about mbjlda calculation
Posted: Mon Jun 01, 2015 12:45 pm
Hello all,
I am doing a calculation with mbjlda method on a slab model, but after several hundred scf cycles, the energy is still not converged. Are there any skill to accelerate the converge process? Thanks.
I am doing a calculation with mbjlda method on a slab model, but after several hundred scf cycles, the energy is still not converged. Are there any skill to accelerate the converge process? Thanks.