[Wien] Problem with density plot of silicon

[Peter Blaha]

> I am tryingto calculate the silicon bulk. But now I met one problem. When I
> plot
> the charge density, it gave me an unreliable picture(attached in this mail).
> Please help me find what happen. Thank you very much.
>
> The struct file is attached, too. There is nothing special, only select 'no',
> after runing sgroup, due to no WARNNING. This is a simple calculation, only for
> energy convergence. The input file of density plot is also in the attachment.

Try to underswtand where the Si atoms are. They are certainly not in the
plane where you calculated the density.

Use xcrysden when you have problems to "visualize" your structure.

PS: Also for the recent bandstructure question: Use xcrysden

                                      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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