[QE-users] Finding a ready to use Norm-Conserving pseudo-potential files for In and Se

[Paolo Giannozzi]

Several other pseudopotential tables are listed in the column at the left
of this page:
   http://www.quantum-espresso.org/pseudopotentials
More information can be found in the topmost link on the left (
http://www.quantum-espresso.org/pseudopotentials/about).
The directory upftools/ contains several converters from other formats to
UPF

Paolo

On Wed, Mar 25, 2020 at 8:22 AM Eesha Sanjay Andharia <esandhar at uark.edu>
wrote:

> Hi,
>   I am trying run a basic scf calculation using QE. However, I am going to
> perform a GW calculation on my DFT results using BerkeleyGW code, for which
> I need to use only  anorm-conserving PP file.
> I tried the following 2 things:
> 1) I tried to search from the QE PP library, but could not find any
> NOrm-conserving PP files for either of In or Se.
> 2) So, I went to Abinit PP directory where I found Norm-conserving PP
> files for both IN and Se. However, when I try to run my job, it crashes and
> gives the following error:
> file ./In.UPF not readable
>
> So, is there a way to find Norm-conserving PP files online?
> If not, do I need to do some post-processing or changes in the PP files I
> got from Abinit such that it can be made readable for QE?
>
> (PFA bot In and Se PP files with this email)
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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