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[lammps-users] Documentation


From: "Dasgupta, Dwaipayan" <DDasgupta@...2805...>
Date: Wed, 9 May 2018 13:37:48 +0000

Hi,

 

In the documentation for Beck potential, the example pair_coeff is listed as (http://lammps.sandia.gov/doc/pair_beck.html):

pair_coeff * * 399.671876712 0.0000867636112694 0.675 4.390 0.0003746

pair_coeff 1 1 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 6.0

 

All the coefficients are in eV-A unit except the second one. It should be 0.867636112694 in place of 0.0000867636112694.

 

Regards,

DD