3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-21 11:53:41 +01:00

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

This commit is contained in:
Oleg E. Peil 2018-12-12 14:16:54 +01:00
parent a8c7569830
commit c4028dcbd9

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;
`<shells>` specifies local states (see below);
`<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
harmonics are: