[xcrysden] forces in crystal

Scott Beckman xcrysden@democritos.it
Fri, 1 Sep 2006 15:53:38 -0500


Hi,

I'm writing a set of script too convert output from PARSEC 
(http://www.ices.utexas.edu/parsec/) to XSF format.

It is unclear to me when periodic boundaries are employed if the forces 
in primvec are given in absolute coordinate or given relative to the 
primitive lattice vectors.

Thank you,
Scott