[Pw_forum] symmetry changed in vc-relaxation

[Axel Kohlmeyer]

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> 

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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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