[Pw_forum] Doubt in band plot

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Sat May 7 20:45:42 CEST 2011

Hi All

I am plotting band structure for cubic SiC. Got good shape when compared. SiC has an indirect band gap. Next I tried to plot the band structure of cubic SIC with a supercell. I have expanded the lattice constant by twice in all direction and generated supercell with Phonon code. Now the band plot of this supercell shows direct band gap. how is this possible? It is expected that even if the supercell should produce the same band plot. Please suggets.

Thanking in advance
Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India
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