<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif">Hi dear users and developers, <br></div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif">I have a question regarding the chemical shielding convergence using Gipaw. As the best of my knowledge, the f-sum rule parameter is an indicative of the convergence, corresponding to the number of valence electrons. I use a criterion of 0.01 for the absolute error in the f-sum rule tensor principal components. I'd like to know if this criterion is correct? I mean ... should I take the absolute error ? or the relative one? <br></div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif">Regards,</div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif">Alan,</div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif">Federal University of Espirito Santo, Vitoria, Brazil.<br clear="all"></div><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><br></div>Alan J. Romanel Ambrozio<div>Bacharel em Física </div><div>Mestre em Eng. de Materiais<br></div><div>Doutorando em Física - PPGFis<br></div><div> </div><div><br></div><div> <br></div></div></div></div></div>
</div>