[Wien] STM images

[Rossitza.Pentcheva at lrz.uni-muenchen.de]

> Dear Wien users
>
> For the calculation of STM images, the joint use of lapw2 and lapw5 has
> been previously suggested on the mailing list
> (http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-September/000693.html).
> Although I obtained density plots for the occupied states, I am unable to
> get density plots for the empty states. When I changed naively the emin
> variable in the case.in2 file to a value above the Fermi level, the
> resulting case.clmval and later case.rho files contain only zeros. Does
> anybody know how to create empty state charge density plots (as for e.g.
> in PRB 68, 085404)
>
you always have to give the lower limit first and then the upper. In case
you want to plot the unoccupied states your lower limit (emin) is Ef and
your upper one is Ef+U. So you need to exchange these numbers in your
*in2.
Best regards,
Rossitza Pentcheva
> Thanks in advance
>
> Corsin Battaglia_______________________________________________
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