Author Topic: DOS vs projected DOS  (Read 1865 times)

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Offline Nayab Shiraz

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DOS vs projected DOS
« on: September 18, 2020, 00:42 »
What is the difference between calculating DOS object vs projected DOS. I know projected DOS can give projections on orbitals, spin etc but the total DOS should be the same in both the cases. right? In my case, I get different value of DOS at fermi level if I read from DOS graph or from projected DOS.

Offline Anders Blom

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Re: DOS vs projected DOS
« Reply #1 on: October 2, 2020, 20:53 »
Hard to tell why numbers are different in the two cases without seeing the exact input script. Could be a difference of the energy sampling, like if you are hitting the Fermi level exactly or it's interpolated, same with the Tetrahedron vs Gaussian method, which also depends on k-point sampling. So, please show input and output, else the best anyone can do is guess, and that doesn't typically help resolve an issue like this.