LEFG: Difference between revisions
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Description: compute the electric field gradients at positions of the atomic nuclei. | Description: compute the electric field gradients at positions of the atomic nuclei. | ||
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For {{TAG|LEFG}}=.TRUE., the electric field gradients at the positions of the atomic nuclei are calculated using the method of | For {{TAG|LEFG}}=.TRUE., the electric field gradients at the positions of the atomic nuclei are calculated using the method of Petrilli ''et al.''<ref name="petrilli:prb:98"/> | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 00:34, 4 December 2012
LEFG = .TRUE. | .FALSE.
Default: LEFG = .FALSE.
Description: compute the electric field gradients at positions of the atomic nuclei.
For LEFG=.TRUE., the electric field gradients at the positions of the atomic nuclei are calculated using the method of Petrilli et al.[1]