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

Eesha Sanjay Andharia esandhar at uark.edu
Tue Mar 24 20:08:16 CET 2020


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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