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Hello Dan-- > I have a problem understanding the results of the covariance analysis. > Does anyone have the exact algorithm for this analysis, not just the > formula. Is there a reference for that? > > My understanding is that when 2 atoms for example are highly > correleated that means that they move with the same interval from the > average structure or they dont move at all but there is no direction > involved in the correlation so I cant say that thier movement are > correlated, dont I?? > While true that this displacement correlation function is different than a velocity correlation function, I expect that the two functions should be similar. What is not so clear from the manual entry is that the displacement is a vector quantity (with direction) - so the covariance entries can be signed. hope this helps-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.3 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEq6gMPK2zrJwS/lYRAsN5AJ9BtHiYGCtp2EnQZdk915YG0nC81QCdF00y G3eeto3oPKEqtqOktXKFEAY= =7bvl -----END PGP SIGNATURE-----
