Rimsha Irfan

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Questions related from Rimsha Irfan

Can anyone help me to find the problem that why there is difference b/w bandgap of unitcell & supercell of TbMnO3 in CASTEP?

i try to calculate the bandgap of Unitcell and Supercell(2*2*1) of TbMnO3 in CASTEP but there is a difference in the band gap. like the bandgap of unitcell is 0.63 and bandgap of supercell was...

30 August 2023 7,900 1 View

Can anyone help me to find the problem that why there is difference b/w bandgap of unitcell & supercell of TbMnO3 ?

i am trying to find the band gap of unitcell & supercell of TbMnO3 by using CASTEP. But there is a difference in bandgaps like the the bandgap of unitcell is 0.63eV and band gap of Supercell...

30 August 2023 7,780 0 View