FHI98md is an efficient code to perform density functional theory total-energy calculations for materials ranging from insulators to transition metals. For exchange and correlation both the local density and generalized gradient approximations are implemented. The code has a low storage demand and performs efficiently on low budget personal computers as well as high performance computers. Script to calculate the density of state . Murnagham fit code .
References See references page.
Since September 1999, we offer a manual to use with FHI98md. See the Notes page for details. This includes binaries and the source code. The charge will help us to support the users of the program in case of problems and to provide bug fixes and updates. See the License Terms for FHI98md .