Re: [Wien] case.outputeos

[Muhammad Sajjad]

but here is the error

$ x eosfit

  ERROR IN OPENING UNIT:  55

FILENAME:

 opt.vol


STATUS: old  FORM:formatted

OPEN FAILED

0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w

On Sat, Feb 6, 2016 at 1:57 PM, Stefaan Cottenier <
stefaan.cotten...@ugent.be> wrote:

> on the command line:
>
> x eosfit
>
>
> Muhammad Sajjad  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
>>
>> --
>>
>> Wien mailing list
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>> SEARCH the MAILING-LIST at:  
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>>
> --
> Sent from a tiny keyboard. Please excuse my brevity.
>
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>


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Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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Re: [Wien] case.outputeos

[Peter Blaha]

eplot -h   and read the info on the screen.

eplot -a " "creates the necessary files from all your scf files.

Am 06.02.2016 um 11:37 schrieb Muhammad Sajjad:

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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Re: [Wien] case.outputeos

[Stefaan Cottenier]

on the command line:

x eosfit


Muhammad Sajjad  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
>
>
>
>
>___
>Wien mailing list
>Wien@zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>SEARCH the MAILING-LIST at: 
>http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

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[Wien] case.outputeos

[Muhammad Sajjad]

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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Re: [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
> wrote:

on the command line:

x eosfit


Muhammad Sajjad >
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



Wien mailing list
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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


--
Sent from a tiny keyboard. Please excuse my brevity.

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--
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.


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