[Pw_forum] looking for optimal k-point sampling specific to monoclinic cells

[Manuel Pérez Jigato]

hello

I would like to locate a good reference/thesis etc with a description of
k-point sampling appropriate/specific to
monoclinic cells, if that exists at all. In case there exists any rule of
thumb, general knowledge etc, I would appreciate that

After looking into the literature, I cannot really say there is anything
specific, ie everything is too general as to identify a good
strategy to choose your k-point set

After some experimenting, it seems to me it would be really cumbersome to
determine an optimal/converged set of k-points, for instance,
whether using shifted Monkhorst-Pack sets with even parameters or
gamma-point centred odd numbers?

thanks in advance

Manuel


Dr Manuel Pérez Jigato, Chargé de Recherche
Luxembourg Institute of Science and Technology (LIST)
Materials Research and Technology (MRT)
41 rue du Brill
L-4422 BELVAUX
Grand-Duché de Luxembourg
Tel (+352) 47 02 61 - 584
Fax (+352) 47 02 64
e-mail  manuel.perez at list.lu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150611/f05d0035/attachment.html>