Hi everyone, I'm relatively new to SIESTA. I would like to extract the *total* *energy transferred to the electronic system (electrons of the system) from an energetic ion* (for example 1-100 keV ion). Is there a way to do that in SIESTA? I am not able to find the exact definition of all the energy decomposition terms (see attached output). Does anyone know how to find related information? I really appreciate your help!
Output from SIESTA: *siesta: Program's energy decomposition (eV):* *siesta: Ebs = -4916.181560* *siesta: Eions = 25067.287187* *siesta: Ena = 5173.202065* *siesta: Ekin = 10758.058881* *siesta: Enl = -1104.764036* *siesta: DEna = -168.872009* *siesta: DUscf = 18.755553* *siesta: DUext = 0.000000* *siesta: Exc = -5518.696771* *siesta: eta*DQ = 0.000000* *siesta: Emadel = 0.000000* *siesta: Emeta = 0.000000* *siesta: Emolmec = 0.000000* *siesta: Ekinion = 0.000000* *siesta: Eharris = -15909.632130* *siesta: Etot = -15909.603505* *siesta: FreeEng = -15909.603521* Tan Shi -- Graduate Student Department of Nuclear Engineering and Radiological Sciences University of Michigan
