atible with the available resources you asked the resource/queue manager?
HTH
Giuseppe
Quoting Joe Page :
> Hi,
>
> I am sending this message as I am running into some issues when
> trying to perform a pw.x calculation.
>
> I am using a hybrid approach, with the flag input_dft
Hi,
I am sending this message as I am running into some issues when trying to
perform a pw.x calculation.
I am using a hybrid approach, with the flag input_dft = b3lpyv1r. The first SCF
calculation can be performed, however when it comes to introducing the hybrid
correction the program stops