forked from Lainports/opnsense-ports
10 lines
620 B
Text
10 lines
620 B
Text
TRIQS-based-based application is aimed at ab-initio calculations for correlated
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materials, combining realistic DFT band-structure calculations with the
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dynamical mean-field theory. Together with the necessary tools to perform the
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DMFT self-consistency loop for realistic multi-band problems, the package
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provides a full-fledged charge self-consistent interface to the Wien2K package.
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In addition, if Wien2k is not available, it provides a generic interface for
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one-shot DFT+DMFT calculations, where only the single-particle Hamiltonian in
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orbital space has to be provided.
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WWW: https://triqs.github.io/dft_tools/master
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