[Pw_forum] Is there a tutorial for generating a PAW pseudopotential

[Lorenzo Paulatto]

On Mon, 26 Jul 2010 05:13:24 +0200, Haowei Peng <haoweipeng at gmail.com>  
wrote:
> I am looking for a tutorial about generating a PAW pseudopotential, any
> comments?

Dear Haowei Peng,
unfortunately, there is no such tutorial. However, generating a PAW  
dataset is not really harder than generating an ultrasoft pseudopotential,  
if you can do the latter you can do the former too. You can take the input  
files in atomic_doc/paw_library/input as starting examples, start from an  
element that is "similar" to the one you wish to generate. If encounter  
any specific problem, please ask on the list for further help.

best regards



> Thanks a lot.
>


-- 
Lorenzo Paulatto
post-doc @ IMPMC/UPMC - Université Paris 6
phone: +33 (0)1 44 27 74 89
www:   http://www-int.impmc.upmc.fr/~paulatto/

previously (take note of the change!):
phd student @ SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
www:   http://people.sissa.it/~paulatto/