How are interfaces created for VASP-DFT calculations ?

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Deep Choudhuri

Many thanks for your inputs.

While my eventual goal is to evaluate interfacial energy , currently I am trying create an interface between two phases. Any inputs towards interface creation (like a howto guide) will be much appreciated

Mudar Ahmed Abdulsattar

Gaussian 09 program is also a nice program to calculate interface energy, however it is not free.

Muhammad Zeeshan Khalid

The most useful tool for developing interface is ASE-GUI (https://wiki.fysik.dtu.dk/ase/ase/gui/gui.html). You need to have basic understanding about python. I highly recommend this tool for developing crystal structures.