QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jchang on March 7, 2018, 05:09

Title: Adjusting energy grid in DOS calculation
Post by: jchang on March 7, 2018, 05:09

Hi,

I want to increase the resolution for DOS calculation.
But, it seems that it is not supported.
Is there any way to manually put the dE, Emax and Emin for DOS?

Thanks.
jiwon

Title: Re: Adjusting energy grid in DOS calculation
Post by: Petr Khomyakov on March 7, 2018, 11:46

This can be done through python scripting, see a usage example on how to "Plot the Gaussian and tetrahedron spectrum within pylab" at https://docs.quantumwise.com/manuals/Types/DensityOfStates/DensityOfStates.html.

Title: Re: Adjusting energy grid in DOS calculation
Post by: jchang on March 8, 2018, 03:50

Thanks!