[ase-users] saxis in vasp calculator

Andrew Rosen rosen at u.northwestern.edu
Mon Dec 11 07:36:49 CET 2017


I just gave it a go and ran into the same issue you mentioned, for what
it's worth.

On Fri, Dec 8, 2017 at 4:30 PM Protik Das via ase-users <
ase-users at listserv.fysik.dtu.dk> wrote:

> Hi all,
>
> I am trying to set saxis keyword using the vasp calculator of ase. But
> unfortunately the INCAR file does not have the keyword. I tried giving a
> numpy array and a list as input but no luck.
>
> With the saxis in the calculator object, there is an empty line in the
> INCAR file which is not there without the keyword. I am using ASE 3.15.0
> with python 3.6.3.
>
> Any help regarding this will be really appreciated.
>
> --
> Protik Das,
> ECE Graduate Student,
> LATTE (http://latte.ece.ucr.edu <http://latte.ee.ucr.edu/>),
> University of California, Riverside.
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
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