s
Sent: Tuesday, February 7, 2023 12:45:02 PM
To: Mustafa Özgür; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Zero occupations of Hubbard levels
Indeed there seems to be a problem. We will investigate this issue and will
come back to you ASAP.
Iurii
--
Dr. Iurii TIMROV
Seni
users Forum
Subject: Re: [QE-users] Zero occupations of Hubbard levels
Indeed there seems to be a problem. We will investigate this issue and will
come back to you ASAP.
Iurii
--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute
Konu: Re: [QE-users] Zero occupations of Hubbard levels
Dear Mustafa,
> Is it possible to calculate DFT+U with noncollinear?
Yes
Currently, in Quantum ESPRESSO this is implemented in the framework of the
Lichtenstein formulation.
Please provide all the input and output files (us
Dear Mustafa,
> Is it possible to calculate DFT+U with noncollinear?
Yes
Currently, in Quantum ESPRESSO this is implemented in the framework of the
Lichtenstein formulation.
Please provide all the input and output files (using public shared folders,
e.g.Google Drive) that show the
