Is there anyone who can help to calculate the electronic band gap of PrO2 by VASP software ?

03 March 2019 1 449 Report

Is there anyone who can help to calculate the electronic band gap of PrO2 by VASP software ? If there is, then can he or she share me the INCAR file ?

El Tayeb Bentria

go to materials project and create account if you don't have.

go to : https://materialsproject.org/materials/mp-1302/

after examining the results, you can export vasp INCAR

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