gt; (7) x tetra -hf -dn
>>>
>>> Anyway, maybe you don't need to replot the DOS with more k-points. Your
>>> DOS with 1 k-point should be ok
>>> since your cell is large.
>>>
>>>
>>> From: Wien
case.int<
>> http://case.int>
>> > <http://case.int> <http://case.int <http://case.int>>? Try
>> > > to execute tetra with a reduced (or no) broadening.
>> > >
>> > > _
't need to replot the DOS with more k-points. Your
> DOS with 1 k-point should be ok
> since your cell is large.
>
>
> From: Wien on behalf of shamik
> chakrabarti
> Sent: Saturday, November 27, 2021 4:22 PM
> To: A Mailing list for WIEN2k users
&
-hf -dn
Anyway, maybe you don't need to replot the DOS with more k-points. Your DOS
with 1 k-point should be ok
since your cell is large.
From: Wien on behalf of shamik
chakrabarti
Sent: Saturday, November 27, 2021 4:22 PM
To: A Mailing list fo
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>
> > > <mailto:wien-boun...@zeus.theochem.tuwien.ac.at
> > <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>> on behalf of
> > > shamik chakrabarti > <mailto:shamik15041...@gmail.com&
hem.tuwien.ac.at
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>> on behalf of
> shamik chakrabarti mailto:shamik15041...@gmail.com>
> <mailto:shamik15041...@gmail.com
<mailto:shamik15041...@gmail.com>>>
> Sent: Saturday, No
_
> > From: Wien > <mailto:wien-boun...@zeus.theochem.tuwien.ac.at>> on behalf of
> > shamik chakrabarti > <mailto:shamik15041...@gmail.com>>
> > Sent: Saturday, November 27, 2021 7:54 AM
> > To: A Mailing list for WIEN
_
From: Wien mailto:wien-boun...@zeus.theochem.tuwien.ac.at>> on behalf of
shamik chakrabarti mailto:shamik15041...@gmail.com>>
Sent: Saturday, November 27, 2021 7:54 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Confusion about DOS
Dear Wien2k users,
reduced (or no) broadening.
>
>
> From: Wien on behalf of shamik
> chakrabarti
> Sent: Saturday, November 27, 2021 7:54 AM
> To: A Mailing list for WIEN2k users
> Subject: [Wien] Confusion about DOS
>
> Dear Wien2k users,
>
>I have plotted
no) broadening.
From: Wien on behalf of shamik
chakrabarti
Sent: Saturday, November 27, 2021 7:54 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Confusion about DOS
Dear Wien2k users,
I have plotted DOS for material with
Dear Wien2k users,
I have plotted DOS for material with converged SCF using
HSE06. I got a bandgap of 2,875 eV. However, in the plotted DOS it can be
seen that a small amount of DOS from the valence band is crossing the Fermi
energy. I have attached the plot to this mail.
Is th
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