[CP2K-user] [CP2K:21255] *** WARNING in dft_plus_u.F:792 :: This is an experimental version of the *** *** forces calculation for the DFT+U method LOWDIN ***
'Kusum Kumari' via cp2k
cp2k at googlegroups.com
Thu Mar 6 07:34:59 UTC 2025
Dear All,
I keep getting this warning while trying to optimize a cobalt complex with
hubbard correction and DFT_PLUS_METHOD LOWDIN.
The default is MULLIKEN, but it gave unphysical charges, so I switched to
the LOWDIN method. But this again gives a warning:
"*** WARNING in dft_plus_u.F:792 :: This is an experimental version of the
***
*** forces calculation for the DFT+U method LOWDIN
***"
Is it OK to ignore the warning if my optimized geometry is in good
agreement with the crystal structure? The optimization is successfully
completed.
Any suggestion is highly appreciated.
Thanks
Kusum
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