[Wien] Wien Digest, Vol 55, Issue 6

[Osama Yassin]

Dear Dr Alaa

I use openSuse 11.1 on Dell 780 and it is working very well. The best way is
to compile your code in your machine. You can upload the errors you got and
the community may help you. ifort 11.1 do compile the code very well, but
you may missing to install some prerequisites for the compiler.

O A Yassin

2010/6/21 علاء عبد الحميد <aladin331 at gmail.com>

> Dear users
> I'm studying the defects in PbTe and I tried to use the supercell of
> 2x2x2. The supercell structure was formed but the SCF was stopped
> after LAPW1 and give me error and referred to lapw1.def.
> the following is the LAPW1.def file
>
>  4,'SrTiO3-LDA.klist_band',          'unknown','formatted',0
>  5,'SrTiO3-LDA.in1',   'old',    'formatted',0
>  6,'SrTiO3-LDA.output1','unknown','formatted',0
> 10,'./SrTiO3-LDA.vector', 'unknown','unformatted',9000
> 11,'SrTiO3-LDA.energy', 'unknown','formatted',0
> 18,'SrTiO3-LDA.vsp',       'old',    'formatted',0
> 19,'SrTiO3-LDA.vns',       'unknown','formatted',0
> 20,'SrTiO3-LDA.struct',         'old',    'formatted',0
> 21,'SrTiO3-LDA.scf1',   'unknown','formatted',0
> 55,'SrTiO3-LDA.vec',            'unknown','formatted',0
> 71,'SrTiO3-LDA.nsh',    'unknown','formatted',0
>  7,'SrTiO3-LDA.vorb'     ,'unknown','formatted',0
> 200,'./SrTiO3-LDA.storeHinv', 'replace','unformatted',9000
>
> I also tried to use the supercell structure of very simple structure
> Gd and the same problem occur.
> please let me now if I have forgotten to do something
>
> - my system is Dell optiplex GX 520
> - I use the redhat enterprise 5.4
> - I copied and pasted the executable files of WIEN2k09 because I
> couldn’t get a good
> compilation with ifort11.1.
> - the memory of the system is 3GB
>
> Sincerely
> Alaa S Hamid
> Qassim university
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>



-- 
Prof Dr Osama Ali Yassin
Professor of Solid State Physics and ICTP regular associate
Department of Physics, Faculty of Science
Taibah University
Almadeenah Almonawarh
K. of Saudi Arabia
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