lili wang 15465... at qq.com
Wed Sep 16 03:15:15 UTC 2020

Dear everyone
I ran AIMD 4000 steps, but I want to run 5000 steps. I added EXT_RESTART to 
DFT in .inp, but the error is unknown subsection EXT_RESTART of section 
DFT, can anyone help me?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200915/97545033/attachment.htm>

More information about the CP2K-user mailing list