Dear Ana,
maybe I am a little bit picky here, but actually you
cannot convert U(ij) into U(iso), because U(ij) result from
a fit with anisotropic displacement parameters, while
U(iso) results from a fit with isotropic displacement
parameters. Thus, to convert one into the other means
repeating th
Dear Ana,
I know that the Gretep program (Grenoble Thermal Ellipsoids Plot
Program)can make this conversion.
Best regards,
Mario Macías
Univeersidad Industrial de Santander
Colombia
Dear All,
>
>
>
> How can I convert the anisotropic temperature factors (uij) into an
> isotropic temperatu
Dear Ana,
this is described in Fischer, R. X. & Tillmanns, E. (1988): "The
equivalent isotropic displacement factor". Acta Crystallographica
Section C-Crystal Structure Communications 44, 775-776.
Best regards,
Johannes
Ana Isabel Becerro Nieto schrieb:
Dear All,
How can I convert the “an
Dear All,
How can I convert the anisotropic temperature factors (uij) into an
isotropic temperature factor (Uiso)?
Thank you!
ana
Dr. Ana Isabel Becerro
Instituto de Ciencia de Materiales de Sevilla -
Dpto. Química Inorgánica (CSIC-US)
C/ Américo Vespucio, 49
41092 Se
