Dear Nick I start to implement this feature (efield in bulk system, i.e. the vector field A) into SIESTA by myself. My naive thought is to take use the subroutine phirphi_opt to calculate the momentum matrix Sar = <i|p|j>, then add A*Sar into sparse Hamiltonian H. I am new to the code so I really want to hear some useful advises from you.
Thanks. Best Chao At 2016-04-28 16:56:54, "Nick Papior" <[email protected]> wrote: I cannot say when it will enter siesta. It will most likely not be in the coming releases. 2016-04-28 10:48 GMT+02:00 Chao Lian <[email protected]>: Thanks, but I have to stick to the periodic systems. Will it be on the TO-DO-LIST of next SIESTA version? 在 2016年04月28日 15:25, Nick Papior 写道: Currently an electric field is not possible for periodic systems. You can, currently, use the electric field for non-bulk systems, i.e. slabs, molecules. 2016-04-28 9:18 GMT+02:00 Chao Lian <[email protected]>: Dear SIESTA Developers: How should I implement the code to add an electric field in a periodic system? Best Chao Lian Postdoctoral Researcher Institute of Physics, Chinese Academy of Sciences -- Kind regards Nick -- Kind regards Nick
