Phonon calculation (ph.x, q2r.x, matdyn.x in PH folder) + QHA method~ -- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea
At 2011-07-16 21:37:23?"bamidele ibrahim" <bamideleibrahim at yahoo.com> wrote: Dear all, I am interested in studying the effect of temperature on the vibrational contribution to the free energy, enthalpy, heat capacity. So, i don't know if the pwscf can do this. I will appreciate an idea on how to do this if it is possible to do it will pwscf. Thanks, Ibrahim 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/20110717/5f1cf2b3/attachment.htm
