Informative video indeed. Thanks. Could you describe how to generate semicore pseudopotential (for example, for silicon or sodium) which can be used in Quantum Espresso?
@mekrajavel7183 жыл бұрын
Sir, I tried to download the pseudopotential from PS library. But it was not downloaded?
@chiragjain51762 жыл бұрын
Sir i need your help. Sir my project in about calculating Piezoelectric tensor of monolayer Mos2. Sir is it possible to do in quantum espresso. Sir how we have to do ??
@ahmedabuali68243 жыл бұрын
Is there Pseudopotential files for III-V group ?
@upasananath2514 жыл бұрын
Sir, can you please make some video on pseudopotential? Why it is required in calculation on QE?
@HIRENP4 жыл бұрын
PPs considered core electron as chemically inert and approximate the potential by expressing only for valence electrons. which reduces time of calculation.