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Copy pathINPUT_PARAMETERS.txt
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INPUT_PARAMETERS.txt
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CeO2 ! material name
54 ! SHI atomic number
200 ! [MeV] total SHI energy
-1 ! [proton mass] if mass of the SHI is NONSTANDARD isotop; if standard, put any NEGATIVE number
100.0 ! [fs] total time analyzed
10.0d0 1 ! [fs] timestep, how often the data are saved; kind of time-grid: 0=linear, 1=logarithmic
0.0d0 ! [eV] Cut-off energy (electrons with lower energies are excluded from calculation)
10.0 ! [A] thickness of the layer analyzed
0.0 ! [K] temperature of the target
0 1.0 ! 0=Barkas, 1=Bohr, 2=Nikolaev-Dmitriev, 3=Schiwietz-Grande, 4=fixed Zeff; Fixed value (only for case=4)
0 ! 0=point-like charge; 1=Brandt-Kitagawa ion
1 1 ! elastic cross sections:-1=disable; 0=Mott, 1=optical CDF; Target Zeff (0=Barkas-like; 1=(Z=1); 2=Z^2/CDF_e)
1 0 ! target dispersion (1=free el., 2=plasmon-pole, 3=Ritchie); m_eff [me] (0=effective mass from DOS of VB; -1=free-electron)
0 ! Include plasmon integration limit
-1.0d30 ! [me] effective valence hole mass in units of electron mass
1 ! include radiative decay of deep holes? (0=no, 1=yes)
-1.0 10.0d0 6.18d0 ! [eV] Work function (<=0 - no emission); [A] surface barrier length; [eV] barrier height for electron emission
10 ! number of MC iterations to be performed
-1 ! number of threads for parallel calculations with OpenMP (1=nonparrelelized; -1=all available threads)
!----------------
! Optional flags:
!verbose ! To printout time of reaching each time-grid point
!grid 1 ! E-grid index: -1=old; 0=new; 1=save-files
!redo_MFP ! recalculate all mean free paths
!print_CDF ! printout cdf file
!Units 1 ! index for units used in plots: 0=eV/A^3 (old); 1=eV/atom (new, default)
!DOS Au.dos ! File with DOS
!CDF Au_test.cdf ! File with CDF
!print_optical_cdf ! printout optical CDF reconstructed from the fitted loss-function
!redo_MFP_SHI ! recalculate mean free paths for SHI
!redo_IMFP ! recalculate inelastic mean free paths for electrons and VB holes
!redo_EMFP ! recalculate elastic mean free paths for electrons and VB holes
!gnuplot jpeg ! gnuplot plots in format: jpeg; png; gif; eps; pdf; no; (default is jpeg)
!very-verbose ! To printout time of each collision (really A LOT of printout!)
!info ! printout some basic info about the code