Dear Users, I have done convergence test for my supercell. My system is a GaN nanowire which I intend to dope with In atoms. And I want to perform a vc-relax calculation. Now 1. Do I need to do vc-relax calculation for the converged parameters? ( Because the converged ecutwfc values are large and require a long time )
2. When I increase the In atom doping , do I need to perform k-point convergence every time I add another In atom ? ( Because as far as I know , k-point convergence depends on Bonding properties of the system) Mondol Anik Kumar Bangladesh University of Engineering and Technology
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