[Wien] QTL-B VALUE

[Torsten Andersen]

Did you run it in parallel? Then you would have nonempty test.energy_1, 
etc.,

And if you have a spin-polarised case, you need to use -up or -dn when 
you call lapw2, and the corresponding files would be test.energy[up|dn].

Otherwise, it should be there. It is on my AIX systems - and, btw., 
Stefaan, it is usually not in the scratch directory...

If it still doesn't appear, you should probably check the compilation - 
update compilers, libraries, etc.

Best regards,
Torsten.

arnaud.vasseur at caramail.com wrote:
> Dear wien users,
> I am running WIEN2K under AIX system; I have performed my scf calculation without problem and my system converges well. When I run the command x lapw2 –qtl I get the following message:
> 
> 1525-001 The READ statement on the file test.energy cannot be completed because the end of the file was reached. The programme will stop. 
> 
> I check my test.energy file and I found it empty!!!!
> I am puzzled that this file is empty in spite of my calculation ended successfully.
> Is there any suggestion? 
>  
> 
> Thank you. 
> 
> A. vasseur
> 

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/