Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
Pages: 1
Dea Professor Tian Lu,
I used your wonderful program IRCsplit, but the script runall.bat doesn't give me the chk files, it gave .out files.
I don't know how to correct it.
Sincerely,
Anas Ouled aitouna
Offline
IRCsplit generates a batch of Gaussian input files. If you have selected proper option in IRCsplit, you will find each .gjf has a different %chk section, therefore if run all of the .gjf files, a batch of .chk files will be generated. So, please check if the %chk line indeed exists in your .gjf files.
Offline
Dea Professor Tian Lu,
Solved Problem, thank you very much Professor.
Sincerely,
Anas Ouled aitouna
Offline
Pages: 1