[CP2K-user] [CP2K:16714] wfn saving interval
Krack Matthias (PSI)
matthias.krack at psi.ch
Tue Mar 15 09:15:59 UTC 2022
Check this print key<https://manual.cp2k.org/cp2k-9_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART/EACH.html#QS_SCF> in the &SCF section
&SCF
..
&PRINT
&RESTART
LOG_PRINT_KEY # optional: print notification to stdout
&EACH
QS_SCF 5
&END EACH
&END RESTART
&END PRINT
..
&END SCF
HTH
Matthias
From: cp2k at googlegroups.com <cp2k at googlegroups.com> On Behalf Of Peng Gao
Sent: Tuesday, March 15, 2022 2:06 AM
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:16713] wfn saving interval
CP2K saves the wavefunction to *-RESTART.wfn file every 20 SCF cycles. I want to decrease the interval from 20 to 10 or 5, but failed to get the control item. Could any one advise the keyword?
--
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<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/fad1c2cf-6f59-4312-9c39-3c316ea8cd2en%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/fad1c2cf-6f59-4312-9c39-3c316ea8cd2en%40googlegroups.com?utm_medium=email&utm_source=footer>.
--
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/1b0263188cce4ae3a417c9cae01b47f0%40psi.ch.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220315/9383db30/attachment-0001.htm>
More information about the CP2K-user
mailing list