nazari at iasbs.ac.ir wrote: > when I do scf or relax calculation job starts the first iteration but > stop immedietly. with this line in output: > > iteration # 1 ecut= 30.00 Ry beta=0.70 > Davidson diagonalization with overlap
as a first guess I would say "out of memory" Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
