DYNAMICAL MATRIX reference

[kai]

Dear Prof. Henkelman,

could you please tell me how to reference DYNAMICAL MATRIX in a manuscript that is about to be out? we used this method to do zero-point energy correction.

with regards,

Kai

[graeme]

If it is standard dynamical calculation to find zero point energies, there are some early 1930's papers by Wigner which can be cited. We describe this as well in the paper:
http://theory.cm.utexas.edu/henkelman/p ... 044706.pdf
but there is no need to cite this.

[kai]

Thanks and we really appreciate this