[Pw_forum] Monolayer WSe2 related problems

[Anindya Bose]

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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