[CP2K-user] [CP2K:20791] OVERLAP_DELTAT

Jürg Hutter hutter at chem.uzh.ch
Mon Oct 21 07:45:20 UTC 2024


Hi
this keyword/method is intended to be used with the NewtonX software/interface.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of T deJ <t.f.d.j99 at gmail.com>
Sent: Friday, October 18, 2024 2:52 PM
To: cp2k
Subject: [CP2K:20780] OVERLAP_DELTAT

Dear all,

I would like to inquire about the function of OVERLAP_DELTAT. It appears to do disable most calculation steps. Am I correct in assuming that OVERLAP_DELTAT is meant to be used by a file IO based, external code, that feeds CP2K the two consecutive geometries in one coordinate file?

Best regards,
Tjeerd

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