Dear Saeede
What is the unreasonable point ? If you meant the band gap energy you
should have compared the band gap energy of your system with some other
systems then see the trends ! have you checked it out ?
Also, Indium arsenide's band gap is too small and DFT may not predict it as
accurate as
Hi ,
I am trying to see InAs band structure Hybride fucntions:
What I have done is using these pseudos; In.pbe-d-rrkjus.UPF and
As.pbe-n-van.UPF and have automatic 24x24x24 k-points in my scf calculation and
try to see band structure , what I found is not resealable. Do you have any
idea , how
