[Wien] nn.def file

hüsnü kara husnukara34 at gmail.com
Thu Aug 21 19:25:09 CEST 2014


Thank you very much,

Best regards,

Hüsnü
21 Ağu 2014 20:23 tarihinde "Kevin Jorissen" <kevinjorissenpdx at gmail.com>
yazdı:

> Each WIEN program has a list of the files that it will open for reading or
> writing. This list is in the 'definition' file or 'def' file. The nn.def
> file tells you which files will be used by the nn program. Everything is
> okay.
>
> The files marked as 'old' are required to exist already. Typically these
> are input files. The files marked as unknown are either output files or
> optional input files: it means they don't necessarily have to exist before
> the program starts.
>
> It's just WIEN2k's way of managing I/o.  As long as the nn.error is empty
> after nn runs, all is good.
>
> Cheers
>
>
> Kevin Jorissen
>
>
> On Aug 21, 2014, at 10:12 AM, hüsnü kara <husnukara34 at gmail.com> wrote:
>
> Dear Wien Users,
>
> After I regulate StructGen, I looked at inside of nn.def file:
>
>
>
>
>
> *66,'setrmt.outputnn','unknown','formatted',067,'setrmt.nnshells','unknown','formatted',0
> 88,'setrmt.bva','unknown','formatted',020,'setrmt.struct',  'old',
> 'formatted',021,'setrmt.struct_nn','unknown','formatted',0*
>
> Please, could you tell me about my meaning of these. Are there any
> problems?
>
> Best regards,
>
> Hüsnü Kara
>
>
>  _______________________________________________
> Wien mailing list
> Wien at 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
>
>
> _______________________________________________
> Wien mailing list
> Wien at 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
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140821/76fb6e51/attachment.htm>


More information about the Wien mailing list