<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Ramesh,<br><font face="Tahoma" size="2"><b><span style="font-weight: bold;"><br>>From:</span></b> ramesh kumar <raamesh123@rediffmail.com><br><b><span style="font-weight: bold;">> </span></b></font>Last month there was a question how to integrate PDOS???<font face="Tahoma" size="2"><b><span style="font-weight: bold;"></span></b></font><br><div><br>Integrating PDOS you will get number of electrons for that particular state. Is that what you want? <br><br>> just to clarify my doubt...projwfc.x gives 5 d orbitals for particular
3d element.<br><br>This sounds unlikely. Check your Pseudo-file.<br><br>> will sumpdos.x gives the contribution of that particular 3d
element to the total density of states????<br><br>If you specify all states for a given atom then you will obtain what you mean. <br></div><br>>Exactly what sumpdos.x does??? only summing up or is there something important elementary thing i am >missing????<br><br>Exactly summing up of these Partial DOS which you specified. No more, but no less.<br><br>Bests,<br>Eyvaz<br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;"></span></b></font><font
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