Incorrect reference energy with DFT

BoothGroup / ebcc

Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.

https://boothgroup.github.io/ebcc/

MIT License

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Closed obackhouse closed 1 month ago

obackhouse commented 2 months ago

The mean-field energy is accessed as mf.e_tot, so if a DFT reference is used, total energies are incorrect.