[Wien] Bandstructure of LSDA+U+SO

[Hongming Weng]

Dear WIEN2k users and developers,
         Would you please tell me how to calculate the bandstructure in the 
case LSDA+U+SO?
In the case of LSDA+SO, I do it in the following sequence:
           x lapw1 -band -c -up -p
           x lapw1 -band -c -dn -p
           x lapwso -up -c -p -band
           x spaghetti -so -p
I got the correct result.
In the case of LSDA+U+SO, I do like this(After convergency of runsp_lapw 
-orb -so -p):
           x lapw1 -band -c -up -p
           x lapw1 -band -c -dn -p
           x lapwso -up -c -orb -p -band
           x spaghetti -so -p
But it seems that the bandstructure reflects no U effect though the total 
DOS shows gap around
Fermi level.

         Thank you!
Yours,
Whoming

At 17:50 2005-5-28, you wrote:
>Dear Mr Rashid Ahmed,
>I received your mail explaining your interest to get familiar with Wien 
>code. We, computational consensed matter group at Physics department of 
>Isfahan University of Technology may be able to help you in this regard. 
>Let me first explain our current situation:
>I am leading a group consisting of several MsC and PhD students all 
>working with WIEN code. Since 2003 we are acting as ICTP Affiliated Center 
>in the region. Based on this mission we can support several visitors each 
>year to spend 2-3 months in our group. If you are interersted to apply for 
>the remaining part of this year, please send me your CV in addition to a 
>one page proposal explaining the project that you wish to perform during 
>your stay here and also the name and email address of a couple of 
>scientist who are familiar with your work.
>                                Yours,
>                                Hadi Akbarzadeh, PhD
>----- Original Message -----
>From: <mailto:rasofi at hotmail.com>Rashid ahmed
>To: <mailto:wien at zeus.theochem.tuwien.ac.at>wien at zeus.theochem.tuwien.ac.at
>Sent: Friday, May 14, 2004 4:36 PM
>Subject: [Wien] Hello All
>
>My dear Wien2k user
>
>
>hello all
>
>I am disturbing you  in your very busy schedule but I hope you will not 
>mind it and will give me a favorable response to provide a chance for hand 
>on training on Wien2k.
>
>I did my M.Phil. in Solid State Physics.In M.Phil, my research work was 
>entitled "computation Study of Non Linear Equations in disorded 
>structures". In these days, I am serving as a lecturer and also have 
>started my Ph.D. work entitled "electronic bands structure study of 
>tetrahedral semiconductors by computational techniques". I am very keen to 
>use wien2k for my problem but in Pakistan, no body is using WIEN2K. That 
>is why; it is really hard to start my work.
>
>Dear Sir, for PhD purpose and broad my vision in research, I want to join 
>you to get hand on experience in WIEN2K.If I get a chance to do work with 
>you, this will be very much beneficial for my PhD and vision broadening in 
>research.
>
>I have knocked many doors but there is no positive response up to now from 
>any side. Please consider my case on priority basis because I am very much 
>serious to understand this software (wien2k) and apply to my own problem 
>and to develop a group in Pakistan in future. Please provide me chance to 
>work with you with bench facility. I will bear my own expenses during my 
>stay with you.
>
>
>Awaiting for your favorable response.
>
>With best regards
>
>yours truly,
>RASHID AHMED
>Lecturer & Ph.D Scholar
>CHEP, Punjab University
>Lahore-Pakistan.
>
>
>----------
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