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Release of UK Toscam, DMFT for ONETEP

27 May 2020

TOSCAM (Toolbox for Strongly Correlated Approaches to Molecules), a DMFT implementation for the linear scaling UK software ONETEP...

TOSCAM (Toolbox for Strongly Correlated Approaches to Molecules), a DMFT implementation for the linear scaling UK software ONETEP has recently been released. This is both an integration within ONETEP, but with an external open source engine available at toscam.org.

The programme package is described in a couple of recently accepted publications:

arXiv.org
Journal of Chemical Theory and Computation

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