[Wien] eigenvectors not generated in output1 after runphonon

Chandrika rcais at cal3.vsnl.net.in
Tue Feb 14 05:46:05 CET 2006


Hello Wien users, 
I posted the following question to the mailing list but did not get any answer. I repeat here with some additional information:
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?
I would like to add that the .output1 does not complete with SiC222. Eigenvalues are not generated. I tried to post the case_1.output1 file but it was not accepted by the Wien server.
Your suggestions would be most appreciated. since I have been stuck with this for long
Thank you in anticipation
Chandrika
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