[Wien] errors in lapwso

[Peter Blaha]

> I intend to do SO calculation and before that I have finished a regular 
> scf calculation. 
> 
> But the calculation crashed. Here is the error report:

> LAPWSO END
> forrtl: severe (64): input conversion error, unit 5, file 
> /home/bshao/wien2k/FeAl31/FeAl31.in2c
> Image              PC                Routine            Line       
>  Source             
> lapw2c             0000000000990E8D  Unknown               Unknown  Unknown
> lapw2c             000000000098F995  Unknown               Unknown  Unknown
> lapw2c             0000000000930199  Unknown               Unknown  Unknown
> lapw2c             00000000008ED0ED  Unknown               Unknown  Unknown
> lapw2c             00000000008EC93A  Unknown               Unknown  Unknown
> lapw2c             0000000000910F6E  Unknown               Unknown  Unknown
> lapw2c             000000000090EB27  Unknown               Unknown  Unknown
> lapw2c             0000000000489FEF  MAIN__                    215 


It tells you, where the problem is.
Did you initialize so using   initso_lapw   ?

Do you have a case.in2c file (not just case.in2) ?

Is the file correct ?
-- 

                                       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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