[Octopus-users] piecewise user-defined potentials

[Alberto Castro]

Hi,

In the inp file, you can use the "step" function, which is maybe
enough to create your piecewise function? Take a look, for example, at
testsuite/optimal_control/04-box.01-ground_state.inp

Alberto.

On Tue, 12 May 2009, Pavel Redkin wrote:

>
> Dear Octopus users!
> Is it possible to create a user-defined potential as a piecewise function? Which expressions should be used then? Is there a possibility of creating a potential from external file point by point  than writing a pseudopotential file?
> Thank you for attention. Pavel Redkin.
>
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> Octopus-users at tddft.org
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>

======================================================================
Dr. Alberto Castro

Institut fur Theoretisch Physik, Freie Universitat Berlin.
Arnimallee, 14, Berlin 14195 (Deutschland)

Tel:   +49 30 83853028
Fax:   +49 30 83855258
skype: alberto_c_barrigon
email: alberto at physik.fu-berlin.de
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