Program PWSCF v.5.1.1 starts on 8Oct2015 at 16:38:29 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: ./Ga2BiAs.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 28 20 6 1134 706 112 Max 29 21 7 1143 721 119 Sum 1369 1005 293 54587 34271 5511 bravais-lattice index = 14 lattice parameter (alat) = 8.5052 a.u. unit-cell volume = 870.0851 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.505155 celldm(2)= 1.000000 celldm(3)= 1.414214 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 1.414214 ) 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 0.707107 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Bi 5.00 208.98040 Bi( 1.00) Ga 13.00 69.72300 Ga( 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= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0030864 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030864 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0030864 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0030864 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0030864 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030864 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0030864 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0030864 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0030864 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0030864 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030864 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0030864 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0030864 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0030864 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0030864 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030864 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0030864 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0030864 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0030864 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0030864 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030864 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0030864 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0030864 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0030864 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030864 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0030864 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0030864 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0030864 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0030864 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030864 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030864 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0030864 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0030864 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0030864 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0030864 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030864 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0030864 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0030864 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0030864 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0030864 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030864 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0030864 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0030864 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0030864 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0030864 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030864 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0030864 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0030864 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0030864 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0030864 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030864 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0030864 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0030864 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0030864 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0030864 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030864 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0030864 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0030864 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0030864 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0030864 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030864 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0030864 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0030864 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0030864 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0030864 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0030864 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0030864 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0030864 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0030864 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030864 k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0030864 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0030864 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0030864 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0030864 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030864 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0030864 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0030864 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0030864 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0030864 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030864 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0030864 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0030864 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0030864 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0030864 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030864 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0030864 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0030864 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0030864 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0030864 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030864 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0030864 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0030864 k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0030864 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0030864 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030864 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0030864 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0030864 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0030864 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0030864 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030864 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0030864 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0030864 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0030864 k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0030864 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030864 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0030864 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0030864 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0030864 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0030864 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030864 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0030864 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0030864 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0030864 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0030864 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 125) = ( 0.0000000 0.0000000 0.0141421), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.0282843), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.0424264), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.0565685), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.0707107), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.0848528), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.0989949), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.1131371), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.1272792), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.1414214), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.1555635), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.1697056), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.1838478), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.1979899), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.2121320), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.2262742), wk = 0.0030864 k( 141) = ( 0.0000000 0.0000000 0.2404163), wk = 0.0030864 k( 142) = ( 0.0000000 0.0000000 0.2545584), wk = 0.0030864 k( 143) = ( 0.0000000 0.0000000 0.2687006), wk = 0.0030864 k( 144) = ( 0.0000000 0.0000000 0.2828427), wk = 0.0030864 k( 145) = ( 0.0000000 0.0000000 0.2969848), wk = 0.0030864 k( 146) = ( 0.0000000 0.0000000 0.3111270), wk = 0.0030864 k( 147) = ( 0.0000000 0.0000000 0.3252691), wk = 0.0030864 k( 148) = ( 0.0000000 0.0000000 0.3394113), wk = 0.0030864 k( 149) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0030864 k( 150) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0030864 k( 151) = ( 0.0000000 0.0142857 0.3535534), wk = 0.0030864 k( 152) = ( 0.0000000 0.0285714 0.3535534), wk = 0.0030864 k( 153) = ( 0.0000000 0.0428571 0.3535534), wk = 0.0030864 k( 154) = ( 0.0000000 0.0571429 0.3535534), wk = 0.0030864 k( 155) = ( 0.0000000 0.0714286 0.3535534), wk = 0.0030864 k( 156) = ( 0.0000000 0.0857143 0.3535534), wk = 0.0030864 k( 157) = ( 0.0000000 0.1000000 0.3535534), wk = 0.0030864 k( 158) = ( 0.0000000 0.1142857 0.3535534), wk = 0.0030864 k( 159) = ( 0.0000000 0.1285714 0.3535534), wk = 0.0030864 k( 160) = ( 0.0000000 0.1428571 0.3535534), wk = 0.0030864 k( 161) = ( 0.0000000 0.1571429 0.3535534), wk = 0.0030864 k( 162) = ( 0.0000000 0.1714286 0.3535534), wk = 0.0030864 k( 163) = ( 0.0000000 0.1857143 0.3535534), wk = 0.0030864 k( 164) = ( 0.0000000 0.2000000 0.3535534), wk = 0.0030864 k( 165) = ( 0.0000000 0.2142857 0.3535534), wk = 0.0030864 k( 166) = ( 0.0000000 0.2285714 0.3535534), wk = 0.0030864 k( 167) = ( 0.0000000 0.2428571 0.3535534), wk = 0.0030864 k( 168) = ( 0.0000000 0.2571429 0.3535534), wk = 0.0030864 k( 169) = ( 0.0000000 0.2714286 0.3535534), wk = 0.0030864 k( 170) = ( 0.0000000 0.2857143 0.3535534), wk = 0.0030864 k( 171) = ( 0.0000000 0.3000000 0.3535534), wk = 0.0030864 k( 172) = ( 0.0000000 0.3142857 0.3535534), wk = 0.0030864 k( 173) = ( 0.0000000 0.3285714 0.3535534), wk = 0.0030864 k( 174) = ( 0.0000000 0.3428571 0.3535534), wk = 0.0030864 k( 175) = ( 0.0000000 0.3571429 0.3535534), wk = 0.0030864 k( 176) = ( 0.0000000 0.3714286 0.3535534), wk = 0.0030864 k( 177) = ( 0.0000000 0.3857143 0.3535534), wk = 0.0030864 k( 178) = ( 0.0000000 0.4000000 0.3535534), wk = 0.0030864 k( 179) = ( 0.0000000 0.4142857 0.3535534), wk = 0.0030864 k( 180) = ( 0.0000000 0.4285714 0.3535534), wk = 0.0030864 k( 181) = ( 0.0000000 0.4428571 0.3535534), wk = 0.0030864 k( 182) = ( 0.0000000 0.4571429 0.3535534), wk = 0.0030864 k( 183) = ( 0.0000000 0.4714286 0.3535534), wk = 0.0030864 k( 184) = ( 0.0000000 0.4857143 0.3535534), wk = 0.0030864 k( 185) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0030864 k( 186) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0030864 k( 187) = ( 0.0142857 0.5000000 0.3535534), wk = 0.0030864 k( 188) = ( 0.0285714 0.5000000 0.3535534), wk = 0.0030864 k( 189) = ( 0.0428571 0.5000000 0.3535534), wk = 0.0030864 k( 190) = ( 0.0571429 0.5000000 0.3535534), wk = 0.0030864 k( 191) = ( 0.0714286 0.5000000 0.3535534), wk = 0.0030864 k( 192) = ( 0.0857143 0.5000000 0.3535534), wk = 0.0030864 k( 193) = ( 0.1000000 0.5000000 0.3535534), wk = 0.0030864 k( 194) = ( 0.1142857 0.5000000 0.3535534), wk = 0.0030864 k( 195) = ( 0.1285714 0.5000000 0.3535534), wk = 0.0030864 k( 196) = ( 0.1428571 0.5000000 0.3535534), wk = 0.0030864 k( 197) = ( 0.1571429 0.5000000 0.3535534), wk = 0.0030864 k( 198) = ( 0.1714286 0.5000000 0.3535534), wk = 0.0030864 k( 199) = ( 0.1857143 0.5000000 0.3535534), wk = 0.0030864 k( 200) = ( 0.2000000 0.5000000 0.3535534), wk = 0.0030864 k( 201) = ( 0.2142857 0.5000000 0.3535534), wk = 0.0030864 k( 202) = ( 0.2285714 0.5000000 0.3535534), wk = 0.0030864 k( 203) = ( 0.2428571 0.5000000 0.3535534), wk = 0.0030864 k( 204) = ( 0.2571429 0.5000000 0.3535534), wk = 0.0030864 k( 205) = ( 0.2714286 0.5000000 0.3535534), wk = 0.0030864 k( 206) = ( 0.2857143 0.5000000 0.3535534), wk = 0.0030864 k( 207) = ( 0.3000000 0.5000000 0.3535534), wk = 0.0030864 k( 208) = ( 0.3142857 0.5000000 0.3535534), wk = 0.0030864 k( 209) = ( 0.3285714 0.5000000 0.3535534), wk = 0.0030864 k( 210) = ( 0.3428571 0.5000000 0.3535534), wk = 0.0030864 k( 211) = ( 0.3571429 0.5000000 0.3535534), wk = 0.0030864 k( 212) = ( 0.3714286 0.5000000 0.3535534), wk = 0.0030864 k( 213) = ( 0.3857143 0.5000000 0.3535534), wk = 0.0030864 k( 214) = ( 0.4000000 0.5000000 0.3535534), wk = 0.0030864 k( 215) = ( 0.4142857 0.5000000 0.3535534), wk = 0.0030864 k( 216) = ( 0.4285714 0.5000000 0.3535534), wk = 0.0030864 k( 217) = ( 0.4428571 0.5000000 0.3535534), wk = 0.0030864 k( 218) = ( 0.4571429 0.5000000 0.3535534), wk = 0.0030864 k( 219) = ( 0.4714286 0.5000000 0.3535534), wk = 0.0030864 k( 220) = ( 0.4857143 0.5000000 0.3535534), wk = 0.0030864 k( 221) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0030864 k( 222) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0030864 k( 223) = ( 0.4900000 0.4900000 0.3535534), wk = 0.0030864 k( 224) = ( 0.4800000 0.4800000 0.3535534), wk = 0.0030864 k( 225) = ( 0.4700000 0.4700000 0.3535534), wk = 0.0030864 k( 226) = ( 0.4600000 0.4600000 0.3535534), wk = 0.0030864 k( 227) = ( 0.4500000 0.4500000 0.3535534), wk = 0.0030864 k( 228) = ( 0.4400000 0.4400000 0.3535534), wk = 0.0030864 k( 229) = ( 0.4300000 0.4300000 0.3535534), wk = 0.0030864 k( 230) = ( 0.4200000 0.4200000 0.3535534), wk = 0.0030864 k( 231) = ( 0.4100000 0.4100000 0.3535534), wk = 0.0030864 k( 232) = ( 0.4000000 0.4000000 0.3535534), wk = 0.0030864 k( 233) = ( 0.3900000 0.3900000 0.3535534), wk = 0.0030864 k( 234) = ( 0.3800000 0.3800000 0.3535534), wk = 0.0030864 k( 235) = ( 0.3700000 0.3700000 0.3535534), wk = 0.0030864 k( 236) = ( 0.3600000 0.3600000 0.3535534), wk = 0.0030864 k( 237) = ( 0.3500000 0.3500000 0.3535534), wk = 0.0030864 k( 238) = ( 0.3400000 0.3400000 0.3535534), wk = 0.0030864 k( 239) = ( 0.3300000 0.3300000 0.3535534), wk = 0.0030864 k( 240) = ( 0.3200000 0.3200000 0.3535534), wk = 0.0030864 k( 241) = ( 0.3100000 0.3100000 0.3535534), wk = 0.0030864 k( 242) = ( 0.3000000 0.3000000 0.3535534), wk = 0.0030864 k( 243) = ( 0.2900000 0.2900000 0.3535534), wk = 0.0030864 k( 244) = ( 0.2800000 0.2800000 0.3535534), wk = 0.0030864 k( 245) = ( 0.2700000 0.2700000 0.3535534), wk = 0.0030864 k( 246) = ( 0.2600000 0.2600000 0.3535534), wk = 0.0030864 k( 247) = ( 0.2500000 0.2500000 0.3535534), wk = 0.0030864 k( 248) = ( 0.2400000 0.2400000 0.3535534), wk = 0.0030864 k( 249) = ( 0.2300000 0.2300000 0.3535534), wk = 0.0030864 k( 250) = ( 0.2200000 0.2200000 0.3535534), wk = 0.0030864 k( 251) = ( 0.2100000 0.2100000 0.3535534), wk = 0.0030864 k( 252) = ( 0.2000000 0.2000000 0.3535534), wk = 0.0030864 k( 253) = ( 0.1900000 0.1900000 0.3535534), wk = 0.0030864 k( 254) = ( 0.1800000 0.1800000 0.3535534), wk = 0.0030864 k( 255) = ( 0.1700000 0.1700000 0.3535534), wk = 0.0030864 k( 256) = ( 0.1600000 0.1600000 0.3535534), wk = 0.0030864 k( 257) = ( 0.1500000 0.1500000 0.3535534), wk = 0.0030864 k( 258) = ( 0.1400000 0.1400000 0.3535534), wk = 0.0030864 k( 259) = ( 0.1300000 0.1300000 0.3535534), wk = 0.0030864 k( 260) = ( 0.1200000 0.1200000 0.3535534), wk = 0.0030864 k( 261) = ( 0.1100000 0.1100000 0.3535534), wk = 0.0030864 k( 262) = ( 0.1000000 0.1000000 0.3535534), wk = 0.0030864 k( 263) = ( 0.0900000 0.0900000 0.3535534), wk = 0.0030864 k( 264) = ( 0.0800000 0.0800000 0.3535534), wk = 0.0030864 k( 265) = ( 0.0700000 0.0700000 0.3535534), wk = 0.0030864 k( 266) = ( 0.0600000 0.0600000 0.3535534), wk = 0.0030864 k( 267) = ( 0.0500000 0.0500000 0.3535534), wk = 0.0030864 k( 268) = ( 0.0400000 0.0400000 0.3535534), wk = 0.0030864 k( 269) = ( 0.0300000 0.0300000 0.3535534), wk = 0.0030864 k( 270) = ( 0.0200000 0.0200000 0.3535534), wk = 0.0030864 k( 271) = ( 0.0100000 0.0100000 0.3535534), wk = 0.0030864 k( 272) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0030864 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030864 k( 274) = ( 0.0000000 0.5000000 0.0141421), wk = 0.0030864 k( 275) = ( 0.0000000 0.5000000 0.0282843), wk = 0.0030864 k( 276) = ( 0.0000000 0.5000000 0.0424264), wk = 0.0030864 k( 277) = ( 0.0000000 0.5000000 0.0565685), wk = 0.0030864 k( 278) = ( 0.0000000 0.5000000 0.0707107), wk = 0.0030864 k( 279) = ( 0.0000000 0.5000000 0.0848528), wk = 0.0030864 k( 280) = ( 0.0000000 0.5000000 0.0989949), wk = 0.0030864 k( 281) = ( 0.0000000 0.5000000 0.1131371), wk = 0.0030864 k( 282) = ( 0.0000000 0.5000000 0.1272792), wk = 0.0030864 k( 283) = ( 0.0000000 0.5000000 0.1414214), wk = 0.0030864 k( 284) = ( 0.0000000 0.5000000 0.1555635), wk = 0.0030864 k( 285) = ( 0.0000000 0.5000000 0.1697056), wk = 0.0030864 k( 286) = ( 0.0000000 0.5000000 0.1838478), wk = 0.0030864 k( 287) = ( 0.0000000 0.5000000 0.1979899), wk = 0.0030864 k( 288) = ( 0.0000000 0.5000000 0.2121320), wk = 0.0030864 k( 289) = ( 0.0000000 0.5000000 0.2262742), wk = 0.0030864 k( 290) = ( 0.0000000 0.5000000 0.2404163), wk = 0.0030864 k( 291) = ( 0.0000000 0.5000000 0.2545584), wk = 0.0030864 k( 292) = ( 0.0000000 0.5000000 0.2687006), wk = 0.0030864 k( 293) = ( 0.0000000 0.5000000 0.2828427), wk = 0.0030864 k( 294) = ( 0.0000000 0.5000000 0.2969848), wk = 0.0030864 k( 295) = ( 0.0000000 0.5000000 0.3111270), wk = 0.0030864 k( 296) = ( 0.0000000 0.5000000 0.3252691), wk = 0.0030864 k( 297) = ( 0.0000000 0.5000000 0.3394113), wk = 0.0030864 k( 298) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0030864 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 300) = ( 0.5000000 0.5000000 0.0141421), wk = 0.0030864 k( 301) = ( 0.5000000 0.5000000 0.0282843), wk = 0.0030864 k( 302) = ( 0.5000000 0.5000000 0.0424264), wk = 0.0030864 k( 303) = ( 0.5000000 0.5000000 0.0565685), wk = 0.0030864 k( 304) = ( 0.5000000 0.5000000 0.0707107), wk = 0.0030864 k( 305) = ( 0.5000000 0.5000000 0.0848528), wk = 0.0030864 k( 306) = ( 0.5000000 0.5000000 0.0989949), wk = 0.0030864 k( 307) = ( 0.5000000 0.5000000 0.1131371), wk = 0.0030864 k( 308) = ( 0.5000000 0.5000000 0.1272792), wk = 0.0030864 k( 309) = ( 0.5000000 0.5000000 0.1414214), wk = 0.0030864 k( 310) = ( 0.5000000 0.5000000 0.1555635), wk = 0.0030864 k( 311) = ( 0.5000000 0.5000000 0.1697056), wk = 0.0030864 k( 312) = ( 0.5000000 0.5000000 0.1838478), wk = 0.0030864 k( 313) = ( 0.5000000 0.5000000 0.1979899), wk = 0.0030864 k( 314) = ( 0.5000000 0.5000000 0.2121320), wk = 0.0030864 k( 315) = ( 0.5000000 0.5000000 0.2262742), wk = 0.0030864 k( 316) = ( 0.5000000 0.5000000 0.2404163), wk = 0.0030864 k( 317) = ( 0.5000000 0.5000000 0.2545584), wk = 0.0030864 k( 318) = ( 0.5000000 0.5000000 0.2687006), wk = 0.0030864 k( 319) = ( 0.5000000 0.5000000 0.2828427), wk = 0.0030864 k( 320) = ( 0.5000000 0.5000000 0.2969848), wk = 0.0030864 k( 321) = ( 0.5000000 0.5000000 0.3111270), wk = 0.0030864 k( 322) = ( 0.5000000 0.5000000 0.3252691), wk = 0.0030864 k( 323) = ( 0.5000000 0.5000000 0.3394113), wk = 0.0030864 k( 324) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0030864 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0030864 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0030864 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0030864 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030864 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0030864 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0030864 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0030864 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030864 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0030864 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0030864 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0030864 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0030864 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030864 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0030864 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0030864 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0030864 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0030864 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030864 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0030864 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0030864 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0030864 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0030864 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030864 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0030864 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0030864 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0030864 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030864 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0030864 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0030864 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0030864 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0030864 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0030864 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0030864 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0030864 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0030864 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030864 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0030864 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0030864 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0030864 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030864 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0030864 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0030864 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0030864 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0030864 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030864 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0030864 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0030864 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0030864 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0030864 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0030864 k( 58) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0030864 k( 59) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0030864 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0030864 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0030864 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030864 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0030864 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0030864 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0030864 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0030864 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030864 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0030864 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0030864 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0030864 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0030864 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 74) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0030864 k( 75) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0030864 k( 76) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0030864 k( 77) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0030864 k( 78) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030864 k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0030864 k( 80) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0030864 k( 81) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0030864 k( 82) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0030864 k( 83) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0030864 k( 84) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0030864 k( 85) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0030864 k( 86) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0030864 k( 87) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0030864 k( 88) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030864 k( 89) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0030864 k( 90) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0030864 k( 91) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0030864 k( 92) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0030864 k( 93) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030864 k( 94) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0030864 k( 95) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0030864 k( 96) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0030864 k( 97) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0030864 k( 98) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030864 k( 99) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0030864 k( 100) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0030864 k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0030864 k( 102) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0030864 k( 103) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030864 k( 104) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0030864 k( 105) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0030864 k( 106) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0030864 k( 107) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0030864 k( 108) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030864 k( 109) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0030864 k( 110) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0030864 k( 111) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0030864 k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0030864 k( 113) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030864 k( 114) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0030864 k( 115) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0030864 k( 116) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0030864 k( 117) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0030864 k( 118) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0030864 k( 119) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0030864 k( 120) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0030864 k( 121) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0030864 k( 122) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0030864 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 125) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030864 k( 126) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030864 k( 127) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030864 k( 128) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030864 k( 129) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030864 k( 130) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030864 k( 131) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030864 k( 134) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030864 k( 135) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030864 k( 136) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030864 k( 137) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030864 k( 138) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030864 k( 139) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030864 k( 140) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030864 k( 141) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030864 k( 142) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030864 k( 143) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030864 k( 144) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030864 k( 145) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030864 k( 146) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030864 k( 147) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030864 k( 148) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030864 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 151) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0030864 k( 152) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0030864 k( 153) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0030864 k( 154) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0030864 k( 155) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0030864 k( 156) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0030864 k( 157) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0030864 k( 158) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0030864 k( 159) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0030864 k( 160) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0030864 k( 161) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0030864 k( 162) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0030864 k( 163) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0030864 k( 164) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0030864 k( 165) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0030864 k( 166) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0030864 k( 167) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0030864 k( 168) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0030864 k( 169) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0030864 k( 170) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0030864 k( 171) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0030864 k( 172) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0030864 k( 173) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0030864 k( 174) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0030864 k( 175) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0030864 k( 176) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0030864 k( 177) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0030864 k( 178) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0030864 k( 179) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0030864 k( 180) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0030864 k( 181) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0030864 k( 182) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0030864 k( 183) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0030864 k( 184) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0030864 k( 185) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 187) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0030864 k( 188) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0030864 k( 189) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0030864 k( 190) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0030864 k( 191) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0030864 k( 192) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0030864 k( 193) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0030864 k( 194) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0030864 k( 195) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0030864 k( 196) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0030864 k( 197) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0030864 k( 198) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0030864 k( 199) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0030864 k( 200) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0030864 k( 201) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0030864 k( 202) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0030864 k( 203) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0030864 k( 204) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0030864 k( 205) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0030864 k( 206) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0030864 k( 207) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0030864 k( 208) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0030864 k( 209) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0030864 k( 210) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0030864 k( 211) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0030864 k( 212) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0030864 k( 213) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0030864 k( 214) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0030864 k( 215) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0030864 k( 216) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0030864 k( 217) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0030864 k( 218) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0030864 k( 219) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0030864 k( 220) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0030864 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 223) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0030864 k( 224) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0030864 k( 225) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0030864 k( 226) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0030864 k( 227) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0030864 k( 228) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0030864 k( 229) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0030864 k( 230) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0030864 k( 231) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0030864 k( 232) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0030864 k( 233) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0030864 k( 234) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0030864 k( 235) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0030864 k( 236) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0030864 k( 237) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0030864 k( 238) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0030864 k( 239) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0030864 k( 240) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0030864 k( 241) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0030864 k( 242) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030864 k( 243) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0030864 k( 244) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0030864 k( 245) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0030864 k( 246) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0030864 k( 247) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030864 k( 248) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0030864 k( 249) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0030864 k( 250) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0030864 k( 251) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0030864 k( 252) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030864 k( 253) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0030864 k( 254) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0030864 k( 255) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0030864 k( 256) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0030864 k( 257) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0030864 k( 258) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0030864 k( 259) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0030864 k( 260) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0030864 k( 261) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0030864 k( 262) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030864 k( 263) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0030864 k( 264) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0030864 k( 265) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0030864 k( 266) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0030864 k( 267) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0030864 k( 268) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0030864 k( 269) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0030864 k( 270) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0030864 k( 271) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0030864 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 274) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0030864 k( 275) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0030864 k( 276) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0030864 k( 277) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0030864 k( 278) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0030864 k( 279) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0030864 k( 280) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0030864 k( 281) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0030864 k( 282) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0030864 k( 283) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0030864 k( 284) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0030864 k( 285) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0030864 k( 286) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0030864 k( 287) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0030864 k( 288) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0030864 k( 289) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0030864 k( 290) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0030864 k( 291) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0030864 k( 292) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0030864 k( 293) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0030864 k( 294) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0030864 k( 295) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0030864 k( 296) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0030864 k( 297) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0030864 k( 298) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030864 k( 299) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 300) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0030864 k( 301) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0030864 k( 302) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0030864 k( 303) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0030864 k( 304) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0030864 k( 305) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0030864 k( 306) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0030864 k( 307) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0030864 k( 308) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0030864 k( 309) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0030864 k( 310) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0030864 k( 311) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0030864 k( 312) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0030864 k( 313) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0030864 k( 314) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0030864 k( 315) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0030864 k( 316) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0030864 k( 317) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0030864 k( 318) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0030864 k( 319) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0030864 k( 320) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0030864 k( 321) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0030864 k( 322) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0030864 k( 323) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0030864 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 Dense grid: 54587 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 34271 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 204, 44) NL pseudopotentials 0.15 Mb ( 102, 98) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1136) G-vector shells 0.00 Mb ( 394) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 204, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 98, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ga2BiAs.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 45.6 secs Computing kpt #: 4 total cpu time spent up to now is 46.8 secs Computing kpt #: 5 total cpu time spent up to now is 48.0 secs Computing kpt #: 6 total cpu time spent up to now is 49.2 secs Computing kpt #: 7 total cpu time spent up to now is 50.3 secs Computing kpt #: 8 total cpu time spent up to now is 51.3 secs Computing kpt #: 9 total cpu time spent up to now is 52.6 secs Computing kpt #: 10 total cpu time spent up to now is 54.1 secs Computing kpt #: 11 total cpu time spent up to now is 55.2 secs Computing kpt #: 12 total cpu time spent up to now is 56.4 secs Computing kpt #: 13 total cpu time spent up to now is 57.6 secs Computing kpt #: 14 total cpu time spent up to now is 58.8 secs Computing kpt #: 15 total cpu time spent up to now is 60.0 secs Computing kpt #: 16 total cpu time spent up to now is 61.4 secs Computing kpt #: 17 total cpu time spent up to now is 62.6 secs Computing kpt #: 18 total cpu time spent up to now is 63.8 secs Computing kpt #: 19 total cpu time spent up to now is 65.0 secs Computing kpt #: 20 total cpu time spent up to now is 66.1 secs Computing kpt #: 21 total cpu time spent up to now is 67.1 secs Computing kpt #: 22 total cpu time spent up to now is 68.2 secs Computing kpt #: 23 total cpu time spent up to now is 69.2 secs Computing kpt #: 24 total cpu time spent up to now is 70.3 secs Computing kpt #: 25 total cpu time spent up to now is 71.4 secs Computing kpt #: 26 total cpu time spent up to now is 72.4 secs Computing kpt #: 27 total cpu time spent up to now is 73.5 secs Computing kpt #: 28 total cpu time spent up to now is 74.5 secs Computing kpt #: 29 total cpu time spent up to now is 75.8 secs Computing kpt #: 30 total cpu time spent up to now is 77.0 secs Computing kpt #: 31 total cpu time spent up to now is 78.2 secs Computing kpt #: 32 total cpu time spent up to now is 79.3 secs Computing kpt #: 33 total cpu time spent up to now is 80.6 secs Computing kpt #: 34 total cpu time spent up to now is 81.9 secs Computing kpt #: 35 total cpu time spent up to now is 83.1 secs Computing kpt #: 36 total cpu time spent up to now is 84.4 secs Computing kpt #: 37 total cpu time spent up to now is 85.6 secs Computing kpt #: 38 total cpu time spent up to now is 87.1 secs Computing kpt #: 39 total cpu time spent up to now is 88.8 secs Computing kpt #: 40 total cpu time spent up to now is 90.2 secs Computing kpt #: 41 total cpu time spent up to now is 92.2 secs Computing kpt #: 42 total cpu time spent up to now is 93.9 secs Computing kpt #: 43 total cpu time spent up to now is 95.2 secs Computing kpt #: 44 total cpu time spent up to now is 96.3 secs Computing kpt #: 45 total cpu time spent up to now is 97.4 secs Computing kpt #: 46 total cpu time spent up to now is 98.5 secs Computing kpt #: 47 total cpu time spent up to now is 99.5 secs Computing kpt #: 48 total cpu time spent up to now is 100.6 secs Computing kpt #: 49 total cpu time spent up to now is 101.8 secs Computing kpt #: 50 total cpu time spent up to now is 103.0 secs Computing kpt #: 51 total cpu time spent up to now is 104.2 secs Computing kpt #: 52 total cpu time spent up to now is 105.4 secs Computing kpt #: 53 total cpu time spent up to now is 106.7 secs Computing kpt #: 54 total cpu time spent up to now is 107.8 secs Computing kpt #: 55 total cpu time spent up to now is 108.9 secs Computing kpt #: 56 total cpu time spent up to now is 109.9 secs Computing kpt #: 57 total cpu time spent up to now is 110.9 secs Computing kpt #: 58 total cpu time spent up to now is 111.8 secs Computing kpt #: 59 total cpu time spent up to now is 112.8 secs Computing kpt #: 60 total cpu time spent up to now is 113.7 secs Computing kpt #: 61 total cpu time spent up to now is 114.6 secs Computing kpt #: 62 total cpu time spent up to now is 115.5 secs Computing kpt #: 63 total cpu time spent up to now is 116.3 secs Computing kpt #: 64 total cpu time spent up to now is 117.5 secs Computing kpt #: 65 total cpu time spent up to now is 118.6 secs Computing kpt #: 66 total cpu time spent up to now is 119.6 secs Computing kpt #: 67 total cpu time spent up to now is 120.5 secs Computing kpt #: 68 total cpu time spent up to now is 121.4 secs Computing kpt #: 69 total cpu time spent up to now is 122.2 secs Computing kpt #: 70 total cpu time spent up to now is 123.1 secs Computing kpt #: 71 total cpu time spent up to now is 124.0 secs Computing kpt #: 72 total cpu time spent up to now is 124.9 secs Computing kpt #: 73 total cpu time spent up to now is 125.7 secs Computing kpt #: 74 total cpu time spent up to now is 126.6 secs Computing kpt #: 75 total cpu time spent up to now is 127.4 secs Computing kpt #: 76 total cpu time spent up to now is 128.3 secs Computing kpt #: 77 total cpu time spent up to now is 129.1 secs Computing kpt #: 78 total cpu time spent up to now is 130.1 secs Computing kpt #: 79 total cpu time spent up to now is 131.0 secs Computing kpt #: 80 total cpu time spent up to now is 131.9 secs Computing kpt #: 81 total cpu time spent up to now is 132.7 secs Computing kpt #: 82 total cpu time spent up to now is 133.6 secs Computing kpt #: 83 total cpu time spent up to now is 134.5 secs Computing kpt #: 84 total cpu time spent up to now is 135.4 secs Computing kpt #: 85 total cpu time spent up to now is 136.3 secs Computing kpt #: 86 total cpu time spent up to now is 137.2 secs Computing kpt #: 87 total cpu time spent up to now is 138.2 secs Computing kpt #: 88 total cpu time spent up to now is 139.1 secs Computing kpt #: 89 total cpu time spent up to now is 140.1 secs Computing kpt #: 90 total cpu time spent up to now is 141.2 secs Computing kpt #: 91 total cpu time spent up to now is 142.3 secs Computing kpt #: 92 total cpu time spent up to now is 143.5 secs Computing kpt #: 93 total cpu time spent up to now is 144.6 secs Computing kpt #: 94 total cpu time spent up to now is 145.7 secs Computing kpt #: 95 total cpu time spent up to now is 146.9 secs Computing kpt #: 96 total cpu time spent up to now is 148.1 secs Computing kpt #: 97 total cpu time spent up to now is 149.4 secs Computing kpt #: 98 total cpu time spent up to now is 150.6 secs Computing kpt #: 99 total cpu time spent up to now is 152.0 secs Computing kpt #: 100 total cpu time spent up to now is 153.1 secs Computing kpt #: 101 total cpu time spent up to now is 154.3 secs Computing kpt #: 102 total cpu time spent up to now is 155.7 secs Computing kpt #: 103 total cpu time spent up to now is 156.8 secs Computing kpt #: 104 total cpu time spent up to now is 157.8 secs Computing kpt #: 105 total cpu time spent up to now is 158.7 secs Computing kpt #: 106 total cpu time spent up to now is 159.7 secs Computing kpt #: 107 total cpu time spent up to now is 160.6 secs Computing kpt #: 108 total cpu time spent up to now is 161.6 secs Computing kpt #: 109 total cpu time spent up to now is 162.6 secs Computing kpt #: 110 total cpu time spent up to now is 163.5 secs Computing kpt #: 111 total cpu time spent up to now is 164.4 secs Computing kpt #: 112 total cpu time spent up to now is 165.3 secs Computing kpt #: 113 total cpu time spent up to now is 166.3 secs Computing kpt #: 114 total cpu time spent up to now is 167.3 secs Computing kpt #: 115 total cpu time spent up to now is 168.2 secs Computing kpt #: 116 total cpu time spent up to now is 169.1 secs Computing kpt #: 117 total cpu time spent up to now is 170.2 secs Computing kpt #: 118 total cpu time spent up to now is 171.2 secs Computing kpt #: 119 total cpu time spent up to now is 172.2 secs Computing kpt #: 120 total cpu time spent up to now is 173.5 secs Computing kpt #: 121 total cpu time spent up to now is 174.6 secs Computing kpt #: 122 total cpu time spent up to now is 175.7 secs Computing kpt #: 123 total cpu time spent up to now is 176.8 secs Computing kpt #: 124 total cpu time spent up to now is 177.9 secs Computing kpt #: 125 total cpu time spent up to now is 178.9 secs Computing kpt #: 126 total cpu time spent up to now is 180.0 secs Computing kpt #: 127 total cpu time spent up to now is 181.1 secs Computing kpt #: 128 total cpu time spent up to now is 182.2 secs Computing kpt #: 129 total cpu time spent up to now is 183.3 secs Computing kpt #: 130 total cpu time spent up to now is 184.5 secs Computing kpt #: 131 total cpu time spent up to now is 185.6 secs Computing kpt #: 132 total cpu time spent up to now is 186.7 secs Computing kpt #: 133 total cpu time spent up to now is 187.9 secs Computing kpt #: 134 total cpu time spent up to now is 189.1 secs Computing kpt #: 135 total cpu time spent up to now is 190.2 secs Computing kpt #: 136 total cpu time spent up to now is 191.4 secs Computing kpt #: 137 total cpu time spent up to now is 192.5 secs Computing kpt #: 138 total cpu time spent up to now is 193.5 secs Computing kpt #: 139 total cpu time spent up to now is 194.5 secs Computing kpt #: 140 total cpu time spent up to now is 195.4 secs Computing kpt #: 141 total cpu time spent up to now is 196.3 secs Computing kpt #: 142 total cpu time spent up to now is 197.2 secs Computing kpt #: 143 total cpu time spent up to now is 198.2 secs Computing kpt #: 144 total cpu time spent up to now is 199.1 secs Computing kpt #: 145 total cpu time spent up to now is 199.9 secs Computing kpt #: 146 total cpu time spent up to now is 200.8 secs Computing kpt #: 147 total cpu time spent up to now is 201.7 secs Computing kpt #: 148 total cpu time spent up to now is 202.7 secs Computing kpt #: 149 total cpu time spent up to now is 203.6 secs Computing kpt #: 150 total cpu time spent up to now is 204.5 secs Computing kpt #: 151 total cpu time spent up to now is 205.4 secs Computing kpt #: 152 total cpu time spent up to now is 206.4 secs Computing kpt #: 153 total cpu time spent up to now is 207.3 secs Computing kpt #: 154 total cpu time spent up to now is 208.2 secs Computing kpt #: 155 total cpu time spent up to now is 209.1 secs Computing kpt #: 156 total cpu time spent up to now is 210.1 secs Computing kpt #: 157 total cpu time spent up to now is 211.0 secs Computing kpt #: 158 total cpu time spent up to now is 211.9 secs Computing kpt #: 159 total cpu time spent up to now is 213.0 secs Computing kpt #: 160 total cpu time spent up to now is 213.9 secs Computing kpt #: 161 total cpu time spent up to now is 215.0 secs Computing kpt #: 162 total cpu time spent up to now is 216.6 secs Computing kpt #: 163 total cpu time spent up to now is 217.5 secs Computing kpt #: 164 total cpu time spent up to now is 218.6 secs Computing kpt #: 165 total cpu time spent up to now is 219.7 secs Computing kpt #: 166 total cpu time spent up to now is 220.9 secs Computing kpt #: 167 total cpu time spent up to now is 222.1 secs Computing kpt #: 168 total cpu time spent up to now is 223.3 secs Computing kpt #: 169 total cpu time spent up to now is 224.4 secs Computing kpt #: 170 total cpu time spent up to now is 225.6 secs Computing kpt #: 171 total cpu time spent up to now is 226.8 secs Computing kpt #: 172 total cpu time spent up to now is 227.8 secs Computing kpt #: 173 total cpu time spent up to now is 228.9 secs Computing kpt #: 174 total cpu time spent up to now is 229.9 secs Computing kpt #: 175 total cpu time spent up to now is 230.9 secs Computing kpt #: 176 total cpu time spent up to now is 232.0 secs Computing kpt #: 177 total cpu time spent up to now is 233.1 secs Computing kpt #: 178 total cpu time spent up to now is 234.2 secs Computing kpt #: 179 total cpu time spent up to now is 235.2 secs Computing kpt #: 180 total cpu time spent up to now is 236.2 secs Computing kpt #: 181 total cpu time spent up to now is 237.3 secs Computing kpt #: 182 total cpu time spent up to now is 238.3 secs Computing kpt #: 183 total cpu time spent up to now is 239.4 secs Computing kpt #: 184 total cpu time spent up to now is 240.3 secs Computing kpt #: 185 total cpu time spent up to now is 241.4 secs Computing kpt #: 186 total cpu time spent up to now is 242.3 secs Computing kpt #: 187 total cpu time spent up to now is 243.2 secs Computing kpt #: 188 total cpu time spent up to now is 244.2 secs Computing kpt #: 189 total cpu time spent up to now is 245.3 secs Computing kpt #: 190 total cpu time spent up to now is 246.4 secs Computing kpt #: 191 total cpu time spent up to now is 247.3 secs Computing kpt #: 192 total cpu time spent up to now is 248.3 secs Computing kpt #: 193 total cpu time spent up to now is 249.3 secs Computing kpt #: 194 total cpu time spent up to now is 250.3 secs Computing kpt #: 195 total cpu time spent up to now is 251.5 secs Computing kpt #: 196 total cpu time spent up to now is 252.6 secs Computing kpt #: 197 total cpu time spent up to now is 253.8 secs Computing kpt #: 198 total cpu time spent up to now is 255.0 secs Computing kpt #: 199 total cpu time spent up to now is 256.4 secs Computing kpt #: 200 total cpu time spent up to now is 257.7 secs Computing kpt #: 201 total cpu time spent up to now is 259.3 secs Computing kpt #: 202 total cpu time spent up to now is 260.8 secs Computing kpt #: 203 total cpu time spent up to now is 262.7 secs Computing kpt #: 204 total cpu time spent up to now is 264.6 secs Computing kpt #: 205 total cpu time spent up to now is 266.1 secs Computing kpt #: 206 total cpu time spent up to now is 267.6 secs Computing kpt #: 207 total cpu time spent up to now is 268.9 secs Computing kpt #: 208 total cpu time spent up to now is 270.1 secs Computing kpt #: 209 total cpu time spent up to now is 271.3 secs Computing kpt #: 210 total cpu time spent up to now is 272.7 secs Computing kpt #: 211 total cpu time spent up to now is 273.8 secs Computing kpt #: 212 total cpu time spent up to now is 274.9 secs Computing kpt #: 213 total cpu time spent up to now is 275.9 secs Computing kpt #: 214 total cpu time spent up to now is 277.0 secs Computing kpt #: 215 total cpu time spent up to now is 277.9 secs Computing kpt #: 216 total cpu time spent up to now is 278.9 secs Computing kpt #: 217 total cpu time spent up to now is 279.8 secs Computing kpt #: 218 total cpu time spent up to now is 280.8 secs Computing kpt #: 219 total cpu time spent up to now is 281.7 secs Computing kpt #: 220 total cpu time spent up to now is 282.7 secs Computing kpt #: 221 total cpu time spent up to now is 283.5 secs Computing kpt #: 222 total cpu time spent up to now is 284.4 secs Computing kpt #: 223 total cpu time spent up to now is 285.3 secs Computing kpt #: 224 total cpu time spent up to now is 286.3 secs Computing kpt #: 225 total cpu time spent up to now is 287.3 secs Computing kpt #: 226 total cpu time spent up to now is 288.3 secs Computing kpt #: 227 total cpu time spent up to now is 289.2 secs Computing kpt #: 228 total cpu time spent up to now is 290.2 secs Computing kpt #: 229 total cpu time spent up to now is 291.1 secs Computing kpt #: 230 total cpu time spent up to now is 292.1 secs Computing kpt #: 231 total cpu time spent up to now is 293.1 secs Computing kpt #: 232 total cpu time spent up to now is 294.2 secs Computing kpt #: 233 total cpu time spent up to now is 295.2 secs Computing kpt #: 234 total cpu time spent up to now is 296.3 secs Computing kpt #: 235 total cpu time spent up to now is 297.4 secs Computing kpt #: 236 total cpu time spent up to now is 298.5 secs Computing kpt #: 237 total cpu time spent up to now is 299.7 secs Computing kpt #: 238 total cpu time spent up to now is 300.8 secs Computing kpt #: 239 total cpu time spent up to now is 301.9 secs Computing kpt #: 240 total cpu time spent up to now is 303.1 secs Computing kpt #: 241 total cpu time spent up to now is 304.2 secs Computing kpt #: 242 total cpu time spent up to now is 305.4 secs Computing kpt #: 243 total cpu time spent up to now is 306.6 secs Computing kpt #: 244 total cpu time spent up to now is 307.8 secs Computing kpt #: 245 total cpu time spent up to now is 309.7 secs Computing kpt #: 246 total cpu time spent up to now is 310.9 secs Computing kpt #: 247 total cpu time spent up to now is 312.4 secs Computing kpt #: 248 total cpu time spent up to now is 313.6 secs Computing kpt #: 249 total cpu time spent up to now is 314.8 secs Computing kpt #: 250 total cpu time spent up to now is 316.2 secs Computing kpt #: 251 total cpu time spent up to now is 317.5 secs Computing kpt #: 252 total cpu time spent up to now is 318.7 secs Computing kpt #: 253 total cpu time spent up to now is 319.9 secs Computing kpt #: 254 total cpu time spent up to now is 321.1 secs Computing kpt #: 255 total cpu time spent up to now is 322.2 secs Computing kpt #: 256 total cpu time spent up to now is 323.4 secs Computing kpt #: 257 total cpu time spent up to now is 324.5 secs Computing kpt #: 258 total cpu time spent up to now is 325.5 secs Computing kpt #: 259 total cpu time spent up to now is 326.6 secs Computing kpt #: 260 total cpu time spent up to now is 327.6 secs Computing kpt #: 261 total cpu time spent up to now is 328.8 secs Computing kpt #: 262 total cpu time spent up to now is 329.9 secs Computing kpt #: 263 total cpu time spent up to now is 331.0 secs Computing kpt #: 264 total cpu time spent up to now is 331.9 secs Computing kpt #: 265 total cpu time spent up to now is 332.8 secs Computing kpt #: 266 total cpu time spent up to now is 333.7 secs Computing kpt #: 267 total cpu time spent up to now is 334.7 secs Computing kpt #: 268 total cpu time spent up to now is 336.0 secs Computing kpt #: 269 total cpu time spent up to now is 336.9 secs Computing kpt #: 270 total cpu time spent up to now is 337.9 secs Computing kpt #: 271 total cpu time spent up to now is 339.0 secs Computing kpt #: 272 total cpu time spent up to now is 340.4 secs Computing kpt #: 273 total cpu time spent up to now is 342.5 secs Computing kpt #: 274 total cpu time spent up to now is 344.3 secs Computing kpt #: 275 total cpu time spent up to now is 345.6 secs Computing kpt #: 276 total cpu time spent up to now is 346.8 secs Computing kpt #: 277 total cpu time spent up to now is 348.0 secs Computing kpt #: 278 total cpu time spent up to now is 349.1 secs Computing kpt #: 279 total cpu time spent up to now is 350.2 secs Computing kpt #: 280 total cpu time spent up to now is 351.5 secs Computing kpt #: 281 total cpu time spent up to now is 353.0 secs Computing kpt #: 282 total cpu time spent up to now is 354.2 secs Computing kpt #: 283 total cpu time spent up to now is 355.4 secs Computing kpt #: 284 total cpu time spent up to now is 356.5 secs Computing kpt #: 285 total cpu time spent up to now is 357.6 secs Computing kpt #: 286 total cpu time spent up to now is 358.8 secs Computing kpt #: 287 total cpu time spent up to now is 360.0 secs Computing kpt #: 288 total cpu time spent up to now is 361.1 secs Computing kpt #: 289 total cpu time spent up to now is 362.2 secs Computing kpt #: 290 total cpu time spent up to now is 363.1 secs Computing kpt #: 291 total cpu time spent up to now is 364.1 secs Computing kpt #: 292 total cpu time spent up to now is 365.2 secs Computing kpt #: 293 total cpu time spent up to now is 366.1 secs Computing kpt #: 294 total cpu time spent up to now is 367.1 secs Computing kpt #: 295 total cpu time spent up to now is 368.2 secs Computing kpt #: 296 total cpu time spent up to now is 369.2 secs Computing kpt #: 297 total cpu time spent up to now is 370.2 secs Computing kpt #: 298 total cpu time spent up to now is 371.3 secs Computing kpt #: 299 total cpu time spent up to now is 372.1 secs Computing kpt #: 300 total cpu time spent up to now is 373.0 secs Computing kpt #: 301 total cpu time spent up to now is 373.8 secs Computing kpt #: 302 total cpu time spent up to now is 374.6 secs Computing kpt #: 303 total cpu time spent up to now is 375.5 secs Computing kpt #: 304 total cpu time spent up to now is 376.5 secs Computing kpt #: 305 total cpu time spent up to now is 377.4 secs Computing kpt #: 306 total cpu time spent up to now is 378.2 secs Computing kpt #: 307 total cpu time spent up to now is 379.1 secs Computing kpt #: 308 total cpu time spent up to now is 379.9 secs Computing kpt #: 309 total cpu time spent up to now is 380.9 secs Computing kpt #: 310 total cpu time spent up to now is 382.0 secs Computing kpt #: 311 total cpu time spent up to now is 383.1 secs Computing kpt #: 312 total cpu time spent up to now is 384.2 secs Computing kpt #: 313 total cpu time spent up to now is 385.3 secs Computing kpt #: 314 total cpu time spent up to now is 386.3 secs Computing kpt #: 315 total cpu time spent up to now is 387.4 secs Computing kpt #: 316 total cpu time spent up to now is 388.5 secs Computing kpt #: 317 total cpu time spent up to now is 389.8 secs Computing kpt #: 318 total cpu time spent up to now is 390.9 secs Computing kpt #: 319 total cpu time spent up to now is 392.0 secs Computing kpt #: 320 total cpu time spent up to now is 392.9 secs Computing kpt #: 321 total cpu time spent up to now is 393.8 secs Computing kpt #: 322 total cpu time spent up to now is 394.8 secs Computing kpt #: 323 total cpu time spent up to now is 395.8 secs Computing kpt #: 324 total cpu time spent up to now is 396.7 secs ethr = 2.78E-11, avg # of iterations = 22.4 total cpu time spent up to now is 396.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4273 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0250 -11.0250 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.9061 -7.9061 -5.2921 -5.2921 -1.9080 -1.9080 1.1379 1.1379 2.1052 2.1052 2.4665 2.4665 3.9073 3.9073 4.3202 4.3202 4.6075 4.6075 5.2585 5.2585 5.6700 5.6700 7.2247 7.2247 k = 0.0000 0.0143-0.0000 ( 4261 PWs) bands (ev): -11.1177 -11.1145 -11.0764 -11.0762 -11.0389 -11.0385 -11.0250 -11.0249 -10.6766 -10.6723 -10.6420 -10.6416 -10.5915 -10.5911 -10.5904 -10.5892 -10.5598 -10.5597 -10.5595 -10.5594 -7.9053 -7.9050 -5.2920 -5.2919 -1.9183 -1.8977 1.1037 1.1618 2.0921 2.0932 2.4725 2.4743 3.9017 3.9112 4.3197 4.3243 4.6079 4.6089 5.2246 5.2982 5.6745 5.6771 7.2176 7.2321 k = 0.0000 0.0286-0.0000 ( 4260 PWs) bands (ev): -11.1192 -11.1129 -11.0764 -11.0761 -11.0391 -11.0383 -11.0250 -11.0249 -10.6787 -10.6701 -10.6420 -10.6413 -10.5917 -10.5911 -10.5908 -10.5886 -10.5599 -10.5596 -10.5596 -10.5593 -7.9027 -7.9020 -5.2917 -5.2915 -1.9285 -1.8872 1.0587 1.1755 2.0563 2.0631 2.4893 2.4902 3.8956 3.9121 4.3209 4.3331 4.6108 4.6116 5.1966 5.3434 5.6908 5.6957 7.2110 7.2394 k = 0.0000 0.0429-0.0000 ( 4246 PWs) bands (ev): -11.1207 -11.1113 -11.0764 -11.0759 -11.0393 -11.0381 -11.0250 -11.0248 -10.6808 -10.6681 -10.6419 -10.6410 -10.5919 -10.5917 -10.5906 -10.5881 -10.5600 -10.5597 -10.5595 -10.5592 -7.8981 -7.8971 -5.2912 -5.2909 -1.9386 -1.8766 1.0025 1.1790 2.0063 2.0248 2.5058 2.5086 3.8899 3.9090 4.3219 4.3466 4.6153 4.6177 5.1750 5.3929 5.7200 5.7258 7.2058 7.2469 k = 0.0000 0.0571-0.0000 ( 4244 PWs) bands (ev): -11.1222 -11.1097 -11.0764 -11.0757 -11.0395 -11.0379 -11.0251 -11.0248 -10.6828 -10.6661 -10.6417 -10.6407 -10.5924 -10.5921 -10.5904 -10.5875 -10.5601 -10.5597 -10.5595 -10.5591 -7.8917 -7.8903 -5.2905 -5.2901 -1.9487 -1.8660 0.9353 1.1714 1.9506 1.9855 2.5150 2.5229 3.8853 3.9013 4.3211 4.3631 4.6197 4.6301 5.1609 5.4442 5.7639 5.7671 7.2028 7.2543 k = 0.0000 0.0714-0.0000 ( 4250 PWs) bands (ev): -11.1236 -11.1082 -11.0765 -11.0754 -11.0397 -11.0377 -11.0252 -11.0248 -10.6847 -10.6643 -10.6414 -10.6403 -10.5931 -10.5923 -10.5902 -10.5870 -10.5602 -10.5598 -10.5594 -10.5591 -7.8835 -7.8818 -5.2897 -5.2892 -1.9589 -1.8554 0.8575 1.1515 1.8963 1.9496 2.5145 2.5276 3.8818 3.8883 4.3174 4.3794 4.6247 4.6492 5.1558 5.4941 5.8195 5.8252 7.2034 7.2617 k = 0.0000 0.0857-0.0000 ( 4250 PWs) bands (ev): -11.1249 -11.1068 -11.0764 -11.0752 -11.0398 -11.0375 -11.0253 -11.0248 -10.6865 -10.6628 -10.6408 -10.6399 -10.5938 -10.5925 -10.5900 -10.5865 -10.5603 -10.5599 -10.5594 -10.5591 -7.8734 -7.8714 -5.2887 -5.2882 -1.9692 -1.8448 0.7704 1.1184 1.8483 1.9193 2.5033 2.5209 3.8694 3.8788 4.3101 4.3922 4.6303 4.6749 5.1622 5.5392 5.8831 5.9061 7.2085 7.2690 k = 0.0000 0.1000-0.0000 ( 4268 PWs) bands (ev): -11.1261 -11.1056 -11.0764 -11.0749 -11.0400 -11.0373 -11.0253 -11.0249 -10.6883 -10.6615 -10.6401 -10.6395 -10.5946 -10.5928 -10.5898 -10.5861 -10.5605 -10.5600 -10.5593 -10.5591 -7.8616 -7.8593 -5.2877 -5.2871 -1.9797 -1.8345 0.6759 1.0719 1.8097 1.8950 2.4818 2.5028 3.8443 3.8750 4.2994 4.3994 4.6364 4.7047 5.1824 5.5783 5.9583 6.0067 7.2192 7.2761 k = 0.0000 0.1143-0.0000 ( 4276 PWs) bands (ev): -11.1273 -11.1044 -11.0764 -11.0745 -11.0401 -11.0371 -11.0254 -11.0249 -10.6899 -10.6604 -10.6391 -10.6390 -10.5954 -10.5930 -10.5896 -10.5857 -10.5606 -10.5600 -10.5593 -10.5591 -7.8481 -7.8455 -5.2867 -5.2861 -1.9904 -1.8244 0.5758 1.0128 1.7817 1.8764 2.4513 2.4742 3.8128 3.8687 4.2858 4.4008 4.6431 4.7346 5.2175 5.6118 6.0457 6.1248 7.2360 7.2835 k = 0.0000 0.1286-0.0000 ( 4276 PWs) bands (ev): -11.1283 -11.1033 -11.0764 -11.0741 -11.0401 -11.0369 -11.0255 -11.0250 -10.6913 -10.6596 -10.6386 -10.6378 -10.5961 -10.5932 -10.5894 -10.5853 -10.5608 -10.5601 -10.5593 -10.5591 -7.8328 -7.8300 -5.2857 -5.2851 -2.0015 -1.8148 0.4721 0.9434 1.7637 1.8625 2.4137 2.4370 3.7749 3.8579 4.2701 4.3970 4.6507 4.7617 5.2664 5.6410 6.1462 6.2577 7.2590 7.2917 k = 0.0000 0.1429-0.0000 ( 4286 PWs) bands (ev): -11.1292 -11.1024 -11.0763 -11.0737 -11.0402 -11.0367 -11.0256 -11.0251 -10.6926 -10.6591 -10.6381 -10.6364 -10.5970 -10.5934 -10.5892 -10.5849 -10.5609 -10.5601 -10.5592 -10.5591 -7.8159 -7.8130 -5.2849 -5.2842 -2.0129 -1.8059 0.3666 0.8661 1.7542 1.8523 2.3710 2.3929 3.7306 3.8408 4.2534 4.3890 4.6595 4.7852 5.3258 5.6675 6.2605 6.4017 7.2876 7.3013 k = 0.0000 0.1571-0.0000 ( 4282 PWs) bands (ev): -11.1300 -11.1016 -11.0762 -11.0733 -11.0402 -11.0364 -11.0257 -11.0251 -10.6937 -10.6588 -10.6376 -10.6348 -10.5978 -10.5936 -10.5890 -10.5846 -10.5611 -10.5602 -10.5592 -10.5591 -7.7974 -7.7943 -5.2843 -5.2837 -2.0248 -1.7979 0.2610 0.7838 1.7516 1.8444 2.3256 2.3439 3.6804 3.8157 4.2369 4.3775 4.6698 4.8059 5.3909 5.6922 6.3891 6.5530 7.3128 7.3203 k = 0.0000 0.1714-0.0000 ( 4274 PWs) bands (ev): -11.1306 -11.1010 -11.0762 -11.0728 -11.0401 -11.0362 -11.0258 -11.0252 -10.6946 -10.6586 -10.6370 -10.6330 -10.5986 -10.5938 -10.5888 -10.5842 -10.5612 -10.5602 -10.5592 -10.5590 -7.7775 -7.7743 -5.2841 -5.2834 -2.0371 -1.7910 0.1567 0.6987 1.7542 1.8371 2.2801 2.2916 3.6248 3.7817 4.2212 4.3633 4.6820 4.8253 5.4578 5.7161 6.5319 6.7069 7.3262 7.3533 k = 0.0000 0.1857-0.0000 ( 4286 PWs) bands (ev): -11.1312 -11.1005 -11.0761 -11.0724 -11.0400 -11.0360 -11.0260 -11.0253 -10.6954 -10.6587 -10.6365 -10.6312 -10.5995 -10.5941 -10.5886 -10.5839 -10.5613 -10.5602 -10.5592 -10.5590 -7.7562 -7.7529 -5.2842 -5.2835 -2.0499 -1.7856 0.0551 0.6124 1.7607 1.8287 2.2369 2.2376 3.5645 3.7385 4.2068 4.3468 4.6961 4.8443 5.5236 5.7399 6.6878 6.8571 7.3416 7.3833 k = 0.0000 0.2000-0.0000 ( 4282 PWs) bands (ev): -11.1315 -11.1002 -11.0760 -11.0720 -11.0399 -11.0358 -11.0261 -11.0254 -10.6960 -10.6589 -10.6360 -10.6293 -10.6003 -10.5943 -10.5884 -10.5836 -10.5614 -10.5603 -10.5592 -10.5590 -7.7335 -7.7302 -5.2847 -5.2841 -2.0631 -1.7819 -0.0428 0.5265 1.7698 1.8171 2.1835 2.1991 3.5001 3.6866 4.1934 4.3286 4.7125 4.8640 5.5867 5.7642 6.8551 6.9959 7.3588 7.4100 k = 0.0000 0.2143-0.0000 ( 4278 PWs) bands (ev): -11.1318 -11.1000 -11.0759 -11.0716 -11.0396 -11.0355 -11.0262 -11.0255 -10.6964 -10.6592 -10.6354 -10.6275 -10.6012 -10.5945 -10.5881 -10.5834 -10.5615 -10.5603 -10.5593 -10.5590 -7.7097 -7.7064 -5.2858 -5.2853 -2.0768 -1.7804 -0.1360 0.4419 1.7804 1.8003 2.1307 2.1691 3.4325 3.6272 4.1806 4.3088 4.7310 4.8845 5.6466 5.7892 7.0310 7.1160 7.3779 7.4349 k = 0.0000 0.2286-0.0000 ( 4270 PWs) bands (ev): -11.1320 -11.0999 -11.0758 -11.0713 -11.0393 -11.0353 -11.0263 -11.0256 -10.6967 -10.6596 -10.6348 -10.6256 -10.6021 -10.5947 -10.5879 -10.5831 -10.5616 -10.5603 -10.5593 -10.5590 -7.6848 -7.6816 -5.2876 -5.2872 -2.0907 -1.7813 -0.2235 0.3594 1.7772 1.7915 2.0805 2.1486 3.3625 3.5615 4.1679 4.2878 4.7517 4.9062 5.7030 5.8152 7.2099 7.2147 7.3999 7.4594 k = 0.0000 0.2429-0.0000 ( 4274 PWs) bands (ev): -11.1320 -11.1000 -11.0757 -11.0710 -11.0390 -11.0351 -11.0264 -11.0257 -10.6968 -10.6601 -10.6342 -10.6238 -10.6029 -10.5950 -10.5877 -10.5829 -10.5617 -10.5603 -10.5594 -10.5590 -7.6591 -7.6560 -5.2900 -5.2897 -2.1049 -1.7850 -0.3047 0.2794 1.7481 1.8017 2.0345 2.1378 3.2911 3.4907 4.1549 4.2657 4.7745 4.9290 5.7562 5.8423 7.2948 7.3655 7.4364 7.4841 k = 0.0000 0.2571-0.0000 ( 4274 PWs) bands (ev): -11.1319 -11.1002 -11.0756 -11.0708 -11.0386 -11.0348 -11.0266 -11.0259 -10.6967 -10.6607 -10.6336 -10.6220 -10.6038 -10.5952 -10.5875 -10.5828 -10.5618 -10.5603 -10.5594 -10.5590 -7.6326 -7.6296 -5.2932 -5.2931 -2.1191 -1.7917 -0.3788 0.2023 1.7144 1.8090 1.9948 2.1357 3.2190 3.4160 4.1411 4.2428 4.7992 4.9527 5.8066 5.8704 7.3610 7.4218 7.5024 7.5093 k = 0.0000 0.2714-0.0000 ( 4274 PWs) bands (ev): -11.1317 -11.1006 -11.0755 -11.0707 -11.0382 -11.0346 -11.0267 -11.0260 -10.6965 -10.6613 -10.6330 -10.6203 -10.6047 -10.5954 -10.5872 -10.5826 -10.5619 -10.5603 -10.5595 -10.5591 -7.6056 -7.6027 -5.2972 -5.2971 -2.1332 -1.8018 -0.4455 0.1283 1.6782 1.8108 1.9642 2.1404 3.1472 3.3387 4.1265 4.2191 4.8255 4.9772 5.8545 5.8996 7.4175 7.4457 7.5350 7.5405 k = 0.0000 0.2857-0.0000 ( 4276 PWs) bands (ev): -11.1314 -11.1010 -11.0754 -11.0706 -11.0377 -11.0343 -11.0269 -11.0262 -10.6961 -10.6620 -10.6323 -10.6187 -10.6056 -10.5957 -10.5870 -10.5825 -10.5619 -10.5604 -10.5595 -10.5591 -7.5782 -7.5755 -5.3021 -5.3018 -2.1469 -1.8152 -0.5043 0.0574 1.6416 1.8044 1.9452 2.1501 3.0767 3.2597 4.1110 4.1949 4.8533 5.0023 5.9001 5.9296 7.4658 7.4669 7.5613 7.5708 k = 0.0000 0.3000-0.0000 ( 4276 PWs) bands (ev): -11.1310 -11.1016 -11.0753 -11.0706 -11.0372 -11.0340 -11.0270 -11.0264 -10.6955 -10.6628 -10.6317 -10.6173 -10.6064 -10.5959 -10.5868 -10.5824 -10.5619 -10.5604 -10.5596 -10.5591 -7.5506 -7.5481 -5.3078 -5.3073 -2.1601 -1.8320 -0.5552 -0.0102 1.6062 1.7900 1.9374 2.1631 3.0083 3.1800 4.0946 4.1702 4.8822 5.0277 5.9436 5.9603 7.4842 7.5107 7.5879 7.5993 k = 0.0000 0.3143-0.0000 ( 4284 PWs) bands (ev): -11.1305 -11.1022 -11.0752 -11.0706 -11.0367 -11.0338 -11.0272 -11.0266 -10.6948 -10.6636 -10.6310 -10.6160 -10.6071 -10.5962 -10.5866 -10.5824 -10.5619 -10.5604 -10.5597 -10.5592 -7.5231 -7.5208 -5.3143 -5.3136 -2.1724 -1.8519 -0.5983 -0.0746 1.5733 1.7714 1.9367 2.1782 2.9430 3.1005 4.0775 4.1453 4.9120 5.0531 5.9851 5.9916 7.5010 7.5497 7.6146 7.6272 k = 0.0000 0.3286-0.0000 ( 4282 PWs) bands (ev): -11.1298 -11.1030 -11.0751 -11.0707 -11.0361 -11.0335 -11.0274 -11.0268 -10.6940 -10.6645 -10.6303 -10.6149 -10.6077 -10.5965 -10.5863 -10.5823 -10.5619 -10.5604 -10.5597 -10.5592 -7.4959 -7.4938 -5.3214 -5.3205 -2.1837 -1.8745 -0.6338 -0.1358 1.5440 1.7524 1.9388 2.1941 2.8818 3.0222 4.0599 4.1204 4.9423 5.0781 6.0230 6.0247 7.5164 7.5842 7.6411 7.6547 k = 0.0000 0.3429-0.0000 ( 4280 PWs) bands (ev): -11.1291 -11.1038 -11.0750 -11.0708 -11.0356 -11.0333 -11.0275 -11.0270 -10.6931 -10.6654 -10.6296 -10.6141 -10.6080 -10.5968 -10.5861 -10.5823 -10.5619 -10.5604 -10.5598 -10.5593 -7.4693 -7.4675 -5.3291 -5.3280 -2.1936 -1.8993 -0.6621 -0.1939 1.5187 1.7352 1.9409 2.2097 2.8256 2.9461 4.0420 4.0957 4.9729 5.1024 6.0543 6.0623 7.5301 7.6143 7.6670 7.6817 k = 0.0000 0.3571-0.0000 ( 4284 PWs) bands (ev): -11.1283 -11.1047 -11.0748 -11.0710 -11.0351 -11.0330 -11.0277 -11.0272 -10.6921 -10.6664 -10.6289 -10.6138 -10.6080 -10.5970 -10.5859 -10.5823 -10.5619 -10.5603 -10.5599 -10.5593 -7.4436 -7.4420 -5.3371 -5.3360 -2.2021 -1.9258 -0.6838 -0.2490 1.4982 1.7206 1.9416 2.2238 2.7754 2.8733 4.0240 4.0714 5.0034 5.1257 6.0851 6.0978 7.5424 7.6395 7.6923 7.7080 k = 0.0000 0.3714-0.0000 ( 4288 PWs) bands (ev): -11.1274 -11.1057 -11.0747 -11.0712 -11.0345 -11.0327 -11.0279 -11.0275 -10.6909 -10.6674 -10.6282 -10.6140 -10.6076 -10.5974 -10.5857 -10.5824 -10.5618 -10.5603 -10.5600 -10.5594 -7.4191 -7.4177 -5.3454 -5.3442 -2.2087 -1.9534 -0.6993 -0.3011 1.4827 1.7087 1.9404 2.2350 2.7316 2.8052 4.0064 4.0479 5.0334 5.1475 6.1152 6.1309 7.5533 7.6595 7.7169 7.7333 k = 0.0000 0.3857-0.0000 ( 4282 PWs) bands (ev): -11.1264 -11.1067 -11.0746 -11.0714 -11.0340 -11.0324 -11.0281 -11.0277 -10.6897 -10.6685 -10.6275 -10.6145 -10.6069 -10.5977 -10.5854 -10.5824 -10.5618 -10.5603 -10.5601 -10.5595 -7.3959 -7.3948 -5.3538 -5.3524 -2.2134 -1.9815 -0.7092 -0.3502 1.4723 1.6987 1.9378 2.2418 2.6946 2.7434 3.9894 4.0254 5.0625 5.1675 6.1440 6.1614 7.5631 7.6739 7.7409 7.7572 k = 0.0000 0.4000-0.0000 ( 4282 PWs) bands (ev): -11.1253 -11.1079 -11.0744 -11.0716 -11.0335 -11.0321 -11.0283 -11.0280 -10.6885 -10.6697 -10.6267 -10.6151 -10.6062 -10.5980 -10.5852 -10.5825 -10.5617 -10.5603 -10.5601 -10.5595 -7.3746 -7.3736 -5.3619 -5.3606 -2.2160 -2.0093 -0.7141 -0.3964 1.4673 1.6894 1.9349 2.2421 2.6643 2.6899 3.9734 4.0042 5.0905 5.1853 6.1712 6.1891 7.5722 7.6827 7.7637 7.7795 k = 0.0000 0.4143-0.0000 ( 4282 PWs) bands (ev): -11.1242 -11.1090 -11.0742 -11.0718 -11.0330 -11.0319 -11.0286 -11.0282 -10.6872 -10.6708 -10.6259 -10.6159 -10.6054 -10.5984 -10.5849 -10.5826 -10.5616 -10.5602 -10.5602 -10.5596 -7.3554 -7.3546 -5.3696 -5.3683 -2.2163 -2.0366 -0.7144 -0.4396 1.4674 1.6792 1.9338 2.2340 2.6403 2.6466 3.9589 3.9847 5.1169 5.2005 6.1962 6.2136 7.5808 7.6863 7.7851 7.7996 k = 0.0000 0.4286-0.0000 ( 4286 PWs) bands (ev): -11.1231 -11.1103 -11.0741 -11.0720 -11.0325 -11.0316 -11.0288 -11.0285 -10.6858 -10.6721 -10.6252 -10.6167 -10.6046 -10.5988 -10.5847 -10.5827 -10.5615 -10.5603 -10.5602 -10.5597 -7.3385 -7.3379 -5.3766 -5.3754 -2.2143 -2.0628 -0.7105 -0.4799 1.4726 1.6665 1.9369 2.2166 2.6147 2.6217 3.9460 3.9672 5.1413 5.2127 6.2188 6.2347 7.5894 7.6853 7.8045 7.8173 k = 0.0000 0.4429-0.0000 ( 4278 PWs) bands (ev): -11.1219 -11.1115 -11.0739 -11.0723 -11.0321 -11.0313 -11.0290 -11.0287 -10.6844 -10.6733 -10.6244 -10.6176 -10.6038 -10.5992 -10.5845 -10.5829 -10.5614 -10.5604 -10.5602 -10.5598 -7.3242 -7.3237 -5.3827 -5.3816 -2.2098 -2.0875 -0.7026 -0.5172 1.4824 1.6503 1.9459 2.1902 2.5939 2.6076 3.9353 3.9520 5.1633 5.2217 6.2383 6.2520 7.5984 7.6805 7.8214 7.8322 k = 0.0000 0.4571-0.0000 ( 4282 PWs) bands (ev): -11.1206 -11.1128 -11.0737 -11.0725 -11.0317 -11.0311 -11.0293 -11.0290 -10.6830 -10.6747 -10.6236 -10.6184 -10.6031 -10.5996 -10.5843 -10.5830 -10.5612 -10.5605 -10.5602 -10.5598 -7.3129 -7.3125 -5.3876 -5.3868 -2.2029 -2.1106 -0.6910 -0.5514 1.4967 1.6304 1.9618 2.1572 2.5822 2.5970 3.9270 3.9394 5.1827 5.2272 6.2545 6.2653 7.6080 7.6728 7.8354 7.8438 k = 0.0000 0.4714-0.0000 ( 4280 PWs) bands (ev): -11.1193 -11.1141 -11.0735 -11.0727 -11.0313 -11.0309 -11.0295 -11.0292 -10.6816 -10.6760 -10.6227 -10.6193 -10.6024 -10.6001 -10.5840 -10.5832 -10.5611 -10.5606 -10.5601 -10.5599 -7.3046 -7.3044 -5.3912 -5.3907 -2.1934 -2.1316 -0.6760 -0.5827 1.5146 1.6076 1.9844 2.1204 2.5772 2.5890 3.9215 3.9296 5.1989 5.2290 6.2669 6.2744 7.6182 7.6630 7.8461 7.8518 k = 0.0000 0.4857-0.0000 ( 4282 PWs) bands (ev): -11.1180 -11.1154 -11.0733 -11.0729 -11.0310 -11.0308 -11.0296 -11.0295 -10.6802 -10.6774 -10.6219 -10.6202 -10.6018 -10.6006 -10.5838 -10.5834 -10.5610 -10.5608 -10.5601 -10.5600 -7.2995 -7.2994 -5.3934 -5.3931 -2.1816 -2.1506 -0.6575 -0.6108 1.5357 1.5834 2.0130 2.0827 2.5766 2.5830 3.9188 3.9229 5.2119 5.2271 6.2753 6.2791 7.6292 7.6520 7.8533 7.8562 k = 0.0000 0.5000-0.0000 ( 4270 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6787 -10.6787 -10.6210 -10.6210 -10.6012 -10.6012 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2978 -7.2978 -5.3940 -5.3940 -2.1672 -2.1672 -0.6358 -0.6358 1.5590 1.5590 2.0462 2.0462 2.5788 2.5788 3.9193 3.9193 5.2214 5.2214 6.2794 6.2794 7.6406 7.6406 7.8566 7.8566 k = 0.0000 0.5000-0.0000 ( 4270 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6787 -10.6787 -10.6210 -10.6210 -10.6012 -10.6012 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2978 -7.2978 -5.3940 -5.3940 -2.1672 -2.1672 -0.6358 -0.6358 1.5590 1.5590 2.0462 2.0462 2.5788 2.5788 3.9193 3.9193 5.2214 5.2214 6.2794 6.2794 7.6406 7.6406 7.8566 7.8566 k = 0.0143 0.5000-0.0000 ( 4278 PWs) bands (ev): -11.1186 -11.1148 -11.0736 -11.0727 -11.0310 -11.0307 -11.0296 -11.0296 -10.6809 -10.6765 -10.6219 -10.6201 -10.6014 -10.6009 -10.5837 -10.5836 -10.5610 -10.5609 -10.5600 -10.5599 -7.2971 -7.2967 -5.3934 -5.3934 -2.1686 -2.1664 -0.6547 -0.6215 1.5335 1.5813 2.0206 2.0709 2.5713 2.5805 3.9090 3.9176 5.1861 5.2808 6.2763 6.2923 7.5767 7.5814 7.9123 7.9184 k = 0.0286 0.5000-0.0000 ( 4278 PWs) bands (ev): -11.1205 -11.1128 -11.0741 -11.0721 -11.0312 -11.0306 -11.0296 -11.0296 -10.6830 -10.6743 -10.6228 -10.6192 -10.6017 -10.6006 -10.5837 -10.5835 -10.5612 -10.5611 -10.5599 -10.5597 -7.2946 -7.2938 -5.3915 -5.3914 -2.1706 -2.1662 -0.6782 -0.6122 1.5040 1.6016 1.9953 2.0941 2.5604 2.5745 3.8872 3.9041 5.1761 5.3627 6.2829 6.3148 7.4615 7.4672 8.0153 8.0253 k = 0.0429 0.5000-0.0000 ( 4276 PWs) bands (ev): -11.1223 -11.1108 -11.0745 -11.0716 -11.0314 -11.0305 -11.0295 -11.0295 -10.6850 -10.6721 -10.6237 -10.6184 -10.6019 -10.6003 -10.5838 -10.5835 -10.5614 -10.5614 -10.5597 -10.5594 -7.2904 -7.2891 -5.3884 -5.3882 -2.1732 -2.1666 -0.7059 -0.6082 1.4696 1.6206 1.9715 2.1156 2.5482 2.5597 3.8547 3.8795 5.1912 5.4643 6.2977 6.3455 7.3348 7.3410 8.0920 8.1095 k = 0.0571 0.5000-0.0000 ( 4280 PWs) bands (ev): -11.1240 -11.1088 -11.0749 -11.0711 -11.0316 -11.0305 -11.0295 -11.0295 -10.6869 -10.6698 -10.6245 -10.6175 -10.6021 -10.6000 -10.5839 -10.5835 -10.5616 -10.5616 -10.5595 -10.5592 -7.2844 -7.2827 -5.3840 -5.3838 -2.1764 -2.1676 -0.7379 -0.6099 1.4298 1.6391 1.9508 2.1354 2.5359 2.5365 3.8129 3.8450 5.2298 5.5831 6.3190 6.3827 7.2043 7.2109 8.0356 8.1240 k = 0.0714 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1256 -11.1069 -11.0752 -11.0706 -11.0318 -11.0305 -11.0295 -11.0294 -10.6887 -10.6676 -10.6253 -10.6166 -10.6023 -10.5996 -10.5840 -10.5835 -10.5619 -10.5619 -10.5593 -10.5589 -7.2767 -7.2746 -5.3783 -5.3781 -2.1803 -2.1692 -0.7740 -0.6179 1.3853 1.6575 1.9345 2.1538 2.5039 2.5264 3.7634 3.8021 5.2893 5.7162 6.3442 6.4240 7.0723 7.0795 7.9668 8.0767 k = 0.0857 0.5000-0.0000 ( 4286 PWs) bands (ev): -11.1271 -11.1051 -11.0755 -11.0701 -11.0320 -11.0306 -11.0295 -11.0294 -10.6904 -10.6654 -10.6261 -10.6158 -10.6025 -10.5993 -10.5841 -10.5835 -10.5622 -10.5621 -10.5591 -10.5586 -7.2672 -7.2648 -5.3715 -5.3713 -2.1848 -2.1714 -0.8141 -0.6326 1.3373 1.6762 1.9232 2.1708 2.4654 2.5187 3.7076 3.7522 5.3657 5.8609 6.3704 6.4672 6.9401 6.9481 7.8932 8.0091 k = 0.1000 0.5000-0.0000 ( 4272 PWs) bands (ev): -11.1285 -11.1034 -11.0756 -11.0695 -11.0322 -11.0306 -11.0295 -11.0292 -10.6919 -10.6633 -10.6268 -10.6149 -10.6026 -10.5989 -10.5842 -10.5835 -10.5625 -10.5624 -10.5589 -10.5584 -7.2560 -7.2532 -5.3635 -5.3632 -2.1901 -2.1743 -0.8581 -0.6546 1.2876 1.6954 1.9170 2.1867 2.4223 2.5136 3.6471 3.6970 5.4544 6.0142 6.3941 6.5099 6.8085 6.8181 7.8179 7.9294 k = 0.1143 0.5000-0.0000 ( 4286 PWs) bands (ev): -11.1298 -11.1018 -11.0756 -11.0690 -11.0325 -11.0307 -11.0295 -11.0292 -10.6933 -10.6613 -10.6274 -10.6141 -10.6028 -10.5985 -10.5844 -10.5836 -10.5628 -10.5627 -10.5587 -10.5581 -7.2433 -7.2402 -5.3544 -5.3541 -2.1961 -2.1779 -0.9060 -0.6843 1.2385 1.7154 1.9158 2.2012 2.3771 2.5111 3.5834 3.6379 5.5499 6.1725 6.4113 6.5496 6.6783 6.6920 7.7444 7.8423 k = 0.1286 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1310 -11.1005 -11.0755 -11.0685 -11.0328 -11.0308 -11.0295 -11.0291 -10.6946 -10.6594 -10.6280 -10.6133 -10.6029 -10.5981 -10.5845 -10.5836 -10.5630 -10.5629 -10.5585 -10.5579 -7.2290 -7.2256 -5.3442 -5.3439 -2.2029 -2.1822 -0.9576 -0.7219 1.1920 1.7361 1.9191 2.2135 2.3328 2.5110 3.5177 3.5762 5.6457 6.3271 6.4164 6.5505 6.5777 6.5847 7.6765 7.7519 k = 0.1429 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1320 -11.0993 -11.0752 -11.0680 -11.0330 -11.0309 -11.0295 -11.0290 -10.6957 -10.6577 -10.6284 -10.6126 -10.6029 -10.5977 -10.5847 -10.5837 -10.5633 -10.5632 -10.5583 -10.5576 -7.2131 -7.2095 -5.3330 -5.3326 -2.2106 -2.1873 -1.0127 -0.7676 1.1500 1.7576 1.9264 2.2195 2.2952 2.5132 3.4511 3.5133 5.7343 6.3531 6.4263 6.4963 6.5064 6.6133 7.6187 7.6637 k = 0.1571 0.5000-0.0000 ( 4268 PWs) bands (ev): -11.1329 -11.0984 -11.0747 -11.0675 -11.0332 -11.0310 -11.0295 -11.0289 -10.6966 -10.6562 -10.6286 -10.6118 -10.6029 -10.5973 -10.5848 -10.5837 -10.5636 -10.5634 -10.5581 -10.5574 -7.1958 -7.1920 -5.3209 -5.3205 -2.2191 -2.1931 -1.0709 -0.8212 1.1138 1.7796 1.9373 2.2071 2.2780 2.5173 3.3846 3.4500 5.8065 6.2552 6.3083 6.4729 6.6334 6.6412 7.5766 7.5857 k = 0.1714 0.5000-0.0000 ( 4268 PWs) bands (ev): -11.1337 -11.0978 -11.0740 -11.0669 -11.0335 -11.0311 -11.0295 -11.0289 -10.6973 -10.6550 -10.6287 -10.6112 -10.6029 -10.5968 -10.5850 -10.5837 -10.5638 -10.5637 -10.5579 -10.5572 -7.1772 -7.1732 -5.3079 -5.3074 -2.2286 -2.1998 -1.1320 -0.8821 1.0844 1.8020 1.9514 2.1768 2.2820 2.5231 3.3189 3.3874 5.8509 6.1377 6.2021 6.4519 6.6422 6.7564 7.5309 7.5562 k = 0.1857 0.5000-0.0000 ( 4280 PWs) bands (ev): -11.1344 -11.0975 -11.0732 -11.0665 -11.0338 -11.0312 -11.0296 -11.0289 -10.6979 -10.6541 -10.6286 -10.6106 -10.6029 -10.5964 -10.5852 -10.5838 -10.5641 -10.5640 -10.5577 -10.5570 -7.1573 -7.1532 -5.2940 -5.2935 -2.2390 -2.2074 -1.1956 -0.9498 1.0620 1.8243 1.9684 2.1437 2.2934 2.5303 3.2547 3.3260 5.8521 6.0170 6.1189 6.4256 6.6364 6.8225 7.5166 7.5617 k = 0.2000 0.5000-0.0000 ( 4290 PWs) bands (ev): -11.1349 -11.0975 -11.0722 -11.0660 -11.0340 -11.0314 -11.0296 -11.0288 -10.6984 -10.6535 -10.6283 -10.6100 -10.6027 -10.5960 -10.5855 -10.5839 -10.5644 -10.5642 -10.5576 -10.5568 -7.1363 -7.1321 -5.2795 -5.2789 -2.2505 -2.2158 -1.2613 -1.0232 1.0469 1.8456 1.9878 2.1141 2.3070 2.5387 3.1926 3.2665 5.8011 5.8965 6.0671 6.3913 6.6137 6.8266 7.5487 7.5916 k = 0.2143 0.5000-0.0000 ( 4290 PWs) bands (ev): -11.1353 -11.0976 -11.0711 -11.0654 -11.0343 -11.0315 -11.0296 -11.0288 -10.6986 -10.6531 -10.6277 -10.6095 -10.6026 -10.5955 -10.5857 -10.5840 -10.5646 -10.5645 -10.5574 -10.5566 -7.1142 -7.1099 -5.2643 -5.2637 -2.2630 -2.2251 -1.3284 -1.1012 1.0388 1.8647 2.0094 2.0909 2.3214 2.5480 3.1332 3.2095 5.7145 5.7778 6.0323 6.3493 6.5746 6.7805 7.6059 7.6369 k = 0.2286 0.5000-0.0000 ( 4286 PWs) bands (ev): -11.1356 -11.0980 -11.0699 -11.0649 -11.0345 -11.0316 -11.0296 -11.0288 -10.6987 -10.6531 -10.6270 -10.6091 -10.6023 -10.5951 -10.5859 -10.5841 -10.5648 -10.5647 -10.5572 -10.5564 -7.0911 -7.0869 -5.2485 -5.2480 -2.2767 -2.2354 -1.3964 -1.1828 1.0372 1.8797 2.0331 2.0761 2.3363 2.5579 3.0767 3.1554 5.6137 5.6615 5.9972 6.3003 6.5218 6.7055 7.6578 7.6815 k = 0.2429 0.5000-0.0000 ( 4284 PWs) bands (ev): -11.1357 -11.0986 -11.0687 -11.0644 -11.0347 -11.0317 -11.0297 -11.0288 -10.6986 -10.6533 -10.6261 -10.6088 -10.6020 -10.5946 -10.5862 -10.5842 -10.5651 -10.5650 -10.5571 -10.5562 -7.0674 -7.0632 -5.2324 -5.2318 -2.2914 -2.2467 -1.4648 -1.2667 1.0416 1.8885 2.0585 2.0719 2.3515 2.5682 3.0236 3.1044 5.5088 5.5480 5.9559 6.2455 6.4589 6.6163 7.6853 7.7090 k = 0.2571 0.5000-0.0000 ( 4284 PWs) bands (ev): -11.1357 -11.0993 -11.0674 -11.0639 -11.0349 -11.0319 -11.0297 -11.0288 -10.6983 -10.6538 -10.6251 -10.6085 -10.6016 -10.5941 -10.5864 -10.5843 -10.5653 -10.5652 -10.5569 -10.5560 -7.0430 -7.0389 -5.2160 -5.2154 -2.3073 -2.2589 -1.5328 -1.3517 1.0515 1.8903 2.0787 2.0854 2.3670 2.5785 2.9740 3.0567 5.4038 5.4376 5.9086 6.1864 6.3893 6.5208 7.6846 7.7107 k = 0.2714 0.5000-0.0000 ( 4294 PWs) bands (ev): -11.1356 -11.1002 -11.0662 -11.0634 -11.0351 -11.0321 -11.0298 -11.0288 -10.6979 -10.6545 -10.6240 -10.6083 -10.6012 -10.5937 -10.5867 -10.5844 -10.5655 -10.5654 -10.5568 -10.5559 -7.0183 -7.0143 -5.1993 -5.1988 -2.3243 -2.2722 -1.5998 -1.4368 1.0663 1.8865 2.0948 2.1136 2.3826 2.5888 2.9280 3.0126 5.3007 5.3307 5.8569 6.1240 6.3156 6.4233 7.6612 7.6882 k = 0.2857 0.5000-0.0000 ( 4298 PWs) bands (ev): -11.1354 -11.1011 -11.0651 -11.0630 -11.0353 -11.0322 -11.0298 -11.0289 -10.6973 -10.6553 -10.6229 -10.6082 -10.6007 -10.5932 -10.5870 -10.5845 -10.5657 -10.5657 -10.5566 -10.5557 -6.9932 -6.9895 -5.1827 -5.1821 -2.3425 -2.2865 -1.6651 -1.5207 1.0854 1.8792 2.1173 2.1428 2.3984 2.5986 2.8859 2.9721 5.2005 5.2275 5.8027 6.0597 6.2397 6.3262 7.6222 7.6485 k = 0.3000 0.5000-0.0000 ( 4294 PWs) bands (ev): -11.1350 -11.1021 -11.0639 -11.0625 -11.0355 -11.0324 -11.0298 -11.0289 -10.6966 -10.6563 -10.6218 -10.6081 -10.6002 -10.5928 -10.5873 -10.5846 -10.5659 -10.5659 -10.5565 -10.5556 -6.9682 -6.9646 -5.1661 -5.1655 -2.3618 -2.3019 -1.7281 -1.6026 1.1082 1.8701 2.1439 2.1730 2.4144 2.6078 2.8475 2.9351 5.1037 5.1284 5.7478 5.9945 6.1631 6.2310 7.5739 7.5983 k = 0.3143 0.5000-0.0000 ( 4298 PWs) bands (ev): -11.1346 -11.1032 -11.0629 -11.0620 -11.0356 -11.0325 -11.0298 -11.0289 -10.6957 -10.6573 -10.6206 -10.6081 -10.5997 -10.5923 -10.5876 -10.5848 -10.5661 -10.5661 -10.5563 -10.5555 -6.9433 -6.9399 -5.1497 -5.1492 -2.3821 -2.3184 -1.7881 -1.6813 1.1343 1.8600 2.1731 2.2037 2.4307 2.6161 2.8129 2.9017 5.0110 5.0337 5.6936 5.9296 6.0872 6.1387 7.5205 7.5427 k = 0.3286 0.5000-0.0000 ( 4286 PWs) bands (ev): -11.1340 -11.1044 -11.0619 -11.0615 -11.0357 -11.0327 -11.0298 -11.0289 -10.6947 -10.6585 -10.6195 -10.6081 -10.5991 -10.5919 -10.5878 -10.5849 -10.5662 -10.5662 -10.5562 -10.5553 -6.9188 -6.9157 -5.1338 -5.1332 -2.4033 -2.3362 -1.8447 -1.7561 1.1633 1.8493 2.2038 2.2349 2.4473 2.6231 2.7820 2.8718 4.9227 4.9436 5.6412 5.8658 6.0128 6.0501 7.4651 7.4850 k = 0.3429 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1333 -11.1056 -11.0611 -11.0610 -11.0358 -11.0329 -11.0298 -11.0290 -10.6936 -10.6598 -10.6184 -10.6081 -10.5985 -10.5915 -10.5881 -10.5850 -10.5664 -10.5664 -10.5561 -10.5552 -6.8950 -6.8921 -5.1183 -5.1178 -2.4251 -2.3553 -1.8972 -1.8259 1.1946 1.8377 2.2353 2.2662 2.4643 2.6288 2.7545 2.8451 4.8393 4.8585 5.5917 5.8040 5.9407 5.9659 7.4098 7.4273 k = 0.3571 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1326 -11.1069 -11.0607 -11.0603 -11.0359 -11.0330 -11.0298 -11.0290 -10.6924 -10.6611 -10.6174 -10.6082 -10.5980 -10.5911 -10.5884 -10.5851 -10.5665 -10.5665 -10.5559 -10.5552 -6.8720 -6.8694 -5.1035 -5.1030 -2.4473 -2.3757 -1.9453 -1.8900 1.2279 1.8251 2.2671 2.2974 2.4816 2.6327 2.7303 2.8213 4.7611 4.7787 5.5459 5.7449 5.8718 5.8866 7.3560 7.3713 k = 0.3714 0.5000-0.0000 ( 4282 PWs) bands (ev): -11.1317 -11.1083 -11.0602 -11.0596 -11.0359 -11.0332 -11.0298 -11.0291 -10.6911 -10.6625 -10.6165 -10.6083 -10.5974 -10.5908 -10.5886 -10.5853 -10.5667 -10.5667 -10.5558 -10.5551 -6.8503 -6.8479 -5.0896 -5.0891 -2.4694 -2.3974 -1.9887 -1.9477 1.2628 1.8112 2.2989 2.3283 2.4993 2.6347 2.7090 2.8003 4.6886 4.7047 5.5045 5.6893 5.8068 5.8126 7.3049 7.3182 k = 0.3857 0.5000-0.0000 ( 4288 PWs) bands (ev): -11.1308 -11.1097 -11.0598 -11.0590 -11.0359 -11.0334 -11.0298 -11.0292 -10.6898 -10.6640 -10.6156 -10.6084 -10.5969 -10.5906 -10.5888 -10.5855 -10.5668 -10.5668 -10.5557 -10.5550 -6.8299 -6.8279 -5.0766 -5.0762 -2.4909 -2.4203 -2.0273 -1.9986 1.2990 1.7956 2.3302 2.3585 2.5171 2.6346 2.6904 2.7817 4.6222 4.6368 5.4679 5.6376 5.7445 5.7461 7.2573 7.2687 k = 0.4000 0.5000-0.0000 ( 4292 PWs) bands (ev): -11.1298 -11.1111 -11.0595 -11.0585 -11.0359 -11.0336 -11.0298 -11.0292 -10.6883 -10.6655 -10.6147 -10.6086 -10.5963 -10.5906 -10.5888 -10.5856 -10.5670 -10.5669 -10.5556 -10.5550 -6.8112 -6.8095 -5.0648 -5.0644 -2.5112 -2.4440 -2.0610 -2.0422 1.3361 1.7781 2.3609 2.3878 2.5348 2.6321 2.6741 2.7652 4.5623 4.5753 5.4365 5.5903 5.6827 5.6905 7.2139 7.2236 k = 0.4143 0.5000-0.0000 ( 4300 PWs) bands (ev): -11.1287 -11.1125 -11.0591 -11.0582 -11.0358 -11.0338 -11.0298 -11.0293 -10.6868 -10.6670 -10.6140 -10.6088 -10.5958 -10.5907 -10.5886 -10.5858 -10.5671 -10.5670 -10.5555 -10.5550 -6.7945 -6.7929 -5.0542 -5.0538 -2.5297 -2.4679 -2.0900 -2.0787 1.3738 1.7585 2.3908 2.4160 2.5518 2.6271 2.6601 2.7503 4.5094 4.5207 5.4108 5.5476 5.6279 5.6404 7.1753 7.1834 k = 0.4286 0.5000-0.0000 ( 4300 PWs) bands (ev): -11.1276 -11.1139 -11.0588 -11.0579 -11.0357 -11.0340 -11.0298 -11.0294 -10.6852 -10.6686 -10.6133 -10.6090 -10.5953 -10.5910 -10.5884 -10.5860 -10.5672 -10.5671 -10.5554 -10.5550 -6.7798 -6.7785 -5.0450 -5.0447 -2.5457 -2.4912 -2.1143 -2.1083 1.4117 1.7366 2.4198 2.4429 2.5671 2.6195 2.6488 2.7366 4.4638 4.4735 5.3909 5.5095 5.5808 5.5964 7.1420 7.1486 k = 0.4429 0.5000-0.0000 ( 4300 PWs) bands (ev): -11.1264 -11.1154 -11.0585 -11.0577 -11.0356 -11.0342 -11.0298 -11.0294 -10.6836 -10.6702 -10.6126 -10.6092 -10.5948 -10.5913 -10.5882 -10.5862 -10.5672 -10.5672 -10.5553 -10.5550 -6.7674 -6.7665 -5.0373 -5.0371 -2.5586 -2.5130 -2.1340 -2.1314 1.4495 1.7123 2.4475 2.4681 2.5783 2.6093 2.6416 2.7237 4.4261 4.4339 5.3770 5.4756 5.5422 5.5589 7.1143 7.1195 k = 0.4571 0.5000-0.0000 ( 4296 PWs) bands (ev): -11.1251 -11.1168 -11.0582 -11.0576 -11.0355 -11.0344 -11.0297 -11.0295 -10.6820 -10.6719 -10.6120 -10.6095 -10.5943 -10.5916 -10.5879 -10.5864 -10.5673 -10.5672 -10.5553 -10.5550 -6.7576 -6.7569 -5.0312 -5.0310 -2.5678 -2.5325 -2.1493 -2.1486 1.4869 1.6857 2.4740 2.4916 2.5818 2.5966 2.6415 2.7113 4.3965 4.4025 5.3693 5.4458 5.5130 5.5284 7.0926 7.0965 k = 0.4714 0.5000-0.0000 ( 4288 PWs) bands (ev): -11.1238 -11.1182 -11.0580 -11.0575 -11.0353 -11.0346 -11.0297 -11.0295 -10.6803 -10.6735 -10.6115 -10.6098 -10.5938 -10.5920 -10.5876 -10.5866 -10.5673 -10.5673 -10.5552 -10.5550 -6.7504 -6.7499 -5.0268 -5.0266 -2.5729 -2.5489 -2.1604 -2.1602 1.5236 1.6570 2.4990 2.5131 2.5765 2.5815 2.6490 2.6989 4.3754 4.3795 5.3677 5.4200 5.4935 5.5052 7.0771 7.0797 k = 0.4857 0.5000-0.0000 ( 4292 PWs) bands (ev): -11.1225 -11.1197 -11.0578 -11.0576 -11.0352 -11.0348 -11.0297 -11.0296 -10.6786 -10.6752 -10.6110 -10.6101 -10.5933 -10.5924 -10.5873 -10.5868 -10.5673 -10.5673 -10.5551 -10.5550 -6.7460 -6.7458 -5.0241 -5.0240 -2.5736 -2.5614 -2.1671 -2.1669 1.5592 1.6261 2.5222 2.5325 2.5642 2.5653 2.6606 2.6862 4.3631 4.3652 5.3722 5.3987 5.4834 5.4897 7.0680 7.0693 k = 0.5000 0.5000-0.0000 ( 4328 PWs) bands (ev): -11.1211 -11.1211 -11.0577 -11.0577 -11.0350 -11.0350 -11.0297 -11.0297 -10.6770 -10.6770 -10.6106 -10.6106 -10.5929 -10.5929 -10.5871 -10.5871 -10.5674 -10.5674 -10.5551 -10.5551 -6.7446 -6.7446 -5.0232 -5.0232 -2.5697 -2.5697 -2.1692 -2.1692 1.5935 1.5935 2.5426 2.5426 2.5517 2.5517 2.6734 2.6734 4.3597 4.3597 5.3826 5.3826 5.4823 5.4823 7.0653 7.0653 k = 0.5000 0.5000-0.0000 ( 4328 PWs) bands (ev): -11.1211 -11.1211 -11.0577 -11.0577 -11.0350 -11.0350 -11.0297 -11.0297 -10.6770 -10.6770 -10.6106 -10.6106 -10.5929 -10.5929 -10.5871 -10.5871 -10.5674 -10.5674 -10.5551 -10.5551 -6.7446 -6.7446 -5.0232 -5.0232 -2.5697 -2.5697 -2.1692 -2.1692 1.5935 1.5935 2.5426 2.5426 2.5517 2.5517 2.6734 2.6734 4.3597 4.3597 5.3826 5.3826 5.4823 5.4823 7.0653 7.0653 k = 0.4900 0.4900-0.0000 ( 4300 PWs) bands (ev): -11.1225 -11.1197 -11.0578 -11.0576 -11.0352 -11.0348 -11.0297 -11.0296 -10.6786 -10.6753 -10.6110 -10.6102 -10.5933 -10.5924 -10.5873 -10.5868 -10.5673 -10.5673 -10.5551 -10.5550 -6.7460 -6.7458 -5.0241 -5.0240 -2.5736 -2.5615 -2.1672 -2.1669 1.5595 1.6259 2.5191 2.5439 2.5489 2.5723 2.6606 2.6862 4.3630 4.3651 5.3725 5.3981 5.4830 5.4902 7.0679 7.0692 k = 0.4800 0.4800-0.0000 ( 4284 PWs) bands (ev): -11.1238 -11.1183 -11.0580 -11.0575 -11.0353 -11.0346 -11.0297 -11.0295 -10.6803 -10.6736 -10.6114 -10.6098 -10.5938 -10.5920 -10.5876 -10.5866 -10.5673 -10.5673 -10.5552 -10.5550 -6.7503 -6.7498 -5.0267 -5.0266 -2.5733 -2.5487 -2.1606 -2.1604 1.5240 1.6566 2.4914 2.5382 2.5458 2.5952 2.6489 2.6991 4.3751 4.3790 5.3693 5.4154 5.4907 5.5097 7.0769 7.0794 k = 0.4700 0.4700-0.0000 ( 4294 PWs) bands (ev): -11.1251 -11.1169 -11.0582 -11.0575 -11.0355 -11.0344 -11.0297 -11.0295 -10.6819 -10.6719 -10.6120 -10.6095 -10.5942 -10.5916 -10.5879 -10.5864 -10.5673 -10.5672 -10.5552 -10.5550 -6.7574 -6.7567 -5.0309 -5.0307 -2.5692 -2.5316 -2.1497 -2.1491 1.4869 1.6857 2.4621 2.5292 2.5400 2.6120 2.6430 2.7124 4.3955 4.4013 5.3728 5.4311 5.5057 5.5442 7.0922 7.0959 k = 0.4600 0.4600-0.0000 ( 4294 PWs) bands (ev): -11.1264 -11.1154 -11.0585 -11.0576 -11.0356 -11.0342 -11.0298 -11.0294 -10.6836 -10.6703 -10.6125 -10.6092 -10.5947 -10.5913 -10.5882 -10.5862 -10.5672 -10.5672 -10.5553 -10.5550 -6.7672 -6.7663 -5.0367 -5.0365 -2.5618 -2.5103 -2.1348 -2.1326 1.4484 1.7129 2.4314 2.5168 2.5317 2.6118 2.6553 2.7264 4.4238 4.4312 5.3818 5.4448 5.5288 5.5933 7.1136 7.1187 k = 0.4500 0.4500-0.0000 ( 4302 PWs) bands (ev): -11.1276 -11.1140 -11.0589 -11.0577 -11.0358 -11.0340 -11.0298 -11.0294 -10.6852 -10.6687 -10.6131 -10.6091 -10.5952 -10.5909 -10.5885 -10.5860 -10.5672 -10.5671 -10.5554 -10.5550 -6.7798 -6.7786 -5.0438 -5.0435 -2.5516 -2.4852 -2.1156 -2.1107 1.4085 1.7379 2.3996 2.5010 2.5215 2.6043 2.6772 2.7414 4.4595 4.4683 5.3947 5.4582 5.5612 5.6550 7.1411 7.1476 k = 0.4400 0.4400-0.0000 ( 4294 PWs) bands (ev): -11.1288 -11.1125 -11.0593 -11.0579 -11.0359 -11.0338 -11.0298 -11.0293 -10.6868 -10.6670 -10.6138 -10.6089 -10.5957 -10.5906 -10.5888 -10.5858 -10.5671 -10.5671 -10.5555 -10.5550 -6.7949 -6.7935 -5.0521 -5.0517 -2.5392 -2.4568 -2.0919 -2.0831 1.3673 1.7604 2.3672 2.4817 2.5102 2.5978 2.7015 2.7576 4.5019 4.5118 5.4101 5.4725 5.6040 5.7275 7.1744 7.1825 k = 0.4300 0.4300-0.0000 ( 4298 PWs) bands (ev): -11.1299 -11.1110 -11.0597 -11.0581 -11.0360 -11.0337 -11.0297 -11.0293 -10.6884 -10.6655 -10.6145 -10.6088 -10.5962 -10.5903 -10.5892 -10.5856 -10.5670 -10.5670 -10.5556 -10.5550 -6.8125 -6.8109 -5.0614 -5.0609 -2.5251 -2.4257 -2.0635 -2.0498 1.3250 1.7797 2.3348 2.4595 2.4986 2.5940 2.7270 2.7753 4.5503 4.5609 5.4273 5.4885 5.6571 5.8092 7.2134 7.2231 k = 0.4200 0.4200-0.0000 ( 4294 PWs) bands (ev): -11.1310 -11.1096 -11.0602 -11.0583 -11.0361 -11.0335 -11.0297 -11.0292 -10.6900 -10.6639 -10.6152 -10.6088 -10.5968 -10.5900 -10.5895 -10.5854 -10.5669 -10.5668 -10.5557 -10.5550 -6.8325 -6.8307 -5.0713 -5.0708 -2.5098 -2.3926 -2.0302 -2.0105 1.2817 1.7952 2.3032 2.4351 2.4879 2.5933 2.7536 2.7945 4.6038 4.6147 5.4460 5.5068 5.7202 5.8993 7.2578 7.2692 k = 0.4100 0.4100-0.0000 ( 4282 PWs) bands (ev): -11.1320 -11.1081 -11.0608 -11.0586 -11.0362 -11.0334 -11.0296 -11.0291 -10.6915 -10.6623 -10.6159 -10.6088 -10.5972 -10.5899 -10.5897 -10.5851 -10.5667 -10.5667 -10.5558 -10.5550 -6.8548 -6.8527 -5.0818 -5.0812 -2.4937 -2.3582 -1.9916 -1.9653 1.2379 1.8059 2.2734 2.4095 2.4790 2.5958 2.7815 2.8154 4.6617 4.6724 5.4665 5.5277 5.7923 5.9966 7.3072 7.3205 k = 0.4000 0.4000-0.0000 ( 4286 PWs) bands (ev): -11.1330 -11.1067 -11.0614 -11.0589 -11.0363 -11.0333 -11.0295 -11.0291 -10.6930 -10.6608 -10.6167 -10.6089 -10.5978 -10.5902 -10.5895 -10.5849 -10.5666 -10.5665 -10.5559 -10.5551 -6.8793 -6.8770 -5.0927 -5.0920 -2.4770 -2.3231 -1.9476 -1.9144 1.1937 1.8107 2.2464 2.3835 2.4732 2.6014 2.8108 2.8380 4.7232 4.7333 5.4889 5.5515 5.8724 6.1005 7.3614 7.3768 k = 0.3900 0.3900-0.0000 ( 4290 PWs) bands (ev): -11.1340 -11.1052 -11.0620 -11.0593 -11.0364 -11.0332 -11.0294 -11.0290 -10.6944 -10.6594 -10.6175 -10.6090 -10.5983 -10.5906 -10.5893 -10.5847 -10.5665 -10.5664 -10.5561 -10.5552 -6.9059 -6.9033 -5.1037 -5.1029 -2.4600 -2.2878 -1.8982 -1.8579 1.1494 1.8091 2.2230 2.3576 2.4714 2.6100 2.8415 2.8624 4.7875 4.7964 5.5137 5.5784 5.9595 6.2101 7.4200 7.4376 k = 0.3800 0.3800-0.0000 ( 4290 PWs) bands (ev): -11.1349 -11.1038 -11.0626 -11.0597 -11.0365 -11.0332 -11.0293 -11.0290 -10.6958 -10.6580 -10.6183 -10.6092 -10.5988 -10.5910 -10.5891 -10.5845 -10.5664 -10.5662 -10.5562 -10.5552 -6.9342 -6.9314 -5.1147 -5.1138 -2.4427 -2.2527 -1.8435 -1.7963 1.1056 1.8006 2.2034 2.3326 2.4746 2.6215 2.8737 2.8886 4.8538 4.8611 5.5410 5.6085 6.0525 6.3248 7.4825 7.5025 k = 0.3700 0.3700-0.0000 ( 4290 PWs) bands (ev): -11.1357 -11.1024 -11.0633 -11.0601 -11.0366 -11.0332 -11.0291 -11.0289 -10.6972 -10.6566 -10.6192 -10.6095 -10.5993 -10.5914 -10.5890 -10.5843 -10.5663 -10.5660 -10.5563 -10.5553 -6.9643 -6.9613 -5.1255 -5.1246 -2.4252 -2.2180 -1.7836 -1.7298 1.0625 1.7857 2.1877 2.3088 2.4834 2.6361 2.9075 2.9167 4.9213 4.9266 5.5712 5.6421 6.1501 6.4437 7.5484 7.5711 k = 0.3600 0.3600-0.0000 ( 4298 PWs) bands (ev): -11.1365 -11.1011 -11.0641 -11.0605 -11.0367 -11.0332 -11.0290 -11.0288 -10.6985 -10.6553 -10.6200 -10.6098 -10.5998 -10.5917 -10.5889 -10.5842 -10.5661 -10.5659 -10.5565 -10.5554 -6.9958 -6.9926 -5.1362 -5.1351 -2.4075 -2.1840 -1.7190 -1.6589 1.0206 1.7653 2.1751 2.2866 2.4981 2.6535 2.9429 2.9466 4.9892 4.9921 5.6042 5.6790 6.2513 6.5661 7.6173 7.6429 k = 0.3500 0.3500-0.0000 ( 4290 PWs) bands (ev): -11.1371 -11.0998 -11.0648 -11.0610 -11.0368 -11.0332 -11.0288 -11.0287 -10.6996 -10.6541 -10.6209 -10.6102 -10.6003 -10.5921 -10.5887 -10.5840 -10.5660 -10.5656 -10.5566 -10.5555 -7.0287 -7.0253 -5.1465 -5.1454 -2.3897 -2.1507 -1.6500 -1.5838 0.9802 1.7408 2.1653 2.2665 2.5189 2.6737 2.9785 2.9800 5.0569 5.0572 5.6402 5.7193 6.3549 6.6913 7.6884 7.7173 k = 0.3400 0.3400-0.0000 ( 4291 PWs) bands (ev): -11.1378 -11.0985 -11.0656 -11.0615 -11.0370 -11.0333 -11.0287 -11.0286 -10.7008 -10.6529 -10.6218 -10.6106 -10.6008 -10.5924 -10.5886 -10.5838 -10.5658 -10.5654 -10.5567 -10.5556 -7.0627 -7.0591 -5.1564 -5.1552 -2.3717 -2.1181 -1.5770 -1.5049 0.9419 1.7136 2.1576 2.2486 2.5452 2.6967 3.0122 3.0188 5.1212 5.1235 5.6789 5.7625 6.4594 6.8184 7.7610 7.7935 k = 0.3300 0.3300-0.0000 ( 4295 PWs) bands (ev): -11.1383 -11.0973 -11.0664 -11.0620 -11.0371 -11.0333 -11.0286 -11.0284 -10.7018 -10.6518 -10.6227 -10.6111 -10.6012 -10.5927 -10.5886 -10.5836 -10.5657 -10.5652 -10.5569 -10.5557 -7.0977 -7.0939 -5.1658 -5.1646 -2.3537 -2.0863 -1.5007 -1.4227 0.9061 1.6850 2.1519 2.2331 2.5768 2.7224 3.0478 3.0593 5.1838 5.1886 5.7201 5.8083 6.5632 6.9463 7.8341 7.8706 k = 0.3200 0.3200-0.0000 ( 4299 PWs) bands (ev): -11.1388 -11.0962 -11.0672 -11.0625 -11.0373 -11.0334 -11.0285 -11.0282 -10.7028 -10.6507 -10.6237 -10.6117 -10.6017 -10.5930 -10.5885 -10.5834 -10.5655 -10.5650 -10.5570 -10.5558 -7.1335 -7.1295 -5.1749 -5.1736 -2.3355 -2.0553 -1.4212 -1.3374 0.8731 1.6561 2.1481 2.2203 2.6129 2.7506 3.0852 3.1014 5.2448 5.2517 5.7632 5.8559 6.6644 7.0739 7.9063 7.9474 k = 0.3100 0.3100-0.0000 ( 4303 PWs) bands (ev): -11.1393 -11.0951 -11.0680 -11.0631 -11.0375 -11.0335 -11.0284 -11.0280 -10.7036 -10.6498 -10.6246 -10.6123 -10.6021 -10.5933 -10.5885 -10.5833 -10.5653 -10.5648 -10.5572 -10.5560 -7.1698 -7.1657 -5.1834 -5.1821 -2.3173 -2.0253 -1.3392 -1.2492 0.8435 1.6278 2.1462 2.2103 2.6530 2.7813 3.1245 3.1451 5.3039 5.3124 5.8073 5.9043 6.7605 7.1996 7.9758 8.0221 k = 0.3000 0.3000-0.0000 ( 4299 PWs) bands (ev): -11.1396 -11.0941 -11.0688 -11.0636 -11.0377 -11.0336 -11.0283 -11.0277 -10.7044 -10.6489 -10.6255 -10.6130 -10.6025 -10.5935 -10.5884 -10.5831 -10.5652 -10.5645 -10.5573 -10.5561 -7.2065 -7.2023 -5.1915 -5.1901 -2.2991 -1.9963 -1.2549 -1.1585 0.8176 1.6008 2.1463 2.2032 2.6968 2.8144 3.1655 3.1904 5.3610 5.3705 5.8514 5.9526 6.8486 7.3212 8.0394 8.0917 k = 0.2900 0.2900-0.0000 ( 4313 PWs) bands (ev): -11.1399 -11.0932 -11.0696 -11.0642 -11.0379 -11.0337 -11.0282 -11.0275 -10.7051 -10.6482 -10.6265 -10.6138 -10.6029 -10.5938 -10.5884 -10.5830 -10.5650 -10.5643 -10.5575 -10.5562 -7.2436 -7.2392 -5.1991 -5.1977 -2.2809 -1.9684 -1.1687 -1.0656 0.7960 1.5757 2.1487 2.1991 2.7437 2.8498 3.2083 3.2372 5.4162 5.4257 5.8943 5.9994 6.9247 7.4357 8.0917 8.1505 k = 0.2800 0.2800-0.0000 ( 4313 PWs) bands (ev): -11.1401 -11.0923 -11.0704 -11.0648 -11.0381 -11.0339 -11.0281 -11.0273 -10.7056 -10.6475 -10.6274 -10.6146 -10.6032 -10.5939 -10.5884 -10.5829 -10.5648 -10.5641 -10.5576 -10.5564 -7.2806 -7.2761 -5.2062 -5.2048 -2.2629 -1.9420 -1.0809 -0.9706 0.7789 1.5528 2.1533 2.1980 2.7933 2.8873 3.2528 3.2855 5.4692 5.4776 5.9348 6.0434 6.9841 7.5382 8.1232 8.1870 k = 0.2700 0.2700-0.0000 ( 4301 PWs) bands (ev): -11.1402 -11.0916 -11.0711 -11.0653 -11.0383 -11.0340 -11.0279 -11.0271 -10.7060 -10.6469 -10.6283 -10.6154 -10.6034 -10.5940 -10.5884 -10.5828 -10.5646 -10.5638 -10.5577 -10.5565 -7.3175 -7.3129 -5.2130 -5.2115 -2.2450 -1.9171 -0.9918 -0.8738 0.7670 1.5327 2.1603 2.1999 2.8453 2.9268 3.2990 3.3352 5.5198 5.5257 5.9718 6.0836 7.0220 7.6211 8.1203 8.1815 k = 0.2600 0.2600-0.0000 ( 4305 PWs) bands (ev): -11.1402 -11.0910 -11.0718 -11.0659 -11.0385 -11.0341 -11.0278 -11.0269 -10.7064 -10.6465 -10.6293 -10.6164 -10.6035 -10.5942 -10.5884 -10.5827 -10.5644 -10.5636 -10.5579 -10.5566 -7.3543 -7.3496 -5.2193 -5.2178 -2.2274 -1.8938 -0.9017 -0.7754 0.7604 1.5155 2.1697 2.2048 2.8995 2.9682 3.3467 3.3861 5.5674 5.5690 6.0046 6.1189 7.0341 7.6725 8.0735 8.1207 k = 0.2500 0.2500-0.0000 ( 4289 PWs) bands (ev): -11.1402 -11.0905 -11.0725 -11.0665 -11.0387 -11.0342 -11.0277 -11.0267 -10.7065 -10.6461 -10.6301 -10.6174 -10.6036 -10.5942 -10.5884 -10.5826 -10.5642 -10.5633 -10.5580 -10.5568 -7.3906 -7.3858 -5.2252 -5.2237 -2.2101 -1.8725 -0.8108 -0.6756 0.7596 1.5014 2.1816 2.2127 2.9556 3.0114 3.3960 3.4382 5.6057 5.6111 6.0335 6.1489 7.0186 7.6784 7.9865 8.0178 k = 0.2400 0.2400-0.0000 ( 4305 PWs) bands (ev): -11.1401 -11.0901 -11.0731 -11.0671 -11.0390 -11.0344 -11.0276 -11.0266 -10.7066 -10.6459 -10.6311 -10.6185 -10.6036 -10.5943 -10.5885 -10.5826 -10.5640 -10.5631 -10.5581 -10.5569 -7.4265 -7.4217 -5.2308 -5.2293 -2.1931 -1.8533 -0.7194 -0.5745 0.7648 1.4907 2.1960 2.2236 3.0131 3.0561 3.4467 3.4914 5.6333 5.6494 6.0594 6.1738 6.9774 7.6324 7.8711 7.8931 k = 0.2300 0.2300-0.0000 ( 4305 PWs) bands (ev): -11.1399 -11.0900 -11.0737 -11.0677 -11.0392 -11.0345 -11.0274 -11.0264 -10.7066 -10.6458 -10.6319 -10.6197 -10.6035 -10.5943 -10.5885 -10.5826 -10.5638 -10.5628 -10.5582 -10.5571 -7.4617 -7.4568 -5.2361 -5.2346 -2.1766 -1.8362 -0.6278 -0.4725 0.7763 1.4835 2.2127 2.2372 3.0720 3.1022 3.4988 3.5454 5.6486 5.6801 6.0845 6.1949 6.9150 7.5442 7.7395 7.7582 k = 0.2200 0.2200-0.0000 ( 4301 PWs) bands (ev): -11.1397 -11.0899 -11.0742 -11.0682 -11.0394 -11.0347 -11.0273 -11.0262 -10.7064 -10.6459 -10.6328 -10.6209 -10.6033 -10.5943 -10.5885 -10.5827 -10.5636 -10.5626 -10.5583 -10.5572 -7.4961 -7.4912 -5.2410 -5.2395 -2.1605 -1.8214 -0.5361 -0.3695 0.7943 1.4798 2.2316 2.2535 3.1320 3.1496 3.5523 3.6001 5.6486 5.7004 6.1112 6.2145 6.8370 7.4299 7.6006 7.6198 k = 0.2100 0.2100-0.0000 ( 4301 PWs) bands (ev): -11.1393 -11.0901 -11.0746 -11.0688 -11.0396 -11.0348 -11.0271 -11.0261 -10.7061 -10.6460 -10.6336 -10.6221 -10.6031 -10.5943 -10.5886 -10.5827 -10.5634 -10.5624 -10.5584 -10.5573 -7.5296 -7.5248 -5.2457 -5.2442 -2.1449 -1.8090 -0.4444 -0.2659 0.8189 1.4797 2.2527 2.2722 3.1926 3.1979 3.6070 3.6554 5.6309 5.7070 6.1413 6.2354 6.7487 7.3015 7.4599 7.4818 k = 0.2000 0.2000-0.0000 ( 4303 PWs) bands (ev): -11.1389 -11.0904 -11.0749 -11.0694 -11.0398 -11.0350 -11.0270 -11.0259 -10.7056 -10.6463 -10.6344 -10.6234 -10.6028 -10.5943 -10.5886 -10.5828 -10.5632 -10.5622 -10.5585 -10.5575 -7.5622 -7.5574 -5.2500 -5.2486 -2.1298 -1.7990 -0.3531 -0.1618 0.8501 1.4832 2.2757 2.2933 3.2471 3.2536 3.6629 3.7109 5.5955 5.6972 6.1739 6.2604 6.6553 7.1659 7.3210 7.3472 k = 0.1900 0.1900-0.0000 ( 4303 PWs) bands (ev): -11.1384 -11.0909 -11.0752 -11.0699 -11.0400 -11.0352 -11.0268 -11.0258 -10.7050 -10.6466 -10.6352 -10.6248 -10.6024 -10.5942 -10.5887 -10.5829 -10.5629 -10.5620 -10.5586 -10.5576 -7.5937 -7.5890 -5.2542 -5.2528 -2.1153 -1.7913 -0.2621 -0.0576 0.8878 1.4902 2.3004 2.3164 3.2969 3.3147 3.7198 3.7664 5.5440 5.6701 6.2046 6.2909 6.5632 7.0272 7.1861 7.2180 k = 0.1800 0.1800-0.0000 ( 4299 PWs) bands (ev): -11.1378 -11.0915 -11.0754 -11.0704 -11.0401 -11.0353 -11.0267 -11.0257 -10.7043 -10.6471 -10.6360 -10.6261 -10.6019 -10.5941 -10.5888 -10.5830 -10.5627 -10.5618 -10.5587 -10.5578 -7.6241 -7.6194 -5.2581 -5.2567 -2.1013 -1.7860 -0.1717 0.0467 0.9318 1.5007 2.3266 2.3411 3.3470 3.3754 3.7777 3.8217 5.4790 5.6263 6.2204 6.3263 6.4856 6.8878 7.0573 7.0958 k = 0.1700 0.1700-0.0000 ( 4295 PWs) bands (ev): -11.1371 -11.0923 -11.0756 -11.0710 -11.0402 -11.0355 -11.0265 -11.0256 -10.7035 -10.6477 -10.6367 -10.6275 -10.6013 -10.5940 -10.5888 -10.5831 -10.5625 -10.5616 -10.5588 -10.5579 -7.6532 -7.6486 -5.2617 -5.2604 -2.0879 -1.7829 -0.0820 0.1506 0.9820 1.5146 2.3538 2.3672 3.3972 3.4352 3.8364 3.8764 5.4037 5.5681 6.1943 6.3642 6.4483 6.7495 6.9364 6.9824 k = 0.1600 0.1600-0.0000 ( 4291 PWs) bands (ev): -11.1364 -11.0932 -11.0757 -11.0714 -11.0403 -11.0356 -11.0264 -11.0254 -10.7025 -10.6484 -10.6373 -10.6289 -10.6007 -10.5939 -10.5889 -10.5833 -10.5623 -10.5614 -10.5588 -10.5580 -7.6810 -7.6765 -5.2651 -5.2639 -2.0751 -1.7818 0.0070 0.2539 1.0380 1.5317 2.3816 2.3942 3.4470 3.4939 3.8958 3.9302 5.3210 5.4981 6.1193 6.3994 6.4552 6.6140 6.8271 6.8817 k = 0.1500 0.1500-0.0000 ( 4291 PWs) bands (ev): -11.1356 -11.0942 -11.0758 -11.0719 -11.0404 -11.0358 -11.0263 -11.0253 -10.7014 -10.6493 -10.6380 -10.6302 -10.6001 -10.5938 -10.5890 -10.5835 -10.5620 -10.5612 -10.5589 -10.5582 -7.7074 -7.7030 -5.2684 -5.2671 -2.0627 -1.7827 0.0951 0.3561 1.0993 1.5519 2.4096 2.4216 3.4962 3.5507 3.9555 3.9825 5.2337 5.4194 6.0201 6.4200 6.4720 6.4848 6.7396 6.8016 k = 0.1400 0.1400-0.0000 ( 4299 PWs) bands (ev): -11.1347 -11.0954 -11.0759 -11.0724 -11.0405 -11.0360 -11.0262 -11.0253 -10.7002 -10.6502 -10.6386 -10.6316 -10.5995 -10.5936 -10.5891 -10.5838 -10.5618 -10.5611 -10.5589 -10.5583 -7.7324 -7.7282 -5.2714 -5.2702 -2.0509 -1.7853 0.1823 0.4568 1.1655 1.5751 2.4373 2.4488 3.5444 3.6052 4.0154 4.0331 5.1442 5.3346 5.9127 6.3483 6.4247 6.4587 6.6983 6.7569 k = 0.1300 0.1300-0.0000 ( 4291 PWs) bands (ev): -11.1337 -11.0966 -11.0760 -11.0728 -11.0405 -11.0362 -11.0260 -11.0252 -10.6989 -10.6513 -10.6392 -10.6328 -10.5988 -10.5935 -10.5892 -10.5840 -10.5616 -10.5609 -10.5590 -10.5584 -7.7558 -7.7518 -5.2742 -5.2731 -2.0394 -1.7894 0.2685 0.5552 1.2360 1.6012 2.4639 2.4750 3.5910 3.6567 4.0750 4.0813 5.0549 5.2464 5.8037 6.2276 6.3815 6.3988 6.7139 6.7561 k = 0.1200 0.1200-0.0000 ( 4291 PWs) bands (ev): -11.1327 -11.0978 -11.0761 -11.0733 -11.0405 -11.0364 -11.0259 -11.0251 -10.6975 -10.6525 -10.6397 -10.6340 -10.5981 -10.5934 -10.5894 -10.5843 -10.5614 -10.5608 -10.5590 -10.5586 -7.7777 -7.7739 -5.2769 -5.2758 -2.0284 -1.7949 0.3535 0.6508 1.3102 1.6301 2.4888 2.4997 3.6358 3.7047 4.1266 4.1335 4.9679 5.1571 5.6967 6.1114 6.3138 6.3170 6.7589 6.7871 k = 0.1100 0.1100-0.0000 ( 4287 PWs) bands (ev): -11.1316 -11.0992 -11.0762 -11.0737 -11.0404 -11.0365 -11.0258 -11.0250 -10.6959 -10.6538 -10.6401 -10.6351 -10.5974 -10.5932 -10.5895 -10.5846 -10.5612 -10.5607 -10.5590 -10.5587 -7.7980 -7.7945 -5.2793 -5.2783 -2.0177 -1.8016 0.4371 0.7424 1.3874 1.6618 2.5111 2.5217 3.6781 3.7486 4.1685 4.1902 4.8852 5.0691 5.5943 6.0016 6.2307 6.2356 6.8147 6.8338 k = 0.1000 0.1000-0.0000 ( 4283 PWs) bands (ev): -11.1304 -11.1006 -11.0762 -11.0740 -11.0403 -11.0367 -11.0257 -11.0250 -10.6943 -10.6552 -10.6406 -10.6362 -10.5967 -10.5930 -10.5896 -10.5850 -10.5610 -10.5606 -10.5590 -10.5588 -7.8166 -7.8134 -5.2815 -5.2806 -2.0074 -1.8092 0.5192 0.8290 1.4670 1.6964 2.5302 2.5404 3.7174 3.7878 4.2064 4.2437 4.8088 4.9842 5.4986 5.8990 6.1456 6.1551 6.8743 6.8873 k = 0.0900 0.0900-0.0000 ( 4275 PWs) bands (ev): -11.1292 -11.1020 -11.0763 -11.0744 -11.0402 -11.0369 -11.0256 -11.0249 -10.6926 -10.6568 -10.6409 -10.6371 -10.5960 -10.5928 -10.5897 -10.5853 -10.5608 -10.5605 -10.5591 -10.5589 -7.8336 -7.8306 -5.2835 -5.2827 -1.9972 -1.8176 0.5993 0.9093 1.5480 1.7339 2.5449 2.5545 3.7532 3.8218 4.2397 4.2920 4.7410 4.9046 5.4118 5.8040 6.0644 6.0762 6.9347 6.9431 k = 0.0800 0.0800-0.0000 ( 4267 PWs) bands (ev): -11.1279 -11.1034 -11.0763 -11.0747 -11.0401 -11.0371 -11.0255 -11.0249 -10.6907 -10.6584 -10.6412 -10.6380 -10.5952 -10.5927 -10.5899 -10.5857 -10.5606 -10.5604 -10.5591 -10.5590 -7.8488 -7.8461 -5.2853 -5.2846 -1.9872 -1.8267 0.6772 0.9815 1.6296 1.7747 2.5546 2.5633 3.7853 3.8503 4.2679 4.3320 4.6848 4.8321 5.3361 5.7169 5.9881 6.0010 6.9941 6.9985 k = 0.0700 0.0700-0.0000 ( 4275 PWs) bands (ev): -11.1266 -11.1050 -11.0764 -11.0750 -11.0400 -11.0373 -11.0254 -11.0249 -10.6889 -10.6602 -10.6415 -10.6388 -10.5946 -10.5925 -10.5901 -10.5862 -10.5604 -10.5603 -10.5591 -10.5591 -7.8623 -7.8599 -5.2869 -5.2863 -1.9774 -1.8363 0.7523 1.0442 1.7109 1.8190 2.5585 2.5658 3.8131 3.8731 4.2905 4.3598 4.6433 4.7684 5.2736 5.6376 5.9180 5.9309 7.0508 7.0514 k = 0.0600 0.0600-0.0000 ( 4267 PWs) bands (ev): -11.1252 -11.1065 -11.0764 -11.0753 -11.0399 -11.0375 -11.0253 -11.0249 -10.6869 -10.6621 -10.6417 -10.6394 -10.5938 -10.5923 -10.5902 -10.5866 -10.5602 -10.5602 -10.5592 -10.5591 -7.8740 -7.8719 -5.2883 -5.2878 -1.9676 -1.8462 0.8240 1.0957 1.7907 1.8664 2.5561 2.5616 3.8367 3.8903 4.3071 4.3718 4.6191 4.7151 5.2264 5.5659 5.8549 5.8671 7.0999 7.1034 k = 0.0500 0.0500-0.0000 ( 4259 PWs) bands (ev): -11.1237 -11.1081 -11.0764 -11.0755 -11.0397 -11.0377 -11.0252 -11.0248 -10.6849 -10.6640 -10.6419 -10.6400 -10.5932 -10.5921 -10.5904 -10.5870 -10.5601 -10.5600 -10.5593 -10.5591 -7.8839 -7.8822 -5.2895 -5.2890 -1.9578 -1.8564 0.8916 1.1348 1.8675 1.9166 2.5472 2.5504 3.8562 3.9022 4.3177 4.3689 4.6099 4.6732 5.1958 5.5012 5.7996 5.8108 7.1419 7.1503 k = 0.0400 0.0400-0.0000 ( 4251 PWs) bands (ev): -11.1223 -11.1097 -11.0764 -11.0757 -11.0395 -11.0379 -11.0251 -11.0248 -10.6829 -10.6660 -10.6420 -10.6405 -10.5925 -10.5918 -10.5905 -10.5875 -10.5600 -10.5599 -10.5594 -10.5592 -7.8920 -7.8906 -5.2905 -5.2901 -1.9480 -1.8667 0.9545 1.1609 1.9394 1.9678 2.5324 2.5332 3.8718 3.9095 4.3226 4.3574 4.6090 4.6429 5.1821 5.4427 5.7532 5.7627 7.1750 7.1894 k = 0.0300 0.0300-0.0000 ( 4251 PWs) bands (ev): -11.1208 -11.1113 -11.0764 -11.0759 -11.0393 -11.0381 -11.0251 -11.0248 -10.6808 -10.6680 -10.6420 -10.6409 -10.5920 -10.5915 -10.5907 -10.5881 -10.5600 -10.5598 -10.5595 -10.5592 -7.8983 -7.8972 -5.2912 -5.2909 -1.9382 -1.8771 1.0115 1.1737 2.0038 2.0175 2.5117 2.5130 3.8843 3.9130 4.3232 4.3438 4.6099 4.6233 5.1841 5.3897 5.7164 5.7239 7.1976 7.2177 k = 0.0200 0.0200-0.0000 ( 4249 PWs) bands (ev): -11.1192 -11.1129 -11.0764 -11.0760 -11.0391 -11.0383 -11.0250 -11.0249 -10.6787 -10.6701 -10.6420 -10.6413 -10.5917 -10.5909 -10.5909 -10.5886 -10.5599 -10.5597 -10.5595 -10.5593 -7.9027 -7.9020 -5.2917 -5.2915 -1.9282 -1.8875 1.0618 1.1736 2.0567 2.0614 2.4895 2.4920 3.8940 3.9133 4.3214 4.3321 4.6099 4.6125 5.1995 5.3414 5.6899 5.6951 7.2103 7.2315 k = 0.0100 0.0100-0.0000 ( 4261 PWs) bands (ev): -11.1177 -11.1145 -11.0764 -11.0762 -11.0389 -11.0385 -11.0250 -11.0249 -10.6766 -10.6723 -10.6420 -10.6416 -10.5915 -10.5911 -10.5904 -10.5892 -10.5598 -10.5597 -10.5595 -10.5594 -7.9054 -7.9050 -5.2920 -5.2919 -1.9182 -1.8978 1.1043 1.1613 2.0924 2.0932 2.4723 2.4744 3.9016 3.9113 4.3198 4.3241 4.6081 4.6087 5.2252 5.2976 5.6743 5.6770 7.2178 7.2313 k = 0.0000 0.0000 0.0000 ( 4273 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0250 -11.0250 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.9061 -7.9061 -5.2921 -5.2921 -1.9080 -1.9080 1.1379 1.1379 2.1052 2.1052 2.4665 2.4665 3.9073 3.9073 4.3202 4.3202 4.6075 4.6075 5.2585 5.2585 5.6700 5.6700 7.2247 7.2247 k = 0.0000 0.0000 0.0000 ( 4273 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0250 -11.0250 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.9061 -7.9061 -5.2921 -5.2921 -1.9080 -1.9080 1.1379 1.1379 2.1052 2.1052 2.4665 2.4665 3.9073 3.9073 4.3202 4.3202 4.6075 4.6075 5.2585 5.2585 5.6700 5.6700 7.2247 7.2247 k = 0.0000 0.0000 0.0141 ( 4257 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0249 -11.0249 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5597 -10.5597 -10.5594 -10.5594 -7.9057 -7.9057 -5.2936 -5.2936 -1.9048 -1.9048 1.1382 1.1382 2.1060 2.1060 2.4571 2.4571 3.9117 3.9117 4.3225 4.3225 4.6037 4.6037 5.2563 5.2563 5.6744 5.6744 7.2298 7.2298 k = 0.0000 0.0000 0.0283 ( 4253 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0249 -11.0249 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5594 -10.5594 -7.9047 -7.9047 -5.2981 -5.2981 -1.8952 -1.8952 1.1393 1.1393 2.1087 2.1087 2.4296 2.4296 3.9238 3.9238 4.3299 4.3299 4.5925 4.5925 5.2500 5.2500 5.6872 5.6872 7.2448 7.2448 k = 0.0000 0.0000 0.0424 ( 4253 PWs) bands (ev): -11.1161 -11.1161 -11.0763 -11.0763 -11.0387 -11.0387 -11.0249 -11.0249 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5594 -10.5594 -7.9029 -7.9029 -5.3056 -5.3056 -1.8794 -1.8794 1.1410 1.1410 2.1131 2.1131 2.3858 2.3858 3.9402 3.9402 4.3439 4.3439 4.5743 4.5743 5.2404 5.2404 5.7076 5.7076 7.2695 7.2695 k = 0.0000 0.0000 0.0566 ( 4253 PWs) bands (ev): -11.1160 -11.1160 -11.0763 -11.0763 -11.0387 -11.0387 -11.0249 -11.0249 -10.6744 -10.6744 -10.6418 -10.6418 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5594 -10.5594 -7.9004 -7.9004 -5.3158 -5.3158 -1.8574 -1.8574 1.1432 1.1432 2.1191 2.1191 2.3281 2.3281 3.9564 3.9564 4.3666 4.3666 4.5494 4.5494 5.2287 5.2287 5.7343 5.7343 7.3032 7.3032 k = 0.0000 0.0000 0.0707 ( 4269 PWs) bands (ev): -11.1160 -11.1160 -11.0764 -11.0764 -11.0387 -11.0387 -11.0250 -11.0250 -10.6744 -10.6744 -10.6419 -10.6419 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.8973 -7.8973 -5.3286 -5.3286 -1.8295 -1.8295 1.1460 1.1460 2.1268 2.1268 2.2594 2.2594 3.9683 3.9683 4.3999 4.3999 4.5186 4.5186 5.2161 5.2161 5.7662 5.7662 7.3451 7.3451 k = 0.0000 0.0000 0.0849 ( 4269 PWs) bands (ev): -11.1160 -11.1160 -11.0764 -11.0764 -11.0387 -11.0387 -11.0250 -11.0250 -10.6744 -10.6744 -10.6419 -10.6419 -10.5913 -10.5913 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.8936 -7.8936 -5.3437 -5.3437 -1.7960 -1.7960 1.1491 1.1491 2.1358 2.1358 2.1825 2.1825 3.9731 3.9731 4.4440 4.4440 4.4827 4.4827 5.2036 5.2036 5.8021 5.8021 7.3941 7.3941 k = 0.0000 0.0000 0.0990 ( 4273 PWs) bands (ev): -11.1160 -11.1160 -11.0765 -11.0765 -11.0386 -11.0386 -11.0250 -11.0250 -10.6744 -10.6744 -10.6419 -10.6419 -10.5914 -10.5914 -10.5898 -10.5898 -10.5598 -10.5598 -10.5595 -10.5595 -7.8893 -7.8893 -5.3608 -5.3608 -1.7572 -1.7572 1.1525 1.1525 2.0973 2.0973 2.1481 2.1481 3.9702 3.9702 4.4424 4.4424 4.4975 4.4975 5.1920 5.1920 5.8411 5.8411 7.4484 7.4484 k = 0.0000 0.0000 0.1131 ( 4269 PWs) bands (ev): -11.1159 -11.1159 -11.0765 -11.0765 -11.0386 -11.0386 -11.0251 -11.0251 -10.6744 -10.6744 -10.6420 -10.6420 -10.5914 -10.5914 -10.5899 -10.5899 -10.5598 -10.5598 -10.5595 -10.5595 -7.8845 -7.8845 -5.3796 -5.3796 -1.7135 -1.7135 1.1557 1.1557 2.0095 2.0095 2.1601 2.1601 3.9605 3.9605 4.3985 4.3985 4.5581 4.5581 5.1821 5.1821 5.8821 5.8821 7.5012 7.5012 k = 0.0000 0.0000 0.1273 ( 4273 PWs) bands (ev): -11.1159 -11.1159 -11.0766 -11.0766 -11.0386 -11.0386 -11.0251 -11.0251 -10.6743 -10.6743 -10.6420 -10.6420 -10.5914 -10.5914 -10.5899 -10.5899 -10.5598 -10.5598 -10.5595 -10.5595 -7.8793 -7.8793 -5.3998 -5.3998 -1.6652 -1.6652 1.1585 1.1585 1.9187 1.9187 2.1738 2.1738 3.9452 3.9452 4.3519 4.3519 4.6228 4.6228 5.1747 5.1747 5.9244 5.9244 7.5206 7.5206 k = 0.0000 0.0000 0.1414 ( 4269 PWs) bands (ev): -11.1158 -11.1158 -11.0767 -11.0767 -11.0385 -11.0385 -11.0251 -11.0251 -10.6743 -10.6743 -10.6420 -10.6420 -10.5914 -10.5914 -10.5899 -10.5899 -10.5598 -10.5598 -10.5595 -10.5595 -7.8737 -7.8737 -5.4210 -5.4210 -1.6129 -1.6129 1.1604 1.1604 1.8269 1.8269 2.1888 2.1888 3.9258 3.9258 4.3033 4.3033 4.6889 4.6889 5.1705 5.1705 5.9668 5.9668 7.4992 7.4992 k = 0.0000 0.0000 0.1556 ( 4269 PWs) bands (ev): -11.1158 -11.1158 -11.0767 -11.0767 -11.0385 -11.0385 -11.0251 -11.0251 -10.6743 -10.6743 -10.6421 -10.6421 -10.5914 -10.5914 -10.5899 -10.5899 -10.5598 -10.5598 -10.5596 -10.5596 -7.8677 -7.8677 -5.4428 -5.4428 -1.5570 -1.5570 1.1604 1.1604 1.7357 1.7357 2.2049 2.2049 3.9034 3.9034 4.2535 4.2535 4.7538 4.7538 5.1705 5.1705 6.0085 6.0085 7.4698 7.4698 k = 0.0000 0.0000 0.1697 ( 4273 PWs) bands (ev): -11.1158 -11.1158 -11.0768 -11.0768 -11.0384 -11.0384 -11.0252 -11.0252 -10.6743 -10.6743 -10.6421 -10.6421 -10.5914 -10.5914 -10.5900 -10.5900 -10.5598 -10.5598 -10.5596 -10.5596 -7.8616 -7.8616 -5.4650 -5.4650 -1.4980 -1.4980 1.1572 1.1572 1.6473 1.6473 2.2219 2.2219 3.8790 3.8790 4.2031 4.2031 4.8147 4.8147 5.1761 5.1761 6.0483 6.0483 7.4420 7.4420 k = 0.0000 0.0000 0.1838 ( 4273 PWs) bands (ev): -11.1157 -11.1157 -11.0769 -11.0769 -11.0384 -11.0384 -11.0252 -11.0252 -10.6743 -10.6743 -10.6421 -10.6421 -10.5914 -10.5914 -10.5900 -10.5900 -10.5598 -10.5598 -10.5596 -10.5596 -7.8554 -7.8554 -5.4871 -5.4871 -1.4364 -1.4364 1.1488 1.1488 1.5645 1.5645 2.2397 2.2397 3.8536 3.8536 4.1529 4.1529 4.8688 4.8688 5.1887 5.1887 6.0855 6.0855 7.4187 7.4187 k = 0.0000 0.0000 0.1980 ( 4273 PWs) bands (ev): -11.1157 -11.1157 -11.0769 -11.0769 -11.0383 -11.0383 -11.0252 -11.0252 -10.6743 -10.6743 -10.6422 -10.6422 -10.5913 -10.5913 -10.5900 -10.5900 -10.5598 -10.5598 -10.5596 -10.5596 -7.8492 -7.8492 -5.5089 -5.5089 -1.3729 -1.3729 1.1319 1.1319 1.4914 1.4914 2.2579 2.2579 3.8279 3.8279 4.1035 4.1035 4.9138 4.9138 5.2098 5.2098 6.1189 6.1189 7.4012 7.4012 k = 0.0000 0.0000 0.2121 ( 4257 PWs) bands (ev): -11.1156 -11.1156 -11.0769 -11.0769 -11.0383 -11.0383 -11.0252 -11.0252 -10.6743 -10.6743 -10.6422 -10.6422 -10.5913 -10.5913 -10.5901 -10.5901 -10.5598 -10.5598 -10.5596 -10.5596 -7.8429 -7.8429 -5.5300 -5.5300 -1.3081 -1.3081 1.1023 1.1023 1.4324 1.4324 2.2764 2.2764 3.8024 3.8024 4.0555 4.0555 4.9484 4.9484 5.2396 5.2396 6.1480 6.1480 7.3903 7.3903 k = 0.0000 0.0000 0.2263 ( 4258 PWs) bands (ev): -11.1156 -11.1156 -11.0770 -11.0770 -11.0382 -11.0382 -11.0253 -11.0253 -10.6743 -10.6743 -10.6422 -10.6422 -10.5913 -10.5913 -10.5901 -10.5901 -10.5598 -10.5598 -10.5596 -10.5596 -7.8370 -7.8370 -5.5501 -5.5501 -1.2429 -1.2429 1.0580 1.0580 1.3906 1.3906 2.2949 2.2949 3.7777 3.7777 4.0095 4.0095 4.9733 4.9733 5.2764 5.2764 6.1721 6.1721 7.3860 7.3860 k = 0.0000 0.0000 0.2404 ( 4258 PWs) bands (ev): -11.1155 -11.1155 -11.0771 -11.0771 -11.0382 -11.0382 -11.0253 -11.0253 -10.6743 -10.6743 -10.6422 -10.6422 -10.5913 -10.5913 -10.5902 -10.5902 -10.5598 -10.5598 -10.5596 -10.5596 -7.8313 -7.8313 -5.5689 -5.5689 -1.1781 -1.1781 1.0010 1.0010 1.3647 1.3647 2.3130 2.3130 3.7544 3.7544 3.9661 3.9661 4.9907 4.9907 5.3173 5.3173 6.1913 6.1913 7.3879 7.3879 k = 0.0000 0.0000 0.2546 ( 4258 PWs) bands (ev): -11.1155 -11.1155 -11.0771 -11.0771 -11.0381 -11.0381 -11.0253 -11.0253 -10.6742 -10.6742 -10.6423 -10.6423 -10.5913 -10.5913 -10.5902 -10.5902 -10.5598 -10.5598 -10.5596 -10.5596 -7.8260 -7.8260 -5.5861 -5.5861 -1.1148 -1.1148 0.9367 0.9367 1.3501 1.3501 2.3303 2.3303 3.7328 3.7328 3.9259 3.9259 5.0029 5.0029 5.3589 5.3589 6.2057 6.2057 7.3952 7.3952 k = 0.0000 0.0000 0.2687 ( 4266 PWs) bands (ev): -11.1155 -11.1155 -11.0772 -11.0772 -11.0381 -11.0381 -11.0254 -11.0254 -10.6743 -10.6743 -10.6423 -10.6423 -10.5913 -10.5913 -10.5903 -10.5903 -10.5599 -10.5599 -10.5597 -10.5597 -7.8211 -7.8211 -5.6016 -5.6016 -1.0542 -1.0542 0.8707 0.8707 1.3425 1.3425 2.3465 2.3465 3.7134 3.7134 3.8895 3.8895 5.0117 5.0117 5.3989 5.3989 6.2158 6.2158 7.4065 7.4065 k = 0.0000 0.0000 0.2828 ( 4270 PWs) bands (ev): -11.1155 -11.1155 -11.0772 -11.0772 -11.0381 -11.0381 -11.0254 -11.0254 -10.6743 -10.6743 -10.6423 -10.6423 -10.5913 -10.5913 -10.5903 -10.5903 -10.5599 -10.5599 -10.5597 -10.5597 -7.8169 -7.8169 -5.6151 -5.6151 -0.9980 -0.9980 0.8072 0.8072 1.3389 1.3389 2.3612 2.3612 3.6964 3.6964 3.8574 3.8574 5.0182 5.0182 5.4352 5.4352 6.2223 6.2223 7.4201 7.4201 k = 0.0000 0.0000 0.2970 ( 4286 PWs) bands (ev): -11.1155 -11.1155 -11.0773 -11.0773 -11.0381 -11.0381 -11.0254 -11.0254 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8133 -7.8133 -5.6264 -5.6264 -0.9478 -0.9478 0.7497 0.7497 1.3375 1.3375 2.3739 2.3739 3.6822 3.6822 3.8303 3.8303 5.0230 5.0230 5.4666 5.4666 6.2262 6.2262 7.4344 7.4344 k = 0.0000 0.0000 0.3111 ( 4286 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0381 -11.0381 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8104 -7.8104 -5.6353 -5.6353 -0.9056 -0.9056 0.7013 0.7013 1.3373 1.3373 2.3843 2.3843 3.6709 3.6709 3.8085 3.8085 5.0266 5.0266 5.4919 5.4919 6.2283 6.2283 7.4476 7.4476 k = 0.0000 0.0000 0.3253 ( 4278 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0380 -11.0380 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8083 -7.8083 -5.6418 -5.6418 -0.8736 -0.8736 0.6644 0.6644 1.3374 1.3374 2.3920 2.3920 3.6627 3.6627 3.7926 3.7926 5.0290 5.0290 5.5105 5.5105 6.2292 6.2292 7.4583 7.4583 k = 0.0000 0.0000 0.3394 ( 4282 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0380 -11.0380 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8070 -7.8070 -5.6457 -5.6457 -0.8534 -0.8534 0.6412 0.6412 1.3377 1.3377 2.3967 2.3967 3.6578 3.6578 3.7829 3.7829 5.0305 5.0305 5.5219 5.5219 6.2295 6.2295 7.4651 7.4651 k = 0.0000 0.0000 0.3536 ( 4282 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0380 -11.0380 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8066 -7.8066 -5.6470 -5.6470 -0.8465 -0.8465 0.6333 0.6333 1.3378 1.3378 2.3983 2.3983 3.6561 3.6561 3.7797 3.7797 5.0310 5.0310 5.5257 5.5257 6.2296 6.2296 7.4675 7.4675 k = 0.0000 0.0000 0.3536 ( 4282 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0380 -11.0380 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8066 -7.8066 -5.6470 -5.6470 -0.8465 -0.8465 0.6333 0.6333 1.3378 1.3378 2.3983 2.3983 3.6561 3.6561 3.7797 3.7797 5.0310 5.0310 5.5257 5.5257 6.2296 6.2296 7.4675 7.4675 k = 0.0000 0.0143 0.3536 ( 4282 PWs) bands (ev): -11.1170 -11.1138 -11.0774 -11.0772 -11.0382 -11.0378 -11.0255 -11.0254 -10.6764 -10.6721 -10.6425 -10.6422 -10.5914 -10.5911 -10.5910 -10.5898 -10.5600 -10.5598 -10.5598 -10.5597 -7.8060 -7.8055 -5.6466 -5.6462 -0.8665 -0.8301 0.6224 0.6237 1.3000 1.3864 2.3964 2.4020 3.6484 3.6593 3.7763 3.7783 5.0100 5.0675 5.5245 5.5298 6.2323 6.2380 7.4576 7.4675 k = 0.0000 0.0286 0.3536 ( 4284 PWs) bands (ev): -11.1186 -11.1122 -11.0775 -11.0771 -11.0384 -11.0377 -11.0256 -11.0254 -10.6786 -10.6700 -10.6425 -10.6420 -10.5917 -10.5916 -10.5909 -10.5892 -10.5602 -10.5599 -10.5597 -10.5595 -7.8036 -7.8027 -5.6451 -5.6442 -0.8900 -0.8172 0.5883 0.5975 1.2764 1.4412 2.3964 2.4073 3.6353 3.6577 3.7687 3.7736 5.0052 5.1170 5.5259 5.5386 6.2464 6.2569 7.4379 7.4578 k = 0.0000 0.0429 0.3536 ( 4278 PWs) bands (ev): -11.1201 -11.1106 -11.0775 -11.0769 -11.0386 -11.0375 -11.0256 -11.0254 -10.6807 -10.6679 -10.6424 -10.6417 -10.5924 -10.5918 -10.5907 -10.5886 -10.5603 -10.5600 -10.5596 -10.5594 -7.7994 -7.7982 -5.6423 -5.6410 -0.9173 -0.8079 0.5317 0.5586 1.2674 1.4981 2.3983 2.4143 3.6157 3.6496 3.7592 3.7679 5.0152 5.1743 5.5302 5.5554 6.2712 6.2850 7.4093 7.4394 k = 0.0000 0.0571 0.3536 ( 4276 PWs) bands (ev): -11.1216 -11.1091 -11.0775 -11.0766 -11.0388 -11.0373 -11.0257 -11.0254 -10.6827 -10.6660 -10.6421 -10.6414 -10.5931 -10.5920 -10.5905 -10.5881 -10.5605 -10.5600 -10.5596 -10.5593 -7.7936 -7.7920 -5.6384 -5.6367 -0.9483 -0.8023 0.4559 0.5102 1.2710 1.5542 2.4024 2.4231 3.5890 3.6330 3.7513 3.7634 5.0372 5.2311 5.5386 5.5865 6.3060 6.3205 7.3732 7.4139 k = 0.0000 0.0714 0.3536 ( 4264 PWs) bands (ev): -11.1229 -11.1076 -11.0775 -11.0763 -11.0389 -11.0371 -11.0258 -11.0253 -10.6846 -10.6642 -10.6417 -10.6410 -10.5938 -10.5921 -10.5903 -10.5875 -10.5606 -10.5600 -10.5595 -10.5592 -7.7861 -7.7841 -5.6334 -5.6312 -0.9831 -0.8006 0.3656 0.4546 1.2839 1.6076 2.4090 2.4337 3.5558 3.6072 3.7475 3.7612 5.0668 5.2772 5.5530 5.6396 6.3493 6.3612 7.3317 7.3835 k = 0.0000 0.0857 0.3536 ( 4270 PWs) bands (ev): -11.1243 -11.1063 -11.0774 -11.0760 -11.0391 -11.0369 -11.0259 -11.0253 -10.6864 -10.6626 -10.6411 -10.6406 -10.5945 -10.5923 -10.5902 -10.5871 -10.5608 -10.5601 -10.5594 -10.5591 -7.7769 -7.7746 -5.6273 -5.6247 -1.0219 -0.8031 0.2654 0.3935 1.3029 1.6574 2.4183 2.4461 3.5173 3.5739 3.7476 3.7614 5.0983 5.3060 5.5754 5.7183 6.3995 6.4043 7.2875 7.3510 k = 0.0000 0.1000 0.3536 ( 4264 PWs) bands (ev): -11.1255 -11.1050 -11.0774 -11.0756 -11.0393 -11.0367 -11.0259 -11.0253 -10.6881 -10.6613 -10.6402 -10.6402 -10.5953 -10.5925 -10.5900 -10.5866 -10.5610 -10.5601 -10.5594 -10.5591 -7.7661 -7.7635 -5.6200 -5.6170 -1.0648 -0.8102 0.1590 0.3285 1.3261 1.7031 2.4305 2.4605 3.4753 3.5356 3.7507 3.7638 5.1261 5.3181 5.6076 5.8184 6.4473 6.4553 7.2441 7.3202 k = 0.0000 0.1143 0.3536 ( 4260 PWs) bands (ev): -11.1266 -11.1038 -11.0773 -11.0751 -11.0394 -11.0365 -11.0260 -11.0254 -10.6896 -10.6602 -10.6398 -10.6391 -10.5960 -10.5926 -10.5898 -10.5861 -10.5612 -10.5602 -10.5593 -10.5590 -7.7538 -7.7508 -5.6118 -5.6084 -1.1118 -0.8226 0.0496 0.2606 1.3519 1.7446 2.4458 2.4768 3.4315 3.4948 3.7561 3.7681 5.1455 5.3178 5.6488 5.9305 6.4883 6.5155 7.2055 7.2954 k = 0.0000 0.1286 0.3536 ( 4272 PWs) bands (ev): -11.1276 -11.1029 -11.0773 -11.0746 -11.0395 -11.0364 -11.0262 -11.0254 -10.6911 -10.6595 -10.6393 -10.6377 -10.5969 -10.5929 -10.5897 -10.5857 -10.5614 -10.5602 -10.5593 -10.5589 -7.7399 -7.7368 -5.6025 -5.5987 -1.1629 -0.8414 -0.0598 0.1909 1.3795 1.7823 2.4644 2.4952 3.3873 3.4531 3.7630 3.7740 5.1544 5.3085 5.6944 6.0427 6.5286 6.5801 7.1761 7.2814 k = 0.0000 0.1429 0.3536 ( 4280 PWs) bands (ev): -11.1285 -11.1020 -11.0772 -11.0741 -11.0396 -11.0362 -11.0263 -11.0255 -10.6923 -10.6589 -10.6389 -10.6362 -10.5977 -10.5931 -10.5895 -10.5854 -10.5616 -10.5603 -10.5593 -10.5589 -7.7247 -7.7213 -5.5924 -5.5882 -1.2181 -0.8677 -0.1663 0.1204 1.4083 1.8164 2.4863 2.5156 3.3438 3.4120 3.7711 3.7811 5.1528 5.2923 5.7365 6.1386 6.5764 6.6502 7.1601 7.2818 k = 0.0000 0.1571 0.3536 ( 4276 PWs) bands (ev): -11.1293 -11.1013 -11.0771 -11.0736 -11.0397 -11.0360 -11.0264 -11.0255 -10.6934 -10.6586 -10.6383 -10.6345 -10.5985 -10.5932 -10.5894 -10.5850 -10.5617 -10.5603 -10.5593 -10.5589 -7.7080 -7.7044 -5.5813 -5.5768 -1.2771 -0.9032 -0.2672 0.0497 1.4380 1.8475 2.5114 2.5381 3.3023 3.3725 3.7803 3.7894 5.1421 5.2703 5.7658 6.1974 6.6467 6.7288 7.1604 7.2986 k = 0.0000 0.1714 0.3536 ( 4288 PWs) bands (ev): -11.1300 -11.1007 -11.0770 -11.0730 -11.0397 -11.0358 -11.0265 -11.0256 -10.6944 -10.6585 -10.6379 -10.6327 -10.5994 -10.5935 -10.5892 -10.5847 -10.5619 -10.5603 -10.5592 -10.5589 -7.6900 -7.6863 -5.5695 -5.5646 -1.3398 -0.9498 -0.3596 -0.0205 1.4683 1.8758 2.5399 2.5626 3.2634 3.3356 3.7903 3.7986 5.1234 5.2430 5.7750 6.2089 6.7464 6.8185 7.1780 7.3320 k = 0.0000 0.1857 0.3536 ( 4284 PWs) bands (ev): -11.1305 -11.1003 -11.0769 -11.0725 -11.0396 -11.0356 -11.0266 -11.0257 -10.6951 -10.6585 -10.6373 -10.6308 -10.6003 -10.5936 -10.5891 -10.5844 -10.5620 -10.5603 -10.5592 -10.5588 -7.6709 -7.6671 -5.5569 -5.5517 -1.4058 -1.0087 -0.4412 -0.0896 1.4992 1.9019 2.5714 2.5892 3.2280 3.3018 3.8010 3.8087 5.0981 5.2106 5.7608 6.1819 6.8643 6.9189 7.2135 7.3815 k = 0.0000 0.2000 0.3536 ( 4288 PWs) bands (ev): -11.1310 -11.1001 -11.0768 -11.0719 -11.0396 -11.0354 -11.0268 -11.0258 -10.6957 -10.6587 -10.6368 -10.6289 -10.6011 -10.5938 -10.5889 -10.5841 -10.5622 -10.5604 -10.5592 -10.5588 -7.6506 -7.6468 -5.5437 -5.5383 -1.4746 -1.0800 -0.5112 -0.1573 1.5305 1.9261 2.6059 2.6178 3.1965 3.2719 3.8123 3.8194 5.0669 5.1734 5.7243 6.1295 6.9837 7.0228 7.2695 7.4475 k = 0.0000 0.2143 0.3536 ( 4284 PWs) bands (ev): -11.1312 -11.0999 -11.0767 -11.0714 -11.0394 -11.0352 -11.0269 -11.0259 -10.6961 -10.6590 -10.6362 -10.6269 -10.6020 -10.5940 -10.5887 -10.5839 -10.5623 -10.5604 -10.5592 -10.5588 -7.6294 -7.6256 -5.5300 -5.5242 -1.5458 -1.1624 -0.5701 -0.2233 1.5621 1.9486 2.6433 2.6483 3.1694 3.2462 3.8240 3.8308 5.0305 5.1316 5.6693 6.0607 7.0913 7.1167 7.3531 7.5311 k = 0.0000 0.2286 0.3536 ( 4276 PWs) bands (ev): -11.1314 -11.0999 -11.0766 -11.0710 -11.0392 -11.0350 -11.0270 -11.0261 -10.6963 -10.6593 -10.6357 -10.6250 -10.6029 -10.5942 -10.5885 -10.5836 -10.5624 -10.5604 -10.5592 -10.5588 -7.6074 -7.6035 -5.5158 -5.5098 -1.6188 -1.2530 -0.6201 -0.2874 1.5941 1.9698 2.6808 2.6833 3.1472 3.2251 3.8362 3.8426 4.9894 5.0852 5.6000 5.9813 7.1797 7.1906 7.4670 7.6306 k = 0.0000 0.2429 0.3536 ( 4260 PWs) bands (ev): -11.1314 -11.1000 -11.0764 -11.0706 -11.0389 -11.0348 -11.0272 -11.0262 -10.6963 -10.6598 -10.6350 -10.6231 -10.6037 -10.5944 -10.5884 -10.5834 -10.5625 -10.5603 -10.5592 -10.5588 -7.5846 -7.5808 -5.5012 -5.4950 -1.6930 -1.3490 -0.6632 -0.3493 1.6264 1.9897 2.7150 2.7257 3.1301 3.2090 3.8487 3.8547 4.9440 5.0346 5.5203 5.8945 7.2475 7.2487 7.6008 7.7384 k = 0.0000 0.2571 0.3536 ( 4262 PWs) bands (ev): -11.1314 -11.1002 -11.0763 -11.0703 -11.0386 -11.0346 -11.0273 -11.0263 -10.6962 -10.6603 -10.6345 -10.6214 -10.6046 -10.5946 -10.5882 -10.5833 -10.5625 -10.5603 -10.5593 -10.5588 -7.5613 -7.5577 -5.4864 -5.4800 -1.7677 -1.4479 -0.7014 -0.4091 1.6588 2.0085 2.7509 2.7703 3.1184 3.1981 3.8613 3.8671 4.8948 4.9800 5.4333 5.8027 7.2943 7.3023 7.7408 7.8359 k = 0.0000 0.2714 0.3536 ( 4262 PWs) bands (ev): -11.1312 -11.1006 -11.0762 -11.0701 -11.0383 -11.0343 -11.0275 -11.0265 -10.6959 -10.6609 -10.6338 -10.6197 -10.6055 -10.5948 -10.5880 -10.5832 -10.5626 -10.5603 -10.5593 -10.5589 -7.5377 -7.5342 -5.4714 -5.4650 -1.8422 -1.5473 -0.7362 -0.4665 1.6913 2.0262 2.7884 2.8169 3.1122 3.1927 3.8740 3.8796 4.8422 4.9217 5.3414 5.7073 7.3349 7.3450 7.8433 7.8677 k = 0.0000 0.2857 0.3536 ( 4258 PWs) bands (ev): -11.1308 -11.1010 -11.0760 -11.0700 -11.0379 -11.0341 -11.0276 -11.0266 -10.6954 -10.6615 -10.6332 -10.6181 -10.6063 -10.5950 -10.5878 -10.5831 -10.5626 -10.5603 -10.5594 -10.5589 -7.5139 -7.5106 -5.4564 -5.4499 -1.9158 -1.6459 -0.7684 -0.5216 1.7238 2.0428 2.8272 2.8649 3.1117 3.1930 3.8866 3.8922 4.7866 4.8603 5.2463 5.6095 7.3713 7.3804 7.7969 7.8240 k = 0.0000 0.3000 0.3536 ( 4264 PWs) bands (ev): -11.1304 -11.1016 -11.0759 -11.0699 -11.0375 -11.0339 -11.0278 -11.0268 -10.6948 -10.6622 -10.6326 -10.6166 -10.6071 -10.5952 -10.5876 -10.5831 -10.5626 -10.5603 -10.5594 -10.5589 -7.4901 -7.4870 -5.4416 -5.4351 -1.9879 -1.7423 -0.7986 -0.5743 1.7561 2.0583 2.8671 2.9141 3.1170 3.1992 3.8992 3.9047 4.7285 4.7963 5.1493 5.5101 7.4045 7.4108 7.7460 7.7707 k = 0.0000 0.3143 0.3536 ( 4268 PWs) bands (ev): -11.1299 -11.1022 -11.0757 -11.0699 -11.0371 -11.0337 -11.0280 -11.0270 -10.6941 -10.6630 -10.6319 -10.6154 -10.6077 -10.5954 -10.5875 -10.5831 -10.5626 -10.5603 -10.5595 -10.5590 -7.4666 -7.4637 -5.4269 -5.4205 -2.0577 -1.8355 -0.8272 -0.6244 1.7882 2.0727 2.9077 2.9636 3.1284 3.2118 3.9114 3.9169 4.6683 4.7300 5.0517 5.4097 7.4351 7.4378 7.6955 7.7185 k = 0.0000 0.3286 0.3536 ( 4276 PWs) bands (ev): -11.1293 -11.1030 -11.0756 -11.0700 -11.0366 -11.0335 -11.0282 -11.0273 -10.6932 -10.6638 -10.6313 -10.6145 -10.6081 -10.5957 -10.5873 -10.5831 -10.5626 -10.5603 -10.5596 -10.5590 -7.4435 -7.4408 -5.4127 -5.4063 -2.1248 -1.9248 -0.8541 -0.6720 1.8200 2.0858 2.9486 3.0127 3.1461 3.2313 3.9234 3.9289 4.6066 4.6621 4.9542 5.3089 7.4625 7.4634 7.6464 7.6681 k = 0.0000 0.3429 0.3536 ( 4270 PWs) bands (ev): -11.1286 -11.1038 -11.0754 -11.0701 -11.0361 -11.0332 -11.0284 -11.0275 -10.6923 -10.6647 -10.6306 -10.6141 -10.6081 -10.5959 -10.5871 -10.5831 -10.5626 -10.5603 -10.5597 -10.5591 -7.4210 -7.4186 -5.3989 -5.3927 -2.1885 -2.0096 -0.8794 -0.7168 1.8511 2.0975 2.9894 3.0602 3.1701 3.2581 3.9349 3.9405 4.5440 4.5932 4.8576 5.2081 7.4857 7.4894 7.5994 7.6203 k = 0.0000 0.3571 0.3536 ( 4274 PWs) bands (ev): -11.1278 -11.1047 -11.0752 -11.0703 -11.0356 -11.0330 -11.0286 -11.0277 -10.6912 -10.6657 -10.6299 -10.6141 -10.6077 -10.5962 -10.5869 -10.5832 -10.5625 -10.5602 -10.5598 -10.5591 -7.3994 -7.3973 -5.3857 -5.3798 -2.2481 -2.0892 -0.9030 -0.7588 1.8815 2.1078 3.0297 3.1053 3.2005 3.2927 3.9459 3.9515 4.4810 4.5239 4.7626 5.1078 7.5077 7.5118 7.5550 7.5769 k = 0.0000 0.3714 0.3536 ( 4276 PWs) bands (ev): -11.1269 -11.1056 -11.0750 -11.0705 -11.0351 -11.0327 -11.0288 -11.0279 -10.6900 -10.6667 -10.6292 -10.6146 -10.6070 -10.5964 -10.5867 -10.5833 -10.5624 -10.5602 -10.5599 -10.5592 -7.3790 -7.3771 -5.3733 -5.3677 -2.3033 -2.1633 -0.9246 -0.7978 1.9110 2.1165 3.0693 3.1472 3.2371 3.3347 3.9564 3.9620 4.4182 4.4548 4.6700 5.0085 7.5128 7.5159 7.5295 7.5533 k = 0.0000 0.3857 0.3536 ( 4268 PWs) bands (ev): -11.1259 -11.1067 -11.0748 -11.0707 -11.0346 -11.0325 -11.0290 -11.0282 -10.6888 -10.6677 -10.6285 -10.6152 -10.6061 -10.5967 -10.5865 -10.5834 -10.5623 -10.5602 -10.5600 -10.5592 -7.3599 -7.3582 -5.3618 -5.3565 -2.3534 -2.2314 -0.9441 -0.8338 1.9394 2.1234 3.1081 3.1862 3.2793 3.3831 3.9663 3.9717 4.3563 4.3865 4.5806 4.9104 7.4751 7.4847 7.5493 7.5664 k = 0.0000 0.4000 0.3536 ( 4266 PWs) bands (ev): -11.1249 -11.1077 -11.0746 -11.0710 -11.0341 -11.0322 -11.0293 -11.0284 -10.6875 -10.6688 -10.6277 -10.6160 -10.6052 -10.5970 -10.5863 -10.5835 -10.5622 -10.5601 -10.5601 -10.5593 -7.3424 -7.3410 -5.3512 -5.3464 -2.3980 -2.2932 -0.9612 -0.8666 1.9664 2.1286 3.1463 3.2225 3.3263 3.4360 3.9756 3.9807 4.2958 4.3197 4.4956 4.8141 7.4407 7.4503 7.5684 7.5846 k = 0.0000 0.4143 0.3536 ( 4282 PWs) bands (ev): -11.1238 -11.1089 -11.0745 -11.0713 -11.0337 -11.0320 -11.0295 -11.0287 -10.6862 -10.6700 -10.6270 -10.6168 -10.6043 -10.5974 -10.5861 -10.5837 -10.5621 -10.5603 -10.5601 -10.5594 -7.3267 -7.3256 -5.3418 -5.3375 -2.4367 -2.3483 -0.9758 -0.8961 1.9919 2.1317 3.1838 3.2563 3.3771 3.4911 3.9846 3.9888 4.2373 4.2554 4.4166 4.7201 7.4103 7.4190 7.5863 7.6017 k = 0.0000 0.4286 0.3536 ( 4284 PWs) bands (ev): -11.1227 -11.1101 -11.0742 -11.0716 -11.0333 -11.0317 -11.0298 -11.0289 -10.6848 -10.6711 -10.6262 -10.6177 -10.6035 -10.5977 -10.5859 -10.5838 -10.5620 -10.5604 -10.5600 -10.5594 -7.3131 -7.3121 -5.3335 -5.3299 -2.4691 -2.3964 -0.9877 -0.9222 2.0157 2.1328 3.2203 3.2873 3.4308 3.5461 3.9934 3.9959 4.1810 4.1944 4.3463 4.6291 7.3843 7.3916 7.6025 7.6167 k = 0.0000 0.4429 0.3536 ( 4276 PWs) bands (ev): -11.1215 -11.1113 -11.0740 -11.0719 -11.0328 -11.0314 -11.0300 -11.0292 -10.6834 -10.6724 -10.6254 -10.6186 -10.6027 -10.5981 -10.5856 -10.5840 -10.5618 -10.5606 -10.5600 -10.5595 -7.3016 -7.3008 -5.3265 -5.3235 -2.4949 -2.4373 -0.9965 -0.9448 2.0376 2.1317 3.2552 3.3144 3.4862 3.5978 4.0017 4.0022 4.1269 4.1383 4.2886 4.5420 7.3628 7.3687 7.6169 7.6291 k = 0.0000 0.4571 0.3536 ( 4268 PWs) bands (ev): -11.1202 -11.1125 -11.0737 -11.0721 -11.0324 -11.0311 -11.0303 -11.0294 -10.6820 -10.6736 -10.6246 -10.6194 -10.6019 -10.5985 -10.5854 -10.5842 -10.5616 -10.5607 -10.5599 -10.5596 -7.2924 -7.2919 -5.3209 -5.3186 -2.5137 -2.4709 -1.0022 -0.9638 2.0575 2.1283 3.2874 3.3361 3.5417 3.6423 4.0056 4.0110 4.0759 4.0891 4.2483 4.4601 7.3460 7.3504 7.6289 7.6387 k = 0.0000 0.4714 0.3536 ( 4268 PWs) bands (ev): -11.1190 -11.1138 -11.0735 -11.0724 -11.0320 -11.0308 -11.0306 -11.0297 -10.6805 -10.6750 -10.6238 -10.6203 -10.6012 -10.5990 -10.5852 -10.5844 -10.5615 -10.5608 -10.5599 -10.5596 -7.2858 -7.2854 -5.3168 -5.3152 -2.5253 -2.4969 -1.0046 -0.9792 2.0752 2.1225 3.3155 3.3505 3.5949 3.6742 4.0051 4.0169 4.0335 4.0517 4.2303 4.3851 7.3341 7.3370 7.6383 7.6451 k = 0.0000 0.4857 0.3536 ( 4276 PWs) bands (ev): -11.1177 -11.1151 -11.0732 -11.0727 -11.0316 -11.0310 -11.0305 -11.0300 -10.6791 -10.6763 -10.6229 -10.6212 -10.6006 -10.5995 -10.5850 -10.5846 -10.5613 -10.5610 -10.5598 -10.5597 -7.2818 -7.2816 -5.3141 -5.3133 -2.5295 -2.5154 -1.0036 -0.9910 2.0906 2.1143 3.3374 3.3558 3.6416 3.6866 3.9955 3.9979 4.0271 4.0339 4.2375 4.3200 7.3272 7.3287 7.6449 7.6483 k = 0.0000 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6777 -10.6777 -10.6221 -10.6221 -10.6000 -10.6000 -10.5848 -10.5848 -10.5612 -10.5612 -10.5598 -10.5598 -7.2804 -7.2804 -5.3130 -5.3130 -2.5263 -2.5263 -0.9991 -0.9991 2.1037 2.1037 3.3514 3.3514 3.6749 3.6749 3.9878 3.9878 4.0297 4.0297 4.2690 4.2690 7.3254 7.3254 7.6482 7.6482 k = 0.0000 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6777 -10.6777 -10.6221 -10.6221 -10.6000 -10.6000 -10.5848 -10.5848 -10.5612 -10.5612 -10.5598 -10.5598 -7.2804 -7.2804 -5.3130 -5.3130 -2.5263 -2.5263 -0.9991 -0.9991 2.1037 2.1037 3.3514 3.3514 3.6749 3.6749 3.9878 3.9878 4.0297 4.0297 4.2690 4.2690 7.3254 7.3254 7.6482 7.6482 k = 0.0143 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1184 -11.1144 -11.0735 -11.0725 -11.0316 -11.0310 -11.0305 -11.0301 -10.6798 -10.6755 -10.6230 -10.6212 -10.6003 -10.5997 -10.5848 -10.5847 -10.5612 -10.5611 -10.5599 -10.5597 -7.2797 -7.2792 -5.3124 -5.3124 -2.5266 -2.5251 -1.0121 -0.9880 2.0377 2.1494 3.3370 3.3560 3.6544 3.6856 3.8931 3.9226 4.0831 4.1314 4.2429 4.3381 7.3189 7.3249 7.6486 7.6538 k = 0.0286 0.5000 0.3536 ( 4264 PWs) bands (ev): -11.1202 -11.1124 -11.0739 -11.0719 -11.0320 -11.0307 -11.0305 -11.0299 -10.6819 -10.6733 -10.6238 -10.6202 -10.6006 -10.5994 -10.5849 -10.5847 -10.5612 -10.5611 -10.5600 -10.5595 -7.2772 -7.2763 -5.3108 -5.3107 -2.5262 -2.5232 -1.0270 -0.9788 1.9546 2.1729 3.3142 3.3510 3.6353 3.6603 3.7871 3.8564 4.1286 4.2439 4.2911 4.4315 7.3057 7.3175 7.6548 7.6655 k = 0.0429 0.5000 0.3536 ( 4264 PWs) bands (ev): -11.1220 -11.1104 -11.0744 -11.0714 -11.0323 -11.0309 -11.0302 -11.0297 -10.6839 -10.6711 -10.6247 -10.6193 -10.6008 -10.5991 -10.5849 -10.5846 -10.5612 -10.5611 -10.5601 -10.5595 -7.2730 -7.2717 -5.3081 -5.3079 -2.5251 -2.5205 -1.0439 -0.9718 1.8585 2.1743 3.2849 3.3378 3.5890 3.6178 3.6818 3.8175 4.1742 4.3556 4.3856 4.5432 7.2866 7.3036 7.6669 7.6835 k = 0.0571 0.5000 0.3536 ( 4268 PWs) bands (ev): -11.1238 -11.1084 -11.0748 -11.0709 -11.0327 -11.0311 -11.0299 -11.0295 -10.6858 -10.6689 -10.6256 -10.6184 -10.6011 -10.5987 -10.5850 -10.5846 -10.5612 -10.5611 -10.5602 -10.5594 -7.2671 -7.2654 -5.3042 -5.3041 -2.5232 -2.5171 -1.0628 -0.9671 1.7531 2.1551 3.2504 3.3181 3.4960 3.5638 3.6155 3.7820 4.2495 4.4642 4.4930 4.6694 7.2626 7.2842 7.6850 7.7082 k = 0.0714 0.5000 0.3536 ( 4280 PWs) bands (ev): -11.1254 -11.1065 -11.0752 -11.0703 -11.0331 -11.0314 -11.0296 -11.0293 -10.6876 -10.6668 -10.6264 -10.6176 -10.6013 -10.5984 -10.5851 -10.5846 -10.5613 -10.5611 -10.5604 -10.5593 -7.2595 -7.2574 -5.2994 -5.2992 -2.5206 -2.5129 -1.0838 -0.9650 1.6421 2.1186 3.2115 3.2927 3.3981 3.4621 3.5988 3.7421 4.3498 4.5696 4.6056 4.8062 7.2348 7.2603 7.7094 7.7400 k = 0.0857 0.5000 0.3536 ( 4280 PWs) bands (ev): -11.1270 -11.1046 -11.0755 -11.0698 -11.0335 -11.0316 -11.0293 -11.0291 -10.6893 -10.6647 -10.6271 -10.6167 -10.6015 -10.5980 -10.5852 -10.5847 -10.5613 -10.5611 -10.5605 -10.5593 -7.2501 -7.2476 -5.2935 -5.2933 -2.5174 -2.5080 -1.1072 -0.9660 1.5288 2.0688 3.1665 3.2598 3.3026 3.3625 3.5835 3.6989 4.4654 4.6725 4.7220 4.9500 7.2045 7.2331 7.7403 7.7794 k = 0.1000 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1284 -11.1029 -11.0756 -11.0693 -11.0338 -11.0318 -11.0290 -11.0290 -10.6909 -10.6627 -10.6278 -10.6159 -10.6017 -10.5976 -10.5853 -10.5846 -10.5613 -10.5611 -10.5606 -10.5592 -7.2391 -7.2363 -5.2866 -5.2864 -2.5136 -2.5025 -1.1331 -0.9705 1.4160 2.0095 3.1103 3.2079 3.2169 3.2800 3.5659 3.6535 4.5883 4.7733 4.8429 5.0976 7.1729 7.2039 7.7781 7.8270 k = 0.1143 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1297 -11.1013 -11.0757 -11.0687 -11.0342 -11.0320 -11.0288 -11.0288 -10.6923 -10.6608 -10.6284 -10.6150 -10.6018 -10.5972 -10.5853 -10.5847 -10.5613 -10.5611 -10.5607 -10.5591 -7.2265 -7.2233 -5.2788 -5.2785 -2.5093 -2.4964 -1.1616 -0.9791 1.3059 1.9446 3.0367 3.1247 3.1480 3.2278 3.5451 3.6064 4.7124 4.8723 4.9694 5.2463 7.1413 7.1739 7.8233 7.8836 k = 0.1286 0.5000 0.3536 ( 4292 PWs) bands (ev): -11.1309 -11.1000 -11.0756 -11.0682 -11.0346 -11.0323 -11.0287 -11.0285 -10.6936 -10.6591 -10.6289 -10.6143 -10.6019 -10.5969 -10.5854 -10.5847 -10.5614 -10.5611 -10.5609 -10.5591 -7.2123 -7.2089 -5.2700 -5.2697 -2.5046 -2.4898 -1.1929 -0.9923 1.2008 1.8772 2.9496 3.0296 3.0923 3.1869 3.5206 3.5574 4.8332 4.9696 5.1023 5.3940 7.1106 7.1442 7.8764 7.9497 k = 0.1429 0.5000 0.3536 ( 4292 PWs) bands (ev): -11.1320 -11.0989 -11.0753 -11.0677 -11.0349 -11.0325 -11.0285 -11.0283 -10.6948 -10.6576 -10.6293 -10.6135 -10.6020 -10.5965 -10.5855 -10.5848 -10.5614 -10.5611 -10.5610 -10.5591 -7.1967 -7.1930 -5.2604 -5.2601 -2.4995 -2.4827 -1.2271 -1.0109 1.1024 1.8100 2.8578 2.9335 3.0414 3.1466 3.4923 3.5066 4.9484 5.0652 5.2412 5.5388 7.0818 7.1158 7.9379 8.0262 k = 0.1571 0.5000 0.3536 ( 4292 PWs) bands (ev): -11.1329 -11.0980 -11.0748 -11.0672 -11.0353 -11.0327 -11.0283 -11.0280 -10.6958 -10.6563 -10.6295 -10.6128 -10.6021 -10.5961 -10.5856 -10.5848 -10.5615 -10.5611 -10.5611 -10.5591 -7.1796 -7.1757 -5.2500 -5.2496 -2.4942 -2.4753 -1.2643 -1.0355 1.0124 1.7450 2.7656 2.8392 2.9911 3.1047 3.4536 3.4600 5.0575 5.1590 5.3840 5.6791 7.0556 7.0895 8.0085 8.1135 k = 0.1714 0.5000 0.3536 ( 4292 PWs) bands (ev): -11.1337 -11.0975 -11.0741 -11.0667 -11.0357 -11.0329 -11.0282 -11.0278 -10.6966 -10.6553 -10.6294 -10.6121 -10.6020 -10.5956 -10.5857 -10.5849 -10.5615 -10.5612 -10.5611 -10.5591 -7.1611 -7.1571 -5.2389 -5.2385 -2.4887 -2.4675 -1.3045 -1.0664 0.9320 1.6839 2.6748 2.7476 2.9398 3.0606 3.3985 3.4238 5.1610 5.2511 5.5283 5.8134 7.0327 7.0659 8.0886 8.2116 k = 0.1857 0.5000 0.3536 ( 4300 PWs) bands (ev): -11.1344 -11.0973 -11.0733 -11.0662 -11.0360 -11.0332 -11.0281 -11.0276 -10.6973 -10.6546 -10.6292 -10.6115 -10.6020 -10.5952 -10.5858 -10.5850 -10.5616 -10.5613 -10.5611 -10.5591 -7.1415 -7.1373 -5.2271 -5.2267 -2.4832 -2.4596 -1.3476 -1.1041 0.8622 1.6280 2.5865 2.6592 2.8869 3.0142 3.3412 3.3837 5.2598 5.3414 5.6715 5.9406 7.0135 7.0456 8.1785 8.3200 k = 0.2000 0.5000 0.3536 ( 4308 PWs) bands (ev): -11.1350 -11.0973 -11.0722 -11.0657 -11.0364 -11.0334 -11.0279 -11.0274 -10.6978 -10.6542 -10.6288 -10.6110 -10.6019 -10.5948 -10.5859 -10.5851 -10.5617 -10.5614 -10.5612 -10.5591 -7.1207 -7.1165 -5.2147 -5.2143 -2.4778 -2.4516 -1.3934 -1.1486 0.8038 1.5781 2.5012 2.5744 2.8322 2.9656 3.2817 3.3398 5.3547 5.4302 5.8112 6.0599 6.9984 7.0289 8.2781 8.4348 k = 0.2143 0.5000 0.3536 ( 4308 PWs) bands (ev): -11.1354 -11.0975 -11.0711 -11.0652 -11.0367 -11.0336 -11.0278 -11.0272 -10.6981 -10.6540 -10.6281 -10.6105 -10.6017 -10.5943 -10.5860 -10.5852 -10.5618 -10.5614 -10.5612 -10.5591 -7.0989 -7.0946 -5.2019 -5.2014 -2.4727 -2.4437 -1.4416 -1.1997 0.7569 1.5348 2.4192 2.4935 2.7758 2.9148 3.2200 3.2923 5.4464 5.5173 5.9456 6.1710 6.9875 7.0161 8.3861 8.5387 k = 0.2286 0.5000 0.3536 ( 4316 PWs) bands (ev): -11.1357 -11.0980 -11.0699 -11.0647 -11.0370 -11.0339 -11.0277 -11.0271 -10.6982 -10.6542 -10.6273 -10.6101 -10.6015 -10.5939 -10.5860 -10.5854 -10.5619 -10.5614 -10.5612 -10.5592 -7.0762 -7.0719 -5.1886 -5.1881 -2.4680 -2.4360 -1.4918 -1.2566 0.7214 1.4986 2.3409 2.4169 2.7176 2.8622 3.1565 3.2414 5.5354 5.6031 6.0734 6.2736 6.9811 7.0073 8.4984 8.5855 k = 0.2429 0.5000 0.3536 ( 4324 PWs) bands (ev): -11.1358 -11.0986 -11.0686 -11.0642 -11.0373 -11.0341 -11.0276 -11.0269 -10.6982 -10.6546 -10.6264 -10.6098 -10.6012 -10.5935 -10.5861 -10.5856 -10.5620 -10.5615 -10.5612 -10.5592 -7.0527 -7.0485 -5.1750 -5.1745 -2.4638 -2.4286 -1.5436 -1.3187 0.6970 1.4695 2.2666 2.3447 2.6579 2.8079 3.0912 3.1873 5.6222 5.6875 6.1937 6.3683 6.9790 7.0025 8.5903 8.6011 k = 0.2571 0.5000 0.3536 ( 4324 PWs) bands (ev): -11.1359 -11.0994 -11.0673 -11.0637 -11.0376 -11.0343 -11.0275 -11.0268 -10.6981 -10.6552 -10.6254 -10.6095 -10.6008 -10.5930 -10.5862 -10.5857 -10.5621 -10.5615 -10.5613 -10.5593 -7.0287 -7.0246 -5.1612 -5.1607 -2.4604 -2.4216 -1.5963 -1.3849 0.6829 1.4477 2.1965 2.2773 2.5971 2.7524 3.0244 3.1302 5.7072 5.7708 6.3061 6.4553 6.9812 7.0017 8.5792 8.6600 k = 0.2714 0.5000 0.3536 ( 4308 PWs) bands (ev): -11.1357 -11.1002 -11.0661 -11.0632 -11.0378 -11.0345 -11.0273 -11.0266 -10.6977 -10.6559 -10.6242 -10.6093 -10.6004 -10.5926 -10.5862 -10.5859 -10.5621 -10.5615 -10.5613 -10.5593 -7.0042 -7.0002 -5.1473 -5.1468 -2.4580 -2.4153 -1.6493 -1.4538 0.6785 1.4330 2.1306 2.2148 2.5353 2.6958 2.9564 3.0704 5.7905 5.8532 6.4104 6.5354 6.9875 7.0048 8.5491 8.6502 k = 0.2857 0.5000 0.3536 ( 4312 PWs) bands (ev): -11.1355 -11.1013 -11.0649 -11.0627 -11.0381 -11.0348 -11.0272 -11.0265 -10.6972 -10.6569 -10.6231 -10.6092 -10.5999 -10.5922 -10.5863 -10.5861 -10.5622 -10.5615 -10.5613 -10.5593 -6.9795 -6.9757 -5.1334 -5.1329 -2.4566 -2.4099 -1.7019 -1.5243 0.6827 1.4252 2.0692 2.1574 2.4729 2.6387 2.8875 3.0081 5.8726 5.9347 6.5068 6.6092 6.9976 7.0115 8.5000 8.6001 k = 0.3000 0.5000 0.3536 ( 4292 PWs) bands (ev): -11.1352 -11.1023 -11.0637 -11.0622 -11.0382 -11.0350 -11.0271 -11.0264 -10.6966 -10.6579 -10.6220 -10.6090 -10.5994 -10.5917 -10.5863 -10.5863 -10.5622 -10.5615 -10.5613 -10.5594 -6.9548 -6.9512 -5.1197 -5.1191 -2.4565 -2.4056 -1.7533 -1.5950 0.6947 1.4239 2.0123 2.1054 2.4104 2.5812 2.8181 2.9438 5.9536 6.0155 6.5957 6.6775 7.0112 7.0217 8.4383 8.5347 k = 0.3143 0.5000 0.3536 ( 4308 PWs) bands (ev): -11.1348 -11.1035 -11.0626 -11.0618 -11.0384 -11.0352 -11.0270 -11.0263 -10.6958 -10.6590 -10.6209 -10.6090 -10.5989 -10.5913 -10.5865 -10.5864 -10.5623 -10.5615 -10.5614 -10.5595 -6.9303 -6.9269 -5.1061 -5.1056 -2.4579 -2.4025 -1.8028 -1.6646 0.7136 1.4287 1.9599 2.0588 2.3482 2.5240 2.7485 2.8776 6.0337 6.0958 6.6774 6.7407 7.0278 7.0349 8.3686 8.4610 k = 0.3286 0.5000 0.3536 ( 4320 PWs) bands (ev): -11.1342 -11.1047 -11.0617 -11.0613 -11.0386 -11.0354 -11.0269 -11.0262 -10.6950 -10.6602 -10.6199 -10.6090 -10.5983 -10.5910 -10.5868 -10.5865 -10.5623 -10.5615 -10.5614 -10.5596 -6.9063 -6.9031 -5.0930 -5.0925 -2.4609 -2.4011 -1.8497 -1.7319 0.7387 1.4392 1.9119 2.0179 2.2868 2.4672 2.6791 2.8100 6.1132 6.1757 6.7526 6.7993 7.0469 7.0509 8.2932 8.3818 k = 0.3429 0.5000 0.3536 ( 4320 PWs) bands (ev): -11.1336 -11.1060 -11.0609 -11.0608 -11.0387 -11.0357 -11.0268 -11.0262 -10.6940 -10.6615 -10.6189 -10.6091 -10.5978 -10.5906 -10.5870 -10.5866 -10.5623 -10.5615 -10.5614 -10.5597 -6.8828 -6.8799 -5.0803 -5.0798 -2.4655 -2.4016 -1.8932 -1.7957 0.7692 1.4546 1.8682 1.9826 2.2269 2.4113 2.6104 2.7412 6.1920 6.2552 6.8217 6.8536 7.0680 7.0694 8.2138 8.2986 k = 0.3571 0.5000 0.3536 ( 4320 PWs) bands (ev): -11.1328 -11.1073 -11.0605 -11.0600 -11.0388 -11.0359 -11.0268 -11.0261 -10.6929 -10.6628 -10.6179 -10.6091 -10.5972 -10.5902 -10.5873 -10.5866 -10.5623 -10.5615 -10.5615 -10.5598 -6.8603 -6.8576 -5.0682 -5.0677 -2.4717 -2.4044 -1.9328 -1.8549 0.8045 1.4742 1.8288 1.9532 2.1693 2.3568 2.5428 2.6715 6.2704 6.3344 6.8851 6.9036 7.0901 7.0905 8.1316 8.2127 k = 0.3714 0.5000 0.3536 ( 4324 PWs) bands (ev): -11.1320 -11.1087 -11.0601 -11.0594 -11.0389 -11.0361 -11.0267 -11.0261 -10.6917 -10.6642 -10.6170 -10.6092 -10.5966 -10.5899 -10.5876 -10.5867 -10.5623 -10.5615 -10.5615 -10.5599 -6.8389 -6.8365 -5.0569 -5.0564 -2.4793 -2.4097 -1.9682 -1.9084 0.8441 1.4967 1.7937 1.9295 2.1151 2.3040 2.4768 2.6014 6.3482 6.4132 6.9433 6.9493 7.1128 7.1136 8.0475 8.1249 k = 0.3857 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1311 -11.1101 -11.0597 -11.0588 -11.0389 -11.0363 -11.0266 -11.0260 -10.6904 -10.6657 -10.6162 -10.6094 -10.5960 -10.5897 -10.5879 -10.5868 -10.5623 -10.5616 -10.5614 -10.5600 -6.8189 -6.8168 -5.0463 -5.0459 -2.4880 -2.4177 -1.9990 -1.9554 0.8873 1.5197 1.7637 1.9117 2.0655 2.2534 2.4127 2.5310 6.4255 6.4914 6.9902 6.9966 7.1364 7.1373 7.9624 8.0360 k = 0.4000 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1301 -11.1115 -11.0593 -11.0583 -11.0389 -11.0365 -11.0265 -11.0260 -10.6890 -10.6672 -10.6154 -10.6095 -10.5954 -10.5895 -10.5881 -10.5868 -10.5623 -10.5616 -10.5614 -10.5601 -6.8005 -6.7987 -5.0368 -5.0364 -2.4972 -2.4284 -2.0253 -1.9954 0.9338 1.5387 1.7416 1.8996 2.0219 2.2054 2.3512 2.4609 6.5018 6.5687 7.0261 7.0454 7.1583 7.1634 7.8771 7.9470 k = 0.4143 0.5000 0.3536 ( 4320 PWs) bands (ev): -11.1290 -11.1129 -11.0589 -11.0579 -11.0388 -11.0368 -11.0264 -11.0260 -10.6876 -10.6687 -10.6146 -10.6097 -10.5948 -10.5894 -10.5882 -10.5869 -10.5622 -10.5616 -10.5613 -10.5602 -6.7840 -6.7824 -5.0282 -5.0279 -2.5063 -2.4415 -2.0473 -2.0282 0.9829 1.5458 1.7337 1.8929 1.9858 2.1606 2.2927 2.3913 6.5769 6.6444 7.0567 7.0900 7.1784 7.1909 7.7925 7.8585 k = 0.4286 0.5000 0.3536 ( 4320 PWs) bands (ev): -11.1279 -11.1143 -11.0586 -11.0576 -11.0387 -11.0370 -11.0264 -11.0260 -10.6861 -10.6702 -10.6140 -10.6099 -10.5942 -10.5895 -10.5882 -10.5870 -10.5622 -10.5617 -10.5613 -10.5603 -6.7695 -6.7683 -5.0208 -5.0206 -2.5145 -2.4563 -2.0651 -2.0540 1.0344 1.5338 1.7454 1.8915 1.9584 2.1195 2.2379 2.3227 6.6499 6.7174 7.0820 7.1302 7.1962 7.2196 7.7095 7.7714 k = 0.4429 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1267 -11.1158 -11.0583 -11.0575 -11.0386 -11.0372 -11.0263 -11.0260 -10.6846 -10.6718 -10.6134 -10.6102 -10.5937 -10.5898 -10.5881 -10.5871 -10.5622 -10.5617 -10.5612 -10.5604 -6.7575 -6.7565 -5.0147 -5.0144 -2.5212 -2.4718 -2.0792 -2.0735 1.0877 1.5043 1.7742 1.8945 1.9402 2.0829 2.1873 2.2556 6.7197 6.7856 7.1026 7.1648 7.2128 7.2492 7.6291 7.6867 k = 0.4571 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1255 -11.1172 -11.0580 -11.0573 -11.0385 -11.0374 -11.0263 -11.0260 -10.6830 -10.6734 -10.6128 -10.6104 -10.5931 -10.5902 -10.5879 -10.5871 -10.5621 -10.5618 -10.5612 -10.5606 -6.7478 -6.7471 -5.0098 -5.0096 -2.5255 -2.4869 -2.0899 -2.0874 1.1424 1.4634 1.8128 1.9009 1.9314 2.0519 2.1419 2.1909 6.7842 6.8451 7.1199 7.1882 7.2339 7.2799 7.5527 7.6059 k = 0.4714 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1242 -11.1187 -11.0578 -11.0573 -11.0383 -11.0376 -11.0262 -11.0260 -10.6814 -10.6750 -10.6123 -10.6107 -10.5926 -10.5906 -10.5878 -10.5872 -10.5621 -10.5618 -10.5611 -10.5607 -6.7408 -6.7403 -5.0062 -5.0061 -2.5270 -2.5006 -2.0974 -2.0966 1.1980 1.4156 1.8545 1.9079 1.9332 2.0279 2.1029 2.1303 6.8406 6.8900 7.1366 7.1948 7.2655 7.3125 7.4823 7.5309 k = 0.4857 0.5000 0.3536 ( 4328 PWs) bands (ev): -11.1228 -11.1201 -11.0576 -11.0573 -11.0382 -11.0378 -11.0262 -11.0261 -10.6798 -10.6766 -10.6118 -10.6111 -10.5920 -10.5911 -10.5876 -10.5874 -10.5620 -10.5619 -10.5610 -10.5608 -6.7365 -6.7362 -5.0041 -5.0040 -2.5253 -2.5119 -2.1019 -2.1018 1.2539 1.3637 1.8889 1.9113 1.9503 2.0098 2.0731 2.0801 6.8846 6.9132 7.1549 7.1887 7.3048 7.3465 7.4226 7.4645 k = 0.5000 0.5000 0.3536 ( 4296 PWs) bands (ev): -11.1214 -11.1214 -11.0574 -11.0574 -11.0379 -11.0379 -11.0261 -11.0261 -10.6782 -10.6782 -10.6114 -10.6114 -10.5915 -10.5915 -10.5875 -10.5875 -10.5619 -10.5619 -10.5608 -10.5608 -6.7349 -6.7349 -5.0033 -5.0033 -2.5203 -2.5203 -2.1034 -2.1034 1.3094 1.3094 1.9064 1.9064 1.9834 1.9834 2.0598 2.0598 6.9106 6.9106 7.1739 7.1739 7.3466 7.3466 7.4132 7.4132 k = 0.5000 0.5000 0.3536 ( 4296 PWs) bands (ev): -11.1214 -11.1214 -11.0574 -11.0574 -11.0379 -11.0379 -11.0261 -11.0261 -10.6782 -10.6782 -10.6114 -10.6114 -10.5915 -10.5915 -10.5875 -10.5875 -10.5619 -10.5619 -10.5608 -10.5608 -6.7349 -6.7349 -5.0033 -5.0033 -2.5203 -2.5203 -2.1034 -2.1034 1.3094 1.3094 1.9064 1.9064 1.9834 1.9834 2.0598 2.0598 6.9106 6.9106 7.1739 7.1739 7.3466 7.3466 7.4132 7.4132 k = 0.4900 0.4900 0.3536 ( 4328 PWs) bands (ev): -11.1228 -11.1201 -11.0576 -11.0573 -11.0382 -11.0378 -11.0262 -11.0261 -10.6798 -10.6766 -10.6118 -10.6111 -10.5920 -10.5911 -10.5876 -10.5874 -10.5620 -10.5619 -10.5610 -10.5608 -6.7365 -6.7362 -5.0041 -5.0040 -2.5253 -2.5120 -2.1019 -2.1018 1.2545 1.3631 1.8892 1.9112 1.9509 2.0089 2.0730 2.0800 6.8853 6.9130 7.1549 7.1863 7.3073 7.3496 7.4214 7.4622 k = 0.4800 0.4800 0.3536 ( 4328 PWs) bands (ev): -11.1242 -11.1187 -11.0578 -11.0573 -11.0383 -11.0376 -11.0262 -11.0260 -10.6814 -10.6750 -10.6123 -10.6107 -10.5926 -10.5906 -10.5878 -10.5872 -10.5620 -10.5618 -10.5611 -10.5607 -6.7407 -6.7402 -5.0062 -5.0061 -2.5272 -2.5004 -2.0974 -2.0971 1.1995 1.4139 1.8557 1.9074 1.9348 2.0246 2.1017 2.1315 6.8445 6.8905 7.1274 7.1718 7.2851 7.3421 7.4737 7.5189 k = 0.4700 0.4700 0.3536 ( 4328 PWs) bands (ev): -11.1254 -11.1173 -11.0580 -11.0573 -11.0385 -11.0374 -11.0263 -11.0260 -10.6830 -10.6734 -10.6128 -10.6105 -10.5931 -10.5902 -10.5880 -10.5871 -10.5621 -10.5618 -10.5612 -10.5606 -6.7476 -6.7469 -5.0097 -5.0095 -2.5259 -2.4855 -2.0899 -2.0893 1.1453 1.4597 1.8157 1.8986 1.9343 2.0455 2.1393 2.1947 6.7940 6.8487 7.0818 7.1248 7.2917 7.3644 7.5298 7.5761 k = 0.4600 0.4600 0.3536 ( 4328 PWs) bands (ev): -11.1267 -11.1158 -11.0583 -11.0574 -11.0386 -11.0372 -11.0263 -11.0260 -10.6846 -10.6718 -10.6133 -10.6102 -10.5936 -10.5898 -10.5882 -10.5870 -10.5621 -10.5618 -10.5612 -10.5604 -6.7572 -6.7563 -5.0145 -5.0143 -2.5215 -2.4674 -2.0795 -2.0782 1.0925 1.4973 1.7786 1.8885 1.9448 2.0733 2.1836 2.2633 6.7373 6.7951 7.0229 7.0617 7.3174 7.4013 7.5854 7.6320 k = 0.4500 0.4500 0.3536 ( 4326 PWs) bands (ev): -11.1279 -11.1144 -11.0587 -11.0575 -11.0388 -11.0370 -11.0264 -11.0260 -10.6861 -10.6702 -10.6139 -10.6100 -10.5942 -10.5895 -10.5884 -10.5869 -10.5622 -10.5618 -10.5612 -10.5603 -6.7694 -6.7682 -5.0207 -5.0205 -2.5141 -2.4460 -2.0662 -2.0640 1.0416 1.5230 1.7494 1.8795 1.9659 2.1068 2.2339 2.3355 6.6761 6.7346 6.9576 6.9920 7.3517 7.4428 7.6397 7.6861 k = 0.4400 0.4400 0.3536 ( 4322 PWs) bands (ev): -11.1291 -11.1129 -11.0591 -11.0576 -11.0389 -11.0367 -11.0264 -11.0260 -10.6876 -10.6687 -10.6145 -10.6098 -10.5947 -10.5892 -10.5886 -10.5867 -10.5622 -10.5618 -10.5612 -10.5602 -6.7840 -6.7826 -5.0281 -5.0280 -2.5038 -2.4214 -2.0501 -2.0466 0.9928 1.5335 1.7319 1.8728 1.9972 2.1450 2.2897 2.4106 6.6116 6.6700 6.8890 6.9194 7.3896 7.4853 7.6923 7.7382 k = 0.4300 0.4300 0.3536 ( 4326 PWs) bands (ev): -11.1302 -11.1114 -11.0595 -11.0578 -11.0390 -11.0365 -11.0265 -11.0260 -10.6891 -10.6671 -10.6151 -10.6098 -10.5953 -10.5890 -10.5889 -10.5866 -10.5623 -10.5618 -10.5612 -10.5601 -6.8010 -6.7993 -5.0368 -5.0368 -2.4907 -2.3936 -2.0313 -2.0260 0.9466 1.5287 1.7270 1.8688 2.0380 2.1871 2.3507 2.4881 6.5445 6.6029 6.8188 6.8453 7.4289 7.5273 7.7430 7.7882 k = 0.4200 0.4200 0.3536 ( 4328 PWs) bands (ev): -11.1313 -11.1100 -11.0600 -11.0581 -11.0391 -11.0363 -11.0265 -11.0261 -10.6906 -10.6656 -10.6158 -10.6097 -10.5959 -10.5892 -10.5888 -10.5864 -10.5623 -10.5619 -10.5612 -10.5600 -6.8202 -6.8183 -5.0468 -5.0467 -2.4748 -2.3628 -2.0098 -2.0022 0.9032 1.5134 1.7315 1.8678 2.0864 2.2327 2.4168 2.5675 6.4754 6.5347 6.7478 6.7708 7.4683 7.5681 7.7918 7.8364 k = 0.4100 0.4100 0.3536 ( 4328 PWs) bands (ev): -11.1323 -11.1085 -11.0606 -11.0584 -11.0392 -11.0361 -11.0266 -11.0261 -10.6921 -10.6641 -10.6164 -10.6097 -10.5964 -10.5895 -10.5886 -10.5862 -10.5623 -10.5619 -10.5611 -10.5599 -6.8416 -6.8394 -5.0580 -5.0577 -2.4563 -2.3289 -1.9857 -1.9752 0.8626 1.4932 1.7416 1.8699 2.1405 2.2815 2.4875 2.6486 6.4048 6.4662 6.6766 6.6966 7.5074 7.6074 7.8389 7.8828 k = 0.4000 0.4000 0.3536 ( 4316 PWs) bands (ev): -11.1333 -11.1070 -11.0612 -11.0587 -11.0393 -11.0359 -11.0266 -11.0261 -10.6935 -10.6625 -10.6172 -10.6098 -10.5970 -10.5898 -10.5885 -10.5860 -10.5624 -10.5619 -10.5610 -10.5597 -6.8648 -6.8624 -5.0703 -5.0699 -2.4354 -2.2920 -1.9590 -1.9451 0.8250 1.4719 1.7551 1.8750 2.1988 2.3329 2.5625 2.7308 6.3332 6.3982 6.6058 6.6231 7.5458 7.6450 7.8843 7.9277 k = 0.3900 0.3900 0.3536 ( 4312 PWs) bands (ev): -11.1342 -11.1056 -11.0618 -11.0590 -11.0393 -11.0357 -11.0267 -11.0262 -10.6948 -10.6611 -10.6179 -10.6099 -10.5975 -10.5901 -10.5884 -10.5858 -10.5624 -10.5620 -10.5609 -10.5596 -6.8899 -6.8873 -5.0838 -5.0830 -2.4120 -2.2523 -1.9300 -1.9119 0.7906 1.4516 1.7710 1.8832 2.2598 2.3868 2.6413 2.8139 6.2609 6.3315 6.5356 6.5510 7.5833 7.6808 7.9282 7.9713 k = 0.3800 0.3800 0.3536 ( 4316 PWs) bands (ev): -11.1350 -11.1042 -11.0624 -11.0594 -11.0394 -11.0355 -11.0267 -11.0262 -10.6961 -10.6597 -10.6187 -10.6100 -10.5981 -10.5905 -10.5883 -10.5855 -10.5624 -10.5620 -10.5609 -10.5595 -6.9166 -6.9137 -5.0982 -5.0972 -2.3863 -2.2098 -1.8985 -1.8756 0.7595 1.4333 1.7892 1.8944 2.3225 2.4427 2.7234 2.8974 6.1884 6.2667 6.4666 6.4807 7.6197 7.7146 7.9707 8.0138 k = 0.3700 0.3700 0.3536 ( 4312 PWs) bands (ev): -11.1358 -11.1028 -11.0631 -11.0598 -11.0394 -11.0353 -11.0268 -11.0263 -10.6974 -10.6583 -10.6195 -10.6103 -10.5986 -10.5908 -10.5883 -10.5853 -10.5625 -10.5620 -10.5608 -10.5594 -6.9447 -6.9416 -5.1136 -5.1123 -2.3584 -2.1647 -1.8647 -1.8363 0.7316 1.4178 1.8095 1.9085 2.3863 2.5003 2.8083 2.9808 6.1162 6.2045 6.3989 6.4124 7.6550 7.7463 8.0119 8.0553 k = 0.3600 0.3600 0.3536 ( 4312 PWs) bands (ev): -11.1366 -11.1014 -11.0638 -11.0603 -11.0395 -11.0352 -11.0268 -11.0264 -10.6985 -10.6570 -10.6203 -10.6105 -10.5992 -10.5912 -10.5882 -10.5851 -10.5625 -10.5620 -10.5607 -10.5594 -6.9742 -6.9708 -5.1298 -5.1282 -2.3285 -2.1171 -1.8287 -1.7941 0.7071 1.4054 1.8319 1.9254 2.4504 2.5591 2.8953 3.0636 6.0449 6.1455 6.3330 6.3467 7.6891 7.7759 8.0520 8.0960 k = 0.3500 0.3500 0.3536 ( 4304 PWs) bands (ev): -11.1372 -11.1001 -11.0645 -11.0607 -11.0396 -11.0350 -11.0268 -11.0264 -10.6997 -10.6557 -10.6211 -10.6108 -10.5997 -10.5915 -10.5882 -10.5849 -10.5625 -10.5620 -10.5606 -10.5592 -7.0047 -7.0011 -5.1468 -5.1449 -2.2966 -2.0670 -1.7904 -1.7490 0.6859 1.3962 1.8566 1.9450 2.5144 2.6188 2.9837 3.1452 5.9749 6.0905 6.2693 6.2839 7.7218 7.8031 8.0909 8.1360 k = 0.3400 0.3400 0.3536 ( 4306 PWs) bands (ev): -11.1379 -11.0988 -11.0653 -11.0612 -11.0396 -11.0349 -11.0268 -11.0265 -10.7007 -10.6545 -10.6220 -10.6112 -10.6003 -10.5918 -10.5882 -10.5846 -10.5625 -10.5620 -10.5605 -10.5592 -7.0362 -7.0324 -5.1645 -5.1622 -2.2628 -2.0147 -1.7500 -1.7010 0.6682 1.3904 1.8834 1.9673 2.5778 2.6787 3.0729 3.2251 5.9067 6.0402 6.2081 6.2242 7.7530 7.8277 8.1288 8.1754 k = 0.3300 0.3300 0.3536 ( 4298 PWs) bands (ev): -11.1384 -11.0976 -11.0660 -11.0618 -11.0397 -11.0348 -11.0268 -11.0265 -10.7017 -10.6534 -10.6228 -10.6116 -10.6008 -10.5922 -10.5882 -10.5844 -10.5626 -10.5620 -10.5604 -10.5591 -7.0685 -7.0645 -5.1829 -5.1802 -2.2273 -1.9604 -1.7075 -1.6503 0.6538 1.3880 1.9123 1.9921 2.6400 2.7385 3.1621 3.3024 5.8411 5.9952 6.1498 6.1681 7.7825 7.8496 8.1657 8.2143 k = 0.3200 0.3200 0.3536 ( 4302 PWs) bands (ev): -11.1388 -11.0964 -11.0668 -11.0623 -11.0397 -11.0347 -11.0268 -11.0266 -10.7026 -10.6523 -10.6237 -10.6121 -10.6013 -10.5925 -10.5883 -10.5842 -10.5626 -10.5620 -10.5603 -10.5590 -7.1014 -7.0972 -5.2018 -5.1988 -2.1900 -1.9042 -1.6629 -1.5969 0.6428 1.3891 1.9433 2.0192 2.7005 2.7975 3.2505 3.3765 5.7787 5.9561 6.0949 6.1159 7.8103 7.8683 8.2015 8.2525 k = 0.3100 0.3100 0.3536 ( 4298 PWs) bands (ev): -11.1392 -11.0953 -11.0676 -11.0629 -11.0398 -11.0346 -11.0268 -11.0267 -10.7034 -10.6513 -10.6246 -10.6126 -10.6018 -10.5927 -10.5883 -10.5841 -10.5626 -10.5620 -10.5602 -10.5589 -7.1347 -7.1304 -5.2211 -5.2178 -2.1512 -1.8463 -1.6161 -1.5409 0.6353 1.3936 1.9763 2.0485 2.7588 2.8553 3.3372 3.4466 5.7201 5.9236 6.0440 6.0678 7.8360 7.8834 8.2361 8.2899 k = 0.3000 0.3000 0.3536 ( 4298 PWs) bands (ev): -11.1396 -11.0943 -11.0683 -11.0634 -11.0398 -11.0345 -11.0268 -11.0268 -10.7041 -10.6504 -10.6255 -10.6132 -10.6023 -10.5930 -10.5883 -10.5839 -10.5626 -10.5620 -10.5601 -10.5589 -7.1684 -7.1639 -5.2409 -5.2371 -2.1109 -1.7871 -1.5671 -1.4824 0.6310 1.4015 2.0111 2.0800 2.8142 2.9111 3.4212 3.5119 5.6663 5.8978 5.9980 6.0242 7.8595 7.8943 8.2695 8.3262 k = 0.2900 0.2900 0.3536 ( 4286 PWs) bands (ev): -11.1398 -11.0933 -11.0691 -11.0640 -11.0399 -11.0345 -11.0268 -11.0267 -10.7047 -10.6496 -10.6263 -10.6138 -10.6028 -10.5932 -10.5883 -10.5837 -10.5626 -10.5619 -10.5600 -10.5588 -7.2022 -7.1975 -5.2609 -5.2568 -2.0692 -1.7269 -1.5158 -1.4215 0.6301 1.4127 2.0476 2.1133 2.8663 2.9646 3.5014 3.5715 5.6179 5.8777 5.9588 5.9853 7.8806 7.8998 8.3011 8.3605 k = 0.2800 0.2800 0.3536 ( 4284 PWs) bands (ev): -11.1399 -11.0925 -11.0699 -11.0646 -11.0400 -11.0345 -11.0269 -11.0267 -10.7052 -10.6489 -10.6272 -10.6145 -10.6032 -10.5934 -10.5884 -10.5836 -10.5626 -10.5619 -10.5599 -10.5587 -7.2360 -7.2312 -5.2811 -5.2767 -2.0262 -1.6662 -1.4620 -1.3582 0.6325 1.4271 2.0856 2.1483 2.9145 3.0150 3.5768 3.6249 5.5760 5.8600 5.9307 5.9514 7.8982 7.8988 8.3297 8.3906 k = 0.2700 0.2700 0.3536 ( 4286 PWs) bands (ev): -11.1401 -11.0918 -11.0706 -11.0652 -11.0400 -11.0345 -11.0269 -11.0266 -10.7056 -10.6483 -10.6281 -10.6153 -10.6035 -10.5935 -10.5884 -10.5835 -10.5626 -10.5618 -10.5598 -10.5587 -7.2698 -7.2648 -5.3014 -5.2968 -1.9821 -1.6053 -1.4054 -1.2926 0.6381 1.4446 2.1249 2.1848 2.9581 3.0619 3.6461 3.6714 5.5414 5.8393 5.9197 5.9226 7.8860 7.9138 8.3424 8.4107 k = 0.2600 0.2600 0.3536 ( 4282 PWs) bands (ev): -11.1401 -11.0912 -11.0713 -11.0658 -11.0401 -11.0345 -11.0270 -11.0266 -10.7059 -10.6478 -10.6290 -10.6161 -10.6038 -10.5936 -10.5885 -10.5834 -10.5626 -10.5618 -10.5597 -10.5587 -7.3033 -7.2982 -5.3218 -5.3169 -1.9368 -1.5449 -1.3458 -1.2249 0.6469 1.4652 2.1652 2.2224 2.9969 3.1049 3.7080 3.7107 5.5150 5.8150 5.8990 5.9267 7.8572 7.9248 8.2571 8.3975 k = 0.2500 0.2500 0.3536 ( 4270 PWs) bands (ev): -11.1400 -11.0907 -11.0720 -11.0664 -11.0401 -11.0345 -11.0270 -11.0265 -10.7060 -10.6474 -10.6299 -10.6171 -10.6040 -10.5937 -10.5885 -10.5833 -10.5626 -10.5617 -10.5596 -10.5586 -7.3364 -7.3312 -5.3421 -5.3370 -1.8906 -1.4854 -1.2830 -1.1551 0.6588 1.4886 2.2061 2.2609 3.0306 3.1435 3.7425 3.7615 5.4972 5.7909 5.8806 5.9479 7.8032 7.9305 8.1576 8.3190 k = 0.2400 0.2400 0.3536 ( 4278 PWs) bands (ev): -11.1399 -11.0903 -11.0726 -11.0670 -11.0402 -11.0345 -11.0270 -11.0264 -10.7061 -10.6471 -10.6308 -10.6181 -10.6041 -10.5938 -10.5885 -10.5833 -10.5626 -10.5617 -10.5596 -10.5586 -7.3690 -7.3638 -5.3622 -5.3570 -1.8436 -1.4273 -1.2168 -1.0833 0.6736 1.5146 2.2471 2.3000 3.0590 3.1777 3.7671 3.8057 5.4884 5.7691 5.8672 5.9808 7.7194 7.9282 8.0810 8.1792 k = 0.2300 0.2300 0.3536 ( 4270 PWs) bands (ev): -11.1396 -11.0901 -11.0732 -11.0676 -11.0402 -11.0346 -11.0270 -11.0263 -10.7060 -10.6470 -10.6316 -10.6192 -10.6041 -10.5938 -10.5886 -10.5833 -10.5625 -10.5616 -10.5595 -10.5586 -7.4011 -7.3957 -5.3822 -5.3768 -1.7958 -1.3709 -1.1472 -1.0096 0.6914 1.5431 2.2878 2.3390 3.0822 3.2073 3.7848 3.8401 5.4882 5.7502 5.8585 6.0239 7.6128 7.9120 8.0182 8.0204 k = 0.2200 0.2200 0.3536 ( 4276 PWs) bands (ev): -11.1394 -11.0901 -11.0737 -11.0683 -11.0403 -11.0347 -11.0270 -11.0263 -10.7059 -10.6469 -10.6325 -10.6204 -10.6040 -10.5938 -10.5887 -10.5833 -10.5625 -10.5615 -10.5594 -10.5586 -7.4324 -7.4271 -5.4019 -5.3964 -1.7473 -1.3164 -1.0742 -0.9341 0.7121 1.5737 2.3275 2.3776 3.1007 3.2326 3.7960 3.8645 5.4957 5.7343 5.8541 6.0759 7.4957 7.8404 7.8899 7.9513 k = 0.2100 0.2100 0.3536 ( 4270 PWs) bands (ev): -11.1390 -11.0902 -11.0742 -11.0689 -11.0403 -11.0347 -11.0270 -11.0262 -10.7055 -10.6470 -10.6333 -10.6217 -10.6038 -10.5938 -10.5887 -10.5833 -10.5625 -10.5615 -10.5593 -10.5585 -7.4630 -7.4576 -5.4212 -5.4156 -1.6984 -1.2640 -0.9980 -0.8570 0.7353 1.6061 2.3651 2.4150 3.1152 3.2540 3.8016 3.8793 5.5090 5.7211 5.8535 6.1356 7.3768 7.6784 7.8204 7.8679 k = 0.2000 0.2000 0.3536 ( 4286 PWs) bands (ev): -11.1385 -11.0905 -11.0746 -11.0695 -11.0404 -11.0349 -11.0270 -11.0261 -10.7051 -10.6472 -10.6342 -10.6230 -10.6035 -10.5938 -10.5888 -10.5834 -10.5624 -10.5614 -10.5593 -10.5586 -7.4927 -7.4874 -5.4401 -5.4345 -1.6491 -1.2137 -0.9191 -0.7783 0.7612 1.6400 2.3997 2.4505 3.1269 3.2722 3.8023 3.8855 5.5257 5.7101 5.8557 6.2015 7.2619 7.5116 7.7311 7.7680 k = 0.1900 0.1900 0.3536 ( 4282 PWs) bands (ev): -11.1380 -11.0910 -11.0750 -11.0701 -11.0404 -11.0350 -11.0270 -11.0260 -10.7045 -10.6475 -10.6350 -10.6244 -10.6031 -10.5937 -10.5889 -10.5835 -10.5624 -10.5614 -10.5592 -10.5586 -7.5214 -7.5161 -5.4586 -5.4529 -1.5996 -1.1657 -0.8374 -0.6982 0.7893 1.6749 2.4300 2.4833 3.1372 3.2881 3.7990 3.8841 5.5429 5.7005 5.8595 6.2720 7.1554 7.3467 7.6272 7.6587 k = 0.1800 0.1800 0.3536 ( 4282 PWs) bands (ev): -11.1374 -11.0915 -11.0753 -11.0707 -11.0404 -11.0351 -11.0269 -11.0259 -10.7039 -10.6479 -10.6357 -10.6258 -10.6027 -10.5937 -10.5890 -10.5836 -10.5623 -10.5613 -10.5592 -10.5586 -7.5491 -7.5439 -5.4764 -5.4708 -1.5500 -1.1200 -0.7535 -0.6168 0.8196 1.7101 2.4546 2.5122 3.1478 3.3027 3.7926 3.8765 5.5575 5.6918 5.8629 6.3449 7.0614 7.1858 7.5170 7.5459 k = 0.1700 0.1700 0.3536 ( 4282 PWs) bands (ev): -11.1367 -11.0923 -11.0756 -11.0712 -11.0404 -11.0352 -11.0268 -11.0259 -10.7031 -10.6484 -10.6365 -10.6272 -10.6022 -10.5936 -10.5890 -10.5837 -10.5622 -10.5612 -10.5592 -10.5586 -7.5756 -7.5705 -5.4936 -5.4881 -1.5005 -1.0767 -0.6675 -0.5343 0.8518 1.7448 2.4722 2.5364 3.1607 3.3174 3.7839 3.8640 5.5667 5.6833 5.8631 6.4165 6.9839 7.0322 7.4052 7.4331 k = 0.1600 0.1600 0.3536 ( 4282 PWs) bands (ev): -11.1359 -11.0931 -11.0758 -11.0718 -11.0403 -11.0353 -11.0268 -11.0258 -10.7021 -10.6490 -10.6372 -10.6287 -10.6016 -10.5935 -10.5891 -10.5838 -10.5621 -10.5612 -10.5591 -10.5586 -7.6010 -7.5960 -5.5102 -5.5048 -1.4513 -1.0359 -0.5797 -0.4509 0.8856 1.7783 2.4819 2.5548 3.1775 3.3333 3.7737 3.8481 5.5683 5.6744 5.8569 6.4776 6.8942 6.9268 7.2945 7.3225 k = 0.1500 0.1500 0.3536 ( 4278 PWs) bands (ev): -11.1351 -11.0940 -11.0760 -11.0724 -11.0403 -11.0355 -11.0267 -11.0257 -10.7010 -10.6498 -10.6379 -10.6301 -10.6010 -10.5934 -10.5892 -10.5840 -10.5620 -10.5611 -10.5591 -10.5587 -7.6251 -7.6202 -5.5260 -5.5208 -1.4024 -0.9979 -0.4904 -0.3668 0.9206 1.8092 2.4836 2.5667 3.1994 3.3515 3.7629 3.8299 5.5606 5.6649 5.8419 6.4998 6.7996 6.8928 7.1863 7.2153 k = 0.1400 0.1400 0.3536 ( 4286 PWs) bands (ev): -11.1342 -11.0951 -11.0763 -11.0729 -11.0402 -11.0356 -11.0266 -11.0257 -10.6999 -10.6506 -10.6385 -10.6315 -10.6003 -10.5933 -10.5894 -10.5843 -10.5619 -10.5610 -10.5591 -10.5587 -7.6479 -7.6432 -5.5410 -5.5360 -1.3541 -0.9628 -0.3997 -0.2821 0.9564 1.8359 2.4779 2.5715 3.2267 3.3728 3.7520 3.8107 5.5424 5.6543 5.8179 6.4390 6.7911 6.8815 7.0823 7.1131 k = 0.1300 0.1300 0.3536 ( 4286 PWs) bands (ev): -11.1332 -11.0962 -11.0764 -11.0734 -11.0401 -11.0358 -11.0265 -11.0256 -10.6986 -10.6516 -10.6391 -10.6329 -10.5996 -10.5932 -10.5895 -10.5845 -10.5617 -10.5609 -10.5591 -10.5588 -7.6693 -7.6648 -5.5552 -5.5504 -1.3065 -0.9308 -0.3080 -0.1972 0.9925 1.8566 2.4668 2.5693 3.2591 3.3976 3.7417 3.7916 5.5127 5.6426 5.7873 6.3225 6.8375 6.8866 6.9863 7.0204 k = 0.1200 0.1200 0.3536 ( 4284 PWs) bands (ev): -11.1321 -11.0974 -11.0766 -11.0739 -11.0400 -11.0359 -11.0264 -11.0255 -10.6972 -10.6526 -10.6397 -10.6342 -10.5989 -10.5931 -10.5896 -10.5848 -10.5616 -10.5609 -10.5591 -10.5588 -7.6893 -7.6851 -5.5685 -5.5639 -1.2599 -0.9020 -0.2156 -0.1124 1.0284 1.8691 2.4528 2.5606 3.2959 3.4256 3.7326 3.7736 5.4713 5.6298 5.7539 6.1907 6.8529 6.8734 6.9437 6.9684 k = 0.1100 0.1100 0.3536 ( 4290 PWs) bands (ev): -11.1310 -11.0987 -11.0768 -11.0743 -11.0399 -11.0361 -11.0263 -11.0255 -10.6957 -10.6539 -10.6402 -10.6355 -10.5982 -10.5929 -10.5897 -10.5851 -10.5615 -10.5608 -10.5591 -10.5589 -7.7079 -7.7039 -5.5808 -5.5765 -1.2144 -0.8766 -0.1229 -0.0279 1.0634 1.8709 2.4388 2.5464 3.3359 3.4563 3.7252 3.7575 5.4195 5.6161 5.7209 6.0570 6.7761 6.8022 6.9923 7.0022 k = 0.1000 0.1000 0.3536 ( 4284 PWs) bands (ev): -11.1298 -11.1001 -11.0769 -11.0748 -11.0398 -11.0363 -11.0262 -11.0254 -10.6941 -10.6552 -10.6407 -10.6366 -10.5974 -10.5928 -10.5898 -10.5855 -10.5613 -10.5607 -10.5591 -10.5589 -7.7249 -7.7212 -5.5922 -5.5883 -1.1702 -0.8547 -0.0301 0.0557 1.0968 1.8604 2.4272 2.5279 3.3778 3.4888 3.7198 3.7443 5.3603 5.6016 5.6901 5.9259 6.6909 6.7194 7.0415 7.0737 k = 0.0900 0.0900 0.3536 ( 4288 PWs) bands (ev): -11.1286 -11.1015 -11.0771 -11.0752 -11.0397 -11.0364 -11.0262 -11.0254 -10.6924 -10.6567 -10.6411 -10.6377 -10.5967 -10.5926 -10.5899 -10.5858 -10.5612 -10.5606 -10.5592 -10.5590 -7.7404 -7.7370 -5.6026 -5.5990 -1.1276 -0.8366 0.0621 0.1379 1.1280 1.8367 2.4194 2.5066 3.4202 3.5218 3.7170 3.7346 5.2972 5.5862 5.6619 5.7999 6.6096 6.6389 7.0987 7.1440 k = 0.0800 0.0800 0.3536 ( 4284 PWs) bands (ev): -11.1273 -11.1029 -11.0772 -11.0755 -11.0395 -11.0366 -11.0261 -11.0254 -10.6906 -10.6583 -10.6415 -10.6386 -10.5960 -10.5925 -10.5901 -10.5862 -10.5610 -10.5605 -10.5592 -10.5591 -7.7544 -7.7513 -5.6120 -5.6087 -1.0867 -0.8222 0.1531 0.2181 1.1561 1.8003 2.4153 2.4841 3.4619 3.5539 3.7170 3.7291 5.2339 5.5684 5.6362 5.6823 6.5338 6.5631 7.1588 7.2103 k = 0.0700 0.0700 0.3536 ( 4284 PWs) bands (ev): -11.1259 -11.1044 -11.0773 -11.0758 -11.0393 -11.0368 -11.0260 -11.0254 -10.6887 -10.6601 -10.6418 -10.6394 -10.5953 -10.5923 -10.5902 -10.5867 -10.5609 -10.5604 -10.5593 -10.5591 -7.7667 -7.7639 -5.6203 -5.6174 -1.0477 -0.8117 0.2419 0.2956 1.1808 1.7531 2.4139 2.4620 3.5015 3.5835 3.7204 3.7280 5.1737 5.5309 5.5918 5.6131 6.4647 6.4930 7.2184 7.2710 k = 0.0600 0.0600 0.3536 ( 4278 PWs) bands (ev): -11.1245 -11.1059 -11.0774 -11.0762 -11.0391 -11.0369 -11.0259 -11.0253 -10.6868 -10.6619 -10.6420 -10.6401 -10.5945 -10.5922 -10.5903 -10.5871 -10.5607 -10.5603 -10.5593 -10.5592 -7.7774 -7.7750 -5.6275 -5.6250 -1.0109 -0.8051 0.3275 0.3693 1.2018 1.6974 2.4137 2.4418 3.5378 3.6090 3.7273 3.7313 5.1193 5.4425 5.5610 5.5924 6.4030 6.4295 7.2750 7.3250 k = 0.0500 0.0500 0.3536 ( 4274 PWs) bands (ev): -11.1231 -11.1075 -11.0774 -11.0764 -11.0390 -11.0371 -11.0258 -11.0253 -10.6848 -10.6638 -10.6423 -10.6407 -10.5938 -10.5920 -10.5905 -10.5876 -10.5606 -10.5602 -10.5594 -10.5593 -7.7864 -7.7844 -5.6336 -5.6315 -0.9765 -0.8024 0.4081 0.4381 1.2196 1.6360 2.4133 2.4246 3.5699 3.6291 3.7376 3.7385 5.0731 5.3473 5.5472 5.5742 6.3495 6.3734 7.3268 7.3713 k = 0.0400 0.0400 0.3536 ( 4270 PWs) bands (ev): -11.1216 -11.1090 -11.0774 -11.0767 -11.0388 -11.0373 -11.0257 -11.0253 -10.6827 -10.6658 -10.6424 -10.6412 -10.5931 -10.5918 -10.5906 -10.5881 -10.5604 -10.5601 -10.5595 -10.5594 -7.7938 -7.7922 -5.6386 -5.6369 -0.9446 -0.8036 0.4813 0.5003 1.2354 1.5713 2.4114 2.4120 3.5972 3.6437 3.7484 3.7498 5.0374 5.2598 5.5375 5.5588 6.3050 6.3254 7.3721 7.4092 k = 0.0300 0.0300 0.3536 ( 4278 PWs) bands (ev): -11.1201 -11.1106 -11.0775 -11.0769 -11.0386 -11.0375 -11.0256 -11.0254 -10.6807 -10.6679 -10.6425 -10.6416 -10.5924 -10.5917 -10.5908 -10.5887 -10.5603 -10.5600 -10.5596 -10.5595 -7.7996 -7.7983 -5.6424 -5.6411 -0.9154 -0.8087 0.5440 0.5538 1.2517 1.5061 2.4024 2.4094 3.6193 3.6533 3.7593 3.7620 5.0140 5.1829 5.5306 5.5462 6.2703 6.2864 7.4095 7.4381 k = 0.0200 0.0200 0.3536 ( 4282 PWs) bands (ev): -11.1186 -11.1122 -11.0775 -11.0771 -11.0384 -11.0377 -11.0256 -11.0254 -10.6785 -10.6700 -10.6425 -10.6420 -10.5918 -10.5915 -10.5909 -10.5892 -10.5601 -10.5599 -10.5597 -10.5596 -7.8036 -7.8028 -5.6451 -5.6442 -0.8893 -0.8176 0.5925 0.5959 1.2718 1.4434 2.3977 2.4057 3.6363 3.6584 3.7693 3.7719 5.0045 5.1183 5.5263 5.5364 6.2459 6.2570 7.4383 7.4576 k = 0.0100 0.0100 0.3536 ( 4282 PWs) bands (ev): -11.1170 -11.1138 -11.0774 -11.0772 -11.0382 -11.0378 -11.0255 -11.0254 -10.6764 -10.6721 -10.6425 -10.6422 -10.5914 -10.5911 -10.5910 -10.5898 -10.5600 -10.5599 -10.5598 -10.5597 -7.8060 -7.8056 -5.6466 -5.6462 -0.8662 -0.8303 0.6230 0.6235 1.2997 1.3863 2.3966 2.4017 3.6485 3.6593 3.7765 3.7781 5.0100 5.0673 5.5246 5.5296 6.2322 6.2379 7.4577 7.4675 k = 0.0000 0.0000 0.3536 ( 4282 PWs) bands (ev): -11.1154 -11.1154 -11.0773 -11.0773 -11.0380 -11.0380 -11.0255 -11.0255 -10.6743 -10.6743 -10.6424 -10.6424 -10.5913 -10.5913 -10.5904 -10.5904 -10.5599 -10.5599 -10.5597 -10.5597 -7.8066 -7.8066 -5.6470 -5.6470 -0.8465 -0.8465 0.6333 0.6333 1.3378 1.3378 2.3983 2.3983 3.6561 3.6561 3.7797 3.7797 5.0310 5.0310 5.5257 5.5257 6.2296 6.2296 7.4675 7.4675 k = 0.0000 0.5000-0.0000 ( 4270 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6787 -10.6787 -10.6210 -10.6210 -10.6012 -10.6012 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2978 -7.2978 -5.3940 -5.3940 -2.1672 -2.1672 -0.6358 -0.6358 1.5590 1.5590 2.0462 2.0462 2.5788 2.5788 3.9193 3.9193 5.2214 5.2214 6.2794 6.2794 7.6406 7.6406 7.8566 7.8566 k = 0.0000 0.5000 0.0141 ( 4278 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6788 -10.6788 -10.6210 -10.6210 -10.6012 -10.6012 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2977 -7.2977 -5.3937 -5.3937 -2.1688 -2.1688 -0.6375 -0.6375 1.5621 1.5621 2.0493 2.0493 2.5805 2.5805 3.9196 3.9196 5.2195 5.2195 6.2696 6.2696 7.6457 7.6457 7.8542 7.8542 k = 0.0000 0.5000 0.0283 ( 4276 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6787 -10.6787 -10.6210 -10.6210 -10.6011 -10.6011 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2975 -7.2975 -5.3928 -5.3928 -2.1735 -2.1735 -0.6427 -0.6427 1.5715 1.5715 2.0585 2.0585 2.5857 2.5857 3.9206 3.9206 5.2138 5.2138 6.2409 6.2409 7.6605 7.6605 7.8472 7.8472 k = 0.0000 0.5000 0.0424 ( 4284 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0308 -11.0308 -11.0296 -11.0296 -10.6787 -10.6787 -10.6211 -10.6211 -10.6011 -10.6011 -10.5836 -10.5836 -10.5609 -10.5609 -10.5600 -10.5600 -7.2972 -7.2972 -5.3913 -5.3913 -2.1811 -2.1811 -0.6512 -0.6512 1.5870 1.5870 2.0737 2.0737 2.5945 2.5945 3.9221 3.9221 5.2043 5.2043 6.1949 6.1949 7.6835 7.6835 7.8358 7.8358 k = 0.0000 0.5000 0.0566 ( 4296 PWs) bands (ev): -11.1167 -11.1167 -11.0732 -11.0732 -11.0309 -11.0309 -11.0297 -11.0297 -10.6787 -10.6787 -10.6211 -10.6211 -10.6011 -10.6011 -10.5837 -10.5837 -10.5609 -10.5609 -10.5600 -10.5600 -7.2968 -7.2968 -5.3893 -5.3893 -2.1916 -2.1916 -0.6628 -0.6628 1.6081 1.6081 2.0945 2.0945 2.6071 2.6071 3.9243 3.9243 5.1909 5.1909 6.1337 6.1337 7.7122 7.7122 7.8213 7.8213 k = 0.0000 0.5000 0.0707 ( 4286 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0309 -11.0309 -11.0297 -11.0297 -10.6787 -10.6787 -10.6211 -10.6211 -10.6011 -10.6011 -10.5837 -10.5837 -10.5609 -10.5609 -10.5600 -10.5600 -7.2962 -7.2962 -5.3867 -5.3867 -2.2046 -2.2046 -0.6772 -0.6772 1.6344 1.6344 2.1206 2.1206 2.6238 2.6238 3.9270 3.9270 5.1735 5.1735 6.0599 6.0599 7.7415 7.7415 7.8074 7.8074 k = 0.0000 0.5000 0.0849 ( 4290 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0309 -11.0309 -11.0297 -11.0297 -10.6786 -10.6786 -10.6212 -10.6212 -10.6010 -10.6010 -10.5838 -10.5838 -10.5609 -10.5609 -10.5600 -10.5600 -7.2955 -7.2955 -5.3836 -5.3836 -2.2201 -2.2201 -0.6939 -0.6939 1.6653 1.6653 2.1516 2.1516 2.6450 2.6450 3.9302 3.9302 5.1519 5.1519 5.9758 5.9758 7.7523 7.7523 7.8117 7.8117 k = 0.0000 0.5000 0.0990 ( 4282 PWs) bands (ev): -11.1167 -11.1167 -11.0731 -11.0731 -11.0309 -11.0309 -11.0297 -11.0297 -10.6786 -10.6786 -10.6212 -10.6212 -10.6010 -10.6010 -10.5838 -10.5838 -10.5609 -10.5609 -10.5600 -10.5600 -7.2947 -7.2947 -5.3801 -5.3801 -2.2375 -2.2375 -0.7128 -0.7128 1.6999 1.6999 2.1871 2.1871 2.6711 2.6711 3.9340 3.9340 5.1259 5.1259 5.8834 5.8834 7.7351 7.7351 7.8427 7.8427 k = 0.0000 0.5000 0.1131 ( 4282 PWs) bands (ev): -11.1166 -11.1166 -11.0731 -11.0731 -11.0309 -11.0309 -11.0298 -11.0298 -10.6785 -10.6785 -10.6213 -10.6213 -10.6009 -10.6009 -10.5838 -10.5838 -10.5610 -10.5610 -10.5600 -10.5600 -7.2938 -7.2938 -5.3761 -5.3761 -2.2567 -2.2567 -0.7332 -0.7332 1.7373 1.7373 2.2269 2.2269 2.7024 2.7024 3.9381 3.9381 5.0954 5.0954 5.7845 5.7845 7.7085 7.7085 7.8779 7.8779 k = 0.0000 0.5000 0.1273 ( 4278 PWs) bands (ev): -11.1166 -11.1166 -11.0731 -11.0731 -11.0309 -11.0309 -11.0298 -11.0298 -10.6785 -10.6785 -10.6213 -10.6213 -10.6008 -10.6008 -10.5839 -10.5839 -10.5610 -10.5610 -10.5600 -10.5600 -7.2928 -7.2928 -5.3718 -5.3718 -2.2773 -2.2773 -0.7548 -0.7548 1.7765 1.7765 2.2707 2.2707 2.7393 2.7393 3.9427 3.9427 5.0602 5.0602 5.6806 5.6806 7.6785 7.6785 7.8976 7.8976 k = 0.0000 0.5000 0.1414 ( 4276 PWs) bands (ev): -11.1166 -11.1166 -11.0731 -11.0731 -11.0309 -11.0309 -11.0299 -11.0299 -10.6784 -10.6784 -10.6214 -10.6214 -10.6008 -10.6008 -10.5840 -10.5840 -10.5610 -10.5610 -10.5599 -10.5599 -7.2918 -7.2918 -5.3671 -5.3671 -2.2989 -2.2989 -0.7772 -0.7772 1.8164 1.8164 2.3186 2.3186 2.7819 2.7819 3.9475 3.9475 5.0201 5.0201 5.5729 5.5729 7.6468 7.6468 7.8826 7.8826 k = 0.0000 0.5000 0.1556 ( 4272 PWs) bands (ev): -11.1166 -11.1166 -11.0731 -11.0731 -11.0310 -11.0310 -11.0299 -11.0299 -10.6783 -10.6783 -10.6215 -10.6215 -10.6007 -10.6007 -10.5840 -10.5840 -10.5610 -10.5610 -10.5599 -10.5599 -7.2907 -7.2907 -5.3623 -5.3623 -2.3211 -2.3211 -0.8000 -0.8000 1.8556 1.8556 2.3708 2.3708 2.8303 2.8303 3.9527 3.9527 4.9751 4.9751 5.4627 5.4627 7.6143 7.6143 7.8525 7.8525 k = 0.0000 0.5000 0.1697 ( 4278 PWs) bands (ev): -11.1166 -11.1166 -11.0731 -11.0731 -11.0310 -11.0310 -11.0300 -11.0300 -10.6783 -10.6783 -10.6215 -10.6215 -10.6006 -10.6006 -10.5841 -10.5841 -10.5610 -10.5610 -10.5599 -10.5599 -7.2897 -7.2897 -5.3573 -5.3573 -2.3435 -2.3435 -0.8229 -0.8229 1.8933 1.8933 2.4277 2.4277 2.8842 2.8842 3.9579 3.9579 4.9248 4.9248 5.3510 5.3510 7.5817 7.5817 7.8208 7.8208 k = 0.0000 0.5000 0.1838 ( 4278 PWs) bands (ev): -11.1165 -11.1165 -11.0731 -11.0731 -11.0310 -11.0310 -11.0300 -11.0300 -10.6782 -10.6782 -10.6216 -10.6216 -10.6006 -10.6006 -10.5842 -10.5842 -10.5610 -10.5610 -10.5599 -10.5599 -7.2886 -7.2886 -5.3522 -5.3522 -2.3660 -2.3660 -0.8453 -0.8453 1.9283 1.9283 2.4894 2.4894 2.9434 2.9434 3.9633 3.9633 4.8691 4.8691 5.2388 5.2388 7.5494 7.5494 7.7909 7.7909 k = 0.0000 0.5000 0.1980 ( 4282 PWs) bands (ev): -11.1165 -11.1165 -11.0731 -11.0731 -11.0311 -11.0311 -11.0300 -11.0300 -10.6781 -10.6781 -10.6217 -10.6217 -10.6005 -10.6005 -10.5843 -10.5843 -10.5611 -10.5611 -10.5599 -10.5599 -7.2875 -7.2875 -5.3471 -5.3471 -2.3879 -2.3879 -0.8671 -0.8671 1.9602 1.9602 2.5562 2.5562 3.0074 3.0074 3.9687 3.9687 4.8079 4.8079 5.1272 5.1272 7.5179 7.5179 7.7638 7.7638 k = 0.0000 0.5000 0.2121 ( 4274 PWs) bands (ev): -11.1165 -11.1165 -11.0730 -11.0730 -11.0311 -11.0311 -11.0301 -11.0301 -10.6781 -10.6781 -10.6217 -10.6217 -10.6004 -10.6004 -10.5843 -10.5843 -10.5611 -10.5611 -10.5599 -10.5599 -7.2864 -7.2864 -5.3421 -5.3421 -2.4092 -2.4092 -0.8880 -0.8880 1.9884 1.9884 2.6280 2.6280 3.0754 3.0754 3.9739 3.9739 4.7407 4.7407 5.0173 5.0173 7.4878 7.4878 7.7399 7.7399 k = 0.0000 0.5000 0.2263 ( 4276 PWs) bands (ev): -11.1165 -11.1165 -11.0730 -11.0730 -11.0311 -11.0311 -11.0301 -11.0301 -10.6780 -10.6780 -10.6218 -10.6218 -10.6004 -10.6004 -10.5844 -10.5844 -10.5611 -10.5611 -10.5599 -10.5599 -7.2854 -7.2854 -5.3373 -5.3373 -2.4294 -2.4294 -0.9076 -0.9076 2.0130 2.0130 2.7045 2.7045 3.1467 3.1467 3.9791 3.9791 4.6672 4.6672 4.9106 4.9106 7.4593 7.4593 7.7193 7.7193 k = 0.0000 0.5000 0.2404 ( 4282 PWs) bands (ev): -11.1165 -11.1165 -11.0730 -11.0730 -11.0312 -11.0312 -11.0302 -11.0302 -10.6780 -10.6780 -10.6219 -10.6219 -10.6003 -10.6003 -10.5845 -10.5845 -10.5611 -10.5611 -10.5598 -10.5598 -7.2844 -7.2844 -5.3327 -5.3327 -2.4483 -2.4483 -0.9258 -0.9258 2.0341 2.0341 2.7851 2.7851 3.2205 3.2205 3.9840 3.9840 4.5872 4.5872 4.8083 4.8083 7.4329 7.4329 7.7019 7.7019 k = 0.0000 0.5000 0.2546 ( 4278 PWs) bands (ev): -11.1165 -11.1165 -11.0730 -11.0730 -11.0312 -11.0312 -11.0302 -11.0302 -10.6779 -10.6779 -10.6219 -10.6219 -10.6003 -10.6003 -10.5846 -10.5846 -10.5611 -10.5611 -10.5598 -10.5598 -7.2835 -7.2835 -5.3284 -5.3284 -2.4656 -2.4656 -0.9422 -0.9422 2.0518 2.0518 2.8691 2.8691 3.2958 3.2958 3.9886 3.9886 4.5011 4.5011 4.7115 4.7115 7.4088 7.4088 7.6875 7.6875 k = 0.0000 0.5000 0.2687 ( 4274 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0312 -11.0312 -11.0302 -11.0302 -10.6778 -10.6778 -10.6219 -10.6219 -10.6002 -10.6002 -10.5846 -10.5846 -10.5611 -10.5611 -10.5598 -10.5598 -7.2827 -7.2827 -5.3245 -5.3245 -2.4810 -2.4810 -0.9569 -0.9569 2.0665 2.0665 2.9554 2.9554 3.3714 3.3714 3.9929 3.9929 4.4104 4.4104 4.6206 4.6206 7.3874 7.3874 7.6758 7.6758 k = 0.0000 0.5000 0.2828 ( 4278 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0312 -11.0312 -11.0302 -11.0302 -10.6778 -10.6778 -10.6220 -10.6220 -10.6001 -10.6001 -10.5847 -10.5847 -10.5611 -10.5611 -10.5598 -10.5598 -7.2820 -7.2820 -5.3211 -5.3211 -2.4945 -2.4945 -0.9695 -0.9695 2.0784 2.0784 3.0425 3.0425 3.4457 3.4457 3.9967 3.9967 4.3178 4.3178 4.5357 4.5357 7.3689 7.3689 7.6666 7.6666 k = 0.0000 0.5000 0.2970 ( 4278 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6778 -10.6778 -10.6220 -10.6220 -10.6001 -10.6001 -10.5847 -10.5847 -10.5612 -10.5612 -10.5598 -10.5598 -7.2814 -7.2814 -5.3183 -5.3183 -2.5057 -2.5057 -0.9800 -0.9800 2.0877 2.0877 3.1284 3.1284 3.5163 3.5163 3.9999 3.9999 4.2271 4.2271 4.4569 4.4569 7.3534 7.3534 7.6596 7.6596 k = 0.0000 0.5000 0.3111 ( 4262 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0312 -11.0312 -11.0302 -11.0302 -10.6777 -10.6777 -10.6220 -10.6220 -10.6000 -10.6000 -10.5847 -10.5847 -10.5611 -10.5611 -10.5597 -10.5597 -7.2809 -7.2809 -5.3160 -5.3160 -2.5146 -2.5146 -0.9883 -0.9883 2.0948 2.0948 3.2098 3.2098 3.5799 3.5799 4.0023 4.0023 4.1436 4.1436 4.3859 4.3859 7.3413 7.3413 7.6544 7.6544 k = 0.0000 0.5000 0.3253 ( 4270 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6777 -10.6777 -10.6220 -10.6220 -10.6000 -10.6000 -10.5848 -10.5848 -10.5611 -10.5611 -10.5597 -10.5597 -7.2806 -7.2806 -5.3143 -5.3143 -2.5211 -2.5211 -0.9943 -0.9943 2.0998 2.0998 3.2808 3.2808 3.6312 3.6312 4.0025 4.0025 4.0759 4.0759 4.3262 4.3262 7.3325 7.3325 7.6509 7.6509 k = 0.0000 0.5000 0.3394 ( 4274 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6777 -10.6777 -10.6221 -10.6221 -10.6000 -10.6000 -10.5848 -10.5848 -10.5612 -10.5612 -10.5598 -10.5598 -7.2804 -7.2804 -5.3133 -5.3133 -2.5250 -2.5250 -0.9979 -0.9979 2.1027 2.1027 3.3321 3.3321 3.6640 3.6640 3.9954 3.9954 4.0377 4.0377 4.2844 4.2844 7.3271 7.3271 7.6489 7.6489 k = 0.0000 0.5000 0.3536 ( 4276 PWs) bands (ev): -11.1164 -11.1164 -11.0730 -11.0730 -11.0313 -11.0313 -11.0303 -11.0303 -10.6777 -10.6777 -10.6221 -10.6221 -10.6000 -10.6000 -10.5848 -10.5848 -10.5612 -10.5612 -10.5598 -10.5598 -7.2804 -7.2804 -5.3130 -5.3130 -2.5263 -2.5263 -0.9991 -0.9991 2.1037 2.1037 3.3514 3.3514 3.6749 3.6749 3.9878 3.9878 4.0297 4.0297 4.2690 4.2690 7.3254 7.3254 7.6482 7.6482 k = 0.5000 0.5000-0.0000 ( 4328 PWs) bands (ev): -11.1211 -11.1211 -11.0577 -11.0577 -11.0350 -11.0350 -11.0297 -11.0297 -10.6770 -10.6770 -10.6106 -10.6106 -10.5929 -10.5929 -10.5871 -10.5871 -10.5674 -10.5674 -10.5551 -10.5551 -6.7446 -6.7446 -5.0232 -5.0232 -2.5697 -2.5697 -2.1692 -2.1692 1.5935 1.5935 2.5426 2.5426 2.5517 2.5517 2.6734 2.6734 4.3597 4.3597 5.3826 5.3826 5.4823 5.4823 7.0653 7.0653 k = 0.5000 0.5000 0.0141 ( 4304 PWs) bands (ev): -11.1211 -11.1211 -11.0577 -11.0577 -11.0350 -11.0350 -11.0296 -11.0296 -10.6769 -10.6769 -10.6106 -10.6106 -10.5929 -10.5929 -10.5871 -10.5871 -10.5673 -10.5673 -10.5551 -10.5551 -6.7445 -6.7445 -5.0231 -5.0231 -2.5695 -2.5695 -2.1690 -2.1690 1.5923 1.5923 2.5368 2.5368 2.5516 2.5516 2.6687 2.6687 4.3682 4.3682 5.3868 5.3868 5.4897 5.4897 7.0701 7.0701 k = 0.5000 0.5000 0.0283 ( 4280 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0350 -11.0350 -11.0295 -11.0295 -10.6769 -10.6769 -10.6105 -10.6105 -10.5928 -10.5928 -10.5871 -10.5871 -10.5673 -10.5673 -10.5551 -10.5551 -6.7443 -6.7443 -5.0229 -5.0229 -2.5690 -2.5690 -2.1683 -2.1683 1.5888 1.5888 2.5231 2.5231 2.5478 2.5478 2.6550 2.6550 4.3935 4.3935 5.3996 5.3996 5.5115 5.5115 7.0844 7.0844 k = 0.5000 0.5000 0.0424 ( 4292 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0351 -11.0351 -11.0294 -11.0294 -10.6770 -10.6770 -10.6106 -10.6106 -10.5928 -10.5928 -10.5871 -10.5871 -10.5672 -10.5672 -10.5552 -10.5552 -6.7442 -6.7442 -5.0225 -5.0225 -2.5680 -2.5680 -2.1670 -2.1670 1.5830 1.5830 2.5038 2.5038 2.5382 2.5382 2.6335 2.6335 4.4347 4.4347 5.4215 5.4215 5.5465 5.5465 7.1081 7.1081 k = 0.5000 0.5000 0.0566 ( 4292 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0353 -11.0353 -11.0293 -11.0293 -10.6770 -10.6770 -10.6106 -10.6106 -10.5928 -10.5928 -10.5871 -10.5871 -10.5671 -10.5671 -10.5553 -10.5553 -6.7439 -6.7439 -5.0219 -5.0219 -2.5668 -2.5668 -2.1653 -2.1653 1.5751 1.5751 2.4799 2.4799 2.5226 2.5226 2.6056 2.6056 4.4903 4.4903 5.4528 5.4528 5.5936 5.5936 7.1412 7.1412 k = 0.5000 0.5000 0.0707 ( 4292 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0354 -11.0354 -11.0291 -11.0291 -10.6770 -10.6770 -10.6106 -10.6106 -10.5927 -10.5927 -10.5871 -10.5871 -10.5670 -10.5670 -10.5554 -10.5554 -6.7436 -6.7436 -5.0213 -5.0213 -2.5651 -2.5651 -2.1632 -2.1632 1.5651 1.5651 2.4519 2.4519 2.5011 2.5011 2.5732 2.5732 4.5590 4.5590 5.4936 5.4936 5.6514 5.6514 7.1834 7.1834 k = 0.5000 0.5000 0.0849 ( 4292 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0356 -11.0356 -11.0289 -11.0289 -10.6771 -10.6771 -10.6106 -10.6106 -10.5927 -10.5927 -10.5871 -10.5871 -10.5669 -10.5669 -10.5555 -10.5555 -6.7432 -6.7432 -5.0205 -5.0205 -2.5632 -2.5632 -2.1607 -2.1607 1.5533 1.5533 2.4206 2.4206 2.4737 2.4737 2.5383 2.5383 4.6391 4.6391 5.5435 5.5435 5.7190 5.7190 7.2346 7.2346 k = 0.5000 0.5000 0.0990 ( 4300 PWs) bands (ev): -11.1211 -11.1211 -11.0576 -11.0576 -11.0358 -11.0358 -11.0288 -11.0288 -10.6772 -10.6772 -10.6107 -10.6107 -10.5927 -10.5927 -10.5871 -10.5871 -10.5668 -10.5668 -10.5557 -10.5557 -6.7428 -6.7428 -5.0196 -5.0196 -2.5610 -2.5610 -2.1577 -2.1577 1.5399 1.5399 2.3866 2.3866 2.4410 2.4410 2.5026 2.5026 4.7293 4.7293 5.6019 5.6019 5.7952 5.7952 7.2946 7.2946 k = 0.5000 0.5000 0.1131 ( 4292 PWs) bands (ev): -11.1212 -11.1212 -11.0576 -11.0576 -11.0359 -11.0359 -11.0285 -11.0285 -10.6772 -10.6772 -10.6107 -10.6107 -10.5926 -10.5926 -10.5871 -10.5871 -10.5666 -10.5666 -10.5558 -10.5558 -6.7423 -6.7423 -5.0186 -5.0186 -2.5585 -2.5585 -2.1545 -2.1545 1.5251 1.5251 2.3505 2.3505 2.4040 2.4040 2.4669 2.4669 4.8284 4.8284 5.6683 5.6683 5.8791 5.8791 7.3630 7.3630 k = 0.5000 0.5000 0.1273 ( 4284 PWs) bands (ev): -11.1212 -11.1212 -11.0576 -11.0576 -11.0361 -11.0361 -11.0283 -11.0283 -10.6772 -10.6772 -10.6108 -10.6108 -10.5925 -10.5925 -10.5871 -10.5871 -10.5664 -10.5664 -10.5560 -10.5560 -6.7417 -6.7417 -5.0175 -5.0175 -2.5558 -2.5558 -2.1509 -2.1509 1.5092 1.5092 2.3129 2.3129 2.3646 2.3646 2.4313 2.4313 4.9351 4.9351 5.7417 5.7417 5.9699 5.9699 7.4396 7.4396 k = 0.5000 0.5000 0.1414 ( 4300 PWs) bands (ev): -11.1212 -11.1212 -11.0576 -11.0576 -11.0363 -11.0363 -11.0281 -11.0281 -10.6774 -10.6774 -10.6108 -10.6108 -10.5925 -10.5925 -10.5872 -10.5872 -10.5662 -10.5662 -10.5563 -10.5563 -6.7412 -6.7412 -5.0164 -5.0164 -2.5530 -2.5530 -2.1472 -2.1472 1.4924 1.4924 2.2743 2.2743 2.3242 2.3242 2.3958 2.3958 5.0487 5.0487 5.8213 5.8213 6.0665 6.0665 7.5241 7.5241 k = 0.5000 0.5000 0.1556 ( 4308 PWs) bands (ev): -11.1213 -11.1213 -11.0576 -11.0576 -11.0365 -11.0365 -11.0279 -11.0279 -10.6774 -10.6774 -10.6109 -10.6109 -10.5924 -10.5924 -10.5872 -10.5872 -10.5660 -10.5660 -10.5565 -10.5565 -6.7406 -6.7406 -5.0152 -5.0152 -2.5500 -2.5500 -2.1432 -2.1432 1.4750 1.4750 2.2353 2.2353 2.2843 2.2843 2.3605 2.3605 5.1684 5.1684 5.9061 5.9061 6.1682 6.1682 7.6161 7.6161 k = 0.5000 0.5000 0.1697 ( 4308 PWs) bands (ev): -11.1213 -11.1213 -11.0575 -11.0575 -11.0367 -11.0367 -11.0277 -11.0277 -10.6775 -10.6775 -10.6110 -10.6110 -10.5923 -10.5923 -10.5872 -10.5872 -10.5658 -10.5658 -10.5568 -10.5568 -6.7400 -6.7400 -5.0139 -5.0139 -2.5469 -2.5469 -2.1391 -2.1391 1.4572 1.4572 2.1965 2.1965 2.2457 2.2457 2.3257 2.3257 5.2936 5.2936 5.9952 5.9952 6.2741 6.2741 7.7154 7.7154 k = 0.5000 0.5000 0.1838 ( 4308 PWs) bands (ev): -11.1213 -11.1213 -11.0575 -11.0575 -11.0369 -11.0369 -11.0275 -11.0275 -10.6776 -10.6776 -10.6110 -10.6110 -10.5922 -10.5922 -10.5872 -10.5872 -10.5655 -10.5655 -10.5571 -10.5571 -6.7394 -6.7394 -5.0127 -5.0127 -2.5438 -2.5438 -2.1350 -2.1350 1.4394 1.4394 2.1584 2.1584 2.2090 2.2090 2.2916 2.2916 5.4237 5.4237 6.0877 6.0877 6.3834 6.3834 7.8215 7.8215 k = 0.5000 0.5000 0.1980 ( 4324 PWs) bands (ev): -11.1214 -11.1214 -11.0575 -11.0575 -11.0370 -11.0370 -11.0273 -11.0273 -10.6777 -10.6777 -10.6111 -10.6111 -10.5922 -10.5922 -10.5873 -10.5873 -10.5653 -10.5653 -10.5574 -10.5574 -6.7389 -6.7389 -5.0114 -5.0114 -2.5407 -2.5407 -2.1309 -2.1309 1.4219 1.4219 2.1216 2.1216 2.1745 2.1745 2.2587 2.2587 5.5582 5.5582 6.1823 6.1823 6.4949 6.4949 7.9341 7.9341 k = 0.5000 0.5000 0.2121 ( 4324 PWs) bands (ev): -11.1214 -11.1214 -11.0575 -11.0575 -11.0372 -11.0372 -11.0271 -11.0271 -10.6778 -10.6778 -10.6111 -10.6111 -10.5921 -10.5921 -10.5873 -10.5873 -10.5650 -10.5650 -10.5577 -10.5577 -6.7383 -6.7383 -5.0102 -5.0102 -2.5377 -2.5377 -2.1268 -2.1268 1.4049 1.4049 2.0868 2.0868 2.1425 2.1425 2.2273 2.2273 5.6968 5.6968 6.2780 6.2780 6.6078 6.6078 8.0528 8.0528 k = 0.5000 0.5000 0.2263 ( 4324 PWs) bands (ev): -11.1214 -11.1214 -11.0575 -11.0575 -11.0373 -11.0373 -11.0269 -11.0269 -10.6779 -10.6779 -10.6112 -10.6112 -10.5920 -10.5920 -10.5873 -10.5873 -10.5647 -10.5647 -10.5580 -10.5580 -6.7377 -6.7377 -5.0091 -5.0091 -2.5348 -2.5348 -2.1229 -2.1229 1.3886 1.3886 2.0542 2.0542 2.1131 2.1131 2.1978 2.1978 5.8391 5.8391 6.3736 6.3736 6.7208 6.7208 8.1770 8.1770 k = 0.5000 0.5000 0.2404 ( 4332 PWs) bands (ev): -11.1214 -11.1214 -11.0575 -11.0575 -11.0375 -11.0375 -11.0268 -11.0268 -10.6779 -10.6779 -10.6112 -10.6112 -10.5919 -10.5919 -10.5873 -10.5873 -10.5644 -10.5644 -10.5584 -10.5584 -6.7372 -6.7372 -5.0080 -5.0080 -2.5320 -2.5320 -2.1192 -2.1192 1.3733 1.3733 2.0243 2.0243 2.0864 2.0864 2.1705 2.1705 5.9847 5.9847 6.4675 6.4675 6.8326 6.8326 8.3054 8.3054 k = 0.5000 0.5000 0.2546 ( 4340 PWs) bands (ev): -11.1214 -11.1214 -11.0575 -11.0575 -11.0376 -11.0376 -11.0266 -11.0266 -10.6780 -10.6780 -10.6113 -10.6113 -10.5919 -10.5919 -10.5874 -10.5874 -10.5641 -10.5641 -10.5587 -10.5587 -6.7368 -6.7368 -5.0070 -5.0070 -2.5295 -2.5295 -2.1158 -2.1158 1.3592 1.3592 1.9974 1.9974 2.0626 2.0626 2.1457 2.1457 6.1333 6.1333 6.5584 6.5584 6.9414 6.9414 8.4128 8.4128 k = 0.5000 0.5000 0.2687 ( 4340 PWs) bands (ev): -11.1215 -11.1215 -11.0575 -11.0575 -11.0377 -11.0377 -11.0265 -11.0265 -10.6781 -10.6781 -10.6113 -10.6113 -10.5918 -10.5918 -10.5874 -10.5874 -10.5637 -10.5637 -10.5591 -10.5591 -6.7363 -6.7363 -5.0061 -5.0061 -2.5272 -2.5272 -2.1127 -2.1127 1.3466 1.3466 1.9737 1.9737 2.0418 2.0418 2.1236 2.1236 6.2844 6.2844 6.6443 6.6443 7.0454 7.0454 8.2753 8.2753 k = 0.5000 0.5000 0.2828 ( 4332 PWs) bands (ev): -11.1215 -11.1215 -11.0575 -11.0575 -11.0378 -11.0378 -11.0264 -11.0264 -10.6781 -10.6781 -10.6114 -10.6114 -10.5917 -10.5917 -10.5874 -10.5874 -10.5634 -10.5634 -10.5594 -10.5594 -6.7359 -6.7359 -5.0053 -5.0053 -2.5251 -2.5251 -2.1100 -2.1100 1.3356 1.3356 1.9534 1.9534 2.0241 2.0241 2.1045 2.1045 6.4375 6.4375 6.7236 6.7236 7.1420 7.1420 8.1086 8.1086 k = 0.5000 0.5000 0.2970 ( 4328 PWs) bands (ev): -11.1215 -11.1215 -11.0574 -11.0574 -11.0379 -11.0379 -11.0263 -11.0263 -10.6781 -10.6781 -10.6114 -10.6114 -10.5916 -10.5916 -10.5874 -10.5874 -10.5630 -10.5630 -10.5598 -10.5598 -6.7356 -6.7356 -5.0046 -5.0046 -2.5234 -2.5234 -2.1077 -2.1077 1.3263 1.3263 1.9366 1.9366 2.0095 2.0095 2.0887 2.0887 6.5912 6.5912 6.7948 6.7948 7.2283 7.2283 7.9411 7.9411 k = 0.5000 0.5000 0.3111 ( 4328 PWs) bands (ev): -11.1215 -11.1215 -11.0574 -11.0574 -11.0379 -11.0379 -11.0262 -11.0262 -10.6782 -10.6782 -10.6114 -10.6114 -10.5916 -10.5916 -10.5875 -10.5875 -10.5627 -10.5627 -10.5601 -10.5601 -6.7353 -6.7353 -5.0041 -5.0041 -2.5221 -2.5221 -2.1058 -2.1058 1.3190 1.3190 1.9234 1.9234 1.9981 1.9981 2.0761 2.0761 6.7405 6.7405 6.8599 6.8599 7.3008 7.3008 7.7745 7.7745 k = 0.5000 0.5000 0.3253 ( 4328 PWs) bands (ev): -11.1215 -11.1215 -11.0574 -11.0574 -11.0380 -11.0380 -11.0262 -11.0262 -10.6782 -10.6782 -10.6114 -10.6114 -10.5916 -10.5916 -10.5875 -10.5875 -10.5623 -10.5623 -10.5605 -10.5605 -6.7351 -6.7351 -5.0037 -5.0037 -2.5211 -2.5211 -2.1045 -2.1045 1.3137 1.3137 1.9140 1.9140 1.9899 1.9899 2.0671 2.0671 6.8545 6.8545 6.9460 6.9460 7.3558 7.3558 7.6110 7.6110 k = 0.5000 0.5000 0.3394 ( 4328 PWs) bands (ev): -11.1215 -11.1215 -11.0574 -11.0574 -11.0380 -11.0380 -11.0261 -11.0261 -10.6782 -10.6782 -10.6114 -10.6114 -10.5915 -10.5915 -10.5875 -10.5875 -10.5621 -10.5621 -10.5608 -10.5608 -6.7350 -6.7350 -5.0034 -5.0034 -2.5205 -2.5205 -2.1037 -2.1037 1.3105 1.3105 1.9083 1.9083 1.9850 1.9850 2.0616 2.0616 6.8988 6.8988 7.0800 7.0800 7.3861 7.3861 7.4598 7.4598 k = 0.5000 0.5000 0.3536 ( 4296 PWs) bands (ev): -11.1214 -11.1214 -11.0574 -11.0574 -11.0379 -11.0379 -11.0261 -11.0261 -10.6782 -10.6782 -10.6114 -10.6114 -10.5915 -10.5915 -10.5875 -10.5875 -10.5619 -10.5619 -10.5608 -10.5608 -6.7349 -6.7349 -5.0033 -5.0033 -2.5203 -2.5203 -2.1034 -2.1034 1.3094 1.3094 1.9064 1.9064 1.9834 1.9834 2.0598 2.0598 6.9106 6.9106 7.1739 7.1739 7.3466 7.3466 7.4132 7.4132 Writing output data file Ga2BiAs.save init_run : 4.07s CPU 13.92s WALL ( 1 calls) electrons : 352.38s CPU 357.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 352.28s CPU 357.06s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.94s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.06s CPU 0.60s WALL ( 1 calls) newd : 0.35s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 324 calls) cegterg : 321.05s CPU 323.35s WALL ( 516 calls) Called by sum_band: Called by *egterg: h_psi : 174.58s CPU 179.58s WALL ( 8102 calls) s_psi : 12.28s CPU 12.65s WALL ( 8102 calls) g_psi : 0.49s CPU 0.47s WALL ( 7262 calls) cdiaghg : 94.24s CPU 92.89s WALL ( 7586 calls) cegterg:over : 29.33s CPU 27.23s WALL ( 7262 calls) cegterg:upda : 5.72s CPU 7.86s WALL ( 7262 calls) cegterg:last : 5.79s CPU 6.41s WALL ( 1488 calls) Called by h_psi: h_psi:vloc : 147.60s CPU 151.58s WALL ( 8102 calls) h_psi:vnl : 26.81s CPU 27.51s WALL ( 8102 calls) add_vuspsi : 7.85s CPU 10.35s WALL ( 8102 calls) General routines calbec : 18.93s CPU 17.01s WALL ( 8102 calls) fft : 0.45s CPU 1.25s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 141.86s CPU 144.04s WALL ( 789716 calls) interpolate : 0.11s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 1.01s WALL ( 648 calls) Parallel routines fft_scatter : 94.26s CPU 96.17s WALL ( 789739 calls) PWSCF : 6m41.51s CPU 7m47.34s WALL This run was terminated on: 16:46:16 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=