[CP2K-user] [CP2K:19778] Band structure for DFT + U

Krack Matthias matthias.krack at psi.ch
Fri Jan 19 12:00:15 UTC 2024


Dear Ash

That message in the output file is still correct.

Best

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Ashley Dickson <ashleydickson141 at gmail.com>
Date: Friday, 19 January 2024 at 12:32
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:19778] Band structure for DFT + U
Dear all,

I am trying to run band structure calculations with DFT + U however my output file states that the method is not implemented for k-points. I just wanted to make sure this was correct and that i'm not missing something in my input file.

Many thanks
Ash
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