[Pw_forum] Displaying charge density difference

[Axel Kohlmeyer]

On Tue, Aug 25, 2015 at 10:33 AM, Ozan Dernek <ozandernek at gmail.com> wrote:

> Hi,
> I want to display the difference of charge densities of a bimetallic
> structure by using VMD.
>

​this appears to be a VMD question and thus would be off-topic here, but
should be posted to the VMD mailing list.​


> But the .cube file has only the charge density information. Is it possible
> to obtain charge density difference by using weight flag or should I do
> separate calculations ? (For both cases an explanation about how to do them
> will be much appreciated.)
>

​how can you compute a density difference, if you have only a density?
what weight flag where and how would it be applied?

it is difficult to explain something, if you provide incomplete information.

axel.​

​p.s.: you already tried your luck elsewhere and there is a pattern that
you don't describe your problems very well, which hints at a lack of
fundamental understanding. you are thus strongly advised to discuss this
with your PI/adviser/supervisor or ​(senior) colleagues. mailing lists can
provide advice to solve technical problems, but it is required that you can
formulate your problem well. if not, it will be difficult to give
meaningful advice, as any technically focused advice will likely exceed
your understanding.



>
> Cheers,
> Ozan
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>



-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.
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