[CP2K-user] [CP2K:15158] ADMM only works with GAPW without DFT exchange correction

[august... at chem.uzh.ch]

Dear Hongyang,

GAPW support for ADMM was only recently implemented. It is available from version 8.1 of CP2K. Alternatively, setting EXCH_CORRECTION_FUNC to NONE will allow CP2K 7.1 to run, but the results may suffer in accuracy.

Best,
Augustin

-----cp... at googlegroups.com wrote: -----
To: "cp2k" <cp... at googlegroups.com>
From: "ma... at gmail.com" 
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Date: 04/20/2021 07:33AM
Subject: [CP2K:15158] ADMM only works with GAPW without DFT exchange correction

Hi,

I'm a beginner of using cp2k 7.1. 
When I did an HSE06 calculation with ADMM, I encountered an error message "ADMM only works with GAPW without DFT exchange correction". I understand this message is pretty clear but I couldn't figure out how exactly to solve this issue. Could someone help me how to solve this without changing the GAPW and BASIS_SET?

Thanks & Regards,
Hongyang  
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