[Wien] how to solve this problem

[delamora]

This is not a problem, there are many systems with that characteristic CrO2, Sr2FeMoO6, etc. they are called half metals because only half of the electrons can conduct.

________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de YOUB OUMELKHEIR <kheir31 at live.fr>
Enviado: viernes, 1 de julio de 2016 05:10:53 a. m.
Para: wien wien
Asunto: Re: [Wien] how to solve this problem

Dear wien2kwannier developer

i am a novice wien2k user.i am running wien2k version 14.1
i have studied the electronic properties of an anti-perovskite
 with GGA+U approximation.
but i have a problem the band structure show a gap in the spin up but the density of state doesn't show this gap.
how to solve this problem?
i would really appreciate your feedback .thank you!


________________________________
From: kheir31 at live.fr
To: wien at zeus.theochem.tuwien.ac.at
Subject: question
Date: Fri, 1 Jul 2016 11:01:35 +0100



Dear wien2kwannier developer

i am a novice wien2k user.i am running wien2k version 14.1
i have studied the electronic properties of an anti-perovskite
 with GGA+U approximation.
but i have a problem the band structure show a gap in the spin up but the density of state doesn't show this gap.
how to solve this problem?
i would really appreciate your feedback .thank you!

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