LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-21 11:53:41 +01:00
Code Issues Releases Wiki Activity
345 Commits 10 Branches 21 Tags 87 MiB
Python 54.8%
Fortran 37.4%
Shell 5.7%
C++ 2.1%
41b3b63744
Go to file
Oleg E. Peil 41b3b63744 Modified input of eigenvalues and Fermi weights 
In the new version of VASP LOCPROJ contains the eigenvalues and
Fermi weights. Also, during a charge self-consistency calculation
the file EIGENVAL is not written at intermediate iterations. It is,
thus, preferential to use LOCPROJ to get the named data.
At the moment, EIGENVAL will still be used if it is complete but
in the future this dependence should be removed completely.
2015-12-11 10:54:51 +01:00
c/plovasp Added C-module for reading LOCPROJ (not implemente) 2015-11-27 15:23:09 +01:00
doc Updated documentation 2015-11-20 12:24:32 +01:00
fortran/dmftproj Writing of .oubwin removed for dmftproj -band 2015-07-07 16:00:06 +02:00
python Modified input of eigenvalues and Fermi weights 2015-12-11 10:54:51 +01:00
test [tests] update h5 files after vector writing change in triqs lib 2015-10-07 12:45:45 +02:00
CMakeLists.txt changed version to 1.4 2015-11-25 11:53:44 +01:00
dft_dmft_cthyb.py small fix to dft_dmft_cthyb.py 2015-08-03 16:40:39 +02:00
README.txt Small fix merged from gsabo request #4 2014-01-21 17:15:43 +01:00

README.txt 

Wien2TRIQS interface to Wien2k
Copyright (C) 2011-2013, M. Aichhorn, L. Pourovskii, V. Vildosola and C. Martins

1. Documentation

You will find the documentation of this application under
<http://ipht.cea.fr/triqs/applications/dft_tools/>.

2. Installation

The installation steps are described in
<http://ipht.cea.fr/triqs/applications/dft_tools/install.html>

3. Version

You can find the version and release number of the application on the top of
the CMakeLists.txt file in this directory.

4. License

This application 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 (see <http://www.gnu.org/licenses/>).

It 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.