LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-21 20:03:41 +01:00
Code Issues Releases Wiki Activity

docs(conv_vasp): add reference and link to PLO formalism in VASP

Browse Source
This commit is contained in:
Oleg E. Peil 2018-12-12 14:16:54 +01:00
parent a8c7569830
commit c4028dcbd9
1 changed files with 3 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
doc/guide/conv_vasp.rst
View File

@ -39,7 +39,9 @@ where `<sites>` represents a list of site indices separated by spaces,
with the indices corresponding to the site position in the POSCAR file; with the indices corresponding to the site position in the POSCAR file;
`<shells>` specifies local states (see below); `<shells>` specifies local states (see below);
`<projector type>` chooses a particular type of the local basis function. `<projector type>` chooses a particular type of the local basis function.
The recommended projector type is `Pr 2`. The recommended projector type is `Pr 2`. The formalism for this type
of projectors is presented in
`M. Schüler et al. 2018 J. Phys.: Condens. Matter 30 475901 <https://doi.org/10.1088/1361-648X/aae80a>`_.
The allowed labels of the local states defined in terms of cubic The allowed labels of the local states defined in terms of cubic
harmonics are: harmonics are: