Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
Yes... we have to be careful about it as well as others when we need to think positively. All the best to all... On 8 Dec 2016 5:24 p.m., "Sam Trickey" wrote: > Be very careful with this article. The method it presents purports to > give a correct set of DFT results - both total energy and band gap - > with a prescription for constructing a finite-sized basis set. The > explicit contradiction with the concept of the complete basis set limit > should be cause for skepticism at the least. > peace, Sam > > On 12/08/2016 08:11 AM, Osama Yassin wrote: > > Dear Colleague > > I came across the article: > > *Understanding density functional theory (DFT) and completing it in > practice. **It may be of interest for develpers and users of DFT.* > > http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 > > The article is open for free. > > Best wishes > > *Osama * > *Prof Dr Osama Ali Yassin * > *Professor of Solid State Physics and former ICTP regular associate* > *Department of Physics, Faculty of Science* > *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* > > > ___ > Wien mailing > listw...@zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > > -- > Samuel B. Trickey > QTP, Depts. of Physics and Chemistry > 2324 Physics Building > Box 118435 > Univ. of Florida > Gainesville, FL 32611-8435 > Vox: 352-392-6978 (direct) > Vox: 352-392-1597 (receptionist) > Fax: 352-392-8722 > http://www.qtp.ufl.edu/ofdfthttp://users.clas.ufl.edu/trickey > > > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
I doubt that this is of interest. Am 08.12.2016 um 14:11 schrieb Osama Yassin: Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *_Osama _* *Prof Dr Osama Ali Yassin ** ** * */Professor of Solid State Physics and former ICTP regular associate/* */Department of Physics, Faculty of Science/* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
Be very careful with this article. The method it presents purports to give a correct set of DFT results - both total energy and band gap - with a prescription for constructing a finite-sized basis set. The explicit contradiction with the concept of the complete basis set limit should be cause for skepticism at the least. peace, Sam On 12/08/2016 08:11 AM, Osama Yassin wrote: Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *_Osama _* *Prof Dr Osama Ali Yassin * */Professor of Solid State Physics and former ICTP regular associate/* */Department of Physics, Faculty of Science/* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- Samuel B. Trickey QTP, Depts. of Physics and Chemistry 2324 Physics Building Box 118435 Univ. of Florida Gainesville, FL 32611-8435 Vox: 352-392-6978 (direct) Vox: 352-392-1597 (receptionist) Fax: 352-392-8722 http://www.qtp.ufl.edu/ofdft http://users.clas.ufl.edu/trickey ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] An interesting article on DFT: Understanding density functional theory (DFT) and completing it in practice
Dear Colleague I came across the article: *Understanding density functional theory (DFT) and completing it in practice. **It may be of interest for develpers and users of DFT.* http://scitation.aip.org/content/aip/journal/adva/4/12/10.1063/1.4903408 The article is open for free. Best wishes *Osama * *Prof Dr Osama Ali Yassin * *Professor of Solid State Physics and former ICTP regular associate* *Department of Physics, Faculty of Science* *Taibah University, A-Madinah Al-Munawarh, Saudi Arabia* ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html