Yes, you can use the combination of ncpp and uspp,
? but the kinetic energy cutoff = max{ecut_ncpp, ecut_uspp?
}??, and you know ecut _ncpp is large.?
? Accordingly, ecutrho has to be set.
regards,
SK?
On Wed, Feb 5, 2014 at 12:24 PM, Peram sreenivasa reddy <
peramsreenivas at gmail.com> wrote:
> Dear Pwscf users and developers,
>
> In Quantum espresso i can get the same type Norm-Conserving
> pseodopotentials for all the elements like case.pbe-mt_fhi.UPF. But in the
> case of ultra soft pseudo potentials it is different. For example if my
> system consist of Nb and Sn elements, i can get
> Nb.pbe-nsp-van.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Nb.pbe-nsp-van.UPF>for
> Nb element and
> Sn.pbe-dn-rrkjus_psl.0.2.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Sn.pbe-dn-rrkjus_psl.0.2.UPF>,
> Sn.rel-pbe-dn-rrkjus_psl.0.2.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/Sn.rel-pbe-dn-rrkjus_psl.0.2.UPF>for
> Sn element. Different methods are used in developing these potentials.
>
> Now my question is, can i use these potentials in my
> calculations?. If i use one NC and one ultrasoft what will happen?.
>
> Thank you in advance...
>
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