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<DIV><FONT face=Arial size=2>Dear all,</FONT></DIV>
<DIV><FONT face=Arial size=2>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?</FONT></DIV>
<DIV><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Igor</FONT></DIV>
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