The ABINIT Users Mailing List ( CLOSED )

[Fotios Nastos <nastos@physics.utoronto.ca>]

Dear Abinit users,

It is quite clear from the tutorials how one uses multiple data
sets in a single input file.  But, I have a case where I would
like to use densities/wavefunctions from an old calculation.

As an explicit example, let's say I have completed an scf cycle.
Now, I want to calculate the band strcuture using the potential
from the scf cycle.  I don't want to have to setup an input file as
in Tutorial Lesson 3, where the scf is calculated first (since I've
allready calculated it).  I assume this must be possible.

Is the correct procedure to first rename the old files (from the
scf cycle), so that they have the same names as the files that
would have come from a first dataset, and to use an input file
with ndtset==2, and jdtset==2?  I'd just like to know if I'm on
the right track, cause my first attempt didn't succeed :)

Thank you