Difference in Electron density

Pankaj Mishra pkmis... at gmail.com
Mon Aug 18 15:00:21 UTC 2014

Dear Marcella,

Thank you so much. I will try this. 

On Friday, 15 August 2014 22:49:43 UTC+2, Marcella Iannuzzi wrote:
> Hi Pankaj Mishra,
> you can easily find information on the format of cube files on the web.
> Anyway, for simple operations with cube files, you can use the 
> cubecruncher program, which is
> distributed with cp2k. It can be found in cp2k/tools/cubecruncher.
> Just compile it and run without any input to get some hints on how to use 
> it and on the available options.
> Regards
> Marcella
> On Friday, August 15, 2014 4:51:59 PM UTC+2, Pankaj Mishra wrote:
>> Dear All,
>> I am calculating the electron density which is written in the cube file. 
>> I can load in vmd and visualize.  I want to take the difference between two 
>> different cube files. I am not very familiar with cube files. So i am not 
>> clear about how to take the
>> difference between two cube files. Is there any way to visualize the 
>> difference in VMD or any other software?  If someone can explain how to 
>> take difference, it will be really helpful.
>> Thank you so much
>> with regards
>> Pankaj Mishra 
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