<pre><font size="4">Respected Prof. and QE users,<br><br>>so, i guess, Na(H) should have diagonal Z* <br><br>Yes.<br><br>>while F could have off <br>>diagonal one and could be non-symmetric ...<br></font><br></pre>
No, it also has only diagonal elements, which are<i><i> (along with H and Na)<br>
(prb 73, 155114, ͑2006, section VII, part-C</i></i>)<br><br> direction H F Na<i><br><br>xx/yy</i> ~0.34 ~ -.7 ~1.06<br>zz ~2 ~ -1.5 ~ 1<br>
<br><br>Thank you.<br><br>with regards,<br>Sonu<br>IITD<br>