[Wien] struct2cif

[Peter Blaha]

Most likely the same error as when you tried to run   x nn.

Your format of case.struct is wrong (invalid).

Note, it is a very strict format where each number must be placed in the correct column.
Blanks are significant.

Am 25.04.2011 13:10, schrieb Nirpendra Singh:
> Dear wien2k users
>                                I have a problem in converting structfile to cif file using struct2cif script. Have somebody faced the same problem before?
>
>
> forrtl: severe (66): output statement overflows record, unit -5, file Internal Formatted Write
> Image              PC                Routine            Line        Source
> struct2cif         000000000049CCFD  Unknown               Unknown  Unknown
> struct2cif         000000000049B805  Unknown               Unknown  Unknown
> struct2cif         000000000044A5C0  Unknown               Unknown  Unknown
> struct2cif         000000000040BD4F  Unknown               Unknown  Unknown
> struct2cif         000000000040B582  Unknown               Unknown  Unknown
> struct2cif         00000000004348DB  Unknown               Unknown  Unknown
> struct2cif         0000000000432212  Unknown               Unknown  Unknown
> struct2cif         00000000004039FA  MAIN__                     62  struct2cif.f
> struct2cif         000000000040349C  Unknown               Unknown  Unknown
> libc.so.6          0000003C23A1EA4D  Unknown               Unknown  Unknown
> struct2cif         0000000000403399  Unknown               Unknown  Unknown
>
>
> Thanks
>
> Best
> nsingh
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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