?Dear All,
I know this is a very basic question but I would like to know which
example; Example03 or VCSexample should be used to optimize any structure.
Example03 gives the optimized positions but not the cell dimensions while
VCSexample(runs for more than a day) gives both the optimized cell dimensions
and cell positions (but not close to the experimental ). Please do help. Thank
you in advance.
SATHYA SHEELA.S
Grad. Student
Department of Physics
National Institute of Technology
Tiruchirapalli - 620015
India
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