[Pw_forum] neb.x and -ndiag option

[Axel Kohlmeyer]

On Mon, Apr 16, 2012 at 4:18 PM, Giuseppe Mattioli
<giuseppe.mattioli at ism.cnr.it> wrote:
>
> Dear Paolo
> Was not sure. The calculation is horribly big, thus I asked before trying.

the reasonable thing to do then would be
to first run a (much) smaller test job.

axel.

> 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
>
>
>
>
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-- 
Dr. Axel Kohlmeyer
akohlmey at gmail.com  http://goo.gl/1wk0

College of Science and Technology
Temple University, Philadelphia PA, USA.