[gpaw-users] The format of GPAW cubic files

[Ask Hjorth Larsen]

Hi Jibiao

On Fri, 22 Oct 2010, Jibiao Li wrote:

> Hi, all
> I'd like to ask you a question about the format of GPAW cubic files. As we
> know volume data sets such as electron density, molecular orbitals are
> characterized by multidimensional arrays of scalar data  that are defined on
> lattice structures (3D space). My question is how does GPAW restored those
> data into the displayed rows in one-dimensional?   What's the squence of
> picking up the values in 3D? Thank you!
> 
>

Do you mean GPAW's gpw files or actual cube files (which are not specific 
to GPAW)?

Regards
Ask