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$mvd
leads to calculation of relativistic corrections
for the SCF total density in case of dscf and ridft, for the SCF+MP2
density in case of rimp2 and mpgrad and for that of the calculated
excited state in case of egrad. Quantities calculated are expectation
values
< p2 > , < p4 > and the Darwin term (
1/ZA*ρ(RA)).
Note, that at least the Darwin term requires an accurate description of
the cusp in the wave function, thus the use of basis sets with uncontracted
steep basis functions is recommended. Moreover note, that when using of ECPs
these quantities are not too reasonable (a respective warning is written
to the output).
TURBOMOLE