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Questions related from Mousam Charan Sahu
Hi there !! greetings for the day. I want to calculate the band structure of Bismuth ferrite (BiFeO3) using quantum espresso. I have obtained the atomic positions and lattice parameters from the...
30 March 2021 791 7 View
Dear sir/mam Greetings for the day ! (1). I am using quantum espresso(QE) to calculate band decomposed charge density. To my knowledge, the kpoint at which we want to calculate the charge...
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Dear VASP users, I am currently learning the band and DOS calculation using VASP. I want to calculate the band and DOS of a 3x3x2 supercell having 180 atoms. But the VASP code showing the issue...
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