ABINIT Discussion Forums

Dear all, I am sorry if this question has already been asked/answered, but I have searched through the forum and could not find an answer specific to my issue. I have access to a 28-processor machine, and I would like to use it for making calculations in parallel in Abinit. Before even trying to ins...

Dear all, My work involves the implantation of helium ions in oxides, such as Ga2O3 in the present case. I would like to study a supercell (40 atoms), in which the central Ga atom is replaced by a helium ion. Actually, ideally it should be a helium ion (charge +1e) instead of a gallium ion (charge +...

Dear all, I am trying to use the test script libxc/Input/t42.in, which is designed for hybrid functional calculation of diamond structure, with a monoclinic primitive unit cell (space group 12). Before that I ran some convergence tests with the relevant gga potentials without hybrid, and that worked...