<![CDATA[Multiwfn forum / << ORCA and Multiwfn >>]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=403 >.]]> Wed, 21 Oct 2020 11:19:13 +0000 FluxBB <![CDATA[Re: << ORCA and Multiwfn >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1401#p1401 Thank you very much.

]]> Wed, 21 Oct 2020 11:19:13 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1401#p1401 <![CDATA[Re: << ORCA and Multiwfn >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1399#p1399 Normally you can use .molden file generated by the orca_2mkl tool in ORCA package as input file of Multiwfn. In almost all cases, this kind of file is able to provide identical information as .fch file for Multiwfn. For more information about acceptable input format, please carefully check Section 2.5 of Multiwfn manual. At the beginning of Chapter 4 of Multiwfn manual, the method of generating .molden file is described.

]]> Tue, 20 Oct 2020 22:32:52 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1399#p1399 <![CDATA[<< ORCA and Multiwfn >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1392#p1392 Hello,

I would like to know what are the files that should be generated using ORCA in order to use Multiwfn and perform all the analysis implemented on it.

For example, for Gaussian, there are analysis that only works for wavefunction file whereas other analysis works only with formatted check files.

Regards,

Camps

]]> Tue, 20 Oct 2020 12:30:07 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1392#p1392