Is ENVIRON the correct tool for aperiodic systems?

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Yuvam Bhateja

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Nov 10, 2024, 5:29:00 PM11/10/24

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Greetings experts,

My search for a way to simulate a partially periodic system with Quantum ESPRESSO led me here. I have no experience with ENVIRON plugin but I was wondering if it is the correct tool for me to simulate a partially periodic system like the edge for a large crystal structure array.

I also welcome all the suggestions and insight that will direct me to the right path.

Regards,

Yuvam

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