Oleg Peil
8378013faa
Merge branch 'master' into vasp
...
Conflicts:
doc/guide/dftdmft_selfcons.rst
python/CMakeLists.txt
python/converters/__init__.py
python/sumk_dft.py
test/CMakeLists.txt
2017-01-27 12:19:03 +01:00
Priyanka Seth
390e8564b7
Minor clean up, pep-ified to allow doc compilation to run smoothly
2016-05-09 10:19:56 +02:00
Oleg E. Peil
f142db96fb
Merge branch 'master' into vasp
...
Conflicts:
CMakeLists.txt
python/CMakeLists.txt
python/converters/__init__.py
test/CMakeLists.txt
2016-03-11 09:53:24 +01:00
Gabriele Sclauzero
0d3e59a73c
[wannier90] First commit with working version
...
Implements the Wannier90 converter, provides related docs and a test
2016-02-17 12:01:21 +01:00
Oleg E. Peil
e8dff08fcf
Added a possibility to read EFERMI from LOCPROJ
...
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.
2015-12-18 17:45:12 +01:00
aichhorn
e10c48e106
Added first draft of general converter to handle general H(k)
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Added also routine to rotate basis sets
2014-04-02 17:54:31 +02:00
Olivier Parcollet
0e585ad9b4
First import. triqs 1.0 alpha1
2013-07-23 20:55:29 +02:00
