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Oleg E. Peil 2bb45c775c Fixed 'proj_shell' test suite 
This test suite is based on V d-projectors in SrVO3.
The data have been recalculated to obtain the correct format
of LOCPROJ.

Also, some small but important changes are introduced to
the LOCPROJ parser and class ElectronicStructure.
Specifically, eigenvalues, Fermi-weights, and Fermi level are
now read from LOCPROJ instead of EIGENVAL and DOSCAR.
Besides, LOCPROJ now provides the value of NCDIJ instead of
NSPIN.

Basically, with these changes EIGENVAL and DOSCAR are no longer
needed. Although corresponding parseres will remain in 'vaspio.py'
they will not be used for standard operations.
2016-03-24 19:34:29 +01:00
c++ Fixed CMake scripts to properly add a c++ library 2016-03-24 11:40:12 +01:00
cmake [cmake] Fix broken tests after change in TRIQS install macros 2016-02-04 08:28:47 +01:00
doc Merge branch 'master' into vasp 2016-03-11 09:53:24 +01:00
fortran/dmftproj Writing of .oubwin removed for dmftproj -band 2015-07-07 16:00:06 +02:00
python Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00
shells Fixed a typo in 'vasp_dmft.bash.in' 2016-03-24 14:37:03 +01:00
test Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00
CMakeLists.txt Fixed CMake scripts to properly add a c++ library 2016-03-24 11:40:12 +01:00
dft_dmft_cthyb.py Added a wrapper function set_Sigma for more standard API 2015-11-02 11:43:53 +01:00
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.