[Pw_forum] Vc-relax

[Anik Mondol]

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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