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RASPA => Input files and parameters => Topic started by: Cheng on January 20, 2022, 10:35:48 AM

Title: How to use Feymann-Hibbs correction to Lennard-Jones?
Post by: Cheng on January 20, 2022, 10:35:48 AM
Hello,
       I am trying to calculate the adsorption of hydrogen molecular. In a lot of papers Feymann-Hibbs correction is used and I'm wondering how I can specify the input file in RASPA to use such correction? Is it some parameters in force_field.def or force_field_mixing_rule.def?
Thanks very much!