<![CDATA[Multiwfn forum / ¿How can I export all the orbitals to cube?]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=964 The most recent posts in ¿How can I export all the orbitals to cube?. Mon, 26 Feb 2024 19:45:26 +0000 FluxBB <![CDATA[Re: ¿How can I export all the orbitals to cube?]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3685#p3685

You can use subfunction 3 in main function 200 of Multiwfn to export cube file(s) for specific range of orbitals, it is extremely convenient.

dummy@example.com (sobereva) Mon, 26 Feb 2024 19:45:26 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3685#p3685
<![CDATA[¿How can I export all the orbitals to cube?]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3680#p3680

Dear Multiwfn team,

I hope this message finds you well,

I want to know if there is a way to export all the orbitals of a molecule to .cub files at once, and not individually.

Best wishes

dummy@example.com (exlonk) Mon, 26 Feb 2024 13:34:19 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3680#p3680
Baidu
map