[Pw_forum] error in pseudopotential generation

[Lorenzo Paulatto]

On Tue, 24 Aug 2010 15:14:23 +0200, mohaddeseh abbasnejad  
<m.abbasnejad at gmail.com> wrote:
>      Two wavefunctions for the same l
> [...]
>         file_pseudopw='Ti.ncpp',


Dear Mohaddeseh,
the old ncpp format only supports one wavefunctions per angular momentum,  
which is incompatible with your semi-core configuration. You will have to  
use the UPF format: just change the pseudopotential file name to something  
ending in .UPF, i.e. Ti.ncpp.UPF.

best regards

-- 
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/