[Wien] Unit in struct file

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Wed Jan 6 18:02:59 CET 2010


> When constructing a case.struct file using w2web, the lattice constants 
> entered using the unit of Angstrom will be converted Bohr in the saved 
> file, but the label above the lattice constant in case.struct file is 
> kept as "unit=ang".  Is this intentional?

Yes, it is. This label is only meant to be read by w2web, in order to 
display the lattice constants *in w2web* in the specified units.

Stefaan


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