[MMTK] nMoldyn Q-resolution

Jose Borreguero borreguero at gmail.com
Tue Nov 4 15:55:59 UTC 2008


Dear nMoldyn developers,
Why the need of a Q-shell when averaging over over different Q-directions ?
I am doing incoherent scattering calculations and as far as I understand,
there is no need to define a reciprocal lattice. Is this right?
Best regards,
-- 
Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
phone: 865-241-3071 fax: 865-576-5491
Email: borreguerojm at ornl.gov
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