[Wien] Error in LAPW2

[vishal jain]

I'm not understand this is problem with structure or not? actually there
was a vacuum of 30 Ang and Thickness of Fe, Co, Al layers was ~31 Angstrom
fixed, thickness according to unit cell of Fe, Co and Al. and Fe, Co and Al
structure was prepared by w2web

The thin film structure was prepared by STRUCTEDITOR
Fe Thickness 11.46
Co Thickness 12.21 ang
Al Thickness 8.099 ang



On Tue, Jan 28, 2014 at 4:13 PM, Martin Kroeker <
martin at ruby.chemie.uni-freiburg.de> wrote:

> Try viewing that struct file in XCrysDen, Venus or whatever...
> What you have here is one long thin pillar with alternating
> thin layers of Fe,Co,Al and a huge gap between z=0.4 and z=.85
> If this is what you want, it does not surprise me that Wien is
> having some trouble with it.
> --
> Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
> c/o Prof.Dr. Caroline Roehr
> Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg
>
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