Dielectric function with gaussian smearing
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Dielectric function with gaussian smearing
Hi,
I was testing a system (Au, 1atom per cell) and i notice that if i calculate the dielectric function with
ISMEAR=0
I got the output (in OUTCAR) with a number of points = NEDOS/10 .
When i use
ISMEAR= -5
I got it with the number of points = NEDOS .
I really would like the reason for this difference, as in vasprun.xml i always got number of points = NEDOS.
Any idea?
Thanks in advance
I was testing a system (Au, 1atom per cell) and i notice that if i calculate the dielectric function with
ISMEAR=0
I got the output (in OUTCAR) with a number of points = NEDOS/10 .
When i use
ISMEAR= -5
I got it with the number of points = NEDOS .
I really would like the reason for this difference, as in vasprun.xml i always got number of points = NEDOS.
Any idea?
Thanks in advance
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- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Dielectric function with gaussian smearing
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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VASP