[Pw_forum] vc-relax

Alvaro Santos Alves asa at uefs.br
Tue Sep 8 19:45:56 CEST 2015


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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150908/27258123/attachment.html>


More information about the users mailing list