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-boun...@zeus.theochem.tuwien.ac.at> en nombre de YOUB OUMELKHEIR <khei...@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: khei...@live.fr To: wien@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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