[CP2K-user] [CP2K:13904] RESTART

[Lucas Lodeiro]

The section for restart is not a subsection of DFT.
You have to put:
&EXT_RESTART
  EXTERNAL_FILE                ######-1.restart
&END EXT_RESTART

out of the force eval section (EXT_RESTART is at the same level of motion,
force_eval and global ).

Regards - Lucas Lodeiro

El mié., 16 sept. 2020 a las 0:15, lili wang (<15465... at qq.com>) escribió:

> 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?
>
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