2015-06-05 16:27 GMT+02:00 azar ostovan <[email protected]>: > Dear transiesta users > > 1. 1. Is it necessary to optimize the unit cell vector when try to > relax a structure for Transiesta calculation? > See this previous question on the list: http://www.mail-archive.com/siesta-l%40uam.es/msg06183.html
> 2. 2. When I follow the online 1D_Si_chain example, facing with these > states: > > **… Convince yourself that this calculation can be used as electrodes for > TranSIESTA calculations, i.e., check that there are no interactions or > overlaps between next-nearest neighbor cells. Question: Why is this so > important?..* > > **HOW could I check and be sure there are no interactions or overlaps > between next-nearest neighbor cells. ** > See this answer: http://www.mail-archive.com/siesta-l%40uam.es/msg07262.html > I really appreciate your help > > Warm regards > > > -- Kind regards Nick
