Dear Users, I am new to quantum espresso. I appreciate the things that can be done by quantum espresso. I have some specific queries. I will get to the points
My intention is to calculate bandstructure of GaN nanowire. I have carried convergence test ( ecutwfc, kpoint , lattice parameters( a,c)) for GaN supercell. Then I constructed a nanowire supercell by adding vacuum . Then I have performed a self-consistent and vc-relax calculation Now my confusion is this : 1. Did I need to carry out convergence test for the supercell as well ? 2.After the vc -relax calculation, I want to do a final scf calculation do I need to update my input file with the optimized results from the outputs of vc-relaxation or QE reads data from the saved directory ? Regards Mondol Anik Kumar Department of Electrical and Electronic Engineering Bangladesh University of Engineering and Technology
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