Author Topic: Electron density-reg  (Read 1549 times)

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Offline GJK

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Electron density-reg
« 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

Offline zh

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Re: Electron density-reg
« Reply #1 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