Multiwfn forum

aitouna

Member

Registered: 2019-10-27

Posts: 20

runall.bat script problem

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,775

Website

Re: runall.bat script problem

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.

aitouna

Member

Registered: 2019-10-27

Posts: 20

Re: runall.bat script problem

Dea Professor Tian Lu,

Solved Problem, thank you very much Professor.

Sincerely,
Anas Ouled aitouna