The ABINIT Users Mailing List ( CLOSED )

[Josef Zwanziger <jzwanzig@gmail.com>]

The "extra" bytes are due to the Fortran write statements. The format
of the file is just what the documentation says, but it's easier to
understand in terms of the Fortran read/write statements than byte
counts. If you want something more device-independent, you can use the
netcdf option. All the output variables (usepaw etc) are fully
documented in the "input variables" documentation pages.

On 5/31/09, Rob <spamrefuse@yahoo.com> wrote:
>
> Hi,
>
> I'm trying to read the binary data in the charge density file,
> according to the documenation:
>
> http://www.abinit.org/documentation/helpfiles/for-v5.8/users/abinis_help.html#header
>
> I'm using abinit 5.7.3 and I think the documentation here is out-of-date.
>
> I get the code version string (codvsn) of 6 chars: "'5.7.3 ";
> then I assume what follows are integers of 4 bytes each.
>
> I get the values for 'date', 'natom', 'nkpt' correct, ONLY BY SKIPPING 8
> bytes after reading
> the code version. Therefore, I assume in the 5.7.3 header there are 2 more
> un-documented
> integers.... Is that so?
>
> Also, what is the meaning of the variables here?
> For example what do headform, fform, bantot, pertcase, usepaw... stand for?
>
> Thank you,
> Rob.
>
>
>
>


-- 
Josef W. Zwanziger
Professor of Chemistry
Canada Research Chair in NMR Studies of Materials
Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
Dalhousie University
Halifax, NS B3H 4J3 Canada
tel: +1 (902) 494-1960
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca