[Pw_forum] split with the ultrasoft pseudopotential

Eyvaz Isaev eyvaz_isaev at yahoo.com
Fri Mar 14 12:51:49 CET 2003


Dear Paolo,

Because of that I am interesed in development of the
code I will try to do this convertor. 

Regards,
Eyvaz.

--- Paolo Giannozzi <giannozz at nest.sns.it> wrote:
> Hi
> 
> > How can I transform the Troullier-Martin
> pseudopotentials
> > on
> http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html
> > to pwscf format?
> 
> there are converters from various formats and
> templates
> to add more in upftools/, but not for that format.
> Any 
> volunteers? it is not that difficult.
> 
> There is ongoing work to establish a standard
> pseudopotential
> format, but it will take some time before everybody
> agrees, and
> even more to implement it. 
> 
> Paolo
> -- 
> Paolo Giannozzi             e-mail: 
> giannozz at nest.sns.it
> Scuola Normale Superiore    Phone:   +39/050509412
> Piazza dei Cavalieri 7      Fax:     +39/050509417,
> 050563513     
> I-56126 Pisa, Italy         Office:  Lab. NEST, Via
> della Faggiola 19
> 
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