[QE-users] Different kinds of pseudopotentials used in one calculation
Nicola Marzari
nicola.marzari at epfl.ch
Wed Jul 22 13:16:57 CEST 2020
On 22/07/2020 12:40, Leo Yang wrote:
> Dear QE users,
>
> I have a question: Is that forbidden to use two different type of
> pseudopotentials in one calculation (e.g. Use norm-conserving
> pseudopotential for C, ultrasoft pseudopotential for O)? Could it
> produce any error? It will be very appreciated if you can solve my silly
> problem. Thanks.
>
> Best,
it's ok to do so.
> Yang Zhou
> University of Leeds
>
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
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