[CP2K-user] [CP2K:16184] how to set a current restart input in AIMD
许徐君
pxp1151117 at gmail.com
Thu Nov 4 13:01:24 UTC 2021
I am a newbie to cp2k. When I use ext_restart of cp2k to run cp2k, SCF will
run at the beginning, but it will be aborted at a certain time, but the
model and input at the beginning can be run. I hope any kind person can
Guide me, thank you very much, the following is my input file and output
Looking forward to your reply
--
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/c8725a81-062e-4368-be00-02405cce4bd6n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211104/a358f731/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: result.out
Type: application/octet-stream
Size: 80408 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211104/a358f731/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: c_water-1_3000.restart
Type: application/octet-stream
Size: 203838 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211104/a358f731/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: GW300.inp
Type: chemical/x-gamess-input
Size: 4373 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211104/a358f731/attachment.inp>
More information about the CP2K-user
mailing list