[Wien] TELNES2 failure

[Per Persson]

Dear All!

 

I recently installed the W2K on a computer here and I have performed a few
calculations. The SCF cycle is converging fine and I have managed to
duplicate published results on my materials. I can calculate DOS, XSPEC etc.
just fine but when I come to my real concern: TELNES, the calculation fails.


 

After giving the inputs and a successful SCF cycle, I use "x lapw2 -qtl"
which gives the following output:

x lapw2 -qtl

145.265u 2.660s 2:33.84 96.1%  0+0k 0+0io 1pf+0w

 

I then continue with "x telnes2" which gives:

STOP: ERRFLG - couldn't open errorflag-file.

0.001u 0.013s 0:21.37 0.0%       0+0k 0+0io 6pf+0w

 

The telnes2.error file contains only "Error in TELNES2 "

 

As far as I know the TELNES module has been successfully compiled.

 

Do you have any idea why this fails?

 

Best regards

 

Per

 

 

 

*******************************

Per Persson, Ph.D.

Associate Professor

Thin Film Physics Division

Department of Physics Chemistry and Biology

Linköpings Universitet

SE-581 83

 

Tel: +46 13 281248

Fax: +46 13 288918

www.ifm.liu.se/thinfilm

 

 

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