[Pw_forum] how to calculate elastic constants

[bamidele ibrahim]

Dear all,
I have two questions which  i needed an assistance on how to go about it. I will be delighted if anybody in the forum can come to my aid.
The first question goes as:
  How can i  calculate the elastic constants(C11,C12 and C44) at (0 K) and (0 GPa) of a semiconductor compound using pwscf ?.
  The second question:
  In studying the phase transition, we need to analysed the enthalpy variation with pressure. Where the enthalpy(H) = E + PV. So, how can this be implemented using pwscf?
These are my questions.
   

Adetunji Bamidele Ibrahim

Department of physics,University of Agriculture,

Abeokuta, Ogun State,Nigeria.
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