ABINIT Discussion Forums

got inpatient and removed that, compiled without it, thanks

Jonas

Dear all, I get an inevitable problem during make with wannier, regardless whether it is or it is not specified in .ac file. Confilg.log is attached. Any advice would be appreciated Jonas enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/opt/openmpi" with_fft_flavo...

much appreciated

Jonas

Hi, can't quite find that anywhere, but is there a Grimme-like dispersion correction available with Abinit?

thanks

Jonas

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 vi...