[Wien] Address Errors?

[Michael Frotscher]

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Dear Dr. Blaha,

> However, if it is true that your system is setup properly as you wrote
> before, the only explanation would be some problematic input in case.in5
>
> How many points along x,y did you select ?

I modified case.in5 according to the example in the userguide to display the 
(100)-plane.

I do believe though that the problem must be somewhere else: when running the 
TiO2-example, I also get errors, in this case lapw1 is crashing, lapw1.error 
reads:
Cholesky INFO =          625
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.

So if my shell-parameters are fine and do not limit memory use, what else 
could it be?

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany


 
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