[Wien] required help in constructing supercell

arqum hashmi arqumhashmi at yahoo.com
Wed Jan 18 08:09:38 CET 2012


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
Website:  http://physics.ut.ac.ir

---------------------------------------------------------




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
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>




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