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.
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Add eDMFT parser. -
Clean-up run.method.dmftmetainfo. -
Add results.method.dMFT.maxent_analytical_continuationboolean quantity.
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Add quantities to run.calculation.greens_functions_electronicfor:-
greens_function_freqandself_energy_freq(in real frequencies). -
hybridization_functionfor both imaginary and real frequencies.
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- 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.
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Edited by Jose Pizarro