[SIESTA-L] information about siesta

2013-09-30 Por tôpico Drogar
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.

Re: [SIESTA-L] Problem with Transiesta Run: MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT

2013-09-30 Por tôpico Nick Papior Andersen
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.

RE: [SIESTA-L] reciprocal lattice vectors in SIESTA

2013-09-30 Por tôpico d.otalvaro
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.