Dear Lucas and Herbert We appreciate Herbert's defence of the rights and proper credit of Siesta, especially considering that he is not benefitting from it, he is doing it for the sake of fairness alone. From the e-mails that have been exchanged it seems he may have contributed to a possible rephrasing of attributions.
But I should also state that Lucas is right. Nanohub contacted us at the beginning of their project and we agreed in their serving Siesta calculations through Nanohub for the educational purposes stated to us at that time. We trust that the users of Siesta through Nanohub will credit the efforts of both the Siesta and Nanohub teams as specified by both teams. Let me also state our appreciation for the calm, helpful, positive and productive use of the list. Best Emilio On 17 Jul 2013, at 04:42, Lucas Wagner wrote: > I just want to clarify some things. > > NanoHUB is a large project funded by a long-term grant from the US NSF. Its > goal is to help bring computational resources useful for nanotechnology to > researchers and students both in industry and academia. It's a serious > project and it carefully considers what's published on the site. > > The tool was developed with the full knowledge and consent of the SIESTA > developers, which was necessary to even get it on the NanoHUB site. It was > the product of several month's work by several people. If this interface is > useful to someone, they can thank the developers for putting in that effort > by citing it in addition to citing the SIESTA code. On reviewing the page, > some of the attribution could be improved, and we will likely do that in the > near future. This also helps track whether or not the service is useful. As > authors, we stand very little to gain from citations of this interface in any > material sense. > > Best, > > Lucas > > > > On Tue, Jul 16, 2013 at 9:50 AM, Herbert Fruchtl > <herbert.fruc...@st-andrews.ac.uk> wrote: > Dear Lucas, > > I am not a SIESTA developer and have no connection with the program, other > than using it and participating on this mailing list. I am not speaking for > anybody except myself, and I have no advantage from people citing the program > properly. > > Besides my research, I run a computing facility. I compile, and make > available, programs on a weekly basis. I am not expecting to be cited in > research that uses such software. The part of your website I object to is > very clear: > > Powered by > SIESTA: http://www.icmab.es/siesta/ > Cite this work > Researchers should cite this work as follows: > Lucas Wagner; Jeffrey C Grossman; Joe Ringgenberg; daniel richards; Alexander > S McLeod; Eric Isaacs; Jeffrey B. Neaton (2011), "SIESTA," > https://nanohub.org/resources/siesta. (DOI: 10.4231/D3N87300P). > > BibTex | EndNote > > I was very cautious in my first message. But since you appear to be hearing > "baseless accusations" between the lines, here are a few more: Academic > misconduct. Copyright infringement (I didn't know you could make it publicly > available. I assume you signed a licence). Happy now? > > Herbert > > On 16/07/13 15:31, Lucas Wagner wrote: > Dear Herbert and the rest of the list, > > We developed the NanoHUB tool mostly for educational purposes, since the > resources you can get there are not significantly more powerful than a decent > desktop. This was done mostly in support of a class on NanoHUB. We've made > it > available in the hopes that it will be useful to other researchers and > students. In academia, as I assume you know, it's standard to cite other > people > when you use their work. If you use the NanoHUB SIESTA tool to perform your > work, you should cite both the tool and SIESTA itself. > > We very much appreciate the work that the SIESTA team has put into the > program; > my students and I use SIESTA every day, and we also develop a quantum Monte > Carlo code (http://qwalk.org) so we recognize how much it takes to put out a > code like SIESTA. For that reason and others, we've prominently featured > SIESTA > in the information about the tool and given links back to the website. If the > SIESTA developers prefer something else, we can adjust this to make sure they > get proper credit. > > If you know of some specific legal or ethical problem with our tool, please > contact us and we will do our best to fix it. Otherwise, please don't make > baseless accusations directed at people who are trying to help the community. > > Best regards, > > Lucas K. Wagner > > > On Tue, Jul 16, 2013 at 4:40 AM, Herbert Fruchtl > <herbert.fruc...@st-andrews.ac.uk <mailto:herbert.fruc...@st-andrews.ac.uk>> > wrote: > > I had a look at this site. It indeed has SIESTA available, but if you use > it, you are asked to reference a bunch of US researchers I have never > heard > of. There is a link to the Barcelona website, but I still think this is a > rather dubious approach (to put it mildly), both legally and ethically. > > Herbert > > On 16/07/13 00:28, Sebastian Caicedo Davila wrote: > > Hi Zahra, > > You should try to use the nanoHUB resources. I haven't used SIESTA > more > than for > trivial calculations, but there is an option to upload your own files > and run > the calculations you need. I don't know how restricted the system > size, > or the > options are, but it could be a solution for your problem. The URL is > www.nanohub.org <http://www.nanohub.org> > > You have to create a free account first. > > Best Regards. > Sebastian > > > On 07/12/2013 08:53 AM, Zahra Talebi wrote: > > hi dear users > I want to run a structure that I did simiulate but my computer is > so > weak and > I cannot run it by my computer. I wanted to know that > is there any site which support Siesta code that I can connect and > put my fdf > file there to do running and then get my out put filesfrom it. > I would appreciate any help. > zahra > > > > -- > Herbert Fruchtl > Senior Scientific Computing Officer > School of Chemistry, School of Mathematics and Statistics > University of St Andrews > -- > The University of St Andrews is a charity registered in Scotland: > No SC013532 > > > > -- > Herbert Fruchtl > Senior Scientific Computing Officer > School of Chemistry, School of Mathematics and Statistics > University of St Andrews > -- > The University of St Andrews is a charity registered in Scotland: > No SC013532 > -- Emilio Artacho CIC nanoGUNE Consolider, and Cavendish Laboratory, University of Cambridge Tolosa Hiribidea 76, E-20018 Donostia - San Sebastián, Spain, e.arta...@nanogune.eu, +34 943 574039, http://theory.nanogune.eu
