[Wien] required help in constructing supercell

[arqum hashmi]

Thanks Sir Blaha,
i am very thankful to you.
yes it works now after recompiling
 
Sir i also asked one question 

From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Wednesday, January 18, 2012 6:00 AM
Subject: Re: [Wien] required help in constructing supercell

cd $WIENROOT
cd SRC_supercell

check the file  compile.msg

eventually just recompile:

make
cp supercell ..


Am 18.01.2012 08:09, schrieb arqum hashmi:
> Thanks Sir Mohaddeseh,
> i am very thankful to you for giving me suggestion.
> but it is not working also with changing name from TiC.struct to super.struct. it also give the error this
> Command not found.
> 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> error: command /home/hashumi/WIEN2k/supercell supercell.def failed
> please tell me why this problem occured and how i can solve it.
> Thanks and regards
> Arqum Hashmi
>
>
> -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
> *From:* mohaddeseh abbasnejad <m.abbasnejad at gmail.com>
> *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Sent:* Tuesday, January 17, 2012 10:03 PM
> *Subject:* Re: [Wien] required help in constructing supercell TiC.struct to super.struct
>
> Dear Arqum hashmi,
>
> This is not a serious problem.
> You only need to change the name of "TiC" to the name of the directory you are working in.
> In your case, it should be changed to super.struct (instead of TiC.struct).
>
> Yours,
> Mohaddeseh
> --
> ---------------------------------------------------------
>
> Mohaddeseh Abbasnejad,
> Room No. 323, Department of Physics,
> University of Tehran, North Karegar Ave.,
> Tehran, P.O. Box: 14395-547- IRAN
> Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781
> Cellphone: +98 917 731 7514
> E-Mail: m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com>
> Website: http://physics.ut.ac.ir
>
> ---------------------------------------------------------
>
>
> 2012/1/18 arqum hashmi <arqumhashmi at yahoo.com <mailto:arqumhashmi at yahoo.com>>
>
>    Dear Users
>    i have problem in constructing supercell.
>    as given in userguide i Create a new directory, copy the original TiC.struct file into it and when i run supercell it gives this error.
>    hashumi at spin4:~/WIEN2k/TiC/super> x supercell
>    cut: super.struct: No such file or directory
>    /home/hashumi/WIEN2k/supercell: Command not found.
>    0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>    error: command /home/hashumi/WIEN2k/supercell supercell.def failed
>
>
>    Please can anyone tell me about his problem and how can i solve it. i will be very thankful to you.
>
>    Thanks and regards
>    Arqum hashmi
>
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-- 

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300            FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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please tell me can i calculate supercell, thin film structures and  magnetic anisotropy using w2web interface? and how i calculate it using GU interface.
because i canot find any options about these things on wien2k GU interface.


i will be very very  thankful to you.
thanks and regards
arqum hashmi
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