Dear PWSCF users<br><br>I have a queston about bulk modulus and pressure of a system.<br>We know from thermodynamics that the energy of our electronic<br>system is E=TS-PV+μ
N.In the zero temrature(T=0) we have E=-PV+μN and p=-∂E/∂v.In the limit of born openhimer approximation with freezed ions, we can calculate the pressure of our system(electrons+ions) by partial derrivative of energy with respect to volume of system.But in literature I see that calculate pressure from this term: p=-dE/dV and neglect the ∂E/∂μ term.Is it correct?<br>
In the zero temrature chemical potential is equal to fermi energy and We should expect that the fermi energy have no changes by variation in volume of system.Is it correct for finite temratures,too?<br><br>Best Regards<br>
Meysam Pazoki<br>SUT<br>