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- Fri Jun 19, 2020 1:16 pm
- Forum: Ground state
- Topic: Ground state calculation of HCP/FCC Co
- Replies: 0
- Views: 3783
Ground state calculation of HCP/FCC Co
Dear all, I am struggling with calculating the ground state energy of Co in HCP structure. I want to get the energy of formation of some Al-C-Co-Ni compounds (E21 structure) by calculating the differences of ground state energies. The results are really good for Al-FCC, C-DIAMANT, Ni-FCC and their c...