[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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