Hi,
When calculating partial DOS, I choose new z and x axis. However, my new
axis are not quite perpendicular to each other. I got a warning saying that
small non-orthogonality is corrected. Where can I find the corrected axis?
Thanks a lot.
Best
Yundi
-- next part --
An
Would you mind looking into the case.outputq file ! (where else
would one look).
Am 08.11.2011 11:11, schrieb Yundi Quan:
Hi,
When calculating partial DOS, I choose new z and x axis. However, my new axis
are not quite perpendicular to each other. I got a warning saying that small
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