Author Topic: how to makes DOS smooth.  (Read 4902 times)

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Offline fangyongxinxi

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how to makes DOS smooth.
« on: October 11, 2017, 09:19 »
Dir sir,
TheDOS curve in vnl usually seems sharp, not smooth. any method to solve this ?
Thanks.

Offline Petr Khomyakov

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Re: how to makes DOS smooth.
« Reply #1 on: October 11, 2017, 10:08 »
You may calculate the Density of States Spectrum using Gaussian broadening instead of the tetrahedron method, see Usage examples in the manual at https://docs.quantumwise.com/manuals/Types/DensityOfStates/DensityOfStates.html.

In this case, Gaussian broadening parameter controls the smoothness of the DOS curve. But make sure that you do not miss relevant peaks in the DOS when setting the broadening parameter value.

Offline hsuya

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Re: how to makes DOS smooth.
« Reply #2 on: February 18, 2020, 05:19 »
Can you share a new link, that link is broken.

Offline Petr Khomyakov

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Re: how to makes DOS smooth.
« Reply #3 on: February 19, 2020, 09:26 »
Here it is https://docs.quantumatk.com/manual/Types/DensityOfStates/DensityOfStates.html. The new link to our documentation is https://docs.quantumatk.com, you may then do searching for information (e.g., for Density of States) as usual.

Offline hsuya

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Re: how to makes DOS smooth.
« Reply #4 on: February 19, 2020, 11:13 »
Thank you :)