mirror of
https://github.com/triqs/dft_tools
synced 2024-12-30 16:15:47 +01:00
55 lines
2.0 KiB
Python
55 lines
2.0 KiB
Python
################################################################################
|
|
#
|
|
# TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
#
|
|
# Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola
|
|
#
|
|
# 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.archive import *
|
|
from pytriqs.gf import *
|
|
from pytriqs.gf.tools import *
|
|
from sumk_dft_tools import *
|
|
from pytriqs.utility.comparison_tests import *
|
|
import numpy as np
|
|
|
|
# Read self energy from hdf file
|
|
ar = HDFArchive('SrVO3_Sigma.h5','r')
|
|
Sigma_hdf = ar['dmft_transp_input']['Sigma_w']
|
|
|
|
# Save self energy to txt files
|
|
for name, s in Sigma_hdf:
|
|
mesh = np.array([p for p in s.mesh]).reshape(-1,1).real
|
|
re_data = s.data.real.reshape((s.data.shape[0],-1))
|
|
im_data = s.data.imag.reshape((s.data.shape[0],-1))
|
|
|
|
mesh_a_data = np.hstack((mesh,re_data,im_data))
|
|
np.savetxt('Sigma_' + name + '.dat', mesh_a_data)
|
|
|
|
# Read self energy from txt files
|
|
SK = SumkDFTTools(hdf_file = 'SrVO3.h5', use_dft_blocks = True)
|
|
|
|
a_list = [a for a,al in SK.gf_struct_solver[0].iteritems()]
|
|
g_list = [read_gf_from_txt([['Sigma_' + a + '.dat']], a) for a in a_list]
|
|
Sigma_txt = BlockGf(name_list = a_list, block_list = g_list, make_copies=False)
|
|
|
|
SK.set_Sigma([Sigma_txt])
|
|
|
|
SK.hdf_file = 'sigma_from_file.out.h5'
|
|
SK.save(['Sigma_imp_w'])
|
|
|
|
assert_block_gfs_are_close(Sigma_txt, Sigma_hdf)
|