Arpit Kumar Agrawal

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Questions related from Arpit Kumar Agrawal

Why VASP is not invoking Langevin thermostat even after suitable tags in INCAR file?

I am trying to use Langevin thermostat in VASP: https://cms.mpi.univie.ac.at/wiki/index.php/MDALGO#MDALGO.3D3:_Langevin_thermostat I have included following suitable tags in INCAR file: IBRION =...

08 August 2018 4,453 0 View

How can we calculate(thermodynamically) energy dissipation in viscoelastic materials for a closed loop of Stress-Strain?

I am using Fung type function as a free energy function to calculate deformation gradient from stress and viceversa. I am also using general time evolving equation for Cauchy viscous. I can...

06 June 2016 1,184 7 View