[Pw_forum] Relax structure after getting the cell

[loc duong ding]

> > I know enthalpy is the energy of system at constant pressure.
> 
> really? I knew that H=E+PV
I am sorry for my stupid confusion. 

Anyway, what value (energy or enthalpy) should I use to compare the stability of ground state of two systems?

 -----------------------------------------------
Loc Duong Dinh
Ms-Ph.D Student
Sungkyunkwan Advanced Institute of Nanotechnology,
Sungkyunkwan University,
Suwon, 440-746, Korea 
Email: mambom1902 at yahoo.com