Multiwfn forum

pmcardle

Member

Registered: 2019-03-18

Posts: 11

basin analysis

Is it possible to get the result of integrating the electron density i.e. the list of basin,  Integral(a.u.), Volume(a.u.^3)
written to a file?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: basin analysis

You can copy the output information directly from console to a text file, please check 5.4 of Multiwfn manual on how to do this. Alternatively, you can use silent mode to run Multiwfn, so that all output information could be redirected to a specific text file, see Section 5.2 of Multiwfn on how to run via command-line mode.

pmcardle

Member

Registered: 2019-03-18

Posts: 11

Re: basin analysis

Many thanks for you quick reply and for your excellent program.