Extra atom removal in VIESTA

[dd...@snu.edu.in]

Dear VIESTA users,

 I'm trying to visualize our simulated amorphous-TiO2 system using VIESTA. It has 144 atoms, but VIESTA is showing 195 atom. I don't know how to remove these extra atoms from my system. Any suggestions are cordially invited !!!

[Somil Gupta]

Hi

Usually, its the periodic boundary atoms which are counted more than once. One can select and reduce the Boundary, from Objects-> Boundary appropriately (like 1 --> 0.99) to get the actual number of atoms.

,

[Dip Das]

It works !!! Thank you very much.

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Dip Das

PhD student

Department Of Physics

School of Natural Sciences 

Shiv Nadar University

Gautam Buddha Nagar

Uttar Pradesh - 201314, INDIA.

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[sda...@asu.edu]

Hi,

Can you tell me after having a structure in Vesta, How do I export all coordinates of a supercell, because when I am trying to export data in any other format, say Notepad, it gives me the coordinates of the primitive cell only, instead of the super cell?

Thanks,

Srashta

[MAITRAYEE GHOSH]

Hi, 

I am having the same problem. I opened Object -> Boundary, reduced x(max), y(max), z(max) to 0.8 still the atoms did not get deleted. It just zoomed in. Please help.

[Somil Gupta]

Hi,

You can check the bond-length settings in "Edit"->"Bonds"->Do not search atoms beyond the (selected) boundary..

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