[Fsatom-comm] frequency calculation in crystal
David van der Spoel
fsatom-comm@www.tddft.org
02 Dec 2003 13:27:14 +0100
Hi
Is anyone aware of a qchem program to do frequency calculations in a
crystal?
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel@xray.bmc.uu.se spoel@gromacs.org http://xray.bmc.uu.se/~spoel
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