The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <mjv500@york.ac.uk>]

I've just discovered this myself as well: the GS wavefunction file you 
need for the ddk bit has to be generated with all kpoints, ie kptopt 3.
In principle this should not be necessary, but that's how it's coded for 
the moment.

Converge a GS with kptopt 3, and add the new file name to temp.in

The rest can stay as is.

This should be documented, and checked for somewhere...

Matthieu

--
================================================================
Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14