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1

Dear to all,
I want to see Ni atom configuration at a specific temperature and I use this lammps code:

Initial configuration of Ni atoms

boundary p p p
dimension 3
units metal
atom_style atomic

#################################### BOX
region box block -22 22 -22 22 -22 22 units box
create_box 1 box

##################################### CREATE ATOMS
lattice fcc 4.05
region cube block -5 5 -5 5 -5 5 units box
create_atoms 1 region cube

##################################### MASS
mass 1 58.69
velocity all create 1 12345 mom yes rot yes dist uniform

##################################### POTENTIAL
pair_style meam
pair_coeff * * Ni.meam

fix 1 all nvt temp 800.0 800 100.0
thermo 2000
dump 1 all xyz 100 dump.xyz
run 50000

The code wasn’t run and there is an error:
Invalid pair style
how can I solve this?
Thanks
J. Sakhaleta

2

Dear to all,
I want to see Ni atom configuration at a specific temperature and I use this lammps code:

Initial configuration of Ni atoms

[…]

The code wasn’t run and there is an error:
Invalid pair style
how can I solve this?

reading the manual is always a big help. you need to do it more often.

you are using a pair style that has not been included in the LAMMPS binary you are using. you need to add the corresponding package and recompile LAMMPS. which package is needed is mentioned in the documentation for the corresponding pair style.

axel.