Can I use vc-relax to optimize the value of lattice constant in ZnO wurtzite
structure?Because the lattice constant change and also atomic positions either.
After finishing the run, Which atomic position shoud be used in next
calculation(relaxed position or initial positions)? How can I optimize the
value of u that is ideally equal to 3/8?
thanks a lot
Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran. Tel-1: +98 311 391 3733
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
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