partial optimization

Queries about input and output files, running specific calculations, etc.


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giacomo giorgi
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partial optimization

#1 Post by giacomo giorgi » Fri Aug 20, 2010 3:26 am

dear all,
is it possible to constrain the lattice parameter optimization?
I mean, can I optimize a and b and "freeze" c?

Other codes give the possibility of doing it. So I just wonder if VASP too can do it

Best,
G
Last edited by giacomo giorgi on Fri Aug 20, 2010 3:26 am, edited 1 time in total.

forsdan
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partial optimization

#2 Post by forsdan » Sat Aug 21, 2010 10:28 am

Last edited by forsdan on Sat Aug 21, 2010 10:28 am, edited 1 time in total.

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