[Wien] about the nitrogen 2p states

[xn22 at drexel.edu]

I personally don't like the sentence in this email list as a scientific discussion
forum. 

I just want to say that your fermi level was definitely wrong for single N_substitution of since for N all 
N-p and O-p are occupied even the highest N-p is half filled. I did those calculations
for both DOS and bandstructure. WIEN is very good code but people who use it must have
engough wisdom to analyze the output results. For multi N-substitution it could be true
due the band crossing of N-p. But I didn't do those calculation. It is just guess.

Good luck.

Xiliang Nie

----- Original Message -----
From: Yushan Wang <wys at udel.edu>
Date: Saturday, November 8, 2003 1:29 pm
Subject: Re: [Wien] about the nitrogen 2p states

> 
> Dear Sir,
> 
> everyone has his or her points, keep it in your own heart if you 
> do not
> hope
> this mail list become messy.
> 
> yushan
> 
> 
> On Fri, 7 Nov 2003, Lukasz Plucinski wrote:
> 
> > Dear WIEN2k Users,
> >
> > I think this discussion is not very nice.
> >
> > The truth is that the WIEN mailing list is something really 
> magnificent.> Almost every question is answered by experts.
> >
> > The bad thing is that many people do not treat these experts 
> seriously -
> > they ask trivial questions and/or do not explain their problem 
> in detail,
> > expecting that expert will complete the puzzle anyway.
> >
> > I think that if somebody is preparing a scientific paper using 
> WIEN she/he
> > should be able to do it her/himself. At the end none of the 
> experts from
> > this mailing list are on the authors list !
> >
> > I guess that even if the asked question is not answered there is 
> no reason
> > to be angry. Its rather something special if the question is 
> answered and
> > it must be appreciated that expert sacrifices his time to answer.
> >
> > Thus in general I agree with the Stefaan's point of view 
> although the
> > whole discussion was really not nice... maybe such things not 
> related to
> > physics should be filtered in future.
> >
> > Regards,
> >
> > Lukasz
> >
> > > > it certainly is not the purpose of this list to solve physics
> > > > questions that are not related to wien2k or DFT: our 
> mailboxes are
> > > > already more than full enough!
> > > >
> > > > Stefaan
> > >
> > > I wll not reply even though you have a severe answer.
> > > because this is not related to wien2k. but my  previous question
> > > was although you did not understand it.
> > >
> > > yushan wang
> > > >
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