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Im new to quantum espresso and i wanted to detect the d33 value of a pervoskite crystal. Apart from this I would be nice to obtain the PE loop also. can anyone share the input files for such a...
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Bandgap obtained for a particular material from tauc plot is 5.6 eV (UV in water solvent) and its functionalized version has the value of 3 eV. The same result is not observed in solid state UV...
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