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Check support for DFT+U #77

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elinscott opened this issue Nov 10, 2021 · 0 comments
Open

Check support for DFT+U #77

elinscott opened this issue Nov 10, 2021 · 0 comments
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enhancement New feature or request medium-term

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For the sake of comparison, it would be nice to be able to perform DFT+U. There is no reason a priori why this won't work currently, except for the fact that we default to using kcp.x rather than pw.x. Instead, we should make the workflow keywords sufficiently flexible to be able to perform a single DFT+U calculation with pw.x
@elinscott elinscott added enhancement New feature or request medium-term labels Nov 10, 2021
@elinscott elinscott self-assigned this Nov 10, 2021
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