[Pw_forum] (no subject)
pushpa at jncasr.ac.in
Sat Mar 13 14:37:09 CET 2004
I was doing the phonon calculations on bulk alpha-gallium at gamma point.
there are 8 atoms in the unit cell and the program achieves the self
consistency for all the 24 irreps but at the end 24th irrep, it says
'Found additional translation: -0.5000 0.0000 -0.5000' and the
program gets killed. and it doesn't find the frequencies and eigenvectors.
what could be the problem for this?
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