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Electron density-reg
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Topic: Electron density-reg (Read 2480 times)
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GJK
QuantumATK Guru
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Electron density-reg
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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
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zh
Supreme QuantumATK Wizard
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Re: Electron density-reg
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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
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Electron density-reg