[Wien] read error when using irrep
akara
akara at ksu.edu
Tue Aug 26 15:36:48 CEST 2003
Thank you Florent for your reply,
Your answer was about the vector file not being properly
linked to.
But the second part of my question was:
When I run irrep, I get the following error message:
Input/Output Error 153: Input file ended
In Procedure: kptin
At Line: 26
Statement: Unformatted READ
Unit: 10
Connected To: 30cu211.vector
Form: Unformatted
Access: Sequential
Records Read : 3414
Records Written: 0
End of diagnostics
Thank you very much for your help
>===== Original Message From Florent Boucher <Florent.Boucher at cnrs-imn.fr>
=====
>Just a remark concerning irrep. There is a small error in the x script.
>The $scratch is missing for the vector file.
>
>You have to had it in this way.
>case irrep:
>set exe = irrep$para
>set dopara = 1
>cat << theend > $def
>5, '$file.irrep$so$updn', 'unknown','formatted',0
>6, '$file.outputir$so$updn', 'unknown','formatted',0
>9, '${scratch}$file.vector$so$dnup', 'unknown', 'unformatted',9000
>10,'${scratch}$file.vector$so$updn', 'old', 'unformatted',9000
>20,'$file.struct', 'old', 'formatted',0
>theend
>breaksw
>
>Regards
>Florent
>
>--
> --------------------------------------------------------------------------
>| Florent BOUCHER | |
>| Institut des Matériaux Jean Rouxel | Mailto:Florent.Boucher at cnrs-imn.fr |
>| 2, rue de la Houssinière | Phone: (33) 2 40 37 39 24 |
>| BP 32229 | Fax: (33) 2 40 37 39 95 |
>| 44322 NANTES CEDEX 3 (FRANCE) | http://www.cnrs-imn.fr |
> --------------------------------------------------------------------------
>
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
More information about the Wien
mailing list