[Pw_forum] query on e-ph tutorial
Ajit Vallabhaneni
avallabh at purdue.edu
Mon Jan 30 15:47:52 CET 2012
Dear Paolo,
Sorry for sending my response to your personal email. I didn't see it before.Here is my question.
I tried example 7 with the same parameters given. But the al.elph.in (with nq1=nq2=nq3=4) was terminated with the following message:
Band Structure Calculation
Davidson diagonalization with overlap
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cdiaghg : error # 19
diagonalization (ZHEGV*) failed
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Is this because of the small mesh size (16x16x16)?
Thanks
Ajit
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