<![CDATA[Multiwfn forum / there is someway to convert a file .wfn to .fchk?]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=502 Mon, 17 May 2021 19:09:11 +0000 FluxBB <![CDATA[Re: there is someway to convert a file .wfn to .fchk?]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=1791#p1791 It is impossible. You can only use Multiwfn to convert .fchk to .wfn file. (.wfn file doesn't carry basis function information like .fchk)

]]> Mon, 17 May 2021 19:09:11 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=1791#p1791 <![CDATA[there is someway to convert a file .wfn to .fchk?]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=1790#p1790 dear multiwfn users
I want to know if
is there someway to convert a file .wfn to .fchk?
because after that i want to use the fchk to do a single point with hartree fock in gaussian

]]> Mon, 17 May 2021 18:21:28 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=1790#p1790 久久精品国产99久久香蕉