Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » Where can I find the kinetic energy density in CPprop.txt? » 2020-04-08 14:13:30

abhijitrkjr
Replies: 2

I need to calculate the value of −G c /V c ratio can be used (G c : kinetic energy density, V c : potential energy density) to predict the nature of interaction. In the CProp.txt file I could find the potential energy density, but there is no kinetic energy density.

Board footer

Powered by FluxBB

Baidu
map