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

[Paolo Giannozzi]

(the files you sent are not in UPF format, by the way)

On Wed, Mar 25, 2020 at 8:26 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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)
>>
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> 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
>
>

-- 
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200325/20f8012c/attachment.html>