[Pw_forum] vc-relax calculation

[Elham]

Dear David

Thank you very much for  answer my question.

First I vc-relax the pure surface (obtain a b c) and then different
molecules adsorb on surface do vc-relax (a b c) a slightly changed.

for comparison result It is problem?

Best Regards
Elham
Ph.D. Student of Chemistry
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