Please, vote to make ABINIT free-to-use

Total energy, geometry optimization, DFT+U, spin....

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maxim
Posts: 78
Joined: Wed May 19, 2010 1:17 pm
Location: Institute of Silicate Chemistry of Russian Academy of Sciences, Saint-Petersburg, Russia

Please, vote to make ABINIT free-to-use

Post by maxim » Thu Mar 07, 2013 8:39 am

Dear users and developers, please register here https://nanohub.org/
and vote at https://nanohub.org/wishlist/resource/2 ... onus&tags=
to enable LDA + U support of ABINIT in nanohub - your vote will help to make ABINIT free and popular!!! :)


Best wishes, Maxim
M.Yu. Arsent'ev
Institute of Silicate Chemistry of RAS
tikhonov_p-a@mail.ru

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: Please, vote to make ABINIT free-to-use

Post by jzwanzig » Thu Mar 07, 2013 11:54 am

Abinit already is completely free to use in all respects.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

maxim
Posts: 78
Joined: Wed May 19, 2010 1:17 pm
Location: Institute of Silicate Chemistry of Russian Academy of Sciences, Saint-Petersburg, Russia

Re: Please, vote to make ABINIT free-to-use

Post by maxim » Thu Mar 07, 2013 12:20 pm

:lol:
yes, you right, I mean I want nanohub's implementation of abinit become clearer
There is no ability to upload own pseudos in nanohub - just TM. Because I can not upload PAW pseudos, I can not use LDA + U of ABINIT - without LDA + U some calculations are totally incorrect.
Maybe I should change the name of the topic to be understood correctly
M.Yu. Arsent'ev
Institute of Silicate Chemistry of RAS
tikhonov_p-a@mail.ru

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: Please, vote to make ABINIT free-to-use

Post by jzwanzig » Sat Mar 09, 2013 1:31 pm

Perhaps you should address this request to Nanohub, this forum is for discussion of abinit code.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

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