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[lammps-users] Fwd: doubt regarding values of 'drho' and 'dr' for .adp file for Ni-Fe system
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[lammps-users] Fwd: doubt regarding values of 'drho' and 'dr' for .adp file for Ni-Fe system


From: Anil Mangla <anildcet@...24...>
Date: Sun, 23 Jul 2017 19:35:49 +0530



Respected Sir,

As per the method given in LAMMPS, I am creating a .adp file for Ni-Fe system using .plt files given at
'https://www.ctcms.nist.gov/potentialsNi.html#Fe-Ni' .

But there is one problem.
The problem is, values of 'drho'  for 'F_Fe.plt & F_Ni.plt'  and 'dr' for 'fFe.plt & fNi.plt'  are not same.
While creating .adp , LINE 5 contains value for Nrho, drho, Nr and dr.
Nrho and Nr are 3000, but what about values for 'drho' and 'dr'?
What value should be used for these, please guide me about this.
Thankfully.

--
Regards
Anil Mangla
PhD. Scholar (Statistical Thermodynamics)
CHE,I.I.T.  Kanpur, India
8090162821



--
Regards
Anil Mangla
PhD. Scholar (Statistical Thermodynamics)
CHE,I.I.T.  Kanpur, India
8090162821