[Wien] initialize calculation for x nn: command not found

Fri Feb 20 08:40:05 CET 2009

hi every body,

I still get the "x nn" command not found. What could be the problem?. Did I dont install the wein2K properly or is there

any path that I missed or I did not include. Do I need to reinstall the wein2K once miore?

Please help.. i thank you

**sofia**

> Date: Thu, 19 Feb 2009 12:21:07 +0100
> From: yurko.natanzon at gmail.com
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] initialize calculation for x nn: command not found
> 
> Dear nina sofia,
> you do not have to delete anything, but you have to check where
> exactly is wien2k installed, and properly setup WIENROOT and SCRATCH
> variables as described in section 11.4 of the User Guide. I recommend
> that your WIENROOT environment variable be included in the PATH.
> 
> After that kill w2web and start it again.
> 
> regards,
> Yurko
> 
> 2009/2/19 nina sofia <nina_fia at hotmail.com>:
> > there are two folder has been created in my root folders which is Wien2k and
> > Wein2K. What's mean by misstype and how can be /root/Wein2K/nn: command not
> > found?
> >
> > how to fix this problem ?
> > isn't i have to delete Wein2K folder ?
> >
> >> Date: Thu, 19 Feb 2009 10:05:55 +0100
> >> From: pblaha at theochem.tuwien.ac.at
> >> To: wien at zeus.theochem.tuwien.ac.at
> >> Subject: Re: [Wien] initialize calculation for x nn: command not found
> >>
> >> It seems you made a misstype ??
> >>
> >> > /root/Wein2K/nn: command not found
> >>
> >> There is a difference between Wein2k and Wien2k !
> >>
> >> > 0.00u 0.00s 0:00.00 0.0% 0+0k 0+0io 0pf+0w.
> >> >
> >> > That's the result i get from initialize calculation for x nn . even
> >> > though i continue calculate with initial_lapw. an error will also come
> >> > which is command not be found in /root/Wien2K/sgroup. i already check my
> >> > file in /root/TiC and there have a mistoutput file. the output states :
> >> >
> >> > init:0.0000000 /1
> >> > after regexp:0.0000000 /1
> >> > before eval: = 1.0 * 0.0000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.0000000 /1
> >> > after regexp:0.0000000 /1
> >> > before eval: = 1.0 * 0.0000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.0000000/1
> >> > after regexp:0.0000000/1
> >> > before eval: = 1.0 * 0.0000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:/2
> >> > after regexp:/2
> >> > before eval: = 1.0 * * 1.0
> >> > result:00
> >> > result_afterwards:0
> >> > init:/2
> >> > after regexp:/2
> >> > before eval: = 1.0 * * 1.0
> >> > result:00
> >> > result_afterwards:0
> >> > init:/2
> >> > after regexp:/2
> >> > before eval: = 1.0 * * 1.0
> >> > result:00
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000/1
> >> > after regexp:0.00000000/1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000/2
> >> > after regexp:0.50000000/2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000/1
> >> > after regexp:0.00000000/1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000/2
> >> > after regexp:0.50000000/2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000/1
> >> > after regexp:0.00000000/1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000/2
> >> > after regexp:0.50000000/2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000/1
> >> > after regexp:0.00000000/1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000/2
> >> > after regexp:0.50000000/2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000 /1
> >> > after regexp:0.00000000 /1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.00000000/1
> >> > after regexp:0.00000000/1
> >> > before eval: = 1.0 * 0.00000000 * 1.0
> >> > result:0
> >> > result_afterwards:0
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000 /2
> >> > after regexp:0.50000000 /2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> > init:0.50000000/2
> >> > after regexp:0.50000000/2
> >> > before eval: = 1.0 * 0.50000000 * 1.0
> >> > result:0.5
> >> > result_afterwards:0.5
> >> >
> >> > How to solve this problem again?
> >> >
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> >> >
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> >> >
> >> > _______________________________________________
> >> > Wien mailing list
> >> > Wien at zeus.theochem.tuwien.ac.at
> >> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >> --
> >>
> >> P.Blaha
> >> --------------------------------------------------------------------------
> >> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> >> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
> >> Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
> >> --------------------------------------------------------------------------
> >> _______________________________________________
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> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
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> >
> >
> 
> 
> 
> -- 
> Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
> PhD student
> Department for Structural Research (NZ31)
> Henryk Niewodniczański Institute of Nuclear Physics
> Polish Academy of Sciences
> ul. Radzikowskiego 152,
> 31-342 Krakow, Poland
> E-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com
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> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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