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DOC: Mention VASP RPA support in docs
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ajjackson committed Apr 21, 2020
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3 changes: 3 additions & 0 deletions README.rst
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Expand Up @@ -117,9 +117,12 @@ Feature support for different codes
+------------------+----------+--------+----------+
| phonon band plot | **Y** (2)| **Y** | *N* |
+------------------+----------+--------+----------+
| optical spectra | **Y** (3)| *N* | **Y** |
+------------------+----------+--------+----------+

(1) Brillouin-zone path can also be written for CASTEP phonon calculation
(2) VASP phonons are plotted from Phonopy output files
(3) As well as the LOPTICS sum over empty states, RPA spectra with ALGO=CHI are supported

Installation
------------
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8 changes: 4 additions & 4 deletions docs/source/sumo-optplot.rst
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@@ -1,9 +1,9 @@
sumo-optplot
==============

``sumo-optplot`` is a program for generating publication-ready optical absorption
spectra diagrams from VASP calculations. The script supports plotting multiple
spectra simultaneously.
``sumo-optplot`` is a program for generating publication-ready optical
absorption spectra diagrams from VASP or Questaal calculations. The
script supports plotting multiple spectra simultaneously.

.. contents:: Table of Contents
:local:
Expand All @@ -18,7 +18,7 @@ and be can be accessed using the command::
sumo-optplot -h

To plot an absorption spectra, simply run the following command in a folder containing a ``vasprun.xml`` or
``vasprun.xml.gz`` file, which has been calculated using ``LOPTICS = .TRUE.``::
``vasprun.xml.gz`` file, which has been calculated using ``LOPTICS = .TRUE.`` or ``ALGO = CHI``::

sumo-optplot

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