Dear all, I am working on base centered orthorhombic structure with space group 64. I run complete phonon dispersion for this compound, but i want to calculate thermodynamic quantities such as specific heat, thermal expansion for this compound. Whether it is possible to calculate these things using QHA for base centered orthorhombic structure in pwscf???
with regards S.Appalakondaiah Research scholar HCU Hyd-500046 India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120729/3f81b4f9/attachment.htm
