Fdiff method doubt

Questions
#1

Hi Team,
I want to confirm that finite difference method is available for CCMAN only or we can access it for CCMAN2

Thanks and regards
Manisha

#2

FD should work with CCMAN2, but if there are issues, please contact Q-Chem Support. You can try it first yourself for your specific use case using the IDERIV REM variable, if necessary.

#3

Hi Kaushik,

I have raised ticket and tried it using IDERIV as well but same error pop up after the CCSDT iterations

Screenshot from 2025-01-08 12-35-20
Screenshot from 2025-01-08 12-35-201920×1080 353 KB

“Key ‘path’ is not known”. To initiate it do we need to add some rem variable in libgen?

#4

Hi Manisha, just to let you know, the Talk Forum is for Q-Chem users and usability issues; developer-related concerns and Trac tickets are not to be resolved on this forum. Since this is a reported bugfix ticket reported by you, the related discussion is to be done on the developer’s Trac forum.