Hello. I am facing the following errors regarding the potential functions given below. I have also sent you the codes of my files. I would be grateful if you could guide me.
mass 1 12.01 # Tool Newton atoms (TN):C
mass 2 12.01 # Tool Boundary atoms (TB):C
mass 3 12.01 # Too Thermostat atoms (TT):C
mass 4 26.98 # Workpiece Newton atoms (WN):Al
mass 5 26.98 # Workpiece Boundary atoms (WB):Al
mass 6 26.98 # Workpiece Thermostat atoms (WT):Al
mass 7 65.38 # Zinc atoms (Zn) # Added for Zn
pair_style hybrid eam/alloy meam/c morse 12
pair_coeff * * eam/alloy Al-2009.eam.alloy Al Al Al Al Al Al Al
pair_coeff * * meam/c library.meam Zn Al
meam/c set Zn Zn Zn.meam Zn Zn # Zn-Zn
meam/c set Zn Al Zn.meam Zn Al # Zn-All
Al-C morse
pair_coeff 4 1 morse 0.5 1.5 2.0
pair_coeff 5 1 morse 0.5 1.5 2.0
pair_coeff 6 1 morse 0.5 1.5 2.0
ZN-C morse
pair_coeff 1 7 morse 0.3 1.6 2.0
Error:
pair_coeff * * meam/c library.meam Zn Al
ERROR: Incorrect args for pair style meam coefficients (src/MEAM/pair_meam.cpp:204)
Last command: pair_coeff * * meam/c library.meam Zn Al
Library.meam
‘Zn’ ‘hcp’ 12 1 65.380
7.3891842977 3.50 3.00 0.00 2.00 2.660 1.09 0.70
1 3.00 6.00 -10.00 1.00 3
‘Al’ ‘fcc’ 13 2 26.982
6.000 4.00 2.00 0.00 2.00 4.050 3.39 0.75
1 2.00 5.00 -8.00 1.00 3