[Wien] labels
Gavin Abo
gsabo at crimson.ua.edu
Wed Jun 25 01:32:31 CEST 2014
I think that gives the numerical z values of the contour lines, where
the units of those values should depend on the case.in5 input (see
section "8.11.3 Input" in the Wien2k 13.1 usersguide
[http://www.wien2k.at/reg_user/textbooks/usersguide.pdf]).
As the userguide says, if the input is a density (case.clmsum or
case.clmval), then the units are e/a.u.^3 for ATU or e/angstrom^3 for ANG.
If the input is a potential (case.r2v, case.vcoul, or case.vtotal), then
units are Ry for ATU.
> Dears users: I would like to know what is the physical meaning of the
> "labels" on the plot of the electron density (when is useed the option
> "Contur-plot")
>
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