DOE OSTI · code-99534
ComDMFT
Abstract
ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines DFT or qsGW calculations with impurity problems describing strong on-atom correlations. The impurity problem is set up using Wannier90 and cRPA, and can be solved with DMFT and CTQMC.
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Choi, Sangkook, Kutepov, Andrey, Semon, Patrick, Van Dam, Hubertus, Melnick, Corey. 2019-01-04. ComDMFT. https://doi.org/10.11578/dc.20230124.1
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