[Pw_forum] neb.x and -ndiag option

[Giuseppe Mattioli]

Dear Paolo
Was not sure. The calculation is horribly big, thus I asked before trying.
I will report if something goes wrong.
Thanks
Giuseppe

Quoting Paolo Giannozzi <giannozz at democritos.it>:

>
> On Apr 16, 2012, at 22:05 , Giuseppe Mattioli wrote:
>
>> Is it possible to make the neb.x wrapper able to "pass the -ndiag
>> option" to the pw.x engine?
>
> doesn't it work? neb.x -ndiag N ...
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222