[CP2K:3376] Re: Help finding tutorials

Teodoro Laino teodor... at gmail.com
Tue Jul 19 22:21:57 CEST 2011


On Jul 19, 2011, at 9:21 PM, stephen.jensen wrote:

> Hi Madeleine (and others),
> Thanks for the message.  The pdfs are really great to read, but
> unfortunately the tutorial files seem to be locked away here:
> http://groups.google.com/group/cp2k_tutorial

this group does not contain any file related to tutorials. It was a group built for coordinating people attending the first cp2k tutorial.

> And since it is in archive mode, new users cannot see those files.
> Does anyone have access to the tutorial files from either of the CP2K
> tutorials?
cp2k files of the second tutorial are not officially on the web. The major reason is that they are raw files (just inputs and outputs), almost 2.5 GB in size,
with no explanation/documentation and therefore not suitable as self-lerning material (unless you do know already a bit of cp2k).

I would suggest to stay tuned and apply to the third cp2k tutorial, or alternatively just try with something that is of any interest for you and post your question
to this group.

> 
> Also, I was finally able to successfully compile CP2K without getting
> any errors in the regtests. (they all report as 'new')  Could someone
> who is using CP2K for research and trusts their build please upload
> their results from the regtest so I can compare it against what I have
> to make sure I am getting correct energies?

have you read this: http://cp2k.berlios.de/regtest.html ?
There is a reference to this link:

ftp://ftp.berlios.de/pub/cp2k/LAST.tar.gz

Regards,
Teo

> 
> Thanks again,
> Stephen
> 
> On Jul 11, 2:32 pm, jadefox337 <jadef... at gmail.com> wrote:
>> Hi Stephen,
>> 
>> I have stumbled upon a bunch of useful tutorials of cp2k at:
>> 
>> http://www.cecam.org/workshop-273.html
>> 
>> It is a bit hard to come by documentation for this package, which is
>> unfortunate, but this group is quite helpful in many cases.  I am sure
>> you will get help with input file samples from the group.
>> 
>> Best,
>> 
>> madeleine
>> On Jul 6, 6:45 pm, "stephen.jensen" <stephen... at gmail.com> wrote:
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>>> Hi Everyone,
>>> I am new to CP2K but a seasoned VASP user and I am looking at
>>> switching.  I want to go through some tutorials so I can double check
>>> my compilation and familiarize myself with the formatting.  I read
>>> that the exercises files for the first tutorial won't be posted
>>> because the 2nd tutorial was going to be instead.  I can't seem to
>>> find where I can download them though and the hands on pdfs seem to be
>>> missing.
>> 
>>> I see that I can download a group of files from the google groups but
>>> I don't see any documentation for it.  I'd like to eventually use
>>> plane wave DFT for molecules on surfaces.   (I use PAW
>>> pseudopotentials, GGA functionals, NEB, and dispersion correction
>>> would be nice too.)
>> 
>>> Thank you so much for your help!
>>> Stephen
> 
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