Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:41:56 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Os.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 112 91 24 8378 6141 851 Max 113 92 25 8384 6182 857 Sum 8083 6591 1763 603427 443849 61437 bravais-lattice index = 14 lattice parameter (alat) = 21.7318 a.u. unit-cell volume = 8054.3018 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 128.00 number of Kohn-Sham states= 154 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 270.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 21.731849 celldm(2)= 0.797391 celldm(3)= 1.040870 celldm(4)= 0.325568 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.797391 0.000000 ) a(3) = ( 0.000000 0.338874 0.984162 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.254089 -0.431818 ) b(3) = ( 0.000000 0.000000 1.016093 ) PseudoPot. # 1 for Os read from file: /users/gautes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 Os 16.00 190.23000 Os( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.1694370 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4920808 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.1694370 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4920808 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 143 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0069930 k( 2) = ( 0.0000000 0.0000000 0.0362891), wk = 0.0069930 k( 3) = ( 0.0000000 0.0000000 0.0725781), wk = 0.0069930 k( 4) = ( 0.0000000 0.0000000 0.1088672), wk = 0.0069930 k( 5) = ( 0.0000000 0.0000000 0.1451562), wk = 0.0069930 k( 6) = ( 0.0000000 0.0000000 0.1814452), wk = 0.0069930 k( 7) = ( 0.0000000 0.0000000 0.2177343), wk = 0.0069930 k( 8) = ( 0.0000000 0.0000000 0.2540233), wk = 0.0069930 k( 9) = ( 0.0000000 0.0000000 0.2903124), wk = 0.0069930 k( 10) = ( 0.0000000 0.0000000 0.3266014), wk = 0.0069930 k( 11) = ( 0.0000000 0.0000000 0.3628905), wk = 0.0069930 k( 12) = ( 0.0000000 0.0000000 0.3991795), wk = 0.0069930 k( 13) = ( 0.0000000 0.0000000 0.4354686), wk = 0.0069930 k( 14) = ( 0.0000000 0.0000000 0.4717576), wk = 0.0069930 k( 15) = ( 0.0000000 0.0000000 0.5080467), wk = 0.0069930 k( 16) = ( 0.0000000 0.0000000 0.5080467), wk = 0.0069930 k( 17) = ( 0.0000000 0.0350969 0.5080467), wk = 0.0069930 k( 18) = ( 0.0000000 0.0701938 0.5080467), wk = 0.0069930 k( 19) = ( 0.0000000 0.1052907 0.5080467), wk = 0.0069930 k( 20) = ( 0.0000000 0.1403876 0.5080467), wk = 0.0069930 k( 21) = ( 0.0000000 0.1754845 0.5080467), wk = 0.0069930 k( 22) = ( 0.0000000 0.2105814 0.5080467), wk = 0.0069930 k( 23) = ( 0.0000000 0.2456783 0.5080467), wk = 0.0069930 k( 24) = ( 0.0000000 0.2807752 0.5080467), wk = 0.0069930 k( 25) = ( 0.0000000 0.3158721 0.5080467), wk = 0.0069930 k( 26) = ( 0.0000000 0.3509691 0.5080467), wk = 0.0069930 k( 27) = ( 0.0000000 0.3860659 0.5080467), wk = 0.0069930 k( 28) = ( 0.0000000 0.4211629 0.5080467), wk = 0.0069930 k( 29) = ( 0.0000000 0.4562598 0.5080467), wk = 0.0069930 k( 30) = ( 0.0000000 0.4913567 0.5080467), wk = 0.0069930 k( 31) = ( 0.0000000 0.5264536 0.5080467), wk = 0.0069930 k( 32) = ( 0.0000000 0.5264536 0.5080467), wk = 0.0069930 k( 33) = ( 0.0000000 0.5408237 0.4772026), wk = 0.0069930 k( 34) = ( 0.0000000 0.5551939 0.4463585), wk = 0.0069930 k( 35) = ( 0.0000000 0.5695641 0.4155143), wk = 0.0069930 k( 36) = ( 0.0000000 0.5839342 0.3846702), wk = 0.0069930 k( 37) = ( 0.0000000 0.5983044 0.3538261), wk = 0.0069930 k( 38) = ( 0.0000000 0.6126746 0.3229820), wk = 0.0069930 k( 39) = ( 0.0000000 0.6270447 0.2921379), wk = 0.0069930 k( 40) = ( 0.0000000 0.6270447 0.2921379), wk = 0.0069930 k( 41) = ( 0.0357143 0.6270447 0.2921379), wk = 0.0069930 k( 42) = ( 0.0714286 0.6270447 0.2921379), wk = 0.0069930 k( 43) = ( 0.1071429 0.6270447 0.2921379), wk = 0.0069930 k( 44) = ( 0.1428571 0.6270447 0.2921379), wk = 0.0069930 k( 45) = ( 0.1785714 0.6270447 0.2921379), wk = 0.0069930 k( 46) = ( 0.2142857 0.6270447 0.2921379), wk = 0.0069930 k( 47) = ( 0.2500000 0.6270447 0.2921379), wk = 0.0069930 k( 48) = ( 0.2857143 0.6270447 0.2921379), wk = 0.0069930 k( 49) = ( 0.3214286 0.6270447 0.2921379), wk = 0.0069930 k( 50) = ( 0.3571429 0.6270447 0.2921379), wk = 0.0069930 k( 51) = ( 0.3928571 0.6270447 0.2921379), wk = 0.0069930 k( 52) = ( 0.4285714 0.6270447 0.2921379), wk = 0.0069930 k( 53) = ( 0.4642857 0.6270447 0.2921379), wk = 0.0069930 k( 54) = ( 0.5000000 0.6270447 0.2921379), wk = 0.0069930 k( 55) = ( 0.5000000 0.6270447 0.2921379), wk = 0.0069930 k( 56) = ( 0.5000000 0.6414149 0.2612938), wk = 0.0069930 k( 57) = ( 0.5000000 0.6557850 0.2304497), wk = 0.0069930 k( 58) = ( 0.5000000 0.6701552 0.1996055), wk = 0.0069930 k( 59) = ( 0.5000000 0.6845254 0.1687614), wk = 0.0069930 k( 60) = ( 0.5000000 0.6988955 0.1379173), wk = 0.0069930 k( 61) = ( 0.5000000 0.7132657 0.1070732), wk = 0.0069930 k( 62) = ( 0.5000000 0.7276359 0.0762291), wk = 0.0069930 k( 63) = ( 0.5000000 0.7276359 0.0762291), wk = 0.0069930 k( 64) = ( 0.5000000 0.7164591 0.0437693), wk = 0.0069930 k( 65) = ( 0.5000000 0.7052823 0.0113095), wk = 0.0069930 k( 66) = ( 0.5000000 0.6941055 -0.0211502), wk = 0.0069930 k( 67) = ( 0.5000000 0.6829287 -0.0536100), wk = 0.0069930 k( 68) = ( 0.5000000 0.6717519 -0.0860698), wk = 0.0069930 k( 69) = ( 0.5000000 0.6605751 -0.1185295), wk = 0.0069930 k( 70) = ( 0.5000000 0.6493983 -0.1509893), wk = 0.0069930 k( 71) = ( 0.5000000 0.6382215 -0.1834490), wk = 0.0069930 k( 72) = ( 0.5000000 0.6270447 -0.2159088), wk = 0.0069930 k( 73) = ( 0.5000000 0.6270447 -0.2159088), wk = 0.0069930 k( 74) = ( 0.4642857 0.6270447 -0.2159088), wk = 0.0069930 k( 75) = ( 0.4285714 0.6270447 -0.2159088), wk = 0.0069930 k( 76) = ( 0.3928571 0.6270447 -0.2159088), wk = 0.0069930 k( 77) = ( 0.3571429 0.6270447 -0.2159088), wk = 0.0069930 k( 78) = ( 0.3214286 0.6270447 -0.2159088), wk = 0.0069930 k( 79) = ( 0.2857143 0.6270447 -0.2159088), wk = 0.0069930 k( 80) = ( 0.2500000 0.6270447 -0.2159088), wk = 0.0069930 k( 81) = ( 0.2142857 0.6270447 -0.2159088), wk = 0.0069930 k( 82) = ( 0.1785714 0.6270447 -0.2159088), wk = 0.0069930 k( 83) = ( 0.1428571 0.6270447 -0.2159088), wk = 0.0069930 k( 84) = ( 0.1071429 0.6270447 -0.2159088), wk = 0.0069930 k( 85) = ( 0.0714286 0.6270447 -0.2159088), wk = 0.0069930 k( 86) = ( 0.0357143 0.6270447 -0.2159088), wk = 0.0069930 k( 87) = ( 0.0000000 0.6270447 -0.2159088), wk = 0.0069930 k( 88) = ( 0.0000000 0.6270447 -0.2159088), wk = 0.0069930 k( 89) = ( 0.0000000 0.6382215 -0.1834490), wk = 0.0069930 k( 90) = ( 0.0000000 0.6493983 -0.1509893), wk = 0.0069930 k( 91) = ( 0.0000000 0.6605751 -0.1185295), wk = 0.0069930 k( 92) = ( 0.0000000 0.6717519 -0.0860698), wk = 0.0069930 k( 93) = ( 0.0000000 0.6829287 -0.0536100), wk = 0.0069930 k( 94) = ( 0.0000000 0.6941055 -0.0211502), wk = 0.0069930 k( 95) = ( 0.0000000 0.7052823 0.0113095), wk = 0.0069930 k( 96) = ( 0.0000000 0.7164591 0.0437693), wk = 0.0069930 k( 97) = ( 0.0000000 0.7276359 0.0762291), wk = 0.0069930 k( 98) = ( 0.5000000 0.5264536 0.5080467), wk = 0.0069930 k( 99) = ( 0.5000000 0.4913567 0.5080467), wk = 0.0069930 k( 100) = ( 0.5000000 0.4562598 0.5080467), wk = 0.0069930 k( 101) = ( 0.5000000 0.4211629 0.5080467), wk = 0.0069930 k( 102) = ( 0.5000000 0.3860659 0.5080467), wk = 0.0069930 k( 103) = ( 0.5000000 0.3509691 0.5080467), wk = 0.0069930 k( 104) = ( 0.5000000 0.3158721 0.5080467), wk = 0.0069930 k( 105) = ( 0.5000000 0.2807752 0.5080467), wk = 0.0069930 k( 106) = ( 0.5000000 0.2456783 0.5080467), wk = 0.0069930 k( 107) = ( 0.5000000 0.2105814 0.5080467), wk = 0.0069930 k( 108) = ( 0.5000000 0.1754845 0.5080467), wk = 0.0069930 k( 109) = ( 0.5000000 0.1403876 0.5080467), wk = 0.0069930 k( 110) = ( 0.5000000 0.1052907 0.5080467), wk = 0.0069930 k( 111) = ( 0.5000000 0.0701938 0.5080467), wk = 0.0069930 k( 112) = ( 0.5000000 0.0350969 0.5080467), wk = 0.0069930 k( 113) = ( 0.5000000 -0.0000000 0.5080467), wk = 0.0069930 k( 114) = ( 0.5000000 -0.0000000 0.5080467), wk = 0.0069930 k( 115) = ( 0.5000000 -0.0000000 0.4717576), wk = 0.0069930 k( 116) = ( 0.5000000 -0.0000000 0.4354686), wk = 0.0069930 k( 117) = ( 0.5000000 -0.0000000 0.3991795), wk = 0.0069930 k( 118) = ( 0.5000000 -0.0000000 0.3628905), wk = 0.0069930 k( 119) = ( 0.5000000 -0.0000000 0.3266014), wk = 0.0069930 k( 120) = ( 0.5000000 -0.0000000 0.2903124), wk = 0.0069930 k( 121) = ( 0.5000000 -0.0000000 0.2540233), wk = 0.0069930 k( 122) = ( 0.5000000 -0.0000000 0.2177343), wk = 0.0069930 k( 123) = ( 0.5000000 -0.0000000 0.1814452), wk = 0.0069930 k( 124) = ( 0.5000000 -0.0000000 0.1451562), wk = 0.0069930 k( 125) = ( 0.5000000 -0.0000000 0.1088672), wk = 0.0069930 k( 126) = ( 0.5000000 -0.0000000 0.0725781), wk = 0.0069930 k( 127) = ( 0.5000000 -0.0000000 0.0362891), wk = 0.0069930 k( 128) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0069930 k( 129) = ( 0.0000000 0.0000000 0.5080467), wk = 0.0069930 k( 130) = ( 0.0357143 -0.0000000 0.5080467), wk = 0.0069930 k( 131) = ( 0.0714286 -0.0000000 0.5080467), wk = 0.0069930 k( 132) = ( 0.1071429 -0.0000000 0.5080467), wk = 0.0069930 k( 133) = ( 0.1428571 -0.0000000 0.5080467), wk = 0.0069930 k( 134) = ( 0.1785714 -0.0000000 0.5080467), wk = 0.0069930 k( 135) = ( 0.2142857 -0.0000000 0.5080467), wk = 0.0069930 k( 136) = ( 0.2500000 -0.0000000 0.5080467), wk = 0.0069930 k( 137) = ( 0.2857143 -0.0000000 0.5080467), wk = 0.0069930 k( 138) = ( 0.3214286 -0.0000000 0.5080467), wk = 0.0069930 k( 139) = ( 0.3571429 -0.0000000 0.5080467), wk = 0.0069930 k( 140) = ( 0.3928571 -0.0000000 0.5080467), wk = 0.0069930 k( 141) = ( 0.4285714 -0.0000000 0.5080467), wk = 0.0069930 k( 142) = ( 0.4642857 -0.0000000 0.5080467), wk = 0.0069930 k( 143) = ( 0.5000000 -0.0000000 0.5080467), wk = 0.0069930 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0069930 k( 2) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0069930 k( 3) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0069930 k( 4) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0069930 k( 5) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0069930 k( 6) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0069930 k( 7) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0069930 k( 8) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0069930 k( 9) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0069930 k( 10) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0069930 k( 11) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0069930 k( 12) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0069930 k( 13) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0069930 k( 14) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0069930 k( 15) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0069930 k( 16) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0069930 k( 17) = ( 0.0000000 0.0279860 0.5118934), wk = 0.0069930 k( 18) = ( 0.0000000 0.0559719 0.5237869), wk = 0.0069930 k( 19) = ( 0.0000000 0.0839579 0.5356803), wk = 0.0069930 k( 20) = ( 0.0000000 0.1119439 0.5475737), wk = 0.0069930 k( 21) = ( 0.0000000 0.1399298 0.5594671), wk = 0.0069930 k( 22) = ( 0.0000000 0.1679158 0.5713606), wk = 0.0069930 k( 23) = ( 0.0000000 0.1959018 0.5832540), wk = 0.0069930 k( 24) = ( 0.0000000 0.2238877 0.5951474), wk = 0.0069930 k( 25) = ( 0.0000000 0.2518737 0.6070408), wk = 0.0069930 k( 26) = ( 0.0000000 0.2798597 0.6189343), wk = 0.0069930 k( 27) = ( 0.0000000 0.3078456 0.6308277), wk = 0.0069930 k( 28) = ( 0.0000000 0.3358316 0.6427211), wk = 0.0069930 k( 29) = ( 0.0000000 0.3638176 0.6546146), wk = 0.0069930 k( 30) = ( 0.0000000 0.3918035 0.6665080), wk = 0.0069930 k( 31) = ( 0.0000000 0.4197895 0.6784014), wk = 0.0069930 k( 32) = ( 0.0000000 0.4197895 0.6784014), wk = 0.0069930 k( 33) = ( 0.0000000 0.4312481 0.6529155), wk = 0.0069930 k( 34) = ( 0.0000000 0.4427068 0.6274296), wk = 0.0069930 k( 35) = ( 0.0000000 0.4541654 0.6019437), wk = 0.0069930 k( 36) = ( 0.0000000 0.4656241 0.5764577), wk = 0.0069930 k( 37) = ( 0.0000000 0.4770827 0.5509718), wk = 0.0069930 k( 38) = ( 0.0000000 0.4885414 0.5254859), wk = 0.0069930 k( 39) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0069930 k( 40) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0069930 k( 41) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0069930 k( 42) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0069930 k( 43) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0069930 k( 44) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0069930 k( 45) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0069930 k( 46) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0069930 k( 47) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0069930 k( 48) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0069930 k( 49) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0069930 k( 50) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0069930 k( 51) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0069930 k( 52) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0069930 k( 53) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0069930 k( 54) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0069930 k( 55) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0069930 k( 56) = ( 0.5000000 0.5114586 0.4745141), wk = 0.0069930 k( 57) = ( 0.5000000 0.5229173 0.4490282), wk = 0.0069930 k( 58) = ( 0.5000000 0.5343759 0.4235423), wk = 0.0069930 k( 59) = ( 0.5000000 0.5458346 0.3980563), wk = 0.0069930 k( 60) = ( 0.5000000 0.5572932 0.3725704), wk = 0.0069930 k( 61) = ( 0.5000000 0.5687519 0.3470845), wk = 0.0069930 k( 62) = ( 0.5000000 0.5802105 0.3215986), wk = 0.0069930 k( 63) = ( 0.5000000 0.5802105 0.3215986), wk = 0.0069930 k( 64) = ( 0.5000000 0.5712982 0.2858654), wk = 0.0069930 k( 65) = ( 0.5000000 0.5623859 0.2501322), wk = 0.0069930 k( 66) = ( 0.5000000 0.5534737 0.2143991), wk = 0.0069930 k( 67) = ( 0.5000000 0.5445614 0.1786659), wk = 0.0069930 k( 68) = ( 0.5000000 0.5356491 0.1429327), wk = 0.0069930 k( 69) = ( 0.5000000 0.5267368 0.1071995), wk = 0.0069930 k( 70) = ( 0.5000000 0.5178246 0.0714663), wk = 0.0069930 k( 71) = ( 0.5000000 0.5089123 0.0357332), wk = 0.0069930 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0069930 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0069930 k( 74) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0069930 k( 75) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0069930 k( 76) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0069930 k( 77) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0069930 k( 78) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0069930 k( 79) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0069930 k( 80) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0069930 k( 81) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0069930 k( 82) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0069930 k( 83) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0069930 k( 84) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0069930 k( 85) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0069930 k( 86) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0069930 k( 87) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0069930 k( 88) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0069930 k( 89) = ( 0.0000000 0.5089123 0.0357332), wk = 0.0069930 k( 90) = ( 0.0000000 0.5178246 0.0714663), wk = 0.0069930 k( 91) = ( 0.0000000 0.5267368 0.1071995), wk = 0.0069930 k( 92) = ( 0.0000000 0.5356491 0.1429327), wk = 0.0069930 k( 93) = ( 0.0000000 0.5445614 0.1786659), wk = 0.0069930 k( 94) = ( 0.0000000 0.5534737 0.2143991), wk = 0.0069930 k( 95) = ( 0.0000000 0.5623859 0.2501322), wk = 0.0069930 k( 96) = ( 0.0000000 0.5712982 0.2858654), wk = 0.0069930 k( 97) = ( 0.0000000 0.5802105 0.3215986), wk = 0.0069930 k( 98) = ( 0.5000000 0.4197895 0.6784014), wk = 0.0069930 k( 99) = ( 0.5000000 0.3918035 0.6665080), wk = 0.0069930 k( 100) = ( 0.5000000 0.3638176 0.6546146), wk = 0.0069930 k( 101) = ( 0.5000000 0.3358316 0.6427211), wk = 0.0069930 k( 102) = ( 0.5000000 0.3078456 0.6308277), wk = 0.0069930 k( 103) = ( 0.5000000 0.2798597 0.6189343), wk = 0.0069930 k( 104) = ( 0.5000000 0.2518737 0.6070408), wk = 0.0069930 k( 105) = ( 0.5000000 0.2238877 0.5951474), wk = 0.0069930 k( 106) = ( 0.5000000 0.1959018 0.5832540), wk = 0.0069930 k( 107) = ( 0.5000000 0.1679158 0.5713606), wk = 0.0069930 k( 108) = ( 0.5000000 0.1399298 0.5594671), wk = 0.0069930 k( 109) = ( 0.5000000 0.1119439 0.5475737), wk = 0.0069930 k( 110) = ( 0.5000000 0.0839579 0.5356803), wk = 0.0069930 k( 111) = ( 0.5000000 0.0559719 0.5237869), wk = 0.0069930 k( 112) = ( 0.5000000 0.0279860 0.5118934), wk = 0.0069930 k( 113) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0069930 k( 114) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0069930 k( 115) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0069930 k( 116) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0069930 k( 117) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0069930 k( 118) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0069930 k( 119) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0069930 k( 120) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0069930 k( 121) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0069930 k( 122) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0069930 k( 123) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0069930 k( 124) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0069930 k( 125) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0069930 k( 126) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0069930 k( 127) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0069930 k( 128) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0069930 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0069930 k( 130) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0069930 k( 131) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0069930 k( 132) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0069930 k( 133) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0069930 k( 134) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0069930 k( 135) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0069930 k( 136) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0069930 k( 137) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0069930 k( 138) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0069930 k( 139) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0069930 k( 140) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0069930 k( 141) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0069930 k( 142) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0069930 k( 143) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0069930 Dense grid: 603427 G-vectors FFT dimensions: ( 120, 96, 120) Smooth grid: 443849 G-vectors FFT dimensions: ( 108, 81, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 3.65 Mb ( 1554, 154) NL pseudopotentials 3.22 Mb ( 777, 272) Each V/rho on FFT grid 0.35 Mb ( 23040) Each G-vector array 0.06 Mb ( 8384) G-vector shells 0.06 Mb ( 8164) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 14.61 Mb ( 1554, 616) Each subspace H/S matrix 0.16 Mb ( 102, 102) Each matrix 1.28 Mb ( 272, 2, 154) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Os.save/charge-density.dat Starting wfc are 160 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 9.4 secs Computing kpt #: 2 total cpu time spent up to now is 16.8 secs Computing kpt #: 3 total cpu time spent up to now is 24.3 secs Computing kpt #: 4 total cpu time spent up to now is 31.8 secs Computing kpt #: 5 total cpu time spent up to now is 39.4 secs Computing kpt #: 6 total cpu time spent up to now is 46.8 secs Computing kpt #: 7 total cpu time spent up to now is 54.3 secs Computing kpt #: 8 total cpu time spent up to now is 61.9 secs Computing kpt #: 9 total cpu time spent up to now is 69.6 secs Computing kpt #: 10 total cpu time spent up to now is 77.2 secs Computing kpt #: 11 total cpu time spent up to now is 84.8 secs Computing kpt #: 12 total cpu time spent up to now is 92.5 secs Computing kpt #: 13 total cpu time spent up to now is 100.1 secs Computing kpt #: 14 total cpu time spent up to now is 107.9 secs Computing kpt #: 15 total cpu time spent up to now is 115.3 secs Computing kpt #: 16 total cpu time spent up to now is 122.9 secs Computing kpt #: 17 total cpu time spent up to now is 130.3 secs Computing kpt #: 18 total cpu time spent up to now is 137.7 secs Computing kpt #: 19 total cpu time spent up to now is 145.1 secs Computing kpt #: 20 total cpu time spent up to now is 152.8 secs Computing kpt #: 21 total cpu time spent up to now is 160.4 secs Computing kpt #: 22 total cpu time spent up to now is 168.0 secs Computing kpt #: 23 total cpu time spent up to now is 175.8 secs Computing kpt #: 24 total cpu time spent up to now is 183.6 secs Computing kpt #: 25 total cpu time spent up to now is 191.5 secs Computing kpt #: 26 total cpu time spent up to now is 199.4 secs Computing kpt #: 27 total cpu time spent up to now is 207.3 secs Computing kpt #: 28 total cpu time spent up to now is 215.2 secs Computing kpt #: 29 total cpu time spent up to now is 223.3 secs Computing kpt #: 30 total cpu time spent up to now is 232.0 secs Computing kpt #: 31 total cpu time spent up to now is 239.9 secs Computing kpt #: 32 total cpu time spent up to now is 247.9 secs Computing kpt #: 33 total cpu time spent up to now is 256.0 secs Computing kpt #: 34 total cpu time spent up to now is 263.9 secs Computing kpt #: 35 total cpu time spent up to now is 272.0 secs Computing kpt #: 36 total cpu time spent up to now is 280.0 secs Computing kpt #: 37 total cpu time spent up to now is 287.9 secs Computing kpt #: 38 total cpu time spent up to now is 296.0 secs Computing kpt #: 39 total cpu time spent up to now is 304.1 secs Computing kpt #: 40 total cpu time spent up to now is 312.2 secs Computing kpt #: 41 total cpu time spent up to now is 320.3 secs Computing kpt #: 42 total cpu time spent up to now is 328.2 secs Computing kpt #: 43 total cpu time spent up to now is 336.3 secs Computing kpt #: 44 total cpu time spent up to now is 344.4 secs Computing kpt #: 45 total cpu time spent up to now is 352.5 secs Computing kpt #: 46 total cpu time spent up to now is 360.5 secs Computing kpt #: 47 total cpu time spent up to now is 368.6 secs Computing kpt #: 48 total cpu time spent up to now is 376.7 secs Computing kpt #: 49 total cpu time spent up to now is 384.8 secs Computing kpt #: 50 total cpu time spent up to now is 392.9 secs Computing kpt #: 51 total cpu time spent up to now is 401.0 secs Computing kpt #: 52 total cpu time spent up to now is 409.1 secs Computing kpt #: 53 total cpu time spent up to now is 417.2 secs Computing kpt #: 54 total cpu time spent up to now is 425.3 secs Computing kpt #: 55 total cpu time spent up to now is 433.3 secs Computing kpt #: 56 total cpu time spent up to now is 441.4 secs Computing kpt #: 57 total cpu time spent up to now is 449.5 secs Computing kpt #: 58 total cpu time spent up to now is 457.5 secs Computing kpt #: 59 total cpu time spent up to now is 465.7 secs Computing kpt #: 60 total cpu time spent up to now is 473.8 secs Computing kpt #: 61 total cpu time spent up to now is 481.9 secs Computing kpt #: 62 total cpu time spent up to now is 489.9 secs Computing kpt #: 63 total cpu time spent up to now is 498.0 secs Computing kpt #: 64 total cpu time spent up to now is 506.0 secs Computing kpt #: 65 total cpu time spent up to now is 514.0 secs Computing kpt #: 66 total cpu time spent up to now is 522.0 secs Computing kpt #: 67 total cpu time spent up to now is 530.6 secs Computing kpt #: 68 total cpu time spent up to now is 538.6 secs Computing kpt #: 69 total cpu time spent up to now is 546.6 secs Computing kpt #: 70 total cpu time spent up to now is 554.7 secs Computing kpt #: 71 total cpu time spent up to now is 562.7 secs Computing kpt #: 72 total cpu time spent up to now is 570.8 secs Computing kpt #: 73 total cpu time spent up to now is 578.8 secs Computing kpt #: 74 total cpu time spent up to now is 586.8 secs Computing kpt #: 75 total cpu time spent up to now is 594.8 secs Computing kpt #: 76 total cpu time spent up to now is 602.8 secs Computing kpt #: 77 total cpu time spent up to now is 610.8 secs Computing kpt #: 78 total cpu time spent up to now is 618.7 secs Computing kpt #: 79 total cpu time spent up to now is 626.7 secs Computing kpt #: 80 total cpu time spent up to now is 634.8 secs Computing kpt #: 81 total cpu time spent up to now is 642.9 secs Computing kpt #: 82 total cpu time spent up to now is 650.9 secs Computing kpt #: 83 total cpu time spent up to now is 658.9 secs Computing kpt #: 84 total cpu time spent up to now is 666.9 secs Computing kpt #: 85 total cpu time spent up to now is 674.9 secs Computing kpt #: 86 total cpu time spent up to now is 682.8 secs Computing kpt #: 87 total cpu time spent up to now is 690.8 secs Computing kpt #: 88 total cpu time spent up to now is 698.7 secs Computing kpt #: 89 total cpu time spent up to now is 706.7 secs Computing kpt #: 90 total cpu time spent up to now is 714.7 secs Computing kpt #: 91 total cpu time spent up to now is 722.7 secs Computing kpt #: 92 total cpu time spent up to now is 730.7 secs Computing kpt #: 93 total cpu time spent up to now is 738.7 secs Computing kpt #: 94 total cpu time spent up to now is 746.7 secs Computing kpt #: 95 total cpu time spent up to now is 754.6 secs Computing kpt #: 96 total cpu time spent up to now is 762.7 secs Computing kpt #: 97 total cpu time spent up to now is 770.6 secs Computing kpt #: 98 total cpu time spent up to now is 778.5 secs Computing kpt #: 99 total cpu time spent up to now is 786.5 secs Computing kpt #: 100 total cpu time spent up to now is 794.6 secs Computing kpt #: 101 total cpu time spent up to now is 802.7 secs Computing kpt #: 102 total cpu time spent up to now is 810.8 secs Computing kpt #: 103 total cpu time spent up to now is 819.0 secs Computing kpt #: 104 total cpu time spent up to now is 827.7 secs Computing kpt #: 105 total cpu time spent up to now is 835.9 secs Computing kpt #: 106 total cpu time spent up to now is 844.1 secs Computing kpt #: 107 total cpu time spent up to now is 852.2 secs Computing kpt #: 108 total cpu time spent up to now is 860.3 secs Computing kpt #: 109 total cpu time spent up to now is 868.4 secs Computing kpt #: 110 total cpu time spent up to now is 876.2 secs Computing kpt #: 111 total cpu time spent up to now is 884.1 secs Computing kpt #: 112 total cpu time spent up to now is 892.0 secs Computing kpt #: 113 total cpu time spent up to now is 899.9 secs Computing kpt #: 114 total cpu time spent up to now is 907.8 secs Computing kpt #: 115 total cpu time spent up to now is 915.6 secs Computing kpt #: 116 total cpu time spent up to now is 923.5 secs Computing kpt #: 117 total cpu time spent up to now is 931.3 secs Computing kpt #: 118 total cpu time spent up to now is 939.2 secs Computing kpt #: 119 total cpu time spent up to now is 947.2 secs Computing kpt #: 120 total cpu time spent up to now is 955.0 secs Computing kpt #: 121 total cpu time spent up to now is 963.0 secs Computing kpt #: 122 total cpu time spent up to now is 970.9 secs Computing kpt #: 123 total cpu time spent up to now is 978.8 secs Computing kpt #: 124 total cpu time spent up to now is 986.7 secs Computing kpt #: 125 total cpu time spent up to now is 994.7 secs Computing kpt #: 126 total cpu time spent up to now is 1002.6 secs Computing kpt #: 127 total cpu time spent up to now is 1010.5 secs Computing kpt #: 128 total cpu time spent up to now is 1018.1 secs Computing kpt #: 129 total cpu time spent up to now is 1025.5 secs Computing kpt #: 130 total cpu time spent up to now is 1033.4 secs Computing kpt #: 131 total cpu time spent up to now is 1041.2 secs Computing kpt #: 132 total cpu time spent up to now is 1049.2 secs Computing kpt #: 133 total cpu time spent up to now is 1057.0 secs Computing kpt #: 134 total cpu time spent up to now is 1065.0 secs Computing kpt #: 135 total cpu time spent up to now is 1072.9 secs Computing kpt #: 136 total cpu time spent up to now is 1080.8 secs Computing kpt #: 137 total cpu time spent up to now is 1088.7 secs Computing kpt #: 138 total cpu time spent up to now is 1096.7 secs Computing kpt #: 139 total cpu time spent up to now is 1104.7 secs Computing kpt #: 140 total cpu time spent up to now is 1112.5 secs Computing kpt #: 141 total cpu time spent up to now is 1120.5 secs Computing kpt #: 142 total cpu time spent up to now is 1128.9 secs Computing kpt #: 143 total cpu time spent up to now is 1136.9 secs ethr = 7.81E-09, avg # of iterations = 16.3 total cpu time spent up to now is 1136.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 55489 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5678 -43.5678 -43.5678 -43.5678 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.8279 -3.8279 -3.7341 -3.7341 -3.7187 -3.7187 -3.7116 -3.7116 -3.2949 -3.2949 -3.2931 -3.2931 -3.2930 -3.2930 -3.2926 -3.2926 -3.2563 -3.2563 -3.2562 -3.2562 -3.2555 -3.2555 -3.2548 -3.2548 -3.2383 -3.2383 -3.2344 -3.2344 -3.2302 -3.2302 -3.2289 -3.2289 -3.1792 -3.1792 -3.0828 -3.0828 -3.0506 -3.0506 -3.0345 -3.0345 -2.4442 -2.4442 -2.4295 -2.4295 -2.3986 -2.3986 -2.3801 -2.3801 -2.3644 -2.3644 -2.3607 -2.3607 -2.3604 -2.3604 -2.3502 -2.3502 -2.2887 -2.2887 -2.2688 -2.2688 -2.2540 -2.2540 -2.2495 -2.2495 -2.2484 -2.2484 -2.2260 -2.2260 -2.2242 -2.2242 -2.2175 -2.2175 -2.1824 -2.1824 -2.1767 -2.1767 -2.1742 -2.1742 -2.1739 -2.1739 -2.0941 -2.0941 -2.0878 -2.0878 -2.0865 -2.0865 -2.0836 -2.0836 -1.9460 -1.9460 k = 0.0000 0.0000 0.0363 ( 55488 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5678 -43.5678 -43.5678 -43.5678 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.8276 -3.8276 -3.7344 -3.7344 -3.7186 -3.7186 -3.7116 -3.7116 -3.2949 -3.2949 -3.2932 -3.2932 -3.2929 -3.2929 -3.2925 -3.2925 -3.2563 -3.2563 -3.2562 -3.2562 -3.2555 -3.2555 -3.2548 -3.2548 -3.2383 -3.2383 -3.2344 -3.2344 -3.2302 -3.2302 -3.2289 -3.2289 -3.1790 -3.1790 -3.0832 -3.0832 -3.0505 -3.0505 -3.0345 -3.0345 -2.4445 -2.4445 -2.4297 -2.4297 -2.3983 -2.3983 -2.3798 -2.3798 -2.3644 -2.3644 -2.3609 -2.3609 -2.3602 -2.3602 -2.3502 -2.3502 -2.2886 -2.2886 -2.2689 -2.2689 -2.2540 -2.2540 -2.2496 -2.2496 -2.2484 -2.2484 -2.2261 -2.2261 -2.2241 -2.2241 -2.2175 -2.2175 -2.1824 -2.1824 -2.1766 -2.1766 -2.1743 -2.1743 -2.1738 -2.1738 -2.0941 -2.0941 -2.0878 -2.0878 -2.0865 -2.0865 -2.0836 -2.0836 -1.9459 -1.9459 k = 0.0000 0.0000 0.0726 ( 55516 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5678 -43.5678 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.8266 -3.8266 -3.7352 -3.7352 -3.7186 -3.7186 -3.7117 -3.7117 -3.2949 -3.2949 -3.2933 -3.2933 -3.2928 -3.2928 -3.2925 -3.2925 -3.2564 -3.2564 -3.2562 -3.2562 -3.2555 -3.2555 -3.2548 -3.2548 -3.2382 -3.2382 -3.2345 -3.2345 -3.2302 -3.2302 -3.2289 -3.2289 -3.1783 -3.1783 -3.0845 -3.0845 -3.0502 -3.0502 -3.0346 -3.0346 -2.4453 -2.4453 -2.4306 -2.4306 -2.3974 -2.3974 -2.3790 -2.3790 -2.3644 -2.3644 -2.3611 -2.3611 -2.3600 -2.3600 -2.3502 -2.3502 -2.2884 -2.2884 -2.2690 -2.2690 -2.2541 -2.2541 -2.2498 -2.2498 -2.2485 -2.2485 -2.2264 -2.2264 -2.2236 -2.2236 -2.2175 -2.2175 -2.1823 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-2.2715 -2.2556 -2.2556 -2.2532 -2.2532 -2.2473 -2.2473 -2.2319 -2.2319 -2.2189 -2.2189 -2.2162 -2.2162 -2.1810 -2.1810 -2.1767 -2.1767 -2.1757 -2.1757 -2.1738 -2.1738 -2.0932 -2.0932 -2.0894 -2.0894 -2.0852 -2.0852 -2.0837 -2.0837 -1.9385 -1.9385 k = 0.0000 0.0000 0.3266 ( 55519 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -3.8053 -3.8053 -3.7553 -3.7553 -3.7171 -3.7171 -3.7134 -3.7134 -3.2951 -3.2951 -3.2944 -3.2944 -3.2922 -3.2922 -3.2920 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-2.3560 -2.3514 -2.3514 -2.2808 -2.2808 -2.2739 -2.2739 -2.2563 -2.2563 -2.2550 -2.2550 -2.2447 -2.2447 -2.2365 -2.2365 -2.2167 -2.2167 -2.2154 -2.2154 -2.1799 -2.1799 -2.1775 -2.1775 -2.1754 -2.1754 -2.1743 -2.1743 -2.0924 -2.0924 -2.0904 -2.0904 -2.0845 -2.0845 -2.0837 -2.0837 -1.9332 -1.9332 k = 0.0000 0.0000 0.4355 ( 55500 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7905 -3.7905 -3.7696 -3.7696 -3.7160 -3.7160 -3.7145 -3.7145 -3.2950 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= 0.0000 0.0000 0.5080 ( 55488 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7800 -3.7800 -3.7800 -3.7800 -3.7152 -3.7152 -3.7152 -3.7152 -3.2949 -3.2949 -3.2949 -3.2949 -3.2919 -3.2919 -3.2919 -3.2919 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2547 -3.2547 -3.2362 -3.2362 -3.2362 -3.2362 -3.2305 -3.2305 -3.2305 -3.2305 -3.1378 -3.1378 -3.1378 -3.1378 -3.0406 -3.0406 -3.0406 -3.0406 -2.4536 -2.4536 -2.4536 -2.4536 -2.3734 -2.3734 -2.3734 -2.3734 -2.3623 -2.3623 -2.3623 -2.3623 -2.3533 -2.3533 -2.3533 -2.3533 -2.2772 -2.2772 -2.2772 -2.2772 -2.2561 -2.2561 -2.2561 -2.2561 -2.2410 -2.2410 -2.2410 -2.2410 -2.2155 -2.2155 -2.2155 -2.2155 -2.1787 -2.1787 -2.1787 -2.1787 -2.1749 -2.1749 -2.1749 -2.1749 -2.0914 -2.0914 -2.0914 -2.0914 -2.0840 -2.0840 -2.0840 -2.0840 -1.9272 -1.9272 k = 0.0000 0.0000 0.5080 ( 55488 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7800 -3.7800 -3.7800 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-55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7810 -3.7810 -3.7782 -3.7782 -3.7150 -3.7150 -3.7149 -3.7149 -3.2952 -3.2952 -3.2947 -3.2947 -3.2920 -3.2920 -3.2919 -3.2919 -3.2569 -3.2569 -3.2567 -3.2567 -3.2547 -3.2547 -3.2546 -3.2546 -3.2362 -3.2362 -3.2362 -3.2362 -3.2306 -3.2306 -3.2305 -3.2305 -3.1378 -3.1378 -3.1376 -3.1376 -3.0411 -3.0411 -3.0399 -3.0399 -2.4613 -2.4613 -2.4470 -2.4470 -2.3749 -2.3749 -2.3722 -2.3722 -2.3626 -2.3626 -2.3622 -2.3622 -2.3541 -2.3541 -2.3528 -2.3528 -2.2775 -2.2775 -2.2767 -2.2767 -2.2564 -2.2564 -2.2558 -2.2558 -2.2414 -2.2414 -2.2407 -2.2407 -2.2157 -2.2157 -2.2153 -2.2153 -2.1789 -2.1789 -2.1785 -2.1785 -2.1750 -2.1750 -2.1748 -2.1748 -2.0921 -2.0921 -2.0909 -2.0909 -2.0845 -2.0845 -2.0837 -2.0837 -1.9334 -1.9334 k = 0.0000 0.0702 0.5080 ( 55512 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7812 -3.7812 -3.7756 -3.7756 -3.7142 -3.7142 -3.7139 -3.7139 -3.2954 -3.2954 -3.2945 -3.2945 -3.2920 -3.2920 -3.2919 -3.2919 -3.2570 -3.2570 -3.2565 -3.2565 -3.2547 -3.2547 -3.2546 -3.2546 -3.2362 -3.2362 -3.2362 -3.2362 -3.2306 -3.2306 -3.2304 -3.2304 -3.1376 -3.1376 -3.1372 -3.1372 -3.0416 -3.0416 -3.0391 -3.0391 -2.4699 -2.4699 -2.4414 -2.4414 -2.3770 -2.3770 -2.3716 -2.3716 -2.3630 -2.3630 -2.3622 -2.3622 -2.3553 -2.3553 -2.3527 -2.3527 -2.2778 -2.2778 -2.2762 -2.2762 -2.2567 -2.2567 -2.2554 -2.2554 -2.2417 -2.2417 -2.2405 -2.2405 -2.2159 -2.2159 -2.2152 -2.2152 -2.1790 -2.1790 -2.1783 -2.1783 -2.1750 -2.1750 -2.1746 -2.1746 -2.0927 -2.0927 -2.0904 -2.0904 -2.0850 -2.0850 -2.0835 -2.0835 -1.9410 -1.9410 k = 0.0000 0.1053 0.5080 ( 55515 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 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-2.1747 -2.1742 -2.1742 -2.0939 -2.0939 -2.0897 -2.0897 -2.0864 -2.0864 -2.0835 -2.0835 -1.9591 -1.9591 k = 0.0000 0.1755 0.5080 ( 55524 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7767 -3.7767 -3.7636 -3.7636 -3.7085 -3.7085 -3.7077 -3.7077 -3.2961 -3.2961 -3.2939 -3.2939 -3.2923 -3.2923 -3.2920 -3.2920 -3.2574 -3.2574 -3.2562 -3.2562 -3.2549 -3.2549 -3.2547 -3.2547 -3.2362 -3.2362 -3.2361 -3.2361 -3.2308 -3.2308 -3.2301 -3.2301 -3.1356 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-2.2158 -2.1796 -2.1796 -2.1773 -2.1773 -2.1740 -2.1740 -2.1735 -2.1735 -2.0948 -2.0948 -2.0896 -2.0896 -2.0884 -2.0884 -2.0840 -2.0840 -1.9883 -1.9883 k = 0.0000 0.2808 0.5080 ( 55501 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7659 -3.7659 -3.7479 -3.7479 -3.6992 -3.6992 -3.6977 -3.6977 -3.2966 -3.2966 -3.2936 -3.2936 -3.2928 -3.2928 -3.2922 -3.2922 -3.2577 -3.2577 -3.2559 -3.2559 -3.2553 -3.2553 -3.2548 -3.2548 -3.2362 -3.2362 -3.2360 -3.2360 -3.2307 -3.2307 -3.2299 -3.2299 -3.1324 -3.1324 -3.1296 -3.1296 -3.0425 -3.0425 -3.0324 -3.0324 -2.5378 -2.5378 -2.4294 -2.4294 -2.4012 -2.4012 -2.3844 -2.3844 -2.3662 -2.3662 -2.3640 -2.3640 -2.3606 -2.3606 -2.3556 -2.3556 -2.2773 -2.2773 -2.2732 -2.2732 -2.2579 -2.2579 -2.2531 -2.2531 -2.2439 -2.2439 -2.2392 -2.2392 -2.2185 -2.2185 -2.2160 -2.2160 -2.1797 -2.1797 -2.1771 -2.1771 -2.1738 -2.1738 -2.1732 -2.1732 -2.0948 -2.0948 -2.0899 -2.0899 -2.0888 -2.0888 -2.0842 -2.0842 -1.9975 -1.9975 k = 0.0000 0.3159 0.5080 ( 55487 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 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-87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7564 -3.7564 -3.7377 -3.7377 -3.6920 -3.6920 -3.6902 -3.6902 -3.2970 -3.2970 -3.2937 -3.2937 -3.2931 -3.2931 -3.2925 -3.2925 -3.2579 -3.2579 -3.2558 -3.2558 -3.2555 -3.2555 -3.2549 -3.2549 -3.2362 -3.2362 -3.2359 -3.2359 -3.2306 -3.2306 -3.2297 -3.2297 -3.1303 -3.1303 -3.1251 -3.1251 -3.0420 -3.0420 -3.0298 -3.0298 -2.5618 -2.5618 -2.4352 -2.4352 -2.4115 -2.4115 -2.3955 -2.3955 -2.3668 -2.3668 -2.3644 -2.3644 -2.3607 -2.3607 -2.3567 -2.3567 -2.2763 -2.2763 -2.2726 -2.2726 -2.2581 -2.2581 -2.2526 -2.2526 -2.2446 -2.2446 -2.2386 -2.2386 -2.2195 -2.2195 -2.2165 -2.2165 -2.1799 -2.1799 -2.1767 -2.1767 -2.1733 -2.1733 -2.1729 -2.1729 -2.0943 -2.0943 -2.0904 -2.0904 -2.0888 -2.0888 -2.0845 -2.0845 -2.0138 -2.0138 k = 0.0000 0.3861 0.5080 ( 55483 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7513 -3.7513 -3.7332 -3.7332 -3.6884 -3.6884 -3.6865 -3.6865 -3.2971 -3.2971 -3.2938 -3.2938 -3.2933 -3.2933 -3.2926 -3.2926 -3.2580 -3.2580 -3.2558 -3.2558 -3.2556 -3.2556 -3.2550 -3.2550 -3.2362 -3.2362 -3.2358 -3.2358 -3.2306 -3.2306 -3.2297 -3.2297 -3.1295 -3.1295 -3.1225 -3.1225 -3.0416 -3.0416 -3.0285 -3.0285 -2.5726 -2.5726 -2.4402 -2.4402 -2.4160 -2.4160 -2.4014 -2.4014 -2.3671 -2.3671 -2.3644 -2.3644 -2.3606 -2.3606 -2.3572 -2.3572 -2.2757 -2.2757 -2.2723 -2.2723 -2.2581 -2.2581 -2.2525 -2.2525 -2.2449 -2.2449 -2.2383 -2.2383 -2.2199 -2.2199 -2.2168 -2.2168 -2.1800 -2.1800 -2.1765 -2.1765 -2.1731 -2.1731 -2.1727 -2.1727 -2.0937 -2.0937 -2.0905 -2.0905 -2.0886 -2.0886 -2.0846 -2.0846 -2.0208 -2.0208 k = 0.0000 0.4212 0.5080 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 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bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -3.7315 -3.7315 -3.7244 -3.7244 -3.6758 -3.6758 -3.6750 -3.6750 -3.2975 -3.2975 -3.2946 -3.2946 -3.2937 -3.2937 -3.2931 -3.2931 -3.2582 -3.2582 -3.2562 -3.2562 -3.2555 -3.2555 -3.2551 -3.2551 -3.2364 -3.2364 -3.2354 -3.2354 -3.2303 -3.2303 -3.2295 -3.2295 -3.1307 -3.1307 -3.1108 -3.1108 -3.0377 -3.0377 -3.0252 -3.0252 -2.6006 -2.6006 -2.4660 -2.4660 -2.4288 -2.4288 -2.4223 -2.4223 -2.3675 -2.3675 -2.3639 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-2.0390 -2.0390 k = 0.0000 0.5696 0.4155 ( 55455 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7307 -3.7307 -3.7243 -3.7243 -3.6720 -3.6720 -3.6715 -3.6715 -3.2970 -3.2970 -3.2953 -3.2953 -3.2936 -3.2936 -3.2933 -3.2933 -3.2578 -3.2578 -3.2567 -3.2567 -3.2555 -3.2555 -3.2552 -3.2552 -3.2362 -3.2362 -3.2356 -3.2356 -3.2301 -3.2301 -3.2295 -3.2295 -3.1267 -3.1267 -3.1168 -3.1168 -3.0323 -3.0323 -3.0237 -3.0237 -2.5807 -2.5807 -2.4953 -2.4953 -2.4312 -2.4312 -2.4274 -2.4274 -2.3671 -2.3671 -2.3633 -2.3633 -2.3618 -2.3618 -2.3587 -2.3587 -2.2735 -2.2735 -2.2716 -2.2716 -2.2575 -2.2575 -2.2535 -2.2535 -2.2439 -2.2439 -2.2382 -2.2382 -2.2208 -2.2208 -2.2183 -2.2183 -2.1796 -2.1796 -2.1769 -2.1769 -2.1727 -2.1727 -2.1725 -2.1725 -2.0898 -2.0898 -2.0888 -2.0888 -2.0848 -2.0848 -2.0832 -2.0832 -2.0379 -2.0379 k = 0.0000 0.5839 0.3847 ( 55468 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 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-2.0893 -2.0887 -2.0887 -2.0840 -2.0840 -2.0833 -2.0833 -2.0346 -2.0346 k = 0.0000 0.6127 0.3230 ( 55487 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7285 -3.7285 -3.7267 -3.7267 -3.6699 -3.6699 -3.6698 -3.6698 -3.2964 -3.2964 -3.2959 -3.2959 -3.2936 -3.2936 -3.2935 -3.2935 -3.2574 -3.2574 -3.2571 -3.2571 -3.2554 -3.2554 -3.2553 -3.2553 -3.2359 -3.2359 -3.2358 -3.2358 -3.2299 -3.2299 -3.2297 -3.2297 -3.1236 -3.1236 -3.1213 -3.1213 -3.0272 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-2.1783 -2.1783 -2.1726 -2.1726 -2.1726 -2.1726 -2.0889 -2.0889 -2.0889 -2.0889 -2.0835 -2.0835 -2.0835 -2.0835 -2.0297 -2.0297 k = 0.0357 0.6270 0.2921 ( 55492 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7275 -3.7275 -3.7275 -3.7275 -3.6699 -3.6699 -3.6698 -3.6698 -3.2961 -3.2961 -3.2961 -3.2961 -3.2936 -3.2936 -3.2935 -3.2935 -3.2573 -3.2573 -3.2573 -3.2573 -3.2554 -3.2554 -3.2554 -3.2554 -3.2359 -3.2359 -3.2358 -3.2358 -3.2298 -3.2298 -3.2298 -3.2298 -3.1224 -3.1224 -3.1222 -3.1222 -3.0261 -3.0261 -3.0261 -3.0261 -2.5403 -2.5403 -2.5402 -2.5402 -2.4317 -2.4317 -2.4316 -2.4316 -2.3658 -2.3658 -2.3655 -2.3655 -2.3599 -2.3599 -2.3595 -2.3595 -2.2725 -2.2725 -2.2723 -2.2723 -2.2557 -2.2557 -2.2557 -2.2557 -2.2410 -2.2410 -2.2408 -2.2408 -2.2199 -2.2199 -2.2196 -2.2196 -2.1784 -2.1784 -2.1782 -2.1782 -2.1727 -2.1727 -2.1726 -2.1726 -2.0889 -2.0889 -2.0888 -2.0888 -2.0836 -2.0836 -2.0834 -2.0834 -2.0297 -2.0297 k = 0.0714 0.6270 0.2921 ( 55510 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 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-87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7265 -3.7265 -3.7263 -3.7263 -3.6706 -3.6706 -3.6706 -3.6706 -3.2961 -3.2961 -3.2961 -3.2961 -3.2936 -3.2936 -3.2936 -3.2936 -3.2572 -3.2572 -3.2572 -3.2572 -3.2554 -3.2554 -3.2554 -3.2554 -3.2357 -3.2357 -3.2356 -3.2356 -3.2298 -3.2298 -3.2298 -3.2298 -3.1211 -3.1211 -3.1206 -3.1206 -3.0281 -3.0281 -3.0280 -3.0280 -2.5379 -2.5379 -2.5377 -2.5377 -2.4346 -2.4346 -2.4344 -2.4344 -2.3660 -2.3660 -2.3652 -2.3652 -2.3602 -2.3602 -2.3592 -2.3592 -2.2724 -2.2724 -2.2718 -2.2718 -2.2555 -2.2555 -2.2554 -2.2554 -2.2413 -2.2413 -2.2406 -2.2406 -2.2215 -2.2215 -2.2205 -2.2205 -2.1784 -2.1784 -2.1781 -2.1781 -2.1730 -2.1730 -2.1727 -2.1727 -2.0889 -2.0889 -2.0887 -2.0887 -2.0839 -2.0839 -2.0831 -2.0831 -2.0296 -2.0296 k = 0.1429 0.6270 0.2921 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7256 -3.7256 -3.7254 -3.7254 -3.6713 -3.6713 -3.6713 -3.6713 -3.2961 -3.2961 -3.2961 -3.2961 -3.2936 -3.2936 -3.2936 -3.2936 -3.2572 -3.2572 -3.2572 -3.2572 -3.2554 -3.2554 -3.2554 -3.2554 -3.2356 -3.2356 -3.2354 -3.2354 -3.2299 -3.2299 -3.2298 -3.2298 -3.1199 -3.1199 -3.1193 -3.1193 -3.0298 -3.0298 -3.0296 -3.0296 -2.5358 -2.5358 -2.5356 -2.5356 -2.4371 -2.4371 -2.4369 -2.4369 -2.3660 -2.3660 -2.3651 -2.3651 -2.3603 -2.3603 -2.3591 -2.3591 -2.2723 -2.2723 -2.2714 -2.2714 -2.2552 -2.2552 -2.2552 -2.2552 -2.2415 -2.2415 -2.2405 -2.2405 -2.2228 -2.2228 -2.2214 -2.2214 -2.1784 -2.1784 -2.1780 -2.1780 -2.1733 -2.1733 -2.1728 -2.1728 -2.0889 -2.0889 -2.0886 -2.0886 -2.0840 -2.0840 -2.0830 -2.0830 -2.0294 -2.0294 k = 0.1786 0.6270 0.2921 ( 55460 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 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-2.2548 -2.2545 -2.2545 -2.2418 -2.2418 -2.2405 -2.2405 -2.2259 -2.2259 -2.2240 -2.2240 -2.1783 -2.1783 -2.1778 -2.1778 -2.1739 -2.1739 -2.1732 -2.1732 -2.0888 -2.0888 -2.0884 -2.0884 -2.0841 -2.0841 -2.0827 -2.0827 -2.0290 -2.0290 k = 0.2500 0.6270 0.2921 ( 55446 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7218 -3.7218 -3.7216 -3.7216 -3.6742 -3.6742 -3.6741 -3.6741 -3.2959 -3.2959 -3.2959 -3.2959 -3.2938 -3.2938 -3.2938 -3.2938 -3.2570 -3.2570 -3.2569 -3.2569 -3.2556 -3.2556 -3.2555 -3.2555 -3.2349 -3.2349 -3.2347 -3.2347 -3.2300 -3.2300 -3.2300 -3.2300 -3.1146 -3.1146 -3.1136 -3.1136 -3.0370 -3.0370 -3.0367 -3.0367 -2.5263 -2.5263 -2.5258 -2.5258 -2.4482 -2.4482 -2.4478 -2.4478 -2.3657 -2.3657 -2.3647 -2.3647 -2.3605 -2.3605 -2.3590 -2.3590 -2.2716 -2.2716 -2.2696 -2.2696 -2.2547 -2.2547 -2.2541 -2.2541 -2.2420 -2.2420 -2.2405 -2.2405 -2.2278 -2.2278 -2.2255 -2.2255 -2.1783 -2.1783 -2.1777 -2.1777 -2.1742 -2.1742 -2.1735 -2.1735 -2.0887 -2.0887 -2.0883 -2.0883 -2.0841 -2.0841 -2.0826 -2.0826 -2.0287 -2.0286 k = 0.2857 0.6270 0.2921 ( 55432 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 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-2.3592 -2.3592 -2.2710 -2.2710 -2.2681 -2.2681 -2.2544 -2.2544 -2.2529 -2.2529 -2.2422 -2.2422 -2.2404 -2.2404 -2.2316 -2.2316 -2.2287 -2.2287 -2.1780 -2.1780 -2.1774 -2.1774 -2.1749 -2.1749 -2.1740 -2.1740 -2.0886 -2.0886 -2.0881 -2.0881 -2.0842 -2.0842 -2.0825 -2.0825 -2.0279 -2.0278 k = 0.3571 0.6270 0.2921 ( 55448 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7175 -3.7175 -3.7172 -3.7172 -3.6775 -3.6775 -3.6775 -3.6775 -3.2958 -3.2958 -3.2958 -3.2958 -3.2940 -3.2940 -3.2940 -3.2940 -3.2568 -3.2568 -3.2567 -3.2567 -3.2558 -3.2558 -3.2557 -3.2557 -3.2343 -3.2343 -3.2340 -3.2340 -3.2303 -3.2303 -3.2302 -3.2302 -3.1080 -3.1080 -3.1066 -3.1066 -3.0454 -3.0454 -3.0453 -3.0453 -2.5125 -2.5125 -2.5117 -2.5117 -2.4637 -2.4637 -2.4630 -2.4630 -2.3652 -2.3652 -2.3642 -2.3642 -2.3609 -2.3609 -2.3594 -2.3594 -2.2707 -2.2707 -2.2673 -2.2673 -2.2543 -2.2543 -2.2522 -2.2522 -2.2422 -2.2422 -2.2404 -2.2404 -2.2334 -2.2334 -2.2302 -2.2302 -2.1779 -2.1779 -2.1772 -2.1772 -2.1753 -2.1753 -2.1743 -2.1743 -2.0885 -2.0885 -2.0880 -2.0880 -2.0842 -2.0842 -2.0824 -2.0824 -2.0274 -2.0274 k = 0.3929 0.6270 0.2921 ( 55464 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 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0.6270 0.2921 ( 55450 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7154 -3.7154 -3.7150 -3.7150 -3.6793 -3.6793 -3.6793 -3.6793 -3.2957 -3.2957 -3.2957 -3.2957 -3.2941 -3.2941 -3.2941 -3.2941 -3.2566 -3.2566 -3.2565 -3.2565 -3.2560 -3.2560 -3.2558 -3.2558 -3.2339 -3.2339 -3.2336 -3.2336 -3.2305 -3.2305 -3.2303 -3.2303 -3.1044 -3.1044 -3.1027 -3.1027 -3.0499 -3.0499 -3.0499 -3.0499 -2.5021 -2.5021 -2.5005 -2.5005 -2.4755 -2.4755 -2.4740 -2.4740 -2.3649 -2.3649 -2.3638 -2.3638 -2.3612 -2.3612 -2.3596 -2.3596 -2.2702 -2.2702 -2.2661 -2.2661 -2.2543 -2.2543 -2.2509 -2.2509 -2.2421 -2.2421 -2.2402 -2.2402 -2.2366 -2.2366 -2.2326 -2.2326 -2.1775 -2.1775 -2.1769 -2.1769 -2.1760 -2.1760 -2.1748 -2.1748 -2.0883 -2.0883 -2.0879 -2.0879 -2.0843 -2.0843 -2.0824 -2.0824 -2.0264 -2.0263 k = 0.4643 0.6270 0.2921 ( 55462 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7147 -3.7147 -3.7143 -3.7143 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-2.0843 -2.0824 -2.0824 -2.0258 -2.0258 k = 0.5000 0.6270 0.2921 ( 55472 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7145 -3.7145 -3.7141 -3.7141 -3.6800 -3.6800 -3.6800 -3.6800 -3.2957 -3.2957 -3.2957 -3.2957 -3.2942 -3.2942 -3.2941 -3.2941 -3.2566 -3.2566 -3.2563 -3.2563 -3.2562 -3.2562 -3.2558 -3.2558 -3.2338 -3.2338 -3.2335 -3.2335 -3.2305 -3.2305 -3.2304 -3.2304 -3.1029 -3.1029 -3.1011 -3.1011 -3.0517 -3.0517 -3.0516 -3.0516 -2.4950 -2.4950 -2.4907 -2.4907 -2.4855 -2.4855 -2.4813 -2.4813 -2.3647 -2.3647 -2.3637 -2.3637 -2.3613 -2.3613 -2.3598 -2.3598 -2.2700 -2.2700 -2.2655 -2.2655 -2.2544 -2.2544 -2.2503 -2.2503 -2.2421 -2.2421 -2.2400 -2.2400 -2.2381 -2.2381 -2.2336 -2.2336 -2.1772 -2.1772 -2.1767 -2.1767 -2.1764 -2.1764 -2.1750 -2.1750 -2.0883 -2.0883 -2.0878 -2.0878 -2.0843 -2.0843 -2.0824 -2.0824 -2.0258 -2.0258 k = 0.5000 0.6414 0.2613 ( 55466 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 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-2.1749 -2.0884 -2.0884 -2.0879 -2.0879 -2.0844 -2.0844 -2.0825 -2.0825 -2.0283 -2.0283 k = 0.5000 0.6702 0.1996 ( 55460 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7141 -3.7141 -3.7137 -3.7137 -3.6815 -3.6815 -3.6815 -3.6815 -3.2958 -3.2958 -3.2957 -3.2957 -3.2940 -3.2940 -3.2940 -3.2940 -3.2567 -3.2567 -3.2565 -3.2565 -3.2560 -3.2560 -3.2557 -3.2557 -3.2338 -3.2338 -3.2334 -3.2334 -3.2306 -3.2306 -3.2305 -3.2305 -3.1019 -3.1019 -3.1001 -3.1001 -3.0534 -3.0534 -3.0534 -3.0534 -2.5135 -2.5135 -2.5098 -2.5098 -2.4650 -2.4650 -2.4605 -2.4605 -2.3655 -2.3655 -2.3626 -2.3626 -2.3622 -2.3622 -2.3580 -2.3580 -2.2697 -2.2697 -2.2656 -2.2656 -2.2546 -2.2546 -2.2506 -2.2506 -2.2425 -2.2425 -2.2395 -2.2395 -2.2392 -2.2392 -2.2323 -2.2323 -2.1774 -2.1774 -2.1773 -2.1773 -2.1758 -2.1758 -2.1748 -2.1748 -2.0886 -2.0886 -2.0881 -2.0881 -2.0845 -2.0845 -2.0827 -2.0827 -2.0296 -2.0296 k = 0.5000 0.6845 0.1688 ( 55458 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 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-2.1777 -2.1777 -2.1777 -2.1777 -2.1753 -2.1753 -2.1745 -2.1745 -2.0892 -2.0892 -2.0885 -2.0885 -2.0847 -2.0847 -2.0831 -2.0831 -2.0312 -2.0311 k = 0.5000 0.7133 0.1071 ( 55448 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7127 -3.7127 -3.7124 -3.7124 -3.6861 -3.6861 -3.6861 -3.6861 -3.2960 -3.2960 -3.2959 -3.2959 -3.2938 -3.2938 -3.2937 -3.2937 -3.2570 -3.2570 -3.2568 -3.2568 -3.2557 -3.2557 -3.2554 -3.2554 -3.2336 -3.2336 -3.2334 -3.2334 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-2.2435 -2.2424 -2.2424 -2.2366 -2.2366 -2.2301 -2.2301 -2.1781 -2.1781 -2.1780 -2.1780 -2.1748 -2.1748 -2.1741 -2.1741 -2.0899 -2.0899 -2.0892 -2.0892 -2.0850 -2.0850 -2.0836 -2.0836 -2.0311 -2.0311 k = 0.5000 0.7165 0.0438 ( 55438 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7103 -3.7103 -3.7099 -3.7099 -3.6888 -3.6888 -3.6887 -3.6887 -3.2961 -3.2961 -3.2961 -3.2961 -3.2936 -3.2936 -3.2935 -3.2935 -3.2571 -3.2571 -3.2570 -3.2570 -3.2555 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-2.2657 -2.2657 -2.2571 -2.2571 -2.2532 -2.2532 -2.2446 -2.2446 -2.2439 -2.2439 -2.2338 -2.2338 -2.2286 -2.2286 -2.1788 -2.1788 -2.1787 -2.1787 -2.1740 -2.1740 -2.1735 -2.1735 -2.0897 -2.0897 -2.0891 -2.0891 -2.0837 -2.0837 -2.0827 -2.0827 -2.0367 -2.0367 k = 0.5000 0.6829-0.0536 ( 55438 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7053 -3.7053 -3.7050 -3.7050 -3.6906 -3.6906 -3.6905 -3.6905 -3.2964 -3.2964 -3.2963 -3.2963 -3.2935 -3.2935 -3.2934 -3.2934 -3.2572 -3.2572 -3.2572 -3.2572 -3.2553 -3.2553 -3.2551 -3.2551 -3.2335 -3.2335 -3.2333 -3.2333 -3.2308 -3.2308 -3.2308 -3.2308 -3.0982 -3.0982 -3.0975 -3.0975 -3.0585 -3.0585 -3.0582 -3.0582 -2.5514 -2.5514 -2.5498 -2.5498 -2.4247 -2.4247 -2.4222 -2.4222 -2.3664 -2.3664 -2.3654 -2.3654 -2.3560 -2.3560 -2.3534 -2.3534 -2.2666 -2.2666 -2.2657 -2.2657 -2.2573 -2.2573 -2.2537 -2.2537 -2.2448 -2.2448 -2.2443 -2.2443 -2.2328 -2.2328 -2.2283 -2.2283 -2.1789 -2.1789 -2.1789 -2.1789 -2.1738 -2.1738 -2.1734 -2.1734 -2.0897 -2.0897 -2.0892 -2.0892 -2.0833 -2.0833 -2.0825 -2.0825 -2.0381 -2.0381 k = 0.5000 0.6718-0.0861 ( 55454 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 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(ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7027 -3.7027 -3.7025 -3.7025 -3.6919 -3.6919 -3.6918 -3.6918 -3.2965 -3.2965 -3.2964 -3.2964 -3.2935 -3.2935 -3.2934 -3.2934 -3.2573 -3.2573 -3.2573 -3.2573 -3.2552 -3.2552 -3.2551 -3.2551 -3.2335 -3.2335 -3.2334 -3.2334 -3.2308 -3.2308 -3.2308 -3.2308 -3.0987 -3.0987 -3.0983 -3.0983 -3.0575 -3.0575 -3.0573 -3.0573 -2.5564 -2.5564 -2.5554 -2.5554 -2.4211 -2.4211 -2.4195 -2.4195 -2.3665 -2.3665 -2.3659 -2.3659 -2.3548 -2.3548 -2.3532 -2.3532 -2.2659 -2.2659 -2.2656 -2.2656 -2.2574 -2.2574 -2.2549 -2.2549 -2.2451 -2.2451 -2.2448 -2.2448 -2.2311 -2.2311 -2.2283 -2.2283 -2.1792 -2.1792 -2.1791 -2.1791 -2.1734 -2.1734 -2.1732 -2.1732 -2.0897 -2.0897 -2.0894 -2.0894 -2.0826 -2.0826 -2.0820 -2.0820 -2.0403 -2.0403 k = 0.5000 0.6494-0.1510 ( 55438 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7018 -3.7018 -3.7016 -3.7016 -3.6924 -3.6924 -3.6923 -3.6923 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-2.0414 k = 0.5000 0.6270-0.2159 ( 55440 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7009 -3.7009 -3.7009 -3.7009 -3.6929 -3.6929 -3.6929 -3.6929 -3.2965 -3.2965 -3.2965 -3.2965 -3.2934 -3.2934 -3.2934 -3.2934 -3.2573 -3.2573 -3.2573 -3.2573 -3.2551 -3.2551 -3.2551 -3.2551 -3.2334 -3.2334 -3.2334 -3.2334 -3.2308 -3.2308 -3.2308 -3.2308 -3.0989 -3.0989 -3.0989 -3.0989 -3.0567 -3.0567 -3.0567 -3.0567 -2.5590 -2.5590 -2.5590 -2.5590 -2.4185 -2.4185 -2.4185 -2.4185 -2.3663 -2.3663 -2.3663 -2.3663 -2.3535 -2.3535 -2.3535 -2.3535 -2.2655 -2.2655 -2.2655 -2.2655 -2.2566 -2.2566 -2.2566 -2.2566 -2.2452 -2.2452 -2.2452 -2.2452 -2.2291 -2.2291 -2.2291 -2.2291 -2.1793 -2.1793 -2.1793 -2.1793 -2.1731 -2.1731 -2.1731 -2.1731 -2.0896 -2.0896 -2.0896 -2.0896 -2.0819 -2.0819 -2.0819 -2.0819 -2.0415 -2.0415 k = 0.5000 0.6270-0.2159 ( 55440 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7009 -3.7009 -3.7009 -3.7009 -3.6929 -3.6929 -3.6929 -3.6929 -3.2965 -3.2965 -3.2965 -3.2965 -3.2934 -3.2934 -3.2934 -3.2934 -3.2573 -3.2573 -3.2573 -3.2573 -3.2551 -3.2551 -3.2551 -3.2551 -3.2334 -3.2334 -3.2334 -3.2334 -3.2308 -3.2308 -3.2308 -3.2308 -3.0989 -3.0989 -3.0989 -3.0989 -3.0567 -3.0567 -3.0567 -3.0567 -2.5590 -2.5590 -2.5590 -2.5590 -2.4185 -2.4185 -2.4185 -2.4185 -2.3663 -2.3663 -2.3663 -2.3663 -2.3535 -2.3535 -2.3535 -2.3535 -2.2655 -2.2655 -2.2655 -2.2655 -2.2566 -2.2566 -2.2566 -2.2566 -2.2452 -2.2452 -2.2452 -2.2452 -2.2291 -2.2291 -2.2291 -2.2291 -2.1793 -2.1793 -2.1793 -2.1793 -2.1731 -2.1731 -2.1731 -2.1731 -2.0896 -2.0896 -2.0896 -2.0896 -2.0819 -2.0819 -2.0819 -2.0819 -2.0415 -2.0415 k = 0.4643 0.6270-0.2159 ( 55424 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7038 -3.7038 -3.6980 -3.6980 -3.6951 -3.6951 -3.6906 -3.6906 -3.2967 -3.2967 -3.2963 -3.2963 -3.2935 -3.2935 -3.2934 -3.2934 -3.2575 -3.2575 -3.2571 -3.2571 -3.2551 -3.2551 -3.2550 -3.2550 -3.2337 -3.2337 -3.2331 -3.2331 -3.2311 -3.2311 -3.2305 -3.2305 -3.1045 -3.1045 -3.0932 -3.0932 -3.0598 -3.0598 -3.0536 -3.0536 -2.5687 -2.5687 -2.5490 -2.5490 -2.4212 -2.4212 -2.4160 -2.4160 -2.3664 -2.3664 -2.3662 -2.3662 -2.3540 -2.3540 -2.3531 -2.3531 -2.2667 -2.2667 -2.2645 -2.2645 -2.2581 -2.2581 -2.2550 -2.2550 -2.2462 -2.2462 -2.2438 -2.2438 -2.2306 -2.2306 -2.2277 -2.2277 -2.1797 -2.1797 -2.1789 -2.1789 -2.1732 -2.1732 -2.1731 -2.1731 -2.0897 -2.0897 -2.0895 -2.0895 -2.0825 -2.0825 -2.0814 -2.0814 -2.0432 -2.0432 k = 0.4286 0.6270-0.2159 ( 55432 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7067 -3.7067 -3.6974 -3.6974 -3.6952 -3.6952 -3.6885 -3.6885 -3.2969 -3.2969 -3.2961 -3.2961 -3.2936 -3.2936 -3.2933 -3.2933 -3.2576 -3.2576 -3.2570 -3.2570 -3.2552 -3.2552 -3.2550 -3.2550 -3.2341 -3.2341 -3.2328 -3.2328 -3.2315 -3.2315 -3.2302 -3.2302 -3.1099 -3.1099 -3.0874 -3.0874 -3.0629 -3.0629 -3.0505 -3.0505 -2.5779 -2.5779 -2.5386 -2.5386 -2.4239 -2.4239 -2.4136 -2.4136 -2.3665 -2.3665 -2.3662 -2.3662 -2.3546 -2.3546 -2.3528 -2.3528 -2.2679 -2.2679 -2.2636 -2.2636 -2.2596 -2.2596 -2.2537 -2.2537 -2.2467 -2.2467 -2.2422 -2.2422 -2.2321 -2.2321 -2.2264 -2.2264 -2.1801 -2.1801 -2.1785 -2.1785 -2.1732 -2.1732 -2.1730 -2.1730 -2.0897 -2.0897 -2.0894 -2.0894 -2.0830 -2.0830 -2.0808 -2.0808 -2.0447 -2.0447 k = 0.3929 0.6270-0.2159 ( 55438 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7096 -3.7096 -3.6996 -3.6996 -3.6925 -3.6925 -3.6864 -3.6864 -3.2972 -3.2972 -3.2958 -3.2958 -3.2936 -3.2936 -3.2932 -3.2932 -3.2578 -3.2578 -3.2568 -3.2568 -3.2553 -3.2553 -3.2549 -3.2549 -3.2344 -3.2344 -3.2325 -3.2325 -3.2318 -3.2318 -3.2299 -3.2299 -3.1151 -3.1151 -3.0816 -3.0816 -3.0659 -3.0659 -3.0475 -3.0475 -2.5865 -2.5865 -2.5281 -2.5281 -2.4267 -2.4267 -2.4116 -2.4116 -2.3666 -2.3666 -2.3662 -2.3662 -2.3553 -2.3553 -2.3526 -2.3526 -2.2690 -2.2690 -2.2632 -2.2632 -2.2605 -2.2605 -2.2529 -2.2529 -2.2464 -2.2464 -2.2404 -2.2404 -2.2336 -2.2336 -2.2251 -2.2251 -2.1804 -2.1804 -2.1781 -2.1781 -2.1732 -2.1732 -2.1730 -2.1730 -2.0898 -2.0898 -2.0894 -2.0894 -2.0836 -2.0836 -2.0803 -2.0803 -2.0461 -2.0461 k = 0.3571 0.6270-0.2159 ( 55442 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 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-2.1776 -2.1731 -2.1731 -2.1729 -2.1729 -2.0899 -2.0899 -2.0893 -2.0893 -2.0841 -2.0841 -2.0799 -2.0799 -2.0474 -2.0474 k = 0.3214 0.6270-0.2159 ( 55428 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7152 -3.7152 -3.7039 -3.7039 -3.6875 -3.6875 -3.6826 -3.6826 -3.2975 -3.2975 -3.2954 -3.2954 -3.2937 -3.2937 -3.2932 -3.2932 -3.2581 -3.2581 -3.2565 -3.2565 -3.2554 -3.2554 -3.2549 -3.2549 -3.2351 -3.2351 -3.2328 -3.2328 -3.2317 -3.2317 -3.2295 -3.2295 -3.1244 -3.1244 -3.0724 -3.0724 -3.0695 -3.0695 -3.0421 -3.0421 -2.6020 -2.6020 -2.5069 -2.5069 -2.4321 -2.4321 -2.4085 -2.4085 -2.3668 -2.3668 -2.3663 -2.3663 -2.3567 -2.3567 -2.3526 -2.3526 -2.2712 -2.2712 -2.2648 -2.2648 -2.2599 -2.2599 -2.2528 -2.2528 -2.2439 -2.2439 -2.2367 -2.2367 -2.2364 -2.2364 -2.2227 -2.2227 -2.1810 -2.1810 -2.1772 -2.1772 -2.1731 -2.1731 -2.1728 -2.1728 -2.0899 -2.0899 -2.0892 -2.0892 -2.0847 -2.0847 -2.0794 -2.0794 -2.0485 -2.0485 k = 0.2857 0.6270-0.2159 ( 55424 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 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-2.2325 -2.2325 -2.2208 -2.2208 -2.1814 -2.1814 -2.1763 -2.1763 -2.1729 -2.1729 -2.1726 -2.1726 -2.0900 -2.0900 -2.0891 -2.0891 -2.0856 -2.0856 -2.0787 -2.0787 -2.0503 -2.0503 k = 0.2143 0.6270-0.2159 ( 55438 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7222 -3.7222 -3.7093 -3.7093 -3.6815 -3.6815 -3.6781 -3.6781 -3.2980 -3.2980 -3.2948 -3.2948 -3.2939 -3.2939 -3.2931 -3.2931 -3.2584 -3.2584 -3.2561 -3.2561 -3.2556 -3.2556 -3.2549 -3.2549 -3.2360 -3.2360 -3.2339 -3.2339 -3.2310 -3.2310 -3.2293 -3.2293 -3.1354 -3.1354 -3.0785 -3.0785 -3.0554 -3.0554 -3.0360 -3.0360 -2.6198 -2.6198 -2.4762 -2.4762 -2.4390 -2.4390 -2.4079 -2.4079 -2.3670 -2.3670 -2.3664 -2.3664 -2.3586 -2.3586 -2.3536 -2.3536 -2.2737 -2.2737 -2.2679 -2.2679 -2.2579 -2.2579 -2.2532 -2.2532 -2.2421 -2.2421 -2.2377 -2.2377 -2.2306 -2.2306 -2.2200 -2.2200 -2.1816 -2.1816 -2.1758 -2.1758 -2.1729 -2.1729 -2.1725 -2.1725 -2.0901 -2.0901 -2.0890 -2.0890 -2.0861 -2.0861 -2.0785 -2.0785 -2.0510 -2.0510 k = 0.1786 0.6270-0.2159 ( 55468 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 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-87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7257 -3.7257 -3.7120 -3.7120 -3.6787 -3.6787 -3.6761 -3.6761 -3.2982 -3.2982 -3.2945 -3.2945 -3.2939 -3.2939 -3.2931 -3.2931 -3.2586 -3.2586 -3.2559 -3.2559 -3.2556 -3.2556 -3.2550 -3.2550 -3.2365 -3.2365 -3.2345 -3.2345 -3.2305 -3.2305 -3.2293 -3.2293 -3.1404 -3.1404 -3.0817 -3.0817 -3.0478 -3.0478 -3.0335 -3.0335 -2.6278 -2.6278 -2.4576 -2.4576 -2.4424 -2.4424 -2.4111 -2.4111 -2.3672 -2.3672 -2.3662 -2.3662 -2.3595 -2.3595 -2.3546 -2.3546 -2.2749 -2.2749 -2.2694 -2.2694 -2.2567 -2.2567 -2.2531 -2.2531 -2.2446 -2.2446 -2.2352 -2.2352 -2.2274 -2.2274 -2.2189 -2.2189 -2.1819 -2.1819 -2.1751 -2.1751 -2.1729 -2.1729 -2.1723 -2.1723 -2.0901 -2.0901 -2.0888 -2.0888 -2.0868 -2.0868 -2.0781 -2.0781 -2.0521 -2.0521 k = 0.1071 0.6270-0.2159 ( 55464 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7269 -3.7269 -3.7129 -3.7129 -3.6777 -3.6777 -3.6754 -3.6754 -3.2983 -3.2983 -3.2944 -3.2944 -3.2940 -3.2940 -3.2931 -3.2931 -3.2587 -3.2587 -3.2558 -3.2558 -3.2556 -3.2556 -3.2550 -3.2550 -3.2367 -3.2367 -3.2347 -3.2347 -3.2303 -3.2303 -3.2293 -3.2293 -3.1422 -3.1422 -3.0828 -3.0828 -3.0449 -3.0449 -3.0328 -3.0328 -2.6306 -2.6306 -2.4492 -2.4492 -2.4436 -2.4436 -2.4140 -2.4140 -2.3673 -2.3673 -2.3660 -2.3660 -2.3598 -2.3598 -2.3551 -2.3551 -2.2752 -2.2752 -2.2699 -2.2699 -2.2563 -2.2563 -2.2529 -2.2529 -2.2458 -2.2458 -2.2342 -2.2342 -2.2261 -2.2261 -2.2185 -2.2185 -2.1819 -2.1819 -2.1747 -2.1747 -2.1729 -2.1729 -2.1723 -2.1723 -2.0902 -2.0902 -2.0887 -2.0887 -2.0872 -2.0872 -2.0780 -2.0780 -2.0524 -2.0524 k = 0.0714 0.6270-0.2159 ( 55480 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 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0.6382-0.1834 ( 55479 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7285 -3.7285 -3.7145 -3.7145 -3.6763 -3.6763 -3.6745 -3.6745 -3.2984 -3.2984 -3.2942 -3.2942 -3.2940 -3.2940 -3.2931 -3.2931 -3.2588 -3.2588 -3.2558 -3.2558 -3.2555 -3.2555 -3.2551 -3.2551 -3.2369 -3.2369 -3.2350 -3.2350 -3.2298 -3.2298 -3.2296 -3.2296 -3.1443 -3.1443 -3.0847 -3.0847 -3.0407 -3.0407 -3.0320 -3.0320 -2.6337 -2.6337 -2.4456 -2.4456 -2.4291 -2.4291 -2.4266 -2.4266 -2.3675 -2.3675 -2.3657 -2.3657 -2.3603 -2.3603 -2.3559 -2.3559 -2.2757 -2.2757 -2.2705 -2.2705 -2.2559 -2.2559 -2.2518 -2.2518 -2.2480 -2.2480 -2.2329 -2.2329 -2.2242 -2.2242 -2.2182 -2.2182 -2.1820 -2.1820 -2.1741 -2.1741 -2.1731 -2.1731 -2.1722 -2.1722 -2.0902 -2.0902 -2.0882 -2.0882 -2.0879 -2.0879 -2.0779 -2.0779 -2.0527 -2.0527 k = 0.0000 0.6494-0.1510 ( 55490 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7283 -3.7283 -3.7152 -3.7152 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-2.0877 -2.0787 -2.0787 -2.0512 -2.0512 k = 0.0000 0.6718-0.0861 ( 55484 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -3.7276 -3.7276 -3.7181 -3.7181 -3.6757 -3.6757 -3.6747 -3.6747 -3.2982 -3.2982 -3.2944 -3.2944 -3.2939 -3.2939 -3.2931 -3.2931 -3.2586 -3.2586 -3.2559 -3.2559 -3.2555 -3.2555 -3.2551 -3.2551 -3.2368 -3.2368 -3.2351 -3.2351 -3.2301 -3.2301 -3.2295 -3.2295 -3.1416 -3.1416 -3.0908 -3.0908 -3.0401 -3.0401 -3.0298 -3.0298 -2.6273 -2.6273 -2.4495 -2.4495 -2.4293 -2.4293 -2.4256 -2.4256 -2.3675 -2.3675 -2.3653 -2.3653 -2.3601 -2.3601 -2.3567 -2.3567 -2.2753 -2.2753 -2.2707 -2.2707 -2.2566 -2.2566 -2.2513 -2.2513 -2.2483 -2.2483 -2.2335 -2.2335 -2.2235 -2.2235 -2.2181 -2.2181 -2.1817 -2.1817 -2.1743 -2.1743 -2.1732 -2.1732 -2.1723 -2.1723 -2.0904 -2.0904 -2.0883 -2.0883 -2.0876 -2.0876 -2.0793 -2.0793 -2.0500 -2.0500 k = 0.0000 0.6829-0.0536 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 -43.5575 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-2.1723 -2.0906 -2.0906 -2.0885 -2.0885 -2.0872 -2.0872 -2.0807 -2.0807 -2.0467 -2.0467 k = 0.0000 0.7053 0.0113 ( 55478 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7259 -3.7259 -3.7253 -3.7253 -3.6753 -3.6753 -3.6751 -3.6751 -3.2979 -3.2979 -3.2945 -3.2945 -3.2938 -3.2938 -3.2931 -3.2931 -3.2584 -3.2584 -3.2561 -3.2561 -3.2555 -3.2555 -3.2551 -3.2551 -3.2366 -3.2366 -3.2352 -3.2352 -3.2302 -3.2302 -3.2294 -3.2294 -3.1359 -3.1359 -3.1019 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-2.1805 -2.1805 -2.1759 -2.1759 -2.1729 -2.1729 -2.1724 -2.1724 -2.0909 -2.0909 -2.0891 -2.0891 -2.0864 -2.0864 -2.0829 -2.0829 -2.0402 -2.0402 k = 0.5000 0.5265 0.5080 ( 55450 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7121 -3.7121 -3.7118 -3.7118 -3.6883 -3.6883 -3.6882 -3.6882 -3.2960 -3.2960 -3.2960 -3.2960 -3.2936 -3.2936 -3.2935 -3.2935 -3.2570 -3.2570 -3.2569 -3.2569 -3.2555 -3.2555 -3.2553 -3.2553 -3.2336 -3.2336 -3.2333 -3.2333 -3.2308 -3.2308 -3.2307 -3.2307 -3.0984 -3.0984 -3.0970 -3.0970 -3.0599 -3.0599 -3.0597 -3.0597 -2.5338 -2.5338 -2.5312 -2.5312 -2.4357 -2.4357 -2.4318 -2.4318 -2.3661 -2.3661 -2.3644 -2.3644 -2.3585 -2.3585 -2.3548 -2.3548 -2.2683 -2.2683 -2.2656 -2.2656 -2.2560 -2.2560 -2.2519 -2.2519 -2.2435 -2.2435 -2.2424 -2.2424 -2.2366 -2.2366 -2.2301 -2.2301 -2.1781 -2.1781 -2.1780 -2.1780 -2.1748 -2.1748 -2.1741 -2.1741 -2.0899 -2.0899 -2.0892 -2.0892 -2.0850 -2.0850 -2.0836 -2.0836 -2.0311 -2.0311 k = 0.5000 0.4914 0.5080 ( 55448 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 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-87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7168 -3.7168 -3.7165 -3.7165 -3.6948 -3.6948 -3.6947 -3.6947 -3.2958 -3.2958 -3.2958 -3.2958 -3.2934 -3.2934 -3.2932 -3.2932 -3.2570 -3.2570 -3.2569 -3.2569 -3.2554 -3.2554 -3.2553 -3.2553 -3.2335 -3.2335 -3.2333 -3.2333 -3.2309 -3.2309 -3.2309 -3.2309 -3.0977 -3.0977 -3.0964 -3.0964 -3.0652 -3.0652 -3.0651 -3.0651 -2.5248 -2.5248 -2.5225 -2.5225 -2.4255 -2.4255 -2.4220 -2.4220 -2.3656 -2.3656 -2.3643 -2.3643 -2.3572 -2.3572 -2.3539 -2.3539 -2.2680 -2.2680 -2.2655 -2.2655 -2.2563 -2.2563 -2.2525 -2.2525 -2.2430 -2.2430 -2.2423 -2.2423 -2.2367 -2.2367 -2.2307 -2.2307 -2.1779 -2.1779 -2.1778 -2.1778 -2.1750 -2.1750 -2.1742 -2.1742 -2.0912 -2.0912 -2.0906 -2.0906 -2.0860 -2.0860 -2.0848 -2.0848 -2.0220 -2.0220 k = 0.5000 0.4212 0.5080 ( 55424 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7200 -3.7200 -3.7196 -3.7196 -3.6988 -3.6988 -3.6987 -3.6987 -3.2958 -3.2958 -3.2957 -3.2957 -3.2932 -3.2932 -3.2931 -3.2931 -3.2570 -3.2570 -3.2569 -3.2569 -3.2554 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(ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7378 -3.7378 -3.7376 -3.7376 -3.7226 -3.7226 -3.7226 -3.7226 -3.2954 -3.2954 -3.2953 -3.2953 -3.2926 -3.2926 -3.2924 -3.2924 -3.2569 -3.2569 -3.2568 -3.2568 -3.2550 -3.2550 -3.2550 -3.2550 -3.2333 -3.2333 -3.2332 -3.2332 -3.2312 -3.2312 -3.2311 -3.2311 -3.1000 -3.1000 -3.0990 -3.0990 -3.0804 -3.0804 -3.0804 -3.0804 -2.4775 -2.4775 -2.4763 -2.4763 -2.3964 -2.3964 -2.3953 -2.3953 -2.3616 -2.3616 -2.3612 -2.3612 -2.3527 -2.3527 -2.3520 -2.3520 -2.2671 -2.2671 -2.2658 -2.2658 -2.2577 -2.2577 -2.2550 -2.2550 -2.2411 -2.2411 -2.2406 -2.2406 -2.2364 -2.2364 -2.2329 -2.2329 -2.1776 -2.1776 -2.1776 -2.1776 -2.1758 -2.1758 -2.1750 -2.1750 -2.0929 -2.0929 -2.0925 -2.0925 -2.0859 -2.0859 -2.0858 -2.0858 -1.9729 -1.9729 k = 0.5000 0.2106 0.5080 ( 55458 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7409 -3.7409 -3.7406 -3.7406 -3.7272 -3.7272 -3.7272 -3.7272 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-2.0907 -2.0907 -2.0862 -2.0862 -2.0853 -2.0853 -1.9295 -1.9295 k = 0.5000 0.0351 0.5080 ( 55470 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7485 -3.7485 -3.7483 -3.7483 -3.7427 -3.7427 -3.7427 -3.7427 -3.2953 -3.2953 -3.2951 -3.2951 -3.2923 -3.2923 -3.2922 -3.2922 -3.2568 -3.2568 -3.2567 -3.2567 -3.2548 -3.2548 -3.2548 -3.2548 -3.2331 -3.2331 -3.2330 -3.2330 -3.2314 -3.2314 -3.2313 -3.2313 -3.1020 -3.1020 -3.1011 -3.1011 -3.0875 -3.0875 -3.0874 -3.0874 -2.4493 -2.4493 -2.4490 -2.4490 -2.3859 -2.3859 -2.3846 -2.3846 -2.3561 -2.3561 -2.3560 -2.3560 -2.3519 -2.3519 -2.3497 -2.3497 -2.2660 -2.2660 -2.2658 -2.2658 -2.2600 -2.2600 -2.2570 -2.2570 -2.2385 -2.2385 -2.2384 -2.2384 -2.2365 -2.2365 -2.2349 -2.2349 -2.1777 -2.1777 -2.1776 -2.1776 -2.1766 -2.1766 -2.1757 -2.1757 -2.0909 -2.0909 -2.0904 -2.0904 -2.0863 -2.0863 -2.0853 -2.0853 -1.9253 -1.9253 k = 0.5000-0.0000 0.5080 ( 55480 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 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-2.1776 -2.1766 -2.1766 -2.1757 -2.1757 -2.0908 -2.0908 -2.0903 -2.0903 -2.0863 -2.0863 -2.0853 -2.0853 -1.9239 -1.9239 k = 0.5000-0.0000 0.4718 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7504 -3.7504 -3.7502 -3.7502 -3.7416 -3.7416 -3.7415 -3.7415 -3.2953 -3.2953 -3.2950 -3.2950 -3.2923 -3.2923 -3.2922 -3.2922 -3.2568 -3.2568 -3.2567 -3.2567 -3.2549 -3.2549 -3.2548 -3.2548 -3.2331 -3.2331 -3.2331 -3.2331 -3.2314 -3.2314 -3.2312 -3.2312 -3.1032 -3.1032 -3.1023 -3.1023 -3.0864 -3.0864 -3.0864 -3.0864 -2.4485 -2.4485 -2.4482 -2.4482 -2.3859 -2.3859 -2.3846 -2.3846 -2.3559 -2.3559 -2.3559 -2.3559 -2.3520 -2.3520 -2.3496 -2.3496 -2.2661 -2.2661 -2.2661 -2.2661 -2.2597 -2.2597 -2.2570 -2.2570 -2.2388 -2.2388 -2.2385 -2.2385 -2.2361 -2.2361 -2.2349 -2.2349 -2.1777 -2.1777 -2.1777 -2.1777 -2.1765 -2.1765 -2.1756 -2.1756 -2.0908 -2.0908 -2.0903 -2.0903 -2.0863 -2.0863 -2.0853 -2.0853 -1.9240 -1.9240 k = 0.5000-0.0000 0.4355 ( 55502 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 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-2.2343 -2.2343 -2.2342 -2.2342 -2.1781 -2.1781 -2.1781 -2.1781 -2.1760 -2.1760 -2.1753 -2.1753 -2.0909 -2.0909 -2.0904 -2.0904 -2.0863 -2.0863 -2.0853 -2.0853 -1.9246 -1.9246 k = 0.5000-0.0000 0.3629 ( 55448 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7599 -3.7599 -3.7597 -3.7597 -3.7323 -3.7323 -3.7322 -3.7322 -3.2952 -3.2952 -3.2949 -3.2949 -3.2924 -3.2924 -3.2923 -3.2923 -3.2567 -3.2567 -3.2566 -3.2566 -3.2549 -3.2549 -3.2549 -3.2549 -3.2334 -3.2334 -3.2334 -3.2334 -3.2309 -3.2309 -3.2308 -3.2308 -3.1123 -3.1123 -3.1117 -3.1117 -3.0761 -3.0761 -3.0761 -3.0761 -2.4458 -2.4458 -2.4458 -2.4458 -2.3878 -2.3878 -2.3869 -2.3869 -2.3567 -2.3567 -2.3565 -2.3565 -2.3521 -2.3521 -2.3496 -2.3496 -2.2687 -2.2687 -2.2674 -2.2674 -2.2563 -2.2563 -2.2555 -2.2555 -2.2414 -2.2414 -2.2398 -2.2398 -2.2339 -2.2339 -2.2333 -2.2333 -2.1783 -2.1783 -2.1783 -2.1783 -2.1758 -2.1758 -2.1750 -2.1750 -2.0910 -2.0910 -2.0905 -2.0905 -2.0863 -2.0863 -2.0853 -2.0853 -1.9251 -1.9251 k = 0.5000-0.0000 0.3266 ( 55468 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7629 -3.7629 -3.7628 -3.7628 -3.7293 -3.7293 -3.7293 -3.7293 -3.2951 -3.2951 -3.2949 -3.2949 -3.2924 -3.2924 -3.2924 -3.2924 -3.2567 -3.2567 -3.2566 -3.2566 -3.2550 -3.2550 -3.2549 -3.2549 -3.2336 -3.2336 -3.2336 -3.2336 -3.2307 -3.2307 -3.2306 -3.2306 -3.1156 -3.1156 -3.1149 -3.1149 -3.0723 -3.0723 -3.0723 -3.0723 -2.4444 -2.4444 -2.4442 -2.4442 -2.3890 -2.3890 -2.3884 -2.3884 -2.3570 -2.3570 -2.3568 -2.3568 -2.3521 -2.3521 -2.3497 -2.3497 -2.2696 -2.2696 -2.2681 -2.2681 -2.2550 -2.2550 -2.2548 -2.2548 -2.2422 -2.2422 -2.2403 -2.2403 -2.2335 -2.2335 -2.2324 -2.2324 -2.1786 -2.1786 -2.1786 -2.1786 -2.1755 -2.1755 -2.1748 -2.1748 -2.0910 -2.0910 -2.0906 -2.0906 -2.0862 -2.0862 -2.0853 -2.0853 -1.9257 -1.9257 k = 0.5000-0.0000 0.2903 ( 55470 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7658 -3.7658 -3.7657 -3.7657 -3.7266 -3.7266 -3.7265 -3.7265 -3.2950 -3.2950 -3.2948 -3.2948 -3.2925 -3.2925 -3.2924 -3.2924 -3.2566 -3.2566 -3.2565 -3.2565 -3.2550 -3.2550 -3.2550 -3.2550 -3.2337 -3.2337 -3.2337 -3.2337 -3.2305 -3.2305 -3.2304 -3.2304 -3.1186 -3.1186 -3.1180 -3.1180 -3.0687 -3.0687 -3.0687 -3.0687 -2.4427 -2.4427 -2.4423 -2.4423 -2.3904 -2.3904 -2.3901 -2.3901 -2.3574 -2.3574 -2.3570 -2.3570 -2.3521 -2.3521 -2.3498 -2.3498 -2.2704 -2.2704 -2.2687 -2.2687 -2.2541 -2.2541 -2.2537 -2.2537 -2.2428 -2.2428 -2.2409 -2.2409 -2.2331 -2.2331 -2.2316 -2.2316 -2.1788 -2.1788 -2.1788 -2.1788 -2.1752 -2.1752 -2.1745 -2.1745 -2.0911 -2.0911 -2.0907 -2.0907 -2.0862 -2.0862 -2.0853 -2.0853 -1.9263 -1.9263 k = 0.5000-0.0000 0.2540 ( 55464 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7684 -3.7684 -3.7683 -3.7683 -3.7241 -3.7241 -3.7240 -3.7240 -3.2950 -3.2950 -3.2947 -3.2947 -3.2925 -3.2925 -3.2925 -3.2925 -3.2566 -3.2566 -3.2565 -3.2565 -3.2551 -3.2551 -3.2550 -3.2550 -3.2338 -3.2338 -3.2338 -3.2338 -3.2303 -3.2303 -3.2302 -3.2302 -3.1213 -3.1213 -3.1208 -3.1208 -3.0653 -3.0653 -3.0653 -3.0653 -2.4408 -2.4408 -2.4402 -2.4402 -2.3921 -2.3921 -2.3921 -2.3921 -2.3576 -2.3576 -2.3572 -2.3572 -2.3522 -2.3522 -2.3500 -2.3500 -2.2711 -2.2711 -2.2694 -2.2694 -2.2534 -2.2534 -2.2526 -2.2526 -2.2434 -2.2434 -2.2415 -2.2415 -2.2326 -2.2326 -2.2309 -2.2309 -2.1790 -2.1790 -2.1790 -2.1790 -2.1750 -2.1750 -2.1743 -2.1743 -2.0912 -2.0912 -2.0908 -2.0908 -2.0862 -2.0862 -2.0853 -2.0853 -1.9269 -1.9269 k = 0.5000-0.0000 0.2177 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 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-87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7729 -3.7729 -3.7728 -3.7728 -3.7199 -3.7199 -3.7198 -3.7198 -3.2948 -3.2948 -3.2946 -3.2946 -3.2927 -3.2927 -3.2927 -3.2927 -3.2564 -3.2564 -3.2563 -3.2563 -3.2553 -3.2553 -3.2552 -3.2552 -3.2340 -3.2340 -3.2340 -3.2340 -3.2300 -3.2300 -3.2299 -3.2299 -3.1259 -3.1259 -3.1255 -3.1255 -3.0594 -3.0594 -3.0594 -3.0594 -2.4363 -2.4363 -2.4355 -2.4355 -2.3967 -2.3967 -2.3963 -2.3963 -2.3580 -2.3580 -2.3576 -2.3576 -2.3522 -2.3522 -2.3504 -2.3504 -2.2721 -2.2721 -2.2706 -2.2706 -2.2520 -2.2520 -2.2508 -2.2508 -2.2443 -2.2443 -2.2426 -2.2426 -2.2317 -2.2317 -2.2298 -2.2298 -2.1794 -2.1794 -2.1793 -2.1793 -2.1745 -2.1745 -2.1740 -2.1740 -2.0913 -2.0913 -2.0910 -2.0910 -2.0861 -2.0861 -2.0854 -2.0854 -1.9281 -1.9281 k = 0.5000-0.0000 0.1452 ( 55496 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7746 -3.7746 -3.7745 -3.7745 -3.7183 -3.7183 -3.7182 -3.7182 -3.2947 -3.2947 -3.2945 -3.2945 -3.2928 -3.2928 -3.2927 -3.2927 -3.2563 -3.2563 -3.2563 -3.2563 -3.2553 -3.2553 -3.2553 -3.2553 -3.2341 -3.2341 -3.2341 -3.2341 -3.2298 -3.2298 -3.2298 -3.2298 -3.1276 -3.1276 -3.1273 -3.1273 -3.0571 -3.0571 -3.0570 -3.0570 -2.4340 -2.4340 -2.4330 -2.4330 -2.3992 -2.3992 -2.3985 -2.3985 -2.3581 -2.3581 -2.3577 -2.3577 -2.3522 -2.3522 -2.3507 -2.3507 -2.2724 -2.2724 -2.2712 -2.2712 -2.2513 -2.2513 -2.2502 -2.2502 -2.2445 -2.2445 -2.2431 -2.2431 -2.2312 -2.2312 -2.2295 -2.2295 -2.1795 -2.1795 -2.1795 -2.1795 -2.1743 -2.1743 -2.1739 -2.1739 -2.0914 -2.0914 -2.0911 -2.0911 -2.0861 -2.0861 -2.0854 -2.0854 -1.9285 -1.9285 k = 0.5000-0.0000 0.1089 ( 55518 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 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0.0726 ( 55512 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7769 -3.7769 -3.7769 -3.7769 -3.7161 -3.7161 -3.7160 -3.7160 -3.2945 -3.2945 -3.2944 -3.2944 -3.2929 -3.2929 -3.2929 -3.2929 -3.2562 -3.2562 -3.2562 -3.2562 -3.2555 -3.2555 -3.2554 -3.2554 -3.2342 -3.2342 -3.2342 -3.2342 -3.2296 -3.2296 -3.2296 -3.2296 -3.1300 -3.1300 -3.1298 -3.1298 -3.0539 -3.0539 -3.0538 -3.0538 -2.4295 -2.4295 -2.4287 -2.4287 -2.4034 -2.4034 -2.4028 -2.4028 -2.3581 -2.3581 -2.3579 -2.3579 -2.3521 -2.3521 -2.3513 -2.3513 -2.2727 -2.2727 -2.2721 -2.2721 -2.2503 -2.2503 -2.2496 -2.2496 -2.2447 -2.2447 -2.2440 -2.2440 -2.2303 -2.2303 -2.2293 -2.2293 -2.1797 -2.1797 -2.1797 -2.1797 -2.1740 -2.1740 -2.1738 -2.1738 -2.0914 -2.0914 -2.0913 -2.0913 -2.0859 -2.0859 -2.0856 -2.0856 -1.9292 -1.9292 k = 0.5000-0.0000 0.0363 ( 55514 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7775 -3.7775 -3.7775 -3.7775 -3.7155 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-2.0858 -2.0858 -1.9293 -1.9293 k = 0.0000 0.0000 0.5080 ( 55488 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7800 -3.7800 -3.7800 -3.7800 -3.7152 -3.7152 -3.7152 -3.7152 -3.2949 -3.2949 -3.2949 -3.2949 -3.2919 -3.2919 -3.2919 -3.2919 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2547 -3.2547 -3.2362 -3.2362 -3.2362 -3.2362 -3.2305 -3.2305 -3.2305 -3.2305 -3.1378 -3.1378 -3.1378 -3.1378 -3.0406 -3.0406 -3.0406 -3.0406 -2.4536 -2.4536 -2.4536 -2.4536 -2.3734 -2.3734 -2.3734 -2.3734 -2.3623 -2.3623 -2.3623 -2.3623 -2.3533 -2.3533 -2.3533 -2.3533 -2.2772 -2.2772 -2.2772 -2.2772 -2.2561 -2.2561 -2.2561 -2.2561 -2.2410 -2.2410 -2.2410 -2.2410 -2.2155 -2.2155 -2.2155 -2.2155 -2.1787 -2.1787 -2.1787 -2.1787 -2.1749 -2.1749 -2.1749 -2.1749 -2.0914 -2.0914 -2.0914 -2.0914 -2.0840 -2.0840 -2.0840 -2.0840 -1.9272 -1.9272 k = 0.0357-0.0000 0.5080 ( 55526 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7798 -3.7798 -3.7798 -3.7798 -3.7154 -3.7154 -3.7154 -3.7154 -3.2949 -3.2949 -3.2949 -3.2949 -3.2919 -3.2919 -3.2919 -3.2919 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2547 -3.2547 -3.2362 -3.2362 -3.2361 -3.2361 -3.2305 -3.2305 -3.2305 -3.2305 -3.1376 -3.1376 -3.1376 -3.1376 -3.0410 -3.0410 -3.0409 -3.0409 -2.4536 -2.4536 -2.4536 -2.4536 -2.3737 -2.3737 -2.3734 -2.3734 -2.3624 -2.3624 -2.3621 -2.3621 -2.3532 -2.3532 -2.3531 -2.3531 -2.2771 -2.2771 -2.2770 -2.2770 -2.2562 -2.2562 -2.2561 -2.2561 -2.2411 -2.2411 -2.2410 -2.2410 -2.2158 -2.2158 -2.2155 -2.2155 -2.1787 -2.1787 -2.1786 -2.1786 -2.1750 -2.1750 -2.1749 -2.1749 -2.0915 -2.0915 -2.0914 -2.0914 -2.0841 -2.0841 -2.0840 -2.0840 -1.9272 -1.9272 k = 0.0714-0.0000 0.5080 ( 55516 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5575 -43.5575 -43.5575 -43.5575 -43.5574 -43.5574 -43.5574 -43.5574 -3.7792 -3.7792 -3.7791 -3.7791 -3.7160 -3.7160 -3.7159 -3.7159 -3.2950 -3.2950 -3.2949 -3.2949 -3.2920 -3.2920 -3.2919 -3.2919 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2546 -3.2546 -3.2361 -3.2361 -3.2360 -3.2360 -3.2306 -3.2306 -3.2305 -3.2305 -3.1370 -3.1370 -3.1369 -3.1369 -3.0421 -3.0421 -3.0420 -3.0420 -2.4535 -2.4535 -2.4534 -2.4534 -2.3742 -2.3742 -2.3737 -2.3737 -2.3625 -2.3625 -2.3620 -2.3620 -2.3530 -2.3530 -2.3527 -2.3527 -2.2769 -2.2769 -2.2767 -2.2767 -2.2562 -2.2562 -2.2560 -2.2560 -2.2411 -2.2411 -2.2410 -2.2410 -2.2166 -2.2166 -2.2159 -2.2159 -2.1787 -2.1787 -2.1786 -2.1786 -2.1751 -2.1751 -2.1749 -2.1749 -2.0915 -2.0915 -2.0914 -2.0914 -2.0842 -2.0842 -2.0840 -2.0840 -1.9271 -1.9271 k = 0.1071-0.0000 0.5080 ( 55502 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7781 -3.7781 -3.7780 -3.7780 -3.7169 -3.7169 -3.7168 -3.7168 -3.2950 -3.2950 -3.2949 -3.2949 -3.2920 -3.2920 -3.2919 -3.2919 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2546 -3.2546 -3.2359 -3.2359 -3.2359 -3.2359 -3.2306 -3.2306 -3.2306 -3.2306 -3.1359 -3.1359 -3.1357 -3.1357 -3.0439 -3.0439 -3.0437 -3.0437 -2.4532 -2.4532 -2.4531 -2.4531 -2.3751 -2.3751 -2.3744 -2.3744 -2.3624 -2.3624 -2.3617 -2.3617 -2.3526 -2.3526 -2.3522 -2.3522 -2.2765 -2.2765 -2.2762 -2.2762 -2.2563 -2.2563 -2.2560 -2.2560 -2.2412 -2.2412 -2.2409 -2.2409 -2.2177 -2.2177 -2.2167 -2.2167 -2.1787 -2.1787 -2.1786 -2.1786 -2.1752 -2.1752 -2.1748 -2.1748 -2.0914 -2.0914 -2.0913 -2.0913 -2.0844 -2.0844 -2.0840 -2.0840 -1.9269 -1.9269 k = 0.1429-0.0000 0.5080 ( 55502 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7766 -3.7766 -3.7765 -3.7765 -3.7181 -3.7181 -3.7181 -3.7181 -3.2950 -3.2950 -3.2949 -3.2949 -3.2920 -3.2920 -3.2920 -3.2920 -3.2568 -3.2568 -3.2568 -3.2568 -3.2547 -3.2547 -3.2546 -3.2546 -3.2357 -3.2357 -3.2356 -3.2356 -3.2306 -3.2306 -3.2306 -3.2306 -3.1343 -3.1343 -3.1341 -3.1341 -3.0464 -3.0464 -3.0462 -3.0462 -2.4528 -2.4528 -2.4527 -2.4527 -2.3761 -2.3761 -2.3753 -2.3753 -2.3622 -2.3622 -2.3614 -2.3614 -2.3522 -2.3522 -2.3517 -2.3517 -2.2759 -2.2759 -2.2756 -2.2756 -2.2564 -2.2564 -2.2559 -2.2559 -2.2412 -2.2412 -2.2409 -2.2409 -2.2192 -2.2192 -2.2178 -2.2178 -2.1786 -2.1786 -2.1785 -2.1785 -2.1753 -2.1753 -2.1749 -2.1749 -2.0914 -2.0914 -2.0912 -2.0912 -2.0846 -2.0846 -2.0841 -2.0841 -1.9267 -1.9267 k = 0.1786-0.0000 0.5080 ( 55498 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 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-2.2403 -2.2403 -2.2272 -2.2272 -2.2248 -2.2248 -2.1783 -2.1783 -2.1782 -2.1782 -2.1758 -2.1758 -2.1751 -2.1751 -2.0911 -2.0911 -2.0908 -2.0908 -2.0856 -2.0856 -2.0847 -2.0847 -1.9253 -1.9253 k = 0.3214-0.0000 0.5080 ( 55482 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7638 -3.7638 -3.7637 -3.7637 -3.7290 -3.7290 -3.7290 -3.7290 -3.2952 -3.2952 -3.2950 -3.2950 -3.2922 -3.2922 -3.2921 -3.2921 -3.2568 -3.2568 -3.2567 -3.2567 -3.2548 -3.2548 -3.2547 -3.2547 -3.2342 -3.2342 -3.2341 -3.2341 -3.2310 -3.2310 -3.2309 -3.2309 -3.1199 -3.1199 -3.1195 -3.1195 -3.0667 -3.0667 -3.0663 -3.0663 -2.4502 -2.4502 -2.4500 -2.4500 -2.3825 -2.3825 -2.3813 -2.3813 -2.3590 -2.3590 -2.3582 -2.3582 -2.3510 -2.3510 -2.3496 -2.3496 -2.2708 -2.2708 -2.2702 -2.2702 -2.2576 -2.2576 -2.2561 -2.2561 -2.2411 -2.2411 -2.2399 -2.2399 -2.2295 -2.2295 -2.2268 -2.2268 -2.1782 -2.1782 -2.1780 -2.1780 -2.1760 -2.1760 -2.1753 -2.1753 -2.0910 -2.0910 -2.0906 -2.0906 -2.0858 -2.0858 -2.0848 -2.0848 -1.9249 -1.9249 k = 0.3571-0.0000 0.5080 ( 55480 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 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-2.2678 -2.2587 -2.2587 -2.2565 -2.2565 -2.2406 -2.2406 -2.2389 -2.2389 -2.2337 -2.2337 -2.2308 -2.2308 -2.1779 -2.1779 -2.1778 -2.1778 -2.1763 -2.1763 -2.1755 -2.1755 -2.0909 -2.0909 -2.0904 -2.0904 -2.0861 -2.0861 -2.0851 -2.0851 -1.9243 -1.9243 k = 0.4286-0.0000 0.5080 ( 55490 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5988 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7537 -3.7537 -3.7536 -3.7536 -3.7384 -3.7384 -3.7383 -3.7383 -3.2953 -3.2953 -3.2951 -3.2951 -3.2923 -3.2923 -3.2922 -3.2922 -3.2568 -3.2568 -3.2567 -3.2567 -3.2548 -3.2548 -3.2548 -3.2548 -3.2333 -3.2333 -3.2333 -3.2333 -3.2313 -3.2313 -3.2312 -3.2312 -3.1075 -3.1075 -3.1068 -3.1068 -3.0817 -3.0817 -3.0814 -3.0814 -2.4490 -2.4490 -2.4487 -2.4487 -2.3852 -2.3852 -2.3839 -2.3839 -2.3565 -2.3565 -2.3564 -2.3564 -2.3517 -2.3517 -2.3495 -2.3495 -2.2671 -2.2671 -2.2667 -2.2667 -2.2593 -2.2593 -2.2568 -2.2568 -2.2401 -2.2401 -2.2381 -2.2381 -2.2355 -2.2355 -2.2326 -2.2326 -2.1778 -2.1778 -2.1777 -2.1777 -2.1765 -2.1765 -2.1756 -2.1756 -2.0909 -2.0909 -2.0904 -2.0904 -2.0862 -2.0862 -2.0852 -2.0852 -1.9241 -1.9241 k = 0.4643-0.0000 0.5080 ( 55466 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7505 -3.7505 -3.7503 -3.7503 -3.7415 -3.7415 -3.7414 -3.7414 -3.2953 -3.2953 -3.2951 -3.2951 -3.2923 -3.2923 -3.2922 -3.2922 -3.2568 -3.2568 -3.2567 -3.2567 -3.2548 -3.2548 -3.2548 -3.2548 -3.2332 -3.2332 -3.2331 -3.2331 -3.2314 -3.2314 -3.2312 -3.2312 -3.1038 -3.1038 -3.1030 -3.1030 -3.0858 -3.0858 -3.0856 -3.0856 -2.4488 -2.4488 -2.4485 -2.4485 -2.3856 -2.3856 -2.3843 -2.3843 -2.3560 -2.3560 -2.3560 -2.3560 -2.3519 -2.3519 -2.3496 -2.3496 -2.2663 -2.2663 -2.2660 -2.2660 -2.2598 -2.2598 -2.2570 -2.2570 -2.2393 -2.2393 -2.2372 -2.2372 -2.2371 -2.2371 -2.2341 -2.2341 -2.1777 -2.1777 -2.1776 -2.1776 -2.1766 -2.1766 -2.1756 -2.1756 -2.0908 -2.0908 -2.0903 -2.0903 -2.0863 -2.0863 -2.0853 -2.0853 -1.9239 -1.9239 k = 0.5000-0.0000 0.5080 ( 55480 PWs) bands (ev): -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3752 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -87.3698 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7723 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -55.7666 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.6039 -43.5988 -43.5988 -43.5988 -43.5988 -43.5987 -43.5987 -43.5987 -43.5987 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5677 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -43.5574 -3.7486 -3.7486 -3.7484 -3.7484 -3.7433 -3.7433 -3.7433 -3.7433 -3.2953 -3.2953 -3.2951 -3.2951 -3.2923 -3.2923 -3.2922 -3.2922 -3.2568 -3.2568 -3.2567 -3.2567 -3.2548 -3.2548 -3.2548 -3.2548 -3.2331 -3.2331 -3.2330 -3.2330 -3.2314 -3.2314 -3.2313 -3.2313 -3.1021 -3.1021 -3.1011 -3.1011 -3.0877 -3.0877 -3.0876 -3.0876 -2.4487 -2.4487 -2.4484 -2.4484 -2.3857 -2.3857 -2.3844 -2.3844 -2.3559 -2.3559 -2.3558 -2.3558 -2.3520 -2.3520 -2.3496 -2.3496 -2.2660 -2.2660 -2.2658 -2.2658 -2.2600 -2.2600 -2.2571 -2.2571 -2.2384 -2.2384 -2.2383 -2.2383 -2.2366 -2.2366 -2.2350 -2.2350 -2.1777 -2.1777 -2.1776 -2.1776 -2.1766 -2.1766 -2.1757 -2.1757 -2.0908 -2.0908 -2.0903 -2.0903 -2.0863 -2.0863 -2.0853 -2.0853 -1.9239 -1.9239 Writing output data file Os.save init_run : 0.76s CPU 0.92s WALL ( 1 calls) electrons : 1122.43s CPU 1135.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 1122.42s CPU 1135.05s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.17s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.38s WALL ( 143 calls) cegterg : 1030.69s CPU 1040.39s WALL ( 143 calls) Called by sum_band: Called by *egterg: h_psi : 678.62s CPU 683.83s WALL ( 2613 calls) s_psi : 39.96s CPU 39.91s WALL ( 2613 calls) g_psi : 2.44s CPU 2.48s WALL ( 2327 calls) cdiaghg : 145.89s CPU 146.54s WALL ( 2470 calls) cegterg:over : 89.22s CPU 89.17s WALL ( 2327 calls) cegterg:upda : 82.21s CPU 82.22s WALL ( 2327 calls) cegterg:last : 52.92s CPU 52.82s WALL ( 494 calls) cdiaghg:chol : 7.49s CPU 7.70s WALL ( 2470 calls) cdiaghg:inve : 6.41s CPU 6.24s WALL ( 2470 calls) cdiaghg:para : 11.96s CPU 12.13s WALL ( 4940 calls) Called by h_psi: h_psi:vloc : 600.71s CPU 605.90s WALL ( 2613 calls) h_psi:vnl : 72.68s CPU 72.67s WALL ( 2613 calls) add_vuspsi : 35.96s CPU 35.92s WALL ( 2613 calls) General routines calbec : 36.70s CPU 36.74s WALL ( 2613 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 572.89s CPU 578.23s WALL ( 940492 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 1.30s WALL ( 286 calls) Parallel routines fft_scatter : 263.45s CPU 266.31s WALL ( 940515 calls) PWSCF : 21m49.68s CPU 24m42.76s WALL This run was terminated on: 9: 6:39 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=