<br><div class="gmail_quote"> Dear PWScf Users and Gabriele<br><br> As I have read in the tutorial_magn.pdf which prepared by Paolo Giannozzi they are too close to each other but not exactly the same as each other and I don't understand the meaning of dosup and pdosup in the pdos_tot file well; but generally I know the definition of DOS and PDOS. Also some values of dosup and pdosup in the pdos_tot file have negative sign ! (at higher energies ) but there are not such negative sign of dosup in the *.dos file. What do the negative values mean?<br>
<br> Truly Yours<br> Koa<br>
<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"> me :<br>
> Dear PWScf Users<br>
><br>
> It seems that "dosup" and "pdosup" which are in the pdos_tot file must<br>
> be equal and really they are equal in many cases. But in some cases<br>
> they differ a very bit with each other. I think that the origin of<br>
> this very small difference is only the numerical procedure and not any<br>
> physical one. Am I correct ?<br>
<br></blockquote><div> Gabriele : <br></div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
I don't think your statement is correct. DOS (density of states) and<br>
PDOS (projected DOS) are not the same quantity (otherwise why should one<br>
give them distinct names?). Please spend some time in searching their<br>
respective definitions (on textbooks, in the forum archives, or even<br>
looking at the code itself).<br>
<br>
<br></blockquote></div><br>
</div><br>