[CP2K-user] [CP2K:18157] how to set MULTIPLICITY keyword

[Thomas Kühne]

No, not every value is OK, it depends on what you would like to simulate. 
I.e. MULTIPLICITY 1 for a singlet, 2 for doublet etc. as exactly written in 
the manual. 

> Am 06.12.2022 um 05:04 schrieb Moon Moon <yuegrit at gmail.com>:
> 
> Hi, could you please me help me ?
> When preparing inp file, how to set the MULTIPLICITY ?
> Or any value is OK ?
> The manual for this keyword is too simple.
> Any suggestions will be appreciated.
> 
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==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726

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