Hello!
I am trying to make relax computation of some cluster using PWSCF 6.1 (svn rev.
13369) on JSCC RAS supercomputer.
I start relax with max_seconds determined, then it stops after reaching defined
time value, so I edit .in file and set restart_mode='restart' instead of
'from_scratch" and
Hi,
The structure is periodic in only z direction, I made a mistake saying its
periodic in 2 directions.
On Wed, Apr 27, 2011 at 12:28 PM, swapnil chandratre <
swapnil.chandratre at gmail.com> wrote:
> Hi Shruba,
>
> I think what you are suggesting is very close to my problem, I started
> using
Hi Shruba,
I think what you are suggesting is very close to my problem, I started using
espresso just a week back so I am not very familiar with it. I am sending
you the input file, Its a porous graphene ribbon, periodic in y and z
direction with some atoms deleted. I think the error may be
Dear Swapnil,
Its always better to send the input file here. Because
without your input its very difficult for anybody to understand whats going
wrong. From my experience I can suggest you one thing to check if your
supercell length along anyone of the axis having much high
I couldnt find anything pertaining to error 426.
On Mon, Apr 25, 2011 at 2:33 PM, Paolo Giannozzi wrote:
>
> On Apr 25, 2011, at 2:14 , swapnil chandratre wrote:
>
> > I get the following error for Graphene Ribbon with porosity, can
> > anyone help.
> >
> > from cdiaghg : error # 426
>
On Apr 25, 2011, at 2:14 , swapnil chandratre wrote:
> I get the following error for Graphene Ribbon with porosity, can
> anyone help.
>
> from cdiaghg : error # 426
> problems computing cholesky
what about searching the mailing list for "cholesky" ?
Hi,
I get the following error for Graphene Ribbon with porosity, can anyone
help.
from cdiaghg : error # 426
problems computing cholesky
--
Regards,
Swapnil Chandratre
Graduate Student
Dept. of Mechanical Engineering,
University of Houston,
Houston, TX
(M)-713-294-9546
