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Detailed Information URL: http://www.wfu.edu/~natalie/papers/pwpaw/man.html Title: Projector Augmented Wave (PAW) Description: The program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the projector augmented wave (PAW) method. The pwpaw code is a plane wave implementation of the PAW method developed by Blochl for electronic structure calculations within the framework of density functional theory. By Natalie Holzwarth. Directory: Computers/Programming/Languages/Fortran/Source_Code/Chemistry | |||
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