[Wien] vector file

[Laurence Marks]

N.B., you are probably using a unreasonable number k-points and
unreasonable convergence parameters.. Changes in the energy with k-points
of 0.1mRyd have no significance.

---
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 20:47, "Laurence Marks" <laurence.marks at gmail.com> wrote:

> 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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