Dear transiesta users 1. 1. Is it necessary to optimize the unit cell vector when try to relax a structure for Transiesta calculation?
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. ** I really appreciate your help Warm regards
