Though this version does not contain our recent work on linear scaling methods, it is a significant improvement over the previously released version of DeFT as the SCF convergence is improved and redundant internal coordinates are used for the geometry optimizations. Once our linear scaling routines become less experimental, more robust, we will release them at the above web site. Please also note that DeFT does have gradient-corrected functionals, but hybrid (i.e., B3LYP) functionals are not included as the requisite four-center/two-electron integrals are not a part of DeFT. Basis sets for all elements up to Xe are included.

DeFT is freely distributed to any researcher. This version runs on all platforms to which we have access: a Pentium running under RedHat Linux, an IBM RISC workstation, and a Cray T3E (it runs efficiently over a limited number of processors, depending on the problem). To run in parallel, MPI must be installed on your system.