TURBOMOLE Users Forum
Forum General => TURBOMOLE Forum General => Topic started by: inozerox on August 17, 2017, 06:34:57 PM
-
Hello everyone
I need to generate a wfn file from my output files. Does TURBOMOLE have any functionality that allows that, without doing a single point calculation using the script $wfn in the control file?
What do you recommend me to do?
Cheers
-
Hello,
you can run 'ridft -proper' to bypass the SCF cycle or the new proper tool.
Cheers,
Arnim