[Wien] Error after lstart

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Aug 20 08:04:54 CEST 2003


> I have one question regarding the initialization. It occurs the following
> error message after lstart:
>
> error:  *.inst
> not consistent with Z
>
> edit  *.inst and rerun lstart afterwards or change Z in StructGen.
>
> Why  I have to change Z?

This is a message from w2web/initialization.

I expect you put a "wrong" name for an element like:
"na" instead of "Na", or "O1" instead of "O 1",
thus structgen could not dedect which element you
entered and could not set the appropriate Z
automatically.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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