[gpaw-users] visualizing the density

Ask Hjorth Larsen askhl at fysik.dtu.dk
Sun Apr 10 15:55:04 CEST 2011


Hi

On Sun, 10 Apr 2011, Nichols A. Romero wrote:

> Hi,
>
> What is typical done for visualizing quantities on the grid? (e.g. the charge
> density)

It's pretty normal to save it to a cube file and run e.g. jmol or vmd.

ase.io.write('filename.cube', atoms, data=big_array)

Regards
Ask


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