[CP2K-user] [CP2K:17831] Wavefunction restart_history not working

Tjeerd de Jong t.f.d.j99 at gmail.com
Mon Oct 10 08:14:37 UTC 2022

Dear all,

I want to perform a restart including the wavefunction on MD simulations. 
To this purpose, I aim to print the general and the wavefunction restart 
files every n steps. I tried RESTART_HISTORY with the EACH keyword in the 
corresponding DFT->SCF->PRINT and MD->PRINT sections. However, the 
RESTART_HISTORY subsection seems to have no effect in the DFT->SCF->PRINT 
section. Creating backups for the wavefunction for each MD step with 
RESTART does work fine. 
Attached to this post you'll find my input files.

Thank you in advance for your time,
Kind regards,

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