.9354 -77.9234 -77.9234 -44.7867 -44.7867 -44.7596 -44.7596 -31.4300 -31.4300 -31.3611 -31.3611 -31.1159 -31.1159 -31.0771 -31.0771 9.0287 9.0287 9.0450 9.0450 10.2696 10.2696 10.4237 10.4237 10.9043 10.9043 11.2122 11.2122 11.3779 11.3779 11.9390 11.9390 12.0429 12.0429 12.2036 12.2036 13.1081 13.1081 13.2772 13.2772 13.5336 13.5336 13.7177 13.7177 13.8392 13.8392 14.4001 14.4001 16.6282 16.6282 k = 0.4028 0.6577-0.1042 ( 3774 PWs) bands (ev): -77.9363 -77.9363 -77.9224 -77.9224 -44.7889 -44.7889 -44.7573 -44.7573 -31.4347 -31.4347 -31.3546 -31.3546 -31.1199 -31.1199 -31.0749 -31.0749 9.0352 9.0352 9.0501 9.0501 10.2689 10.2689 10.4394 10.4394 10.8800 10.8800 11.1859 11.1859 11.3849 11.3849 11.9366 11.9366 12.0898 12.0898 12.2184 12.2184 13.0582 13.0582 13.2730 13.2730 13.5394 13.5394 13.7488 13.7488 13.8219 13.8219 14.4578 14.4578 16.5814 16.5814 k = 0.3889 0.6577-0.1042 ( 3770 PWs) bands (ev): -77.9373 -77.9373 -77.9215 -77.9215 -44.7910 -44.7910 -44.7552 -44.7552 -31.4393 -31.4393 -31.3480 -31.3480 -31.1239 -31.1239 -31.0729 -31.0729 9.0432 9.0432 9.0553 9.0553 10.2703 10.2703 10.4524 10.4524 10.8593 10.8593 11.1487 11.1487 11.4039 11.4039 11.9253 11.9253 12.1451 12.1451 12.2332 12.2332 13.0036 13.0036 13.2685 13.2685 13.5482 13.5482 13.7729 13.7729 13.8187 13.8187 14.5154 14.5154 16.5331 16.5331 k = 0.3750 0.6577-0.1042 ( 3770 PWs) bands (ev): -77.9382 -77.9382 -77.9205 -77.9205 -44.7931 -44.7931 -44.7530 -44.7530 -31.4437 -31.4437 -31.3413 -31.3413 -31.1280 -31.1280 -31.0711 -31.0711 9.0526 9.0526 9.0610 9.0610 10.2736 10.2736 10.4617 10.4617 10.8429 10.8429 11.1080 11.1080 11.4276 11.4276 11.9121 11.9121 12.1972 12.1972 12.2513 12.2513 12.9462 12.9462 13.2641 13.2641 13.5597 13.5597 13.7761 13.7761 13.8431 13.8431 14.5730 14.5730 16.4833 16.4833 k = 0.3611 0.6577-0.1042 ( 3766 PWs) bands (ev): -77.9392 -77.9392 -77.9196 -77.9196 -44.7952 -44.7952 -44.7509 -44.7509 -31.4479 -31.4479 -31.3347 -31.3347 -31.1322 -31.1322 -31.0695 -31.0695 9.0611 9.0611 9.0695 9.0695 10.2782 10.2782 10.4664 10.4664 10.8311 10.8311 11.0677 11.0677 11.4525 11.4525 11.8995 11.8995 12.2313 12.2313 12.2842 12.2842 12.8883 12.8883 13.2601 13.2601 13.5738 13.5738 13.7711 13.7711 13.8816 13.8816 14.6306 14.6306 16.4321 16.4321 k = 0.3472 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9400 -77.9400 -77.9187 -77.9187 -44.7972 -44.7972 -44.7488 -44.7488 -31.4520 -31.4520 -31.3279 -31.3279 -31.1363 -31.1363 -31.0681 -31.0681 9.0670 9.0670 9.0826 9.0826 10.2839 10.2839 10.4659 10.4659 10.8238 10.8238 11.0301 11.0301 11.4769 11.4769 11.8883 11.8883 12.2459 12.2459 12.3297 12.3297 12.8334 12.8334 13.2568 13.2568 13.5899 13.5899 13.7670 13.7670 13.9249 13.9249 14.6882 14.6882 16.3795 16.3795 k = 0.3333 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9409 -77.9409 -77.9178 -77.9178 -44.7992 -44.7992 -44.7468 -44.7468 -31.4559 -31.4559 -31.3212 -31.3212 -31.1405 -31.1405 -31.0670 -31.0670 9.0717 9.0717 9.0988 9.0988 10.2897 10.2897 10.4603 10.4603 10.8197 10.8197 10.9977 10.9977 11.4997 11.4997 11.8794 11.8794 12.2530 12.2530 12.3709 12.3709 12.7867 12.7867 13.2544 13.2544 13.6075 13.6075 13.7657 13.7657 13.9711 13.9711 14.7457 14.7457 16.3257 16.3257 k = 0.3194 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9418 -77.9418 -77.9169 -77.9169 -44.8011 -44.8011 -44.7448 -44.7448 -31.4595 -31.4595 -31.3144 -31.3144 -31.1446 -31.1446 -31.0660 -31.0660 9.0761 9.0761 9.1175 9.1175 10.2950 10.2950 10.4500 10.4500 10.8164 10.8164 10.9732 10.9732 11.5199 11.5199 11.8731 11.8731 12.2554 12.2554 12.3977 12.3977 12.7562 12.7562 13.2533 13.2533 13.6255 13.6255 13.7683 13.7683 14.0194 14.0194 14.8034 14.8034 16.2708 16.2708 k = 0.3056 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9426 -77.9426 -77.9161 -77.9161 -44.8030 -44.8030 -44.7429 -44.7429 -31.4630 -31.4630 -31.3076 -31.3076 -31.1487 -31.1487 -31.0653 -31.0653 9.0802 9.0802 9.1385 9.1385 10.2986 10.2986 10.4360 10.4360 10.8115 10.8115 10.9590 10.9590 11.5363 11.5363 11.8700 11.8700 12.2523 12.2523 12.4038 12.4038 12.7492 12.7492 13.2538 13.2538 13.6421 13.6421 13.7769 13.7769 14.0693 14.0693 14.8612 14.8612 16.2151 16.2151 k = 0.2917 0.6577-0.1042 ( 3762 PWs) bands (ev): -77.9435 -77.9435 -77.9153 -77.9153 -44.8048 -44.8048 -44.7410 -44.7410 -31.4663 -31.4663 -31.3009 -31.3009 -31.1528 -31.1528 -31.0648 -31.0648 9.0843 9.0843 9.1619 9.1619 10.2995 10.2995 10.4191 10.4191 10.8039 10.8039 10.9560 10.9560 11.5479 11.5479 11.8702 11.8702 12.2421 12.2421 12.3917 12.3917 12.7654 12.7654 13.2560 13.2560 13.6552 13.6552 13.7935 13.7935 14.1205 14.1205 14.9193 14.9193 16.1590 16.1590 k = 0.2778 0.6577-0.1042 ( 3764 PWs) bands (ev): -77.9442 -77.9442 -77.9145 -77.9145 -44.8066 -44.8066 -44.7392 -44.7392 -31.4695 -31.4695 -31.2942 -31.2942 -31.1568 -31.1568 -31.0645 -31.0645 9.0883 9.0883 9.1878 9.1878 10.2966 10.2966 10.4002 10.4002 10.7957 10.7957 10.9624 10.9624 11.5537 11.5537 11.8736 11.8736 12.2229 12.2229 12.3724 12.3724 12.7970 12.7970 13.2604 13.2604 13.6634 13.6634 13.8197 13.8197 14.1725 14.1725 14.9776 14.9776 16.1026 16.1026 k = 0.2639 0.6577-0.1042 ( 3764 PWs) bands (ev): -77.9450 -77.9450 -77.9137 -77.9137 -44.8083 -44.8083 -44.7375 -44.7375 -31.4724 -31.4724 -31.2875 -31.2875 -31.1608 -31.1608 -31.0644 -31.0644 9.0923 9.0923 9.2160 9.2160 10.2890 10.2890 10.3800 10.3800 10.7894 10.7894 10.9750 10.9750 11.5526 11.5526 11.8797 11.8797 12.1953 12.1953 12.3548 12.3548 12.8356 12.8356 13.2671 13.2671 13.6672 13.6672 13.8553 13.8553 14.2249 14.2249 15.0363 15.0363 16.0465 16.0465 k = 0.2500 0.6577-0.1042 ( 3766 PWs) bands (ev): -77.9457 -77.9457 -77.9130 -77.9130 -44.8099 -44.8099 -44.7359 -44.7359 -31.4752 -31.4752 -31.2809 -31.2809 -31.1646 -31.1646 -31.0645 -31.0645 9.0963 9.0963 9.2467 9.2467 10.2764 10.2764 10.3592 10.3592 10.7869 10.7869 10.9917 10.9917 11.5436 11.5436 11.8869 11.8869 12.1645 12.1645 12.3413 12.3413 12.8757 12.8757 13.2764 13.2764 13.6675 13.6675 13.8993 13.8993 14.2774 14.2774 15.0951 15.0951 15.9910 15.9910 k = 0.2361 0.6577-0.1042 ( 3768 PWs) bands (ev): -77.9464 -77.9464 -77.9123 -77.9123 -44.8115 -44.8115 -44.7343 -44.7343 -31.4778 -31.4778 -31.2744 -31.2744 -31.1684 -31.1684 -31.0648 -31.0648 9.1006 9.1006 9.2798 9.2798 10.2587 10.2587 10.3385 10.3385 10.7884 10.7884 11.0107 11.0107 11.5261 11.5261 11.8937 11.8937 12.1371 12.1371 12.3307 12.3307 12.9143 12.9143 13.2886 13.2886 13.6654 13.6654 13.9506 13.9506 14.3296 14.3296 15.1537 15.1537 15.9365 15.9365 k = 0.2222 0.6577-0.1042 ( 3762 PWs) bands (ev): -77.9471 -77.9471 -77.9116 -77.9116 -44.8130 -44.8130 -44.7327 -44.7327 -31.4802 -31.4802 -31.2680 -31.2680 -31.1720 -31.1720 -31.0653 -31.0653 9.1049 9.1049 9.3153 9.3153 10.2365 10.2365 10.3183 10.3183 10.7934 10.7934 11.0313 11.0313 11.4998 11.4998 11.8981 11.8981 12.1184 12.1184 12.3216 12.3216 12.9497 12.9497 13.3038 13.3038 13.6616 13.6616 14.0082 14.0082 14.3813 14.3813 15.2118 15.2118 15.8836 15.8836 k = 0.2083 0.6577-0.1042 ( 3764 PWs) bands (ev): -77.9477 -77.9477 -77.9110 -77.9110 -44.8144 -44.8144 -44.7313 -44.7313 -31.4824 -31.4824 -31.2617 -31.2617 -31.1755 -31.1755 -31.0659 -31.0659 9.1095 9.1095 9.3533 9.3533 10.2105 10.2105 10.2989 10.2989 10.8004 10.8004 11.0526 11.0526 11.4656 11.4656 11.8996 11.8996 12.1101 12.1101 12.3137 12.3137 12.9808 12.9808 13.3219 13.3219 13.6564 13.6564 14.0713 14.0713 14.4322 14.4322 15.2685 15.2685 15.8326 15.8326 k = 0.1944 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9483 -77.9483 -77.9104 -77.9104 -44.8157 -44.8157 -44.7299 -44.7299 -31.4845 -31.4845 -31.2556 -31.2556 -31.1789 -31.1789 -31.0667 -31.0667 9.1144 9.1144 9.3938 9.3938 10.1820 10.1820 10.2806 10.2806 10.8076 10.8076 11.0739 11.0739 11.4255 11.4255 11.8990 11.8990 12.1106 12.1106 12.3072 12.3072 13.0073 13.0073 13.3428 13.3428 13.6502 13.6502 14.1387 14.1387 14.4825 14.4825 15.3226 15.3226 15.7840 15.7840 k = 0.1806 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9489 -77.9489 -77.9098 -77.9098 -44.8169 -44.8169 -44.7286 -44.7286 -31.4864 -31.4864 -31.2497 -31.2497 -31.1821 -31.1821 -31.0677 -31.0677 9.1194 9.1194 9.4366 9.4366 10.1519 10.1519 10.2633 10.2633 10.8132 10.8132 11.0936 11.0936 11.3836 11.3836 11.8979 11.8979 12.1157 12.1157 12.3035 12.3035 13.0290 13.0290 13.3664 13.3664 13.6431 13.6431 14.2091 14.2091 14.5322 14.5322 15.3724 15.3724 15.7381 15.7381 k = 0.1667 0.6577-0.1042 ( 3762 PWs) bands (ev): -77.9494 -77.9494 -77.9093 -77.9093 -44.8181 -44.8181 -44.7274 -44.7274 -31.4881 -31.4881 -31.2439 -31.2439 -31.1851 -31.1851 -31.0688 -31.0688 9.1247 9.1247 9.4817 9.4817 10.1211 10.1211 10.2471 10.2471 10.8148 10.8148 11.1084 11.1084 11.3461 11.3461 11.8974 11.8974 12.1207 12.1207 12.3046 12.3046 13.0463 13.0463 13.3921 13.3921 13.6352 13.6352 14.2811 14.2811 14.5817 14.5817 15.4156 15.4156 15.6955 15.6955 k = 0.1528 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9499 -77.9499 -77.9088 -77.9088 -44.8192 -44.8192 -44.7263 -44.7263 -31.4897 -31.4897 -31.2384 -31.2384 -31.1880 -31.1880 -31.0700 -31.0700 9.1302 9.1302 9.5292 9.5292 10.0906 10.0906 10.2320 10.2320 10.8103 10.8103 11.1129 11.1129 11.3220 11.3220 11.8976 11.8976 12.1214 12.1214 12.3124 12.3124 13.0592 13.0592 13.4195 13.4195 13.6268 13.6268 14.3526 14.3526 14.6318 14.6318 15.4495 15.4495 15.6563 15.6563 k = 0.1389 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9503 -77.9503 -77.9084 -77.9084 -44.8202 -44.8202 -44.7253 -44.7253 -31.4911 -31.4911 -31.2332 -31.2332 -31.1906 -31.1906 -31.0713 -31.0713 9.1358 9.1358 9.5789 9.5789 10.0608 10.0608 10.2181 10.2181 10.7968 10.7968 11.1034 11.1034 11.3184 11.3184 11.8981 11.8981 12.1162 12.1162 12.3274 12.3274 13.0683 13.0683 13.4479 13.4479 13.6181 13.6181 14.4214 14.4214 14.6835 14.6835 15.4712 15.4712 15.6215 15.6215 k = 0.1250 0.6577-0.1042 ( 3766 PWs) bands (ev): -77.9507 -77.9507 -77.9080 -77.9080 -44.8211 -44.8211 -44.7244 -44.7244 -31.4924 -31.4924 -31.2283 -31.2283 -31.1930 -31.1930 -31.0726 -31.0726 9.1415 9.1415 9.6306 9.6306 10.0325 10.0325 10.2054 10.2054 10.7720 10.7720 11.0846 11.0846 11.3336 11.3336 11.8982 11.8982 12.1056 12.1056 12.3486 12.3486 13.0739 13.0739 13.4768 13.4768 13.6092 13.6092 14.4851 14.4851 14.7375 14.7375 15.4781 15.4781 15.5928 15.5928 k = 0.1111 0.6577-0.1042 ( 3766 PWs) bands (ev): -77.9511 -77.9511 -77.9076 -77.9076 -44.8220 -44.8220 -44.7235 -44.7235 -31.4935 -31.4935 -31.2237 -31.2237 -31.1952 -31.1952 -31.0739 -31.0739 9.1471 9.1471 9.6843 9.6843 10.0061 10.0061 10.1939 10.1939 10.7350 10.7350 11.0651 11.0651 11.3610 11.3610 11.8967 11.8967 12.0914 12.0914 12.3739 12.3739 13.0763 13.0763 13.5052 13.5052 13.6007 13.6007 14.5418 14.5418 14.7940 14.7940 15.4677 15.4677 15.5742 15.5742 k = 0.0972 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9514 -77.9514 -77.9073 -77.9073 -44.8226 -44.8226 -44.7227 -44.7227 -31.4945 -31.4945 -31.2195 -31.2195 -31.1972 -31.1972 -31.0752 -31.0752 9.1526 9.1526 9.7394 9.7394 9.9825 9.9825 10.1837 10.1837 10.6868 10.6868 11.0494 11.0494 11.3951 11.3951 11.8923 11.8923 12.0760 12.0760 12.4012 12.4012 13.0760 13.0760 13.5320 13.5320 13.5933 13.5933 14.5907 14.5907 14.8518 14.8518 15.4417 15.4417 15.5682 15.5682 k = 0.0833 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9517 -77.9517 -77.9070 -77.9070 -44.8233 -44.8233 -44.7221 -44.7221 -31.4954 -31.4954 -31.2157 -31.2157 -31.1989 -31.1989 -31.0765 -31.0765 9.1579 9.1579 9.7950 9.7950 9.9627 9.9627 10.1748 10.1748 10.6300 10.6300 11.0383 11.0383 11.4329 11.4329 11.8837 11.8837 12.0613 12.0613 12.4290 12.4290 13.0735 13.0735 13.5543 13.5543 13.5893 13.5893 14.6320 14.6320 14.9084 14.9084 15.4061 15.4061 15.5731 15.5731 k = 0.0694 0.6577-0.1042 ( 3760 PWs) bands (ev): -77.9519 -77.9519 -77.9068 -77.9068 -44.8238 -44.8238 -44.7215 -44.7215 -31.4961 -31.4961 -31.2124 -31.2124 -31.2004 -31.2004 -31.0777 -31.0777 9.1627 9.1627 9.8479 9.8479 9.9500 9.9500 10.1673 10.1673 10.5675 10.5675 11.0308 11.0308 11.4725 11.4725 11.8697 11.8697 12.0492 12.0492 12.4557 12.4557 13.0692 13.0692 13.5639 13.5639 13.5965 13.5965 14.6665 14.6665 14.9609 14.9609 15.3666 15.3666 15.5876 15.5876 k = 0.0556 0.6577-0.1042 ( 3758 PWs) bands (ev): -77.9521 -77.9521 -77.9066 -77.9066 -44.8243 -44.8243 -44.7211 -44.7211 -31.4966 -31.4966 -31.2096 -31.2096 -31.2016 -31.2016 -31.0787 -31.0787 9.1668 9.1668 9.8841 9.8841 9.9582 9.9582 10.1612 10.1612 10.5021 10.5021 11.0259 11.0259 11.5126 11.5126 11.8504 11.8504 12.0403 12.0403 12.4801 12.4801 13.0640 13.0640 13.5621 13.5621 13.6130 13.6130 14.6949 14.6949 15.0065 15.0065 15.3271 15.3271 15.6104 15.6104 k = 0.0417 0.6577-0.1042 ( 3762 PWs) bands (ev): -77.9523 -77.9523 -77.9064 -77.9064 -44.8246 -44.8246 -44.7207 -44.7207 -31.4971 -31.4971 -31.2075 -31.2075 -31.2025 -31.2025 -31.0796 -31.0796 9.1703 9.1703 9.8900 9.8900 10.0006 10.0006 10.1565 10.1565 10.4359 10.4359 11.0227 11.0227 11.5516 11.5516 11.8268 11.8268 12.0344 12.0344 12.5007 12.5007 13.0586 13.0586 13.5583 13.5583 13.6290 13.6290 14.7175 14.7175 15.0440 15.0440 15.2903 15.2903 15.6386 15.6386 k = 0.0278 0.6577-0.1042 ( 3756 PWs) bands (ev): -77.9524 -77.9524 -77.9063 -77.9063 -44.8248 -44.8248 -44.7205 -44.7205 -31.4974 -31.4974 -31.2059 -31.2059 -31.2032 -31.2032 -31.0802 -31.0802 9.1729 9.1729 9.8858 9.8858 10.0550 10.0550 10.1536 10.1536 10.3718 10.3718 11.0207 11.0207 11.5874 11.5874 11.8016 11.8016 12.0310 12.0310 12.5166 12.5166 13.0539 13.0539 13.5550 13.5550 13.6414 13.6414 14.7342 14.7342 15.0729 15.0729 15.2589 15.2589 15.6671 15.6671 k = 0.0139 0.6577-0.1042 ( 3756 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7203 -44.7203 -31.4976 -31.4976 -31.2050 -31.2050 -31.2035 -31.2035 -31.0806 -31.0806 9.1745 9.1745 9.8818 9.8818 10.1046 10.1046 10.1534 10.1534 10.3159 10.3159 11.0196 11.0196 11.6153 11.6153 11.7797 11.7797 12.0293 12.0293 12.5266 12.5266 13.0507 13.0507 13.5528 13.5528 13.6492 13.6492 14.7446 14.7446 15.0925 15.0925 15.2365 15.2365 15.6888 15.6888 k = 0.0000 0.6577-0.1042 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7203 -44.7203 -31.4977 -31.4977 -31.2048 -31.2048 -31.2035 -31.2035 -31.0807 -31.0807 9.1751 9.1751 9.8804 9.8804 10.1263 10.1263 10.1567 10.1567 10.2889 10.2889 11.0193 11.0193 11.6268 11.6268 11.7703 11.7703 12.0287 12.0287 12.5300 12.5300 13.0495 13.0495 13.5521 13.5521 13.6518 13.6518 14.7481 14.7481 15.0998 15.0998 15.2279 15.2279 15.6969 15.6969 k = 0.0000 0.6577-0.1042 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7203 -44.7203 -31.4977 -31.4977 -31.2048 -31.2048 -31.2035 -31.2035 -31.0807 -31.0807 9.1751 9.1751 9.8804 9.8804 10.1263 10.1263 10.1567 10.1567 10.2889 10.2889 11.0193 11.0193 11.6268 11.6268 11.7703 11.7703 12.0287 12.0287 12.5300 12.5300 13.0495 13.0495 13.5521 13.5521 13.6518 13.6518 14.7481 14.7481 15.0998 15.0998 15.2279 15.2279 15.6969 15.6969 k = 0.0000 0.6598-0.0907 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7203 -44.7203 -31.4977 -31.4977 -31.2048 -31.2048 -31.2035 -31.2035 -31.0807 -31.0807 9.1748 9.1748 9.8806 9.8806 10.1192 10.1192 10.1628 10.1628 10.2894 10.2894 11.0182 11.0182 11.6248 11.6248 11.7696 11.7696 12.0283 12.0283 12.5307 12.5307 13.0515 13.0515 13.5467 13.5467 13.6573 13.6573 14.7479 14.7479 15.0997 15.0997 15.2287 15.2287 15.6964 15.6964 k = 0.0000 0.6619-0.0772 ( 3752 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4976 -31.4976 -31.2048 -31.2048 -31.2035 -31.2035 -31.0807 -31.0807 9.1742 9.1742 9.8811 9.8811 10.1052 10.1052 10.1741 10.1741 10.2909 10.2909 11.0151 11.0151 11.6191 11.6191 11.7676 11.7676 12.0269 12.0269 12.5327 12.5327 13.0574 13.0574 13.5333 13.5333 13.6712 13.6712 14.7472 14.7472 15.0994 15.0994 15.2310 15.2310 15.6950 15.6950 k = 0.0000 0.6641-0.0637 ( 3751 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4976 -31.4976 -31.2048 -31.2048 -31.2034 -31.2034 -31.0807 -31.0807 9.1731 9.1731 9.8819 9.8819 10.0893 10.0893 10.1856 10.1856 10.2933 10.2933 11.0098 11.0098 11.6100 11.6100 11.7640 11.7640 12.0247 12.0247 12.5361 12.5361 13.0669 13.0669 13.5158 13.5158 13.6894 13.6894 14.7460 14.7460 15.0989 15.0989 15.2347 15.2347 15.6930 15.6930 k = 0.0000 0.6662-0.0502 ( 3751 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4976 -31.4976 -31.2048 -31.2048 -31.2034 -31.2034 -31.0807 -31.0807 9.1715 9.1715 9.8830 9.8830 10.0727 10.0727 10.1958 10.1958 10.2968 10.2968 11.0025 11.0025 11.5978 11.5978 11.7589 11.7589 12.0216 12.0216 12.5407 12.5407 13.0798 13.0798 13.4968 13.4968 13.7095 13.7095 14.7444 14.7444 15.0983 15.0983 15.2397 15.2397 15.6907 15.6907 k = 0.0000 0.6683-0.0367 ( 3749 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4976 -31.4976 -31.2049 -31.2049 -31.2033 -31.2033 -31.0806 -31.0806 9.1695 9.1695 9.8843 9.8843 10.0560 10.0560 10.2044 10.2044 10.3012 10.3012 10.9934 10.9934 11.5833 11.5833 11.7521 11.7521 12.0178 12.0178 12.5464 12.5464 13.0955 13.0955 13.4775 13.4775 13.7302 13.7302 14.7425 14.7425 15.0976 15.0976 15.2461 15.2461 15.6885 15.6885 k = 0.0000 0.6705-0.0232 ( 3748 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2049 -31.2049 -31.2032 -31.2032 -31.0806 -31.0806 9.1670 9.1670 9.8858 9.8858 10.0395 10.0395 10.2113 10.2113 10.3063 10.3063 10.9826 10.9826 11.5668 11.5668 11.7436 11.7436 12.0133 12.0133 12.5531 12.5531 13.1134 13.1134 13.4588 13.4588 13.7510 13.7510 14.7403 14.7403 15.0970 15.0970 15.2536 15.2536 15.6868 15.6868 k = 0.0000 0.6726-0.0097 ( 3756 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2050 -31.2050 -31.2031 -31.2031 -31.0806 -31.0806 9.1641 9.1641 9.8874 9.8874 10.0235 10.0235 10.2165 10.2165 10.3116 10.3116 10.9703 10.9703 11.5490 11.5490 11.7334 11.7334 12.0083 12.0083 12.5606 12.5606 13.1327 13.1327 13.4412 13.4412 13.7714 13.7714 14.7379 14.7379 15.0962 15.0962 15.2621 15.2621 15.6861 15.6861 k = 0.0000 0.6748 0.0038 ( 3760 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2050 -31.2050 -31.2030 -31.2030 -31.0806 -31.0806 9.1606 9.1606 9.8889 9.8889 10.0083 10.0083 10.2202 10.2202 10.3169 10.3169 10.9567 10.9567 11.5303 11.5303 11.7215 11.7215 12.0030 12.0030 12.5689 12.5689 13.1526 13.1526 13.4253 13.4253 13.7914 13.7914 14.7353 14.7353 15.0955 15.0955 15.2716 15.2716 15.6867 15.6867 k = 0.0000 0.6769 0.0173 ( 3761 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2051 -31.2051 -31.2029 -31.2029 -31.0805 -31.0805 9.1567 9.1567 9.8902 9.8902 9.9942 9.9942 10.2228 10.2228 10.3218 10.3218 10.9421 10.9421 11.5110 11.5110 11.7081 11.7081 11.9974 11.9974 12.5778 12.5778 13.1718 13.1718 13.4118 13.4118 13.8107 13.8107 14.7327 14.7327 15.0947 15.0947 15.2818 15.2818 15.6889 15.6889 k = 0.0000 0.6790 0.0307 ( 3758 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2051 -31.2051 -31.2027 -31.2027 -31.0805 -31.0805 9.1523 9.1523 9.8910 9.8910 9.9815 9.9815 10.2243 10.2243 10.3257 10.3257 10.9268 10.9268 11.4916 11.4916 11.6933 11.6933 11.9918 11.9918 12.5873 12.5873 13.1889 13.1889 13.4016 13.4016 13.8293 13.8293 14.7300 14.7300 15.0940 15.0940 15.2927 15.2927 15.6929 15.6929 k = 0.0000 0.6812 0.0442 ( 3760 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2052 -31.2052 -31.2026 -31.2026 -31.0804 -31.0804 9.1474 9.1474 9.8908 9.8908 9.9707 9.9707 10.2249 10.2249 10.3285 10.3285 10.9112 10.9112 11.4723 11.4723 11.6772 11.6772 11.9863 11.9863 12.5972 12.5972 13.2025 13.2025 13.3956 13.3956 13.8474 13.8474 14.7274 14.7274 15.0933 15.0933 15.3042 15.3042 15.6987 15.6987 k = 0.0000 0.6833 0.0577 ( 3765 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2052 -31.2052 -31.2025 -31.2025 -31.0804 -31.0804 9.1420 9.1420 9.8895 9.8895 9.9621 9.9621 10.2247 10.2247 10.3300 10.3300 10.8954 10.8954 11.4534 11.4534 11.6601 11.6601 11.9810 11.9810 12.6076 12.6076 13.2112 13.2112 13.3947 13.3947 13.8649 13.8649 14.7247 14.7247 15.0926 15.0926 15.3161 15.3161 15.7064 15.7064 k = 0.0000 0.6854 0.0712 ( 3760 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7202 -44.7202 -31.4977 -31.4977 -31.2053 -31.2053 -31.2023 -31.2023 -31.0803 -31.0803 9.1361 9.1361 9.8868 9.8868 9.9561 9.9561 10.2238 10.2238 10.3300 10.3300 10.8799 10.8799 11.4350 11.4350 11.6421 11.6421 11.9760 11.9760 12.6183 12.6183 13.2146 13.2146 13.3987 13.3987 13.8821 13.8821 14.7222 14.7222 15.0918 15.0918 15.3283 15.3283 15.7159 15.7159 k = 0.0000 0.6876 0.0847 ( 3756 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7201 -44.7201 -31.4977 -31.4977 -31.2053 -31.2053 -31.2022 -31.2022 -31.0802 -31.0802 9.1297 9.1297 9.8826 9.8826 9.9526 9.9526 10.2221 10.2221 10.3285 10.3285 10.8650 10.8650 11.4173 11.4173 11.6233 11.6233 11.9714 11.9714 12.6294 12.6294 13.2132 13.2132 13.4066 13.4066 13.8990 13.8990 14.7198 14.7198 15.0910 15.0910 15.3407 15.3407 15.7272 15.7272 k = 0.0000 0.6897 0.0982 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7201 -44.7201 -31.4977 -31.4977 -31.2053 -31.2053 -31.2020 -31.2020 -31.0802 -31.0802 9.1227 9.1227 9.8775 9.8775 9.9513 9.9513 10.2195 10.2195 10.3259 10.3259 10.8508 10.8508 11.4004 11.4004 11.6039 11.6039 11.9673 11.9673 12.6407 12.6407 13.2083 13.2083 13.4167 13.4167 13.9159 13.9159 14.7174 14.7174 15.0901 15.0901 15.3531 15.3531 15.7401 15.7401 k = 0.0000 0.6918 0.1117 ( 3750 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8249 -44.8249 -44.7201 -44.7201 -31.4977 -31.4977 -31.2054 -31.2054 -31.2018 -31.2018 -31.0801 -31.0801 9.1153 9.1153 9.8719 9.8719 9.9514 9.9514 10.2160 10.2160 10.3221 10.3221 10.8376 10.8376 11.3843 11.3843 11.5841 11.5841 11.9638 11.9638 12.6523 12.6523 13.2010 13.2010 13.4274 13.4274 13.9329 13.9329 14.7153 14.7153 15.0891 15.0891 15.3654 15.3654 15.7542 15.7542 k = 0.0000 0.6940 0.1252 ( 3753 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7201 -44.7201 -31.4977 -31.4977 -31.2054 -31.2054 -31.2017 -31.2017 -31.0800 -31.0800 9.1073 9.1073 9.8665 9.8665 9.9526 9.9526 10.2113 10.2113 10.3177 10.3177 10.8254 10.8254 11.3691 11.3691 11.5640 11.5640 11.9608 11.9608 12.6642 12.6642 13.1925 13.1925 13.4372 13.4372 13.9499 13.9499 14.7132 14.7132 15.0879 15.0879 15.3774 15.3774 15.7695 15.7695 k = 0.0000 0.6961 0.1387 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7200 -44.7200 -31.4977 -31.4977 -31.2055 -31.2055 -31.2015 -31.2015 -31.0799 -31.0799 9.0988 9.0988 9.8615 9.8615 9.9544 9.9544 10.2053 10.2053 10.3129 10.3129 10.8145 10.8145 11.3550 11.3550 11.5439 11.5439 11.9583 11.9583 12.6764 12.6764 13.1835 13.1835 13.4455 13.4455 13.9669 13.9669 14.7114 14.7114 15.0867 15.0867 15.3890 15.3890 15.7855 15.7855 k = 0.0000 0.6983 0.1522 ( 3754 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7200 -44.7200 -31.4978 -31.4978 -31.2055 -31.2055 -31.2014 -31.2014 -31.0799 -31.0799 9.0899 9.0899 9.8572 9.8572 9.9564 9.9564 10.1979 10.1979 10.3083 10.3083 10.8048 10.8048 11.3418 11.3418 11.5238 11.5238 11.9563 11.9563 12.6888 12.6888 13.1744 13.1744 13.4517 13.4517 13.9839 13.9839 14.7099 14.7099 15.0853 15.0853 15.4001 15.4001 15.8019 15.8019 k = 0.0000 0.7004 0.1657 ( 3755 PWs) bands (ev): -77.9525 -77.9525 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2056 -31.2056 -31.2012 -31.2012 -31.0798 -31.0798 9.0805 9.0805 9.8538 9.8538 9.9586 9.9586 10.1890 10.1890 10.3042 10.3042 10.7963 10.7963 11.3297 11.3297 11.5039 11.5039 11.9547 11.9547 12.7015 12.7015 13.1656 13.1656 13.4555 13.4555 14.0004 14.0004 14.7088 14.7088 15.0837 15.0837 15.4104 15.4104 15.8183 15.8183 k = 0.0000 0.7025 0.1791 ( 3754 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2056 -31.2056 -31.2010 -31.2010 -31.0797 -31.0797 9.0707 9.0707 9.8514 9.8514 9.9608 9.9608 10.1787 10.1787 10.3008 10.3008 10.7890 10.7890 11.3187 11.3187 11.4845 11.4845 11.9534 11.9534 12.7145 12.7145 13.1573 13.1573 13.4569 13.4569 14.0161 14.0161 14.7082 14.7082 15.0818 15.0818 15.4200 15.4200 15.8344 15.8344 k = 0.0000 0.7047 0.1926 ( 3754 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2057 -31.2057 -31.2008 -31.2008 -31.0796 -31.0796 9.0606 9.0606 9.8499 9.8499 9.9629 9.9629 10.1672 10.1672 10.2983 10.2983 10.7829 10.7829 11.3087 11.3087 11.4655 11.4655 11.9524 11.9524 12.7277 12.7277 13.1497 13.1497 13.4562 13.4562 14.0307 14.0307 14.7083 14.7083 15.0798 15.0798 15.4286 15.4286 15.8497 15.8497 k = 0.0000 0.7068 0.2061 ( 3746 PWs) bands (ev): -77.9526 -77.9526 -77.9062 -77.9062 -44.8250 -44.8250 -44.7199 -44.7199 -31.4978 -31.4978 -31.2057 -31.2057 -31.2007 -31.2007 -31.0795 -31.0795 9.0501 9.0501 9.8494 9.8494 9.9648 9.9648 10.1548 10.1548 10.2967 10.2967 10.7778 10.7778 11.3000 11.3000 11.4473 11.4473 11.9515 11.9515 12.7413 12.7413 13.1429 13.1429 13.4533 13.4533 14.0437 14.0437 14.7092 14.7092 15.0774 15.0774 15.4363 15.4363 15.8640 15.8640 k = 0.5000 0.6085 0.4144 ( 3780 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7730 -44.7730 -44.7730 -44.7730 -31.3991 -31.3991 -31.3942 -31.3942 -31.0963 -31.0963 -31.0912 -31.0912 8.7428 8.7428 8.7457 8.7457 9.6228 9.6228 9.6734 9.6734 10.5525 10.5525 10.5886 10.5886 11.7997 11.7997 11.8905 11.8905 12.7818 12.7818 12.8317 12.8317 13.5496 13.5496 13.7006 13.7006 14.5046 14.5046 14.6084 14.6084 15.3862 15.3862 15.4906 15.4906 16.4891 16.4891 k = 0.5000 0.5947 0.4144 ( 3774 PWs) bands (ev): -77.9294 -77.9294 -77.9294 -77.9294 -44.7729 -44.7729 -44.7729 -44.7729 -31.3994 -31.3994 -31.3932 -31.3932 -31.0971 -31.0971 -31.0906 -31.0906 8.7481 8.7481 8.7519 8.7519 9.6211 9.6211 9.6798 9.6798 10.5585 10.5585 10.5989 10.5989 11.7933 11.7933 11.9012 11.9012 12.7534 12.7534 12.8038 12.8038 13.5245 13.5245 13.7030 13.7030 14.5146 14.5146 14.6466 14.6466 15.3862 15.3862 15.5033 15.5033 16.4317 16.4317 k = 0.5000 0.5809 0.4144 ( 3782 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7729 -44.7729 -44.7729 -44.7729 -31.3997 -31.3997 -31.3922 -31.3922 -31.0979 -31.0979 -31.0901 -31.0901 8.7549 8.7549 8.7597 8.7597 9.6199 9.6199 9.6863 9.6863 10.5660 10.5660 10.6102 10.6102 11.7860 11.7860 11.9131 11.9131 12.7205 12.7205 12.7653 12.7653 13.5023 13.5023 13.6999 13.6999 14.5239 14.5239 14.6782 14.6782 15.3891 15.3891 15.5166 15.5166 16.3703 16.3703 k = 0.5000 0.5670 0.4144 ( 3782 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7728 -44.7728 -44.7728 -44.7728 -31.3999 -31.3999 -31.3910 -31.3910 -31.0987 -31.0987 -31.0896 -31.0896 8.7631 8.7631 8.7690 8.7690 9.6192 9.6192 9.6931 9.6931 10.5750 10.5750 10.6222 10.6222 11.7772 11.7772 11.9261 11.9261 12.6840 12.6840 12.7168 12.7168 13.4842 13.4842 13.6931 13.6931 14.5310 14.5310 14.7020 14.7020 15.3944 15.3944 15.5293 15.5293 16.3061 16.3061 k = 0.5000 0.5532 0.4144 ( 3782 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7728 -44.7728 -44.7727 -44.7727 -31.3999 -31.3999 -31.3898 -31.3898 -31.0995 -31.0995 -31.0891 -31.0891 8.7728 8.7728 8.7798 8.7798 9.6191 9.6191 9.7001 9.7001 10.5854 10.5854 10.6347 10.6347 11.7661 11.7661 11.9401 11.9401 12.6450 12.6450 12.6592 12.6592 13.4706 13.4706 13.6845 13.6845 14.5350 14.5350 14.7173 14.7173 15.4010 15.4010 15.5393 15.5393 16.2402 16.2402 k = 0.5000 0.5394 0.4144 ( 3778 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7727 -44.7727 -44.7726 -44.7726 -31.3999 -31.3999 -31.3886 -31.3886 -31.1003 -31.1003 -31.0887 -31.0887 8.7838 8.7838 8.7921 8.7921 9.6195 9.6195 9.7074 9.7074 10.5971 10.5971 10.6474 10.6474 11.7516 11.7516 11.9548 11.9548 12.5942 12.5942 12.6051 12.6051 13.4614 13.4614 13.6752 13.6752 14.5351 14.5351 14.7242 14.7242 15.4067 15.4067 15.5443 15.5443 16.1746 16.1746 k = 0.5000 0.5255 0.4144 ( 3774 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7726 -44.7726 -44.7725 -44.7725 -31.3998 -31.3998 -31.3872 -31.3872 -31.1011 -31.1011 -31.0883 -31.0883 8.7962 8.7962 8.8058 8.8058 9.6205 9.6205 9.7150 9.7150 10.6100 10.6100 10.6601 10.6601 11.7327 11.7327 11.9700 11.9700 12.5234 12.5234 12.5657 12.5657 13.4562 13.4562 13.6664 13.6664 14.5308 14.5308 14.7230 14.7230 15.4088 15.4088 15.5414 15.5414 16.1115 16.1115 k = 0.5000 0.5117 0.4144 ( 3780 PWs) bands (ev): -77.9295 -77.9295 -77.9295 -77.9295 -44.7725 -44.7725 -44.7724 -44.7724 -31.3996 -31.3996 -31.3859 -31.3859 -31.1019 -31.1019 -31.0879 -31.0879 8.8099 8.8099 8.8210 8.8210 9.6220 9.6220 9.7229 9.7229 10.6237 10.6237 10.6724 10.6724 11.7085 11.7085 11.9853 11.9853 12.4487 12.4487 12.5285 12.5285 13.4546 13.4546 13.6587 13.6587 14.5222 14.5222 14.7145 14.7145 15.4042 15.4042 15.5278 15.5278 16.0537 16.0537 k = 0.5000 0.4979 0.4144 ( 3786 PWs) bands (ev): -77.9296 -77.9296 -77.9296 -77.9296 -44.7724 -44.7724 -44.7723 -44.7723 -31.3993 -31.3993 -31.3845 -31.3845 -31.1027 -31.1027 -31.0876 -31.0876 8.8248 8.8248 8.8375 8.8375 9.6241 9.6241 9.7310 9.7310 10.6381 10.6381 10.6838 10.6838 11.6780 11.6780 12.0001 12.0001 12.3720 12.3720 12.4949 12.4949 13.4562 13.4562 13.6524 13.6524 14.5093 14.5093 14.6996 14.6996 15.3899 15.3899 15.5011 15.5011 16.0041 16.0041 k = 0.5000 0.4840 0.4144 ( 3784 PWs) bands (ev): -77.9296 -77.9296 -77.9296 -77.9296 -44.7723 -44.7723 -44.7722 -44.7722 -31.3989 -31.3989 -31.3831 -31.3831 -31.1035 -31.1035 -31.0874 -31.0874 8.8410 8.8410 8.8554 8.8554 9.6267 9.6267 9.7395 9.7395 10.6530 10.6530 10.6940 10.6940 11.6409 11.6409 12.0133 12.0133 12.2958 12.2958 12.4663 12.4663 13.4605 13.4605 13.6478 13.6478 14.4924 14.4924 14.6791 14.6791 15.3635 15.3635 15.4609 15.4609 15.9647 15.9647 k = 0.5000 0.4702 0.4144 ( 3784 PWs) bands (ev): -77.9296 -77.9296 -77.9296 -77.9296 -44.7722 -44.7722 -44.7721 -44.7721 -31.3984 -31.3984 -31.3816 -31.3816 -31.1042 -31.1042 -31.0871 -31.0871 8.8582 8.8582 8.8745 8.8745 9.6298 9.6298 9.7482 9.7482 10.6679 10.6679 10.7024 10.7024 11.5973 11.5973 12.0224 12.0224 12.2237 12.2237 12.4430 12.4430 13.4673 13.4673 13.6450 13.6450 14.4718 14.4718 14.6538 14.6538 15.3245 15.3245 15.4083 15.4083 15.9364 15.9364 k = 0.5000 0.4564 0.4144 ( 3782 PWs) bands (ev): -77.9296 -77.9296 -77.9296 -77.9296 -44.7721 -44.7721 -44.7719 -44.7719 -31.3978 -31.3978 -31.3801 -31.3801 -31.1050 -31.1050 -31.0870 -31.0870 8.8764 8.8764 8.8949 8.8949 9.6333 9.6333 9.7572 9.7572 10.6824 10.6824 10.7085 10.7085 11.5478 11.5478 12.0203 12.0203 12.1638 12.1638 12.4252 12.4252 13.4763 13.4763 13.6439 13.6439 14.4481 14.4481 14.6244 14.6244 15.2744 15.2744 15.3461 15.3461 15.9181 15.9181 k = 0.5000 0.4426 0.4144 ( 3794 PWs) bands (ev): -77.9297 -77.9297 -77.9297 -77.9297 -44.7720 -44.7720 -44.7718 -44.7718 -31.3972 -31.3972 -31.3786 -31.3786 -31.1057 -31.1057 -31.0869 -31.0869 8.8956 8.8956 8.9164 8.9164 9.6372 9.6372 9.7664 9.7664 10.6961 10.6961 10.7117 10.7117 11.4935 11.4935 11.9932 11.9932 12.1308 12.1308 12.4124 12.4124 13.4871 13.4871 13.6443 13.6443 14.4218 14.4218 14.5918 14.5918 15.2158 15.2158 15.2770 15.2770 15.9077 15.9077 k = 0.5000 0.4287 0.4144 ( 3792 PWs) bands (ev): -77.9297 -77.9297 -77.9297 -77.9297 -44.7718 -44.7718 -44.7717 -44.7717 -31.3965 -31.3965 -31.3771 -31.3771 -31.1064 -31.1064 -31.0868 -31.0868 8.9156 8.9156 8.9389 8.9389 9.6416 9.6416 9.7760 9.7760 10.7083 10.7083 10.7113 10.7113 11.4362 11.4362 11.9419 11.9419 12.1247 12.1247 12.4038 12.4038 13.4996 13.4996 13.6461 13.6461 14.3938 14.3938 14.5567 14.5567 15.1516 15.1516 15.2040 15.2040 15.9030 15.9030 k = 0.5000 0.4149 0.4144 ( 3790 PWs) bands (ev): -77.9297 -77.9297 -77.9297 -77.9297 -44.7717 -44.7717 -44.7715 -44.7715 -31.3957 -31.3957 -31.3756 -31.3756 -31.1071 -31.1071 -31.0867 -31.0867 8.9363 8.9363 8.9623 8.9623 9.6462 9.6462 9.7857 9.7857 10.7067 10.7067 10.7181 10.7181 11.3777 11.3777 11.8827 11.8827 12.1301 12.1301 12.3985 12.3985 13.5134 13.5134 13.6488 13.6488 14.3648 14.3648 14.5201 14.5201 15.0842 15.0842 15.1292 15.1292 15.9019 15.9019 k = 0.5000 0.4011 0.4144 ( 3786 PWs) bands (ev): -77.9297 -77.9297 -77.9297 -77.9297 -44.7715 -44.7715 -44.7714 -44.7714 -31.3948 -31.3948 -31.3741 -31.3741 -31.1078 -31.1078 -31.0867 -31.0867 8.9575 8.9575 8.9866 8.9866 9.6510 9.6510 9.7956 9.7956 10.6975 10.6975 10.7244 10.7244 11.3201 11.3201 11.8243 11.8243 12.1389 12.1389 12.3955 12.3955 13.5281 13.5281 13.6519 13.6519 14.3360 14.3360 14.4832 14.4832 15.0155 15.0155 15.0542 15.0542 15.9032 15.9032 k = 0.5000 0.3872 0.4144 ( 3786 PWs) bands (ev): -77.9298 -77.9298 -77.9298 -77.9298 -44.7714 -44.7714 -44.7712 -44.7712 -31.3939 -31.3939 -31.3726 -31.3726 -31.1084 -31.1084 -31.0868 -31.0868 8.9792 8.9792 9.0116 9.0116 9.6559 9.6559 9.8056 9.8056 10.6831 10.6831 10.7257 10.7257 11.2658 11.2658 11.7699 11.7699 12.1481 12.1481 12.3937 12.3937 13.5431 13.5431 13.6549 13.6549 14.3087 14.3087 14.4473 14.4473 14.9469 14.9469 14.9803 14.9803 15.9058 15.9058 k = 0.5000 0.3734 0.4144 ( 3786 PWs) bands (ev): -77.9298 -77.9298 -77.9298 -77.9298 -44.7712 -44.7712 -44.7710 -44.7710 -31.3929 -31.3929 -31.3711 -31.3711 -31.1090 -31.1090 -31.0869 -31.0869 9.0012 9.0012 9.0371 9.0371 9.6608 9.6608 9.8158 9.8158 10.6636 10.6636 10.7205 10.7205 11.2171 11.2171 11.7208 11.7208 12.1567 12.1567 12.3924 12.3924 13.5578 13.5578 13.6569 13.6569 14.2842 14.2842 14.4138 14.4138 14.8793 14.8793 14.9085 14.9085 15.9093 15.9093 k = 0.5000 0.3596 0.4144 ( 3790 PWs) bands (ev): -77.9298 -77.9298 -77.9298 -77.9298 -44.7711 -44.7711 -44.7709 -44.7709 -31.3918 -31.3918 -31.3696 -31.3696 -31.1095 -31.1095 -31.0870 -31.0870 9.0232 9.0232 9.0630 9.0630 9.6656 9.6656 9.8259 9.8259 10.6391 10.6391 10.7072 10.7072 11.1763 11.1763 11.6774 11.6774 12.1642 12.1642 12.3907 12.3907 13.5715 13.5715 13.6574 13.6574 14.2640 14.2640 14.3841 14.3841 14.8134 14.8134 14.8395 14.8395 15.9133 15.9133 k = 0.5000 0.3457 0.4144 ( 3800 PWs) bands (ev): -77.9299 -77.9299 -77.9299 -77.9299 -44.7709 -44.7709 -44.7708 -44.7708 -31.3907 -31.3907 -31.3682 -31.3682 -31.1100 -31.1100 -31.0873 -31.0873 9.0450 9.0450 9.0890 9.0890 9.6703 9.6703 9.8360 9.8360 10.6102 10.6102 10.6849 10.6849 11.1450 11.1450 11.6395 11.6395 12.1703 12.1703 12.3880 12.3880 13.5833 13.5833 13.6554 13.6554 14.2491 14.2491 14.3596 14.3596 14.7498 14.7498 14.7739 14.7739 15.9177 15.9177 k = 0.5000 0.3319 0.4144 ( 3800 PWs) bands (ev): -77.9299 -77.9299 -77.9299 -77.9299 -44.7708 -44.7708 -44.7706 -44.7706 -31.3896 -31.3896 -31.3669 -31.3669 -31.1105 -31.1105 -31.0875 -31.0875 9.0666 9.0666 9.1150 9.1150 9.6748 9.6748 9.8460 9.8460 10.5775 10.5775 10.6541 10.6541 11.1232 11.1232 11.6066 11.6066 12.1750 12.1750 12.3837 12.3837 13.5925 13.5925 13.6507 13.6507 14.2402 14.2402 14.3413 14.3413 14.6894 14.6894 14.7128 14.7128 15.9224 15.9224 k = 0.5000 0.3181 0.4144 ( 3802 PWs) bands (ev): -77.9299 -77.9299 -77.9299 -77.9299 -44.7706 -44.7706 -44.7705 -44.7705 -31.3883 -31.3883 -31.3655 -31.3655 -31.1109 -31.1109 -31.0878 -31.0878 9.0875 9.0875 9.1406 9.1406 9.6789 9.6789 9.8558 9.8558 10.5422 10.5422 10.6163 10.6163 11.1097 11.1097 11.5778 11.5778 12.1782 12.1782 12.3777 12.3777 13.5985 13.5985 13.6432 13.6432 14.2366 14.2366 14.3292 14.3292 14.6333 14.6333 14.6574 14.6574 15.9273 15.9273 k = 0.5000 0.3043 0.4144 ( 3804 PWs) bands (ev): -77.9300 -77.9300 -77.9300 -77.9300 -44.7705 -44.7705 -44.7703 -44.7703 -31.3871 -31.3871 -31.3643 -31.3643 -31.1112 -31.1112 -31.0881 -31.0881 9.1075 9.1075 9.1654 9.1654 9.6827 9.6827 9.8654 9.8654 10.5053 10.5053 10.5739 10.5739 11.1028 11.1028 11.5523 11.5523 12.1800 12.1800 12.3694 12.3694 13.6011 13.6011 13.6333 13.6333 14.2367 14.2367 14.3216 14.3216 14.5841 14.5841 14.6098 14.6098 15.9325 15.9325 k = 0.5000 0.2904 0.4144 ( 3796 PWs) bands (ev): -77.9300 -77.9300 -77.9300 -77.9300 -44.7703 -44.7703 -44.7701 -44.7701 -31.3858 -31.3858 -31.3631 -31.3631 -31.1115 -31.1115 -31.0885 -31.0885 9.1264 9.1264 9.1892 9.1892 9.6862 9.6862 9.8746 9.8746 10.4680 10.4680 10.5293 10.5293 11.1003 11.1003 11.5290 11.5290 12.1805 12.1805 12.3591 12.3591 13.6006 13.6006 13.6216 13.6216 14.2368 14.2368 14.3141 14.3141 14.5462 14.5462 14.5732 14.5732 15.9379 15.9379 k = 0.5000 0.2766 0.4144 ( 3794 PWs) bands (ev): -77.9300 -77.9300 -77.9300 -77.9300 -44.7701 -44.7701 -44.7699 -44.7699 -31.3844 -31.3844 -31.3619 -31.3619 -31.1117 -31.1117 -31.0889 -31.0889 9.1438 9.1438 9.2114 9.2114 9.6896 9.6896 9.8833 9.8833 10.4313 10.4313 10.4844 10.4844 11.1007 11.1007 11.5072 11.5072 12.1799 12.1799 12.3466 12.3466 13.5974 13.5974 13.6090 13.6090 14.2319 14.2319 14.2997 14.2997 14.5265 14.5265 14.5522 14.5522 15.9436 15.9436 k = 0.5000 0.2628 0.4144 ( 3796 PWs) bands (ev): -77.9300 -77.9300 -77.9300 -77.9300 -44.7700 -44.7700 -44.7698 -44.7698 -31.3831 -31.3831 -31.3608 -31.3608 -31.1119 -31.1119 -31.0894 -31.0894 9.1595 9.1595 9.2315 9.2315 9.6930 9.6930 9.8916 9.8916 10.3962 10.3962 10.4409 10.4409 11.1026 11.1026 11.4861 11.4861 12.1782 12.1782 12.3321 12.3321 13.5925 13.5925 13.5963 13.5963 14.2176 14.2176 14.2733 14.2733 14.5294 14.5294 14.5503 14.5503 15.9496 15.9496 k = 0.5000 0.2489 0.4144 ( 3786 PWs) bands (ev): -77.9301 -77.9301 -77.9301 -77.9301 -44.7698 -44.7698 -44.7696 -44.7696 -31.3817 -31.3817 -31.3598 -31.3598 -31.1120 -31.1120 -31.0899 -31.0899 9.1732 9.1732 9.2489 9.2489 9.6968 9.6968 9.8993 9.8993 10.3634 10.3634 10.3998 10.3998 11.1053 11.1053 11.4652 11.4652 12.1757 12.1757 12.3161 12.3161 13.5840 13.5840 13.5865 13.5865 14.1932 14.1932 14.2365 14.2365 14.5526 14.5526 14.5676 14.5676 15.9559 15.9559 k = 0.5000 0.2351 0.4144 ( 3788 PWs) bands (ev): -77.9301 -77.9301 -77.9301 -77.9301 -44.7696 -44.7696 -44.7695 -44.7695 -31.3803 -31.3803 -31.3589 -31.3589 -31.1120 -31.1120 -31.0905 -31.0905 9.1845 9.1845 9.2631 9.2631 9.7014 9.7014 9.9065 9.9065 10.3335 10.3335 10.3620 10.3620 11.1081 11.1081 11.4441 11.4441 12.1726 12.1726 12.2988 12.2988 13.5725 13.5725 13.5801 13.5801 14.1614 14.1614 14.1939 14.1939 14.5903 14.5903 14.6007 14.6007 15.9623 15.9623 k = 0.5000 0.2213 0.4144 ( 3796 PWs) bands (ev): -77.9301 -77.9301 -77.9301 -77.9301 -44.7695 -44.7695 -44.7693 -44.7693 -31.3789 -31.3789 -31.3582 -31.3582 -31.1120 -31.1120 -31.0911 -31.0911 9.1933 9.1933 9.2734 9.2734 9.7074 9.7074 9.9132 9.9132 10.3067 10.3067 10.3280 10.3280 11.1107 11.1107 11.4226 11.4226 12.1689 12.1689 12.2806 12.2806 13.5620 13.5620 13.5737 13.5737 14.1256 14.1256 14.1494 14.1494 14.6384 14.6384 14.6457 14.6457 15.9689 15.9689 k = 0.5000 0.2074 0.4144 ( 3796 PWs) bands (ev): -77.9302 -77.9302 -77.9301 -77.9301 -44.7694 -44.7694 -44.7692 -44.7692 -31.3774 -31.3774 -31.3574 -31.3574 -31.1119 -31.1119 -31.0917 -31.0917 9.1996 9.1996 9.2795 9.2795 9.7152 9.7152 9.9194 9.9194 10.2834 10.2834 10.2982 10.2982 11.1128 11.1128 11.4008 11.4008 12.1650 12.1650 12.2622 12.2622 13.5524 13.5524 13.5675 13.5675 14.0886 14.0886 14.1051 14.1051 14.6941 14.6941 14.6995 14.6995 15.9757 15.9757 k = 0.5000 0.1936 0.4144 ( 3796 PWs) bands (ev): -77.9302 -77.9302 -77.9302 -77.9302 -44.7692 -44.7692 -44.7691 -44.7691 -31.3760 -31.3760 -31.3568 -31.3568 -31.1118 -31.1118 -31.0924 -31.0924 9.2032 9.2032 9.2814 9.2814 9.7251 9.7251 9.9252 9.9252 10.2633 10.2633 10.2724 10.2724 11.1143 11.1143 11.3786 11.3786 12.1607 12.1607 12.2438 12.2438 13.5434 13.5434 13.5614 13.5614 14.0522 14.0522 14.0625 14.0625 14.7554 14.7554 14.7597 14.7597 15.9825 15.9825 k = 0.5000 0.1798 0.4144 ( 3800 PWs) bands (ev): -77.9302 -77.9302 -77.9302 -77.9302 -44.7691 -44.7691 -44.7690 -44.7690 -31.3746 -31.3746 -31.3563 -31.3563 -31.1116 -31.1116 -31.0931 -31.0931 9.2042 9.2042 9.2792 9.2792 9.7372 9.7372 9.9308 9.9308 10.2463 10.2463 10.2505 10.2505 11.1153 11.1153 11.3562 11.3562 12.1564 12.1564 12.2259 12.2259 13.5347 13.5347 13.5551 13.5551 14.0176 14.0176 14.0225 14.0225 14.8210 14.8210 14.8250 14.8250 15.9894 15.9894 k = 0.5000 0.1660 0.4144 ( 3798 PWs) bands (ev): -77.9302 -77.9302 -77.9302 -77.9302 -44.7690 -44.7690 -44.7688 -44.7688 -31.3731 -31.3731 -31.3559 -31.3559 -31.1113 -31.1113 -31.0938 -31.0938 9.2029 9.2029 9.2733 9.2733 9.7514 9.7514 9.9362 9.9362 10.2321 10.2321 10.2322 10.2322 11.1158 11.1158 11.3339 11.3339 12.1519 12.1519 12.2089 12.2089 13.5261 13.5261 13.5484 13.5484 13.9859 13.9859 13.9861 13.9861 14.8900 14.8900 14.8942 14.8942 15.9963 15.9963 k = 0.5000 0.1521 0.4144 ( 3800 PWs) bands (ev): -77.9302 -77.9302 -77.9302 -77.9302 -44.7689 -44.7689 -44.7687 -44.7687 -31.3717 -31.3717 -31.3556 -31.3556 -31.1109 -31.1109 -31.0946 -31.0946 9.1995 9.1995 9.2644 9.2644 9.7673 9.7673 9.9415 9.9415 10.2171 10.2171 10.2202 10.2202 11.1159 11.1159 11.3119 11.3119 12.1474 12.1474 12.1929 12.1929 13.5171 13.5171 13.5408 13.5408 13.9538 13.9538 13.9574 13.9574 14.9616 14.9616 14.9662 14.9662 16.0032 16.0032 k = 0.5000 0.1383 0.4144 ( 3798 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7688 -44.7688 -44.7686 -44.7686 -31.3704 -31.3704 -31.3554 -31.3554 -31.1105 -31.1105 -31.0954 -31.0954 9.1946 9.1946 9.2532 9.2532 9.7847 9.7847 9.9467 9.9467 10.2047 10.2047 10.2104 10.2104 11.1158 11.1158 11.2904 11.2904 12.1430 12.1430 12.1784 12.1784 13.5076 13.5076 13.5320 13.5320 13.9261 13.9261 13.9327 13.9327 15.0348 15.0348 15.0401 15.0401 16.0102 16.0102 k = 0.5000 0.1245 0.4144 ( 3796 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7686 -44.7686 -44.7685 -44.7685 -31.3690 -31.3690 -31.3553 -31.3553 -31.1101 -31.1101 -31.0962 -31.0962 9.1884 9.1884 9.2407 9.2407 9.8031 9.8031 9.9517 9.9517 10.1945 10.1945 10.2022 10.2022 11.1158 11.1158 11.2697 11.2697 12.1387 12.1387 12.1653 12.1653 13.4975 13.4975 13.5218 13.5218 13.9031 13.9031 13.9118 13.9118 15.1088 15.1088 15.1151 15.1151 16.0173 16.0173 k = 0.5000 0.1106 0.4144 ( 3796 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7686 -44.7686 -44.7685 -44.7685 -31.3677 -31.3677 -31.3553 -31.3553 -31.1096 -31.1096 -31.0970 -31.0970 9.1817 9.1817 9.2274 9.2274 9.8218 9.8218 9.9563 9.9563 10.1861 10.1861 10.1953 10.1953 11.1158 11.1158 11.2500 11.2500 12.1346 12.1346 12.1537 12.1537 13.4869 13.4869 13.5104 13.5104 13.8849 13.8849 13.8946 13.8946 15.1829 15.1829 15.1902 15.1902 16.0245 16.0245 k = 0.5000 0.0968 0.4144 ( 3800 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7685 -44.7685 -44.7684 -44.7684 -31.3664 -31.3664 -31.3554 -31.3554 -31.1090 -31.1090 -31.0979 -31.0979 9.1747 9.1747 9.2140 9.2140 9.8407 9.8407 9.9603 9.9603 10.1793 10.1793 10.1894 10.1894 11.1163 11.1163 11.2315 11.2315 12.1306 12.1306 12.1438 12.1438 13.4762 13.4762 13.4980 13.4980 13.8709 13.8709 13.8809 13.8809 15.2558 15.2558 15.2642 15.2642 16.0322 16.0322 k = 0.5000 0.0830 0.4144 ( 3794 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7684 -44.7684 -44.7683 -44.7683 -31.3651 -31.3651 -31.3556 -31.3556 -31.1084 -31.1084 -31.0987 -31.0987 9.1680 9.1680 9.2011 9.2011 9.8592 9.8592 9.9634 9.9634 10.1739 10.1739 10.1843 10.1843 11.1173 11.1173 11.2144 11.2144 12.1269 12.1269 12.1355 12.1355 13.4657 13.4657 13.4853 13.4853 13.8607 13.8607 13.8703 13.8703 15.3265 15.3265 15.3358 15.3358 16.0405 16.0405 k = 0.5000 0.0691 0.4144 ( 3798 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7683 -44.7683 -44.7683 -44.7683 -31.3640 -31.3640 -31.3559 -31.3559 -31.1077 -31.1077 -31.0996 -31.0996 9.1620 9.1620 9.1891 9.1891 9.8770 9.8770 9.9651 9.9651 10.1696 10.1696 10.1797 10.1797 11.1190 11.1190 11.1986 11.1986 12.1236 12.1236 12.1286 12.1286 13.4560 13.4560 13.4728 13.4728 13.8537 13.8537 13.8622 13.8622 15.3932 15.3932 15.4030 15.4030 16.0495 16.0496 k = 0.5000 0.0553 0.4144 ( 3800 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7683 -44.7683 -44.7682 -44.7682 -31.3628 -31.3628 -31.3563 -31.3563 -31.1070 -31.1070 -31.1005 -31.1005 9.1571 9.1571 9.1785 9.1785 9.8938 9.8938 9.9654 9.9654 10.1664 10.1664 10.1756 10.1756 11.1215 11.1215 11.1844 11.1844 12.1206 12.1206 12.1233 12.1233 13.4475 13.4475 13.4612 13.4612 13.8491 13.8491 13.8562 13.8562 15.4540 15.4540 15.4638 15.4638 16.0595 16.0595 k = 0.5000 0.0415 0.4144 ( 3798 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3618 -31.3618 -31.3569 -31.3569 -31.1063 -31.1063 -31.1013 -31.1013 9.1535 9.1535 9.1693 9.1693 9.9093 9.9093 9.9637 9.9637 10.1644 10.1644 10.1721 10.1721 11.1250 11.1250 11.1716 11.1716 12.1181 12.1181 12.1194 12.1194 13.4409 13.4409 13.4513 13.4513 13.8464 13.8464 13.8518 13.8518 15.5064 15.5064 15.5153 15.5153 16.0702 16.0712 k = 0.5000 0.0277 0.4144 ( 3802 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3608 -31.3608 -31.3575 -31.3575 -31.1055 -31.1055 -31.1022 -31.1022 9.1515 9.1515 9.1619 9.1619 9.9234 9.9234 9.9599 9.9599 10.1635 10.1635 10.1690 10.1690 11.1295 11.1295 11.1604 11.1604 12.1162 12.1162 12.1167 12.1167 13.4363 13.4363 13.4433 13.4433 13.8450 13.8450 13.8487 13.8487 15.5476 15.5476 15.5544 15.5544 16.0814 16.0831 k = 0.5000 0.0138 0.4144 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3598 -31.3598 -31.3582 -31.3582 -31.1047 -31.1047 -31.1031 -31.1031 9.1512 9.1512 9.1564 9.1564 9.9356 9.9356 9.9540 9.9540 10.1636 10.1636 10.1665 10.1665 11.1353 11.1353 11.1506 11.1506 12.1151 12.1151 12.1151 12.1151 13.4341 13.4341 13.4376 13.4376 13.8447 13.8447 13.8466 13.8466 15.5746 15.5746 15.5784 15.5784 16.0894 16.0902 k = 0.5000-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3589 -31.3589 -31.1039 -31.1039 -31.1039 -31.1039 9.1528 9.1528 9.1528 9.1528 9.9459 9.9459 9.9459 9.9459 10.1646 10.1646 10.1646 10.1646 11.1423 11.1423 11.1423 11.1423 12.1146 12.1146 12.1146 12.1146 13.4346 13.4346 13.4346 13.4346 13.8453 13.8453 13.8453 13.8453 15.5853 15.5853 15.5853 15.5853 16.0924 16.0924 k = 0.5000-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3589 -31.3589 -31.1039 -31.1039 -31.1039 -31.1039 9.1528 9.1528 9.1528 9.1528 9.9459 9.9459 9.9459 9.9459 10.1646 10.1646 10.1646 10.1646 11.1423 11.1423 11.1423 11.1423 12.1146 12.1146 12.1146 12.1146 13.4346 13.4346 13.4346 13.4346 13.8453 13.8453 13.8453 13.8453 15.5853 15.5853 15.5853 15.5853 16.0924 16.0924 k = 0.5000-0.0000 0.4006 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3590 -31.3590 -31.3589 -31.3589 -31.1039 -31.1039 -31.1039 -31.1039 9.1511 9.1511 9.1522 9.1522 9.9426 9.9426 9.9464 9.9464 10.1641 10.1641 10.1645 10.1645 11.1426 11.1426 11.1431 11.1431 12.1073 12.1073 12.1223 12.1223 13.4300 13.4300 13.4408 13.4408 13.8458 13.8458 13.8475 13.8475 15.5817 15.5817 15.5862 15.5862 16.0933 16.0949 k = 0.5000-0.0000 0.3868 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3590 -31.3590 -31.3589 -31.3589 -31.1039 -31.1039 -31.1039 -31.1039 9.1471 9.1471 9.1491 9.1491 9.9368 9.9368 9.9442 9.9442 10.1631 10.1631 10.1638 10.1638 11.1439 11.1439 11.1448 11.1448 12.1003 12.1003 12.1301 12.1301 13.4272 13.4272 13.4487 13.4487 13.8492 13.8492 13.8525 13.8525 15.5756 15.5756 15.5844 15.5844 16.0990 16.0991 k = 0.5000-0.0000 0.3730 ( 3798 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3589 -31.3589 -31.1039 -31.1039 -31.1038 -31.1038 9.1406 9.1406 9.1437 9.1437 9.9286 9.9286 9.9395 9.9395 10.1616 10.1616 10.1623 10.1623 11.1463 11.1463 11.1473 11.1473 12.0940 12.0940 12.1379 12.1379 13.4261 13.4261 13.4583 13.4583 13.8553 13.8553 13.8603 13.8603 15.5671 15.5671 15.5801 15.5801 16.1092 16.1095 k = 0.5000-0.0000 0.3592 ( 3794 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7681 -44.7681 -31.3589 -31.3589 -31.3589 -31.3589 -31.1039 -31.1039 -31.1038 -31.1038 9.1319 9.1319 9.1358 9.1358 9.9184 9.9184 9.9325 9.9325 10.1595 10.1595 10.1602 10.1602 11.1496 11.1496 11.1504 11.1504 12.0885 12.0885 12.1454 12.1454 13.4270 13.4270 13.4694 13.4694 13.8640 13.8640 13.8709 13.8709 15.5563 15.5563 15.5732 15.5732 16.1238 16.1276 k = 0.5000-0.0000 0.3454 ( 3798 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3588 -31.3588 -31.1039 -31.1039 -31.1038 -31.1038 9.1209 9.1209 9.1257 9.1257 9.9065 9.9065 9.9235 9.9235 10.1570 10.1570 10.1572 10.1572 11.1536 11.1536 11.1537 11.1537 12.0837 12.0837 12.1525 12.1525 13.4297 13.4297 13.4820 13.4820 13.8754 13.8754 13.8842 13.8842 15.5434 15.5434 15.5639 15.5639 16.1418 16.1418 k = 0.5000-0.0000 0.3316 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3588 -31.3588 -31.1039 -31.1039 -31.1038 -31.1038 9.1078 9.1078 9.1133 9.1133 9.8934 9.8934 9.9129 9.9129 10.1536 10.1536 10.1539 10.1539 11.1570 11.1570 11.1579 11.1579 12.0799 12.0799 12.1591 12.1591 13.4345 13.4345 13.4960 13.4960 13.8895 13.8895 13.9002 13.9002 15.5286 15.5286 15.5525 15.5525 16.1630 16.1633 k = 0.5000-0.0000 0.3177 ( 3798 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7681 -44.7681 -31.3589 -31.3589 -31.3588 -31.3588 -31.1039 -31.1039 -31.1038 -31.1038 9.0926 9.0926 9.0987 9.0987 9.8795 9.8795 9.9012 9.9012 10.1492 10.1492 10.1503 10.1503 11.1601 11.1601 11.1625 11.1625 12.0770 12.0770 12.1651 12.1651 13.4412 13.4412 13.5114 13.5114 13.9061 13.9061 13.9189 13.9189 15.5121 15.5121 15.5390 15.5390 16.1867 16.1887 k = 0.5000-0.0000 0.3039 ( 3792 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7681 -44.7681 -44.7681 -44.7681 -31.3589 -31.3589 -31.3587 -31.3587 -31.1039 -31.1039 -31.1037 -31.1037 9.0755 9.0755 9.0821 9.0821 9.8651 9.8651 9.8888 9.8888 10.1442 10.1442 10.1461 10.1461 11.1627 11.1627 11.1670 11.1670 12.0750 12.0750 12.1704 12.1704 13.4499 13.4499 13.5281 13.5281 13.9253 13.9253 13.9401 13.9401 15.4939 15.4939 15.5236 15.5236 16.2120 16.2177 k = 0.5000-0.0000 0.2901 ( 3792 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7681 -44.7681 -44.7681 -44.7681 -31.3588 -31.3588 -31.3587 -31.3587 -31.1039 -31.1039 -31.1037 -31.1037 9.0566 9.0566 9.0636 9.0636 9.8506 9.8506 9.8761 9.8761 10.1387 10.1387 10.1414 10.1414 11.1645 11.1645 11.1711 11.1711 12.0741 12.0741 12.1748 12.1748 13.4605 13.4605 13.5458 13.5458 13.9471 13.9471 13.9638 13.9638 15.4742 15.4742 15.5065 15.5065 16.2384 16.2465 k = 0.5000-0.0000 0.2763 ( 3796 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7681 -44.7681 -44.7681 -44.7681 -31.3588 -31.3588 -31.3586 -31.3586 -31.1039 -31.1039 -31.1037 -31.1037 9.0362 9.0362 9.0434 9.0434 9.8364 9.8364 9.8633 9.8633 10.1327 10.1327 10.1363 10.1363 11.1655 11.1655 11.1747 11.1747 12.0740 12.0740 12.1784 12.1784 13.4729 13.4729 13.5644 13.5644 13.9713 13.9713 13.9898 13.9898 15.4531 15.4531 15.4879 15.4879 16.2653 16.2714 k = 0.5000-0.0000 0.2625 ( 3790 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7681 -44.7681 -44.7681 -44.7681 -31.3587 -31.3587 -31.3586 -31.3586 -31.1039 -31.1039 -31.1036 -31.1036 9.0144 9.0144 9.0218 9.0218 9.8226 9.8226 9.8507 9.8507 10.1263 10.1263 10.1306 10.1306 11.1657 11.1657 11.1775 11.1775 12.0748 12.0748 12.1812 12.1812 13.4871 13.4871 13.5836 13.5836 13.9981 13.9981 14.0181 14.0181 15.4307 15.4307 15.4677 15.4677 16.2914 16.2951 k = 0.5000-0.0000 0.2487 ( 3786 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7681 -44.7681 -44.7681 -44.7681 -31.3587 -31.3587 -31.3585 -31.3585 -31.1039 -31.1039 -31.1036 -31.1036 8.9915 8.9915 8.9989 8.9989 9.8095 9.8095 9.8386 9.8386 10.1197 10.1197 10.1246 10.1246 11.1650 11.1650 11.1796 11.1796 12.0763 12.0763 12.1833 12.1833 13.5029 13.5029 13.6033 13.6033 14.0272 14.0272 14.0484 14.0484 15.4071 15.4071 15.4463 15.4463 16.3182 16.3195 k = 0.5000-0.0000 0.2349 ( 3778 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3586 -31.3586 -31.3585 -31.3585 -31.1038 -31.1038 -31.1036 -31.1036 8.9678 8.9678 8.9752 8.9752 9.7973 9.7973 9.8270 9.8270 10.1128 10.1128 10.1182 10.1182 11.1634 11.1634 11.1807 11.1807 12.0786 12.0786 12.1846 12.1846 13.5200 13.5200 13.6231 13.6231 14.0586 14.0586 14.0806 14.0806 15.3824 15.3824 15.4235 15.4235 16.3425 16.3430 k = 0.5000-0.0000 0.2210 ( 3774 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3586 -31.3586 -31.3584 -31.3584 -31.1038 -31.1038 -31.1035 -31.1035 8.9436 8.9436 8.9509 8.9509 9.7859 9.7859 9.8161 9.8161 10.1058 10.1058 10.1115 10.1115 11.1610 11.1610 11.1809 11.1809 12.0815 12.0815 12.1853 12.1853 13.5382 13.5382 13.6427 13.6427 14.0923 14.0923 14.1145 14.1145 15.3567 15.3567 15.3996 15.3996 16.3652 16.3654 k = 0.5000-0.0000 0.2072 ( 3778 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3586 -31.3586 -31.3584 -31.3584 -31.1038 -31.1038 -31.1035 -31.1035 8.9192 8.9192 8.9263 8.9263 9.7755 9.7755 9.8059 9.8059 10.0987 10.0987 10.1047 10.1047 11.1580 11.1580 11.1801 11.1801 12.0848 12.0848 12.1854 12.1854 13.5573 13.5573 13.6621 13.6621 14.1279 14.1279 14.1499 14.1499 15.3300 15.3300 15.3745 15.3745 16.3863 16.3874 k = 0.5000-0.0000 0.1934 ( 3778 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3585 -31.3585 -31.3584 -31.3584 -31.1037 -31.1037 -31.1035 -31.1035 8.8948 8.8948 8.9017 8.9017 9.7661 9.7661 9.7964 9.7964 10.0917 10.0917 10.0977 10.0977 11.1544 11.1544 11.1784 11.1784 12.0885 12.0885 12.1850 12.1850 13.5771 13.5771 13.6809 13.6809 14.1654 14.1654 14.1866 14.1866 15.3026 15.3026 15.3483 15.3483 16.4064 16.4071 k = 0.5000-0.0000 0.1796 ( 3778 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3585 -31.3585 -31.3583 -31.3583 -31.1037 -31.1037 -31.1034 -31.1034 8.8708 8.8708 8.8774 8.8774 9.7578 9.7578 9.7877 9.7877 10.0848 10.0848 10.0907 10.0907 11.1504 11.1504 11.1758 11.1758 12.0926 12.0926 12.1841 12.1841 13.5972 13.5972 13.6988 13.6988 14.2045 14.2045 14.2243 14.2243 15.2744 15.2744 15.3212 15.3212 16.4253 16.4265 k = 0.5000-0.0000 0.1658 ( 3778 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7680 -44.7680 -31.3584 -31.3584 -31.3583 -31.3583 -31.1037 -31.1037 -31.1034 -31.1034 8.8475 8.8475 8.8537 8.8537 9.7504 9.7504 9.7796 9.7796 10.0781 10.0781 10.0838 10.0838 11.1462 11.1462 11.1725 11.1725 12.0970 12.0970 12.1829 12.1829 13.6176 13.6176 13.7158 13.7158 14.2449 14.2449 14.2629 14.2629 15.2456 15.2456 15.2931 15.2931 16.4431 16.4432 k = 0.5000-0.0000 0.1520 ( 3780 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7680 -44.7680 -31.3584 -31.3584 -31.3582 -31.3582 -31.1037 -31.1037 -31.1034 -31.1034 8.8250 8.8250 8.8309 8.8309 9.7440 9.7440 9.7723 9.7723 10.0717 10.0717 10.0771 10.0771 11.1418 11.1418 11.1685 11.1685 12.1015 12.1015 12.1813 12.1813 13.6378 13.6378 13.7317 13.7317 14.2863 14.2863 14.3020 14.3020 15.2163 15.2163 15.2641 15.2641 16.4598 16.4605 k = 0.5000-0.0000 0.1381 ( 3776 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7680 -44.7680 -44.7679 -44.7679 -31.3583 -31.3583 -31.3582 -31.3582 -31.1036 -31.1036 -31.1034 -31.1034 8.8038 8.8038 8.8092 8.8092 9.7386 9.7386 9.7656 9.7656 10.0656 10.0656 10.0706 10.0706 11.1376 11.1376 11.1641 11.1641 12.1062 12.1062 12.1795 12.1795 13.6578 13.6578 13.7462 13.7462 14.3284 14.3284 14.3414 14.3414 15.1866 15.1866 15.2344 15.2344 16.4752 16.4753 k = 0.5000-0.0000 0.1243 ( 3780 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7680 -44.7680 -31.3583 -31.3583 -31.3582 -31.3582 -31.1036 -31.1036 -31.1034 -31.1034 8.7839 8.7839 8.7889 8.7889 9.7341 9.7341 9.7594 9.7594 10.0599 10.0599 10.0644 10.0644 11.1335 11.1335 11.1593 11.1593 12.1109 12.1109 12.1775 12.1775 13.6771 13.6771 13.7593 13.7593 14.3708 14.3708 14.3808 14.3808 15.1567 15.1567 15.2040 15.2040 16.4895 16.4897 k = 0.5000-0.0000 0.1105 ( 3778 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7679 -44.7679 -31.3582 -31.3582 -31.3581 -31.3581 -31.1036 -31.1036 -31.1034 -31.1034 8.7656 8.7656 8.7701 8.7701 9.7305 9.7305 9.7539 9.7539 10.0546 10.0546 10.0587 10.0587 11.1298 11.1298 11.1542 11.1542 12.1157 12.1157 12.1752 12.1752 13.6957 13.6957 13.7708 13.7708 14.4130 14.4130 14.4198 14.4198 15.1269 15.1269 15.1731 15.1731 16.5026 16.5033 k = 0.5000-0.0000 0.0967 ( 3778 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7679 -44.7679 -31.3582 -31.3582 -31.3581 -31.3581 -31.1035 -31.1035 -31.1034 -31.1034 8.7491 8.7491 8.7531 8.7531 9.7276 9.7276 9.7488 9.7488 10.0498 10.0498 10.0534 10.0534 11.1265 11.1265 11.1491 11.1491 12.1204 12.1204 12.1727 12.1727 13.7133 13.7133 13.7806 13.7806 14.4546 14.4546 14.4580 14.4580 15.0973 15.0973 15.1418 15.1418 16.5145 16.5149 k = 0.5000-0.0000 0.0829 ( 3780 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7679 -44.7679 -31.3582 -31.3582 -31.3581 -31.3581 -31.1035 -31.1035 -31.1034 -31.1034 8.7345 8.7345 8.7379 8.7379 9.7255 9.7255 9.7442 9.7442 10.0456 10.0456 10.0486 10.0486 11.1238 11.1238 11.1441 11.1441 12.1251 12.1251 12.1700 12.1700 13.7298 13.7298 13.7886 13.7886 14.4948 14.4948 14.4951 14.4951 15.0685 15.0685 15.1106 15.1106 16.5249 16.5254 k = 0.5000-0.0000 0.0691 ( 3782 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7680 -44.7680 -44.7679 -44.7679 -31.3582 -31.3582 -31.3581 -31.3581 -31.1035 -31.1035 -31.1034 -31.1034 8.7219 8.7219 8.7248 8.7248 9.7241 9.7241 9.7401 9.7401 10.0420 10.0420 10.0445 10.0445 11.1217 11.1217 11.1393 11.1393 12.1296 12.1296 12.1672 12.1672 13.7448 13.7448 13.7946 13.7946 14.5303 14.5303 14.5330 14.5330 15.0410 15.0410 15.0798 15.0798 16.5339 16.5345 k = 0.5000-0.0000 0.0553 ( 3774 PWs) bands (ev): -77.9303 -77.9303 -77.9303 -77.9303 -44.7679 -44.7679 -44.7679 -44.7679 -31.3581 -31.3581 -31.3580 -31.3580 -31.1035 -31.1035 -31.1033 -31.1033 8.7116 8.7116 8.7139 8.7139 9.7234 9.7234 9.7364 9.7364 10.0391 10.0391 10.0410 10.0410 11.1203 11.1203 11.1348 11.1348 12.1341 12.1341 12.1642 12.1642 13.7584 13.7584 13.7988 13.7988 14.5631 14.5631 14.5679 14.5679 15.0158 15.0158 15.0502 15.0502 16.5417 16.5418 k = 0.5000-0.0000 0.0414 ( 3778 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7679 -44.7679 -44.7679 -44.7679 -31.3581 -31.3581 -31.3580 -31.3580 -31.1034 -31.1034 -31.1034 -31.1034 8.7035 8.7035 8.7053 8.7053 9.7232 9.7232 9.7332 9.7332 10.0368 10.0368 10.0382 10.0382 11.1196 11.1196 11.1307 11.1307 12.1384 12.1384 12.1611 12.1611 13.7702 13.7702 13.8008 13.8008 14.5922 14.5922 14.5982 14.5982 14.9942 14.9942 15.0227 15.0227 16.5478 16.5479 k = 0.5000-0.0000 0.0276 ( 3782 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7679 -44.7679 -44.7679 -44.7679 -31.3581 -31.3581 -31.3580 -31.3580 -31.1034 -31.1034 -31.1034 -31.1034 8.6977 8.6977 8.6989 8.6989 9.7236 9.7236 9.7304 9.7304 10.0352 10.0352 10.0361 10.0361 11.1196 11.1196 11.1272 11.1272 12.1426 12.1426 12.1577 12.1577 13.7803 13.7803 13.8008 13.8008 14.6162 14.6162 14.6217 14.6217 14.9780 14.9780 14.9988 14.9988 16.5524 16.5531 k = 0.5000-0.0000 0.0138 ( 3776 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7679 -44.7679 -44.7679 -44.7679 -31.3581 -31.3581 -31.3580 -31.3580 -31.1034 -31.1034 -31.1034 -31.1034 8.6944 8.6944 8.6950 8.6950 9.7246 9.7246 9.7280 9.7280 10.0343 10.0343 10.0348 10.0348 11.1204 11.1204 11.1242 11.1242 12.1466 12.1466 12.1542 12.1542 13.7885 13.7885 13.7988 13.7988 14.6329 14.6329 14.6363 14.6363 14.9695 14.9695 14.9806 14.9806 16.5554 16.5557 k = 0.5000-0.0000-0.0000 ( 3780 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7679 -44.7679 -44.7679 -44.7679 -31.3581 -31.3581 -31.3581 -31.3581 -31.1034 -31.1034 -31.1034 -31.1034 8.6935 8.6935 8.6935 8.6935 9.7261 9.7261 9.7261 9.7261 10.0341 10.0341 10.0341 10.0341 11.1220 11.1220 11.1220 11.1220 12.1505 12.1505 12.1505 12.1505 13.7946 13.7946 13.7946 13.7946 14.6401 14.6401 14.6401 14.6401 14.9703 14.9703 14.9703 14.9703 16.5566 16.5566 k = 0.0000 0.0000 0.4144 ( 3794 PWs) bands (ev): -77.9564 -77.9564 -77.9042 -77.9042 -44.8324 -44.8324 -44.7035 -44.7035 -31.5302 -31.5302 -31.2051 -31.2051 -31.1680 -31.1680 -31.0184 -31.0184 7.1989 7.1989 9.3884 9.3884 9.5325 9.5325 10.1597 10.1597 10.3165 10.3165 10.3555 10.3555 11.4606 11.4606 11.5068 11.5068 12.0642 12.0642 12.1817 12.1817 12.2546 12.2546 12.8184 12.8184 13.0985 13.0985 13.5266 13.5266 13.9454 13.9454 14.5731 14.5731 16.2335 16.2335 k = 0.0139-0.0000 0.4144 ( 3796 PWs) bands (ev): -77.9564 -77.9564 -77.9043 -77.9043 -44.8324 -44.8324 -44.7036 -44.7036 -31.5301 -31.5301 -31.2052 -31.2052 -31.1679 -31.1679 -31.0185 -31.0185 7.2008 7.2008 9.3881 9.3881 9.5338 9.5338 10.1596 10.1596 10.3166 10.3166 10.3571 10.3571 11.4476 11.4476 11.5169 11.5169 12.0630 12.0630 12.1740 12.1740 12.2672 12.2672 12.8157 12.8157 13.1026 13.1026 13.5238 13.5238 13.9490 13.9490 14.5741 14.5741 16.2343 16.2343 k = 0.0278-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9563 -77.9563 -77.9043 -77.9043 -44.8322 -44.8322 -44.7038 -44.7038 -31.5295 -31.5295 -31.2057 -31.2057 -31.1677 -31.1677 -31.0188 -31.0188 7.2066 7.2066 9.3872 9.3872 9.5377 9.5377 10.1590 10.1590 10.3172 10.3172 10.3622 10.3622 11.4215 11.4215 11.5342 11.5342 12.0596 12.0596 12.1597 12.1597 12.2958 12.2958 12.8079 12.8079 13.1144 13.1144 13.5159 13.5159 13.9597 13.9597 14.5770 14.5770 16.2367 16.2367 k = 0.0417-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9562 -77.9562 -77.9045 -77.9045 -44.8319 -44.8319 -44.7041 -44.7041 -31.5287 -31.5287 -31.2064 -31.2064 -31.1673 -31.1673 -31.0193 -31.0193 7.2161 7.2161 9.3857 9.3857 9.5443 9.5443 10.1579 10.1579 10.3183 10.3183 10.3704 10.3704 11.3907 11.3907 11.5508 11.5508 12.0541 12.0541 12.1467 12.1467 12.3318 12.3318 12.7962 12.7962 13.1330 13.1330 13.5038 13.5038 13.9766 13.9766 14.5817 14.5817 16.2408 16.2408 k = 0.0556-0.0000 0.4144 ( 3786 PWs) bands (ev): -77.9560 -77.9560 -77.9046 -77.9046 -44.8315 -44.8315 -44.7045 -44.7045 -31.5276 -31.5276 -31.2074 -31.2074 -31.1667 -31.1667 -31.0201 -31.0201 7.2294 7.2294 9.3836 9.3836 9.5535 9.5535 10.1561 10.1561 10.3202 10.3202 10.3815 10.3815 11.3573 11.3573 11.5649 11.5649 12.0470 12.0470 12.1369 12.1369 12.3716 12.3716 12.7821 12.7821 13.1574 13.1574 13.4889 13.4889 13.9986 13.9986 14.5881 14.5881 16.2465 16.2465 k = 0.0694-0.0000 0.4144 ( 3786 PWs) bands (ev): -77.9557 -77.9557 -77.9049 -77.9049 -44.8309 -44.8309 -44.7050 -44.7050 -31.5261 -31.5261 -31.2087 -31.2087 -31.1660 -31.1660 -31.0210 -31.0210 7.2465 7.2465 9.3809 9.3809 9.5654 9.5654 10.1533 10.1533 10.3234 10.3234 10.3951 10.3951 11.3222 11.3222 11.5760 11.5760 12.0391 12.0391 12.1299 12.1299 12.4134 12.4134 12.7671 12.7671 13.1869 13.1869 13.4727 13.4727 14.0248 14.0248 14.5959 14.5959 16.2539 16.2539 k = 0.0833-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9555 -77.9555 -77.9051 -77.9051 -44.8302 -44.8302 -44.7057 -44.7057 -31.5243 -31.5243 -31.2103 -31.2103 -31.1652 -31.1652 -31.0221 -31.0221 7.2673 7.2673 9.3779 9.3779 9.5798 9.5798 10.1493 10.1493 10.3280 10.3280 10.4109 10.4109 11.2863 11.2863 11.5838 11.5838 12.0313 12.0313 12.1252 12.1252 12.4553 12.4553 12.7528 12.7528 13.2206 13.2206 13.4567 13.4567 14.0545 14.0545 14.6048 14.6048 16.2630 16.2630 k = 0.0972-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9552 -77.9552 -77.9054 -77.9054 -44.8295 -44.8295 -44.7065 -44.7065 -31.5221 -31.5221 -31.2121 -31.2121 -31.1643 -31.1643 -31.0234 -31.0234 7.2919 7.2919 9.3745 9.3745 9.5966 9.5966 10.1439 10.1439 10.3342 10.3342 10.4286 10.4286 11.2502 11.2502 11.5881 11.5881 12.0241 12.0241 12.1219 12.1219 12.4955 12.4955 12.7411 12.7411 13.2578 13.2578 13.4424 13.4424 14.0869 14.0869 14.6148 14.6148 16.2738 16.2738 k = 0.1111-0.0000 0.4144 ( 3780 PWs) bands (ev): -77.9548 -77.9548 -77.9058 -77.9058 -44.8285 -44.8285 -44.7074 -44.7074 -31.5196 -31.5196 -31.2142 -31.2142 -31.1633 -31.1633 -31.0249 -31.0249 7.3201 7.3201 9.3712 9.3712 9.6155 9.6155 10.1372 10.1372 10.3421 10.3421 10.4478 10.4478 11.2146 11.2146 11.5884 11.5884 12.0178 12.0178 12.1198 12.1198 12.5313 12.5313 12.7343 12.7343 13.2975 13.2975 13.4319 13.4319 14.1218 14.1218 14.6257 14.6257 16.2863 16.2863 k = 0.1250-0.0000 0.4144 ( 3778 PWs) bands (ev): -77.9544 -77.9544 -77.9062 -77.9062 -44.8275 -44.8275 -44.7084 -44.7084 -31.5169 -31.5169 -31.2165 -31.2165 -31.1622 -31.1622 -31.0266 -31.0266 7.3520 7.3520 9.3679 9.3679 9.6361 9.6361 10.1292 10.1292 10.3516 10.3516 10.4680 10.4680 11.1801 11.1801 11.5844 11.5844 12.0123 12.0123 12.1186 12.1186 12.5596 12.5596 12.7352 12.7352 13.3371 13.3371 13.4284 13.4284 14.1589 14.1589 14.6371 14.6371 16.3006 16.3006 k = 0.1389-0.0000 0.4144 ( 3778 PWs) bands (ev): -77.9539 -77.9539 -77.9067 -77.9067 -44.8264 -44.8264 -44.7095 -44.7095 -31.5138 -31.5138 -31.2191 -31.2191 -31.1609 -31.1609 -31.0284 -31.0284 7.3875 7.3875 9.3651 9.3651 9.6581 9.6581 10.1200 10.1200 10.3624 10.3624 10.4890 10.4890 11.1470 11.1470 11.5760 11.5760 12.0072 12.0072 12.1185 12.1185 12.5783 12.5783 12.7457 12.7457 13.3693 13.3693 13.4398 13.4398 14.1980 14.1980 14.6490 14.6490 16.3166 16.3166 k = 0.1528-0.0000 0.4144 ( 3780 PWs) bands (ev): -77.9534 -77.9534 -77.9072 -77.9072 -44.8251 -44.8251 -44.7108 -44.7108 -31.5105 -31.5105 -31.2219 -31.2219 -31.1596 -31.1596 -31.0304 -31.0304 7.4266 7.4266 9.3628 9.3628 9.6810 9.6810 10.1099 10.1099 10.3744 10.3744 10.5103 10.5103 11.1158 11.1158 11.5629 11.5629 12.0019 12.0019 12.1200 12.1200 12.5883 12.5883 12.7648 12.7648 13.3870 13.3870 13.4737 13.4737 14.2392 14.2392 14.6617 14.6617 16.3343 16.3343 k = 0.1667-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9529 -77.9529 -77.9077 -77.9077 -44.8238 -44.8238 -44.7122 -44.7122 -31.5068 -31.5068 -31.2249 -31.2249 -31.1583 -31.1583 -31.0326 -31.0326 7.4691 7.4691 9.3613 9.3613 9.7041 9.7041 10.0991 10.0991 10.3872 10.3872 10.5317 10.5317 11.0867 11.0867 11.5453 11.5453 11.9960 11.9960 12.1233 12.1233 12.5931 12.5931 12.7888 12.7888 13.3988 13.3988 13.5216 13.5216 14.2825 14.2825 14.6752 14.6752 16.3536 16.3536 k = 0.1806-0.0000 0.4144 ( 3794 PWs) bands (ev): -77.9523 -77.9523 -77.9083 -77.9083 -44.8224 -44.8224 -44.7137 -44.7137 -31.5029 -31.5029 -31.2282 -31.2282 -31.1568 -31.1568 -31.0349 -31.0349 7.5151 7.5151 9.3607 9.3607 9.7269 9.7269 10.0877 10.0877 10.4006 10.4006 10.5529 10.5529 11.0599 11.0599 11.5236 11.5236 11.9888 11.9888 12.1287 12.1287 12.5964 12.5964 12.8145 12.8145 13.4123 13.4123 13.5752 13.5752 14.3280 14.3280 14.6898 14.6898 16.3744 16.3744 k = 0.1944-0.0000 0.4144 ( 3798 PWs) bands (ev): -77.9517 -77.9517 -77.9090 -77.9090 -44.8209 -44.8209 -44.7152 -44.7152 -31.4987 -31.4987 -31.2317 -31.2317 -31.1553 -31.1553 -31.0373 -31.0373 7.5644 7.5644 9.3612 9.3612 9.7488 9.7488 10.0761 10.0761 10.4142 10.4142 10.5736 10.5736 11.0354 11.0354 11.4983 11.4983 11.9800 11.9800 12.1362 12.1362 12.6003 12.6003 12.8402 12.8402 13.4297 13.4297 13.6315 13.6315 14.3758 14.3758 14.7061 14.7061 16.3967 16.3967 k = 0.2083-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9510 -77.9510 -77.9096 -77.9096 -44.8192 -44.8192 -44.7169 -44.7169 -31.4942 -31.4942 -31.2354 -31.2354 -31.1536 -31.1536 -31.0399 -31.0399 7.6170 7.6170 9.3629 9.3629 9.7690 9.7690 10.0645 10.0645 10.4280 10.4280 10.5935 10.5935 11.0129 11.0129 11.4700 11.4700 11.9700 11.9700 12.1455 12.1455 12.6062 12.6062 12.8653 12.8653 13.4511 13.4511 13.6888 13.6888 14.4260 14.4260 14.7247 14.7247 16.4202 16.4202 k = 0.2222-0.0000 0.4144 ( 3790 PWs) bands (ev): -77.9503 -77.9503 -77.9104 -77.9104 -44.8174 -44.8174 -44.7186 -44.7186 -31.4895 -31.4895 -31.2394 -31.2394 -31.1519 -31.1519 -31.0425 -31.0425 7.6727 7.6727 9.3658 9.3658 9.7869 9.7869 10.0529 10.0529 10.4417 10.4417 10.6123 10.6123 10.9923 10.9923 11.4395 11.4395 11.9589 11.9589 12.1560 12.1560 12.6151 12.6151 12.8902 12.8902 13.4758 13.4758 13.7458 13.7458 14.4787 14.4787 14.7465 14.7465 16.4446 16.4446 k = 0.2361-0.0000 0.4144 ( 3788 PWs) bands (ev): -77.9495 -77.9495 -77.9111 -77.9111 -44.8156 -44.8156 -44.7205 -44.7205 -31.4845 -31.4845 -31.2436 -31.2436 -31.1501 -31.1501 -31.0453 -31.0453 7.7316 7.7316 9.3700 9.3700 9.8021 9.8021 10.0415 10.0415 10.4551 10.4551 10.6294 10.6294 10.9733 10.9733 11.4077 11.4077 11.9476 11.9476 12.1671 12.1671 12.6274 12.6274 12.9154 12.9154 13.5028 13.5028 13.8010 13.8010 14.5338 14.5338 14.7726 14.7726 16.4696 16.4696 k = 0.2500-0.0000 0.4144 ( 3792 PWs) bands (ev): -77.9488 -77.9488 -77.9119 -77.9119 -44.8137 -44.8137 -44.7224 -44.7224 -31.4792 -31.4792 -31.2480 -31.2480 -31.1483 -31.1483 -31.0481 -31.0481 7.7933 7.7933 9.3755 9.3755 9.8142 9.8142 10.0304 10.0304 10.4680 10.4680 10.6439 10.6439 10.9560 10.9560 11.3752 11.3752 11.9368 11.9368 12.1780 12.1780 12.6437 12.6437 12.9414 12.9414 13.5314 13.5314 13.8532 13.8532 14.5914 14.5914 14.8040 14.8040 16.4946 16.4946 k = 0.2639-0.0000 0.4144 ( 3788 PWs) bands (ev): -77.9479 -77.9479 -77.9127 -77.9127 -44.8116 -44.8116 -44.7245 -44.7245 -31.4738 -31.4738 -31.2527 -31.2527 -31.1464 -31.1464 -31.0510 -31.0510 7.8580 7.8580 9.3822 9.3822 9.8229 9.8229 10.0196 10.0196 10.4799 10.4799 10.6543 10.6543 10.9411 10.9411 11.3430 11.3430 11.9273 11.9273 12.1883 12.1883 12.6642 12.6642 12.9689 12.9689 13.5605 13.5605 13.9007 13.9007 14.6517 14.6517 14.8418 14.8418 16.5185 16.5185 k = 0.2778-0.0000 0.4144 ( 3792 PWs) bands (ev): -77.9471 -77.9471 -77.9136 -77.9136 -44.8096 -44.8096 -44.7266 -44.7266 -31.4681 -31.4681 -31.2575 -31.2575 -31.1444 -31.1444 -31.0540 -31.0540 7.9253 7.9253 9.3901 9.3901 9.8283 9.8283 10.0091 10.0091 10.4902 10.4902 10.6589 10.6589 10.9296 10.9296 11.3117 11.3117 11.9198 11.9198 12.1974 12.1974 12.6890 12.6890 12.9982 12.9982 13.5895 13.5895 13.9425 13.9425 14.7147 14.7147 14.8866 14.8866 16.5394 16.5394 k = 0.2917-0.0000 0.4144 ( 3798 PWs) bands (ev): -77.9462 -77.9462 -77.9145 -77.9145 -44.8074 -44.8074 -44.7288 -44.7288 -31.4622 -31.4622 -31.2626 -31.2626 -31.1423 -31.1423 -31.0571 -31.0571 7.9951 7.9951 9.3988 9.3988 9.8307 9.8307 9.9991 9.9991 10.4979 10.4979 10.6559 10.6559 10.9230 10.9230 11.2822 11.2822 11.9151 11.9151 12.2049 12.2049 12.7183 12.7183 13.0296 13.0296 13.6177 13.6177 13.9774 13.9774 14.7806 14.7806 14.9386 14.9386 16.5517 16.5517 k = 0.3056-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9453 -77.9453 -77.9154 -77.9154 -44.8051 -44.8051 -44.7311 -44.7311 -31.4562 -31.4562 -31.2679 -31.2679 -31.1402 -31.1402 -31.0601 -31.0601 8.0673 8.0673 9.4083 9.4083 9.8304 9.8304 9.9897 9.9897 10.5017 10.5017 10.6440 10.6440 10.9224 10.9224 11.2552 11.2552 11.9136 11.9136 12.2107 12.2107 12.7519 12.7519 13.0634 13.0634 13.6445 13.6445 14.0052 14.0052 14.8495 14.8495 14.9976 14.9976 16.5282 16.5282 k = 0.3194-0.0000 0.4144 ( 3798 PWs) bands (ev): -77.9443 -77.9443 -77.9164 -77.9164 -44.8028 -44.8028 -44.7334 -44.7334 -31.4499 -31.4499 -31.2734 -31.2734 -31.1380 -31.1380 -31.0633 -31.0633 8.1417 8.1417 9.4181 9.4181 9.8280 9.8280 9.9811 9.9811 10.5002 10.5002 10.6235 10.6235 10.9277 10.9277 11.2316 11.2316 11.9154 11.9154 12.2147 12.2147 12.7896 12.7896 13.0997 13.0997 13.6695 13.6695 14.0259 14.0259 14.9211 14.9211 15.0631 15.0631 16.4415 16.4415 k = 0.3333-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9434 -77.9434 -77.9173 -77.9173 -44.8004 -44.8004 -44.7359 -44.7359 -31.4435 -31.4435 -31.2791 -31.2791 -31.1357 -31.1357 -31.0664 -31.0664 8.2180 8.2180 9.4275 9.4275 9.8241 9.8241 9.9735 9.9735 10.4921 10.4921 10.5955 10.5955 10.9381 10.9381 11.2120 11.2120 11.9206 11.9206 12.2168 12.2168 12.8312 12.8312 13.1382 13.1382 13.6919 13.6919 14.0399 14.0399 14.9944 14.9944 15.1343 15.1343 16.3396 16.3396 k = 0.3472-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9424 -77.9424 -77.9183 -77.9183 -44.7979 -44.7979 -44.7384 -44.7384 -31.4369 -31.4369 -31.2849 -31.2849 -31.1334 -31.1334 -31.0696 -31.0696 8.2960 8.2960 9.4360 9.4360 9.8195 9.8195 9.9672 9.9672 10.4766 10.4766 10.5618 10.5618 10.9522 10.9522 11.1969 11.1969 11.9290 11.9290 12.2170 12.2170 12.8763 12.8763 13.1791 13.1791 13.7111 13.7111 14.0482 14.0482 15.0681 15.0681 15.2104 15.2104 16.2406 16.2406 k = 0.3611-0.0000 0.4144 ( 3802 PWs) bands (ev): -77.9414 -77.9414 -77.9193 -77.9193 -44.7954 -44.7954 -44.7409 -44.7409 -31.4302 -31.4302 -31.2910 -31.2910 -31.1310 -31.1310 -31.0728 -31.0728 8.3754 8.3754 9.4423 9.4423 9.8153 9.8153 9.9623 9.9623 10.4537 10.4537 10.5239 10.5239 10.9691 10.9691 11.1862 11.1862 11.9403 11.9403 12.2154 12.2154 12.9244 12.9244 13.2220 13.2220 13.7264 13.7264 14.0515 14.0515 15.1404 15.1404 15.2906 15.2906 16.1495 16.1495 k = 0.3750-0.0000 0.4144 ( 3804 PWs) bands (ev): -77.9403 -77.9403 -77.9204 -77.9204 -44.7929 -44.7929 -44.7435 -44.7435 -31.4234 -31.4234 -31.2972 -31.2972 -31.1286 -31.1286 -31.0760 -31.0760 8.4560 8.4560 9.4451 9.4451 9.8125 9.8125 9.9591 9.9591 10.4242 10.4242 10.4829 10.4829 10.9877 10.9877 11.1792 11.1792 11.9539 11.9539 12.2121 12.2121 12.9751 12.9751 13.2667 13.2667 13.7372 13.7372 14.0508 14.0508 15.2094 15.2094 15.3731 15.3731 16.0697 16.0697 k = 0.3889-0.0000 0.4144 ( 3806 PWs) bands (ev): -77.9393 -77.9393 -77.9215 -77.9215 -44.7903 -44.7903 -44.7461 -44.7461 -31.4165 -31.4165 -31.3036 -31.3036 -31.1260 -31.1260 -31.0792 -31.0792 8.5373 8.5373 9.4430 9.4430 9.8125 9.8125 9.9576 9.9576 10.3896 10.3896 10.4396 10.4396 11.0073 11.0073 11.1752 11.1752 11.9696 11.9696 12.2071 12.2071 13.0278 13.0278 13.3125 13.3125 13.7430 13.7430 14.0463 14.0463 15.2731 15.2731 15.4556 15.4556 16.0047 16.0047 k = 0.4028-0.0000 0.4144 ( 3804 PWs) bands (ev): -77.9382 -77.9382 -77.9225 -77.9225 -44.7876 -44.7876 -44.7488 -44.7488 -31.4094 -31.4094 -31.3101 -31.3101 -31.1235 -31.1235 -31.0823 -31.0823 8.6190 8.6190 9.4345 9.4345 9.8164 9.8164 9.9579 9.9579 10.3518 10.3518 10.3951 10.3951 11.0274 11.0274 11.1731 11.1731 11.9867 11.9867 12.2006 12.2006 13.0819 13.0819 13.3585 13.3585 13.7440 13.7440 14.0383 14.0383 15.3295 15.3295 15.5345 15.5345 15.9578 15.9578 k = 0.4167-0.0000 0.4144 ( 3808 PWs) bands (ev): -77.9371 -77.9371 -77.9236 -77.9236 -44.7849 -44.7849 -44.7515 -44.7515 -31.4023 -31.4023 -31.3168 -31.3168 -31.1208 -31.1208 -31.0855 -31.0855 8.7006 8.7006 9.4183 9.4183 9.8251 9.8251 9.9598 9.9598 10.3124 10.3124 10.3505 10.3505 11.0473 11.0473 11.1717 11.1717 12.0048 12.0048 12.1924 12.1924 13.1366 13.1366 13.4031 13.4031 13.7413 13.7413 14.0261 14.0261 15.3770 15.3770 15.6044 15.6044 15.9310 15.9310 k = 0.4306-0.0000 0.4144 ( 3802 PWs) bands (ev): -77.9360 -77.9360 -77.9247 -77.9247 -44.7821 -44.7821 -44.7542 -44.7542 -31.3951 -31.3951 -31.3236 -31.3236 -31.1181 -31.1181 -31.0886 -31.0886 8.7815 8.7815 9.3937 9.3937 9.8387 9.8387 9.9628 9.9628 10.2731 10.2731 10.3072 10.3072 11.0667 11.0667 11.1703 11.1703 12.0235 12.0235 12.1828 12.1828 13.1915 13.1915 13.4435 13.4435 13.7377 13.7377 14.0092 14.0092 15.4156 15.4156 15.6583 15.6583 15.9238 15.9238 k = 0.4444-0.0000 0.4144 ( 3802 PWs) bands (ev): -77.9349 -77.9349 -77.9258 -77.9258 -44.7794 -44.7794 -44.7570 -44.7570 -31.3879 -31.3879 -31.3305 -31.3305 -31.1154 -31.1154 -31.0918 -31.0918 8.8612 8.8612 9.3607 9.3607 9.8567 9.8567 9.9664 9.9664 10.2358 10.2358 10.2668 10.2668 11.0850 11.0850 11.1680 11.1680 12.0425 12.0425 12.1718 12.1718 13.2456 13.2456 13.4746 13.4746 13.7378 13.7378 13.9866 13.9866 15.4477 15.4477 15.6881 15.6881 15.9325 15.9325 k = 0.4583-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9338 -77.9338 -77.9270 -77.9270 -44.7766 -44.7766 -44.7598 -44.7598 -31.3807 -31.3807 -31.3375 -31.3375 -31.1126 -31.1126 -31.0948 -31.0948 8.9389 8.9389 9.3195 9.3195 9.8782 9.8782 9.9688 9.9688 10.2029 10.2029 10.2307 10.2307 11.1020 11.1020 11.1644 11.1644 12.0613 12.0613 12.1593 12.1593 13.2981 13.2981 13.4904 13.4904 13.7478 13.7478 13.9582 13.9582 15.4776 15.4776 15.6888 15.6888 15.9560 15.9560 k = 0.4722-0.0000 0.4144 ( 3798 PWs) bands (ev): -77.9326 -77.9326 -77.9281 -77.9281 -44.7738 -44.7738 -44.7626 -44.7626 -31.3734 -31.3734 -31.3446 -31.3446 -31.1097 -31.1097 -31.0979 -31.0979 9.0140 9.0140 9.2706 9.2706 9.9017 9.9017 9.9679 9.9679 10.1778 10.1778 10.2003 10.2003 11.1173 11.1173 11.1590 11.1590 12.0798 12.0798 12.1456 12.1456 13.3480 13.3480 13.4871 13.4871 13.7712 13.7712 13.9243 13.9243 15.5093 15.5093 15.6646 15.6646 15.9933 15.9933 k = 0.4861-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9315 -77.9315 -77.9292 -77.9292 -44.7710 -44.7710 -44.7654 -44.7654 -31.3662 -31.3662 -31.3518 -31.3518 -31.1068 -31.1068 -31.1009 -31.1009 9.0856 9.0856 9.2148 9.2148 9.9252 9.9252 9.9607 9.9607 10.1644 10.1644 10.1775 10.1775 11.1308 11.1308 11.1517 11.1517 12.0976 12.0976 12.1307 12.1307 13.3941 13.3941 13.4669 13.4669 13.8055 13.8055 13.8859 13.8859 15.5452 15.5452 15.6270 15.6270 16.0403 16.0404 k = 0.5000-0.0000 0.4144 ( 3800 PWs) bands (ev): -77.9304 -77.9304 -77.9304 -77.9304 -44.7682 -44.7682 -44.7682 -44.7682 -31.3589 -31.3589 -31.3589 -31.3589 -31.1039 -31.1039 -31.1039 -31.1039 9.1528 9.1528 9.1528 9.1528 9.9459 9.9459 9.9459 9.9459 10.1646 10.1646 10.1646 10.1646 11.1423 11.1423 11.1423 11.1423 12.1146 12.1146 12.1146 12.1146 13.4346 13.4346 13.4346 13.4346 13.8453 13.8453 13.8453 13.8453 15.5853 15.5853 15.5853 15.5853 16.0924 16.0924 Writing output data file ZrIr.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 169.69s CPU 172.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 169.69s CPU 172.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 331 calls) cegterg : 158.89s CPU 161.49s WALL ( 698 calls) Called by sum_band: Called by *egterg: h_psi : 71.51s CPU 73.20s WALL ( 12782 calls) s_psi : 3.12s CPU 3.35s WALL ( 12782 calls) g_psi : 0.20s CPU 0.23s WALL ( 11753 calls) cdiaghg : 75.36s CPU 76.25s WALL ( 12084 calls) cegterg:over : 6.12s CPU 6.12s WALL ( 11753 calls) cegterg:upda : 5.28s CPU 5.31s WALL ( 11753 calls) cegterg:last : 2.88s CPU 2.99s WALL ( 1586 calls) cdiaghg:chol : 4.19s CPU 4.01s WALL ( 12084 calls) cdiaghg:inve : 2.54s CPU 2.68s WALL ( 12084 calls) cdiaghg:para : 4.24s CPU 4.31s WALL ( 24168 calls) Called by h_psi: h_psi:vloc : 62.12s CPU 63.62s WALL ( 12782 calls) h_psi:vnl : 9.15s CPU 9.33s WALL ( 12782 calls) add_vuspsi : 4.46s CPU 4.64s WALL ( 12782 calls) General routines calbec : 4.67s CPU 4.65s WALL ( 12782 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.38s CPU 59.72s WALL ( 944880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.20s WALL ( 662 calls) Parallel routines fft_scatter : 25.16s CPU 25.59s WALL ( 944903 calls) PWSCF : 3m 4.17s CPU 3m20.61s WALL This run was terminated on: 20: 6:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=