[Pw_forum] Structural relaxation

[Marcos Verissimo Alves]

Hi all,

It's been a while since I last used PWSCF, and I am about to restart using it
now. I have a really basic question (PWSCF 101 :) ): I want to perform a full
structural optimization using PWSCF, that is, I would like to find the
lowest-energy atomic coordinates and cell lattice vectors, perhaps through a
CG or any other suitable relaxation method. I seem to remember that this
option existed in the 1.x versions of PWSCF, but in the newer versions I can't
find the appropriate variables to set this option. Can anyone help me with that?

Thanks,

Marcos

----
Dr. Marcos Verissimo Alves
Departamento de Física
Universidade Federal de São Carlos
São Carlos, SP - Brasil
http://joselitosn.df.ufscar.br/~dm/equipe/verissim.htm
***********************************
Dr. Marcos Verissimo Alves
Physics Department
Universidade Federal de Sao Carlos
Sao Carlos, SP - Brazil
http://joselitosn.df.ufscar.br/~dm/equipe/verissim-en.htm