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[lammps-users] system validation
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[lammps-users] system validation


From: Meral Sharkas <eng_meral.sh10@...16...>
Date: Thu, 6 Jul 2017 15:34:12 +0000 (UTC)

Dear Lammps users, 

May I ask please, if I want to validate that the structure and the interatomic potential I used are a good representative for an original system, can I relax the box at zero kelvin and see if the properties of the box (lattice constant - density ) are still the within the experimental range or should I equilibrate the system with a convenient method and check the properties of the system? 

Thank you