In this project, we calculate the maximally localized wannier functions of a carbon chain and silisine by using FPLO and WANNIER90 packages. First the Marzari and Vanderbilt algorithm for finding the maximally localized wannier functions and the WANNIER90 code which is based on this algorithm, is introduced. We also introduce the Full Potential Localized Orbital method implemented in the FPLO package. Then the structural and electronic properties of carbon chain and silisine are calculated. Next,we use the Python script language and the results obtained within FPLO to develop a program for calculating the overlap and initial guess matrix which are required for Wannier90. Finally, the maximally localized wannier functions of carbon chain and silisine are calculated. in this procedure, the hybrid density of state are also computed .
