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Hybrids function + virtual crystal

Posted: Thu Jul 14, 2011 5:17 am
by Mutta
Dear all
How can I set hybrid function on abinit as input file or tutorials file ?
Can I used hybrid function plus with the virtual crystal approximation (VCA) ?

Thank you
Abdulmutta

Re: Hybrids function + virtual crystal

Posted: Thu Jul 14, 2011 7:21 pm
by jzwanzig
Do you mean a hybrid functional, like B3LYP? I don't believe that abinit supports these at this time. It might be under development, though.