[Wien] Linear constraint and MSR1a

[Laurence Marks]

If you mean fix atom(s), yes. General linear constraints, no. There is some
code to do this with PORT, never used it (& I am on travel).

---
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 Oct 14, 2015 19:21, "Luis Ogando" <lcodacal at gmail.com> wrote:

> Dear Prof. Marks and Wien2k community,
>
>    Is it possible to use linear constraints for the atomic positions with
> MSR1a ?
>    All the best,
>                   Luis
>
>
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