embeddedDMFT parser and revisit DMFT metainfo
This issue is to extend the current DMFT
and GreensFunctions
metainfo (both in run
and results
) for parsing and normalizing w.r.t to the code eDMFT.
They have their own database that we can parse too into NOMAD-lab after the eDMFT parser is prepared.
-
Add eDMFT parser. -
Clean-up run.method.dmft
metainfo. -
Add results.method.dMFT.maxent_analytical_continuation
boolean quantity.
-
-
Add quantities to run.calculation.greens_functions_electronic
for:-
greens_function_freq
andself_energy_freq
(in real frequencies). -
hybridization_function
for both imaginary and real frequencies.
-
-
- Im G(w) / pi is directly comparable with DOS -> parse into Dos.total and Dos.orbital_projected. -
Extract band_gap_electronic information from greens_function_freq
. -
Parse DFT+DMFT workflow: -
Wannier+DMFT workflow ( #1445 (closed)). -
DMFT+MaxEnt workflow. -
DFT+DMFT(+MaxEnt) workflow.
-
Edited by Jose Pizarro