Dear Sir, To simulate a isolated Monolayer WSe2 structure(nat=3,ntyp=2) , should I choose the value of ecutwfc very high(=70, ecutrho=4*ecutwfc) and should I use esm_bc to add vacuum or should I increase this using stretch cell method.Actually I am getting convergence problems.Please tell me how to sort this out.
Thanks and regards, Anindya Bose
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