solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS

PHP Submitted 24 June 2022Published 23 September 2022
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Editor: @rkurchin (all papers)
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Authors

Maximilian E. Merkel (0000-0003-2589-9625), Alberto Carta (0000-0003-0705-0281), Sophie Beck (0000-0002-9336-6065), Alexander Hampel (0000-0003-1041-8614)

Citation

Merkel et al., (2022). solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS. Journal of Open Source Software, 7(77), 4623, https://doi.org/10.21105/joss.04623

@article{Merkel2022, doi = {10.21105/joss.04623}, url = {https://doi.org/10.21105/joss.04623}, year = {2022}, publisher = {The Open Journal}, volume = {7}, number = {77}, pages = {4623}, author = {Maximilian E. Merkel and Alberto Carta and Sophie Beck and Alexander Hampel}, title = {solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS}, journal = {Journal of Open Source Software} }
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Python electronic structure theory solid-state computational materials science correlated electrons dynamical mean-field theory

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