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Can I control each cell parameter during cell optimization?

Posted: Mon Oct 17, 2011 1:22 pm

by cyc99

I want to relax a specific cell parameter (among x,y,z,alpha,beta,gamma) during cell optimization.

Can I do that?

Can I control each cell parameter during cell optimization?

Posted: Tue Oct 25, 2011 4:47 am

by Dr Vitaly V. G. Chaban

As far as I know, ISIF=-7 optimizes all parameters at once.