[CP2K-user] [CP2K:12150] Re: Merge Cube files

[Somil Gupta]

Thanks, Matt!

Cubecruncher allows subtraction but no  no addition unfortunately. I will
look up for the python scripts that you mentioned.
Also, the system I have there is no band gap.

Appreciate your help!
Somil


On Wed, 28 Aug 2019, 21:00 Matt W, <mattwa... at gmail.com> wrote:

> You can use cubecruncher utility, I think. There are other solutions
> (mainly python script) around to that are also recommended.
>
> The STM keyword in the print section will allow you to calculate total
> charge density from the band gap up to or down to an energy range.
>
> Matt
>
> On Wednesday, August 28, 2019 at 2:37:01 PM UTC+1, Somil Gupta wrote:
>>
>> Hi all,
>>
>> Could you please tell me if it is possible to merge .cube files for
>> different MO's?
>>
>> The actual task is to obtain the entire charge density within a given
>> energy range.
>>
>> Thank you
>> Somil
>>
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