[CPMD-list] on RAGGIO and KPOINTS units

[Eduardo Ariel Menendez P]

Hello everybody,

Just two silly questions,

1. What is the meaning of
"the width of the ionic charge distribution" [i.e. the keyword RAGGIO]?

2. What are the units of the KPOINTS when they are given in cartesian
coordinates. The manual says "units 1/a". What is "a" for a non cubic
lattice? Is there any option to give the KPOINTS in units of 2pi/a  ?

Thank you,

Eduardo A. Menendez Proupin
Department of Physics
Faculty of Science
University of Chile
Las Palmeras 3425
Ñuñoa, Santiago
Chile
Phone: 56+2+678 74 11
http://fisica.ciencias.uchile.cl/~emenendez/