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Author Topic: Noisy DOS  (Read 2822 times)

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Offline Dhirendra

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Noisy DOS
« on: August 18, 2015, 19:17 »
I am getting a very noisy DOS on a supercell with >56 atoms (Si and Ni). Any suggestions on how to obtain neat DOS plots?
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Offline Jess Wellendorff

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Re: Noisy DOS
« Reply #1 on: August 19, 2015, 08:32 »
In general I would recommend to use a fine k-point sampling and the default Tetrahedron method for DOS calculations for bulk configurations. If you double the k-point sampling and the DOS spectrum does not change, perhaps the noise is not really noise after all.
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Offline Dhirendra

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Re: Noisy DOS
« Reply #2 on: August 22, 2015, 02:12 »
Thanks, may be an nscf calculations with dense grid will help.
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