Hi every body
where can I find :
1- a brief history about siesta?
2- How many papers has been published using Siesta until now?
3- How many user ?
--
with the best wishes...
drogar.
Try and include the Monkhorst-Pack grid and manually set it to the gamma
point. Siesta has two ways of specifying the k-grid, either MP or via a
cutoff length (see http://dx.doi.org/10.1103/PhysRevB.45.13891).
Kind regards Nick
2013/9/28 Sebastian Caicedo D.
Thanks Abraham,
My problem is more that I don't know the rotation angle. In VASP I often have
the problem that the reciprocal lattice vectors I generate from the cross
products are off by a rotation angle from the ones VASP generates. I will try
to do it anyway.
All the best,
Diana
Diana M.