[Wien] how to solve this problem

YOUB OUMELKHEIR kheir31 at live.fr
Fri Jul 1 12:10:53 CEST 2016


Dear wien2kwannier developer
i am a novice wien2k user.i am running wien2k version 14.1i 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 14.1i 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!
 		 	   		   		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160701/24c40bb1/attachment.html>


More information about the Wien mailing list