[Pw_forum] (no subject)

Raghani Pushpa pushpa at jncasr.ac.in
Sat Mar 13 14:37:09 CET 2004


Dear users,
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? 

thanks,
pushpa



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