[Wien] vector file

Laurence Marks laurence.marks at gmail.com
Wed Nov 18 03:46:57 CET 2015


If you are trying to converge a calculation with many k-points, there is
nothing you can do.

If you are just trying to run lapw1 you can edit the definition file so
instead of going to case.vector it goes to /dev/null, for instance. (Don't
set SCRATCH as /dev/null, that is a sin.)

x lapw1 -d
edit lapw1.def
lapw1 lapw1.def

Be aware that you won't be able to do much after this, all you will have is
the case.scf1 and output files which you will need to edit to find what you
want.

Or buy a USB drive.

---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Nov 17, 2015 20:31, "Yundi Quan" <quanyundi at gmail.com> wrote:

> Is it possible to turn off writing the vector file in the scf run? I'm
> trying to do a calculation with very fine k-mesh. But the disk space of my
> computer is limited.
>
>
> Thanks.
>
>
>
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