[xcrysden] How to get the numerical value of electron density?

[Tone Kokalj]

On Mon, 2021-06-14 at 07:28 +0530, Jyotirmoy Deb wrote:
> I want to get the numerical value of electron density rho (x,y,z)
> along X, Y, Z grid points in a human-readable file format. i.e in a
> text or dat file I want to save X, Y, Z vs rho (x,y,z). How to do it?
> I am eagerly waiting for your response.

You can write a small program that reads the XSF formatted datagrid 
and prints it in the format of your choosing.

The XSF-datagrid specs are here: 
http://www.xcrysden.org/doc/XSF.html#__toc__11


Best regards, 
Tone
-- 
Jožef Stefan Institute, Ljubljana, Slovenia