The ABINIT Users Mailing List ( CLOSED )

[Petr <sestak@kn.vutbr.cz>]

Hi,

I had the same problem as you. I have been doing some relaxation on the
monoclinic structure and I couldn't use the standard relaxation procedure. I
solved this problem by writing an own relaxation procedure which is relaxing
parameters RPRIM according to the computed elastic tensor. If you can be more
specific in detail I might by able to tell you if the same procedure can help
you.

Best regards

Ing. Peter Sestak
Institute of Physical Engineering
Faculty of Mechanical Engineering
Brno University of Technology