[CP2K-user] [CP2K:20596] Initial SCF Convergence extreamly slow in QMMM Calculations

[권경표]

Hello,

I am currently running QMMM calculations with EGFP, but I'm facing a 
problem where the initial SCF convergence is taking an extremely long time.

 I've attached my input (inp) and log files for reference.

Could you please help me identify what might be causing this issue?

Thank you for your assistance.

-- 
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/051819e1-fe11-4638-b19a-4fc91004d5e3n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240821/3f25f84b/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: egfp.log
Type: text/x-log
Size: 13450 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240821/3f25f84b/attachment-0001.bin>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: egfp.inp
Type: chemical/x-gamess-input
Size: 3918 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240821/3f25f84b/attachment-0001.inp>