[Wien] mini with constraints?

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat May 19 14:54:53 CEST 2018


I have not used them for a couple of years now, but they should of 
course work using   min_lapw.

They are not yet implemented in   run -min

Am 18.05.2018 um 22:56 schrieb Laurence Marks:
> Dear All,
> 
> Has anyone used extensively the constraint options in mini (I have not, 
> and did not write it). I am not 100% certain that it will always work.
> 
> -- 
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what 
> nobody else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu <http://www.numis.northwestern.edu> ; 
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> 
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