<![CDATA[Multiwfn forum / Molecular orbital composition analysis with NAO method and Molpro]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=50 Sat, 19 May 2018 14:42:27 +0000 FluxBB <![CDATA[Re: Molecular orbital composition analysis with NAO method and Molpro]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=157#p157 Dear Laura,

Unfortunately, for Molpro it is currently impossible to carry out NAO orbital composition analysis via Multiwfn...

Tian

]]> Sat, 19 May 2018 14:42:27 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=157#p157 <![CDATA[Molecular orbital composition analysis with NAO method and Molpro]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=156#p156 Dear Multiwfn forum,

I am a Molpro user and want to do a Molecular orbital composition analysis with NAO method. What should I do in Molpro to generate the output file that Multiwfn can import?

Thanks!

]]> Fri, 18 May 2018 19:33:47 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=156#p156