Author Topic: Adjusting energy grid in DOS calculation  (Read 1980 times)

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Offline jchang

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Adjusting energy grid in DOS calculation
« 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

Offline Petr Khomyakov

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Re: Adjusting energy grid in DOS calculation
« Reply #1 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.

Offline jchang

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Re: Adjusting energy grid in DOS calculation
« Reply #2 on: March 8, 2018, 03:50 »
Thanks!