[CP2K-user] [CP2K:18429] Help: cp2k vibration analysis stopped in the middle, how to renew the calculation?

Zac Smith qingxinzhang6 at gmail.com
Thu Feb 9 17:39:07 UTC 2023


Understood, thank you for your reply.

On Thursday, February 9, 2023 at 6:03:34 AM UTC-5 Krack Matthias wrote:

> It is not possible to restart a vibrational analysis run. Such a 
> functionality is not implemented.
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of Zac 
> Smith <qingxi... at gmail.com>
> *Date: *Thursday, 9 February 2023 at 02:54
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:18425] Help: cp2k vibration analysis stopped in the 
> middle, how to renew the calculation?
>
> Hello  cp2k users,  
>
> I used a virtual machine to do vibration analysis with cp2k, but the task 
> was killed when the hard disk was full, and the output file only contains 
> out, molden, cube, and the eig file of size 0. Can the calculation be 
> continued in this case?
>
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