[Pw_forum] gipaw quartz example

[Goranka Bilalbegovic]

Hello,

In the GIPAW example for quartz, the nuclear quadrupole moment of 17^O is
written as: Q_efg(2)= +2.55 (also in the qe-forge CVS Repository). According
to P. Pyykko: Mol. Phys. 106 (2008) 1965-1974, it should be: Q_efg(2)=
-2.56.

This new and revised "Year-2008 Nuclear Quadrupole Moments" table by Prof.
Pekka Pyykko is also available at:
http://www.chem.helsinki.fi/~pyykko/Q2008.pdf
The same value is on the WebElements:
http://www.webelements.com/oxygen/nmr.html


Best regards,
Goranka

---
Goranka Bilalbegovic, Department of Physics,
Faculty of Science, University of Zagreb, Croatia
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