[Pw_forum] Error in output in calculating stress

[Paolo Giannozzi]

On Jul 7, 2009, at 13:06 , Dimpy Sharma wrote:

> also I want to ask one more thing, will there be any
> difference in my output result, if instead of atomic
> coordinates, I use fractional coordinates?

you mean: atomic coordinates in crystal axis?
there is no difference, as long as they correspond
to the same system

P.
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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