Hi dear all,
I have a molecule with two atoms and I want that these atoms can move freely in all directions but the distance between these two atoms doesnt change. What should I do? How can I define this constraint in VASP input files?
Thanks
Kambiz
defining a cons
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kambiz
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defining a cons
Last edited by kambiz on Tue Feb 01, 2011 3:39 am, edited 1 time in total.
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admin
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defining a cons
this feature is only included in the new code release vasp.5.2 only.
Last edited by admin on Wed Feb 02, 2011 1:44 pm, edited 1 time in total.