[QE-users] Relaxation of Tungsten disulfide (WS2)

[Ankit Sirohi]

Dear QE users,

I am trying to relax WS2 in quantum espresso (QE) by taking elongated cell
along c-axis to decouple the periodic images. But the calculations are not
converging.
The same is happening when I am trying to relax MoTe2 (Molybdenum
ditelluride).

The calculations are converging when I am not taking elongated along
c-axis.

I am attaching the input file with the mail. Please help me in this regard.

Thank you,
Ankit Sirohi
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