[Pw_forum] relax calculation for some atoms in the structure

Tram Bui trambui at u.boisestate.edu
Wed Nov 16 23:07:54 CET 2011


Dear QE users,
    I'd like to do a relax calculation for only certain atoms in my
structrure while keeping some other ones fixed, but I have not been able to
find out how to do so. Would you give me some suggestions? anything would
be appreciated.
Regards,
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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