[QE-users] Regarding bands

[Satyasiban Dash ph19d005]

Dear Users
 I have been trying to calculate a heterostructure with a slab model. I
have followed most of the examples given in the forum and tried it still I
am getting a metallic band structure. I have used the K-path generation
tool provided in "material project" website  to generate k-path. I have
given the scf and bands.in file as attached files. Please have a look.
Experimentally this system has a wide band gap.


Thanks.
Satya
Research Scholar
IIT Madras.
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