Hi all. I'm trying to use the vc-relax to optimize the cell. However, after reaching convergence, PW does not write the final coordinates nor the new vectors of the crystal lattice. Can someone please explain what's going on?
Regards, Álvaro Santos Alves Universidade Estadual de Feira de Santana, Bahia, Brazil Departamento de Física Laboratório de Física de Materiais.
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
