Unfortunately it is not possible to work this out using what you sent.
1) cat *.error
If any of the files except mixer.error contain information, that means that
the error occurred there. You will have to analyze what went wrong.
2) Recompile mixer with -traceback (for ifort) added. I recommend that you
always use it. Then retry.
N.B. I noticed that for BTFO you used -ec 0.0000001 -cc 0.00001. This level
of convergence is not meaningful. In addition, you are using a low symmetry
structure. Did you accept all the changes during init_lapw or ignore them?
If you ignored them then you struct file may be wrong.
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
On Sep 22, 2016 07:50, "Paresh Chandra Rout" <pareshchan...@iiserb.ac.in>
> Dear w2k users and developers,
> I am facing an error as follows
> error: command WIEN2k_14.2_TGZ/mixer mixer.def failed
> > stop error
> I did not encounter this error before. All my calculation was running fine
> with this version of wien2k . I tried to run single point calculation on
> different system, but in all cases I am getting the same error as above
> just after the scf cycle-3. I have attached my case.dayfile for different
> system. Any help to resolve this issue would be highly appreciated .
> Kind Regards,
> Paresh Chandra Rout
> Research Scholar
> Indian institute of Science Education and Research Bhopal
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