Input file causes irrzg error
Posted: Tue Nov 09, 2010 2:06 pm
Hi, I was trying to run a calculation on a wurzite ZnO 2x2x2 supercell (positron lifetime) when I get the following message:
Can someone help me?
Code: Select all
irrzg : ERROR -
irep= 16 not a divisor of nsym_used= 34
This usually indicates that the input symmetries do not form a group.
Action : check the input symmetries carefully do they form a group ? If they do, there is a code bug.Can someone help me?