Hi, everyone~
is NWChem able to handle with huge systems with (~40000 atoms)?
I saw a brief example of a tiny system in there:
http://nwchemgit.github.io/index.php/Release61:Electron_Transfer
in that instance, an electron was transfered between O- and O.
While, my system is really huge (~40000 atoms), and I really have no idea which atom donates an electron and which atom accepts one.
How to calculate Vrp?
Please lend me a hand~
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