[Wien] density plot pitfall in Quick Start guide

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Thu Sep 9 09:00:10 CEST 2004


> I'm helping a new user get started with WIEN2k. I just spent over an
> hour trying to figure out why electron density plots don't work if one
> follows the "Quick Start" section of the users' guide.
>
> Problem is the comment only line following this bit of text:
>
> "Edit TiC.in5 choose the offered template input file. To select the
> (100) plane for plotting specify the following input:"
>
> With the comment line:
>
>                # similar to x,y length
>
> included in TiC.in5, as per instructions in UG, lapw5 crashes. Without
> the comment line it works fine. Especially for sake of new users, it
> would be good to have this corrected.

This is a good suggestion. I'll remove that line.

                                      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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