[Pw_forum] About gaussian cubic format

[Paolo Giannozzi]

Tone Kokalj wrote:

> Would you share the info of how you do the Bader analysis?

maybe it is already shared .... I added the following paragraph
a few days ago to the user guide:
---
Note for people interested in Bader's analysis: there is a software
(link here: \texttt{http://theory.cm.utexas.edu/bader/}) that performs
Bader's analysis starting from charge on a regular grid. The required
"cube" format can be produced by \qe\ using pp.x (info by G. Lapenna
who has successfully used this technique). This code should perform
decomposition into Voronoi polyhedra as well, in place of obsolete
code voronoy.x (removed from distribution after v.4.1).
---

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy