[Pw_forum] about the new espresso-3.2.3 and the variable cell BOMD

Paolo Giannozzi giannozz at nest.sns.it
Mon Nov 12 22:33:38 CET 2007


On Nov 11, 2007, at 13:43 , Wei Zhou wrote:

> [...] how to set the variable cell, Is there any example
> about the variable cell BOMD ?

in examples/VCSexample there is an example for
variable-cell optimization (not dynamics)

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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