[QE-users] Convergence with interstitials

[Mostafa Youssef]

Dear Tejas,

There are many tests to check and test here.  But one thing that comes to
my mind is the pseudopotentials you used. you could try to use another set
of pseudopotentials (especially for N). Try the recommended set here:
https://www.materialscloud.org/discover/sssp/table/efficiency.

Also one needs to make sure that W lattice constant is close to experiment.

Lastly, I would reduce the starting magnetization on W to 0.1 and on N to
0.3 or so.  No rationale here, just intuition.

Regards,
Mostafa
AUC
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