ABINIT Discussion Forums

Dear all,

I was wondering whether "true" thermochemistry calculation using frequency data are available with Abinit? When I say true, I mean when compared to other quantum codes where frequency calculation analysis is used to calculate thermochemistry at various temperature and pressure via calculating contributions to entropy. This is typically lacking in standard solid state codes, I am not sure if this is the case or not i Abinit since I would love to be able to calculate thermochemistry at different pressure temperature of solid system or molecules adsorbed on surfaces

thanks

Jonas