Manuel
ba0cfa9013
Add doc to VASP converter concerning block structure
2018-07-09 10:50:36 -04:00
Manuel
2af2bac8d6
Commenting parts of SVO examples because issue #98 is not fixed.
2018-07-03 15:48:39 -04:00
Manuel
8a53a80e1e
Fix a few documentation issue of the VASP converter
2018-07-03 14:44:03 -04:00
Manuel
e187958774
Fix issue #99
2018-06-26 15:05:05 -04:00
Manuel
9782be2c93
Fix issue #97
2018-06-25 14:21:39 -04:00
Dylan Simon
96fea4389b
[doc] Update old link to hubbardI to github
2018-06-25 10:23:30 -04:00
Nils Wentzell
2632f2c87f
[doc] Update of install instructions, added changelog
2018-06-04 15:56:47 -04:00
Manuel
8e883f6118
Fix typo in doc example (issue #93 )
2018-05-31 09:27:51 -04:00
Nils Wentzell
4a75e3fdc8
Update urls
2018-05-28 09:49:33 -04:00
Nils Wentzell
1bab92c721
Merge tag '1.5'
...
Release 1.5
2018-05-26 23:56:46 +02:00
Nils Wentzell
9d87d0be15
Updating import directives, minor correction to commit
2018-05-01 11:55:31 +02:00
Nils Wentzell
72c7f57110
Fix #89 Adjustments after recent triqs/cthyb gf_struct typechange
...
-Adjust gf_struct keyword argument of CTHyb from dict : str -> indices
to list of pairs: [ [str, indices], ... ] in accordance with
recent cthyb/triqs changes
-Fix set_operator_structure in srvo3_Gloc.py test accordingly
-TODO: Adjust gf_struct appearences throughout dft_tools accordingly
2018-04-30 19:05:18 +02:00
Manuel
88bf0fd435
Include thermal conductivity in transp doc
2018-04-30 11:43:58 -04:00
Manuel Zingl
4649b2142c
Doc modifications regarding issue #80
2017-10-18 13:11:39 +02:00
Manuel Zingl
fff9e36354
Correct Tailfit SrVO3 doc (issue #78 )
2017-10-13 13:28:01 +02:00
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
Oleg Peil
d76f2d381a
Added documentation
...
Added documentation on the converter input file.
Added a drafts of the documentation on charge self-consistency.
2017-01-27 11:39:02 +01:00
Oleg E. Peil
54022c3952
Added docs on PLOVasp
...
Added description of the input file and a general section
on the interface.
Also, an example input file for SrVO3 is added.
2016-12-31 11:12:16 +01:00
Oleg E. Peil
3d4ea99619
Added the first draft of the PLOVasp user guide
2016-09-22 12:39:30 +02:00
Manuel Zingl
71f33af395
[doc] Fix a few links
2016-09-13 15:20:21 +02:00
aichhorn
c4b4620b36
Updated documentation of the hk converter
2016-08-29 10:27:33 +02:00
Manuel Zingl
1c29776727
[doc] Restructuring doc II
...
* Committing missing files of last commit
* Correcting typos
* Modifications according to issue #56
2016-07-08 12:04:31 +02:00
Manuel Zingl
5c70f1bca0
[doc] Restructured parts of the user guide
...
* New page on: What you should know
* SrVO3 DMFT separated from single-shot page
* section on tailfit, mixing and restarting calcs
* correcting typos
2016-07-07 16:13:37 +02:00
Priyanka Seth
167711a428
[doc] minor fix to make jenkins happy
2016-05-09 10:00:50 +02:00
Gabriele Sclauzero
0d3e59a73c
[wannier90] First commit with working version
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Implements the Wannier90 converter, provides related docs and a test
2016-02-17 12:01:21 +01:00
Manuel Zingl
f586c98508
[doc] Correct typos in guide
2016-02-10 09:36:33 +01:00
Manuel Zingl
919e0a3ead
[doc] Corrected errors in the Ce example scripts
2016-01-18 11:04:55 +01:00
Manuel Zingl
8cd2a73ae2
[transp] Update doc.
2015-11-09 10:01:37 +01:00
Priyanka Seth
f93fd828c0
Added a wrapper function set_Sigma for more standard API
2015-11-02 11:43:53 +01:00
Manuel Zingl
0a07681455
Small change to doc and faq added regarding optics
2015-10-12 14:09:03 +02:00
aichhorn
ec414f40ff
bugfixes in the transport doc
2015-10-02 13:47:46 +02:00
Manuel Zingl
31bf191cf8
Update analysis.rst (reading sigma from txt files)
2015-09-17 10:45:09 +02:00
Manuel Zingl
cf7628065b
Some changes in the usage of build_sigma_from_txt.
2015-08-24 14:47:08 +02:00
Manuel Zingl
9935aa552d
Adding links to reference manual. Minor updates.
2015-08-20 18:39:30 +02:00
Manuel Zingl
00a775a93d
analysis.rst done. Minor change in transport.rst
...
I also described how one can read a self energy form a data
file. However, this needs to be tested and also included
in the reference manual. Maybe the function should move
back into sumk_dft_tools!?
2015-08-20 15:46:14 +02:00
aichhorn
6a50b57c59
Removed bugs and some inconsistencies
2015-08-19 12:11:23 +02:00
Manuel Zingl
5456842824
Update for analysis.rst
...
Not done yet...
2015-08-18 18:56:59 +02:00
aichhorn
66392dfd94
changes in transport part to be compliant with the structure of HDFArchive save/load
2015-08-18 11:10:33 +02:00
aichhorn
3b344f4089
changed HDFArchive statments to avoid problems with TRIQS issue #245 . Bugfixes for broken reference links.
2015-08-18 11:01:34 +02:00
Manuel Zingl
e5fe091cef
analysis.rst half done and some other minor changes
2015-08-17 19:08:05 +02:00
aichhorn
365f77d623
self consistent part updated
2015-08-14 15:12:35 +02:00
aichhorn
5ebedd8d85
removed conversion step from dmft single-shot description
2015-08-14 13:53:40 +02:00
aichhorn
6fff56fe8d
new version of single-shot dft+dmft
2015-08-13 16:50:48 +02:00
aichhorn
a7cc27cab3
complete rewriting of interface/conversion
2015-08-13 15:27:50 +02:00
Priyanka Seth
cb792604b1
Replace h_loc -> h_int
2015-06-22 12:37:47 +02:00
Priyanka Seth
86b1461c52
Moved U_matrix to TRIQS library
2015-06-17 18:19:30 +02:00
Priyanka Seth
8dc42b08ae
[doc] New documentation
...
* restructuring
* added user reference
* started working on user guide
* added schematic to structure
2015-04-21 14:31:15 +02:00
