Dear all,
I like to know the difference between vc-relax (*optimize lattice constant
and atomic positions) *and relax(*optimize the atomic positions alone*).
other than the bold words, i like to know further.? and also When to
perform vc-relax?
Is vc-relax superior over relax part. ?
I have two v
Hi singaravelan,
relax calculation is done mostly in 2d systems where we need to find
the optimized atomic coordinates. In your case vc-relax is the best. But
there is nothing like which is superior. It depends on your system. Thank
you.
*SAURAV LAHIRI*
*Junior Research Fellow (JRF)*
*Condense
