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how to makes DOS smooth.
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Topic: how to makes DOS smooth. (Read 5057 times)
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fangyongxinxi
QuantumATK Guru
Posts: 143
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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.
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 1290
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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.
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hsuya
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Re: how to makes DOS smooth.
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Reply #2 on:
February 18, 2020, 05:19 »
Can you share a new link, that link is broken.
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
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Re: how to makes DOS smooth.
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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.
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hsuya
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Re: how to makes DOS smooth.
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Reply #4 on:
February 19, 2020, 11:13 »
Thank you
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