[Wien] LDA+U failure

[Saeid Jalali]

Hi MS Madani,

I hope that the following paper could be helpful for you:

Rev. Mod. Phys. 87, 865 (2006):Kotliar, Savrasov, et. al

 

I see you send this e-mail twice. Your inquiry is indeed so general and
non-informative that could be answered. When you post a question and like to
receive answer(s) and/or suggestions, you would be more specific and follow
some points. Some of such points  has been already mentioned in the
mailinglist address of http://www.wien2k.at/reg_user/mailing_list/ which are
pasted below for you to more emphasize on them:

 

 

.  If you don't get an answer, it is most likely because your question is: 

*	trivial (could be found easily by searching the UG, the FAQs or the
digest) 
*	did not follow the "Nettiquette" defined below. A message like:
"LAPW2 stops in FERMI - Please help me" will most likely not be answered.
You need to supply more info (what did you do so far?, what was the specific
task?, what is in the error and output files,... maybe we need the
struct-file, the scf-file or an input-file,.... as an attachment) 
*	nobody knows an answer 

.  If you know an answer please reply! We cannot answer all questions
ourself. 

.  If you don't know an answer, please read carefully any reply to this
question, so that you become an "expert" yourself after some time. 

.  We hope that from discussing problems in public the whole WIEN user
community will benefit.

 

Please follow the following "Nettiquette" (depending on your question, at
least some of these points should be included in your mail): 

*	I am running wien version xxx on a machine of type yyy with
operating system zzz, fortran compiler aaa and math libraries bbb. 
*	The purpose of my calculations is to get quantity ccc. 
*	I am running this case (case.struct) using this input (here,
case.in1 may be relevant? Certainly give things like XC potential, rkmax,
size of k-mesh) and these commands (eg. : run_lapw -p -so from command line,
or w2web). 
*	The program stops at this point, or produces suspicious output here
... This is the content of the error file / the case.dayfile / STDOUT. This
is the bottom of the output file (like the part of case.output1 you show
below). 
*	I have already tried the following things (bla bla bla) and they did
or did not work, did or did not make any difference. 

You should also obey the following points: 

*	Yes, I have SEARCHED the archives AND READ THE USERS GUIDE and the
FAQ pages, but I couldn't solve my problem that way. 
*	If suggestions from the mailing list actually solved your problem
(or you solved it some other way), would you please share that with us? 

 

 

Sincerely yours,
S. Jalali
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.  :+98-0311-793 2435
Office              :+98-0311-793 4176
Fax No.           :+98-0311-793 2409
E-mail              :sjalali at phys.ui.ac.ir
Homepage        : <http://sci.ui.ac.ir/~sjalali>
http://sci.ui.ac.ir/~sjalali
www                : <http://www.ui.ac.ir> http://www.ui.ac.ir
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From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Noushin Madani
Sent: Thursday, May 21, 2009 8:24 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] LDA+U failure

 


 

 


 

Dear all, Hi ;

May I ask about failures  and  disadvantages  of "LDA+U" ?May  you introduce
some references in this regard? 

 

yours;

N. Madani

 

 

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