[lammps-users] question on format of CH.airebo file

I’d like to know details of format used in CH.airebo potential file.
A airebo(Stuart and Berenner) potential include To,beta0,beta1,beta2,beta3,beta4, and
beta5 as their parameters and I’d like to which values of CH.airebo file in LAMMPS correspond to them respectively.

Their values of original paper are as follows.

To = -0.00809675 (maybe unitless)
beta0 = 0.7073
beta1 = 5.6774
beta2 = 24.0970
beta3 = 57.5918
beta4 = 71.8829
beta5 = 36.2789

However, there are no such values in CH.airebo file and it is really hard to know what values correspond to these aformensioned seven parameters (To, beta0~5) in this potential file.
If you know them, would you let me know what values are for them, please?

Best regards,


I don't know the answer to this. Try emailing
Ase Henry who formulated AIREBO for LAMMPS
(ase at alum.mit.edu)


2010/9/6 JhonY. I. <[email protected]>: