http://www.shanxitv.org/wfnbbs/viewtopic.php?id=964
Mon, 26 Feb 2024 19:45:26 +0000FluxBB
http://www.shanxitv.org/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.]]>Mon, 26 Feb 2024 19:45:26 +0000http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3685#p3685
http://www.shanxitv.org/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
]]>Mon, 26 Feb 2024 13:34:19 +0000http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3680#p3680久久精品国产99久久香蕉