Dear Steve
I am having one doubt regarding the alloy. I am reading two diffrent atoms from read_file. for both of the atom I am using two diffrent eam potential in an order. suppose for the atom in which I gave atom id 1, I used first potential for that and the atom for which I gave atom id 2 in read file, I used second potential for that. Is that right way to do??
Input file details
units metal
boundary s s s
atom_style atomic
read_data …/vijay/Ni_Alloys/data.alloy
pair_style eam
pair_coeff * * …/vijay/Nanowire_Cu/Ni_u3.eam (for first atom)
pair_style eam
pair_coeff * * …/vijay/Nanowire_Cu/Al_vtr.eam (for second atom)
dump 1 all atom 500 …/vijay/Ni_Alloys/dump.asdf
compute new3d all temp
velocity all create 300.0 5812775 temp new3d
fix 1 all nve
fix 3 all temp/rescale 10 300.0 300.0 1.0 1.0
fix_modify 3 temp new3d
thermo 100
thermo_modify temp new3d
timestep 0.001
run 5000
thanx for the kind advice
warm regards
Vijay