Hi all!
I was wondering if anyone knows a way to constrain a particular bond length in VASP 4.6.36.
Thansk!
constrained minimization
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gjenness
constrained minimization
Last edited by gjenness on Thu Dec 01, 2011 3:00 am, edited 1 time in total.
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constrained minimization
Directly in vasp there are no constraints applicable to internal coordinates.
This can be done in combination with gadget code.
Contact Tomas Bucko (tomas.bucko@univie.ac.at) - the author of the code.
This can be done in combination with gadget code.
Contact Tomas Bucko (tomas.bucko@univie.ac.at) - the author of the code.
Last edited by admin on Thu Dec 01, 2011 2:37 pm, edited 1 time in total.