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issp-center-dev / DCore

DMFT software for CORrelated Electrons
https://issp-center-dev.github.io/DCore/index.html
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add more impurity solver: MO-IPT #57

Open ghost opened 5 years ago

ghost commented 5 years ago

can you add more impurity Solver? this MO-IPT impurity solver seems good, from this paper paper, using GGA + MO-IPT approach gives better agreement on experiment than ctqmc solver.

I don't know how to integrate proper impurity solver manually. it would be great if you make tutorial documentation on MO-IPT integration. thank you so much!

here is their github repo on MO-IPT : https://github.com/msjarrell/MO-IPT

shinaoka commented 5 years ago

Hi,

Thank you for your interest. For DCore v2, we describe here how to implement an interface for a new impurity solver. https://issp-center-dev.github.io/DCore/impuritysolvers/how_to_integrate.html