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. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110629/f6dc2572/attachment.htm
