[CP2K-user] [CP2K:19438] MULTIPLICITY and FIXED_MAGNETIC_MOMENT
Moon Yue
yuegrit at gmail.com
Fri Oct 27 04:47:10 UTC 2023
Dear CP2K supports,
Recently, I did simulations on restricted magnetization.
The detail is to set total magnetic moment for a system previously.
After investigation, keyword FIXED_MAGNETIC_MOMENT is found necessary for
my simulation.
My question is whether MULTIPLICITY is necessary to be set accordingly ?
And surprisingly, I found calculation will proceed without MULTIPLICITY
set (the default is 1) when FIXED_MAGNETIC_MOMENT was set as any values.
Any comments are appreciated.
Sincerely yours,
Yue Qiang
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