QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on March 28, 2014, 19:24

Title: Electron density-reg
Post by: GJK on March 28, 2014, 19:24

We get some figures for electron density and electron diference density in simulation

What does the colours and mapping say about in ATK

Thanks in advance

Title: Re: Electron density-reg
Post by: zh on March 29, 2014, 08:01

Do you understand the concepts of "electron density and electron diference density"? Have you taken a look at the manual:
http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/chap.atkdft.html#sect1.atkdft.background