Hi Francesco,here is my input file. I have 4.38A lattice constant, so 6.05A is definitely some wrong value (it is probably the Cd-Cd distance but not the lattice constant).
Alex.
CdSe_wurtzite.fdf
Description: application/vnd.fdf
Hi Francesco,here is my input file. I have 4.38A lattice constant, so 6.05A is definitely some wrong value (it is probably the Cd-Cd distance but not the lattice constant).
Alex.
CdSe_wurtzite.fdf
Description: application/vnd.fdf