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[lammps-users] Buckingham Potential
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[lammps-users] Buckingham Potential


From: Afza Shahid <afza_shahid@...16...>
Date: Tue, 15 May 2018 08:17:16 +0000 (UTC)

Dear LAMMPS users

I'm using this command:

pair_style buck 20
pair_coeff * * 2442.60 0.3054 17.51

cut off= 20A
A= 2442.60 A
rho= 0.3054 eV
C= 17.51 eV A^6

but there is an error saying that these parameters are out of bound. Can anybody help me with this problem. Whats wrong with this command.

Regards 
Afza Shahid