Dear Anindya Bose,
it seems that you need to go back to the basics and try to understand
some things.
And if someone of your group would help, it would be much better also
for you.
+ Sometimes one just needs to read the publications corresponding to a
method.
The cutoff for the wave
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
