Imtiaz Bin Reaz

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Questions related from Imtiaz Bin Reaz

Why my PCDAT file contains only one column instead of four?

I ran an MD simulation for GaAU alloy in Vasp with a supercell created using Vesta. The PCDAT file should contain 4 columns giving me the pair correlation function for each species. But my PCDAT...

25 May 2023 6,190 0 View

How to create POSCAR file for liquid alloys ?

I want to simulate a liquid metal alloy using VASP. Will there be any differences between the POSCAR file of solid and liquid?

24 April 2023 5,943 0 View