Add Tight Binding Studio parser
Adding the parser for Tight Binding Studio package for Projection
calculations.
-
Add parser and code-specific metainfo for TBStudio. -
Change name from Projection
toTightBinding
-> moveMethod.Projection.Wannier
toMethod.TightBinding.Wannier
-> NO, keepProjection
for now to differentiate from DFTB+ and xTB. -
Create metainfo for Method.Projection.SlaterKoster
(input parameters defining the calculation). -
Define common metainfo for Projection model fittings (n_orbitals? n_bands?). -
Populate Calculation.HoppingMatrix
following Wannier90 style. -
Define Projection
workflow, and connect TBStudio with the original DFT calculation using upload_id/entry_id.
Edited by Jose Pizarro