[gpaw-users] GPAW tutorial
Janne Blomqvist
Janne.Blomqvist at tkk.fi
Tue Apr 13 12:48:19 CEST 2010
Jens Jørgen Mortensen wrote:
> On Tue, 2010-04-13 at 12:19 +0200, Robert Pennington wrote:
>> On 13-Apr-10, at 12:01, gpaw-users-request at listserv.fysik.dtu.dk wrote:
>>> https://wiki.fysik.dtu.dk/gpaw/tutorials/lattice_constants/lattice_constants.html
>>> does not work with the latest GPAW release? It would be nice to have an
>>> updated version of the Tutorial section on the GPAW website.
>>>
>> The syntax has changed - instead of --kpts=8,8,8 --h=0.18 --fit, try using -k 8,8,8 -g 0.18 -O. I'm not sure if that'll do everything, but it should help somewhat. The help for that command is "gpaw -h".
>
> Actually, "-k 8,8,8 -g 0.18 -O" works for GPAW version 0.6, but the
> tutorial uses the new syntax from the latest development version of
> GPAW. Yes, it's a bit of a mess!
Would it be possible to generate, say,
https://wiki.fysik.dtu.dk/gpaw-VERSION/
trees, so that people using the stable versions can easily refer to the
documentation of whatever version they're using?
PS: And same for ASE as well, though ASE seems to be quite mature at
this stage and thus doesn't have so many incompatible changes.
--
Janne Blomqvist
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