[Pw_forum] symmetry changed in vc-relaxation

程迎春 yccheng.nju at gmail.com
Tue May 27 05:05:15 CEST 2008


Dear pwscf users:
       I performed vc-relaxation of SnO2 which has ibrav=6
sysmmetry(a=b!=c,cosab=cosbc=cosac=0). After the relaxation,the symmtry
changed(a=b!=c,cosab!=0,cosbc=cosac=0).
Is this the code bug?

-- 
Y. C. Cheng
Department of Phyics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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