mirror of
https://github.com/triqs/dft_tools
synced 2024-12-26 14:23:38 +01:00
52 lines
1.8 KiB
Python
52 lines
1.8 KiB
Python
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################################################################################
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#
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# TRIQS: a Toolbox for Research in Interacting Quantum Systems
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#
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# Copyright (C) 2011 by M. Ferrero, O. Parcollet
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#
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# TRIQS is free software: you can redistribute it and/or modify it under the
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# terms of the GNU General Public License as published by the Free Software
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# Foundation, either version 3 of the License, or (at your option) any later
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# version.
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#
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# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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# details.
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#
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# You should have received a copy of the GNU General Public License along with
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# TRIQS. If not, see <http://www.gnu.org/licenses/>.
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#
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################################################################################
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from pytriqs.lattice.tight_binding import *
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# Define the Bravais Lattice : a square lattice in 2d
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BL = BravaisLattice(units = [(1,0,0) , (0,1,0) ], orbital_positions= {"" : (0,0,0)} )
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# Prepare a nearest neighbour hopping on BL
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t = -1.00 # First neighbour Hopping
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tp = 0.0*t # Second neighbour Hopping
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# Hopping[ Displacement on the lattice] = [[t11,t12,t13....],[t21,t22,t23....],...,[....,tnn]]
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# where n=Number_Orbitals
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hop = { (1,0) : [[ t]],
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(-1,0) : [[ t]],
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(0,1) : [[ t]],
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(0,-1) : [[ t]],
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(1,1) : [[ tp]],
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(-1,-1): [[ tp]],
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(1,-1) : [[ tp]],
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(-1,1) : [[ tp]]}
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TB = TightBinding(BL, hop)
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# Compute the density of states
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d = dos(TB, n_kpts= 500, n_eps = 101, name = 'dos')[0]
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from pytriqs.archive import HDFArchive
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R = HDFArchive('dos.output.h5','w')
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R['SquareLatt'] = d
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