This page describes how to generate, using Fireball, the tip_e_str.inp with the retarded and advanced green functions and the density of states (DOS) for the STM program . First, we need to obtain SCF-solution for particular geometry. Once we have it, we need to switch on these options: ifixcharge = 1 iwrtdos = 1 Simulation parameters are defined in two additional files: ---- ''dos.optional'' This file defines basic parameters of the DOS calculation. 1.00000 ! ratio of lattice (for fractional coordinates, if xyz are in Angstroms maintain 1.000) 1 5 ! natom_beg,natom_end (initial and final atom for the DOS calculation) 401 ! number of energies (number of energies in the DOS calcuation) -12.0 0.05 ! first energy (initial absolute energy (fireball's value is the Fermi Level) and energy step 1 ! 1/0 yes/no write the tip_e_str.inp file for the DOS -4.01 4.01 ! minimun and maximum energy limit for writing the green function in the tip_e_str.inp file 0.05 ! imaginary part for the green function in the DOS calculation ---- One comment related with the minimum and maximum energy limits. Normally, we are interested in the range 2eV bellow and above the Fermi Level, but calculating a bigger range of DOS. These parameters give us the opportunity to do both things together: dos calculation and tip_e_str.inp fie generation. As an example we can consider a system with a FL=-2.0 eV and we want to generate the file from -2+FL to FL+2 doing the calculation of the complete DOS from -10 to +10 with an energy step of 0.05. The corresponding file is showed above. (Take a look to the minimum and maximum vales a little bit larger to avoid numerical bad effects).