[ase-users] Read Charge density of gaussian Cube file

[fabian]

Dear all,

I want to plot slices of the CDD stored in a cube file. Unfortunately i
have problems reading the files
with ase.

I can read the atom coordinates....

/from ase.io import read, write//
//from ase.io.cube import read_cube_data/

/
/

/atoms = read('file', format="cube") # this works//
//
//cube = read_cube_data('file')# this gives an error/


but i get an error if i use read_cube_data:

TypeError: 'float' object cannot be interpreted as an index


Any help would be appreciated.


On a side note ... if anybody could point me to relevant scripts were
this has already been
done this would be really appreciated. Especially since i am unsure how
to proceed if i want to
create slices in arbitrary directions.


Thank you in advance


fabian


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