[CPMD-list] Fd and LR in vibrational analysis

Juerg Hutter hutter at pci.unizh.ch
Thu Nov 23 14:19:14 CET 2006


Hi

>
> I am just wondering where I can get detailed description of the FD and LR
> methods used for vibrational analysis in CPMD, for example, the original
> references. Thanks a lot.
>

See Reference 94 in the manual

\bibitem{apdsmp} A. Putrino, D. Sebastiani and M. Parrinello,
J. Chem. Phys. {\bf 113}, 7102 (2000)


regards

Juerg Hutter



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