cp2k vibration calculation

[LEI CHEN]

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

[Krack Matthias (PSI)]

Hi Lei

 

Moments are not implemented for k-point calculations. You should find a corresponding WARNING printed in your cp2k output file just above the ABORT message.

 

Best

 

Matthias

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