mirror of
https://github.com/triqs/dft_tools
synced 2024-11-13 17:43:48 +01:00
e8dff08fcf
Noramlly, the Fermi energy is read from DOSCAR. However, this does not work in case of a self-consistent calculation in which DOSCAR is not written between iterations. One of the options is to modify slightly the output to LOCPROJ and add EFERMI to the first line.
30 lines
1.1 KiB
Python
30 lines
1.1 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 wien2k_converter import Wien2kConverter
|
|
from hk_converter import HkConverter
|
|
from vasp_converter import VaspConverter
|
|
|
|
__all__ =['Wien2kConverter','HkConverter','VaspConverter']
|
|
|
|
|