Dear Wien2k users, I am getting an error message like this while c/a optimization of a hexagonal system. I could not figure it out what it means ? Any suggestion will be appreciated.
Error in LAPW0 'SETFF1' - ifft too small in xcpot3 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT PARAMETERS IN XCPOT3 'SETFF1' - KKK= 0 0 30 'SETFF1' - IIx= 0 0 30 'SETFF1' - IFFT= 36 36 60 with sincere regards susanta -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101121/04cfa002/attachment.htm>