[Pw_forum] cube file from pp.x with orthogonal unit cell

[Paolo Giannozzi]

On Oct 24, 2006, at 17:09 , Garold Murdachaew wrote:

> I notice that when  I use xsf format, pp.x prints some coordinates  
> with
> strange values (see below).  Are these atoms in the next unit cell?

coordinates are given
- in a0 (lattice parameter) units, in the internal pp.x format
- in Angstrom in the xsf format
- in Bohr radii in the cube format

Paolo