[CPMD-list] Cell optimization / symmetry

BOUYER Frédéric 153746 FB153746 at atil.cea.fr
Mon Apr 5 15:30:00 CEST 2004


Dear all,
 
Is the keyword CELL VECTORS (given in &SYSTEM) compatible with the STEEPEST
DESCENT CELL (given in &CPMD) ?
 
One more question : is the STEEPEST DESCENT CELL keyword works with SYMMETRY
?
 
Many thanks in advance for any reply about these keywords.
 
Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://cpmd.org/pipermail/cpmd-list/attachments/20040405/6d14ae0b/attachment.html 


More information about the CPMD-list mailing list