I am trying to calculate positron parameters for carbon vacancy in 3C-SiC with 215 atom supercell.
I get “Segmentation fault” error while starting positron SCF after converging electron SCF.
For positron SCF, one of the Dij value is found to be >50.
But 8 atom unit cell and 64 atom supercell calculation successfully completed both steps even with same >50 Dij value.
Since potentials are generated from the JTH input files, I have not tried the suggestion given by abinit to check potentials.