[Wien] Fermi + Syntax error

Gavin Abo gsabo at crimson.ua.edu
Tue Apr 15 19:21:04 CEST 2014


There is usually a more detailed message for 'FERMI - Error' in one of 
the *lapw2.error files:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02361.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08805.html

You checked all error files in the case directory (cat *.error), and 
they were empty?

On 4/15/2014 9:38 AM, Muhammad Sajjad wrote:
> Dear Wien2k Users
>
> Can you please pull me out of this error? Many times it is appearing 
> while performing Optimization calculations. The wien2k version is 12 
> and installed on fedora 17 64 bit. Lattice constant I used is 4.397 
> and it is ternary alloy with 25 % doping of a TM. The error message is
>
> ERROR status in optrnew438_vol_-25.0
> >   stop error
>
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> (standard_in) 1: syntax error
> FERMI - Error
>  LAPW1 END
>  LAPW1 END
>  LAPW0 END
> in cycle 8    ETEST: .1255452000000000   CTEST: .0760248
>  MIXER END
>  CORE  END
> True Regards
> M. Sajjad



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