[Wien] SCF cycle - mixer not executing

[Laurence Marks]

mixer not found means literally that. Probably you did not compile it correctly.

On Tue, Jun 11, 2013 at 1:57 PM, andrew tan <andtan91 at gmail.com> wrote:
> Hello all, I am a new Wien2k user and I'm having some problems with running
> the SCF cycle for TiC (I am following the user guide for this calculation.)
> I am running version 11.1 on Ubuntu 12.04 LTS compiling with gfortran.
> Checking the STDOUT I have the following:
>
> hup: Command not found.
>
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP  LAPW2 END
> STOP  CORE  END
> STOP DSTART ENDS
> /home/user/Desktop/Wien2k/mixer: Command not found.
>
>>   stop error
>
> I've checked the error files and they are all empty and it seems that mixer
> doesn't generate any output files (.error, .scfm, .outputm). When I look at
> the final .scf file it says that only one iteration was run.
>
> Other flags I've found are when checking TiC.clmval, TiC.clmsum, TiC.energy,
> TiC.output1, TiC.output2 and TiC.scf . The output, scf and energy files
> contain constant energies which are not consistent with the example files
> for TiC. I'm not sure if this is because the cycle is not reiterating
> because of mixer or is failing because of lapw1 or if the problem is
> elsewhere. Any help is appreciated.
>
>
> Hopefully someone has resolved this problem. Thank you.



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi