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?
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cyc99
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Can I control each cell parameter during cell optimization?
Last edited by cyc99 on Mon Oct 17, 2011 1:22 pm, edited 1 time in total.
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Dr Vitaly V. G. Chaban
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Can I control each cell parameter during cell optimization?
As far as I know, ISIF=-7 optimizes all parameters at once.
Last edited by Dr Vitaly V. G. Chaban on Tue Oct 25, 2011 4:47 am, edited 1 time in total.