nvcenter calculation using HSE06 functional and DO-MOM
- tri_gs_relax contains the relaxed triplet ground state calculation
- tri_gs_relax contains the relaxed triplet excited state calculation (without C3v symmetry)
- half-occupation contains the relaxed triplet excited state calculation (with C3v symmetry)
- sin contains the not-relaxed singlet states calculation
- spin-purified-forces contains the relaxed 1a1 singlet states calculation with spin-purified forces