Dear Nick,Thanks..I will follow these steps...Regards,AnkitaOn 23/09/17, Nick
Papior wrote:> From the provided information it is hard
for us to pin down the problem.Could you please follow these steps:> >
https://answers.launchpad.net/siesta/+faq/2779> > > > such that we
>From the provided information it is hard for us to pin down the problem.
Could you please follow these steps:
https://answers.launchpad.net/siesta/+faq/2779
such that we can figure out what has gone wrong?
2017-09-20 15:20 GMT+02:00 Ankita Joshi :
> Dear SIESTA
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.