I notice that the new wien2k 13.1 spends a lot of time (=up to 1 minute) in kgen. This appears to be due to a large fort.10 file that is written by create_filehf.f in SRC_kgen (it is 40 Mb for a simple test case). This fort.10 file is not present when wien2k 12.1 is used.
Is this the desired behaviour, or was perhaps a write statement not commented away?
Thanks, Stefaan _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
