The ABINIT Users Mailing List ( CLOSED )

[PGanesh <pganesh@ciw.edu>]

Hi All,

I wish to do a calculation where the 'a' and 'b' lattice vectors are 
fixed while the 'c' is relaxed.  I find that the options for 'optcell' 
seem to require that the angle between a-c and b-c be 90 degrees.  Is 
there a way to get around this so that |c|, and angles alpha and beta 
are also relaxed while 'a' and 'b' is fixed?  I would like to impose a 
monoclinic symmetry similar to what is in this paper:  PRB 71, 100103 
(2005).

Thanks,
Ganesh