Multiwfn forum

GODWINI

Member

Registered: 2021-06-22

Posts: 13

GENERATING FCH FILE

Hello Sir..
            While generating fch file from checkpoint file, do I need to write .fch extension while saving output file..?Do I need to save the output file as gaussian output file...?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,632

Website

Re: GENERATING FCH FILE

Usually you should specify e.g. %chk=/home/sob/abc.chk in your .gjf file. Then after calculation, the chk file will be generated. After that you can use formchk utility in Gaussian to convert it to fch/fchk.

In addition, if you set "formchkpath" in settings.ini to actual path of formchk executable file, then Multiwfn will be able to directly open .chk file, since formchk will be automatically invoked.

partha

Member

Registered: 2020-05-06

Posts: 19

Re: GENERATING FCH FILE

I have generated the fch file with a specific name. But during opening of the file I am unable to open. Please tell me the step wise , so that I can start the Multiwfn.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,632

Website

Re: GENERATING FCH FILE

How did you open the file? I cannot reply without detailed description.