Re: [Wien] Problem with DOS

2019-01-16 Thread Wien2k User
Dear Dr. Martin Pieper

Thank you very much; the problem was resolved

Le mer. 16 janv. 2019 à 13:05, pieper  a écrit :

> Assuming that by 'very fine band' you mean a very narrow band my first
> guess would be that it is missing in your DOS because it sits between
> two energies on the energy axis of the plot. Focus the energy range
> where your DOS is calculated on the interval where the band actually is.
>
> Good luck,
>
> Martin Pieper
>
>
> ---
> Dr. Martin Pieper
> Karl-Franzens University
> Institute of Physics
> Universitätsplatz 5
> A-8010 Graz
> Austria
> Tel.: +43-(0)316-380-8564
>
>
> Am 14.01.2019 23:49, schrieb Wien2k User:
> > Dear wien2k users:
> >
> > The band structure has given a very fine band but when I plot the
> > corresponding density of state I can not find the peak corresponding
> > to this band (or the value of   this peak  is less than the format of
> > output file of dos (F?.8))
> >
> > how can I get the peak value even if it is less than E-8
> > ___
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> > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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>
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Re: [Wien] Problem with DOS

2019-01-16 Thread pieper
Assuming that by 'very fine band' you mean a very narrow band my first 
guess would be that it is missing in your DOS because it sits between 
two energies on the energy axis of the plot. Focus the energy range 
where your DOS is calculated on the interval where the band actually is.


Good luck,

Martin Pieper


---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 14.01.2019 23:49, schrieb Wien2k User:

Dear wien2k users:

The band structure has given a very fine band but when I plot the
corresponding density of state I can not find the peak corresponding
to this band (or the value of   this peak  is less than the format of
output file of dos (F?.8))

how can I get the peak value even if it is less than E-8
___
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SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

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