mirror of
https://github.com/triqs/dft_tools
synced 2024-11-19 04:22:29 +01:00
37 lines
1.2 KiB
Python
37 lines
1.2 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 *
|
|
import numpy
|
|
from pytriqs.applications.dft.U_matrix import *
|
|
|
|
U_sph = U_matrix(l=2, U_int=2.0, J_hund=0.5)
|
|
U_cubic = transform_U_matrix(U_sph,spherical_to_cubic(l=2))
|
|
U,Up = reduce_4index_to_2index(U_cubic)
|
|
|
|
ar = HDFArchive('U_mat.output.h5')
|
|
ar['Ufull_sph'] = U_sph
|
|
ar['Ufull_cubic'] = U_cubic
|
|
ar['U'] = U
|
|
ar['Up'] = Up
|
|
|
|
del ar
|