QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: fangyongxinxi on October 11, 2017, 09:19

Title: how to makes DOS smooth.
Post by: fangyongxinxi on October 11, 2017, 09:19

Dir sir,
TheDOS curve in vnl usually seems sharp, not smooth. any method to solve this ?
Thanks.

Title: Re: how to makes DOS smooth.
Post by: Petr Khomyakov 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.

Title: Re: how to makes DOS smooth.
Post by: hsuya on February 18, 2020, 05:19

Can you share a new link, that link is broken.

Title: Re: how to makes DOS smooth.
Post by: Petr Khomyakov 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.

Title: Re: how to makes DOS smooth.
Post by: hsuya on February 19, 2020, 11:13

Thank you :)