Search found 3 matches

by mhoffmann84
Thu Jul 09, 2020 12:00 pm
Forum: Ground state
Topic: Integer magnetic moment for half-metals
Replies: 0
Views: 3289

Integer magnetic moment for half-metals

Dear Abinit Community, I was wondering, if Abinit can give also integer magnetic moments for half-metallic systems, meaning 100% spin polarization for applications in spintronics. We are studying Sr2FeMoO6 with different methods and obtained an half-metallic DOS (only one spin channel occupied) with...
by mhoffmann84
Wed Jul 08, 2020 1:35 pm
Forum: Configuring and compiling ABINIT
Topic: Configure says HDF5 and netCDF have MPI support but the code doesn't (v9.0.4)
Replies: 4
Views: 8827

Re: Configure says HDF5 and netCDF have MPI support but the code doesn't (v9.0.4)

Dear jbeuken, thanks for the quick reply. Yes it is ubuntu. Here is the output: ii hdf5-helpers 1.10.0-patch1+docs-4 amd64 Hierarchical Data Format 5 (HDF5) - Helper tools ii libhdf5-100:amd64 1.10.0-patch1+docs-4 amd64 Hierarchical Data Format 5 (HDF5) - runtime files - serial version ii libhdf5-cp...
by mhoffmann84
Tue Jul 07, 2020 9:44 am
Forum: Configuring and compiling ABINIT
Topic: Configure says HDF5 and netCDF have MPI support but the code doesn't (v9.0.4)
Replies: 4
Views: 8827

Configure says HDF5 and netCDF have MPI support but the code doesn't (v9.0.4)

Hi there, I was playing around with the libraries and configure on my workstation for abinit9.0.4. and finally was happy that configure states that HDF5, netcdf and netcdf-fortran have a "yes" in the last table with MPI support. Now I started a quick calculation and the code itself states that those...