[CP2K-user] Gibbs Free Energy for Transition State

[Brandon Meza González]

Dear, CP2K users,

I am trying to obtain THERMOCHEMICAL DATA of optimized structures. The 
problem I have is regarding imaginary frequencies. 
Reviewing old posts I understand that CP2K gives you:

########################################################
VIB|              Gibbs energy correction [kJ/mol]:                        
      NaN
########################################################

when it find some imaginary frequency. 


Also, I have obtained an output line as: 

########################################################
 VIB|              Gibbs energy correction [kJ/mol]:                        
 Infinity
########################################################

Thus, I have two questions:

1. Is CP2K capable to calculate Gibbs energy correction of a nth TS 
structure?
2. How could I face my problem with "NaN" and "Infinity" values in my 
outputs?

I attach the output file with the two problems printed. 

Thank you so much for your time

Best Regards,

Brandon
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