[Wien] run phonon stops after lapw0

Chandrika rcais at cal3.vsnl.net.in
Wed Feb 8 08:35:26 CET 2006


Hello Wien users,
I generated a supercell of SiC (2x2x2, 64 atoms) using Phonon and successfully ran init_phonon_lapw for it. However,the next stage, which is run_phonon stops after lapw0 and the error message reads 'error in lapw1'.
I have tried this with a smaller supercell (1x1x1, 8 atoms) keeping allother inputs same and could successfully complete run phonon and analyse phonon. 
So why am I having a problem with this larger cell?
If there is any other information I could give to locate the error, let me know.
Please help!
Thank you in anticipation
Chandrika
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060208/460a1858/attachment.html


More information about the Wien mailing list