DMFT metainfo and w2dynamics parser
Including the CT-QMC Dynamical Mean-Field Theory package, w2dynamics.
-
Parse HoppingMatrix
from Wannier90. -
Define hopping matrix as Method.NonInteractingModel
. -
Parse system from Wannier90 output files. -
Create Method.InteractionModel
:-
Define Method.InteractionModel.HubbardKanamoriModel
. -
(optional) Define Method.InteractionModel.ExtendedHubbardModel
. -
(optional) Define Method.InteractionModel.HeisenbergModel
.
-
- [ ] Re-structure electronic parsers to populate HubbardKanamoriModel
for DFT+U.
-
Create Method.DMFT metainfo -
Add w2dynamics parser -
Create and populate Calculation.GreensFunctions
. -
Define new results section ( properties.many_body
): Green's functions in tau, self-energy in Matusbaras, trace of double occupancies. -
Include DMFT input Method info in the Overview -
Create FilterMenu for DMFT including searches for: -
Impurity Solver
, -
Doping
(fraction between [0.0, 1.0]), -
Inverse Temperature
-
Magnetic State
-
U
-
JH/U
-
-
Include testing
Edited by Jose Pizarro