[Pw_forum] potential parameter

Sohail Ahmad sohailphysics at yahoo.co.in
Sun Dec 19 09:34:23 CET 2010


Dear pwscf users
 
Is there anyone who is also interested in Classical Molecular Dynamics Simulation
 
Pls explain how to optimise the potential parameters,lets say Tersoff Potential for ZnS
Any code (using C/C++) or link explaining this
 
Thanks in advance
 

Sohail
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