[Pw_forum] PP Reconstruction
carsten.fortmann at quantumwise.com
Tue May 5 08:56:43 CEST 2015
if the pseudopotential was originally generated with the espresso
pseudopotential generator, the input file should be included in the upf
file. you should be able to copy and paste that input file into a new
file called e.g. input.in and run ld1.x on it as
ld1.x < input.in
that will re-generate the pseudopotential. you can then change the input
file according to your needs, i.e. make it gipaw compatible.
if this does not help you or you don't feel comfortable performing the
required steps, feel free to post the upf you are trying to "convert"
here and we'll try to help you from there.
On 05/01/2015 11:05 AM, Youssef Aharbil wrote:
> Dear Quantum espresso,
> Is there any way to reconstruct a pseupotential file based on other one
> (both new and old in upf format and for same xc and spicies of course) , My
> purpuse is to reuse the same potentials in order that make it gipaw
> Thanks in advance.
> Youssef Aharbil,
> Laboratory of Physics and Chemistry of Materials
> Faculty of sciences Ben msik, Casablanca
> Pw_forum mailing list
> Pw_forum at pwscf.org
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