Commit 20f7b612 authored by Alan O'Cais's avatar Alan O'Cais

Add to ToC

parent 40b72195
Pipeline #5865 passed with stages
in 2 minutes and 2 seconds
......@@ -139,6 +139,7 @@ Below is a list of the modules developed directly within the context of the pilo
./modules/Gaussian_interface/README
./modules/WLRR/README
./modules/SCDM_WFs/readme
./modules/W90_MaX_collab/readme
./modules/W90_solution_booklet/readme
./modules/FFTXlib/readme
./modules/W90_cube_format_non-orthogonal/readme
......
......@@ -29,9 +29,9 @@
.. _SCDM_in_Wannier90:
########
SCDM_WFs
########
######################
SCDM Wannier Functions
######################
.. Let's add a local table of contents to help people navigate the page
......
:orphan:
.. Firstly, let's add technical info as a sidebar and allow text below to wrap around it. This list is a work in
progress, please help us improve it. We use *definition lists* of ReST_ to make this readable.
......@@ -67,11 +65,11 @@ Create a fully-automated protocol based on the SCDM algorithm for the constructi
parameters are determined automatically (in our HT approach the dimensionality of the disentangled space is fixed by the
total number of states used to generate the pseudopotentials in the DFT calculations).
In the `paper derived from this work <https://psi-k.net/download/highlights/Highlight_147.pdf>`_ [vitale2019automated]_, we apply our approach to a dataset of 200 bulk crystalline materials that span a wide structural and chemical
In the `paper derived from this work <https://psi-k.net/download/highlights/Highlight_147.pdf>`_ [vitale2019]_, we apply our approach to a dataset of 200 bulk crystalline materials that span a wide structural and chemical
space. We assess the quality of our MLWFs in terms of the accuracy of the band-structure interpolation that they provide
as compared to the band-structure obtained via full first-principles calculations.
.. [vitale2019automated] `arXiv:1909.00433 <https://arxiv.org/abs/1909.00433>`_ [physics.comp-ph]
.. [vitale2019] `arXiv:1909.00433 <https://arxiv.org/abs/1909.00433>`_ [physics.comp-ph]
Background Information
______________________
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