[CP2K-user] Question about vibrational analysis

[Chn]

Dear experts in CP2K,

I am a beginner of CP2K package and I am really thankful if my naive 
question can be explained.
The model is PdCd (111) with small molecule adsorbed on it. When performing 
a GEO_OPT calculation, I added the keyword "UKS" for spin-polarized 
calculation in the section "DFT", due to the transition metals that are Pd 
and Cd atoms in the system according to the tutorials online. However it 
requires me about three times higher times for the calculation. For 
the vibrational analysis of the adsorbed molecule, a very tight threshold 
is needed for "EPS_SCF" to get accurate low frequencies, it will take me 
too much time. I do not know weather the keyword "UKS" is still necessary 
here.
Many thanks in advance!

Regards,
chn
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