[Pw_forum] Re: Ga 3d core electrons as valence electrons (fhi2upf)

Andrea Ferretti ferretti.andrea at unimore.it
Mon Sep 22 08:59:24 CEST 2003


dear all,
PPc.x is the old name of the code doing the conversion form
FHI to PWSCF
pseudopotential format....
at the moment (I think from the prevoius version) that code has
been integrated in the "fhi2upf.f90" converter you can find in the
directory upftools.

regards
andrea

-- 
Andrea Ferretti
INFM National Research Center on nanoStructures and bioSystems at Surfaces (S3)
Dipartimento di Fisica, Universita' di Modena e Reggio Emilia
Via Campi 213/A I-41100 Modena, Italy
Tel:     +39 059 2055283
Fax:     +39 059 367488
E-mail:  ferretti.andrea at unimore.it
URL:     http://www.nanoscience.unimo.it

On Mon, 22 Sep 2003, Lu Frederic wrote:

> Dear Dr. Ma and PWscf users,
>
> I have check all of PWscf after version 1.0, I can't find any information
> (include source codes and Makefile) with respect to PPc.x.
> Would you please provides more information in detail.
>
> By the way, I have done PP files using fhi98PP with no core correction
> included
>  in my previous work, and the result just you have seen.
>
> Thank you!
>
>
> Lu Fu-Fa, 09/22/2003
>
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