[Wien] a serious problem about "symmetry" for antiferromagnetic CoO in wien2k calculation

[xinzheng]

Dear Peter and all,

Thanks a lot for your attention!!!

I followed your suggestion and selected an angle a little bit smaller and
larger than 90. But the symmetry still does not work and the error
information is still that"-3 missing".

 

Actually, a problem appears from the very beginning when I accepted the
structure file the program suggested. An error information "Error -
incorrect space group symbol" appeared at that time. The space group
calculated by sgroup is 12c2/m. Then I do "nn" and "sgroup", it is still
fine. But for "symmetry", I was told "-3 missing".  

 

Thanks a lot for your patience!!!

 

Have a nice day!



Sincere

Xinzheng

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