nicholashestand/exciton_para
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This repository contains some utility programs that can be used to parameterize the Holstein Hamiltonian. For details, please see the CalculationDetails.pptx power point presentation. The programs can be compiled using make and the supplied makefile. Some of these programs rely on the lapack math library, which will need to be installed on the machine you plan to use. The programs analyzes calculations performed by Gaussian09, so you should also have access to that program for this repository to be useful to you. These programs can also make input files for Gaussian09, please see the CalculationDetails.pptx power point presentation for details. This repository also contains the input files used in the examples in the CalculationDetails.pptx power point presentation.