[Pw_forum] atom positions in terms of alat

Payam Norouzzadeh payam.norouzzadeh at gmail.com
Thu Jan 12 16:48:13 CET 2012


Dear Q.E users
I have a simple question: atom coordinates in terms of alat and after
relaxation  should be the same for different lattice constants.
Regardless of the lattice constant the atom position for atom number 1 in a
system should not change.
For example, for lattice constants 10 or 12 angstroms it should be 0. 0.5
0.25.It must be scaled.Is that correct?
Best regards,Nima Pirouzmand
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