Could anyone kindly share the atomic coordinates for monolayer 1T-TaTe₂ in a hexagonal lattice?

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Leaf area of tomato ?

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Which free software is preferable for DFT calculations?

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Ricardo Tadeu Maia

Hello Sakshi Vijay

The best method to create an input for DFT, but for Quantum ESPRESSO, is BURAI software. Although it only works for QE, I think it is the best free software to create a slab. It's much easier than any other software I tried. I can help you with this.

Best regards,

Dr. Ricardo Tadeu

Sakshi Vijay

Thanks for the information .

kind regards,

Sakshi