[Wien] required help in constructing supercell

mohaddeseh abbasnejad m.abbasnejad at gmail.com
Wed Jan 18 07:03:16 CET 2012


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
-- 
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Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
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E-Mail:     m.abbasnejad at gmail.com
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2012/1/18 arqum hashmi <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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