DMFT metainfo and w2dynamics parser
Including the CT-QMC Dynamical Mean-Field Theory package, w2dynamics.
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Parse HoppingMatrixfrom 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.
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- [ ] Re-structure electronic parsers to populate HubbardKanamoriModel for DFT+U.
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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
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Include testing
Edited by Jose Pizarro