[Pw_forum] Relaxed atomic positions

[Payam Norouzzadeh]

Dear Q.E users

I've relaxed a structure by using variable cell method (vc-relax). Now I
want to do scf and nscf calculations so I need to have the lattice constant
(which is derivable from unit cell volume) and relaxed atomic positions but
the lattice vectors have been changed during relaxation. They are not equal
to what I had in the beginning of relaxation process. How can I derive the
relaxed atomic positions? Is the last reported atomic position in output
file the one I should use or I have to scale them by last reported lattice
vectors in output file? What is the standard procedure?

Best regards,
Payam Norouzzadeh
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