[CP2K-user] [CP2K:18185] STDA parameters

[Maria Fumanal]

Dear CP2K users/developers,

I have been using CP2K to compute excited states with TDDFPT, so far using 
KERNEL FULL with PBE0 functional.

I made some tests with STDA and I have some questions with respect to the 
default parameters. So far I used KERNEL STDA including:
&STDA
FRACTION 0.25
&END

I was wondering if I should be changing/tuning any other parameter besides 
the TB HF fraction to get better estimates. For instance so far I used the 
MATAGA_NISHIMOTO default values but it is said in the manual that they are 
method dependent.

Could anyone tell me a little bit more about this?

Many thanks in advance,

Maria 


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