Dear allI am trying to determine the electric dipole polarizability of C60.
Using Phonon, I got a single value, whereas whit TDDFPT the dipole
polarizability for each value of the frequency is a 3*3 matrix. I would like
to know if the tow calculations are equivalent. If there are, How can I move
Dear Users,
I'm interesting in calculation of static and dynamic electronic
polarization properties. If I understood User's Guide correctly, there are
two way: using ph.x (fpol) and vdw.x codes. Could you advice some papers
with theoretical background of these implementation?
Which is better m
On Fri, 2012-12-07 at 11:45 +0700, Olga Sedelnikova wrote:
> The other problem is connected with the example34.
vdw.x is unmantained and longer distributed.
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
