[Wien] multiplicity

[Igor Djerdj]

Dear all,
I am dealing with the structure VO2, Z=8 and space group 87. In my structure there are V in 8h, O1 in 8h and O2 in 8h. General multiplicity of s. g. is 16. When I insert my data in structgen, the programe generates for instance for V 4 equivalent atoms (multiplicity 4), instead of 8. The same occured for oxygens. Then, when I plot the band structure for O2p, I have 24 bands instead of 48. When I visualise the structure with Crysden, everything is perfect, i.e. the structure looks like as it should be. I am using spin-polarized calculation, so I obtain two band structure for each spin. Where is the problem, if any?
Regards,
Igor
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