Dear all,
I made in.meam following manual and advices from mailinglist.
But I am not guarantee my in.meam is correct or not.
Please check my in.meam
I want to simulate W cluster heating gradually and annealing quickly with fixed the base part of whole structure.
Thank you in advance
Regards,
Heesung Choi
input data for Tungsten tip structure
units metal
boundary p p p
atom_style atomic
read_data data.meam
group 1 tip <> 1 176
group 2 base <> 177 237
pair_style meam
pair_coeff * * library.meam W
neighbor 0.3 bin
neigh_modify delay 10
fix 1 tip nve
fix 2 base nve
fix 1 tip temp/rescale 500 0 1073.15 0.05 1.0
fix 2 base temp/rescale 500 0 1073.15 0.05 1.0
fix 1 tip temp/rescale 500 1073.15 300 0.05 1.0
fix 2 base temp/rescale 500 1073.15 300 0.05 1.0
fix 2 setforce 0 0.0 0.0
velocity base zero linear
velocity base zero angular
thermo 10
dump 1 all atom 1000 dump.meam
timestep 0.01
run 500
timestep 0.1
run 500