################################################################################ # # TRIQS: a Toolbox for Research in Interacting Quantum Systems # # Copyright (C) 2011 by M. Ferrero, O. Parcollet # # TRIQS is free software: you can redistribute it and/or modify it under the # terms of the GNU General Public License as published by the Free Software # Foundation, either version 3 of the License, or (at your option) any later # version. # # TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS # FOR A PARTICULAR PURPOSE. See the GNU General Public License for more # details. # # You should have received a copy of the GNU General Public License along with # TRIQS. If not, see . # ################################################################################ from pytriqs.lattice.tight_binding import * # Define the Bravais Lattice : a square lattice in 2d BL = BravaisLattice(units = [(1,0,0) , (0,1,0) ], orbital_positions= {"" : (0,0,0)} ) # Prepare a nearest neighbour hopping on BL t = -1.00 # First neighbour Hopping tp = 0.0*t # Second neighbour Hopping # Hopping[ Displacement on the lattice] = [[t11,t12,t13....],[t21,t22,t23....],...,[....,tnn]] # where n=Number_Orbitals hop = { (1,0) : [[ t]], (-1,0) : [[ t]], (0,1) : [[ t]], (0,-1) : [[ t]], (1,1) : [[ tp]], (-1,-1): [[ tp]], (1,-1) : [[ tp]], (-1,1) : [[ tp]]} TB = TightBinding(BL, hop) # Compute the density of states d = dos(TB, n_kpts= 500, n_eps = 101, name = 'dos')[0] from pytriqs.archive import HDFArchive R = HDFArchive('dos.output.h5','w') R['SquareLatt'] = d