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# Test case / example for fix electron/stopping
# Perfect Si lattice with one primary knock-on atom.
#
# Also uses fix dt/reset, as one should when energies are high
# enough to require electronic stopping.
units metal
boundary p p p
timestep 0.0001
lattice fcc 5.431
region rbox block -10 10 -10 10 -10 10
create_box 1 rbox
mass 1 28.0855
create_atoms 1 box
velocity all create 300 42534 mom yes rot yes
group gPKA id 1
velocity gPKA set 1120 1620 389
pair_style sw
pair_coeff * * Si.sw Si
fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
fix fel all electron/stopping 1.0 Si.Si.elstop
fix fnve all nve
thermo 10
thermo_style custom step time dt f_fel
#compute ek all ke/atom
#dump mydump all custom 200 elstop.dump id x y z vx vy vz fx fy fz c_ek
run 5000
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