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dft_tools/test/pytriqs/base/dos.py

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################################################################################
#
# 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 <http://www.gnu.org/licenses/>.
#
################################################################################
from pytriqs.lattice.tight_binding import *
# Define the Bravais Lattice : a square lattice in 2d
2014-05-29 21:34:46 +02:00
BL = BravaisLattice(units = [(1,0,0) , (0,1,0) ])
# 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