[Wien] Why unit cell energy is same on increasing pressure ? and Band gap problem with pressure.

[Stefaan Cottenier]

> May you carefully analyze the data to find where is the actual problem.

I don't see any problem. Your energy nicely increases with pressure, and 
as you appear to have done an equation of state fit you have determined 
the pressure in the right way.

About the band gap: I'm not familiar with band gaps as a function of 
pressure, but as you are dealing with changes in the range of 0.1 eV it 
looks quite optimistic to draw any conclusion (computationally as well 
as experimentally).

Stefaan