Dear Sir
I am calculating phonon of rare-earth material using LDA pseudo. After 10 min., it stooped with log message.
sphereboundary: BUG -
iloop,igb,mgb= 2 69 68
about to overwrite gbound.
Action : contact ABINIT group.
Please suggest me, why it happens.
Best Regards
Venu
Search found 1 match
- Tue Oct 04, 2011 9:41 am
- Forum: Response calculations
- Topic: errron in phonon calculation
- Replies: 0
- Views: 1730