Dear Paolo,
thanks a lot for the reply.
No CRASH file is produced. I will try to recompile reducing the
optimization level. Maybe it helps.
Best regards,
Mauro.
2015-06-16 11:42 GMT+02:00 Paolo Giannozzi :
>
>
> On Mon, Jun 15, 2015 at 4:13 PM, Mauro Sgroi <
> maurofrancesco.sg...@gmail.com> wrot
On Mon, Jun 15, 2015 at 4:13 PM, Mauro Sgroi wrote:
> Inserting the cobalt atoms neb.x crashes during the calculation on the
> second image.
> No error is printed in the log but in the standard output I obtain:
>
> 2 2 INTERMEDIATE_IMAGE
> [t12node084:17231] 55 more processes
Dear All,
I'm trying to submit a NEB calculation on the Mn3/4Co1/4PO4 system to
calculate the Lithium energy barrier for diffusion. The baseline
calculation on MnPO4 went fine.
Inserting the cobalt atoms neb.x crashes during the calculation on the
second image.
No error is printed in the log but in
