'vc-relax', not 'vc_relax'
P.
On Thu, 2014-03-27 at 07:28 -0700, David Foster wrote:
> Dear Users,
> I have relaxed a bulk of Pd with "calculation=relax", but I get error when I
> change it with
>
> "calculation=vc-relax". I added the card needed to the input. I have attached
> input and
>
>
Dear David,
as the output says:
calculation 'vc_relax' not allowed
And indeed vc_relax is not a valid calculation type. The valid string
you have to insert is 'vc-relax'.
Best,
Giovanni
On 03/27/2014 03:28 PM, David Foster wrote:
> Dear Users,
> I have relaxed a bulk of Pd with
Dear David,
'vc-relax' vs 'vc_relax' ?
Greetings,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
Institut f?r Chemie der Universit?t Z?rich, CH-8057 Z?rich
Dear Users,
I have relaxed a bulk of Pd with "calculation=relax", but I get error when I
change it with
"calculation=vc-relax". I added the card needed to the input. I have attached
input and
its output containing the error.
It will be appreciated if anyone help.
Regards
David Foster
