Program PWSCF v.5.1.1 starts on 13Jun2016 at 9:41:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrCdTe2.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 22 6 4800 799 126 Max 75 23 7 4811 835 135 Sum 3577 1101 325 230649 39249 6265 bravais-lattice index = 14 lattice parameter (alat) = 8.4093 a.u. unit-cell volume = 845.9024 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.409281 celldm(2)= 1.000000 celldm(3)= 1.422472 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.422472 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.703002 ) PseudoPot. # 1 for Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1183 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 PseudoPot. # 2 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 PseudoPot. # 3 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0030488 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0030488 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0030488 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030488 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0030488 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0030488 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0030488 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0030488 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0030488 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030488 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0030488 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0030488 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0030488 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0030488 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0030488 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030488 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0030488 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0030488 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0030488 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0030488 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030488 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0030488 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0030488 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0030488 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0030488 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0030488 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030488 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0030488 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0030488 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0030488 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0030488 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0030488 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0030488 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0030488 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0030488 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0030488 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0030488 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0030488 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0030488 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0030488 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030488 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0030488 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0030488 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0030488 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0030488 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030488 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0030488 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0030488 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0030488 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0030488 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030488 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0030488 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0030488 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0030488 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0030488 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030488 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0030488 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0030488 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0030488 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0030488 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030488 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0030488 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0030488 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0030488 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0030488 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030488 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0030488 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0030488 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0030488 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0030488 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030488 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0030488 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0030488 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0030488 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0030488 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030488 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0030488 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0030488 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0030488 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.0140600), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.0281201), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.0421801), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.0562401), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.0703002), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.0843602), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.0984202), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.1124803), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.1265403), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.1406003), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.1546603), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.1687204), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.1827804), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.1968404), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.2109005), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.2249605), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.2390205), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.2530806), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.2671406), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.2812006), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.2952607), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.3093207), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.3233807), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.3374408), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.3515008), wk = 0.0030488 k( 152) = ( 0.0000000 0.0000000 0.3515008), wk = 0.0030488 k( 153) = ( 0.0000000 0.0138889 0.3515008), wk = 0.0030488 k( 154) = ( 0.0000000 0.0277778 0.3515008), wk = 0.0030488 k( 155) = ( 0.0000000 0.0416667 0.3515008), wk = 0.0030488 k( 156) = ( 0.0000000 0.0555556 0.3515008), wk = 0.0030488 k( 157) = ( 0.0000000 0.0694444 0.3515008), wk = 0.0030488 k( 158) = ( 0.0000000 0.0833333 0.3515008), wk = 0.0030488 k( 159) = ( 0.0000000 0.0972222 0.3515008), wk = 0.0030488 k( 160) = ( 0.0000000 0.1111111 0.3515008), wk = 0.0030488 k( 161) = ( 0.0000000 0.1250000 0.3515008), wk = 0.0030488 k( 162) = ( 0.0000000 0.1388889 0.3515008), wk = 0.0030488 k( 163) = ( 0.0000000 0.1527778 0.3515008), wk = 0.0030488 k( 164) = ( 0.0000000 0.1666667 0.3515008), wk = 0.0030488 k( 165) = ( 0.0000000 0.1805556 0.3515008), wk = 0.0030488 k( 166) = ( 0.0000000 0.1944444 0.3515008), wk = 0.0030488 k( 167) = ( 0.0000000 0.2083333 0.3515008), wk = 0.0030488 k( 168) = ( 0.0000000 0.2222222 0.3515008), wk = 0.0030488 k( 169) = ( 0.0000000 0.2361111 0.3515008), wk = 0.0030488 k( 170) = ( 0.0000000 0.2500000 0.3515008), wk = 0.0030488 k( 171) = ( 0.0000000 0.2638889 0.3515008), wk = 0.0030488 k( 172) = ( 0.0000000 0.2777778 0.3515008), wk = 0.0030488 k( 173) = ( 0.0000000 0.2916667 0.3515008), wk = 0.0030488 k( 174) = ( 0.0000000 0.3055556 0.3515008), wk = 0.0030488 k( 175) = ( 0.0000000 0.3194444 0.3515008), wk = 0.0030488 k( 176) = ( 0.0000000 0.3333333 0.3515008), wk = 0.0030488 k( 177) = ( 0.0000000 0.3472222 0.3515008), wk = 0.0030488 k( 178) = ( 0.0000000 0.3611111 0.3515008), wk = 0.0030488 k( 179) = ( 0.0000000 0.3750000 0.3515008), wk = 0.0030488 k( 180) = ( 0.0000000 0.3888889 0.3515008), wk = 0.0030488 k( 181) = ( 0.0000000 0.4027778 0.3515008), wk = 0.0030488 k( 182) = ( 0.0000000 0.4166667 0.3515008), wk = 0.0030488 k( 183) = ( 0.0000000 0.4305556 0.3515008), wk = 0.0030488 k( 184) = ( 0.0000000 0.4444444 0.3515008), wk = 0.0030488 k( 185) = ( 0.0000000 0.4583333 0.3515008), wk = 0.0030488 k( 186) = ( 0.0000000 0.4722222 0.3515008), wk = 0.0030488 k( 187) = ( 0.0000000 0.4861111 0.3515008), wk = 0.0030488 k( 188) = ( 0.0000000 0.5000000 0.3515008), wk = 0.0030488 k( 189) = ( 0.0000000 0.5000000 0.3515008), wk = 0.0030488 k( 190) = ( 0.0138889 0.5000000 0.3515008), wk = 0.0030488 k( 191) = ( 0.0277778 0.5000000 0.3515008), wk = 0.0030488 k( 192) = ( 0.0416667 0.5000000 0.3515008), wk = 0.0030488 k( 193) = ( 0.0555556 0.5000000 0.3515008), wk = 0.0030488 k( 194) = ( 0.0694444 0.5000000 0.3515008), wk = 0.0030488 k( 195) = ( 0.0833333 0.5000000 0.3515008), wk = 0.0030488 k( 196) = ( 0.0972222 0.5000000 0.3515008), wk = 0.0030488 k( 197) = ( 0.1111111 0.5000000 0.3515008), wk = 0.0030488 k( 198) = ( 0.1250000 0.5000000 0.3515008), wk = 0.0030488 k( 199) = ( 0.1388889 0.5000000 0.3515008), wk = 0.0030488 k( 200) = ( 0.1527778 0.5000000 0.3515008), wk = 0.0030488 k( 201) = ( 0.1666667 0.5000000 0.3515008), wk = 0.0030488 k( 202) = ( 0.1805556 0.5000000 0.3515008), wk = 0.0030488 k( 203) = ( 0.1944444 0.5000000 0.3515008), wk = 0.0030488 k( 204) = ( 0.2083333 0.5000000 0.3515008), wk = 0.0030488 k( 205) = ( 0.2222222 0.5000000 0.3515008), wk = 0.0030488 k( 206) = ( 0.2361111 0.5000000 0.3515008), wk = 0.0030488 k( 207) = ( 0.2500000 0.5000000 0.3515008), wk = 0.0030488 k( 208) = ( 0.2638889 0.5000000 0.3515008), wk = 0.0030488 k( 209) = ( 0.2777778 0.5000000 0.3515008), wk = 0.0030488 k( 210) = ( 0.2916667 0.5000000 0.3515008), wk = 0.0030488 k( 211) = ( 0.3055556 0.5000000 0.3515008), wk = 0.0030488 k( 212) = ( 0.3194444 0.5000000 0.3515008), wk = 0.0030488 k( 213) = ( 0.3333333 0.5000000 0.3515008), wk = 0.0030488 k( 214) = ( 0.3472222 0.5000000 0.3515008), wk = 0.0030488 k( 215) = ( 0.3611111 0.5000000 0.3515008), wk = 0.0030488 k( 216) = ( 0.3750000 0.5000000 0.3515008), wk = 0.0030488 k( 217) = ( 0.3888889 0.5000000 0.3515008), wk = 0.0030488 k( 218) = ( 0.4027778 0.5000000 0.3515008), wk = 0.0030488 k( 219) = ( 0.4166667 0.5000000 0.3515008), wk = 0.0030488 k( 220) = ( 0.4305556 0.5000000 0.3515008), wk = 0.0030488 k( 221) = ( 0.4444444 0.5000000 0.3515008), wk = 0.0030488 k( 222) = ( 0.4583333 0.5000000 0.3515008), wk = 0.0030488 k( 223) = ( 0.4722222 0.5000000 0.3515008), wk = 0.0030488 k( 224) = ( 0.4861111 0.5000000 0.3515008), wk = 0.0030488 k( 225) = ( 0.5000000 0.5000000 0.3515008), wk = 0.0030488 k( 226) = ( 0.5000000 0.5000000 0.3515008), wk = 0.0030488 k( 227) = ( 0.4900000 0.4900000 0.3515008), wk = 0.0030488 k( 228) = ( 0.4800000 0.4800000 0.3515008), wk = 0.0030488 k( 229) = ( 0.4700000 0.4700000 0.3515008), wk = 0.0030488 k( 230) = ( 0.4600000 0.4600000 0.3515008), wk = 0.0030488 k( 231) = ( 0.4500000 0.4500000 0.3515008), wk = 0.0030488 k( 232) = ( 0.4400000 0.4400000 0.3515008), wk = 0.0030488 k( 233) = ( 0.4300000 0.4300000 0.3515008), wk = 0.0030488 k( 234) = ( 0.4200000 0.4200000 0.3515008), wk = 0.0030488 k( 235) = ( 0.4100000 0.4100000 0.3515008), wk = 0.0030488 k( 236) = ( 0.4000000 0.4000000 0.3515008), wk = 0.0030488 k( 237) = ( 0.3900000 0.3900000 0.3515008), wk = 0.0030488 k( 238) = ( 0.3800000 0.3800000 0.3515008), wk = 0.0030488 k( 239) = ( 0.3700000 0.3700000 0.3515008), wk = 0.0030488 k( 240) = ( 0.3600000 0.3600000 0.3515008), wk = 0.0030488 k( 241) = ( 0.3500000 0.3500000 0.3515008), wk = 0.0030488 k( 242) = ( 0.3400000 0.3400000 0.3515008), wk = 0.0030488 k( 243) = ( 0.3300000 0.3300000 0.3515008), wk = 0.0030488 k( 244) = ( 0.3200000 0.3200000 0.3515008), wk = 0.0030488 k( 245) = ( 0.3100000 0.3100000 0.3515008), wk = 0.0030488 k( 246) = ( 0.3000000 0.3000000 0.3515008), wk = 0.0030488 k( 247) = ( 0.2900000 0.2900000 0.3515008), wk = 0.0030488 k( 248) = ( 0.2800000 0.2800000 0.3515008), wk = 0.0030488 k( 249) = ( 0.2700000 0.2700000 0.3515008), wk = 0.0030488 k( 250) = ( 0.2600000 0.2600000 0.3515008), wk = 0.0030488 k( 251) = ( 0.2500000 0.2500000 0.3515008), wk = 0.0030488 k( 252) = ( 0.2400000 0.2400000 0.3515008), wk = 0.0030488 k( 253) = ( 0.2300000 0.2300000 0.3515008), wk = 0.0030488 k( 254) = ( 0.2200000 0.2200000 0.3515008), wk = 0.0030488 k( 255) = ( 0.2100000 0.2100000 0.3515008), wk = 0.0030488 k( 256) = ( 0.2000000 0.2000000 0.3515008), wk = 0.0030488 k( 257) = ( 0.1900000 0.1900000 0.3515008), wk = 0.0030488 k( 258) = ( 0.1800000 0.1800000 0.3515008), wk = 0.0030488 k( 259) = ( 0.1700000 0.1700000 0.3515008), wk = 0.0030488 k( 260) = ( 0.1600000 0.1600000 0.3515008), wk = 0.0030488 k( 261) = ( 0.1500000 0.1500000 0.3515008), wk = 0.0030488 k( 262) = ( 0.1400000 0.1400000 0.3515008), wk = 0.0030488 k( 263) = ( 0.1300000 0.1300000 0.3515008), wk = 0.0030488 k( 264) = ( 0.1200000 0.1200000 0.3515008), wk = 0.0030488 k( 265) = ( 0.1100000 0.1100000 0.3515008), wk = 0.0030488 k( 266) = ( 0.1000000 0.1000000 0.3515008), wk = 0.0030488 k( 267) = ( 0.0900000 0.0900000 0.3515008), wk = 0.0030488 k( 268) = ( 0.0800000 0.0800000 0.3515008), wk = 0.0030488 k( 269) = ( 0.0700000 0.0700000 0.3515008), wk = 0.0030488 k( 270) = ( 0.0600000 0.0600000 0.3515008), wk = 0.0030488 k( 271) = ( 0.0500000 0.0500000 0.3515008), wk = 0.0030488 k( 272) = ( 0.0400000 0.0400000 0.3515008), wk = 0.0030488 k( 273) = ( 0.0300000 0.0300000 0.3515008), wk = 0.0030488 k( 274) = ( 0.0200000 0.0200000 0.3515008), wk = 0.0030488 k( 275) = ( 0.0100000 0.0100000 0.3515008), wk = 0.0030488 k( 276) = ( 0.0000000 0.0000000 0.3515008), wk = 0.0030488 k( 277) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 278) = ( 0.0000000 0.5000000 0.0140600), wk = 0.0030488 k( 279) = ( 0.0000000 0.5000000 0.0281201), wk = 0.0030488 k( 280) = ( 0.0000000 0.5000000 0.0421801), wk = 0.0030488 k( 281) = ( 0.0000000 0.5000000 0.0562401), wk = 0.0030488 k( 282) = ( 0.0000000 0.5000000 0.0703002), wk = 0.0030488 k( 283) = ( 0.0000000 0.5000000 0.0843602), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.0984202), wk = 0.0030488 k( 285) = ( 0.0000000 0.5000000 0.1124803), wk = 0.0030488 k( 286) = ( 0.0000000 0.5000000 0.1265403), wk = 0.0030488 k( 287) = ( 0.0000000 0.5000000 0.1406003), wk = 0.0030488 k( 288) = ( 0.0000000 0.5000000 0.1546603), wk = 0.0030488 k( 289) = ( 0.0000000 0.5000000 0.1687204), wk = 0.0030488 k( 290) = ( 0.0000000 0.5000000 0.1827804), wk = 0.0030488 k( 291) = ( 0.0000000 0.5000000 0.1968404), wk = 0.0030488 k( 292) = ( 0.0000000 0.5000000 0.2109005), wk = 0.0030488 k( 293) = ( 0.0000000 0.5000000 0.2249605), wk = 0.0030488 k( 294) = ( 0.0000000 0.5000000 0.2390205), wk = 0.0030488 k( 295) = ( 0.0000000 0.5000000 0.2530806), wk = 0.0030488 k( 296) = ( 0.0000000 0.5000000 0.2671406), wk = 0.0030488 k( 297) = ( 0.0000000 0.5000000 0.2812006), wk = 0.0030488 k( 298) = ( 0.0000000 0.5000000 0.2952607), wk = 0.0030488 k( 299) = ( 0.0000000 0.5000000 0.3093207), wk = 0.0030488 k( 300) = ( 0.0000000 0.5000000 0.3233807), wk = 0.0030488 k( 301) = ( 0.0000000 0.5000000 0.3374408), wk = 0.0030488 k( 302) = ( 0.0000000 0.5000000 0.3515008), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.0140600), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.0281201), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.0421801), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.0562401), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.0703002), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.0843602), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.0984202), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.1124803), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.1265403), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.1406003), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.1546603), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.1687204), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.1827804), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.1968404), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.2109005), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.2249605), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.2390205), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.2530806), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.2671406), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.2812006), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.2952607), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.3093207), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.3233807), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.3374408), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.3515008), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0030488 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0030488 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0030488 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030488 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0030488 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0030488 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0030488 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0030488 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0030488 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030488 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0030488 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0030488 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0030488 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0030488 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0030488 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030488 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0030488 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0030488 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0030488 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0030488 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0030488 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0030488 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0030488 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0030488 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0030488 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0030488 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0030488 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030488 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0030488 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0030488 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0030488 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0030488 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0030488 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0030488 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0030488 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0030488 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0030488 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0030488 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0030488 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0030488 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0030488 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030488 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0030488 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0030488 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0030488 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0030488 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030488 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0030488 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0030488 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0030488 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0030488 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030488 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0030488 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0030488 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0030488 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0030488 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030488 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0030488 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0030488 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0030488 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0030488 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030488 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0030488 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0030488 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0030488 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0030488 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030488 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0030488 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0030488 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0030488 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0030488 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030488 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0030488 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0030488 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0030488 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0030488 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0030488 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0030488 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0030488 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0030488 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0030488 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 127) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030488 k( 128) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030488 k( 129) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030488 k( 130) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030488 k( 133) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030488 k( 134) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030488 k( 137) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030488 k( 138) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030488 k( 139) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030488 k( 140) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030488 k( 141) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030488 k( 142) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 153) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0030488 k( 154) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0030488 k( 155) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0030488 k( 156) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0030488 k( 157) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0030488 k( 158) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0030488 k( 159) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0030488 k( 160) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0030488 k( 161) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0030488 k( 162) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0030488 k( 163) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0030488 k( 164) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0030488 k( 165) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0030488 k( 166) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0030488 k( 167) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0030488 k( 168) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0030488 k( 169) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0030488 k( 171) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0030488 k( 172) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0030488 k( 173) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0030488 k( 174) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0030488 k( 175) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0030488 k( 176) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0030488 k( 177) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0030488 k( 178) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0030488 k( 179) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0030488 k( 180) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0030488 k( 181) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0030488 k( 182) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0030488 k( 183) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0030488 k( 184) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0030488 k( 185) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0030488 k( 186) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0030488 k( 187) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0030488 k( 188) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 189) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 190) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0030488 k( 191) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0030488 k( 192) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0030488 k( 195) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0030488 k( 196) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0030488 k( 197) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0030488 k( 198) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0030488 k( 199) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0030488 k( 200) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0030488 k( 201) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0030488 k( 202) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0030488 k( 203) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0030488 k( 204) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0030488 k( 205) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0030488 k( 206) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0030488 k( 207) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030488 k( 208) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0030488 k( 209) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0030488 k( 210) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0030488 k( 211) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0030488 k( 212) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0030488 k( 213) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0030488 k( 214) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0030488 k( 215) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0030488 k( 216) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0030488 k( 217) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0030488 k( 218) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0030488 k( 219) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0030488 k( 220) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0030488 k( 221) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0030488 k( 222) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0030488 k( 223) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0030488 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 227) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0030488 k( 228) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0030488 k( 229) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0030488 k( 230) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0030488 k( 231) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0030488 k( 232) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0030488 k( 233) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0030488 k( 234) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0030488 k( 235) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0030488 k( 236) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0030488 k( 237) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0030488 k( 238) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0030488 k( 239) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0030488 k( 240) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0030488 k( 241) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0030488 k( 242) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0030488 k( 243) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0030488 k( 244) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0030488 k( 245) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0030488 k( 246) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030488 k( 247) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0030488 k( 248) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0030488 k( 249) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0030488 k( 250) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0030488 k( 251) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030488 k( 252) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0030488 k( 253) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0030488 k( 254) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0030488 k( 255) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0030488 k( 256) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030488 k( 257) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0030488 k( 258) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0030488 k( 259) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0030488 k( 260) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0030488 k( 261) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0030488 k( 262) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0030488 k( 263) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0030488 k( 264) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0030488 k( 265) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0030488 k( 266) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030488 k( 267) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0030488 k( 268) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0030488 k( 269) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0030488 k( 270) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0030488 k( 271) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0030488 k( 272) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0030488 k( 273) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0030488 k( 274) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0030488 k( 275) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0030488 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 277) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 278) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0030488 k( 279) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0030488 k( 280) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0030488 k( 281) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0030488 k( 282) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0030488 k( 283) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0030488 k( 285) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0030488 k( 286) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0030488 k( 287) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0030488 k( 288) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0030488 k( 289) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0030488 k( 290) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0030488 k( 291) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0030488 k( 292) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0030488 k( 293) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0030488 k( 294) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0030488 k( 295) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0030488 k( 296) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0030488 k( 297) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0030488 k( 298) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0030488 k( 299) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0030488 k( 300) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0030488 k( 301) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0030488 k( 302) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 Dense grid: 230649 G-vectors FFT dimensions: ( 72, 72, 100) Smooth grid: 39249 G-vectors FFT dimensions: ( 40, 40, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 212, 46) NL pseudopotentials 0.16 Mb ( 106, 100) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 4802) G-vector shells 0.02 Mb ( 2302) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 212, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.14 Mb ( 100, 2, 46) The potential is recalculated from file : ./CrCdTe2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.0 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.1 secs Computing kpt #: 5 total cpu time spent up to now is 48.9 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 52.2 secs Computing kpt #: 8 total cpu time spent up to now is 54.0 secs Computing kpt #: 9 total cpu time spent up to now is 55.6 secs Computing kpt #: 10 total cpu time spent up to now is 57.2 secs Computing kpt #: 11 total cpu time spent up to now is 58.9 secs Computing kpt #: 12 total cpu time spent up to now is 60.5 secs Computing kpt #: 13 total cpu time spent up to now is 62.2 secs Computing kpt #: 14 total cpu time spent up to now is 63.8 secs Computing kpt #: 15 total cpu time spent up to now is 65.6 secs Computing kpt #: 16 total cpu time spent up to now is 67.3 secs Computing kpt #: 17 total cpu time spent up to now is 69.0 secs Computing kpt #: 18 total cpu time spent up to now is 70.8 secs Computing kpt #: 19 total cpu time spent up to now is 72.6 secs Computing kpt #: 20 total cpu time spent up to now is 74.3 secs Computing kpt #: 21 total cpu time spent up to now is 76.0 secs Computing kpt #: 22 total cpu time spent up to now is 77.7 secs Computing kpt #: 23 total cpu time spent up to now is 79.3 secs Computing kpt #: 24 total cpu time spent up to now is 81.0 secs Computing kpt #: 25 total cpu time spent up to now is 82.7 secs Computing kpt #: 26 total cpu time spent up to now is 84.4 secs Computing kpt #: 27 total cpu time spent up to now is 86.2 secs Computing kpt #: 28 total cpu time spent up to now is 88.0 secs Computing kpt #: 29 total cpu time spent up to now is 89.7 secs Computing kpt #: 30 total cpu time spent up to now is 91.3 secs Computing kpt #: 31 total cpu time spent up to now is 93.0 secs Computing kpt #: 32 total cpu time spent up to now is 94.7 secs Computing kpt #: 33 total cpu time spent up to now is 96.4 secs Computing kpt #: 34 total cpu time spent up to now is 98.1 secs Computing kpt #: 35 total cpu time spent up to now is 99.8 secs Computing kpt #: 36 total cpu time spent up to now is 101.4 secs Computing kpt #: 37 total cpu time spent up to now is 103.1 secs Computing kpt #: 38 total cpu time spent up to now is 104.7 secs Computing kpt #: 39 total cpu time spent up to now is 106.3 secs Computing kpt #: 40 total cpu time spent up to now is 107.9 secs Computing kpt #: 41 total cpu time spent up to now is 109.6 secs Computing kpt #: 42 total cpu time spent up to now is 111.2 secs Computing kpt #: 43 total cpu time spent up to now is 112.8 secs Computing kpt #: 44 total cpu time spent up to now is 114.4 secs Computing kpt #: 45 total cpu time spent up to now is 116.1 secs Computing kpt #: 46 total cpu time spent up to now is 117.8 secs Computing kpt #: 47 total cpu time spent up to now is 119.5 secs Computing kpt #: 48 total cpu time spent up to now is 121.3 secs Computing kpt #: 49 total cpu time spent up to now is 123.2 secs Computing kpt #: 50 total cpu time spent up to now is 125.3 secs Computing kpt #: 51 total cpu time spent up to now is 127.8 secs Computing kpt #: 52 total cpu time spent up to now is 131.4 secs Computing kpt #: 53 total cpu time spent up to now is 133.9 secs Computing kpt #: 54 total cpu time spent up to now is 136.5 secs Computing kpt #: 55 total cpu time spent up to now is 146.5 secs Computing kpt #: 56 total cpu time spent up to now is 156.6 secs Computing kpt #: 57 total cpu time spent up to now is 158.6 secs Computing kpt #: 58 total cpu time spent up to now is 160.8 secs Computing kpt #: 59 total cpu time spent up to now is 162.8 secs Computing kpt #: 60 total cpu time spent up to now is 164.9 secs Computing kpt #: 61 total cpu time spent up to now is 166.7 secs Computing kpt #: 62 total cpu time spent up to now is 169.0 secs Computing kpt #: 63 total cpu time spent up to now is 172.0 secs Computing kpt #: 64 total cpu time spent up to now is 175.2 secs Computing kpt #: 65 total cpu time spent up to now is 177.2 secs Computing kpt #: 66 total cpu time spent up to now is 179.2 secs Computing kpt #: 67 total cpu time spent up to now is 181.2 secs Computing kpt #: 68 total cpu time spent up to now is 183.1 secs Computing kpt #: 69 total cpu time spent up to now is 185.2 secs Computing kpt #: 70 total cpu time spent up to now is 187.2 secs Computing kpt #: 71 total cpu time spent up to now is 189.1 secs Computing kpt #: 72 total cpu time spent up to now is 191.2 secs Computing kpt #: 73 total cpu time spent up to now is 193.3 secs Computing kpt #: 74 total cpu time spent up to now is 195.1 secs Computing kpt #: 75 total cpu time spent up to now is 196.9 secs Computing kpt #: 76 total cpu time spent up to now is 198.8 secs Computing kpt #: 77 total cpu time spent up to now is 200.7 secs Computing kpt #: 78 total cpu time spent up to now is 202.6 secs Computing kpt #: 79 total cpu time spent up to now is 204.6 secs Computing kpt #: 80 total cpu time spent up to now is 206.5 secs Computing kpt #: 81 total cpu time spent up to now is 208.5 secs Computing kpt #: 82 total cpu time spent up to now is 210.4 secs Computing kpt #: 83 total cpu time spent up to now is 212.1 secs Computing kpt #: 84 total cpu time spent up to now is 213.9 secs Computing kpt #: 85 total cpu time spent up to now is 215.7 secs Computing kpt #: 86 total cpu time spent up to now is 217.6 secs Computing kpt #: 87 total cpu time spent up to now is 219.5 secs Computing kpt #: 88 total cpu time spent up to now is 221.4 secs Computing kpt #: 89 total cpu time spent up to now is 223.2 secs Computing kpt #: 90 total cpu time spent up to now is 225.0 secs Computing kpt #: 91 total cpu time spent up to now is 226.8 secs Computing kpt #: 92 total cpu time spent up to now is 228.8 secs Computing kpt #: 93 total cpu time spent up to now is 230.6 secs Computing kpt #: 94 total cpu time spent up to now is 232.4 secs Computing kpt #: 95 total cpu time spent up to now is 234.6 secs Computing kpt #: 96 total cpu time spent up to now is 236.5 secs Computing kpt #: 97 total cpu time spent up to now is 238.6 secs Computing kpt #: 98 total cpu time spent up to now is 240.9 secs Computing kpt #: 99 total cpu time spent up to now is 243.4 secs Computing kpt #: 100 total cpu time spent up to now is 245.8 secs Computing kpt #: 101 total cpu time spent up to now is 248.3 secs Computing kpt #: 102 total cpu time spent up to now is 250.9 secs Computing kpt #: 103 total cpu time spent up to now is 253.6 secs Computing kpt #: 104 total cpu time spent up to now is 255.9 secs Computing kpt #: 105 total cpu time spent up to now is 257.9 secs Computing kpt #: 106 total cpu time spent up to now is 259.8 secs Computing kpt #: 107 total cpu time spent up to now is 261.6 secs Computing kpt #: 108 total cpu time spent up to now is 263.5 secs Computing kpt #: 109 total cpu time spent up to now is 265.2 secs Computing kpt #: 110 total cpu time spent up to now is 266.9 secs Computing kpt #: 111 total cpu time spent up to now is 268.6 secs Computing kpt #: 112 total cpu time spent up to now is 270.3 secs Computing kpt #: 113 total cpu time spent up to now is 272.0 secs Computing kpt #: 114 total cpu time spent up to now is 273.7 secs Computing kpt #: 115 total cpu time spent up to now is 275.4 secs Computing kpt #: 116 total cpu time spent up to now is 277.0 secs Computing kpt #: 117 total cpu time spent up to now is 278.7 secs Computing kpt #: 118 total cpu time spent up to now is 280.4 secs Computing kpt #: 119 total cpu time spent up to now is 282.1 secs Computing kpt #: 120 total cpu time spent up to now is 283.7 secs Computing kpt #: 121 total cpu time spent up to now is 285.3 secs Computing kpt #: 122 total cpu time spent up to now is 287.0 secs Computing kpt #: 123 total cpu time spent up to now is 288.6 secs Computing kpt #: 124 total cpu time spent up to now is 290.2 secs Computing kpt #: 125 total cpu time spent up to now is 291.8 secs Computing kpt #: 126 total cpu time spent up to now is 293.4 secs Computing kpt #: 127 total cpu time spent up to now is 295.0 secs Computing kpt #: 128 total cpu time spent up to now is 296.7 secs Computing kpt #: 129 total cpu time spent up to now is 298.3 secs Computing kpt #: 130 total cpu time spent up to now is 300.1 secs Computing kpt #: 131 total cpu time spent up to now is 301.7 secs Computing kpt #: 132 total cpu time spent up to now is 303.4 secs Computing kpt #: 133 total cpu time spent up to now is 305.3 secs Computing kpt #: 134 total cpu time spent up to now is 306.9 secs Computing kpt #: 135 total cpu time spent up to now is 308.8 secs Computing kpt #: 136 total cpu time spent up to now is 310.6 secs Computing kpt #: 137 total cpu time spent up to now is 312.6 secs Computing kpt #: 138 total cpu time spent up to now is 314.4 secs Computing kpt #: 139 total cpu time spent up to now is 316.5 secs Computing kpt #: 140 total cpu time spent up to now is 318.7 secs Computing kpt #: 141 total cpu time spent up to now is 320.8 secs Computing kpt #: 142 total cpu time spent up to now is 322.9 secs Computing kpt #: 143 total cpu time spent up to now is 325.1 secs Computing kpt #: 144 total cpu time spent up to now is 327.2 secs Computing kpt #: 145 total cpu time spent up to now is 329.4 secs Computing kpt #: 146 total cpu time spent up to now is 331.6 secs Computing kpt #: 147 total cpu time spent up to now is 333.8 secs Computing kpt #: 148 total cpu time spent up to now is 336.0 secs Computing kpt #: 149 total cpu time spent up to now is 338.4 secs Computing kpt #: 150 total cpu time spent up to now is 340.3 secs Computing kpt #: 151 total cpu time spent up to now is 343.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.9 secs Computing kpt #: 153 total cpu time spent up to now is 349.5 secs Computing kpt #: 154 total cpu time spent up to now is 351.6 secs Computing kpt #: 155 total cpu time spent up to now is 353.5 secs Computing kpt #: 156 total cpu time spent up to now is 355.3 secs Computing kpt #: 157 total cpu time spent up to now is 357.1 secs Computing kpt #: 158 total cpu time spent up to now is 358.9 secs Computing kpt #: 159 total cpu time spent up to now is 360.7 secs Computing kpt #: 160 total cpu time spent up to now is 362.7 secs Computing kpt #: 161 total cpu time spent up to now is 364.6 secs Computing kpt #: 162 total cpu time spent up to now is 366.5 secs Computing kpt #: 163 total cpu time spent up to now is 368.3 secs Computing kpt #: 164 total cpu time spent up to now is 369.9 secs Computing kpt #: 165 total cpu time spent up to now is 371.6 secs Computing kpt #: 166 total cpu time spent up to now is 373.4 secs Computing kpt #: 167 total cpu time spent up to now is 375.1 secs Computing kpt #: 168 total cpu time spent up to now is 376.9 secs Computing kpt #: 169 total cpu time spent up to now is 378.6 secs Computing kpt #: 170 total cpu time spent up to now is 380.2 secs Computing kpt #: 171 total cpu time spent up to now is 381.9 secs Computing kpt #: 172 total cpu time spent up to now is 383.6 secs Computing kpt #: 173 total cpu time spent up to now is 385.2 secs Computing kpt #: 174 total cpu time spent up to now is 386.8 secs Computing kpt #: 175 total cpu time spent up to now is 388.5 secs Computing kpt #: 176 total cpu time spent up to now is 390.2 secs Computing kpt #: 177 total cpu time spent up to now is 391.8 secs Computing kpt #: 178 total cpu time spent up to now is 393.4 secs Computing kpt #: 179 total cpu time spent up to now is 395.1 secs Computing kpt #: 180 total cpu time spent up to now is 396.8 secs Computing kpt #: 181 total cpu time spent up to now is 398.4 secs Computing kpt #: 182 total cpu time spent up to now is 400.0 secs Computing kpt #: 183 total cpu time spent up to now is 401.7 secs Computing kpt #: 184 total cpu time spent up to now is 403.3 secs Computing kpt #: 185 total cpu time spent up to now is 405.0 secs Computing kpt #: 186 total cpu time spent up to now is 406.6 secs Computing kpt #: 187 total cpu time spent up to now is 408.1 secs Computing kpt #: 188 total cpu time spent up to now is 409.6 secs Computing kpt #: 189 total cpu time spent up to now is 411.1 secs Computing kpt #: 190 total cpu time spent up to now is 412.7 secs Computing kpt #: 191 total cpu time spent up to now is 414.2 secs Computing kpt #: 192 total cpu time spent up to now is 415.7 secs Computing kpt #: 193 total cpu time spent up to now is 417.1 secs Computing kpt #: 194 total cpu time spent up to now is 418.6 secs Computing kpt #: 195 total cpu time spent up to now is 420.1 secs Computing kpt #: 196 total cpu time spent up to now is 421.7 secs Computing kpt #: 197 total cpu time spent up to now is 423.2 secs Computing kpt #: 198 total cpu time spent up to now is 424.9 secs Computing kpt #: 199 total cpu time spent up to now is 426.4 secs Computing kpt #: 200 total cpu time spent up to now is 428.0 secs Computing kpt #: 201 total cpu time spent up to now is 429.5 secs Computing kpt #: 202 total cpu time spent up to now is 431.1 secs Computing kpt #: 203 total cpu time spent up to now is 432.7 secs Computing kpt #: 204 total cpu time spent up to now is 434.3 secs Computing kpt #: 205 total cpu time spent up to now is 435.9 secs Computing kpt #: 206 total cpu time spent up to now is 437.6 secs Computing kpt #: 207 total cpu time spent up to now is 439.3 secs Computing kpt #: 208 total cpu time spent up to now is 440.9 secs Computing kpt #: 209 total cpu time spent up to now is 442.6 secs Computing kpt #: 210 total cpu time spent up to now is 444.4 secs Computing kpt #: 211 total cpu time spent up to now is 446.1 secs Computing kpt #: 212 total cpu time spent up to now is 447.9 secs Computing kpt #: 213 total cpu time spent up to now is 449.7 secs Computing kpt #: 214 total cpu time spent up to now is 451.5 secs Computing kpt #: 215 total cpu time spent up to now is 453.3 secs Computing kpt #: 216 total cpu time spent up to now is 455.2 secs Computing kpt #: 217 total cpu time spent up to now is 457.0 secs Computing kpt #: 218 total cpu time spent up to now is 458.8 secs Computing kpt #: 219 total cpu time spent up to now is 460.7 secs Computing kpt #: 220 total cpu time spent up to now is 462.5 secs Computing kpt #: 221 total cpu time spent up to now is 464.3 secs Computing kpt #: 222 total cpu time spent up to now is 466.1 secs Computing kpt #: 223 total cpu time spent up to now is 468.0 secs Computing kpt #: 224 total cpu time spent up to now is 469.9 secs Computing kpt #: 225 total cpu time spent up to now is 472.5 secs Computing kpt #: 226 total cpu time spent up to now is 475.2 secs Computing kpt #: 227 total cpu time spent up to now is 477.2 secs Computing kpt #: 228 total cpu time spent up to now is 479.0 secs Computing kpt #: 229 total cpu time spent up to now is 480.9 secs Computing kpt #: 230 total cpu time spent up to now is 482.7 secs Computing kpt #: 231 total cpu time spent up to now is 484.5 secs Computing kpt #: 232 total cpu time spent up to now is 486.5 secs Computing kpt #: 233 total cpu time spent up to now is 488.2 secs Computing kpt #: 234 total cpu time spent up to now is 490.3 secs Computing kpt #: 235 total cpu time spent up to now is 492.1 secs Computing kpt #: 236 total cpu time spent up to now is 494.0 secs Computing kpt #: 237 total cpu time spent up to now is 495.8 secs Computing kpt #: 238 total cpu time spent up to now is 497.7 secs Computing kpt #: 239 total cpu time spent up to now is 499.6 secs Computing kpt #: 240 total cpu time spent up to now is 501.3 secs Computing kpt #: 241 total cpu time spent up to now is 503.2 secs Computing kpt #: 242 total cpu time spent up to now is 505.0 secs Computing kpt #: 243 total cpu time spent up to now is 506.7 secs Computing kpt #: 244 total cpu time spent up to now is 508.6 secs Computing kpt #: 245 total cpu time spent up to now is 510.4 secs Computing kpt #: 246 total cpu time spent up to now is 512.2 secs Computing kpt #: 247 total cpu time spent up to now is 513.9 secs Computing kpt #: 248 total cpu time spent up to now is 515.7 secs Computing kpt #: 249 total cpu time spent up to now is 517.5 secs Computing kpt #: 250 total cpu time spent up to now is 519.2 secs Computing kpt #: 251 total cpu time spent up to now is 521.0 secs Computing kpt #: 252 total cpu time spent up to now is 522.7 secs Computing kpt #: 253 total cpu time spent up to now is 524.5 secs Computing kpt #: 254 total cpu time spent up to now is 526.2 secs Computing kpt #: 255 total cpu time spent up to now is 528.0 secs Computing kpt #: 256 total cpu time spent up to now is 529.8 secs Computing kpt #: 257 total cpu time spent up to now is 531.5 secs Computing kpt #: 258 total cpu time spent up to now is 533.1 secs Computing kpt #: 259 total cpu time spent up to now is 534.9 secs Computing kpt #: 260 total cpu time spent up to now is 536.5 secs Computing kpt #: 261 total cpu time spent up to now is 538.3 secs Computing kpt #: 262 total cpu time spent up to now is 540.0 secs Computing kpt #: 263 total cpu time spent up to now is 541.6 secs Computing kpt #: 264 total cpu time spent up to now is 543.5 secs Computing kpt #: 265 total cpu time spent up to now is 545.3 secs Computing kpt #: 266 total cpu time spent up to now is 547.4 secs Computing kpt #: 267 total cpu time spent up to now is 549.5 secs Computing kpt #: 268 total cpu time spent up to now is 551.3 secs Computing kpt #: 269 total cpu time spent up to now is 553.2 secs Computing kpt #: 270 total cpu time spent up to now is 555.7 secs Computing kpt #: 271 total cpu time spent up to now is 558.2 secs Computing kpt #: 272 total cpu time spent up to now is 561.5 secs Computing kpt #: 273 total cpu time spent up to now is 565.0 secs Computing kpt #: 274 total cpu time spent up to now is 567.3 secs Computing kpt #: 275 total cpu time spent up to now is 570.4 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.0 secs Computing kpt #: 277 total cpu time spent up to now is 575.6 secs Computing kpt #: 278 total cpu time spent up to now is 577.2 secs Computing kpt #: 279 total cpu time spent up to now is 578.7 secs Computing kpt #: 280 total cpu time spent up to now is 580.4 secs Computing kpt #: 281 total cpu time spent up to now is 581.9 secs Computing kpt #: 282 total cpu time spent up to now is 583.5 secs Computing kpt #: 283 total cpu time spent up to now is 585.2 secs Computing kpt #: 284 total cpu time spent up to now is 586.7 secs Computing kpt #: 285 total cpu time spent up to now is 588.4 secs Computing kpt #: 286 total cpu time spent up to now is 589.9 secs Computing kpt #: 287 total cpu time spent up to now is 591.5 secs Computing kpt #: 288 total cpu time spent up to now is 592.9 secs Computing kpt #: 289 total cpu time spent up to now is 594.5 secs Computing kpt #: 290 total cpu time spent up to now is 596.0 secs Computing kpt #: 291 total cpu time spent up to now is 597.5 secs Computing kpt #: 292 total cpu time spent up to now is 599.0 secs Computing kpt #: 293 total cpu time spent up to now is 600.4 secs Computing kpt #: 294 total cpu time spent up to now is 601.8 secs Computing kpt #: 295 total cpu time spent up to now is 603.3 secs Computing kpt #: 296 total cpu time spent up to now is 604.8 secs Computing kpt #: 297 total cpu time spent up to now is 606.3 secs Computing kpt #: 298 total cpu time spent up to now is 607.8 secs Computing kpt #: 299 total cpu time spent up to now is 609.2 secs Computing kpt #: 300 total cpu time spent up to now is 610.7 secs Computing kpt #: 301 total cpu time spent up to now is 612.1 secs Computing kpt #: 302 total cpu time spent up to now is 613.6 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.2 secs Computing kpt #: 304 total cpu time spent up to now is 619.2 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 622.7 secs Computing kpt #: 306 total cpu time spent up to now is 624.5 secs Computing kpt #: 307 total cpu time spent up to now is 626.5 secs Computing kpt #: 308 total cpu time spent up to now is 628.3 secs Computing kpt #: 309 total cpu time spent up to now is 630.2 secs Computing kpt #: 310 total cpu time spent up to now is 632.3 secs Computing kpt #: 311 total cpu time spent up to now is 634.3 secs Computing kpt #: 312 total cpu time spent up to now is 636.9 secs Computing kpt #: 313 total cpu time spent up to now is 639.5 secs Computing kpt #: 314 total cpu time spent up to now is 642.0 secs Computing kpt #: 315 total cpu time spent up to now is 644.4 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 648.0 secs Computing kpt #: 317 total cpu time spent up to now is 650.5 secs Computing kpt #: 318 total cpu time spent up to now is 653.0 secs Computing kpt #: 319 total cpu time spent up to now is 655.4 secs Computing kpt #: 320 total cpu time spent up to now is 657.8 secs Computing kpt #: 321 total cpu time spent up to now is 659.9 secs Computing kpt #: 322 total cpu time spent up to now is 662.0 secs Computing kpt #: 323 total cpu time spent up to now is 664.0 secs Computing kpt #: 324 total cpu time spent up to now is 666.1 secs Computing kpt #: 325 total cpu time spent up to now is 667.9 secs Computing kpt #: 326 total cpu time spent up to now is 669.8 secs Computing kpt #: 327 total cpu time spent up to now is 671.7 secs Computing kpt #: 328 total cpu time spent up to now is 673.4 secs ethr = 2.63E-11, avg # of iterations = 34.5 total cpu time spent up to now is 674.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7270 -5.7270 -5.0744 -5.0744 -3.1691 -3.1691 -2.9863 -2.9863 -2.4839 -2.4839 -2.4663 -2.4663 -2.2278 -2.2278 1.4490 1.4490 3.4322 3.4322 3.7110 3.7110 4.1356 4.1356 4.6131 4.6131 4.7178 4.7178 6.0732 6.0732 6.3378 6.3378 7.3103 7.3103 7.3732 7.3732 7.8786 7.8786 8.0420 8.0420 k = 0.0000 0.0139-0.0000 ( 4891 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7264 -5.7264 -5.0751 -5.0737 -3.1701 -3.1680 -2.9930 -2.9794 -2.4885 -2.4794 -2.4677 -2.4646 -2.2289 -2.2264 1.4449 1.4543 3.4241 3.4373 3.7083 3.7110 4.1288 4.1386 4.6044 4.6165 4.7132 4.7161 6.0749 6.0769 6.3376 6.3384 7.2989 7.3209 7.3713 7.3713 7.8725 7.8879 8.0431 8.0443 k = 0.0000 0.0278-0.0000 ( 4895 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7246 -5.7245 -5.0758 -5.0730 -3.1708 -3.1665 -2.9995 -2.9724 -2.4931 -2.4753 -2.4685 -2.4626 -2.2297 -2.2246 1.4421 1.4610 3.4124 3.4392 3.7032 3.7088 4.1183 4.1378 4.5892 4.6152 4.7044 4.7076 6.0821 6.0857 6.3379 6.3396 7.2846 7.3301 7.3650 7.3689 7.8706 7.8981 8.0484 8.0499 k = 0.0000 0.0417-0.0000 ( 4897 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7215 -5.7215 -5.0764 -5.0723 -3.1714 -3.1648 -3.0058 -2.9651 -2.4977 -2.4730 -2.4674 -2.4605 -2.2302 -2.2224 1.4405 1.4690 3.3967 3.4378 3.6959 3.7049 4.1041 4.1326 4.5661 4.6081 4.6942 4.6946 6.0940 6.0985 6.3388 6.3413 7.2648 7.3289 7.3627 7.3693 7.8727 7.9070 8.0588 8.0592 k = 0.0000 0.0556-0.0000 ( 4897 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7172 -5.7172 -5.0771 -5.0716 -3.1717 -3.1629 -3.0119 -2.9578 -2.5021 -2.4731 -2.4639 -2.4581 -2.2304 -2.2198 1.4400 1.4783 3.3763 3.4324 3.6875 3.7000 4.0860 4.1226 4.5353 4.5930 4.6797 4.6858 6.1098 6.1144 6.3402 6.3436 7.2391 7.3094 7.3717 7.3735 7.8778 7.9128 8.0731 8.0752 k = 0.0000 0.0694-0.0000 ( 4889 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7118 -5.7117 -5.0777 -5.0709 -3.1719 -3.1605 -3.0176 -2.9503 -2.5063 -2.4737 -2.4598 -2.4554 -2.2304 -2.2168 1.4406 1.4888 3.3504 3.4220 3.6790 3.6949 4.0638 4.1071 4.4989 4.5680 4.6681 4.6787 6.1284 6.1323 6.3423 6.3465 7.2085 7.2802 7.3801 7.3835 7.8836 7.9147 8.0928 8.0978 k = 0.0000 0.0833-0.0000 ( 4885 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7051 -5.7050 -5.0784 -5.0703 -3.1719 -3.1578 -3.0232 -2.9428 -2.5103 -2.4744 -2.4556 -2.4525 -2.2303 -2.2134 1.4421 1.5007 3.3185 3.4059 3.6717 3.6905 4.0371 4.0852 4.4600 4.5347 4.6599 4.6729 6.1486 6.1512 6.3448 6.3499 7.1745 7.2455 7.3871 7.3937 7.8882 7.9129 8.1193 8.1261 k = 0.0000 0.0972-0.0000 ( 4895 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.6973 -5.6972 -5.0791 -5.0697 -3.1717 -3.1548 -3.0286 -2.9354 -2.5142 -2.4750 -2.4517 -2.4493 -2.2300 -2.2097 1.4443 1.5137 3.2804 3.3835 3.6667 3.6869 4.0055 4.0564 4.4215 4.4964 4.6539 4.6680 6.1695 6.1703 6.3480 6.3538 7.1381 7.2073 7.3922 7.4002 7.8900 7.9078 8.1528 8.1596 k = 0.0000 0.1111-0.0000 ( 4903 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0472 -36.0472 -35.9770 -35.9769 -5.6883 -5.6883 -5.0798 -5.0692 -3.1715 -3.1515 -3.0337 -2.9279 -2.5178 -2.4756 -2.4479 -2.4460 -2.2296 -2.2056 1.4473 1.5278 3.2364 3.3547 3.6645 3.6843 3.9688 4.0206 4.3856 4.4561 4.6490 4.6635 6.1892 6.1905 6.3517 6.3584 7.1006 7.1670 7.3937 7.4018 7.8886 7.9001 8.1926 8.1978 k = 0.0000 0.1250-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9770 -35.9769 -5.6783 -5.6783 -5.0806 -5.0689 -3.1710 -3.1477 -3.0386 -2.9205 -2.5211 -2.4761 -2.4443 -2.4423 -2.2291 -2.2012 1.4507 1.5428 3.1868 3.3202 3.6651 3.6821 3.9272 3.9788 4.3535 4.4160 4.6445 4.6592 6.2075 6.2110 6.3561 6.3636 7.0625 7.1256 7.3902 7.3978 7.8839 7.8901 8.2373 8.2401 k = 0.0000 0.1389-0.0000 ( 4905 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9770 -35.9768 -5.6673 -5.6672 -5.0814 -5.0687 -3.1704 -3.1434 -3.0432 -2.9132 -2.5240 -2.4765 -2.4409 -2.4383 -2.2285 -2.1964 1.4543 1.5587 3.1324 3.2808 3.6678 3.6789 3.8811 3.9333 4.3251 4.3772 4.6400 4.6548 6.2251 6.2309 6.3612 6.3695 7.0244 7.0839 7.3807 7.3879 7.8760 7.8782 8.2853 8.2858 k = 0.0000 0.1528-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9769 -5.6553 -5.6551 -5.0824 -5.0686 -3.1697 -3.1388 -3.0476 -2.9061 -2.5266 -2.4769 -2.4376 -2.4341 -2.2279 -2.1914 1.4581 1.5751 3.0743 3.2380 3.6714 3.6721 3.8319 3.8882 4.2999 4.3404 4.6355 4.6503 6.2417 6.2497 6.3670 6.3761 6.9868 7.0426 7.3652 7.3722 7.8645 7.8655 8.3341 8.3349 k = 0.0000 0.1667-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.6424 -5.6421 -5.0835 -5.0688 -3.1689 -3.1337 -3.0518 -2.8991 -2.5289 -2.4772 -2.4345 -2.4295 -2.2272 -2.1862 1.4617 1.5919 3.0134 3.1928 3.6569 3.6725 3.7832 3.8495 4.2769 4.3057 4.6306 4.6455 6.2573 6.2676 6.3736 6.3834 6.9500 7.0021 7.3436 7.3510 7.8493 7.8527 8.3840 8.3847 k = 0.0000 0.1806-0.0000 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.6286 -5.6282 -5.0848 -5.0691 -3.1680 -3.1281 -3.0558 -2.8925 -2.5309 -2.4774 -2.4317 -2.4247 -2.2267 -2.1809 1.4648 1.6087 2.9510 3.1465 3.6282 3.6600 3.7466 3.8237 4.2551 4.2728 4.6255 4.6404 6.2720 6.2845 6.3808 6.3914 6.9143 6.9628 7.3165 7.3246 7.8326 7.8378 8.4333 8.4343 k = 0.0000 0.1944-0.0000 ( 4909 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9768 -5.6140 -5.6134 -5.0863 -5.0698 -3.1669 -3.1221 -3.0595 -2.8861 -2.5324 -2.4776 -2.4289 -2.4195 -2.2262 -2.1755 1.4673 1.6251 2.8882 3.1004 3.5851 3.6207 3.7359 3.8124 4.2339 4.2414 4.6200 4.6348 6.2857 6.3004 6.3889 6.4002 6.8800 6.9250 7.2845 7.2938 7.8147 7.8213 8.4802 8.4843 k = 0.0000 0.2083-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0473 -36.0473 -35.9771 -35.9769 -5.5987 -5.5979 -5.0879 -5.0708 -3.1657 -3.1156 -3.0630 -2.8801 -2.5336 -2.4779 -2.4261 -2.4141 -2.2259 -2.1702 1.4689 1.6407 2.8264 3.0553 3.5321 3.5654 3.7410 3.8119 4.2110 4.2126 4.6140 4.6287 6.2984 6.3153 6.3978 6.4097 6.8472 6.8890 7.2484 7.2591 7.7955 7.8032 8.5246 8.5331 k = 0.0000 0.2222-0.0000 ( 4903 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0473 -36.0473 -35.9771 -35.9768 -5.5826 -5.5816 -5.0899 -5.0721 -3.1644 -3.1087 -3.0662 -2.8745 -2.5343 -2.4782 -2.4235 -2.4083 -2.2256 -2.1650 1.4692 1.6548 2.7667 3.0122 3.4739 3.5050 3.7513 3.8181 4.1812 4.1908 4.6077 4.6222 6.3100 6.3292 6.4075 6.4200 6.8161 6.8551 7.2091 7.2214 7.7754 7.7838 8.5665 8.5800 k = 0.0000 0.2361-0.0000 ( 4901 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9768 -5.5660 -5.5647 -5.0921 -5.0738 -3.1629 -3.1014 -3.0691 -2.8694 -2.5347 -2.4784 -2.4208 -2.4022 -2.2256 -2.1600 1.4681 1.6668 2.7105 2.9719 3.4135 3.4433 3.7635 3.8284 4.1519 4.1680 4.6009 4.6152 6.3207 6.3422 6.4180 6.4311 6.7868 6.8234 7.1673 7.1813 7.7542 7.7632 8.6057 8.6246 k = 0.0000 0.2500-0.0000 ( 4905 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.5488 -5.5472 -5.0947 -5.0759 -3.1614 -3.0942 -3.0714 -2.8648 -2.5347 -2.4787 -2.4182 -2.3958 -2.2258 -2.1554 1.4654 1.6759 2.6591 2.9349 3.3529 3.3820 3.7763 3.8412 4.1230 4.1439 4.5937 4.6076 6.3303 6.3541 6.4293 6.4430 6.7594 6.7940 7.1240 7.1395 7.7320 7.7416 8.6425 8.6665 k = 0.0000 0.2639-0.0000 ( 4903 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.5311 -5.5293 -5.0976 -5.0785 -3.1598 -3.0879 -3.0721 -2.8609 -2.5344 -2.4790 -2.4155 -2.3891 -2.2262 -2.1512 1.4610 1.6813 2.6136 2.9015 3.2932 3.3223 3.7887 3.8559 4.0946 4.1184 4.5860 4.5996 6.3388 6.3652 6.4414 6.4555 6.7341 6.7672 7.0798 7.0967 7.7091 7.7190 8.6769 8.7058 k = 0.0000 0.2778-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0475 -35.9771 -35.9769 -5.5131 -5.5109 -5.1010 -5.0816 -3.1581 -3.0850 -3.0690 -2.8576 -2.5337 -2.4794 -2.4127 -2.3822 -2.2268 -2.1475 1.4549 1.6822 2.5750 2.8718 3.2354 3.2651 3.7997 3.8718 4.0674 4.0914 4.5780 4.5910 6.3463 6.3751 6.4541 6.4687 6.7109 6.7430 7.0354 7.0535 7.6854 7.6955 8.7093 8.7423 k = 0.0000 0.2917-0.0000 ( 4909 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0475 -36.0475 -35.9771 -35.9769 -5.4947 -5.4921 -5.1048 -5.0852 -3.1562 -3.0856 -3.0618 -2.8549 -2.5327 -2.4798 -2.4097 -2.3751 -2.2277 -2.1443 1.4471 1.6780 2.5443 2.8454 3.1801 3.2117 3.8078 3.8885 4.0423 4.0626 4.5696 4.5820 6.3526 6.3840 6.4675 6.4826 6.6899 6.7215 6.9915 7.0106 7.6611 7.6715 8.7399 8.7761 k = 0.0000 0.3056-0.0000 ( 4913 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0475 -36.0475 -35.9771 -35.9769 -5.4762 -5.4731 -5.1090 -5.0894 -3.1543 -3.0875 -3.0529 -2.8530 -2.5313 -2.4803 -2.4067 -2.3679 -2.2287 -2.1418 1.4379 1.6686 2.5215 2.8217 3.1283 3.1631 3.8109 3.9057 4.0213 4.0321 4.5608 4.5727 6.3579 6.3918 6.4814 6.4969 6.6711 6.7028 6.9487 6.9684 7.6363 7.6468 8.7688 8.8075 k = 0.0000 0.3194-0.0000 ( 4913 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.4575 -5.4539 -5.1138 -5.0942 -3.1523 -3.0897 -3.0430 -2.8518 -2.5297 -2.4809 -2.4034 -2.3605 -2.2299 -2.1400 1.4275 1.6539 2.5065 2.7996 3.0805 3.1208 3.8068 3.9230 4.0001 4.0064 4.5518 4.5629 6.3621 6.3984 6.4957 6.5117 6.6547 6.6870 6.9074 6.9273 7.6113 7.6218 8.7962 8.8364 k = 0.0000 0.3333-0.0000 ( 4921 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.4387 -5.4346 -5.1191 -5.0997 -3.1503 -3.0922 -3.0328 -2.8514 -2.5279 -2.4816 -2.4000 -2.3533 -2.2312 -2.1390 1.4162 1.6347 2.4985 2.7778 3.0377 3.0861 3.7939 3.9384 3.9683 3.9992 4.5425 4.5529 6.3654 6.4038 6.5102 6.5268 6.6405 6.6740 6.8681 6.8878 7.5861 7.5966 8.8222 8.8630 k = 0.0000 0.3472-0.0000 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.4199 -5.4153 -5.1250 -5.1058 -3.1481 -3.0946 -3.0221 -2.8516 -2.5258 -2.4824 -2.3962 -2.3462 -2.2323 -2.1387 1.4046 1.6118 2.4960 2.7549 3.0006 3.0603 3.7724 3.9259 3.9629 3.9995 4.5331 4.5427 6.3679 6.4080 6.5248 6.5419 6.6286 6.6639 6.8313 6.8501 7.5611 7.5715 8.8469 8.8874 k = 0.0000 0.3611-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.4013 -5.3961 -5.1315 -5.1125 -3.1459 -3.0970 -3.0111 -2.8527 -2.5235 -2.4832 -2.3922 -2.3396 -2.2331 -2.1393 1.3930 1.5862 2.4973 2.7302 2.9704 3.0439 3.7443 3.8903 3.9787 4.0052 4.5236 4.5325 6.3697 6.4109 6.5389 6.5568 6.6189 6.6565 6.7974 6.8146 7.5364 7.5466 8.8701 8.9097 k = 0.0000 0.3750-0.0000 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0410 -36.0477 -36.0477 -35.9771 -35.9769 -5.3828 -5.3770 -5.1386 -5.1200 -3.1436 -3.0995 -3.0001 -2.8547 -2.5211 -2.4842 -2.3880 -2.3338 -2.2335 -2.1409 1.3819 1.5591 2.5007 2.7038 2.9479 3.0363 3.7121 3.8522 3.9954 4.0145 4.5142 4.5222 6.3711 6.4127 6.5522 6.5711 6.6112 6.6519 6.7667 6.7814 7.5124 7.5222 8.8920 8.9298 k = 0.0000 0.3889-0.0000 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.3646 -5.3581 -5.1464 -5.1283 -3.1413 -3.1019 -2.9890 -2.8574 -2.5186 -2.4853 -2.3835 -2.3291 -2.2330 -2.1433 1.3718 1.5314 2.5045 2.6763 2.9339 3.0362 3.6778 3.8129 4.0116 4.0256 4.5050 4.5122 6.3723 6.4133 6.5643 6.5840 6.6056 6.6500 6.7399 6.7507 7.4895 7.4988 8.9124 8.9478 k = 0.0000 0.4028-0.0000 ( 4918 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.3467 -5.3395 -5.1548 -5.1372 -3.1389 -3.1044 -2.9778 -2.8609 -2.5161 -2.4865 -2.3787 -2.3257 -2.2313 -2.1466 1.3630 1.5040 2.5073 2.6488 2.9290 3.0416 3.6430 3.7730 4.0269 4.0373 4.4961 4.5025 6.3734 6.4130 6.5745 6.5937 6.6030 6.6508 6.7177 6.7227 7.4678 7.4765 8.9312 8.9636 k = 0.0000 0.4167-0.0000 ( 4914 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.3291 -5.3212 -5.1640 -5.1470 -3.1364 -3.1068 -2.9667 -2.8651 -2.5135 -2.4879 -2.3737 -2.3239 -2.2284 -2.1508 1.3560 1.4777 2.5088 2.6224 2.9327 3.0505 3.6095 3.7331 4.0411 4.0489 4.4878 4.4933 6.3749 6.4119 6.5825 6.5950 6.6072 6.6539 6.6977 6.7007 7.4480 7.4559 8.9483 8.9771 k = 0.0000 0.4306-0.0000 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.3121 -5.3034 -5.1738 -5.1574 -3.1340 -3.1092 -2.9557 -2.8701 -2.5108 -2.4893 -2.3684 -2.3237 -2.2240 -2.1556 1.3512 1.4530 2.5090 2.5979 2.9441 3.0606 3.5790 3.6937 4.0539 4.0597 4.4803 4.4849 6.3767 6.4100 6.5885 6.5935 6.6116 6.6575 6.6770 6.6900 7.4303 7.4372 8.9635 8.9883 k = 0.0000 0.4444-0.0000 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0477 -36.0477 -35.9771 -35.9770 -5.2955 -5.2861 -5.1843 -5.1687 -3.1315 -3.1117 -2.9450 -2.8759 -2.5083 -2.4910 -2.3630 -2.3251 -2.2184 -2.1613 1.3487 1.4304 2.5086 2.5759 2.9616 3.0692 3.5537 3.6557 4.0650 4.0692 4.4737 4.4774 6.3790 6.4074 6.5925 6.5927 6.6125 6.6509 6.6702 6.6852 7.4152 7.4210 8.9768 8.9971 k = 0.0000 0.4583-0.0000 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0477 -36.0477 -35.9771 -35.9770 -5.2796 -5.2694 -5.1955 -5.1806 -3.1290 -3.1141 -2.9346 -2.8824 -2.5058 -2.4927 -2.3575 -2.3278 -2.2119 -2.1676 1.3488 1.4102 2.5086 2.5568 2.9831 3.0740 3.5356 3.6199 4.0740 4.0770 4.4684 4.4712 6.3817 6.4042 6.5924 6.5958 6.6108 6.6358 6.6749 6.6847 7.4031 7.4077 8.9879 9.0034 k = 0.0000 0.4722-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0477 -36.0477 -35.9771 -35.9770 -5.2643 -5.2536 -5.2071 -5.1932 -3.1266 -3.1166 -2.9246 -2.8896 -2.5033 -2.4946 -2.3519 -2.3315 -2.2047 -2.1745 1.3517 1.3927 2.5099 2.5411 3.0065 3.0728 3.5269 3.5876 4.0808 4.0827 4.4645 4.4664 6.3850 6.4006 6.5936 6.5982 6.6082 6.6223 6.6800 6.6858 7.3944 7.3975 8.9967 9.0072 k = 0.0000 0.4861-0.0000 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2499 -5.2395 -5.2183 -5.2063 -3.1241 -3.1191 -2.9150 -2.8975 -2.5010 -2.4966 -2.3464 -2.3360 -2.1971 -2.1818 1.3575 1.3780 2.5133 2.5286 3.0295 3.0645 3.5284 3.5604 4.0852 4.0861 4.4623 4.4632 6.3887 6.3967 6.5966 6.6001 6.6058 6.6116 6.6839 6.6866 7.3894 7.3910 9.0031 9.0084 k = 0.0000 0.5000-0.0000 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2377 -5.2377 -5.2187 -5.2187 -3.1216 -3.1216 -2.9059 -2.9059 -2.4988 -2.4988 -2.3410 -2.3410 -2.1894 -2.1894 1.3662 1.3662 2.5194 2.5194 3.0496 3.0496 3.5401 3.5401 4.0870 4.0870 4.4618 4.4618 6.3927 6.3927 6.6005 6.6005 6.6051 6.6051 6.6861 6.6861 7.3883 7.3883 9.0070 9.0070 k = 0.0000 0.5000-0.0000 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2377 -5.2377 -5.2187 -5.2187 -3.1216 -3.1216 -2.9059 -2.9059 -2.4988 -2.4988 -2.3410 -2.3410 -2.1894 -2.1894 1.3662 1.3662 2.5194 2.5194 3.0496 3.0496 3.5401 3.5401 4.0870 4.0870 4.4618 4.4618 6.3927 6.3927 6.6005 6.6005 6.6051 6.6051 6.6861 6.6861 7.3883 7.3883 9.0070 9.0070 k = 0.0139 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0477 -36.0477 -35.9770 -35.9770 -5.2376 -5.2372 -5.2192 -5.2175 -3.1268 -3.1157 -2.9100 -2.9019 -2.5012 -2.4958 -2.3443 -2.3375 -2.1899 -2.1887 1.3635 1.3685 2.5170 2.5219 3.0451 3.0552 3.5401 3.5405 4.0821 4.0895 4.4555 4.4600 6.3924 6.3929 6.5913 6.6012 6.6060 6.6068 6.6823 6.6867 7.3846 7.3879 9.0086 9.0237 k = 0.0278 0.5000-0.0000 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2369 -5.2360 -5.2191 -5.2157 -3.1317 -3.1095 -2.9142 -2.8980 -2.5032 -2.4924 -2.3476 -2.3341 -2.1901 -2.1878 1.3604 1.3704 2.5145 2.5242 3.0418 3.0620 3.5406 3.5415 4.0750 4.0897 4.4411 4.4500 6.3921 6.3932 6.5790 6.5943 6.6041 6.6097 6.6755 6.6843 7.3772 7.3836 9.0284 9.0585 k = 0.0417 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2355 -5.2342 -5.2185 -5.2133 -3.1359 -3.1027 -2.9184 -2.8941 -2.5047 -2.4885 -2.3508 -2.3306 -2.1901 -2.1866 1.3568 1.3718 2.5120 2.5264 3.0396 3.0700 3.5414 3.5430 4.0655 4.0878 4.4190 4.4322 6.3917 6.3935 6.5635 6.5839 6.5997 6.6095 6.6665 6.6794 7.3664 7.3755 9.0651 9.1102 k = 0.0556 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2335 -5.2318 -5.2172 -5.2103 -3.1397 -3.0956 -2.9226 -2.8903 -2.5057 -2.4842 -2.3539 -2.3270 -2.1899 -2.1851 1.3526 1.3727 2.5094 2.5284 3.0385 3.0792 3.5425 3.5450 4.0539 4.0838 4.3897 4.4071 6.3910 6.3935 6.5452 6.5701 6.5930 6.6058 6.6566 6.6727 7.3527 7.3639 9.1171 9.1771 k = 0.0694 0.5000-0.0000 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2310 -5.2289 -5.2153 -5.2068 -3.1429 -3.0879 -2.9269 -2.8867 -2.5062 -2.4796 -2.3568 -2.3234 -2.1894 -2.1835 1.3478 1.3731 2.5067 2.5300 3.0387 3.0896 3.5438 3.5476 4.0401 4.0780 4.3540 4.3753 6.3899 6.3931 6.5245 6.5528 6.5844 6.5983 6.6472 6.6647 7.3366 7.3493 9.1822 9.2572 k = 0.0833 0.5000-0.0000 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2279 -5.2253 -5.2128 -5.2027 -3.1455 -3.0800 -2.9312 -2.8831 -2.5062 -2.4746 -2.3596 -2.3197 -2.1887 -2.1815 1.3423 1.3727 2.5039 2.5311 3.0399 3.1010 3.5451 3.5506 4.0245 4.0705 4.3128 4.3376 6.3879 6.3919 6.5019 6.5325 6.5741 6.5874 6.6388 6.6557 7.3187 7.3323 9.2575 9.3479 k = 0.0972 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9769 -5.2242 -5.2212 -5.2097 -5.1981 -3.1475 -3.0715 -2.9355 -2.8796 -2.5057 -2.4694 -2.3619 -2.3158 -2.1877 -2.1794 1.3359 1.3716 2.5007 2.5315 3.0423 3.1137 3.5462 3.5540 4.0072 4.0617 4.2671 4.2949 6.3847 6.3895 6.4783 6.5097 6.5629 6.5743 6.6314 6.6460 7.2996 7.3133 9.3396 9.4459 k = 0.1111 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9769 -5.2200 -5.2166 -5.2062 -5.1930 -3.1490 -3.0628 -2.9397 -2.8762 -2.5049 -2.4640 -2.3639 -2.3119 -2.1866 -2.1770 1.3286 1.3694 2.4972 2.5311 3.0459 3.1274 3.5470 3.5579 3.9885 4.0518 4.2183 4.2481 6.3796 6.3850 6.4542 6.4851 6.5515 6.5602 6.6242 6.6357 7.2796 7.2928 9.4249 9.5477 k = 0.1250 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0479 -36.0479 -35.9771 -35.9769 -5.2153 -5.2114 -5.2021 -5.1874 -3.1499 -3.0538 -2.9440 -2.8729 -2.5035 -2.4586 -2.3655 -2.3078 -2.1853 -2.1745 1.3201 1.3662 2.4931 2.5296 3.0506 3.1422 3.5471 3.5620 3.9686 4.0411 4.1674 4.1984 6.3719 6.3776 6.4305 6.4595 6.5408 6.5465 6.6169 6.6248 7.2593 7.2711 9.5091 9.6487 k = 0.1389 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0479 -36.0479 -35.9771 -35.9769 -5.2101 -5.2059 -5.1975 -5.1815 -3.1502 -3.0445 -2.9482 -2.8697 -2.5018 -2.4533 -2.3663 -2.3036 -2.1839 -2.1717 1.3103 1.3617 2.4885 2.5269 3.0566 3.1579 3.5462 3.5664 3.9479 4.0299 4.1160 4.1468 6.3610 6.3659 6.4082 6.4335 6.5317 6.5343 6.6093 6.6134 7.2386 7.2486 9.5875 9.7437 k = 0.1528 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9771 -35.9769 -5.2045 -5.2000 -5.1924 -5.1752 -3.1500 -3.0350 -2.9524 -2.8667 -2.4997 -2.4483 -2.3663 -2.2992 -2.1823 -2.1687 1.2991 1.3556 2.4831 2.5228 3.0637 3.1746 3.5439 3.5709 3.9267 4.0185 4.0654 4.0943 6.3465 6.3491 6.3881 6.4075 6.5242 6.5249 6.6013 6.6014 7.2180 7.2255 9.6553 9.8266 k = 0.1667 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9771 -35.9769 -5.1986 -5.1937 -5.1869 -5.1686 -3.1492 -3.0253 -2.9565 -2.8637 -2.4974 -2.4439 -2.3654 -2.2945 -2.1806 -2.1656 1.2863 1.3479 2.4768 2.5170 3.0721 3.1922 3.5395 3.5753 3.9053 4.0065 4.0178 4.0420 6.3282 6.3284 6.3695 6.3818 6.5164 6.5206 6.5886 6.5931 7.1973 7.2020 9.7081 9.8918 k = 0.1806 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9771 -35.9769 -5.1923 -5.1872 -5.1810 -5.1618 -3.1479 -3.0154 -2.9605 -2.8608 -2.4947 -2.4402 -2.3632 -2.2896 -2.1787 -2.1623 1.2718 1.3382 2.4696 2.5096 3.0818 3.2105 3.5327 3.5796 3.8839 3.9717 3.9909 3.9971 6.3047 6.3076 6.3513 6.3564 6.5106 6.5186 6.5754 6.5848 7.1766 7.1780 9.7426 9.9348 k = 0.1944 0.5000-0.0000 ( 4886 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9771 -35.9769 -5.1857 -5.1804 -5.1747 -5.1547 -3.1461 -3.0056 -2.9644 -2.8580 -2.4918 -2.4374 -2.3597 -2.2843 -2.1768 -2.1588 1.2555 1.3264 2.4613 2.5003 3.0926 3.2294 3.5229 3.5835 3.8627 3.9321 3.9424 3.9867 6.2800 6.2848 6.3312 6.3329 6.5060 6.5184 6.5619 6.5768 7.1536 7.1557 9.7562 9.9484 k = 0.2083 0.5000-0.0000 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9771 -35.9769 -5.1789 -5.1736 -5.1680 -5.1475 -3.1438 -2.9958 -2.9679 -2.8553 -2.4887 -2.4355 -2.3549 -2.2787 -2.1747 -2.1552 1.2373 1.3123 2.4518 2.4892 3.1047 3.2488 3.5098 3.5868 3.8410 3.8980 3.8982 3.9773 6.2546 6.2609 6.3065 6.3145 6.5017 6.5190 6.5487 6.5696 7.1287 7.1346 9.7468 9.8782 k = 0.2222 0.5000-0.0000 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1719 -5.1667 -5.1610 -5.1402 -3.1410 -2.9869 -2.9707 -2.8528 -2.4855 -2.4344 -2.3488 -2.2727 -2.1727 -2.1514 1.2172 1.2958 2.4412 2.4763 3.1179 3.2686 3.4937 3.5894 3.8168 3.8611 3.8707 3.9689 6.2290 6.2362 6.2824 6.2964 6.4965 6.5174 6.5383 6.5639 7.1033 7.1131 9.7129 9.7845 k = 0.2361 0.5000-0.0000 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1647 -5.1598 -5.1536 -5.1328 -3.1377 -2.9817 -2.9696 -2.8503 -2.4822 -2.4340 -2.3416 -2.2664 -2.1707 -2.1476 1.1952 1.2768 2.4293 2.4618 3.1322 3.2884 3.4752 3.5910 3.7875 3.8349 3.8494 3.9615 6.2032 6.2110 6.2595 6.2792 6.4897 6.5084 6.5359 6.5603 7.0772 7.0911 9.6585 9.6944 k = 0.2500 0.5000-0.0000 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1575 -5.1530 -5.1461 -5.1255 -3.1341 -2.9829 -2.9622 -2.8479 -2.4788 -2.4342 -2.3335 -2.2596 -2.1686 -2.1436 1.1714 1.2552 2.4163 2.4458 3.1476 3.3082 3.4552 3.5916 3.7557 3.8178 3.8337 3.9551 6.1773 6.1855 6.2383 6.2631 6.4808 6.4943 6.5389 6.5589 7.0504 7.0685 9.5935 9.6093 k = 0.2639 0.5000-0.0000 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1503 -5.1462 -5.1385 -5.1182 -3.1301 -2.9859 -2.9529 -2.8457 -2.4755 -2.4348 -2.3248 -2.2525 -2.1664 -2.1395 1.1459 1.2312 2.4022 2.4284 3.1638 3.3276 3.4349 3.5912 3.7252 3.8061 3.8226 3.9497 6.1515 6.1597 6.2191 6.2485 6.4701 6.4786 6.5436 6.5593 7.0228 7.0451 9.5258 9.5295 k = 0.2778 0.5000-0.0000 ( 4880 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1431 -5.1395 -5.1308 -5.1111 -3.1258 -2.9893 -2.9434 -2.8435 -2.4722 -2.4357 -2.3155 -2.2449 -2.1643 -2.1354 1.1189 1.2049 2.3871 2.4101 3.1807 3.3463 3.4156 3.5900 3.6977 3.7983 3.8151 3.9452 6.1258 6.1337 6.2025 6.2357 6.4580 6.4623 6.5490 6.5611 6.9943 7.0208 9.4552 9.4594 k = 0.2917 0.5000-0.0000 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1360 -5.1329 -5.1231 -5.1041 -3.1213 -2.9928 -2.9340 -2.8415 -2.4692 -2.4367 -2.3059 -2.2370 -2.1621 -2.1312 1.0908 1.1765 2.3711 2.3909 3.1983 3.3640 3.3981 3.5887 3.6738 3.7935 3.8102 3.9415 6.1004 6.1075 6.1885 6.2251 6.4448 6.4458 6.5547 6.5638 6.9649 6.9955 9.3863 9.3962 k = 0.3056 0.5000-0.0000 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1291 -5.1264 -5.1155 -5.0974 -3.1165 -2.9964 -2.9247 -2.8396 -2.4662 -2.4378 -2.2961 -2.2289 -2.1600 -2.1271 1.0617 1.1463 2.3546 2.3714 3.2163 3.3803 3.3833 3.5877 3.6532 3.7913 3.8071 3.9384 6.0753 6.0816 6.1773 6.2168 6.4293 6.4310 6.5603 6.5669 6.9346 6.9693 9.3229 9.3370 k = 0.3194 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9769 -5.1224 -5.1202 -5.1081 -5.0909 -3.1115 -2.9999 -2.9157 -2.8378 -2.4635 -2.4389 -2.2862 -2.2207 -2.1578 -2.1229 1.0322 1.1148 2.3376 2.3516 3.2346 3.3716 3.3949 3.5877 3.6358 3.7913 3.8051 3.9357 6.0507 6.0561 6.1691 6.2109 6.4131 6.4169 6.5657 6.5700 6.9036 6.9422 9.2648 9.2821 k = 0.3333 0.5000-0.0000 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9770 -5.1159 -5.1142 -5.1010 -5.0848 -3.1064 -3.0034 -2.9071 -2.8362 -2.4609 -2.4399 -2.2763 -2.2125 -2.1554 -2.1189 1.0026 1.0823 2.3204 2.3320 3.2529 3.3633 3.4076 3.5885 3.6218 3.7931 3.8037 3.9333 6.0267 6.0312 6.1640 6.2077 6.3973 6.4027 6.5706 6.5729 6.8721 6.9143 9.2120 9.2317 k = 0.3472 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1098 -5.1084 -5.0941 -5.0791 -3.1012 -3.0069 -2.8988 -2.8349 -2.4586 -2.4409 -2.2666 -2.2047 -2.1527 -2.1149 0.9734 1.0493 2.3033 2.3127 3.2710 3.3585 3.4183 3.5876 3.6132 3.7963 3.8023 3.9309 6.0037 6.0072 6.1618 6.2072 6.3820 6.3887 6.5746 6.5753 6.8404 6.8857 9.1643 9.1857 k = 0.3611 0.5000-0.0000 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1040 -5.1030 -5.0875 -5.0737 -3.0959 -3.0103 -2.8909 -2.8337 -2.4565 -2.4418 -2.2570 -2.1974 -2.1496 -2.1112 0.9450 1.0164 2.2866 2.2942 3.2887 3.3573 3.4273 3.5810 3.6137 3.8007 3.8007 3.9284 5.9817 5.9844 6.1628 6.2094 6.3675 6.3750 6.5767 6.5773 6.8090 6.8570 9.1216 9.1440 k = 0.3750 0.5000-0.0000 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.0987 -5.0980 -5.0814 -5.0688 -3.0906 -3.0138 -2.8835 -2.8327 -2.4546 -2.4427 -2.2477 -2.1911 -2.1460 -2.1077 0.9180 0.9842 2.2705 2.2765 3.3058 3.3594 3.4346 3.5704 3.6207 3.7985 3.8061 3.9257 5.9609 5.9629 6.1668 6.2143 6.3539 6.3619 6.5768 6.5781 6.7787 6.8284 9.0837 9.1064 k = 0.3889 0.5000-0.0000 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0483 -36.0483 -35.9772 -35.9770 -5.0938 -5.0934 -5.0757 -5.0644 -3.0854 -3.0173 -2.8765 -2.8320 -2.4530 -2.4434 -2.2389 -2.1860 -2.1416 -2.1045 0.8927 0.9532 2.2553 2.2600 3.3220 3.3648 3.4405 3.5586 3.6308 3.7955 3.8123 3.9225 5.9417 5.9431 6.1739 6.2218 6.3414 6.3495 6.5751 6.5761 6.7507 6.8007 9.0504 9.0726 k = 0.4028 0.5000-0.0000 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9770 -5.0894 -5.0892 -5.0704 -5.0605 -3.0803 -3.0209 -2.8701 -2.8316 -2.4517 -2.4441 -2.2305 -2.1824 -2.1364 -2.1018 0.8698 0.9238 2.2413 2.2449 3.3373 3.3729 3.4453 3.5460 3.6425 3.7915 3.8192 3.9189 5.9241 5.9250 6.1837 6.2317 6.3300 6.3381 6.5700 6.5709 6.7266 6.7747 9.0214 9.0423 k = 0.4167 0.5000-0.0000 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9770 -5.0855 -5.0855 -5.0657 -5.0572 -3.0752 -3.0244 -2.8641 -2.8315 -2.4505 -2.4446 -2.2225 -2.1801 -2.1307 -2.0995 0.8495 0.8967 2.2287 2.2314 3.3521 3.3830 3.4488 3.5330 3.6550 3.7864 3.8267 3.9148 5.9085 5.9090 6.1963 6.2437 6.3200 6.3277 6.5589 6.5636 6.7078 6.7514 8.9964 9.0151 k = 0.4306 0.5000-0.0000 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9771 -5.0823 -5.0822 -5.0616 -5.0544 -3.0704 -3.0281 -2.8586 -2.8318 -2.4496 -2.4452 -2.2152 -2.1791 -2.1248 -2.0979 0.8322 0.8722 2.2176 2.2197 3.3667 3.3942 3.4512 3.5195 3.6681 3.7800 3.8346 3.9100 5.8949 5.8952 6.2112 6.2570 6.3115 6.3186 6.5428 6.5527 6.6950 6.7316 8.9753 8.9908 k = 0.4444 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9771 -35.9771 -5.0796 -5.0795 -5.0580 -5.0522 -3.0655 -3.0318 -2.8537 -2.8324 -2.4488 -2.4455 -2.2085 -2.1792 -2.1189 -2.0969 0.8184 0.8508 2.2083 2.2098 3.3814 3.4055 3.4522 3.5055 3.6812 3.7725 3.8429 3.9045 5.8836 5.8837 6.2278 6.2708 6.3047 6.3109 6.5235 6.5384 6.6875 6.7160 8.9578 8.9698 k = 0.4583 0.5000-0.0000 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0775 -5.0774 -5.0550 -5.0507 -3.0608 -3.0356 -2.8493 -2.8334 -2.4482 -2.4459 -2.2024 -2.1803 -2.1134 -2.0966 0.8083 0.8328 2.2009 2.2020 3.3964 3.4164 3.4517 3.4909 3.6944 3.7639 3.8514 3.8984 5.8746 5.8746 6.2455 6.2830 6.3001 6.3049 6.5041 6.5217 6.6838 6.7043 8.9441 8.9524 k = 0.4722 0.5000-0.0000 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0759 -5.0758 -5.0527 -5.0498 -3.0563 -3.0395 -2.8454 -2.8349 -2.4476 -2.4462 -2.1970 -2.1821 -2.1085 -2.0972 0.8021 0.8186 2.1956 2.1963 3.4116 3.4265 3.4495 3.4760 3.7073 3.7541 3.8599 3.8916 5.8681 5.8681 6.2627 6.2891 6.3002 6.3008 6.4882 6.5045 6.6828 6.6959 8.9342 8.9394 k = 0.4861 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0750 -5.0749 -5.0510 -5.0495 -3.0519 -3.0435 -2.8420 -2.8368 -2.4472 -2.4465 -2.1922 -2.1847 -2.1044 -2.0987 0.8000 0.8083 2.1925 2.1928 3.4266 3.4358 3.4455 3.4609 3.7199 3.7435 3.8683 3.8843 5.8642 5.8642 6.2770 6.2883 6.2995 6.3027 6.4794 6.4895 6.6837 6.6900 8.9286 8.9311 k = 0.5000 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0499 -5.0499 -3.0476 -3.0476 -2.8391 -2.8391 -2.4468 -2.4468 -2.1881 -2.1881 -2.1011 -2.1011 0.8021 0.8021 2.1915 2.1915 3.4386 3.4386 3.4466 3.4466 3.7320 3.7320 3.8765 3.8765 5.8628 5.8628 6.2851 6.2851 6.3014 6.3014 6.4801 6.4801 6.6861 6.6861 8.9275 8.9275 k = 0.5000 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0499 -5.0499 -3.0476 -3.0476 -2.8391 -2.8391 -2.4468 -2.4468 -2.1881 -2.1881 -2.1011 -2.1011 0.8021 0.8021 2.1915 2.1915 3.4386 3.4386 3.4466 3.4466 3.7320 3.7320 3.8765 3.8765 5.8628 5.8628 6.2851 6.2851 6.3014 6.3014 6.4801 6.4801 6.6861 6.6861 8.9275 8.9275 k = 0.4900 0.4900-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0750 -5.0749 -5.0510 -5.0495 -3.0519 -3.0434 -2.8421 -2.8367 -2.4472 -2.4465 -2.1923 -2.1847 -2.1044 -2.0987 0.8000 0.8085 2.1925 2.1928 3.4286 3.4310 3.4495 3.4596 3.7196 3.7437 3.8682 3.8845 5.8642 5.8642 6.2773 6.2879 6.2978 6.3042 6.4793 6.4899 6.6837 6.6901 8.9287 8.9310 k = 0.4800 0.4800-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0761 -5.0759 -5.0527 -5.0497 -3.0564 -3.0394 -2.8455 -2.8348 -2.4476 -2.4462 -2.1971 -2.1821 -2.1087 -2.0971 0.8023 0.8191 2.1958 2.1965 3.4140 3.4182 3.4600 3.4712 3.7065 3.7546 3.8596 3.8922 5.8683 5.8683 6.2649 6.2881 6.2909 6.3078 6.4878 6.5068 6.6830 6.6955 8.9339 8.9374 k = 0.4700 0.4700-0.0000 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0781 -5.0775 -5.0551 -5.0503 -3.0610 -3.0356 -2.8495 -2.8334 -2.4481 -2.4459 -2.2028 -2.1804 -2.1138 -2.0964 0.8087 0.8340 2.2014 2.2025 3.3950 3.4075 3.4709 3.4812 3.6923 3.7640 3.8516 3.8999 5.8750 5.8751 6.2499 6.2801 6.2881 6.3122 6.5039 6.5285 6.6840 6.7024 8.9408 8.9436 k = 0.4600 0.4600-0.0000 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9772 -35.9771 -5.0812 -5.0801 -5.0577 -5.0511 -3.0656 -3.0320 -2.8539 -2.8324 -2.4487 -2.4457 -2.2091 -2.1797 -2.1194 -2.0963 0.8192 0.8531 2.2092 2.2108 3.3742 3.3963 3.4823 3.4898 3.6771 3.7705 3.8459 3.9078 5.8842 5.8844 6.2340 6.2674 6.2885 6.3175 6.5251 6.5532 6.6869 6.7106 8.9471 8.9483 k = 0.4500 0.4500-0.0000 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9771 -5.0856 -5.0840 -5.0604 -5.0519 -3.0702 -3.0287 -2.8589 -2.8319 -2.4494 -2.4454 -2.2164 -2.1802 -2.1255 -2.0966 0.8336 0.8761 2.2193 2.2215 3.3515 3.3846 3.4942 3.4972 3.6606 3.7716 3.8450 3.9162 5.8957 5.8961 6.2185 6.2541 6.2899 6.3234 6.5495 6.5796 6.6917 6.7201 8.9523 8.9526 k = 0.4400 0.4400-0.0000 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9770 -5.0913 -5.0893 -5.0629 -5.0527 -3.0748 -3.0256 -2.8643 -2.8318 -2.4501 -2.4451 -2.2245 -2.1820 -2.1317 -2.0970 0.8516 0.9029 2.2315 2.2346 3.3271 3.3721 3.5036 3.5066 3.6429 3.7662 3.8504 3.9253 5.9094 5.9101 6.2042 6.2416 6.2926 6.3300 6.5756 6.6069 6.6984 6.7308 8.9564 8.9577 k = 0.4300 0.4300-0.0000 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9770 -5.0984 -5.0962 -5.0650 -5.0533 -3.0794 -3.0229 -2.8702 -2.8320 -2.4509 -2.4447 -2.2336 -2.1852 -2.1378 -2.0974 0.8731 0.9333 2.2459 2.2500 3.3011 3.3589 3.5090 3.5195 3.6243 3.7560 3.8609 3.9353 5.9249 5.9260 6.1915 6.2305 6.2967 6.3374 6.6026 6.6345 6.7071 6.7428 8.9611 8.9631 k = 0.4200 0.4200-0.0000 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0483 -36.0483 -35.9772 -35.9770 -5.1069 -5.1047 -5.0667 -5.0537 -3.0840 -3.0207 -2.8765 -2.8326 -2.4519 -2.4444 -2.2437 -2.1898 -2.1437 -2.0977 0.8977 0.9670 2.2624 2.2679 3.2737 3.3448 3.5132 3.5325 3.6054 3.7435 3.8746 3.9463 5.9418 5.9436 6.1810 6.2216 6.3024 6.3455 6.6297 6.6619 6.7178 6.7558 8.9667 8.9691 k = 0.4100 0.4100-0.0000 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1168 -5.1146 -5.0682 -5.0541 -3.0886 -3.0188 -2.8832 -2.8334 -2.4531 -2.4441 -2.2548 -2.1958 -2.1492 -2.0977 0.9250 1.0038 2.2808 2.2880 3.2449 3.3297 3.5160 3.5445 3.5878 3.7309 3.8903 3.9583 5.9597 5.9624 6.1730 6.2154 6.3098 6.3546 6.6565 6.6885 6.7305 6.7699 8.9735 8.9761 k = 0.4000 0.4000-0.0000 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1279 -5.1258 -5.0695 -5.0543 -3.0932 -3.0175 -2.8904 -2.8345 -2.4544 -2.4437 -2.2667 -2.2031 -2.1543 -2.0976 0.9549 1.0433 2.3012 2.3106 3.2151 3.3138 3.5171 3.5481 3.5792 3.7195 3.9071 3.9713 5.9780 5.9818 6.1678 6.2124 6.3191 6.3646 6.6827 6.7141 6.7455 6.7850 8.9816 8.9842 k = 0.3900 0.3900-0.0000 ( 4886 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1401 -5.1382 -5.0706 -5.0545 -3.0976 -3.0167 -2.8979 -2.8357 -2.4558 -2.4433 -2.2792 -2.2113 -2.1589 -2.0974 0.9869 1.0852 2.3234 2.3355 3.1845 3.2970 3.5159 3.5354 3.5878 3.7109 3.9249 3.9854 5.9959 6.0011 6.1662 6.2132 6.3303 6.3758 6.7080 6.7385 6.7627 6.8012 8.9913 8.9937 k = 0.3800 0.3800-0.0000 ( 4874 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1535 -5.1518 -5.0717 -5.0547 -3.1019 -3.0165 -2.9056 -2.8370 -2.4574 -2.4427 -2.2922 -2.2204 -2.1630 -2.0970 1.0205 1.1293 2.3472 2.3628 3.1535 3.2796 3.5122 3.5175 3.6029 3.7061 3.9433 4.0004 6.0129 6.0194 6.1687 6.2182 6.3436 6.3882 6.7323 6.7615 6.7820 6.8184 9.0027 9.0049 k = 0.3700 0.3700-0.0000 ( 4875 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1680 -5.1663 -5.0727 -5.0548 -3.1062 -3.0169 -2.9137 -2.8384 -2.4593 -2.4422 -2.3055 -2.2301 -2.1667 -2.0967 1.0555 1.1750 2.3725 2.3924 3.1224 3.2615 3.4992 3.5060 3.6200 3.7055 3.9622 4.0163 6.0282 6.0357 6.1759 6.2276 6.3589 6.4018 6.7555 6.7838 6.8026 6.8365 9.0160 9.0178 k = 0.3600 0.3600-0.0000 ( 4877 PWs) bands (ev): -64.9719 -64.9718 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1834 -5.1819 -5.0736 -5.0550 -3.1103 -3.0180 -2.9220 -2.8397 -2.4614 -2.4416 -2.3189 -2.2403 -2.1701 -2.0966 1.0915 1.2221 2.3989 2.4243 3.0920 3.2430 3.4817 3.4978 3.6381 3.7091 3.9814 4.0332 6.0416 6.0493 6.1881 6.2416 6.3764 6.4168 6.7777 6.8062 6.8238 6.8554 9.0313 9.0327 k = 0.3500 0.3500-0.0000 ( 4885 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1997 -5.1984 -5.0745 -5.0551 -3.1144 -3.0197 -2.9305 -2.8410 -2.4638 -2.4410 -2.3321 -2.2508 -2.1732 -2.0967 1.1279 1.2702 2.4261 2.4585 3.0629 3.2244 3.4655 3.4883 3.6571 3.7166 4.0009 4.0509 6.0530 6.0601 6.2051 6.2596 6.3960 6.4332 6.7989 6.8292 6.8450 6.8752 9.0489 9.0497 k = 0.3400 0.3400-0.0000 ( 4883 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0481 -36.0481 -35.9772 -35.9769 -5.2169 -5.2156 -5.0753 -5.0553 -3.1182 -3.0221 -2.9391 -2.8422 -2.4665 -2.4403 -2.3451 -2.2614 -2.1760 -2.0970 1.1645 1.3187 2.4537 2.4949 3.0360 3.2062 3.4508 3.4783 3.6768 3.7275 4.0206 4.0693 6.0628 6.0688 6.2258 6.2810 6.4179 6.4512 6.8191 6.8526 6.8663 6.8959 9.0687 9.0689 k = 0.3300 0.3300-0.0000 ( 4895 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0481 -36.0481 -35.9772 -35.9769 -5.2348 -5.2337 -5.0761 -5.0555 -3.1220 -3.0251 -2.9478 -2.8433 -2.4695 -2.4396 -2.3576 -2.2721 -2.1786 -2.0977 1.2007 1.3673 2.4810 2.5335 3.0124 3.1886 3.4378 3.4687 3.6972 3.7412 4.0403 4.0885 6.0713 6.0761 6.2491 6.3048 6.4420 6.4706 6.8383 6.8755 6.8888 6.9175 9.0907 9.0911 k = 0.3200 0.3200-0.0000 ( 4883 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.2535 -5.2524 -5.0769 -5.0557 -3.1255 -3.0286 -2.9563 -2.8443 -2.4727 -2.4388 -2.3694 -2.2825 -2.1810 -2.0986 1.2363 1.4153 2.5072 2.5741 2.9934 3.1722 3.4268 3.4599 3.7182 3.7573 4.0602 4.1084 6.0792 6.0826 6.2739 6.3302 6.4683 6.4916 6.8566 6.8965 6.9140 6.9402 9.1150 9.1160 k = 0.3100 0.3100-0.0000 ( 4891 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.2727 -5.2717 -5.0776 -5.0560 -3.1289 -3.0328 -2.9649 -2.8453 -2.4764 -2.4380 -2.3805 -2.2929 -2.1834 -2.1000 1.2706 1.4622 2.5315 2.6166 2.9804 3.1576 3.4177 3.4522 3.7397 3.7754 4.0799 4.1290 6.0865 6.0889 6.2993 6.3563 6.4969 6.5140 6.8741 6.9157 6.9419 6.9639 9.1419 9.1436 k = 0.3000 0.3000-0.0000 ( 4899 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.2924 -5.2915 -5.0782 -5.0562 -3.1321 -3.0375 -2.9734 -2.8462 -2.4804 -2.4373 -2.3908 -2.3032 -2.1856 -2.1017 1.3034 1.5073 2.5532 2.6608 2.9749 3.1454 3.4108 3.4461 3.7617 3.7954 4.0997 4.1501 6.0938 6.0951 6.3244 6.3822 6.5276 6.5380 6.8909 6.9336 6.9719 6.9886 9.1716 9.1739 k = 0.2900 0.2900-0.0000 ( 4905 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0479 -36.0479 -35.9772 -35.9769 -5.3126 -5.3118 -5.0788 -5.0565 -3.1351 -3.0426 -2.9816 -2.8470 -2.4848 -2.4365 -2.4002 -2.3131 -2.1878 -2.1038 1.3343 1.5500 2.5716 2.7065 2.9781 3.1363 3.4060 3.4416 3.7842 3.8171 4.1193 4.1717 6.1010 6.1015 6.3489 6.4075 6.5604 6.5635 6.9071 6.9507 7.0036 7.0145 9.2040 9.2069 k = 0.2800 0.2800-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0479 -36.0479 -35.9772 -35.9769 -5.3332 -5.3324 -5.0794 -5.0569 -3.1379 -3.0481 -2.9896 -2.8479 -2.4895 -2.4357 -2.4086 -2.3227 -2.1900 -2.1064 1.3629 1.5893 2.5871 2.7533 2.9903 3.1309 3.4035 3.4388 3.8072 3.8402 4.1387 4.1938 6.1082 6.1084 6.3721 6.4315 6.5904 6.5954 6.9229 6.9673 7.0370 7.0415 9.2391 9.2424 k = 0.2700 0.2700-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0479 -36.0479 -35.9772 -35.9769 -5.3540 -5.3532 -5.0799 -5.0572 -3.1406 -3.0538 -2.9973 -2.8489 -2.4944 -2.4349 -2.4161 -2.3320 -2.1921 -2.1093 1.3890 1.6245 2.6006 2.8006 3.0114 3.1302 3.4032 3.4377 3.8306 3.8647 4.1580 4.2163 6.1151 6.1158 6.3938 6.4536 6.6187 6.6323 6.9385 6.9836 7.0695 7.0719 9.2767 9.2802 k = 0.2600 0.2600-0.0000 ( 4913 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0478 -36.0478 -35.9772 -35.9769 -5.3750 -5.3743 -5.0804 -5.0576 -3.1431 -3.0598 -3.0046 -2.8499 -2.4995 -2.4341 -2.4227 -2.3410 -2.1943 -2.1127 1.4123 1.6548 2.6137 2.8476 3.0403 3.1352 3.4052 3.4384 3.8544 3.8905 4.1770 4.2391 6.1222 6.1235 6.4135 6.4735 6.6483 6.6712 6.9541 6.9996 7.0986 7.1082 9.3163 9.3197 k = 0.2500 0.2500-0.0000 ( 4921 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0478 -36.0478 -35.9772 -35.9769 -5.3960 -5.3954 -5.0808 -5.0580 -3.1455 -3.0659 -3.0115 -2.8512 -2.5046 -2.4335 -2.4285 -2.3497 -2.1964 -2.1165 1.4325 1.6797 2.6283 2.8932 3.0757 3.1470 3.4095 3.4408 3.8786 3.9175 4.1957 4.2622 6.1295 6.1312 6.4310 6.4907 6.6791 6.7119 6.9697 7.0154 7.1286 7.1459 9.3571 9.3597 k = 0.2400 0.2400-0.0000 ( 4917 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0409 -36.0477 -36.0477 -35.9772 -35.9769 -5.4171 -5.4164 -5.0812 -5.0585 -3.1476 -3.0721 -3.0179 -2.8527 -2.5096 -2.4337 -2.4328 -2.3580 -2.1986 -2.1207 1.4497 1.6986 2.6458 2.9363 3.1162 3.1669 3.4163 3.4448 3.9032 3.9456 4.2141 4.2856 6.1370 6.1391 6.4461 6.5049 6.7110 6.7544 6.9857 7.0312 7.1595 7.1849 9.3965 9.3974 k = 0.2300 0.2300-0.0000 ( 4929 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0477 -36.0477 -35.9772 -35.9769 -5.4380 -5.4374 -5.0815 -5.0589 -3.1497 -3.0784 -3.0238 -2.8546 -2.5143 -2.4383 -2.4323 -2.3660 -2.2008 -2.1252 1.4638 1.7113 2.6675 2.9757 3.1605 3.1958 3.4257 3.4505 3.9283 3.9748 4.2323 4.3091 6.1445 6.1469 6.4586 6.5160 6.7439 6.7982 7.0019 7.0468 7.1912 7.2251 9.4265 9.4272 k = 0.2200 0.2200-0.0000 ( 4919 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0477 -36.0477 -35.9772 -35.9769 -5.4588 -5.4582 -5.0817 -5.0594 -3.1516 -3.0845 -3.0291 -2.8567 -2.5186 -2.4423 -2.4318 -2.3736 -2.2029 -2.1299 1.4748 1.7180 2.6937 3.0110 3.2072 3.2337 3.4379 3.4578 3.9539 4.0051 4.2502 4.3327 6.1520 6.1547 6.4685 6.5239 6.7776 6.8435 7.0185 7.0624 7.2236 7.2665 9.4303 9.4335 k = 0.2100 0.2100-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0476 -36.0476 -35.9772 -35.9768 -5.4793 -5.4788 -5.0819 -5.0599 -3.1534 -3.0906 -3.0337 -2.8592 -2.5224 -2.4459 -2.4314 -2.3808 -2.2051 -2.1350 1.4829 1.7193 2.7246 3.0431 3.2551 3.2794 3.4533 3.4667 3.9801 4.0363 4.2678 4.3563 6.1594 6.1624 6.4756 6.5283 6.8120 6.8898 7.0355 7.0781 7.2567 7.3089 9.3929 9.4066 k = 0.2000 0.2000-0.0000 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0476 -36.0476 -35.9772 -35.9768 -5.4994 -5.4989 -5.0820 -5.0605 -3.1551 -3.0967 -3.0378 -2.8621 -2.5258 -2.4492 -2.4313 -2.3878 -2.2073 -2.1403 1.4884 1.7155 2.7599 3.0731 3.3026 3.3311 3.4729 3.4773 4.0069 4.0684 4.2851 4.3799 6.1667 6.1700 6.4800 6.5295 6.8468 6.9368 7.0528 7.0936 7.2902 7.3521 9.3301 9.3514 k = 0.1900 0.1900-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0475 -35.9772 -35.9768 -5.5191 -5.5187 -5.0821 -5.0611 -3.1568 -3.1025 -3.0411 -2.8654 -2.5285 -2.4522 -2.4312 -2.3944 -2.2094 -2.1458 1.4913 1.7077 2.7988 3.1021 3.3478 3.3864 3.4901 3.4978 4.0344 4.1013 4.3024 4.4034 6.1736 6.1772 6.4816 6.5274 6.8818 6.9842 7.0703 7.1092 7.3242 7.3960 9.2545 9.2794 k = 0.1800 0.1800-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0475 -35.9772 -35.9768 -5.5383 -5.5379 -5.0821 -5.0617 -3.1584 -3.1082 -3.0438 -2.8692 -2.5307 -2.4549 -2.4315 -2.4008 -2.2116 -2.1515 1.4922 1.6965 2.8408 3.1309 3.3885 3.4418 3.5069 3.5294 4.0628 4.1349 4.3195 4.4266 6.1802 6.1841 6.4806 6.5221 6.9168 7.0314 7.0882 7.1248 7.3585 7.4404 9.1716 9.1976 k = 0.1700 0.1700-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0474 -36.0474 -35.9771 -35.9768 -5.5569 -5.5565 -5.0821 -5.0623 -3.1600 -3.1138 -3.0457 -2.8734 -2.5322 -2.4574 -2.4319 -2.4067 -2.2137 -2.1573 1.4911 1.6827 2.8849 3.1598 3.4236 3.4872 3.5366 3.5682 4.0922 4.1691 4.3367 4.4496 6.1863 6.1904 6.4770 6.5139 6.9514 7.0776 7.1066 7.1405 7.3932 7.4850 9.0839 9.1096 k = 0.1600 0.1600-0.0000 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9772 -35.9769 -5.5748 -5.5745 -5.0820 -5.0629 -3.1615 -3.1191 -3.0469 -2.8781 -2.5331 -2.4597 -2.4326 -2.4125 -2.2157 -2.1631 1.4886 1.6671 2.9305 3.1888 3.4535 3.5132 3.5877 3.6131 4.1229 4.2036 4.3542 4.4722 6.1917 6.1961 6.4710 6.5028 6.9853 7.1177 7.1301 7.1561 7.4283 7.5297 8.9934 9.0179 k = 0.1500 0.1500-0.0000 ( 4919 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.5920 -5.5917 -5.0818 -5.0636 -3.1630 -3.1242 -3.0474 -2.8831 -2.5333 -2.4618 -2.4337 -2.4178 -2.2178 -2.1690 1.4849 1.6502 2.9768 3.2177 3.4797 3.5313 3.6475 3.6618 4.1550 4.2383 4.3722 4.4944 6.1963 6.2010 6.4626 6.4893 7.0183 7.1396 7.1697 7.1719 7.4639 7.5742 8.9014 8.9241 k = 0.1400 0.1400-0.0000 ( 4917 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0473 -36.0473 -35.9771 -35.9769 -5.6084 -5.6081 -5.0816 -5.0642 -3.1643 -3.1290 -3.0472 -2.8886 -2.5329 -2.4636 -2.4351 -2.4228 -2.2197 -2.1748 1.4803 1.6325 3.0231 3.2462 3.5036 3.5480 3.7088 3.7121 4.1888 4.2728 4.3913 4.5160 6.1998 6.2048 6.4522 6.4736 7.0499 7.1581 7.1879 7.2101 7.5000 7.6180 8.8093 8.8298 k = 0.1300 0.1300-0.0000 ( 4913 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0407 -36.0473 -36.0473 -35.9771 -35.9768 -5.6240 -5.6237 -5.0814 -5.0649 -3.1657 -3.1335 -3.0462 -2.8945 -2.5319 -2.4652 -2.4369 -2.4274 -2.2215 -2.1804 1.4752 1.6144 3.0688 3.2740 3.5260 3.5644 3.7624 3.7695 4.2244 4.3068 4.4117 4.5369 6.2021 6.2072 6.4402 6.4562 7.0799 7.1763 7.2041 7.2471 7.5369 7.6609 8.7180 8.7360 k = 0.1200 0.1200-0.0000 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.6386 -5.6383 -5.0811 -5.0656 -3.1669 -3.1379 -3.0447 -2.9007 -2.5304 -2.4666 -2.4391 -2.4315 -2.2232 -2.1859 1.4697 1.5964 3.1134 3.3006 3.5475 3.5808 3.8113 3.8281 4.2621 4.3397 4.4342 4.5570 6.2027 6.2079 6.4268 6.4376 7.1080 7.1943 7.2204 7.2797 7.5745 7.7025 8.6285 8.6438 k = 0.1100 0.1100-0.0000 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9768 -5.6522 -5.6520 -5.0807 -5.0663 -3.1680 -3.1419 -3.0424 -2.9071 -2.5283 -2.4678 -2.4419 -2.4351 -2.2247 -2.1912 1.4642 1.5787 3.1562 3.3256 3.5683 3.5973 3.8579 3.8836 4.3017 4.3712 4.4592 4.5762 6.2013 6.2063 6.4126 6.4186 7.1340 7.2124 7.2370 7.3071 7.6127 7.7423 8.5420 8.5544 k = 0.1000 0.1000-0.0000 ( 4905 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9768 -5.6648 -5.6646 -5.0803 -5.0670 -3.1690 -3.1457 -3.0396 -2.9139 -2.5257 -2.4688 -2.4451 -2.4385 -2.2261 -2.1963 1.4589 1.5615 3.1969 3.3488 3.5883 3.6137 3.9016 3.9350 4.3431 4.4011 4.4869 4.5942 6.1973 6.2017 6.3984 6.4003 7.1579 7.2306 7.2537 7.3288 7.6513 7.7798 8.4591 8.4685 k = 0.0900 0.0900-0.0000 ( 4903 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9770 -35.9769 -5.6764 -5.6762 -5.0799 -5.0678 -3.1699 -3.1492 -3.0362 -2.9209 -2.5227 -2.4697 -2.4486 -2.4417 -2.2273 -2.2010 1.4539 1.5451 3.2351 3.3697 3.6075 3.6298 3.9417 3.9814 4.3859 4.4295 4.5171 4.6110 6.1904 6.1937 6.3836 6.3849 7.1797 7.2488 7.2703 7.3448 7.6897 7.8145 8.3808 8.3872 k = 0.0800 0.0800-0.0000 ( 4905 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0472 -36.0472 -35.9770 -35.9769 -5.6868 -5.6866 -5.0794 -5.0685 -3.1706 -3.1525 -3.0323 -2.9280 -2.5193 -2.4703 -2.4521 -2.4448 -2.2284 -2.2055 1.4495 1.5296 3.2704 3.3881 3.6257 3.6454 3.9781 4.0220 4.4292 4.4568 4.5489 4.6265 6.1801 6.1819 6.3695 6.3729 7.1995 7.2669 7.2867 7.3554 7.7270 7.8456 8.3080 8.3114 k = 0.0700 0.0700-0.0000 ( 4901 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.6961 -5.6960 -5.0789 -5.0692 -3.1712 -3.1555 -3.0279 -2.9353 -2.5155 -2.4706 -2.4556 -2.4480 -2.2292 -2.2096 1.4458 1.5152 3.3026 3.4038 3.6428 3.6600 4.0107 4.0563 4.4719 4.4832 4.5812 4.6407 6.1665 6.1668 6.3585 6.3629 7.2174 7.2847 7.3026 7.3609 7.7622 7.8725 8.2417 8.2422 k = 0.0600 0.0600-0.0000 ( 4889 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7043 -5.7041 -5.0783 -5.0700 -3.1715 -3.1582 -3.0230 -2.9426 -2.5114 -2.4708 -2.4591 -2.4512 -2.2298 -2.2133 1.4429 1.5018 3.3315 3.4168 3.6585 3.6735 4.0395 4.0842 4.5087 4.5124 4.6130 4.6537 6.1485 6.1508 6.3505 6.3550 7.2338 7.3020 7.3179 7.3620 7.7940 7.8940 8.1810 8.1830 k = 0.0500 0.0500-0.0000 ( 4897 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7112 -5.7111 -5.0777 -5.0708 -3.1717 -3.1607 -3.0177 -2.9500 -2.5072 -2.4707 -2.4628 -2.4544 -2.2302 -2.2167 1.4410 1.4897 3.3569 3.4269 3.6726 3.6853 4.0646 4.1059 4.5329 4.5490 4.6428 4.6659 6.1294 6.1332 6.3449 6.3491 7.2487 7.3181 7.3324 7.3600 7.8213 7.9086 8.1296 8.1333 k = 0.0400 0.0400-0.0000 ( 4895 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7169 -5.7168 -5.0771 -5.0715 -3.1716 -3.1629 -3.0121 -2.9574 -2.5027 -2.4704 -2.4666 -2.4573 -2.2303 -2.2197 1.4402 1.4789 3.3788 3.4340 3.6849 3.6952 4.0860 4.1217 4.5552 4.5791 4.6693 4.6779 6.1109 6.1156 6.3414 6.3448 7.2625 7.3312 7.3456 7.3566 7.8426 7.9144 8.0904 8.0941 k = 0.0300 0.0300-0.0000 ( 4899 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7213 -5.7213 -5.0765 -5.0722 -3.1714 -3.1648 -3.0061 -2.9648 -2.4981 -2.4706 -2.4697 -2.4601 -2.2302 -2.2223 1.4405 1.4694 3.3973 3.4382 3.6951 3.7030 4.1038 4.1321 4.5750 4.6006 4.6905 4.6912 6.0947 6.0994 6.3392 6.3418 7.2753 7.3358 7.3570 7.3577 7.8572 7.9109 8.0648 8.0666 k = 0.0200 0.0200-0.0000 ( 4895 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9769 -5.7245 -5.7245 -5.0758 -5.0730 -3.1708 -3.1665 -2.9997 -2.9721 -2.4934 -2.4748 -2.4689 -2.4625 -2.2297 -2.2245 1.4420 1.4612 3.4123 3.4393 3.7029 3.7083 4.1180 4.1376 4.5917 4.6126 4.7029 4.7071 6.0824 6.0861 6.3380 6.3397 7.2874 7.3302 7.3646 7.3660 7.8660 7.9005 8.0504 8.0509 k = 0.0100 0.0100-0.0000 ( 4891 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7264 -5.7264 -5.0751 -5.0737 -3.1701 -3.1679 -2.9931 -2.9793 -2.4886 -2.4793 -2.4677 -2.4645 -2.2289 -2.2263 1.4448 1.4544 3.4239 3.4373 3.7083 3.7110 4.1286 4.1386 4.6046 4.6162 4.7129 4.7161 6.0750 6.0771 6.3376 6.3385 7.2991 7.3209 7.3707 7.3716 7.8719 7.8884 8.0433 8.0444 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7270 -5.7270 -5.0744 -5.0744 -3.1691 -3.1691 -2.9863 -2.9863 -2.4839 -2.4839 -2.4663 -2.4663 -2.2278 -2.2278 1.4490 1.4490 3.4322 3.4322 3.7110 3.7110 4.1356 4.1356 4.6131 4.6131 4.7178 4.7178 6.0732 6.0732 6.3378 6.3378 7.3103 7.3103 7.3732 7.3732 7.8786 7.8786 8.0420 8.0420 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7270 -5.7270 -5.0744 -5.0744 -3.1691 -3.1691 -2.9863 -2.9863 -2.4839 -2.4839 -2.4663 -2.4663 -2.2278 -2.2278 1.4490 1.4490 3.4322 3.4322 3.7110 3.7110 4.1356 4.1356 4.6131 4.6131 4.7178 4.7178 6.0732 6.0732 6.3378 6.3378 7.3103 7.3103 7.3732 7.3732 7.8786 7.8786 8.0420 8.0420 k = 0.0000 0.0000 0.0141 ( 4883 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9769 -35.9769 -5.7264 -5.7264 -5.0751 -5.0751 -3.1691 -3.1691 -2.9864 -2.9864 -2.4840 -2.4840 -2.4661 -2.4661 -2.2282 -2.2282 1.4511 1.4511 3.4323 3.4323 3.7108 3.7108 4.1340 4.1340 4.6120 4.6120 4.7185 4.7185 6.0746 6.0746 6.3378 6.3378 7.2698 7.2698 7.4164 7.4164 7.8777 7.8777 8.0387 8.0387 k = 0.0000 0.0000 0.0281 ( 4899 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.7245 -5.7245 -5.0769 -5.0769 -3.1692 -3.1692 -2.9870 -2.9870 -2.4845 -2.4845 -2.4660 -2.4660 -2.2296 -2.2296 1.4574 1.4574 3.4326 3.4326 3.7104 3.7104 4.1292 4.1292 4.6089 4.6089 4.7205 4.7205 6.0785 6.0785 6.3377 6.3377 7.2118 7.2118 7.4821 7.4821 7.8755 7.8755 8.0288 8.0288 k = 0.0000 0.0000 0.0422 ( 4903 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.7214 -5.7214 -5.0801 -5.0801 -3.1692 -3.1692 -2.9878 -2.9878 -2.4852 -2.4852 -2.4657 -2.4657 -2.2319 -2.2319 1.4679 1.4679 3.4331 3.4331 3.7096 3.7096 4.1211 4.1211 4.6041 4.6041 4.7239 4.7239 6.0850 6.0850 6.3377 6.3377 7.1555 7.1555 7.5490 7.5490 7.8740 7.8740 8.0126 8.0126 k = 0.0000 0.0000 0.0562 ( 4907 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.7170 -5.7170 -5.0845 -5.0845 -3.1692 -3.1692 -2.9889 -2.9889 -2.4861 -2.4861 -2.4652 -2.4652 -2.2349 -2.2349 1.4824 1.4824 3.4337 3.4337 3.7084 3.7084 4.1096 4.1096 4.5978 4.5978 4.7285 4.7285 6.0940 6.0940 6.3377 6.3377 7.1028 7.1028 7.6109 7.6109 7.8776 7.8776 7.9907 7.9907 k = 0.0000 0.0000 0.0703 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.7114 -5.7114 -5.0901 -5.0901 -3.1692 -3.1692 -2.9903 -2.9903 -2.4873 -2.4873 -2.4647 -2.4647 -2.2387 -2.2387 1.5009 1.5009 3.4345 3.4345 3.7069 3.7069 4.0944 4.0944 4.5907 4.5907 4.7344 4.7344 6.1054 6.1054 6.3377 6.3377 7.0541 7.0541 7.6586 7.6586 7.8947 7.8947 7.9635 7.9635 k = 0.0000 0.0000 0.0844 ( 4919 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.7046 -5.7046 -5.0969 -5.0969 -3.1692 -3.1692 -2.9920 -2.9920 -2.4886 -2.4886 -2.4641 -2.4641 -2.2431 -2.2431 1.5231 1.5231 3.4355 3.4355 3.7050 3.7050 4.0756 4.0756 4.5833 4.5833 4.7414 4.7414 6.1188 6.1188 6.3377 6.3377 7.0097 7.0097 7.6828 7.6828 7.9309 7.9309 7.9357 7.9357 k = 0.0000 0.0000 0.0984 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.6967 -5.6967 -5.1050 -5.1050 -3.1691 -3.1691 -2.9939 -2.9939 -2.4900 -2.4900 -2.4634 -2.4634 -2.2481 -2.2481 1.5488 1.5488 3.4366 3.4366 3.7024 3.7024 4.0529 4.0529 4.5759 4.5759 4.7495 4.7495 6.1342 6.1342 6.3377 6.3377 6.9696 6.9696 7.6843 7.6843 7.8963 7.8963 7.9966 7.9966 k = 0.0000 0.0000 0.1125 ( 4915 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.6875 -5.6875 -5.1142 -5.1142 -3.1691 -3.1691 -2.9961 -2.9961 -2.4916 -2.4916 -2.4627 -2.4627 -2.2535 -2.2535 1.5779 1.5779 3.4377 3.4377 3.6992 3.6992 4.0267 4.0267 4.5692 4.5692 4.7586 4.7586 6.1512 6.1512 6.3377 6.3377 6.9338 6.9338 7.6715 7.6715 7.8579 7.8579 8.0715 8.0715 k = 0.0000 0.0000 0.1265 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.6773 -5.6773 -5.1245 -5.1245 -3.1690 -3.1690 -2.9985 -2.9985 -2.4933 -2.4933 -2.4619 -2.4619 -2.2593 -2.2593 1.6100 1.6100 3.4390 3.4390 3.6951 3.6951 3.9972 3.9972 4.5633 4.5633 4.7686 4.7686 6.1695 6.1695 6.3377 6.3377 6.9021 6.9021 7.6507 7.6507 7.8172 7.8172 8.1529 8.1529 k = 0.0000 0.0000 0.1406 ( 4911 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.6659 -5.6659 -5.1359 -5.1359 -3.1689 -3.1689 -3.0011 -3.0011 -2.4951 -2.4951 -2.4612 -2.4612 -2.2652 -2.2652 1.6448 1.6448 3.4403 3.4403 3.6897 3.6897 3.9651 3.9651 4.5586 4.5586 4.7793 4.7793 6.1890 6.1890 6.3378 6.3378 6.8745 6.8745 7.6255 7.6255 7.7750 7.7750 8.2371 8.2371 k = 0.0000 0.0000 0.1547 ( 4927 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.6536 -5.6536 -5.1484 -5.1484 -3.1689 -3.1689 -3.0038 -3.0038 -2.4970 -2.4970 -2.4606 -2.4606 -2.2713 -2.2713 1.6821 1.6821 3.4416 3.4416 3.6825 3.6825 3.9313 3.9313 4.5550 4.5550 4.7905 4.7905 6.2091 6.2091 6.3378 6.3378 6.8506 6.8506 7.5978 7.5978 7.7320 7.7320 8.3216 8.3216 k = 0.0000 0.0000 0.1687 ( 4931 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.6402 -5.6402 -5.1619 -5.1619 -3.1689 -3.1689 -3.0066 -3.0066 -2.4989 -2.4989 -2.4599 -2.4599 -2.2774 -2.2774 1.7213 1.7213 3.4429 3.4429 3.6728 3.6728 3.8971 3.8971 4.5527 4.5527 4.8023 4.8023 6.2295 6.2295 6.3378 6.3378 6.8305 6.8305 7.5688 7.5688 7.6888 7.6888 8.4048 8.4048 k = 0.0000 0.0000 0.1828 ( 4939 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0472 -36.0472 -35.9770 -35.9770 -5.6258 -5.6258 -5.1764 -5.1764 -3.1688 -3.1688 -3.0095 -3.0095 -2.5008 -2.5008 -2.4593 -2.4593 -2.2833 -2.2833 1.7622 1.7622 3.4441 3.4441 3.6593 3.6593 3.8644 3.8644 4.5514 4.5514 4.8143 4.8143 6.2500 6.2500 6.3379 6.3379 6.8138 6.8138 7.5395 7.5395 7.6462 7.6462 8.4850 8.4850 k = 0.0000 0.0000 0.1968 ( 4927 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.6106 -5.6106 -5.1918 -5.1918 -3.1687 -3.1687 -3.0124 -3.0124 -2.5026 -2.5026 -2.4586 -2.4586 -2.2890 -2.2890 1.8043 1.8043 3.4452 3.4452 3.6410 3.6410 3.8350 3.8350 4.5511 4.5511 4.8264 4.8264 6.2699 6.2699 6.3382 6.3382 6.8004 6.8004 7.5105 7.5105 7.6046 7.6046 8.5607 8.5607 k = 0.0000 0.0000 0.2109 ( 4943 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.5945 -5.5945 -5.2081 -5.2081 -3.1687 -3.1687 -3.0152 -3.0152 -2.5045 -2.5045 -2.4582 -2.4582 -2.2944 -2.2944 1.8469 1.8469 3.4459 3.4459 3.6170 3.6170 3.8107 3.8107 4.5516 4.5516 4.8383 4.8383 6.2889 6.2889 6.3386 6.3386 6.7900 6.7900 7.4823 7.4823 7.5646 7.5646 8.6306 8.6306 k = 0.0000 0.0000 0.2250 ( 4927 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.5776 -5.5776 -5.2251 -5.2251 -3.1685 -3.1685 -3.0179 -3.0179 -2.5062 -2.5062 -2.4575 -2.4575 -2.2995 -2.2995 1.8897 1.8897 3.4462 3.4462 3.5877 3.5877 3.7919 3.7919 4.5528 4.5528 4.8501 4.8501 6.3064 6.3064 6.3395 6.3395 6.7824 6.7824 7.4555 7.4555 7.5268 7.5268 8.6934 8.6934 k = 0.0000 0.0000 0.2390 ( 4918 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.5601 -5.5601 -5.2428 -5.2428 -3.1683 -3.1683 -3.0205 -3.0205 -2.5079 -2.5079 -2.4570 -2.4570 -2.3041 -2.3041 1.9318 1.9318 3.4457 3.4457 3.5549 3.5549 3.7782 3.7782 4.5544 4.5544 4.8613 4.8613 6.3211 6.3211 6.3417 6.3417 6.7771 6.7771 7.4306 7.4306 7.4915 7.4915 8.7482 8.7482 k = 0.0000 0.0000 0.2531 ( 4922 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0408 -36.0471 -36.0471 -35.9770 -35.9770 -5.5418 -5.5418 -5.2612 -5.2612 -3.1682 -3.1682 -3.0230 -3.0230 -2.5095 -2.5095 -2.4566 -2.4566 -2.3083 -2.3083 1.9725 1.9725 3.4431 3.4431 3.5219 3.5219 3.7684 3.7684 4.5562 4.5562 4.8718 4.8718 6.3301 6.3301 6.3479 6.3479 6.7740 6.7740 7.4077 7.4077 7.4591 7.4591 8.7946 8.7946 k = 0.0000 0.0000 0.2671 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.5230 -5.5230 -5.2802 -5.2802 -3.1681 -3.1681 -3.0251 -3.0251 -2.5108 -2.5108 -2.4562 -2.4562 -2.3119 -2.3119 2.0111 2.0111 3.4356 3.4356 3.4936 3.4936 3.7613 3.7613 4.5582 4.5582 4.8814 4.8814 6.3334 6.3334 6.3580 6.3580 6.7725 6.7725 7.3874 7.3874 7.4301 7.4301 8.8330 8.8330 k = 0.0000 0.0000 0.2812 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.5037 -5.5037 -5.2996 -5.2996 -3.1680 -3.1680 -3.0270 -3.0270 -2.5120 -2.5120 -2.4558 -2.4558 -2.3150 -2.3150 2.0464 2.0464 3.4188 3.4188 3.4764 3.4764 3.7562 3.7562 4.5601 4.5601 4.8899 4.8899 6.3346 6.3346 6.3683 6.3683 6.7723 6.7723 7.3700 7.3700 7.4047 7.4047 8.8648 8.8648 k = 0.0000 0.0000 0.2953 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4839 -5.4839 -5.3195 -5.3195 -3.1679 -3.1679 -3.0286 -3.0286 -2.5131 -2.5131 -2.4555 -2.4555 -2.3176 -2.3176 2.0775 2.0775 3.3952 3.3952 3.4692 3.4692 3.7526 3.7526 4.5619 4.5619 4.8971 4.8971 6.3351 6.3351 6.3771 6.3771 6.7729 6.7729 7.3557 7.3557 7.3832 7.3832 8.8912 8.8912 k = 0.0000 0.0000 0.3093 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4639 -5.4639 -5.3396 -5.3396 -3.1678 -3.1678 -3.0299 -3.0299 -2.5139 -2.5139 -2.4552 -2.4552 -2.3196 -2.3196 2.1032 2.1032 3.3722 3.3722 3.4665 3.4665 3.7500 3.7500 4.5633 4.5633 4.9029 4.9029 6.3354 6.3354 6.3840 6.3840 6.7739 6.7739 7.3446 7.3446 7.3660 7.3660 8.9139 8.9139 k = 0.0000 0.0000 0.3234 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4437 -5.4437 -5.3599 -5.3599 -3.1678 -3.1678 -3.0309 -3.0309 -2.5145 -2.5145 -2.4552 -2.4552 -2.3211 -2.3211 2.1226 2.1226 3.3538 3.3538 3.4654 3.4654 3.7483 3.7483 4.5645 4.5645 4.9071 4.9071 6.3355 6.3355 6.3890 6.3890 6.7749 6.7749 7.3370 7.3370 7.3531 7.3531 8.9337 8.9337 k = 0.0000 0.0000 0.3374 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4236 -5.4236 -5.3800 -5.3800 -3.1677 -3.1677 -3.0314 -3.0314 -2.5149 -2.5149 -2.4551 -2.4551 -2.3219 -2.3219 2.1346 2.1346 3.3420 3.3420 3.4649 3.4649 3.7473 3.7473 4.5652 4.5652 4.9097 4.9097 6.3356 6.3356 6.3920 6.3920 6.7757 6.7757 7.3327 7.3327 7.3450 7.3450 8.9510 8.9510 k = 0.0000 0.0000 0.3515 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4086 -5.4086 -5.3951 -5.3951 -3.1678 -3.1678 -3.0316 -3.0316 -2.5150 -2.5150 -2.4550 -2.4550 -2.3222 -2.3222 2.1387 2.1387 3.3380 3.3380 3.4648 3.4648 3.7470 3.7470 4.5654 4.5654 4.9105 4.9105 6.3356 6.3356 6.3929 6.3929 6.7760 6.7760 7.3313 7.3313 7.3422 7.3422 8.9612 8.9612 k = 0.0000 0.0000 0.3515 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4086 -5.4086 -5.3951 -5.3951 -3.1678 -3.1678 -3.0316 -3.0316 -2.5150 -2.5150 -2.4550 -2.4550 -2.3222 -2.3222 2.1387 2.1387 3.3380 3.3380 3.4648 3.4648 3.7470 3.7470 4.5654 4.5654 4.9105 4.9105 6.3356 6.3356 6.3929 6.3929 6.7760 6.7760 7.3313 7.3313 7.3422 7.3422 8.9612 8.9612 k = 0.0000 0.0139 0.3515 ( 4886 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4082 -5.4082 -5.3952 -5.3943 -3.1681 -3.1672 -3.0367 -3.0262 -2.5198 -2.5100 -2.4556 -2.4541 -2.3225 -2.3217 2.1329 2.1420 3.3182 3.3372 3.4675 3.4754 3.7325 3.7639 4.5549 4.5726 4.9053 4.9115 6.3359 6.3361 6.3902 6.3953 6.7761 6.7766 7.3300 7.3314 7.3413 7.3418 8.9520 8.9715 k = 0.0000 0.0278 0.3515 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.4072 -5.4071 -5.3947 -5.3929 -3.1682 -3.1663 -3.0416 -3.0205 -2.5243 -2.5048 -2.4560 -2.4531 -2.3225 -2.3210 2.1247 2.1429 3.2857 3.3153 3.4837 3.4919 3.7205 3.7825 4.5410 4.5765 4.8959 4.9083 6.3369 6.3371 6.3869 6.3971 6.7768 6.7778 7.3269 7.3293 7.3400 7.3406 8.9460 8.9726 k = 0.0000 0.0417 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.4054 -5.4052 -5.3936 -5.3909 -3.1680 -3.1651 -3.0460 -3.0143 -2.5284 -2.4996 -2.4560 -2.4517 -2.3221 -2.3200 2.1140 2.1414 3.2459 3.2793 3.5062 3.5095 3.7114 3.8026 4.5237 4.5770 4.8830 4.9015 6.3388 6.3388 6.3834 6.3982 6.7782 6.7798 7.3210 7.3239 7.3400 7.3401 8.9409 8.9741 k = 0.0000 0.0556 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.4029 -5.4027 -5.3919 -5.3883 -3.1677 -3.1635 -3.0501 -3.0078 -2.5321 -2.4945 -2.4555 -2.4501 -2.3213 -2.3188 2.1007 2.1374 3.2010 3.2342 3.5267 3.5303 3.7052 3.8235 4.5031 4.5740 4.8673 4.8918 6.3409 6.3415 6.3796 6.3985 6.7801 6.7824 7.3125 7.3156 7.3404 7.3414 8.9356 8.9754 k = 0.0000 0.0694 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.3998 -5.3995 -5.3895 -5.3852 -3.1672 -3.1615 -3.0538 -3.0010 -2.5353 -2.4897 -2.4544 -2.4483 -2.3200 -2.3174 2.0847 2.1307 3.1520 3.1822 3.5434 3.5542 3.7017 3.8449 4.4792 4.5676 4.8500 4.8800 6.3429 6.3449 6.3757 6.3977 6.7823 6.7854 7.3019 7.3057 7.3416 7.3434 8.9294 8.9758 k = 0.0000 0.0833 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.3960 -5.3956 -5.3866 -5.3815 -3.1665 -3.1591 -3.0573 -2.9940 -2.5381 -2.4856 -2.4527 -2.4463 -2.3182 -2.3158 2.0659 2.1213 3.0994 3.1243 3.5595 3.5771 3.7008 3.8666 4.4525 4.5576 4.8322 4.8670 6.3439 6.3490 6.3725 6.3957 6.7848 6.7888 7.2900 7.2947 7.3434 7.3459 8.9219 8.9747 k = 0.0000 0.0972 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9770 -5.3917 -5.3910 -5.3829 -5.3772 -3.1657 -3.1561 -3.0606 -2.9866 -2.5403 -2.4821 -2.4502 -2.4440 -2.3157 -2.3141 2.0442 2.1091 3.0435 3.0617 3.5753 3.5988 3.7024 3.8884 4.4232 4.5442 4.8148 4.8534 6.3426 6.3536 6.3711 6.3923 6.7877 6.7927 7.2776 7.2833 7.3457 7.3488 8.9127 8.9716 k = 0.0000 0.1111 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9770 -5.3869 -5.3859 -5.3786 -5.3725 -3.1648 -3.1527 -3.0635 -2.9790 -2.5420 -2.4795 -2.4469 -2.4414 -2.3126 -2.3121 2.0195 2.0937 2.9848 2.9949 3.5909 3.6190 3.7062 3.9102 4.3920 4.5280 4.7987 4.8398 6.3379 6.3588 6.3725 6.3874 6.7910 6.7971 7.2651 7.2721 7.3486 7.3522 8.9013 8.9661 k = 0.0000 0.1250 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9770 -5.3818 -5.3802 -5.3736 -5.3673 -3.1638 -3.1488 -3.0662 -2.9712 -2.5432 -2.4775 -2.4430 -2.4386 -2.3100 -2.3087 1.9915 2.0751 2.9236 2.9249 3.6065 3.6376 3.7123 3.9321 4.3595 4.5095 4.7841 4.8266 6.3302 6.3641 6.3761 6.3813 6.7948 6.8021 7.2529 7.2612 7.3519 7.3559 8.8875 8.9580 k = 0.0000 0.1389 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9769 -5.3763 -5.3739 -5.3679 -5.3616 -3.1626 -3.1443 -3.0686 -2.9633 -2.5439 -2.4761 -2.4388 -2.4355 -2.3077 -2.3040 1.9603 2.0530 2.8523 2.8604 3.6223 3.6545 3.7205 3.9540 4.3264 4.4898 4.7713 4.8139 6.3205 6.3672 6.3764 6.3812 6.7991 6.8079 7.2411 7.2508 7.3556 7.3601 8.8709 8.9468 k = 0.0000 0.1528 0.3515 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9769 -5.3705 -5.3673 -5.3616 -5.3556 -3.1614 -3.1392 -3.0707 -2.9552 -2.5439 -2.4752 -2.4344 -2.4320 -2.3052 -2.2984 1.9257 2.0272 2.7781 2.7956 3.6381 3.6697 3.7307 3.9760 4.2936 4.4698 4.7600 4.8020 6.3092 6.3609 6.3799 6.3872 6.8041 6.8144 7.2301 7.2411 7.3598 7.3647 8.8514 8.9325 k = 0.0000 0.1667 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0408 -36.0473 -36.0473 -35.9771 -35.9769 -5.3645 -5.3602 -5.3547 -5.3492 -3.1600 -3.1337 -3.0727 -2.9472 -2.5436 -2.4745 -2.4301 -2.4281 -2.3027 -2.2921 1.8878 1.9975 2.7029 2.7298 3.6542 3.6832 3.7427 3.9980 4.2615 4.4505 4.7500 4.7908 6.2970 6.3506 6.3865 6.3937 6.8098 6.8216 7.2197 7.2319 7.3643 7.3696 8.8287 8.9147 k = 0.0000 0.1806 0.3515 ( 4914 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0473 -36.0473 -35.9771 -35.9769 -5.3583 -5.3527 -5.3473 -5.3425 -3.1586 -3.1276 -3.0744 -2.9391 -2.5427 -2.4740 -2.4259 -2.4239 -2.2999 -2.2849 1.8465 1.9636 2.6277 2.6635 3.6703 3.6952 3.7560 4.0200 4.2310 4.4329 4.7411 4.7803 6.2841 6.3391 6.3937 6.4006 6.8162 6.8295 7.2100 7.2234 7.3693 7.3749 8.8028 8.8933 k = 0.0000 0.1944 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0473 -36.0473 -35.9772 -35.9769 -5.3519 -5.3450 -5.3394 -5.3355 -3.1571 -3.1212 -3.0758 -2.9313 -2.5414 -2.4737 -2.4220 -2.4193 -2.2969 -2.2771 1.8020 1.9255 2.5533 2.5971 3.6865 3.7062 3.7703 4.0420 4.2025 4.4174 4.7332 4.7704 6.2710 6.3270 6.4013 6.4078 6.8232 6.8379 7.2011 7.2153 7.3746 7.3806 8.7735 8.8681 k = 0.0000 0.2083 0.3515 ( 4914 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9772 -35.9769 -5.3453 -5.3371 -5.3312 -5.3282 -3.1555 -3.1144 -3.0767 -2.9235 -2.5397 -2.4735 -2.4182 -2.4142 -2.2938 -2.2685 1.7545 1.8830 2.4804 2.5311 3.7027 3.7161 3.7855 4.0639 4.1765 4.4045 4.7259 4.7613 6.2581 6.3147 6.4090 6.4151 6.8306 6.8466 7.1929 7.2077 7.3803 7.3866 8.7410 8.8392 k = 0.0000 0.2222 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.3385 -5.3290 -5.3228 -5.3208 -3.1538 -3.1076 -3.0768 -2.9160 -2.5375 -2.4733 -2.4145 -2.4086 -2.2903 -2.2592 1.7043 1.8362 2.4097 2.4659 3.7188 3.7253 3.8012 4.0851 4.1537 4.3946 4.7193 4.7528 6.2457 6.3027 6.4169 6.4226 6.8383 6.8554 7.1855 7.2006 7.3863 7.3930 8.7053 8.8066 k = 0.0000 0.2361 0.3515 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.3316 -5.3210 -5.3141 -5.3131 -3.1521 -3.1015 -3.0758 -2.9089 -2.5351 -2.4732 -2.4111 -2.4027 -2.2868 -2.2496 1.6517 1.7853 2.3418 2.4020 3.7339 3.7345 3.8173 4.1038 4.1363 4.3875 4.7132 4.7448 6.2341 6.2913 6.4247 6.4300 6.8459 6.8636 7.1789 7.1938 7.3927 7.3997 8.6667 8.7705 k = 0.0000 0.2500 0.3515 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0474 -35.9771 -35.9769 -5.3246 -5.3129 -5.3054 -5.3053 -3.1503 -3.0970 -3.0725 -2.9022 -2.5324 -2.4732 -2.4078 -2.3962 -2.2831 -2.2397 1.5972 1.7306 2.2770 2.3395 3.7420 3.7498 3.8338 4.1066 4.1376 4.3832 4.7075 4.7375 6.2238 6.2810 6.4324 6.4373 6.8532 6.8710 7.1733 7.1874 7.3992 7.4066 8.6254 8.7310 k = 0.0000 0.2639 0.3515 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0475 -36.0475 -35.9771 -35.9769 -5.3176 -5.3050 -5.2974 -5.2966 -3.1484 -3.0946 -3.0664 -2.8959 -2.5294 -2.4733 -2.4044 -2.3893 -2.2790 -2.2294 1.5413 1.6728 2.2156 2.2788 3.7497 3.7645 3.8506 4.0955 4.1555 4.3813 4.7024 4.7307 6.2150 6.2719 6.4401 6.4445 6.8598 6.8770 7.1690 7.1817 7.4061 7.4138 8.5819 8.6886 k = 0.0000 0.2778 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0475 -36.0475 -35.9771 -35.9769 -5.3106 -5.2974 -5.2894 -5.2879 -3.1466 -3.0939 -3.0582 -2.8902 -2.5264 -2.4734 -2.4011 -2.3821 -2.2747 -2.2192 1.4845 1.6125 2.1576 2.2202 3.7572 3.7784 3.8676 4.0850 4.1756 4.3815 4.6977 4.7244 6.2080 6.2645 6.4475 6.4514 6.8652 6.8811 7.1661 7.1766 7.4131 7.4213 8.5366 8.6437 k = 0.0000 0.2917 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0475 -36.0475 -35.9771 -35.9769 -5.3037 -5.2900 -5.2814 -5.2794 -3.1446 -3.0942 -3.0487 -2.8851 -2.5233 -2.4736 -2.3977 -2.3746 -2.2701 -2.2089 1.4275 1.5506 2.1032 2.1638 3.7645 3.7914 3.8848 4.0769 4.1955 4.3834 4.6935 4.7187 6.2031 6.2590 6.4547 6.4581 6.8690 6.8826 7.1650 7.1725 7.4202 7.4288 8.4900 8.5967 k = 0.0000 0.3056 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.2968 -5.2830 -5.2735 -5.2710 -3.1427 -3.0949 -3.0383 -2.8805 -2.5201 -2.4739 -2.3942 -2.3671 -2.2649 -2.1989 1.3709 1.4879 2.0520 2.1098 3.7718 3.8033 3.9020 4.0715 4.2148 4.3864 4.6898 4.7136 6.2005 6.2556 6.4617 6.4645 6.8706 6.8812 7.1659 7.1696 7.4275 7.4365 8.4427 8.5483 k = 0.0000 0.3194 0.3515 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.2901 -5.2763 -5.2657 -5.2628 -3.1407 -3.0958 -3.0274 -2.8767 -2.5169 -2.4743 -2.3905 -2.3596 -2.2593 -2.1893 1.3154 1.4254 2.0042 2.0585 3.7792 3.8141 3.9192 4.0687 4.2333 4.3901 4.6867 4.7090 6.2004 6.2545 6.4683 6.4705 6.8696 6.8763 7.1682 7.1690 7.4348 7.4443 8.3952 8.4989 k = 0.0000 0.3333 0.3515 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0409 -36.0476 -36.0476 -35.9771 -35.9769 -5.2836 -5.2700 -5.2581 -5.2551 -3.1387 -3.0969 -3.0163 -2.8736 -2.5138 -2.4747 -2.3867 -2.3524 -2.2530 -2.1802 1.2614 1.3639 1.9596 2.0099 3.7867 3.8238 3.9362 4.0680 4.2509 4.3940 4.6842 4.7050 6.2029 6.2558 6.4745 6.4761 6.8655 6.8679 7.1685 7.1740 7.4421 7.4520 8.3483 8.4492 k = 0.0000 0.3472 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9772 -35.9769 -5.2773 -5.2642 -5.2508 -5.2477 -3.1367 -3.0981 -3.0049 -2.8712 -2.5108 -2.4752 -2.3827 -2.3459 -2.2460 -2.1718 1.2097 1.3042 1.9182 1.9642 3.7943 3.8322 3.9530 4.0692 4.2673 4.3978 4.6823 4.7015 6.2081 6.2595 6.4804 6.4813 6.8559 6.8581 7.1708 7.1810 7.4494 7.4596 8.3024 8.3998 k = 0.0000 0.3611 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.2713 -5.2588 -5.2439 -5.2407 -3.1346 -3.0994 -2.9935 -2.8696 -2.5079 -2.4758 -2.3785 -2.3400 -2.2383 -2.1640 1.1607 1.2469 1.8800 1.9217 3.8019 3.8396 3.9694 4.0719 4.2826 4.4011 4.6809 4.6985 6.2160 6.2658 6.4858 6.4860 6.8407 6.8473 7.1749 7.1894 7.4565 7.4670 8.2582 8.3512 k = 0.0000 0.3750 0.3515 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9772 -35.9770 -5.2657 -5.2539 -5.2374 -5.2343 -3.1326 -3.1007 -2.9821 -2.8687 -2.5051 -2.4764 -2.3741 -2.3351 -2.2298 -2.1572 1.1151 1.1928 1.8452 1.8824 3.8095 3.8459 3.9852 4.0754 4.2968 4.4037 4.6801 4.6960 6.2266 6.2745 6.4903 6.4908 6.8226 6.8333 7.1807 7.1988 7.4635 7.4741 8.2164 8.3041 k = 0.0000 0.3889 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0410 -36.0477 -36.0477 -35.9771 -35.9770 -5.2604 -5.2495 -5.2314 -5.2284 -3.1305 -3.1020 -2.9708 -2.8686 -2.5024 -2.4771 -2.3696 -2.3312 -2.2207 -2.1514 1.0733 1.1424 1.8138 1.8465 3.8170 3.8512 4.0005 4.0794 4.3099 4.4053 4.6798 4.6939 6.2398 6.2855 6.4940 6.4953 6.8022 6.8164 7.1881 7.2087 7.4702 7.4809 8.1775 8.2591 k = 0.0000 0.4028 0.3515 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0477 -36.0477 -35.9771 -35.9770 -5.2555 -5.2457 -5.2259 -5.2232 -3.1284 -3.1034 -2.9599 -2.8694 -2.4998 -2.4779 -2.3650 -2.3285 -2.2112 -2.1468 1.0358 1.0962 1.7859 1.8143 3.8243 3.8556 4.0149 4.0834 4.3218 4.4059 4.6799 4.6922 6.2553 6.2984 6.4972 6.4993 6.7799 6.7971 7.1964 7.2185 7.4767 7.4871 8.1422 8.2166 k = 0.0000 0.4167 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0477 -35.9771 -35.9770 -5.2511 -5.2425 -5.2211 -5.2186 -3.1264 -3.1049 -2.9492 -2.8709 -2.4974 -2.4787 -2.3602 -2.3267 -2.2014 -2.1434 1.0029 1.0547 1.7616 1.7857 3.8313 3.8590 4.0285 4.0870 4.3328 4.4054 4.6803 4.6908 6.2728 6.3127 6.5000 6.5028 6.7567 6.7759 7.2054 7.2278 7.4828 7.4927 8.1110 8.1773 k = 0.0000 0.4306 0.3515 ( 4910 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2472 -5.2398 -5.2168 -5.2147 -3.1244 -3.1064 -2.9391 -2.8732 -2.4952 -2.4797 -2.3556 -2.3260 -2.1916 -2.1413 0.9751 1.0182 1.7411 1.7611 3.8378 3.8616 4.0410 4.0897 4.3428 4.4039 4.6809 4.6897 6.2917 6.3278 6.5022 6.5057 6.7334 6.7538 7.2146 7.2359 7.4885 7.4975 8.0844 8.1417 k = 0.0000 0.4444 0.3515 ( 4922 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9771 -5.2438 -5.2378 -5.2133 -5.2115 -3.1225 -3.1081 -2.9294 -2.8764 -2.4932 -2.4808 -2.3510 -2.3263 -2.1822 -2.1406 0.9527 0.9871 1.7245 1.7403 3.8439 3.8632 4.0523 4.0914 4.3520 4.4013 4.6818 4.6887 6.3113 6.3426 6.5040 6.5080 6.7114 6.7316 7.2236 7.2426 7.4937 7.5015 8.0631 8.1104 k = 0.0000 0.4583 0.3515 ( 4926 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9771 -5.2409 -5.2364 -5.2104 -5.2090 -3.1205 -3.1097 -2.9203 -2.8804 -2.4912 -2.4820 -2.3465 -2.3273 -2.1733 -2.1413 0.9359 0.9617 1.7119 1.7237 3.8492 3.8640 4.0624 4.0919 4.3606 4.3977 4.6827 4.6878 6.3304 6.3559 6.5054 6.5094 6.6922 6.7105 7.2319 7.2474 7.4982 7.5044 8.0475 8.0838 k = 0.0000 0.4722 0.3515 ( 4932 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2387 -5.2356 -5.2083 -5.2073 -3.1186 -3.1114 -2.9119 -2.8851 -2.4894 -2.4833 -2.3423 -2.3292 -2.1652 -2.1435 0.9250 0.9422 1.7034 1.7112 3.8539 3.8638 4.0711 4.0908 4.3684 4.3933 4.6836 4.6870 6.3477 6.3659 6.5065 6.5100 6.6779 6.6922 7.2391 7.2501 7.5019 7.5063 8.0379 8.0625 k = 0.0000 0.4861 0.3515 ( 4924 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2370 -5.2354 -5.2069 -5.2064 -3.1167 -3.1131 -2.9040 -2.8907 -2.4877 -2.4847 -2.3383 -2.3316 -2.1579 -2.1469 0.9201 0.9287 1.6990 1.7029 3.8577 3.8627 4.0784 4.0883 4.3756 4.3881 4.6845 4.6862 6.3613 6.3709 6.5077 6.5097 6.6703 6.6782 7.2448 7.2505 7.5047 7.5069 8.0346 8.0470 k = 0.0000 0.5000 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2063 -5.2063 -3.1149 -3.1149 -2.8970 -2.8970 -2.4861 -2.4861 -2.3347 -2.3347 -2.1517 -2.1517 0.9213 0.9213 1.6989 1.6989 3.8607 3.8607 4.0841 4.0841 4.3822 4.3822 4.6854 4.6854 6.3694 6.3694 6.5088 6.5088 6.6705 6.6705 7.2487 7.2487 7.5064 7.5064 8.0376 8.0376 k = 0.0000 0.5000 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2063 -5.2063 -3.1149 -3.1149 -2.8970 -2.8970 -2.4861 -2.4861 -2.3347 -2.3347 -2.1517 -2.1517 0.9213 0.9213 1.6989 1.6989 3.8607 3.8607 4.0841 4.0841 4.3822 4.3822 4.6854 4.6854 6.3694 6.3694 6.5088 6.5088 6.6705 6.6705 7.2487 7.2487 7.5064 7.5064 8.0376 8.0376 k = 0.0139 0.5000 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2357 -5.2354 -5.2068 -5.2051 -3.1210 -3.1083 -2.9008 -2.8932 -2.4893 -2.4825 -2.3375 -2.3319 -2.1522 -2.1511 0.9203 0.9237 1.6987 1.7014 3.8519 3.8666 4.0802 4.0832 4.3682 4.3922 4.6536 4.7075 6.3683 6.3704 6.4912 6.5115 6.6594 6.6961 7.2353 7.2546 7.4935 7.5143 8.0442 8.0452 k = 0.0278 0.5000 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2349 -5.2344 -5.2068 -5.2034 -3.1265 -3.1010 -2.9048 -2.8894 -2.4919 -2.4783 -2.3400 -2.3288 -2.1525 -2.1503 0.9207 0.9274 1.7009 1.7062 3.8405 3.8698 4.0707 4.0776 4.3506 4.3973 4.6130 4.7197 6.3669 6.3714 6.4670 6.4958 6.6670 6.7275 7.2153 7.2519 7.4771 7.5165 8.0646 8.0669 k = 0.0417 0.5000 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2335 -5.2328 -5.2062 -5.2012 -3.1315 -3.0934 -2.9089 -2.8859 -2.4941 -2.4739 -2.3425 -2.3258 -2.1527 -2.1494 0.9224 0.9325 1.7055 1.7135 3.8262 3.8699 4.0553 4.0677 4.3302 4.3964 4.5657 4.7223 6.3651 6.3723 6.4411 6.4693 6.6863 6.7589 7.1892 7.2398 7.4589 7.5128 8.0980 8.1027 k = 0.0556 0.5000 0.3515 ( 4908 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2315 -5.2305 -5.2051 -5.1984 -3.1359 -3.0853 -2.9129 -2.8824 -2.4959 -2.4692 -2.3446 -2.3226 -2.1526 -2.1482 0.9254 0.9390 1.7124 1.7231 3.8091 3.8666 4.0330 4.0536 4.3077 4.3863 4.5163 4.7162 6.3620 6.3732 6.4159 6.4404 6.7096 6.7877 7.1582 7.2181 7.4405 7.5036 8.1437 8.1518 k = 0.0694 0.5000 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2289 -5.2277 -5.2034 -5.1951 -3.1397 -3.0767 -2.9171 -2.8790 -2.4971 -2.4642 -2.3465 -2.3193 -2.1525 -2.1468 0.9296 0.9468 1.7215 1.7350 3.7891 3.8594 4.0033 4.0353 4.2841 4.3603 4.4733 4.7024 6.3561 6.3733 6.3930 6.4146 6.7329 6.8124 7.1229 7.1876 7.4226 7.4895 8.2007 8.2133 k = 0.0833 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2258 -5.2243 -5.2011 -5.1912 -3.1429 -3.0678 -2.9213 -2.8757 -2.4977 -2.4590 -2.3481 -2.3158 -2.1521 -2.1453 0.9351 0.9559 1.7329 1.7492 3.7662 3.8476 3.9656 4.0127 4.2604 4.3139 4.4438 4.6821 6.3448 6.3657 6.3799 6.3963 6.7543 6.8323 7.0843 7.1498 7.4050 7.4712 8.2679 8.2858 k = 0.0972 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0478 -36.0478 -35.9771 -35.9770 -5.2221 -5.2203 -5.1984 -5.1870 -3.1455 -3.0585 -2.9255 -2.8725 -2.4980 -2.4538 -2.3492 -2.3123 -2.1517 -2.1437 0.9417 0.9663 1.7465 1.7658 3.7401 3.8299 3.9196 3.9851 4.2371 4.2549 4.4233 4.6562 6.3277 6.3479 6.3792 6.3867 6.7728 6.8475 7.0433 7.1068 7.3868 7.4490 8.3438 8.3677 k = 0.1111 0.5000 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0411 -36.0479 -36.0479 -35.9771 -35.9770 -5.2179 -5.2159 -5.1952 -5.1823 -3.1476 -3.0490 -2.9298 -2.8694 -2.4978 -2.4488 -2.3498 -2.3086 -2.1511 -2.1418 0.9493 0.9778 1.7622 1.7846 3.7110 3.8047 3.8660 3.9516 4.1944 4.2148 4.4051 4.6259 6.3085 6.3306 6.3802 6.3821 6.7882 6.8581 7.0010 7.0606 7.3674 7.4235 8.4271 8.4571 k = 0.1250 0.5000 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9772 -35.9770 -5.2133 -5.2109 -5.1915 -5.1772 -3.1490 -3.0392 -2.9341 -2.8665 -2.4972 -2.4440 -2.3496 -2.3047 -2.1505 -2.1398 0.9579 0.9904 1.7800 1.8055 3.6786 3.7695 3.8056 3.9117 4.1397 4.1934 4.3861 4.5920 6.2901 6.3152 6.3796 6.3814 6.8004 6.8642 6.9583 7.0127 7.3462 7.3949 8.5163 8.5524 k = 0.1389 0.5000 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9772 -35.9770 -5.2082 -5.2056 -5.1873 -5.1717 -3.1497 -3.0291 -2.9383 -2.8636 -2.4961 -2.4396 -2.3485 -2.3006 -2.1497 -2.1376 0.9673 1.0040 1.7998 1.8287 3.6429 3.7213 3.7400 3.8675 4.0947 4.1728 4.3651 4.5549 6.2737 6.3017 6.3781 6.3828 6.8095 6.8652 6.9172 6.9644 7.3227 7.3637 8.6100 8.6520 k = 0.1528 0.5000 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9772 -35.9770 -5.2026 -5.1998 -5.1828 -5.1659 -3.1499 -3.0188 -2.9425 -2.8608 -2.4946 -2.4359 -2.3464 -2.2962 -2.1488 -2.1353 0.9774 1.0185 1.8215 1.8539 3.6026 3.6587 3.6718 3.8223 4.0592 4.1526 4.3416 4.5154 6.2594 6.2900 6.3769 6.3841 6.8158 6.8541 6.8857 6.9167 7.2968 7.3298 8.7068 8.7542 k = 0.1667 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0479 -36.0479 -35.9772 -35.9769 -5.1967 -5.1936 -5.1779 -5.1599 -3.1494 -3.0084 -2.9467 -2.8581 -2.4927 -2.4328 -2.3432 -2.2915 -2.1479 -2.1328 0.9882 1.0338 1.8451 1.8812 3.5543 3.5838 3.6060 3.7783 4.0307 4.1326 4.3155 4.4735 6.2473 6.2800 6.3758 6.3854 6.8195 6.8215 6.8704 6.8743 7.2684 7.2936 8.8057 8.8579 k = 0.1806 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1905 -5.1871 -5.1726 -5.1536 -3.1484 -2.9981 -2.9507 -2.8555 -2.4905 -2.4306 -2.3388 -2.2865 -2.1468 -2.1301 0.9993 1.0496 1.8704 1.9104 3.4921 3.5005 3.5501 3.7355 4.0066 4.1124 4.2867 4.4298 6.2374 6.2717 6.3745 6.3865 6.7832 6.8209 6.8260 6.8680 7.2376 7.2553 8.9054 8.9618 k = 0.1944 0.5000 0.3515 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1840 -5.1804 -5.1671 -5.1471 -3.1467 -2.9878 -2.9544 -2.8529 -2.4880 -2.4291 -2.3332 -2.2812 -2.1457 -2.1273 1.0106 1.0658 1.8972 1.9414 3.4127 3.4197 3.5021 3.6932 3.9850 4.0918 4.2552 4.3843 6.2294 6.2649 6.3730 6.3874 6.7455 6.7839 6.8205 6.8612 7.2044 7.2150 9.0051 9.0649 k = 0.2083 0.5000 0.3515 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9771 -35.9769 -5.1773 -5.1734 -5.1613 -5.1406 -3.1446 -2.9783 -2.9575 -2.8504 -2.4853 -2.4284 -2.3266 -2.2754 -2.1446 -2.1244 1.0220 1.0822 1.9256 1.9742 3.3233 3.3437 3.4566 3.6513 3.9643 4.0705 4.2211 4.3373 6.2233 6.2596 6.3709 6.3879 6.7096 6.7445 6.8182 6.8534 7.1691 7.1731 9.1041 9.1665 k = 0.2222 0.5000 0.3515 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0411 -36.0480 -36.0480 -35.9771 -35.9769 -5.1704 -5.1663 -5.1553 -5.1339 -3.1420 -2.9717 -2.9576 -2.8480 -2.4824 -2.4283 -2.3192 -2.2693 -2.1434 -2.1213 1.0332 1.0985 1.9553 2.0086 3.2342 3.2675 3.4117 3.6097 3.9438 4.0480 4.1846 4.2890 6.2188 6.2556 6.3683 6.3880 6.6760 6.7083 6.8145 6.8444 7.1297 7.1318 9.2016 9.2657 k = 0.2361 0.5000 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1634 -5.1591 -5.1491 -5.1272 -3.1389 -2.9714 -2.9515 -2.8456 -2.4794 -2.4286 -2.3110 -2.2627 -2.1422 -2.1181 1.0440 1.1144 1.9862 2.0445 3.1470 3.1928 3.3673 3.5688 3.9228 4.0241 4.1458 4.2399 6.2160 6.2530 6.3649 6.3876 6.6450 6.6753 6.8094 6.8346 7.0853 7.0930 9.2970 9.3621 k = 0.2500 0.5000 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1563 -5.1519 -5.1427 -5.1206 -3.1353 -2.9742 -2.9424 -2.8434 -2.4763 -2.4294 -2.3023 -2.2557 -2.1410 -2.1149 1.0542 1.1296 2.0180 2.0816 3.0629 3.1206 3.3234 3.5289 3.9008 3.9985 4.1050 4.1902 6.2145 6.2515 6.3607 6.3864 6.6171 6.6457 6.8033 6.8241 7.0403 7.0529 9.3900 9.4550 k = 0.2639 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1492 -5.1448 -5.1361 -5.1140 -3.1314 -2.9778 -2.9328 -2.8412 -2.4733 -2.4303 -2.2932 -2.2482 -2.1398 -2.1115 1.0635 1.1437 2.0507 2.1199 2.9828 3.0517 3.2804 3.4904 3.8774 3.9706 4.0625 4.1406 6.2144 6.2511 6.3555 6.3842 6.5922 6.6198 6.7963 6.8130 6.9948 7.0119 9.4802 9.5440 k = 0.2778 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1421 -5.1379 -5.1295 -5.1076 -3.1271 -2.9815 -2.9233 -2.8390 -2.4703 -2.4314 -2.2839 -2.2403 -2.1385 -2.1080 1.0717 1.1563 2.0839 2.1590 2.9077 2.9870 3.2388 3.4538 3.8524 3.9400 4.0185 4.0916 6.2155 6.2517 6.3494 6.3811 6.5707 6.5974 6.7886 6.8014 6.9495 6.9703 9.5670 9.6286 k = 0.2917 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1352 -5.1312 -5.1227 -5.1013 -3.1225 -2.9853 -2.9138 -2.8369 -2.4673 -2.4326 -2.2744 -2.2320 -2.1371 -2.1045 1.0785 1.1671 2.1175 2.1987 2.8383 2.9269 3.1991 3.4197 3.8254 3.9062 3.9735 4.0440 6.2176 6.2532 6.3424 6.3768 6.5526 6.5786 6.7803 6.7894 6.9046 6.9286 9.6502 9.7084 k = 0.3056 0.5000 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0482 -36.0482 -35.9772 -35.9769 -5.1284 -5.1247 -5.1159 -5.0952 -3.1176 -2.9891 -2.9047 -2.8349 -2.4644 -2.4338 -2.2648 -2.2234 -2.1357 -2.1009 1.0839 1.1757 2.1511 2.2387 2.7753 2.8719 3.1618 3.3883 3.7963 3.8688 3.9279 3.9984 6.2207 6.2555 6.3347 6.3713 6.5379 6.5631 6.7715 6.7772 6.8607 6.8872 9.7295 9.7829 k = 0.3194 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9770 -5.1218 -5.1186 -5.1091 -5.0895 -3.1126 -2.9930 -2.8961 -2.8330 -2.4618 -2.4351 -2.2555 -2.2146 -2.1342 -2.0974 1.0878 1.1817 2.1847 2.2785 2.7192 2.8222 3.1275 3.3602 3.7649 3.8278 3.8822 3.9550 6.2245 6.2584 6.3266 6.3649 6.5263 6.5505 6.7623 6.7642 6.8186 6.8463 9.8044 9.8518 k = 0.3333 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9770 -5.1155 -5.1128 -5.1024 -5.0840 -3.1073 -2.9967 -2.8877 -2.8312 -2.4593 -2.4362 -2.2462 -2.2059 -2.1325 -2.0939 1.0900 1.1848 2.2178 2.3178 2.6705 2.7780 3.0969 3.3357 3.7310 3.7838 3.8369 3.9138 6.2289 6.2618 6.3186 6.3578 6.5176 6.5405 6.7489 6.7529 6.7806 6.8066 9.8745 9.9148 k = 0.3472 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1095 -5.1073 -5.0960 -5.0788 -3.1020 -3.0006 -2.8799 -2.8295 -2.4570 -2.4374 -2.2372 -2.1973 -2.1305 -2.0905 1.0907 1.1849 2.2503 2.3559 2.6293 2.7391 3.0707 3.3153 3.6948 3.7380 3.7924 3.8741 6.2339 6.2655 6.3109 6.3505 6.5112 6.5326 6.7244 6.7429 6.7538 6.7687 9.9396 9.9719 k = 0.3611 0.5000 0.3515 ( 4888 PWs) bands (ev): -64.9718 -64.9718 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1038 -5.1022 -5.0898 -5.0740 -3.0965 -3.0044 -2.8725 -2.8280 -2.4549 -2.4384 -2.2285 -2.1893 -2.1281 -2.0872 1.0899 1.1821 2.2819 2.3922 2.5956 2.7053 3.0498 3.2992 3.6563 3.6915 3.7491 3.8354 6.2392 6.2695 6.3039 6.3432 6.5067 6.5265 6.6911 6.7263 6.7385 6.7391 9.9993 10.0231 k = 0.3750 0.5000 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.0986 -5.0974 -5.0839 -5.0697 -3.0911 -3.0083 -2.8657 -2.8267 -2.4531 -2.4394 -2.2203 -2.1821 -2.1252 -2.0842 1.0881 1.1765 2.3124 2.4259 2.5691 2.6762 3.0348 3.2875 3.6164 3.6455 3.7071 3.7972 6.2446 6.2734 6.2979 6.3363 6.5037 6.5217 6.6572 6.6940 6.7268 6.7274 10.0534 10.0687 k = 0.3889 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9718 -64.9718 -37.0415 -37.0413 -36.0483 -36.0483 -35.9771 -35.9770 -5.0939 -5.0930 -5.0785 -5.0657 -3.0857 -3.0121 -2.8593 -2.8256 -2.4514 -2.4402 -2.2125 -2.1759 -2.1215 -2.0815 1.0855 1.1685 2.3418 2.4563 2.5494 2.6510 3.0267 3.2801 3.5759 3.6012 3.6664 3.7591 6.2499 6.2771 6.2934 6.3301 6.5018 6.5181 6.6253 6.6614 6.7166 6.7183 10.1017 10.1091 k = 0.4028 0.5000 0.3515 ( 4892 PWs) bands (ev): -64.9718 -64.9718 -37.0415 -37.0414 -36.0483 -36.0483 -35.9771 -35.9770 -5.0896 -5.0891 -5.0734 -5.0623 -3.0803 -3.0160 -2.8535 -2.8248 -2.4500 -2.4410 -2.2052 -2.1711 -2.1170 -2.0792 1.0824 1.1585 2.3699 2.4827 2.5357 2.6293 3.0257 3.2765 3.5361 3.5597 3.6270 3.7211 6.2548 6.2803 6.2905 6.3247 6.5007 6.5152 6.5963 6.6310 6.7075 6.7101 10.1442 10.1449 k = 0.4167 0.5000 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9770 -5.0859 -5.0856 -5.0689 -5.0593 -3.0750 -3.0200 -2.8483 -2.8242 -2.4488 -2.4417 -2.1985 -2.1678 -2.1119 -2.0774 1.0794 1.1471 2.3965 2.5044 2.5275 2.6103 3.0322 3.2756 3.4988 3.5220 3.5892 3.6833 6.2590 6.2829 6.2895 6.3203 6.5002 6.5129 6.5708 6.6031 6.6994 6.7024 10.1763 10.1808 k = 0.4306 0.5000 0.3515 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9771 -5.0827 -5.0826 -5.0649 -5.0569 -3.0698 -3.0240 -2.8436 -2.8239 -2.4478 -2.4424 -2.1924 -2.1659 -2.1063 -2.0762 1.0769 1.1351 2.4215 2.5210 2.5237 2.5937 3.0458 3.2753 3.4664 3.4892 3.5533 3.6457 6.2626 6.2846 6.2902 6.3168 6.5001 6.5111 6.5491 6.5781 6.6925 6.6956 10.2037 10.2116 k = 0.4444 0.5000 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9771 -5.0801 -5.0801 -5.0614 -5.0550 -3.0647 -3.0281 -2.8395 -2.8240 -2.4470 -2.4429 -2.1868 -2.1651 -2.1006 -2.0757 1.0754 1.1231 2.4445 2.5238 2.5318 2.5793 3.0656 3.2717 3.4428 3.4624 3.5201 3.6087 6.2657 6.2851 6.2924 6.3140 6.5001 6.5096 6.5318 6.5564 6.6868 6.6897 10.2271 10.2365 k = 0.4583 0.5000 0.3515 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9771 -35.9771 -5.0781 -5.0780 -5.0585 -5.0537 -3.0596 -3.0323 -2.8358 -2.8243 -2.4462 -2.4433 -2.1818 -2.1652 -2.0950 -2.0759 1.0752 1.1116 2.4653 2.5271 2.5361 2.5678 3.0905 3.2605 3.4320 3.4426 3.4908 3.5728 6.2686 6.2845 6.2955 6.3119 6.5000 6.5082 6.5194 6.5381 6.6824 6.6848 10.2464 10.2554 k = 0.4722 0.5000 0.3515 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0767 -5.0766 -5.0562 -5.0530 -3.0548 -3.0365 -2.8327 -2.8251 -2.4456 -2.4438 -2.1774 -2.1663 -2.0899 -2.0770 1.0766 1.1012 2.4835 2.5328 2.5331 2.5597 3.1192 3.2400 3.4304 3.4341 3.4675 3.5386 6.2716 6.2830 6.2989 6.3099 6.4996 6.5068 6.5122 6.5237 6.6794 6.6811 10.2612 10.2682 k = 0.4861 0.5000 0.3515 ( 4932 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0758 -5.0757 -5.0545 -5.0529 -3.0501 -3.0410 -2.8301 -2.8264 -2.4452 -2.4444 -2.1737 -2.1681 -2.0855 -2.0790 1.0799 1.0922 2.4992 2.5244 2.5399 2.5537 3.1502 3.2128 3.4261 3.4372 3.4607 3.5069 6.2746 6.2806 6.3022 6.3077 6.4997 6.5047 6.5096 6.5141 6.6776 6.6785 10.2712 10.2750 k = 0.5000 0.5000 0.3515 ( 4936 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0755 -5.0755 -5.0534 -5.0534 -3.0456 -3.0456 -2.8280 -2.8280 -2.4448 -2.4448 -2.1706 -2.1706 -2.0818 -2.0818 1.0851 1.0851 2.5128 2.5128 2.5472 2.5472 3.1820 3.1820 3.4296 3.4296 3.4794 3.4794 6.2777 6.2777 6.3052 6.3052 6.5016 6.5016 6.5100 6.5100 6.6773 6.6773 10.2759 10.2759 k = 0.5000 0.5000 0.3515 ( 4936 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0755 -5.0755 -5.0534 -5.0534 -3.0456 -3.0456 -2.8280 -2.8280 -2.4448 -2.4448 -2.1706 -2.1706 -2.0818 -2.0818 1.0851 1.0851 2.5128 2.5128 2.5472 2.5472 3.1820 3.1820 3.4296 3.4296 3.4794 3.4794 6.2777 6.2777 6.3052 6.3052 6.5016 6.5016 6.5100 6.5100 6.6773 6.6773 10.2759 10.2759 k = 0.4900 0.4900 0.3515 ( 4930 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0758 -5.0758 -5.0545 -5.0529 -3.0502 -3.0410 -2.8302 -2.8263 -2.4452 -2.4443 -2.1738 -2.1681 -2.0856 -2.0789 1.0798 1.0924 2.4989 2.5244 2.5397 2.5539 3.1496 3.2133 3.4249 3.4396 3.4594 3.5076 6.2746 6.2807 6.3022 6.3078 6.4994 6.5052 6.5099 6.5136 6.6777 6.6786 10.2710 10.2750 k = 0.4800 0.4800 0.3515 ( 4922 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0767 -5.0766 -5.0562 -5.0531 -3.0549 -3.0365 -2.8328 -2.8252 -2.4457 -2.4438 -2.1776 -2.1663 -2.0902 -2.0769 1.0765 1.1017 2.4828 2.5256 2.5400 2.5605 3.1178 3.2402 3.4215 3.4547 3.4565 3.5405 6.2712 6.2834 6.2988 6.3099 6.4990 6.5097 6.5136 6.5204 6.6796 6.6813 10.2605 10.2680 k = 0.4700 0.4700 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9772 -35.9771 -5.0782 -5.0781 -5.0586 -5.0539 -3.0598 -3.0323 -2.8359 -2.8245 -2.4463 -2.4434 -2.1820 -2.1653 -2.0957 -2.0757 1.0754 1.1129 2.4642 2.5132 2.5514 2.5679 3.0875 3.2578 3.4232 3.4661 3.4799 3.5765 6.2679 6.2858 6.2952 6.3115 6.5002 6.5160 6.5197 6.5299 6.6835 6.6856 10.2445 10.2548 k = 0.4600 0.4600 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9772 -35.9771 -5.0803 -5.0803 -5.0615 -5.0553 -3.0647 -3.0283 -2.8395 -2.8242 -2.4469 -2.4430 -2.1870 -2.1652 -2.1018 -2.0753 1.0762 1.1259 2.4431 2.4971 2.5649 2.5767 3.0593 3.2623 3.4387 3.4879 3.5091 3.6149 6.2645 6.2880 6.2916 6.3128 6.5027 6.5246 6.5267 6.5420 6.6901 6.6921 10.2233 10.2355 k = 0.4500 0.4500 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0484 -36.0484 -35.9771 -35.9770 -5.0830 -5.0830 -5.0650 -5.0574 -3.0696 -3.0245 -2.8434 -2.8245 -2.4476 -2.4426 -2.1926 -2.1661 -2.1086 -2.0755 1.0792 1.1407 2.4202 2.4784 2.5800 2.5874 3.0335 3.2561 3.4675 3.5170 3.5432 3.6551 6.2614 6.2876 6.2908 6.3140 6.5059 6.5320 6.5373 6.5564 6.6999 6.7011 10.1972 10.2101 k = 0.4400 0.4400 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9718 -37.0415 -37.0414 -36.0483 -36.0483 -35.9771 -35.9770 -5.0864 -5.0862 -5.0690 -5.0602 -3.0745 -3.0210 -2.8478 -2.8251 -2.4484 -2.4421 -2.1989 -2.1681 -2.1158 -2.0762 1.0842 1.1572 2.3960 2.4579 2.5972 2.6001 3.0107 3.2444 3.5046 3.5518 3.5810 3.6968 6.2586 6.2844 6.2931 6.3152 6.5093 6.5369 6.5519 6.5731 6.7131 6.7135 10.1664 10.1790 k = 0.4300 0.4300 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0414 -36.0483 -36.0483 -35.9771 -35.9770 -5.0905 -5.0901 -5.0735 -5.0636 -3.0794 -3.0180 -2.8527 -2.8263 -2.4494 -2.4417 -2.2059 -2.1712 -2.1235 -2.0776 1.0912 1.1753 2.3714 2.4365 2.6148 2.6164 2.9909 3.2309 3.5464 3.5912 3.6217 3.7396 6.2560 6.2814 6.2957 6.3166 6.5121 6.5398 6.5692 6.5919 6.7287 6.7314 10.1315 10.1425 k = 0.4200 0.4200 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.0952 -5.0944 -5.0785 -5.0677 -3.0843 -3.0153 -2.8580 -2.8279 -2.4505 -2.4413 -2.2137 -2.1755 -2.1313 -2.0794 1.1003 1.1949 2.3469 2.4148 2.6314 2.6378 2.9744 3.2177 3.5905 3.6341 3.6642 3.7833 6.2539 6.2789 6.2987 6.3183 6.5140 6.5407 6.5889 6.6127 6.7481 6.7536 10.0929 10.1012 k = 0.4100 0.4100 0.3515 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1005 -5.0993 -5.0839 -5.0724 -3.0891 -3.0130 -2.8636 -2.8298 -2.4517 -2.4408 -2.2222 -2.1809 -2.1392 -2.0815 1.1113 1.2160 2.3232 2.3935 2.6498 2.6615 2.9617 3.2056 3.6359 3.6797 3.7079 3.8275 6.2522 6.2768 6.3022 6.3205 6.5146 6.5397 6.6110 6.6356 6.7715 6.7800 10.0512 10.0559 k = 0.4000 0.4000 0.3515 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9770 -5.1064 -5.1047 -5.0898 -5.0776 -3.0938 -3.0112 -2.8696 -2.8320 -2.4531 -2.4402 -2.2316 -2.1874 -2.1469 -2.0840 1.1242 1.2384 2.3008 2.3732 2.6696 2.6875 2.9529 3.1952 3.6816 3.7273 3.7520 3.8720 6.2510 6.2752 6.3063 6.3233 6.5138 6.5369 6.6353 6.6604 6.7987 6.8101 10.0071 10.0073 k = 0.3900 0.3900 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0483 -36.0483 -35.9772 -35.9769 -5.1129 -5.1106 -5.0961 -5.0835 -3.0985 -3.0100 -2.8760 -2.8346 -2.4547 -2.4397 -2.2417 -2.1949 -2.1544 -2.0870 1.1390 1.2621 2.2801 2.3545 2.6904 2.7156 2.9486 3.1869 3.7272 3.7761 3.7959 3.9165 6.2503 6.2741 6.3111 6.3268 6.5117 6.5328 6.6615 6.6870 6.8294 6.8436 9.9562 9.9613 k = 0.3800 0.3800 0.3515 ( 4902 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9769 -5.1199 -5.1171 -5.1028 -5.0900 -3.1030 -3.0093 -2.8827 -2.8374 -2.4565 -2.4391 -2.2525 -2.2033 -2.1616 -2.0903 1.1556 1.2869 2.2615 2.3376 2.7119 2.7459 2.9491 3.1807 3.7720 3.8257 3.8391 3.9607 6.2500 6.2736 6.3166 6.3311 6.5085 6.5276 6.6896 6.7152 6.8635 6.8800 9.9036 9.9145 k = 0.3700 0.3700 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0413 -36.0482 -36.0482 -35.9772 -35.9769 -5.1275 -5.1240 -5.1100 -5.0970 -3.1074 -3.0092 -2.8897 -2.8404 -2.4584 -2.4385 -2.2639 -2.2126 -2.1686 -2.0941 1.1739 1.3127 2.2453 2.3231 2.7334 2.7783 2.9549 3.1769 3.8158 3.8756 3.8811 4.0044 6.2502 6.2736 6.3230 6.3362 6.5044 6.5216 6.7192 6.7449 6.9004 6.9190 9.8502 9.8676 k = 0.3600 0.3600 0.3515 ( 4910 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0412 -36.0482 -36.0482 -35.9772 -35.9770 -5.1356 -5.1313 -5.1175 -5.1045 -3.1117 -3.0097 -2.8970 -2.8435 -2.4606 -2.4378 -2.2758 -2.2225 -2.1753 -2.0983 1.1938 1.3396 2.2317 2.3111 2.7544 2.8127 2.9666 3.1755 3.8581 3.9214 3.9253 4.0474 6.2508 6.2741 6.3302 6.3422 6.4996 6.5149 6.7502 6.7758 6.9399 6.9602 9.7968 9.8212 k = 0.3500 0.3500 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1440 -5.1391 -5.1254 -5.1125 -3.1157 -3.0109 -2.9045 -2.8466 -2.4630 -2.4370 -2.2879 -2.2329 -2.1817 -2.1030 1.2153 1.3672 2.2209 2.3018 2.7746 2.8490 2.9843 3.1766 3.8986 3.9597 3.9747 4.0894 6.2519 6.2751 6.3385 6.3492 6.4942 6.5079 6.7823 6.8077 6.9815 7.0031 9.7441 9.7762 k = 0.3400 0.3400 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1529 -5.1472 -5.1338 -5.1210 -3.1196 -3.0128 -2.9123 -2.8498 -2.4657 -2.4363 -2.3002 -2.2437 -2.1880 -2.1082 1.2383 1.3957 2.2132 2.2955 2.7940 2.8868 3.0080 3.1803 3.9370 3.9956 4.0234 4.1303 6.2533 6.2766 6.3476 6.3571 6.4885 6.5005 6.8151 6.8401 7.0248 7.0474 9.6927 9.7331 k = 0.3300 0.3300 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0412 -36.0481 -36.0481 -35.9772 -35.9769 -5.1620 -5.1558 -5.1425 -5.1299 -3.1234 -3.0154 -2.9202 -2.8531 -2.4686 -2.4355 -2.3124 -2.2548 -2.1941 -2.1139 1.2627 1.4248 2.2085 2.2923 2.8127 2.9260 3.0374 3.1868 3.9731 4.0290 4.0711 4.1699 6.2551 6.2785 6.3578 6.3661 6.4825 6.4929 6.8484 6.8727 7.0693 7.0925 9.6433 9.6926 k = 0.3200 0.3200 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1715 -5.1646 -5.1515 -5.1393 -3.1269 -3.0186 -2.9283 -2.8563 -2.4718 -2.4347 -2.3244 -2.2660 -2.2001 -2.1202 1.2884 1.4544 2.2071 2.2922 2.8313 2.9662 3.0717 3.1962 4.0068 4.0595 4.1176 4.2081 6.2572 6.2807 6.3690 6.3761 6.4765 6.4854 6.8818 6.9050 7.1146 7.1379 9.5964 9.6553 k = 0.3100 0.3100 0.3515 ( 4910 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1812 -5.1738 -5.1610 -5.1490 -3.1303 -3.0225 -2.9366 -2.8596 -2.4753 -2.4339 -2.3360 -2.2773 -2.2060 -2.1270 1.3154 1.4846 2.2089 2.2954 2.8503 3.0068 3.1104 3.2088 4.0379 4.0871 4.1628 4.2448 6.2595 6.2833 6.3813 6.3872 6.4705 6.4779 6.9147 6.9366 7.1599 7.1832 9.5525 9.6215 k = 0.3000 0.3000 0.3515 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0414 -37.0411 -36.0480 -36.0480 -35.9772 -35.9769 -5.1911 -5.1833 -5.1707 -5.1590 -3.1333 -3.0270 -2.9449 -2.8628 -2.4791 -2.4330 -2.3472 -2.2886 -2.2118 -2.1343 1.3434 1.5151 2.2141 2.3018 2.8700 3.0472 3.1529 3.2252 4.0664 4.1114 4.2066 4.2799 6.2622 6.2862 6.3947 6.3994 6.4647 6.4707 6.9468 6.9671 7.2049 7.2277 9.5117 9.5918 k = 0.2900 0.2900 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0479 -36.0479 -35.9772 -35.9769 -5.2011 -5.1930 -5.1807 -5.1694 -3.1363 -3.0320 -2.9533 -2.8660 -2.4833 -2.4322 -2.3578 -2.2997 -2.2176 -2.1422 1.3725 1.5460 2.2226 2.3115 2.8907 3.0863 3.1987 3.2461 4.0922 4.1325 4.2487 4.3135 6.2650 6.2894 6.4091 6.4126 6.4590 6.4638 6.9777 6.9959 7.2488 7.2709 9.4746 9.5662 k = 0.2800 0.2800 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0478 -36.0478 -35.9772 -35.9769 -5.2113 -5.2029 -5.1910 -5.1799 -3.1389 -3.0376 -2.9617 -2.8692 -2.4877 -2.4313 -2.3677 -2.3107 -2.2232 -2.1505 1.4026 1.5770 2.2344 2.3244 2.9128 3.1231 3.2472 3.2723 4.1153 4.1504 4.2893 4.3454 6.2681 6.2930 6.4247 6.4266 6.4535 6.4575 7.0067 7.0227 7.2911 7.3122 9.4411 9.5450 k = 0.2700 0.2700 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0410 -36.0478 -36.0478 -35.9772 -35.9768 -5.2215 -5.2130 -5.2014 -5.1908 -3.1414 -3.0435 -2.9700 -2.8727 -2.4924 -2.4305 -2.3769 -2.3214 -2.2289 -2.1592 1.4335 1.6082 2.2495 2.3405 2.9361 3.1568 3.2983 3.3042 4.1359 4.1649 4.3281 4.3756 6.2714 6.2966 6.4397 6.4414 6.4483 6.4536 7.0336 7.0469 7.3312 7.3510 9.4112 9.5281 k = 0.2600 0.2600 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0413 -37.0409 -36.0478 -36.0478 -35.9772 -35.9768 -5.2318 -5.2231 -5.2121 -5.2017 -3.1438 -3.0498 -2.9783 -2.8762 -2.4974 -2.4298 -2.3854 -2.3319 -2.2346 -2.1684 1.4651 1.6394 2.2679 2.3597 2.9609 3.1872 3.3415 3.3515 4.1541 4.1762 4.3652 4.4043 6.2749 6.3005 6.4412 6.4434 6.4592 6.4627 7.0578 7.0684 7.3684 7.3868 9.3850 9.5152 k = 0.2500 0.2500 0.3515 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0477 -36.0477 -35.9772 -35.9768 -5.2421 -5.2334 -5.2229 -5.2128 -3.1458 -3.0564 -2.9865 -2.8799 -2.5025 -2.4291 -2.3931 -2.3420 -2.2401 -2.1778 1.4974 1.6705 2.2894 2.3820 2.9870 3.2149 3.3833 3.4066 4.1701 4.1843 4.4005 4.4315 6.2786 6.3046 6.4363 6.4388 6.4780 6.4797 7.0792 7.0868 7.4021 7.4190 9.3620 9.5059 k = 0.2400 0.2400 0.3515 ( 4876 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0477 -36.0477 -35.9772 -35.9768 -5.2523 -5.2437 -5.2338 -5.2240 -3.1477 -3.0631 -2.9944 -2.8838 -2.5076 -2.4285 -2.4000 -2.3517 -2.2456 -2.1875 1.5303 1.7015 2.3140 2.4071 3.0143 3.2408 3.4281 3.4633 4.1842 4.1892 4.4342 4.4572 6.2824 6.3089 6.4311 6.4346 6.4980 6.4985 7.0974 7.1020 7.4321 7.4474 9.3420 9.4995 k = 0.2300 0.2300 0.3515 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0409 -36.0476 -36.0476 -35.9772 -35.9768 -5.2624 -5.2541 -5.2448 -5.2352 -3.1494 -3.0701 -3.0022 -2.8879 -2.5129 -2.4281 -2.4064 -2.3611 -2.2511 -2.1974 1.5635 1.7322 2.3416 2.4351 3.0428 3.2657 3.4745 3.5214 4.1912 4.1968 4.4661 4.4815 6.2864 6.3132 6.4259 6.4306 6.5187 6.5188 7.1125 7.1141 7.4577 7.4715 9.3242 9.4951 k = 0.2200 0.2200 0.3515 ( 4882 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0408 -36.0476 -36.0476 -35.9772 -35.9768 -5.2724 -5.2644 -5.2558 -5.2463 -3.1510 -3.0770 -3.0097 -2.8923 -2.5179 -2.4277 -2.4120 -2.3701 -2.2563 -2.2074 1.5971 1.7626 2.3720 2.4658 3.0722 3.2900 3.5214 3.5807 4.1903 4.2083 4.4965 4.5044 6.2905 6.3176 6.4209 6.4268 6.5399 6.5406 7.1231 7.1243 7.4789 7.4912 9.3082 9.4918 k = 0.2100 0.2100 0.3515 ( 4884 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0476 -36.0476 -35.9772 -35.9768 -5.2823 -5.2746 -5.2667 -5.2574 -3.1524 -3.0840 -3.0169 -2.8970 -2.5228 -2.4276 -2.4172 -2.3786 -2.2615 -2.2175 1.6309 1.7926 2.4052 2.4990 3.1024 3.3140 3.5675 3.6408 4.1867 4.2193 4.5253 4.5263 6.2948 6.3221 6.4161 6.4233 6.5620 6.5632 7.1294 7.1331 7.4955 7.5064 9.2931 9.4885 k = 0.2000 0.2000 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0475 -35.9772 -35.9768 -5.2919 -5.2848 -5.2776 -5.2683 -3.1536 -3.0908 -3.0237 -2.9020 -2.5274 -2.4278 -2.4218 -2.3867 -2.2665 -2.2275 1.6647 1.8221 2.4410 2.5346 3.1332 3.3378 3.6117 3.7016 4.1805 4.2305 4.5471 4.5527 6.2993 6.3266 6.4115 6.4201 6.5849 6.5865 7.1332 7.1392 7.5074 7.5171 9.2782 9.4840 k = 0.1900 0.1900 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0475 -36.0475 -35.9772 -35.9768 -5.3013 -5.2948 -5.2883 -5.2790 -3.1547 -3.0976 -3.0301 -2.9074 -2.5317 -2.4282 -2.4260 -2.3943 -2.2714 -2.2373 1.6985 1.8509 2.4792 2.5725 3.1643 3.3615 3.6530 3.7625 4.1721 4.2427 4.5670 4.5787 6.3039 6.3311 6.4070 6.4170 6.6084 6.6101 7.1350 7.1429 7.5148 7.5235 9.2630 9.4774 k = 0.1800 0.1800 0.3515 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0474 -36.0474 -35.9772 -35.9768 -5.3105 -5.3046 -5.2988 -5.2895 -3.1557 -3.1041 -3.0360 -2.9129 -2.5355 -2.4298 -2.4290 -2.4014 -2.2761 -2.2469 1.7321 1.8791 2.5196 2.6123 3.1956 3.3850 3.6900 3.8232 4.1617 4.2568 4.5862 4.6035 6.3086 6.3354 6.4026 6.4141 6.6322 6.6339 7.1355 7.1448 7.5179 7.5257 9.2468 9.4677 k = 0.1700 0.1700 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0408 -36.0474 -36.0474 -35.9772 -35.9768 -5.3193 -5.3143 -5.3090 -5.2996 -3.1566 -3.1105 -3.0413 -2.9188 -2.5388 -2.4333 -2.4304 -2.4079 -2.2806 -2.2562 1.7654 1.9065 2.5620 2.6540 3.2267 3.4083 3.7217 3.8831 4.1497 4.2736 4.6049 4.6271 6.3135 6.3396 6.3983 6.4114 6.6560 6.6576 7.1352 7.1455 7.5169 7.5241 9.2293 9.4544 k = 0.1600 0.1600 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9772 -35.9769 -5.3279 -5.3237 -5.3190 -5.3095 -3.1575 -3.1166 -3.0461 -2.9250 -2.5416 -2.4365 -2.4324 -2.4136 -2.2848 -2.2651 1.7982 1.9330 2.6063 2.6974 3.2575 3.4312 3.7471 3.9411 4.1371 4.2937 4.6233 4.6498 6.3185 6.3435 6.3940 6.4088 6.6793 6.6806 7.1350 7.1459 7.5123 7.5191 9.2102 9.4371 k = 0.1500 0.1500 0.3515 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0408 -36.0474 -36.0474 -35.9771 -35.9769 -5.3361 -5.3328 -5.3286 -5.3189 -3.1583 -3.1224 -3.0503 -2.9314 -2.5438 -2.4393 -2.4353 -2.4186 -2.2889 -2.2735 1.8304 1.9584 2.6522 2.7422 3.2875 3.4535 3.7656 3.9942 4.1264 4.3172 4.6416 4.6716 6.3235 6.3470 6.3896 6.4065 6.7016 6.7024 7.1356 7.1466 7.5046 7.5110 9.1894 9.4158 k = 0.1400 0.1400 0.3515 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.3439 -5.3416 -5.3377 -5.3279 -3.1591 -3.1279 -3.0538 -2.9380 -2.5455 -2.4420 -2.4391 -2.4226 -2.2927 -2.2812 1.8619 1.9828 2.6996 2.7882 3.3165 3.4752 3.7770 4.0333 4.1266 4.3441 4.6600 4.6928 6.3287 6.3500 6.3852 6.4044 6.7223 6.7226 7.1378 7.1486 7.4942 7.5004 9.1672 9.3906 k = 0.1300 0.1300 0.3515 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0410 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.3515 -5.3500 -5.3463 -5.3364 -3.1600 -3.1331 -3.0566 -2.9449 -2.5467 -2.4444 -2.4436 -2.4261 -2.2964 -2.2884 1.8924 2.0059 2.7481 2.8352 3.3442 3.4961 3.7817 4.0424 4.1533 4.3734 4.6787 4.7136 6.3339 6.3524 6.3808 6.4027 6.7403 6.7408 7.1424 7.1526 7.4816 7.4876 9.1436 9.3620 k = 0.1200 0.1200 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.3587 -5.3580 -5.3543 -5.3444 -3.1609 -3.1380 -3.0587 -2.9518 -2.5472 -2.4486 -2.4466 -2.4292 -2.2997 -2.2948 1.9218 2.0276 2.7976 2.8830 3.3704 3.5159 3.7801 4.0303 4.1976 4.4042 4.6979 4.7341 6.3391 6.3540 6.3763 6.4013 6.7552 6.7564 7.1500 7.1595 7.4673 7.4732 9.1192 9.3304 k = 0.1100 0.1100 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0473 -36.0473 -35.9771 -35.9769 -5.3658 -5.3656 -5.3615 -5.3519 -3.1619 -3.1425 -3.0601 -2.9589 -2.5473 -2.4539 -2.4486 -2.4321 -2.3029 -2.3006 1.9500 2.0478 2.8478 2.9312 3.3945 3.5343 3.7733 4.0104 4.2455 4.4351 4.7178 4.7546 6.3442 6.3547 6.3718 6.4005 6.7669 6.7688 7.1610 7.1698 7.4520 7.4578 9.0943 9.2965 k = 0.1000 0.1000 0.3515 ( 4922 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0408 -36.0472 -36.0472 -35.9771 -35.9769 -5.3727 -5.3726 -5.3678 -5.3588 -3.1628 -3.1466 -3.0607 -2.9661 -2.5467 -2.4593 -2.4503 -2.4350 -2.3059 -2.3056 1.9768 2.0664 2.8985 2.9796 3.4165 3.5512 3.7622 3.9873 4.2924 4.4649 4.7384 4.7751 6.3491 6.3544 6.3673 6.4000 6.7753 6.7777 7.1755 7.1834 7.4361 7.4417 9.0696 9.2609 k = 0.0900 0.0900 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9769 -5.3792 -5.3790 -5.3735 -5.3652 -3.1637 -3.1503 -3.0605 -2.9731 -2.5456 -2.4648 -2.4518 -2.4377 -2.3097 -2.3085 2.0021 2.0833 2.9494 3.0278 3.4359 3.5658 3.7480 3.9624 4.3366 4.4924 4.7598 4.7958 6.3533 6.3535 6.3636 6.4000 6.7807 6.7835 7.1931 7.2003 7.4202 7.4256 9.0455 9.2243 k = 0.0800 0.0800 0.3515 ( 4910 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9769 -5.3852 -5.3849 -5.3784 -5.3710 -3.1646 -3.1537 -3.0597 -2.9803 -2.5440 -2.4705 -2.4531 -2.4405 -2.3132 -2.3110 2.0257 2.0983 3.0002 3.0756 3.4523 3.5773 3.7321 3.9362 4.3773 4.5167 4.7816 4.8164 6.3515 6.3549 6.3627 6.4002 6.7834 6.7864 7.2130 7.2196 7.4046 7.4097 9.0227 9.1872 k = 0.0700 0.0700 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0407 -36.0472 -36.0472 -35.9771 -35.9770 -5.3906 -5.3903 -5.3827 -5.3762 -3.1656 -3.1568 -3.0582 -2.9874 -2.5419 -2.4762 -2.4542 -2.4432 -2.3162 -2.3133 2.0474 2.1113 3.0508 3.1224 3.4654 3.5839 3.7169 3.9094 4.4143 4.5370 4.8037 4.8365 6.3491 6.3520 6.3661 6.4003 6.7841 6.7870 7.2344 7.2404 7.3900 7.3946 9.0018 9.1504 k = 0.0600 0.0600 0.3515 ( 4928 PWs) bands (ev): -64.9719 -64.9719 -37.0409 -37.0408 -36.0472 -36.0472 -35.9771 -35.9770 -5.3953 -5.3950 -5.3864 -5.3807 -3.1664 -3.1594 -3.0560 -2.9944 -2.5393 -2.4820 -2.4551 -2.4457 -2.3185 -2.3154 2.0672 2.1222 3.1006 3.1679 3.4749 3.5831 3.7055 3.8824 4.4473 4.5532 4.8255 4.8557 6.3465 6.3482 6.3705 6.4004 6.7834 6.7861 7.2561 7.2616 7.3765 7.3807 8.9835 9.1146 k = 0.0500 0.0500 0.3515 ( 4916 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.3993 -5.3991 -5.3894 -5.3847 -3.1671 -3.1616 -3.0532 -3.0011 -2.5362 -2.4877 -2.4557 -2.4478 -2.3201 -2.3171 2.0849 2.1309 3.1495 3.2114 3.4804 3.5727 3.7007 3.8559 4.4763 4.5652 4.8464 4.8732 6.3438 6.3446 6.3749 6.4002 6.7819 6.7843 7.2770 7.2820 7.3647 7.3683 8.9683 9.0739 k = 0.0400 0.0400 0.3515 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.4026 -5.4025 -5.3918 -5.3881 -3.1676 -3.1635 -3.0499 -3.0077 -2.5327 -2.4934 -2.4561 -2.4498 -2.3213 -2.3186 2.1004 2.1373 3.1968 3.2520 3.4817 3.5534 3.7026 3.8302 4.5014 4.5729 4.8655 4.8881 6.3413 6.3415 6.3792 6.3996 6.7801 6.7820 7.2961 7.3005 7.3549 7.3577 8.9571 9.0347 k = 0.0300 0.0300 0.3515 ( 4910 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9771 -35.9770 -5.4052 -5.4051 -5.3936 -5.3908 -3.1680 -3.1651 -3.0460 -3.0142 -2.5288 -2.4990 -2.4562 -2.4515 -2.3222 -2.3199 2.1136 2.1413 3.2417 3.2885 3.4788 3.5282 3.7094 3.8061 4.5227 4.5766 4.8821 4.8999 6.3389 6.3390 6.3831 6.3986 6.7783 6.7797 7.3120 7.3157 7.3473 7.3494 8.9502 9.0053 k = 0.0200 0.0200 0.3515 ( 4906 PWs) bands (ev): -64.9719 -64.9719 -37.0408 -37.0407 -36.0471 -36.0471 -35.9770 -35.9770 -5.4071 -5.4070 -5.3947 -5.3928 -3.1682 -3.1663 -3.0417 -3.0203 -2.5246 -2.5046 -2.4561 -2.4530 -2.3226 -2.3210 2.1244 2.1429 3.2830 3.3186 3.4726 3.5010 3.7195 3.7840 4.5404 4.5765 4.8956 4.9078 6.3370 6.3372 6.3868 6.3972 6.7769 6.7778 7.3237 7.3264 7.3426 7.3438 8.9485 8.9859 k = 0.0100 0.0100 0.3515 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4082 -5.4082 -5.3952 -5.3943 -3.1681 -3.1672 -3.0368 -3.0261 -2.5199 -2.5099 -2.4557 -2.4541 -2.3225 -2.3217 2.1328 2.1420 3.3173 3.3376 3.4657 3.4773 3.7321 3.7643 4.5546 4.5727 4.9052 4.9114 6.3359 6.3361 6.3901 6.3953 6.7761 6.7766 7.3297 7.3312 7.3415 7.3420 8.9520 8.9758 k = 0.0000 0.0000 0.3515 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0407 -37.0407 -36.0470 -36.0470 -35.9770 -35.9770 -5.4086 -5.4086 -5.3951 -5.3951 -3.1678 -3.1678 -3.0316 -3.0316 -2.5150 -2.5150 -2.4550 -2.4550 -2.3222 -2.3222 2.1387 2.1387 3.3380 3.3380 3.4648 3.4648 3.7470 3.7470 4.5654 4.5654 4.9105 4.9105 6.3356 6.3356 6.3929 6.3929 6.7760 6.7760 7.3313 7.3313 7.3422 7.3422 8.9612 8.9612 k = 0.0000 0.5000-0.0000 ( 4898 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2377 -5.2377 -5.2187 -5.2187 -3.1216 -3.1216 -2.9059 -2.9059 -2.4988 -2.4988 -2.3410 -2.3410 -2.1894 -2.1894 1.3662 1.3662 2.5194 2.5194 3.0496 3.0496 3.5401 3.5401 4.0870 4.0870 4.4618 4.4618 6.3927 6.3927 6.6005 6.6005 6.6051 6.6051 6.6861 6.6861 7.3883 7.3883 9.0070 9.0070 k = 0.0000 0.5000 0.0141 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2377 -5.2377 -5.2186 -5.2186 -3.1216 -3.1216 -2.9059 -2.9059 -2.4987 -2.4987 -2.3410 -2.3410 -2.1893 -2.1893 1.3640 1.3640 2.5110 2.5110 3.0582 3.0582 3.5435 3.5435 4.0872 4.0872 4.4624 4.4624 6.3923 6.3923 6.6000 6.6000 6.6073 6.6073 6.6859 6.6859 7.3887 7.3887 9.0038 9.0038 k = 0.0000 0.5000 0.0281 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0477 -36.0477 -35.9770 -35.9770 -5.2377 -5.2377 -5.2185 -5.2185 -3.1214 -3.1214 -2.9058 -2.9058 -2.4985 -2.4985 -2.3409 -2.3409 -2.1889 -2.1889 1.3573 1.3573 2.4874 2.4874 3.0826 3.0826 3.5536 3.5536 4.0877 4.0877 4.4640 4.4640 6.3913 6.3913 6.5995 6.5995 6.6129 6.6129 6.6854 6.6854 7.3899 7.3899 8.9942 8.9942 k = 0.0000 0.5000 0.0422 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2376 -5.2376 -5.2182 -5.2182 -3.1213 -3.1213 -2.9056 -2.9056 -2.4983 -2.4983 -2.3408 -2.3408 -2.1882 -2.1882 1.3464 1.3464 2.4521 2.4521 3.1190 3.1190 3.5702 3.5702 4.0887 4.0887 4.4667 4.4667 6.3898 6.3898 6.5991 6.5991 6.6209 6.6209 6.6851 6.6851 7.3919 7.3919 8.9781 8.9781 k = 0.0000 0.5000 0.0562 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2376 -5.2376 -5.2179 -5.2179 -3.1211 -3.1211 -2.9053 -2.9053 -2.4979 -2.4979 -2.3406 -2.3406 -2.1872 -2.1872 1.3316 1.3316 2.4091 2.4091 3.1637 3.1637 3.5928 3.5928 4.0902 4.0902 4.4705 4.4705 6.3879 6.3879 6.5988 6.5988 6.6305 6.6305 6.6860 6.6860 7.3946 7.3946 8.9558 8.9558 k = 0.0000 0.5000 0.0703 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2375 -5.2375 -5.2175 -5.2175 -3.1209 -3.1209 -2.9050 -2.9050 -2.4975 -2.4975 -2.3404 -2.3404 -2.1861 -2.1861 1.3134 1.3134 2.3613 2.3613 3.2135 3.2135 3.6208 3.6208 4.0922 4.0922 4.4754 4.4754 6.3858 6.3858 6.5985 6.5985 6.6395 6.6395 6.6902 6.6902 7.3981 7.3981 8.9272 8.9272 k = 0.0000 0.5000 0.0844 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2374 -5.2374 -5.2170 -5.2170 -3.1206 -3.1206 -2.9046 -2.9046 -2.4970 -2.4970 -2.3401 -2.3401 -2.1846 -2.1846 1.2922 1.2922 2.3109 2.3109 3.2662 3.2662 3.6533 3.6533 4.0950 4.0950 4.4813 4.4813 6.3836 6.3836 6.5980 6.5980 6.6449 6.6449 6.7006 6.7006 7.4023 7.4023 8.8926 8.8926 k = 0.0000 0.5000 0.0984 ( 4888 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2373 -5.2373 -5.2165 -5.2165 -3.1203 -3.1203 -2.9042 -2.9042 -2.4964 -2.4964 -2.3398 -2.3398 -2.1830 -2.1830 1.2685 1.2685 2.2593 2.2593 3.3203 3.3203 3.6896 3.6896 4.0985 4.0985 4.4881 4.4881 6.3813 6.3813 6.5972 6.5972 6.6460 6.6460 6.7181 6.7181 7.4071 7.4071 8.8524 8.8524 k = 0.0000 0.5000 0.1125 ( 4892 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2372 -5.2372 -5.2158 -5.2158 -3.1200 -3.1200 -2.9037 -2.9037 -2.4958 -2.4958 -2.3394 -2.3394 -2.1812 -2.1812 1.2430 1.2430 2.2076 2.2076 3.3746 3.3746 3.7287 3.7287 4.1032 4.1032 4.4960 4.4960 6.3792 6.3792 6.5958 6.5958 6.6447 6.6447 6.7410 6.7410 7.4125 7.4125 8.8069 8.8069 k = 0.0000 0.5000 0.1265 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2371 -5.2371 -5.2152 -5.2152 -3.1196 -3.1196 -2.9033 -2.9033 -2.4951 -2.4951 -2.3391 -2.3391 -2.1792 -2.1792 1.2162 1.2162 2.1566 2.1566 3.4282 3.4282 3.7695 3.7695 4.1093 4.1093 4.5048 4.5048 6.3773 6.3773 6.5935 6.5935 6.6424 6.6424 6.7680 6.7680 7.4184 7.4184 8.7567 8.7567 k = 0.0000 0.5000 0.1406 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2370 -5.2370 -5.2145 -5.2145 -3.1192 -3.1192 -2.9027 -2.9027 -2.4944 -2.4944 -2.3387 -2.3387 -2.1771 -2.1771 1.1885 1.1885 2.1068 2.1068 3.4803 3.4803 3.8109 3.8109 4.1172 4.1172 4.5146 4.5146 6.3756 6.3756 6.5902 6.5902 6.6402 6.6402 6.7983 6.7983 7.4246 7.4246 8.7026 8.7026 k = 0.0000 0.5000 0.1547 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2369 -5.2369 -5.2137 -5.2137 -3.1188 -3.1188 -2.9021 -2.9021 -2.4936 -2.4936 -2.3383 -2.3383 -2.1748 -2.1748 1.1606 1.1606 2.0587 2.0587 3.5305 3.5305 3.8516 3.8516 4.1274 4.1274 4.5252 4.5252 6.3742 6.3742 6.5856 6.5856 6.6389 6.6389 6.8311 6.8311 7.4313 7.4313 8.6453 8.6453 k = 0.0000 0.5000 0.1687 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2368 -5.2368 -5.2129 -5.2129 -3.1183 -3.1183 -2.9016 -2.9016 -2.4928 -2.4928 -2.3379 -2.3379 -2.1725 -2.1725 1.1327 1.1327 2.0127 2.0127 3.5780 3.5780 3.8902 3.8902 4.1408 4.1408 4.5367 4.5367 6.3730 6.3730 6.5798 6.5798 6.6385 6.6385 6.8662 6.8662 7.4382 7.4382 8.5857 8.5857 k = 0.0000 0.5000 0.1828 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2367 -5.2367 -5.2121 -5.2121 -3.1179 -3.1179 -2.9010 -2.9010 -2.4920 -2.4920 -2.3375 -2.3375 -2.1701 -2.1701 1.1054 1.1054 1.9690 1.9690 3.6225 3.6225 3.9253 3.9253 4.1577 4.1577 4.5491 4.5491 6.3720 6.3720 6.5730 6.5730 6.6392 6.6392 6.9032 6.9032 7.4452 7.4452 8.5248 8.5248 k = 0.0000 0.5000 0.1968 ( 4886 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2365 -5.2365 -5.2114 -5.2114 -3.1175 -3.1175 -2.9004 -2.9004 -2.4912 -2.4912 -2.3371 -2.3371 -2.1677 -2.1677 1.0791 1.0791 1.9280 1.9280 3.6635 3.6635 3.9559 3.9559 4.1785 4.1785 4.5621 4.5621 6.3712 6.3712 6.5656 6.5656 6.6407 6.6407 6.9415 6.9415 7.4523 7.4523 8.4635 8.4635 k = 0.0000 0.5000 0.2109 ( 4886 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2364 -5.2364 -5.2106 -5.2106 -3.1170 -3.1170 -2.8999 -2.8999 -2.4904 -2.4904 -2.3368 -2.3368 -2.1654 -2.1654 1.0539 1.0539 1.8898 1.8898 3.7007 3.7007 3.9817 3.9817 4.2028 4.2028 4.5759 4.5759 6.3706 6.3706 6.5579 6.5579 6.6430 6.6430 6.9807 6.9807 7.4594 7.4594 8.4028 8.4028 k = 0.0000 0.5000 0.2250 ( 4894 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2363 -5.2363 -5.2099 -5.2099 -3.1167 -3.1167 -2.8994 -2.8994 -2.4897 -2.4897 -2.3364 -2.3364 -2.1632 -2.1632 1.0304 1.0304 1.8547 1.8547 3.7339 3.7339 4.0031 4.0031 4.2295 4.2295 4.5902 4.5902 6.3701 6.3701 6.5501 6.5501 6.6459 6.6459 7.0201 7.0201 7.4663 7.4663 8.3437 8.3437 k = 0.0000 0.5000 0.2390 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2363 -5.2363 -5.2092 -5.2092 -3.1163 -3.1163 -2.8989 -2.8989 -2.4889 -2.4889 -2.3361 -2.3361 -2.1610 -2.1610 1.0086 1.0086 1.8228 1.8228 3.7630 3.7630 4.0208 4.0208 4.2570 4.2570 4.6048 4.6048 6.3698 6.3698 6.5425 6.5425 6.6492 6.6492 7.0592 7.0592 7.4731 7.4731 8.2872 8.2872 k = 0.0000 0.5000 0.2531 ( 4890 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2362 -5.2362 -5.2085 -5.2085 -3.1159 -3.1159 -2.8984 -2.8984 -2.4883 -2.4883 -2.3357 -2.3357 -2.1590 -2.1590 0.9889 0.9889 1.7943 1.7943 3.7878 3.7878 4.0356 4.0356 4.2839 4.2839 4.6196 4.6196 6.3696 6.3696 6.5353 6.5353 6.6528 6.6528 7.0970 7.0970 7.4796 7.4796 8.2342 8.2342 k = 0.0000 0.5000 0.2671 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0411 -37.0411 -36.0478 -36.0478 -35.9770 -35.9770 -5.2361 -5.2361 -5.2080 -5.2080 -3.1157 -3.1157 -2.8981 -2.8981 -2.4877 -2.4877 -2.3355 -2.3355 -2.1572 -2.1572 0.9715 0.9715 1.7693 1.7693 3.8086 3.8086 4.0481 4.0481 4.3087 4.3087 4.6341 4.6341 6.3694 6.3694 6.5287 6.5287 6.6565 6.6565 7.1327 7.1327 7.4857 7.4857 8.1857 8.1857 k = 0.0000 0.5000 0.2812 ( 4914 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2360 -5.2360 -5.2075 -5.2075 -3.1154 -3.1154 -2.8978 -2.8978 -2.4873 -2.4873 -2.3353 -2.3353 -2.1556 -2.1556 0.9564 0.9564 1.7480 1.7480 3.8254 3.8254 4.0588 4.0588 4.3307 4.3307 4.6479 4.6479 6.3693 6.3693 6.5229 6.5229 6.6601 6.6601 7.1652 7.1652 7.4913 7.4913 8.1428 8.1428 k = 0.0000 0.5000 0.2953 ( 4932 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2360 -5.2360 -5.2070 -5.2070 -3.1153 -3.1153 -2.8976 -2.8976 -2.4869 -2.4869 -2.3352 -2.3352 -2.1543 -2.1543 0.9439 0.9439 1.7304 1.7304 3.8386 3.8386 4.0677 4.0677 4.3490 4.3490 4.6603 4.6603 6.3693 6.3693 6.5179 6.5179 6.6634 6.6634 7.1937 7.1937 7.4962 7.4962 8.1062 8.1062 k = 0.0000 0.5000 0.3093 ( 4928 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2067 -5.2067 -3.1152 -3.1152 -2.8973 -2.8973 -2.4866 -2.4866 -2.3350 -2.3350 -2.1532 -2.1532 0.9341 0.9341 1.7167 1.7167 3.8485 3.8485 4.0747 4.0747 4.3635 4.3635 4.6707 4.6707 6.3693 6.3693 6.5140 6.5140 6.6663 6.6663 7.2170 7.2170 7.5004 7.5004 8.0768 8.0768 k = 0.0000 0.5000 0.3234 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2065 -5.2065 -3.1150 -3.1150 -2.8971 -2.8971 -2.4863 -2.4863 -2.3348 -2.3348 -2.1524 -2.1524 0.9270 0.9270 1.7068 1.7068 3.8553 3.8553 4.0799 4.0799 4.3739 4.3739 4.6787 4.6787 6.3694 6.3694 6.5111 6.5111 6.6686 6.6686 7.2344 7.2344 7.5037 7.5037 8.0552 8.0552 k = 0.0000 0.5000 0.3374 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2063 -5.2063 -3.1149 -3.1149 -2.8970 -2.8970 -2.4862 -2.4862 -2.3347 -2.3347 -2.1519 -2.1519 0.9227 0.9227 1.7008 1.7008 3.8593 3.8593 4.0831 4.0831 4.3801 4.3801 4.6837 4.6837 6.3694 6.3694 6.5094 6.5094 6.6700 6.6700 7.2451 7.2451 7.5057 7.5057 8.0421 8.0421 k = 0.0000 0.5000 0.3515 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0412 -37.0412 -36.0478 -36.0478 -35.9771 -35.9771 -5.2359 -5.2359 -5.2063 -5.2063 -3.1149 -3.1149 -2.8970 -2.8970 -2.4861 -2.4861 -2.3347 -2.3347 -2.1517 -2.1517 0.9213 0.9213 1.6989 1.6989 3.8607 3.8607 4.0841 4.0841 4.3822 4.3822 4.6854 4.6854 6.3694 6.3694 6.5088 6.5088 6.6705 6.6705 7.2487 7.2487 7.5064 7.5064 8.0376 8.0376 k = 0.5000 0.5000-0.0000 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0499 -5.0499 -3.0476 -3.0476 -2.8391 -2.8391 -2.4468 -2.4468 -2.1881 -2.1881 -2.1011 -2.1011 0.8021 0.8021 2.1915 2.1915 3.4386 3.4386 3.4466 3.4466 3.7320 3.7320 3.8765 3.8765 5.8628 5.8628 6.2851 6.2851 6.3014 6.3014 6.4801 6.4801 6.6861 6.6861 8.9275 8.9275 k = 0.5000 0.5000 0.0141 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0499 -5.0499 -3.0476 -3.0476 -2.8391 -2.8391 -2.4468 -2.4468 -2.1881 -2.1881 -2.1010 -2.1010 0.8030 0.8030 2.1922 2.1922 3.4317 3.4317 3.4500 3.4500 3.7292 3.7292 3.8751 3.8751 5.8672 5.8672 6.2850 6.2850 6.3015 6.3015 6.4801 6.4801 6.6853 6.6853 8.9318 8.9318 k = 0.5000 0.5000 0.0281 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0500 -5.0500 -3.0476 -3.0476 -2.8390 -2.8390 -2.4468 -2.4468 -2.1879 -2.1879 -2.1008 -2.1008 0.8055 0.8055 2.1945 2.1945 3.4184 3.4184 3.4527 3.4527 3.7209 3.7209 3.8710 3.8710 5.8801 5.8801 6.2849 6.2849 6.3017 6.3017 6.4802 6.4802 6.6828 6.6828 8.9447 8.9447 k = 0.5000 0.5000 0.0422 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0500 -5.0500 -3.0476 -3.0476 -2.8388 -2.8388 -2.4468 -2.4468 -2.1876 -2.1876 -2.1005 -2.1005 0.8098 0.8098 2.1981 2.1981 3.4007 3.4007 3.4527 3.4527 3.7077 3.7077 3.8640 3.8640 5.9011 5.9011 6.2846 6.2846 6.3022 6.3022 6.4804 6.4804 6.6787 6.6787 8.9662 8.9662 k = 0.5000 0.5000 0.0562 ( 4912 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0747 -5.0747 -5.0501 -5.0501 -3.0475 -3.0475 -2.8385 -2.8385 -2.4467 -2.4467 -2.1871 -2.1871 -2.1000 -2.1000 0.8158 0.8158 2.2032 2.2032 3.3786 3.3786 3.4499 3.4499 3.6907 3.6907 3.8545 3.8545 5.9294 5.9294 6.2842 6.2842 6.3028 6.3028 6.4807 6.4807 6.6732 6.6732 8.9961 8.9961 k = 0.5000 0.5000 0.0703 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0748 -5.0748 -5.0503 -5.0503 -3.0474 -3.0474 -2.8382 -2.8382 -2.4467 -2.4467 -2.1865 -2.1865 -2.0994 -2.0994 0.8234 0.8234 2.2097 2.2097 3.3519 3.3519 3.4444 3.4444 3.6709 3.6709 3.8423 3.8423 5.9641 5.9641 6.2837 6.2837 6.3035 6.3035 6.4810 6.4810 6.6665 6.6665 9.0343 9.0343 k = 0.5000 0.5000 0.0844 ( 4920 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0748 -5.0748 -5.0504 -5.0504 -3.0474 -3.0474 -2.8377 -2.8377 -2.4466 -2.4466 -2.1858 -2.1858 -2.0986 -2.0986 0.8326 0.8326 2.2176 2.2176 3.3205 3.3205 3.4365 3.4365 3.6495 3.6495 3.8277 3.8277 6.0040 6.0040 6.2833 6.2833 6.3044 6.3044 6.4814 6.4814 6.6586 6.6586 9.0806 9.0806 k = 0.5000 0.5000 0.0984 ( 4904 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0748 -5.0748 -5.0505 -5.0505 -3.0472 -3.0472 -2.8370 -2.8370 -2.4465 -2.4465 -2.1849 -2.1849 -2.0976 -2.0976 0.8433 0.8433 2.2269 2.2269 3.2845 3.2845 3.4264 3.4264 3.6275 3.6275 3.8109 3.8109 6.0481 6.0481 6.2829 6.2829 6.3055 6.3055 6.4820 6.4820 6.6499 6.6499 9.1347 9.1347 k = 0.5000 0.5000 0.1125 ( 4888 PWs) bands (ev): -64.9718 -64.9718 -37.0415 -37.0415 -36.0484 -36.0484 -35.9770 -35.9770 -5.0749 -5.0749 -5.0507 -5.0507 -3.0471 -3.0471 -2.8364 -2.8364 -2.4463 -2.4463 -2.1840 -2.1840 -2.0966 -2.0966 0.8554 0.8554 2.2374 2.2374 3.2443 3.2443 3.4143 3.4143 3.6056 3.6056 3.7921 3.7921 6.0951 6.0951 6.2824 6.2824 6.3069 6.3069 6.4825 6.4825 6.6405 6.6405 9.1964 9.1964 k = 0.5000 0.5000 0.1265 ( 4896 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0749 -5.0749 -5.0509 -5.0509 -3.0469 -3.0469 -2.8359 -2.8359 -2.4462 -2.4462 -2.1830 -2.1830 -2.0955 -2.0955 0.8689 0.8689 2.2491 2.2491 3.2003 3.2003 3.4005 3.4005 3.5845 3.5845 3.7716 3.7716 6.1436 6.1436 6.2820 6.2820 6.3088 6.3088 6.4831 6.4831 6.6306 6.6306 9.2652 9.2652 k = 0.5000 0.5000 0.1406 ( 4880 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0749 -5.0749 -5.0511 -5.0511 -3.0467 -3.0467 -2.8352 -2.8352 -2.4460 -2.4460 -2.1819 -2.1819 -2.0943 -2.0943 0.8835 0.8835 2.2620 2.2620 3.1533 3.1533 3.3852 3.3852 3.5644 3.5644 3.7497 3.7497 6.1921 6.1921 6.2817 6.2817 6.3117 6.3117 6.4838 6.4838 6.6206 6.6206 9.3408 9.3408 k = 0.5000 0.5000 0.1547 ( 4876 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0750 -5.0750 -5.0513 -5.0513 -3.0466 -3.0466 -2.8345 -2.8345 -2.4458 -2.4458 -2.1809 -2.1809 -2.0931 -2.0931 0.8992 0.8992 2.2759 2.2759 3.1040 3.1040 3.3688 3.3688 3.5455 3.5455 3.7266 3.7266 6.2376 6.2376 6.2815 6.2815 6.3176 6.3176 6.4846 6.4846 6.6104 6.6104 9.4225 9.4225 k = 0.5000 0.5000 0.1687 ( 4892 PWs) bands (ev): -64.9718 -64.9718 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0750 -5.0750 -5.0515 -5.0515 -3.0465 -3.0465 -2.8339 -2.8339 -2.4458 -2.4458 -2.1798 -2.1798 -2.0920 -2.0920 0.9158 0.9158 2.2908 2.2908 3.0531 3.0531 3.3514 3.3514 3.5279 3.5279 3.7028 3.7028 6.2716 6.2716 6.2823 6.2823 6.3329 6.3329 6.4854 6.4854 6.6003 6.6003 9.5091 9.5091 k = 0.5000 0.5000 0.1828 ( 4884 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0751 -5.0751 -5.0517 -5.0517 -3.0463 -3.0463 -2.8331 -2.8331 -2.4456 -2.4456 -2.1787 -2.1787 -2.0907 -2.0907 0.9330 0.9330 2.3065 2.3065 3.0017 3.0017 3.3335 3.3335 3.5117 3.5117 3.6785 3.6785 6.2792 6.2792 6.2915 6.2915 6.3649 6.3649 6.4865 6.4865 6.5905 6.5905 9.5986 9.5986 k = 0.5000 0.5000 0.1968 ( 4884 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0751 -5.0751 -5.0519 -5.0519 -3.0462 -3.0462 -2.8324 -2.8324 -2.4455 -2.4455 -2.1776 -2.1776 -2.0895 -2.0895 0.9507 0.9507 2.3230 2.3230 2.9502 2.9502 3.3153 3.3153 3.4968 3.4968 3.6542 3.6542 6.2794 6.2794 6.2973 6.2973 6.4051 6.4051 6.4880 6.4880 6.5812 6.5812 9.6867 9.6867 k = 0.5000 0.5000 0.2109 ( 4880 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0752 -5.0752 -5.0521 -5.0521 -3.0461 -3.0461 -2.8317 -2.8317 -2.4453 -2.4453 -2.1765 -2.1765 -2.0883 -2.0883 0.9686 0.9686 2.3401 2.3401 2.8996 2.8996 3.2971 3.2971 3.4833 3.4833 3.6301 3.6301 6.2792 6.2792 6.3001 6.3001 6.4446 6.4446 6.4907 6.4907 6.5726 6.5726 9.7684 9.7684 k = 0.5000 0.5000 0.2250 ( 4892 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0752 -5.0752 -5.0524 -5.0524 -3.0460 -3.0460 -2.8311 -2.8311 -2.4452 -2.4452 -2.1755 -2.1755 -2.0872 -2.0872 0.9864 0.9864 2.3576 2.3576 2.8504 2.8504 3.2791 3.2791 3.4713 3.4713 3.6067 3.6067 6.2789 6.2789 6.3017 6.3017 6.4752 6.4752 6.4996 6.4996 6.5654 6.5654 9.8434 9.8434 k = 0.5000 0.5000 0.2390 ( 4900 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0484 -36.0484 -35.9771 -35.9771 -5.0753 -5.0753 -5.0526 -5.0526 -3.0458 -3.0458 -2.8306 -2.8306 -2.4451 -2.4451 -2.1746 -2.1746 -2.0862 -2.0862 1.0038 1.0038 2.3755 2.3755 2.8031 2.8031 3.2618 3.2618 3.4607 3.4607 3.5842 3.5842 6.2787 6.2787 6.3027 6.3027 6.4852 6.4852 6.5226 6.5226 6.5623 6.5623 9.9144 9.9144 k = 0.5000 0.5000 0.2531 ( 4880 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0753 -5.0753 -5.0527 -5.0527 -3.0457 -3.0457 -2.8299 -2.8299 -2.4450 -2.4450 -2.1736 -2.1736 -2.0851 -2.0851 1.0204 1.0204 2.3935 2.3935 2.7584 2.7584 3.2453 3.2453 3.4518 3.4518 3.5630 3.5630 6.2785 6.2785 6.3035 6.3035 6.4883 6.4883 6.5352 6.5352 6.5738 6.5738 9.9828 9.9828 k = 0.5000 0.5000 0.2671 ( 4880 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0753 -5.0753 -5.0529 -5.0529 -3.0456 -3.0456 -2.8293 -2.8293 -2.4449 -2.4449 -2.1728 -2.1728 -2.0842 -2.0842 1.0359 1.0359 2.4117 2.4117 2.7165 2.7165 3.2301 3.2301 3.4444 3.4444 3.5434 3.5434 6.2783 6.2783 6.3041 6.3041 6.4904 6.4904 6.5334 6.5334 6.5974 6.5974 10.0482 10.0482 k = 0.5000 0.5000 0.2812 ( 4888 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0754 -5.0754 -5.0530 -5.0530 -3.0456 -3.0456 -2.8289 -2.8289 -2.4448 -2.4448 -2.1721 -2.1721 -2.0834 -2.0834 1.0499 1.0499 2.4299 2.4299 2.6778 2.6778 3.2164 3.2164 3.4386 3.4386 3.5257 3.5257 6.2782 6.2782 6.3045 6.3045 6.4923 6.4923 6.5287 6.5287 6.6207 6.6207 10.1093 10.1093 k = 0.5000 0.5000 0.2953 ( 4888 PWs) bands (ev): -64.9718 -64.9718 -37.0414 -37.0414 -36.0484 -36.0484 -35.9770 -35.9770 -5.0754 -5.0754 -5.0531 -5.0531 -3.0455 -3.0455 -2.8285 -2.8285 -2.4448 -2.4448 -2.1715 -2.1715 -2.0828 -2.0828 1.0620 1.0620 2.4481 2.4481 2.6426 2.6426 3.2046 3.2046 3.4345 3.4345 3.5103 3.5103 6.2781 6.2781 6.3048 6.3048 6.4943 6.4943 6.5236 6.5236 6.6408 6.6408 10.1642 10.1642 k = 0.5000 0.5000 0.3093 ( 4928 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0754 -5.0754 -5.0533 -5.0533 -3.0456 -3.0456 -2.8284 -2.8284 -2.4448 -2.4448 -2.1712 -2.1712 -2.0825 -2.0825 1.0718 1.0718 2.4664 2.4664 2.6109 2.6109 3.1949 3.1949 3.4318 3.4318 3.4975 3.4975 6.2779 6.2779 6.3050 6.3050 6.4963 6.4963 6.5189 6.5189 6.6566 6.6566 10.2106 10.2106 k = 0.5000 0.5000 0.3234 ( 4944 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0755 -5.0755 -5.0533 -5.0533 -3.0456 -3.0456 -2.8282 -2.8282 -2.4449 -2.4449 -2.1709 -2.1709 -2.0821 -2.0821 1.0791 1.0791 2.4848 2.4848 2.5829 2.5829 3.1878 3.1878 3.4303 3.4303 3.4877 3.4877 6.2778 6.2778 6.3051 6.3051 6.4985 6.4985 6.5147 6.5147 6.6681 6.6681 10.2460 10.2460 k = 0.5000 0.5000 0.3374 ( 4944 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0755 -5.0755 -5.0534 -5.0534 -3.0456 -3.0456 -2.8281 -2.8281 -2.4449 -2.4449 -2.1707 -2.1707 -2.0819 -2.0819 1.0836 1.0836 2.5025 2.5025 2.5594 2.5594 3.1835 3.1835 3.4297 3.4297 3.4815 3.4815 6.2777 6.2777 6.3052 6.3052 6.5006 6.5006 6.5114 6.5114 6.6750 6.6750 10.2683 10.2683 k = 0.5000 0.5000 0.3515 ( 4936 PWs) bands (ev): -64.9719 -64.9719 -37.0415 -37.0415 -36.0485 -36.0485 -35.9771 -35.9771 -5.0755 -5.0755 -5.0534 -5.0534 -3.0456 -3.0456 -2.8280 -2.8280 -2.4448 -2.4448 -2.1706 -2.1706 -2.0818 -2.0818 1.0851 1.0851 2.5128 2.5128 2.5472 2.5472 3.1820 3.1820 3.4296 3.4296 3.4794 3.4794 6.2777 6.2777 6.3052 6.3052 6.5016 6.5016 6.5100 6.5100 6.6773 6.6773 10.2759 10.2759 Writing output data file CrCdTe2.save init_run : 3.33s CPU 13.14s WALL ( 1 calls) electrons : 615.86s CPU 637.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 615.81s CPU 635.61s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.98s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.10s CPU 0.62s WALL ( 1 calls) newd : 0.47s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 2.72s WALL ( 328 calls) cegterg : 582.14s CPU 590.36s WALL ( 749 calls) Called by sum_band: Called by *egterg: h_psi : 307.72s CPU 317.18s WALL ( 12378 calls) s_psi : 18.78s CPU 19.02s WALL ( 12378 calls) g_psi : 0.77s CPU 1.33s WALL ( 11301 calls) cdiaghg : 176.10s CPU 174.33s WALL ( 11629 calls) cegterg:over : 49.76s CPU 47.96s WALL ( 11301 calls) cegterg:upda : 10.58s CPU 13.66s WALL ( 11301 calls) cegterg:last : 9.79s CPU 10.61s WALL ( 2116 calls) Called by h_psi: h_psi:vloc : 263.89s CPU 271.42s WALL ( 12378 calls) h_psi:vnl : 43.50s CPU 44.84s WALL ( 12378 calls) add_vuspsi : 13.38s CPU 16.37s WALL ( 12378 calls) General routines calbec : 30.06s CPU 28.04s WALL ( 12378 calls) fft : 0.34s CPU 1.46s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 233.42s CPU 237.20s WALL ( 1186672 calls) interpolate : 0.04s CPU 0.10s WALL ( 4 calls) davcio : 0.07s CPU 3.81s WALL ( 656 calls) Parallel routines fft_scatter : 147.82s CPU 143.92s WALL ( 1186695 calls) PWSCF : 11m 9.41s CPU 12m50.07s WALL This run was terminated on: 9:54: 4 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=