Pwpaw

PWPAW A Projector Augmented Wave (PAW) code for electronic structure calculation. It is a free software package, distributed under the very liberal GNU General Public License. It is a plane wave implementation of the Projector Augmented Wave (PAW) method developed by Peter E Blochl for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecular dynamics simulations within the Born-Oppenheimer approximation. [ [http://www.wfu.edu/~natalie/papers/pwpaw/man.html Project augmented wave] ,www.wfu.edu, undated (accessed 21 January,2007)]

References

ee also

* Atompaw Software package for electron configuration calculations
* EXCITING
* Bloch wave