[Pw_forum] Use different type of PP

Prasenjit Ghosh prasenjit.jnc at gmail.com
Fri Oct 10 17:58:53 CEST 2008


As long as the Exchange correlation function of the two pseudopotentials are
same you cam use it.

Prasenjit.

2008/10/10 <ski2 at mail.uh.edu>

> Dear all,
>
> I have a quick question about utilization of pseudopentials.
>
> Is it possible to use Vanderbilt ultrasoft PPs with  Martins-Troullier PPs
> in an electronic structure calculation?
> For example: I.pbe-mt_bw.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/I.pbe-mt_bw.UPF>and
> O.pbe-van_bm.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/O.pbe-van_bm.UPF>
>
> Best Wishes,
> Sang-Hwan
>
>
> Department of Chemistry
> University of Houston
> 136 Fleming Building
> Houston, TX 77204-5003
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>
>


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