[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 the .in5-file according to the userguide, which states for choosing 
the (100)-plane:

- -1 -1 0 4     # origin of plot (x,y,z,denominator)
- -1  3 0 4     # x-end of plot
 3 -1 0 4     # y-end of plot
3 2 3         # x,y,z number of shells
100 100       # number of x and y points, ratio should be  
              # similar to x,y length 

But I fear my problem might be located somewhere else, for the calculation of 
the TiO2-sample already fails during the scf-cycle when running lapw1:
Cholesky INFO =          625
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.

Needless to say, when using the precompiled binaries lapw1 gives a segfault.

So if shell limitations such as the stacksize don't apply, what else could it 
be? I daresay the system itself is fine, as I installed it from scratch the 
day before I installed Wien.

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