[CP2K:7646] Re: Good references for learning CP2K program
sudip... at gmail.com
Mon Apr 11 15:14:50 CEST 2016
Thank you very much for your valuable suggestions. I think those are useful
for the beginners. If you have any other suggestions regarding some useful
references of CP2k program, please share it.
On Mon, Apr 4, 2016 at 3:02 AM, <huan... at mail.huji.ac.il> wrote:
> Hi Sudipta,
> I think you may first read this paper *Comput Phys Commun* 2005, 167 (2),
> 103-128. doi:10.1016/j.cpc.2004.12.014
> <http://dx.doi.org/10.1016/j.cpc.2004.12.014> and the references therein.
> Luckily, you are starting to learn CP2K now. The website of CP2K,
> https://www.cp2k.org/ , provides lots of information to learn it,
> including HOWTOs, Exercises, FAQs and Tools, which locate on the left hand
> side of the web page. We all should thank people who contributed to the
> CP2K website. If you start to learn CP2K in 2013 or 2014, this website was
> The CP2K manual, however, is not very suitable for beginner because it is
> really lack of instruction, only list short description of the keywords and
> the default values.
> I recommend to read the "Basic tutorial to CP2K calculations" provided by
> Dr. Sébastien Le Roux, please see
> Other tutorials could be found in the "Events" on the left hand side of
> the CP2K website, or directly click here, https://www.cp2k.org/events
> Best regards,
> On Saturday, April 2, 2016 at 6:07:14 PM UTC+3, sudipta sinha wrote:
>> Hello all,
>> I have recently started to learn CP2K program. I think the program is
>> very unique and have many interesting features. I want to use this program
>> primarily for ab-initio simulation. In order to learn this program, can you
>> please provide some important references, which describe the flow of the
>> program and basic mathematical understanding of the package. Another thing,
>> can you also provide the information of a very basic and preliminary
>> tutorial, so that I can understand each of the keywords of the manual and
>> the underlying physics of that tutorial. One thing I wish to mention about
>> me that I have very good background in classical MD, MC and polarizable
>> classical MD, Free energy simulation methods.
>> I look forward to hear from you soon.
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