Manuel Zingl 3a78f18cfc dmftproj: add option to specify band indices ...

This adds another option and a mode flag in dmftproj:
 * third value in window line defines now the mode
 * new option to provide an energy window where all
   bands which are within the window (at least at one k-point)
   are taken into account for the projectors.
 * updates to documention to reflects those changes

2020-08-04 17:48:06 +02:00

..

images_scripts

Update LaVO3_w90.inp

2020-06-03 12:35:15 -04:00

Sr2MgOsO6

Reshuffled doc on SOC and Basisrotations

2020-02-24 15:42:28 +01:00

Sr2RuO4

renamed converters from app_converter.py to app.py

2020-06-23 11:13:00 +02:00

analysis.rst

renamed converters from app_converter.py to app.py

2020-06-23 11:13:00 +02:00

BasisRotation.rst

Included block_structure.convert_operator() in doc and non-SOC tutorial

2020-04-30 12:47:03 +02:00

blockstructure.rst

Merge branch 'unstable' into py3

2020-06-23 10:53:52 +02:00

conv_generalhk.rst

renamed converters from app_converter.py to app.py

2020-06-23 11:13:00 +02:00

conv_vasp.rst

renamed converters from app_converter.py to app.py

2020-06-23 11:13:00 +02:00

conv_W90.rst

Update conv_W90.rst

2020-06-03 20:12:13 -04:00

conv_wien2k.rst

dmftproj: add option to specify band indices

2020-08-04 17:48:06 +02:00

conversion.rst

First part of revamping the VASP interface documentation. Rewrote the interface with VASP guid. Removed the unused doc/vasp/* files. Start for SVO VASP tutorial as ipynb

2019-12-03 19:29:09 -05:00

dftdmft_selfcons.rst

changes to VASP CSC calculations in doc.

2020-01-03 11:01:08 +01:00

dftdmft_singleshot.rst

[py3] Run port_to_triqs3 script

2020-05-27 11:30:24 -04:00

soc.rst

added Wien2k doc link

2020-05-07 13:49:41 +02:00

transport.rst

renamed converters from app_converter.py to app.py

2020-06-23 11:13:00 +02:00