Hi Dear PWSCF Users I have relaxed structure using variable cell relaxation method (vc- relax) and got the relax cell parameter and atomic cordinates corresponds to total force=0.0004 Ry/A and pressure=0.25 Kbar. I have used the relaxed parameter for my scf calculations but after scf run the pressure become -3 Kbar and force is 0.163 Ry/A. kindly suggest the possible errors.
Thanks -- Mayank BARC Mumbai INDIA
