EFIELD_CUBE around molecule

[Gary]

Hello again,

I am trying to find the the electric field above a planar molecule E(z). I 
thought that I had to use RESP, but I think what I am looking for is 
EFIELD_CUBE: 

*Controls the printing of cube files with electric field generated by the 
total density (electrons+ions). It is valid only for QS with GPW formalism 
.*

The question I have now is how do I use this volumetric file as input for 
MATLAB or Python, so that I could manipulate it? Also, the CUBE file seems 
to only be for a certain surface around the molecule. What if I want to 
make this surface larger, ie. increasing z? 

Thank you for your patience everyone!

Gary
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160708/a322b9da/attachment.htm>