[Wien] reg: DOS at fermi level

[Xavier.Rocquefelte at cnrs-imn.fr] Gesendet: Samstag, 12. November 2011 15:06 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] reg: DOS at fermi level Dear Swetarekha Ram, You should take into account the interstitial region in such calculation. The DOS in the interstitial region is a contribution

[Wien] reg: DOS at fermi level

[swetarekharam at gmail.com] Gesendet: Sonntag, 13. November 2011 13:34 An: wien at zeus.theochem.tuwien.ac.at Betreff: Re: [Wien] reg: DOS at fermi level I have a small doubt on DOS at Fermi level. I want the value of N(E_F) for my compound. According to my idea, we will get this value form

[Wien] reg: DOS at fermi level

It was my point in my first reply. You should consider the total DOS. I don't know how many formula units (f.u.) are taken into account in your structure file. If you have only one formula unit, then the total DOS is given in eV/States/f.u. In contrast if the multiplicity in your structure file

[Wien] reg: DOS at fermi level

] reg: DOS at fermi level It was my point in my first reply. You should consider the total DOS. I don't know how many formula units (f.u.) are taken into account in your structure file. If you have only one formula unit, then the total DOS is given in eV/States/f.u. In contrast if the multiplicity

[Wien] reg: DOS at fermi level

. November 2011 15:03 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] reg: DOS at fermi level It was my point in my first reply. You should consider the total DOS. I don't know how many formula units (f.u.) are taken into account in your structure file. If you have only one formula unit

[Wien] reg: DOS at fermi level

Dear Prof. Blaha and wien users I have a small doubt on DOS at Fermi level. I want the value of N(E_F) for my compound. According to my idea, we will get this value form case.dos1ev file. But the total DOS in this file is DOS due to the atoms and also due to interstitial region. So how can I