Hi, I want 2 consult about hybrid potential

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1

Dear Steven and others,
I want 2 do some work with the Fe-He system, But I met some troubles with the potential
LAMMPS tell me that Incorrect args for pair coefficients (pair_eam_fs.cpp:55)
and below is my code

units metal
boundary p p p
atom_style atomic

#-------------------create simulation lattice-------------------#
read_data data.FeHe2000
mass 2 2.0
group Fe type 1
group He type 2

#----------------to define the potential--------------#
pair_style hybrid eam/fs lj/cut 6.65 morse 2.8
pair_coeff 1 1 eam/fs Fe_mm.eam.fs Fe NULL
pair_coeff 1 2 morse 2e-4 1.2182 5.5
pair_coeff 2 2 lj/cut 8.76e-4 2.87

Looking forward to your reply, thank You very much!
Qin 3013-6-15

2

Dear Steven and others,
I want 2 do some work with the Fe-He system, But I met some troubles with
the potential
LAMMPS tell me that Incorrect args for pair coefficients
(pair_eam_fs.cpp:55)
and below is my code

units metal
boundary p p p
atom_style atomic

#-------------------create simulation lattice-------------------#
read_data data.FeHe2000
mass 2 2.0
group Fe type 1
group He type 2

#----------------to define the potential--------------#
pair_style hybrid eam/fs lj/cut 6.65 morse 2.8
pair_coeff 1 1 eam/fs Fe_mm.eam.fs Fe NULL

^^^^^^^^ here you need to use: pair_coeff * * eam/fs ... and so on.
please carefully re-read the pair_hybrid and pair_style eam
documentation to find out why.

axel.