You can't, per see. :) TranSiesta allows one to remove periodic boundary conditions by adding a semi-infinite direction where a truly bulk semi-infinite electrode is placed.
Siesta, however, intrinsically solves the potential in a periodic box. Den tir. 26. feb. 2019 kl. 22.05 skrev Mina Sedighi <[email protected]>: > Dear all, > > > How can I remove periodic boundary condition in siesta? > > > Regards, > > Mina > -- Kind regards Nick
