Dear Heiko
I checked the input file several time. The problem is that Number of species
was not defined. We cannot trust the Example in siesta package sometime. Now
everything is ok.
On Fri, Jan 15, 2010 at 3:52 PM, Heiko Dumlich
wrote:
> Dear Fen Hong,
>
> maybe your "SystemLabel si2" is not corr
Dear Fen Hong,
maybe your "SystemLabel si2" is not corresponding to your
pseudopotential file name si2.psf ? It is looking for a pseudopotential
file with the "SystemLabel" and therefore Si.psf is not recognized as
the correct ".psf" file. Just change either the "SystemLabel" or the
name of t
Dear all,
I am trying to calculate the vibration frequence. This is an example in
siesta 3.0 package(siesta-3.0-b/Util/Vibra/Examples/). Vibra has been
compiled by "make" and I also put the pseudopotential file Si.psf in the
same diectory (siesta-3.0-b/Util/Vibra/Examples/). but it did not work
