question about erreurs opt-geo the clays "kaolinite"

ABDELILAH AYAD

unread,

Apr 25, 2023, 6:43:02 AM4/25/23

to cp2k

Dear CP2K users,
I am a new user of CP2K and I am trying to run an MD simulation on an CLAY "kaolinite" but I am facing a (possible) issue.

Thank you in advance for your answers.

kaolinite.out

kaolinite.inp

Krack Matthias

unread,

Apr 25, 2023, 7:55:32 AM4/25/23

to cp...@googlegroups.com

The error message is quite clear. The keyword ETA does not exist in section &OT.

--
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+uns...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/895d51c1-328f-4de7-9739-ba7183ebf723n%40googlegroups.com.

ABDELILAH AYAD

unread,

Apr 25, 2023, 8:22:56 AM4/25/23

to cp...@googlegroups.com

CAN YOU PLEASE GIVE THE SOLUTION

To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ZRAP278MB08270AF4B388558193754CCEF4649%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM.

Krack Matthias

unread,

Apr 25, 2023, 8:24:35 AM4/25/23

to cp...@googlegroups.com

Remove the line with that keyword.

To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CACfhuVrXHujy5tauHxRQr3jUh12K59HxFdZjksxux-KYpRBT%3Dg%40mail.gmail.com.

Reply all

Reply to author

Forward