[Wien] Linear constraint and MSR1a

[Luis Ogando]

   Thank you !
          Luis


2015-10-14 16:20 GMT-03:00 Laurence Marks <laurence.marks at gmail.com>:

> 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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