the magnitude of the output potential from quantum espresso and VASP don't match. I used the same type of pseudopotentials and van der walls. Is it just the units are not the same or something else?
hello, Muhammad Hamza El-Saba I calculated the average electrostatic potential using quantum espresso.
Md. Yasir Zamil
If you use the same input parameters in terms of units, same crystal and same pseudopotential types : (PAW, US, NC), they are must be in good agreement. (minor differences are acceptable.) If you need more agreement between the two results, you have to use the exactly same pseudopotentials, which are practically so challenging to use exactly the same pseudopotential in VASP and QE.
I am not an expert in either code, but I *think* that VASP output is in eV and QE output is in Rydbergs.
Be aware that the electrostatic potential includes a contribution from the pseudopotentials, so if you want detailed equivalence you will need to use the same pseudopotentials (not just the same type, the exact same pseudopotentials).
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