Dear prof. Eyvaz Thanks for your help.
Actually i have hit the question wrongly. Suppose if i sum all the states (s, p and d states) of a 3d element it means that its summing the s states, px, py and pz and 5d orbitals. which is nothing but the contribution to the total density of states from the particular 3d element.... Is that right???? Anyway i can do it my own and check it Thankyou for your help Integrating PDOS you will get number of electrons for that particular state. Is that what you want? > just to clarify my doubt...projwfc.x gives 5 d orbitals for particular 3d >element. This sounds unlikely. Check your Pseudo-file. > will sumpdos.x gives the contribution of that particular 3d element to the >total density of states???? If you specify all states for a given atom then you will obtain what you mean. >Exactly what sumpdos.x does??? only summing up or is there something important >elementary thing i am >missing???? Exactly summing up of these Partial DOS which you specified. No more, but no less. Bests, Eyvaz With regards K. Ramesh Kumar Research Scholar Department of Physics IIT-Madras Chennai-600 036 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100809/8ad210f9/attachment.htm
