dear Bedamani
thank you so much for your reply, by shifting the DOS curve, two curves were
matched
thanks a lot
________________________________
From: bedamani singh <[email protected]>
To: Mehrzad Sasanpoor <[email protected]>
Sent: Monday, October 15, 2012 8:31 AM
Subject: Re: [SIESTA-L] PDOS and DOS
Dear Mehrzad,
I think you have plotted DOS with eig2dos in the utility, which shifts the
fermi energy to zero. Please check while plotting the PDOS, whether the energy
levels are shifted or not.
On Sun, Oct 14, 2012 at 12:46 AM, Mehrzad Sasanpoor <[email protected]> wrote:
dear siesta users
>I translated EIG file of my output to data and plotted DOS of my typical
>system (benzene molecule) versus of energy, then I plot PDOS of C2pz orbital
>of my system.
>I expected that the peaks of PDOS is matched with some of the DOS peaks . but
>I didn't have DOS peak in some PDOS peaks
>do I think incorrectly? I confused!
>
>I become very thankful for replies
>
>
>thank you so much for attentions
>
>
>
>
>
>
