[CPMD-list] cubefiles

[Alessandro Curioni]

One remark:
  the cpmd2grid utility is very useful to change the resolution of your
grid, to shift the density or to have at high resolution only one portion
of the density,
all things that you cannot do directly from CPMD. Moreover, if you want to
save several DENSITY files it is always much more convenient
to store that in G-space than to have directly in real space, especially if
you want to store a series of densities from MD.
Regards,

Alessandro CURIONI, PhD
Research Staff Member
Computational Biochemistry and Material Science group
IBM Research Division - Zurich Research Laboratory
Saumerstrasse 4
8003 Rueschlikon - Switzerland
e-mail: cur at zurich.ibm.com
www:    www.zurich.ibm.com
Tel: +41-1-7248633
Fax: +41-1-7248958