[CP2K-user] [CP2K:17730] cp2k vibration calculation

LEI CHEN bty038 at gmail.com
Wed Sep 21 18:07:06 UTC 2022


Hi cp2k developer,

I'm trying to do vibration analysis to get gibbs energy. however, the 
calculation report 'Trying to access result ([DIPOLE]) which was never 
stored'. I check the conversation before and found that the previous 
situation can't solve it. my input file is attached. Is there any other 
parameter I missed? thanks for your help and appreciate for any advise. 

Sincerely,

Lei Chen

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