Hello Tan as far I have understood from SIESTA it doesn’t take into account the charge of the atom. just it’s position and element. Hope that answers the question Good luck El abed
Sent from my iPhone On 16 Sep 2019, at 6:00 am, Tan Shi <[email protected]<mailto:[email protected]>> wrote: Dear all, I am relatively new to SIESTA code. If I use SIESTA to simulate high-energy ion interaction with matter, will the code consider the effective charge of the ion? Through the ion interaction process, will the ion charge be always be neutral? Thank you! Sincerely, Tan Shi -- Graduate Student Department of Nuclear Engineering and Radiological Sciences University of Michigan
