[Wien] three-dimensional charge density
Tomas Kana
kana at seznam.cz
Thu Aug 1 18:42:29 CEST 2013
Dear Wang Yuanxu,
you may try the XCrysDen code
http://www.xcrysden.org/
There, you can either visualize pre-calculated density or
compute charge density (it has plug-in into wien2k).
When computing charge density, you can choose if you want
2D charge density (Menu File / Open Wien2k / Render pre-Calculated Density)
or 3D charge density (Menu File / Open Wien2k/ Calculate and Render Density)
Tomas
---------- Původní zpráva ----------
Od: wang yuanxu <wyxphy at yahoo.com.cn>
Datum: 30. 7. 2013
Předmět: [Wien] three-dimensional charge density
"Dear WiEN2k users,
could you tell me how to obtain three-dimensional charge density file in
"rho" format?
I can only obtain two-dimensional charge density.
Sincerely yours
Yuanxu WANG
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