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Lab 2: Downloading CIF and Pseudopotential files using various methods

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HIREN P

HIREN P

Күн бұрын

Пікірлер: 7
@happyworld1849
@happyworld1849 Жыл бұрын
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?
@mekrajavel718
@mekrajavel718 3 жыл бұрын
Sir, I tried to download the pseudopotential from PS library. But it was not downloaded?
@chiragjain5176
@chiragjain5176 2 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 ??
@ahmedabuali6824
@ahmedabuali6824 3 жыл бұрын
Is there Pseudopotential files for III-V group ?
@upasananath251
@upasananath251 4 жыл бұрын
Sir, can you please make some video on pseudopotential? Why it is required in calculation on QE?
@HIRENP
@HIRENP 4 жыл бұрын
PPs considered core electron as chemically inert and approximate the potential by expressing only for valence electrons. which reduces time of calculation.
@upasananath251
@upasananath251 4 жыл бұрын
@@HIRENP Thank you sir
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