[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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