[DFTB-Plus-User] DFTB+ DOS calculation time

[Achyut Subedi]

Hello everyone,

I was trying to calculate the density of states for the following
structures, I am attaching the POSCAR file and corresponding dftb_in.hsd
file for my calculation with SCC Tolerance of 10E-5. However, it is
taking me more than an hour for a simple DOS calculation for a system
having 292 atoms. Is it normal? I have attached my bash script as well for
your reference. Are there some mistakes? Can you please recommend to me the
best way of resource allocation for systems of <1000 atoms for fast and
efficient calculations?

-- 
Best Regards
Er. Achyut Subedi
Registered Mechanical Engineer
(IOE, TU, Nepal)
+977-9847703110
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