Re: [SIESTA-L] Problem in transiesta run

2017-09-23 Por tôpico Ankita Joshi
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

Re: [SIESTA-L] Problem in transiesta run

2017-09-22 Por tôpico Nick Papior
>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

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.