#acl SomeUser:read,write ##master-page:HelpTemplate ##master-date:Unknown-Date #format wiki #language en = BDF Benchmark= <> These data are used to assess BDF and also benchmark CPU and compilers. == Moelcules and basis sets used in benchmarks == ||Molecule || Basis sets|| Natoms || NBFs|| ||DNA-1 || cc-pVDZ || 120 || 2100 || == SCF energy and gradient : ERI and Schwarz prescreeening == Molecule 1 : DNA-1, cc-pvDZ, the basis sets are optimized for general contraction. Molecule 2 : BLC monomer, def2-SVP, the basis sets are optimized for general contraction. Molecule 2 : BLC monomer, def2-SVP, the basis sets are optimized for general contraction.