[Wien] IOT Trap___SCF error

[Peter Blaha]

Hi,

The first kind of error may come from your Unix, since your grep command 
does not seem to understand the  "-w" option used in lapw1para and 
lapw2para.

You may try to fix this by editing these two scripts and putting:

"grep -e ^$m\("   instead of "grep -w"

> Illegal option -- w
> Usage: grep [-E|-F][-c|-l|-q][-xhbnsviyC] -e pattern_list [-f
> pattern_file] [file ...]
>  STOP LAPW2 - FERMI; weighs written
>  STOP
>  STOP  LAPW2 END


Anyway, I don't think that this is causing the second, serious error in 
mixer. From the info below I cannot tell what causes this problem.

> lib-4095 : UNRECOVERABLE library error
> 
> Encountered during a list-directed WRITE to unit 22
> Fortran unit 22 is connected to a sequential formatted text file:
>   "2H-TaS2.scf"
> IOT Trap
> 
> [1]    Exit 9                 run_lapw -cc 0.0001 -i 100 -p
> 
>   The program stops at this point. This is the content of the error file
> 'mixer.error'.
> 
>> Error in MIXER


                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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