Custom geometry input for Vampire (pyramidal XYZ structure)

[Tiago Silva]

Hi Vampire users and Vampire development team,

Normally, we use util/vdc/vdc --xyz to visualize the generated structures. I have created a pyramidal structure in XYZ format and would like to use this structure as an input geometry (or template) to run a simulation in Vampire 7.

However, the XYZ structure is only generated after the create function is called in the input file. As a result, I am unable to directly use the structure as an input geometry for the simulation.

Could someone please advise on how to use an externally generated XYZ file as an input geometry in Vampire 7, or whether it is possible to bypass the create stage so that the simulation can directly use a predefined structure? Alternatively, is there a way to define my object as a custom-created structure type within Vampire?

Thank you very much for your time and support.

Best regards,
Tiago Silva
Physics student
Federal University of Minas Gerais (Brazil)

Pyramidal XYZ structure generated: 

[Richard Evans]

Hi Tiago,

Yes, you can do this using the unit cell format (.ucf), but you have to define the positions and exchange interactions yourself - there are some examples in the utilities folder in the vampire source code. Alternatively, you may be able to modify the code in src/create/faceted.cpp to generate only a pyramid.

All the best,

Richard

Pyramidal XYZ structure generated: <pyramidal.jpeg>

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<pyramidal.jpeg>