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How to fix the bond length ?

Posted: Thu Aug 31, 2006 3:02 am
by dwyuan
Dear all,

I want to calculate a reaction path with fixing bond length method.
How to do it in VASP code?

Thanks !

Posted: Thu Aug 31, 2006 4:52 am
by graeme
There is just no support for fixing bond lengths in vasp. You can only constrain the motion of atoms along the lattice vectors, through the selective dynamics flags in the poscar file.