Corrections to results of electric field gradient (EFG) already published [Pramana — J. Phys.41, 443 (1993)] are reported. The corrected net EFG is:q=−8.01×1013 esu/cm3 against the published valueq=16.06×1013 esu/cm3. The present result agrees reasonably well with the experimental result, |qexpt|=13×1013 esu/cm3.
Recently, a computational error is detected, which modifies the results of EFG, we have already published . The error was committed mainly in the part that evaluated thep-p contribution  to EFG by the conduction electrons. The corrected results are summarized in table 1 which must replace the table 1 of the published work .
In addition, the lattice parameters as well as the temperature were also misquoted in the previous work . The right parameters are:a=6.25311 au andc=9.96509 au. The temperature at which EFG’s are calculated is 293 K instead of 11 K as reported before .
The discussions and conclusions made in the published work  remain almost unchanged except that they now refer to the corrected numbers. Although the corrected net EFG suffers a sign reversal from the one already published , the agreement with experiment is still considered reasonably good because the sign of experimental EFG is not determined. The computational error however does not affect the introduction and theory section of the published work .
Volume 96, 2022
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode