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- Fri Mar 15, 2019 9:09 am
- Forum: Ground state
- Topic: Ga-N dimer
- Replies: 1
- Views: 1711
Ga-N dimer
Hello, I try to compute cohesive energy (Ecoh) and equilibrium distance (req) of Ga-N dimer. From previous computations I have results of N-N and Ga-Ga dimers which are consistent with references. But I still have wrong results for Ga-N dimer (Ecoh = 0.8eV ref. 2.4eV, req = 1.75A ref. 1.9A). The bes...