Still Incorrect args for pair coefficients ...!

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1

Hello,
I asked about this error “ Incorrect args for pair coefficients”

pair_style hybrid eam/alloy sw lj/cut 4
pair_coeff 1 1 eam/alloy Al99.eam.alloy Al
pair_coeff 2 2 Si.sw Si
pair_coeff 1 2 lj/cut 0.4121 2.3216

and thanks to Mr. Steve. I change the command lines to

pair_style hybrid eam/alloy sw lj/cut 4
pair_coeff 1 1 eam/alloy Al99.eam.alloy Al NULL
pair_coeff 2 2 Si.sw NULL Si
pair_coeff 1 2 lj/cut 0.4121 2.3216

But the problem still exists.
What should I do?

2

Hello,
I asked about this error “ Incorrect args for pair coefficients”

pair_style hybrid eam/alloy sw lj/cut 4
pair_coeff 1 1 eam/alloy Al99.eam.alloy Al
pair_coeff 2 2 Si.sw Si
pair_coeff 1 2 lj/cut 0.4121 2.3216

and thanks to Mr. Steve. I change the command lines to

pair_style hybrid eam/alloy sw lj/cut 4
pair_coeff 1 1 eam/alloy Al99.eam.alloy Al NULL
pair_coeff 2 2 Si.sw NULL Si
pair_coeff 1 2 lj/cut 0.4121 2.3216

But the problem still exists.
What should I do?

many-body potentials only support the pair_coeff * * syntax. re-read
the manual for details

axel.

3

You need an "sw" before the Si.sw. This will be
obvious, and I'm going to say it to the whole list,
if whenever you get an error related to your input script
then you run LAMMPS as

lmp_foo -echo screen < in.foo

The code will echo the offending line and (in this case)
a moment of staring at it versus the doc page would
tell you the problem.

Steve