ABINIT Discussion Forums

There is a bug in probably all versions of abinit as concerns the M-resolved spin-polarized DOS. I found in in versions 6.6.1, 6.10.2 and 6.12.1. Namely, the M-resolved DOS is printed in such a way that that DOS from spin-down states in the *DOS_AT???? files contains the sum of spin-up and spin-down...

The build system of Abinit provides the --with-mpi-level option for broken MPI2 implementations. Please see ~abinit/doc/config/build-config.ac for details. I am aware of the "with_mpi_level" option. I tried it (my implementation is MPI1 actually; it maybe in some way broken but certainly ...

I found a weird problem with the way the configure script recognises the mpi1 and mpi2 versions of MPI installation. If I let the configure script decide by specifying "with_mpi_prefix" directory, it incorrectly sets MPI to MPI2 while in fact the installation is MPI1. As a result, the comp...

For some builds and/or machines, problems may occur in energy.F90 when ph1d is copied to gs_hamk%ph1d via gs_hamk%ph1d(:,:) = ph1d(:,:) Namely, the array ph1d is not defined for all indices (it is set in getphd called by scfcv), because its dimentions are determined by the largest of numbers ngfft(1...