[Wien] mbj error

[mourad boujnah]

Dear Gavin and Tomas,

this is the error in lapw1.error
Error in LAPW1
 'INILPW' - can't open unit:  18

 'INILPW' -        filename: ZrO2-Fe.vsp

 'INILPW' -          status: old          form: formatted

 'LAPW1' - INILPW aborted unsuccessfully.

and this calculation with spin polarized


2013/8/1 Tomas Kana <kana at seznam.cz>

> Dear Mourad Boujnah,
>
> Just a guess: Do you perform a non-magnetic or a spin polarized
> calculation?
>
> (in your directory you have Ferro-dos)
>
> If you initialized your structure as spin-polarized, you should use
> runsp_lapw instead of run_lapw
>
> If this is really the cause of your problem, I would erase everything
> except struct file
>
> and initialize again and then run runsp_lapw
>
> Tomas
>
>
> ---------- Původní zpráva ----------
> Od: mourad boujnah <boujnah.mourad at gmail.com>
> Datum: 1. 8. 2013
> Předmět: [Wien] mbj error
>
> Dear Wien2k Users,
>
> I am using Wien2k 13 version and i am performing mBj calculations.
> In the firt step when I give the command
> run_lapw -i 1 -NI
> The following error appeared.
> oujnah at boujnah:~/WIEN2k/Boujnah/TM-ZrO2/Ferro-dos/ZrO2-Fe$ run_lapw -i 1
> -NI
> hup: Command not found.
>  LAPW0 END
> LAPW1 - Error
>
> >   stop error
> Please can you help me to overcome this problem .?
>
> Cordialy
>
> --
> Mourad BOUJNAH
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Tel: *+212 **677316706*
> Email: *boujnah.mourad at gmail.com
> **"Research is to see what everybody else has seen, and to think what
> nobody else has thought"*
>
>
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>


-- 
Mourad BOUJNAH
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Tel: *+212 **677316706*
Email: *boujnah.mourad at gmail.com
**"Research is to see what everybody else has seen, and to think what
nobody else has thought"*
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