[QE-users] atomic positions/coordinates for single molecule

ludwigboltzmann.sc10 at nycu.edu.tw ludwigboltzmann.sc10 at nycu.edu.tw
Tue Feb 20 09:14:19 CET 2024


 Dear Mr. Hammand,
These are several websites I often referred to, hope it helps.
https://www.ccdc.cam.ac.uk/structures/https://materialsproject.org/materials/mp-995203/#https://materialsproject.org/materials/mp-995214/#https://next-gen.materialsproject.org/materials?elements=C%2CH%2CN%2CPbhttps://www.ccdc.cam.ac.uk/structures/http://www.crystallography.net/cod/search.html Hsin-Ying Lu
    在 2024年2月20日 星期二 上午04:12:37 [GMT+8], Tarek Hammad<hammad_tarek at hotmail.com> 寫道:  
 
 Dear all

How can I obtain the atomic coordinates for single molecules??? for 
solid state, It is well known for me.

Thanks a lot in advance.

Tarek Hammad.

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