Representation surfaces of second-order ADTs
Kuhs, W. F.,
International Tables for Crystallography
(2013).
Vol. D,
Section 1.9.4.1,
p.
[ doi:10.1107/97809553602060000908 ]
in the case of a second-order tensor as a trivariate Gaussian distribution,
On comparing (
1.9.4.3) and (
1.9.4.5), it is evident that (
1.9.4.3) defines a surface of constant probability of finding a (displaced) atom. The integral ...
Higher-order representations
Kuhs, W. F.,
International Tables for Crystallography
(2013).
Vol. D,
Section 1.9.4.2,
p.
[ doi:10.1107/97809553602060000908 ]
it is more appropriate to display only the difference between the total p.d.f. and the related Gaussian p.d.f., which may be calculated from the second-order displacement tensor using equation (
1.9.4.5) . Here, the second-order terms that were refined ...
Graphical representation
Kuhs, W. F.,
International Tables for Crystallography
(2013).
Vol. D,
Section 1.9.4,
p.
[ doi:10.1107/97809553602060000908 ]
of the atomic DWF, the atomic probability density function P (u), is given in the case of a second-order tensor as a trivariate Gaussian distribution,
On comparing (
1.9.4.3) and (
1.9.4.5), it is evident that (
1.9.4.3) defines ...
