[CP2K-user] [CP2K:17299] Negative vibrational frequency

rajanikanta rana rkrsinu at gmail.com
Mon Jul 11 04:55:26 UTC 2022

While doing vibrational analysis of a molecule. i am getting negative 
frequencies, initially i put max_force in GEO_OPT section 0.0005 then, 
changed to 10^-8. Due to this no. of negative frequency decreases from 30 
to 12. although i increased the cell parameter, again am getting negative 
frequency, i have attached the input file and .mol file. 

Thanks for your time!

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