[Wien] Problem with DOS
pieper
pieper at ifp.tuwien.ac.at
Wed Jan 16 13:04:49 CET 2019
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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
More information about the Wien
mailing list