# 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