[Wien] case.outputeos

[Stefaan Cottenier]

> but here is the error
>
> $ x eosfit
>    ERROR IN OPENING UNIT:          55
>          FILENAME:
>   opt.vol
>      STATUS: old          FORM:formatted
> OPEN FAILED

Indeed -- you need to prepare a file 'opt.vol' which has in a two-column 
format the values for :VOL and :ENE from the scf files of your preceding 
optimize.job .

Stefaan


> On Sat, Feb 6, 2016 at 1:57 PM, Stefaan Cottenier
> <stefaan.cottenier at ugent.be <mailto:stefaan.cottenier at ugent.be>> wrote:
>
>     on the command line:
>
>     x eosfit
>
>
>     Muhammad Sajjad <sajjadpu at gmail.com <mailto:sajjadpu at gmail.com>>
>     schreef op 6 februari 2016 11:37:14 CET:
>
>         Dear All
>         very basic question. after running  optimize.job I did not find
>         case.outputeos file. Do I need some more command to generate it?
>         Actually in w2web no issue but have no idea for remote system.
>
>         Kind Regards
>         M. Sajjad
>
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>
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> Muhammad Sajjad
> Post Doctoral Fellow
> KAUST, KSA.
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-- 
Stefaan Cottenier
Center for Molecular Modeling (CMM) &
Department of Materials Science and Engineering (DMSE)
Ghent University
Technologiepark 903
BE-9052 Zwijnaarde
Belgium

http://molmod.ugent.be
http://www.ugent.be/ea/dmse/en
email: stefaan.cottenier at ugent.be

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