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

[Tjeerd de Jong]

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,
Tjeerd

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/c17c81f9-57f2-40ea-a24f-61f9032c65e3n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221010/394e9a52/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O.tar
Type: application/x-tar
Size: 2232320 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221010/394e9a52/attachment-0001.tar>