<![CDATA[Multiwfn forum / GENERATING FCH FILE]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=522 Thu, 20 Apr 2023 16:06:56 +0000 FluxBB <![CDATA[Re: GENERATING FCH FILE]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3106#p3106 How did you open the file? I cannot reply without detailed description.

]]> Thu, 20 Apr 2023 16:06:56 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3106#p3106 <![CDATA[Re: GENERATING FCH FILE]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3105#p3105 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.

]]> Wed, 19 Apr 2023 17:11:22 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3105#p3105 <![CDATA[Re: GENERATING FCH FILE]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1869#p1869 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.

]]> Fri, 02 Jul 2021 22:29:06 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1869#p1869 <![CDATA[GENERATING FCH FILE]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1868#p1868 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...?

]]> Fri, 02 Jul 2021 15:23:56 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1868#p1868