On Tue, 27 May 2008, wrote: YCC> Dear pwscf users: YCC> I performed vc-relaxation of SnO2 which has ibrav=6 YCC> sysmmetry(a=b!=c,cosab=cosbc=cosac=0). After the relaxation,the symmtry YCC> changed(a=b!=c,cosab!=0,cosbc=cosac=0). YCC> Is this the code bug?
or with your input parameters (is the stress tensor converged?), the symmetry is not stable? axel. YCC> YCC> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
