[Pw_forum] GIPAW pseudopotentials

[Davide Ceresoli]

On Thu, 14 Feb 2008, Josef Zwanziger wrote:

> Hello,
> I have been looking at the GIPAW modules in the 4.0cvs pre-release, and while
> I can compile and run the example without problem, it's not clear how to make
> pseudopotentials for GIPAW for other atoms. I notice that the given test
> pseudopotentials, for silicon for example, include blocks of GIPAW specific
> data, but I can't find any corresponding options in the ld1 input files or
> for that matter the ld1 source code that corresponds to these options. Also
> unclear is whether the GIPAW module as currently available works with
> non-norm-conserving data, or currently only with norm-conserving data. Any
> clarification would be helpful.
>
> thanks,
> Joe
>

I've generated them with an ad-hoc version of ld1, in June 2007.
Then, suddenly, the CVS version "diverged" and "conflicted"
with my version.

As soon as I'll some time, I'll try to merge my code, and put
it in the current CVS version.

Davide

--
+----------------------------------------------------------+
   Davide Ceresoli <ceresoli at sissa.it>
   Scuola Internazionale Superiore di Studi Avanzati (SISSA)
   via Beirut 2-4
   I-34014 Trieste, Italy
   Phone: +39-040-3787-448  Fax: +39-040-3787-528
   Mobile: +39-347-1001570
   Skype: dceresoli
   Homepage: http://people.sissa.it/~ceresoli
+----------------------------------------------------------+