Greetings SIESTA users
I wish to calculate polarizability tensor for molecules adsorbed on Si(111)
substrate. I failed to find any thread regarding polarizability calculation
in archives.
One way to do this i believe is to calculate polarization vector for
varying external electric field and then
Auxiliary supercell needs to be larger than naive one
how one can get rid of this warning. i have a relaxed structure which still
give me this warning.
Are my calculations correct.
It may be a buggy scalapack, but a quick fix may be:
a) change the number of processors and see if that is the issue.
b) move a little bit the atoms, for instance a couple
c) if everything fails, try a basis with slightly larger radii
Regards
On Thu, Jul 5, 2012 at 3:21 PM, Iván Pulido Sanchez wro
