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Reference|key=unzog:prb:2022|show={{{1}}}|
Reference|key=unzog:prb:2022|show={{{1}}}|
bib=M. Unzog, A. Tal, G. Kresse, Phys. Rev. B '''106''', 155133 (2022).|
bib=M. Unzog, A. Tal, G. Kresse, Phys. Rev. B '''106''', 155133 (2022).|
link=http://dx.doi.org/10.1103/PhysRevB.106.155133
link=http://doi.org/10.1103/PhysRevB.106.155133
}}{{
}}{{
Reference|key=torrie:jcp:1977|show={{{1}}}|
Reference|key=torrie:jcp:1977|show={{{1}}}|
bib=G. M. Torrie and J. P. Valleau, J. Comp. Phys. 23, 187 (1977).|
bib=G. M. Torrie and J. P. Valleau, J. Comp. Phys. 23, 187 (1977).|
link=http://dx.doi.org/10.1016/0021-9991(77)90121-8
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}}{{
Reference|key=frenkel:ap-book:2002|show={{{1}}}|
Reference|key=frenkel:ap-book:2002|show={{{1}}}|
bib=D. Frenkel and B. Smit, ''Understanding molecular simulations: from algorithms to applications'', Academic Press: San Diego, 2002.|
bib=D. Frenkel and B. Smit, ''Understanding molecular simulations: from algorithms to applications'', Academic Press: San Diego, 2002.|
link=http://dx.doi.org/10.1016/0021-9991(77)90121-8
link=http://doi.org/10.1016/0021-9991(77)90121-8
}}{{
}}{{
Reference|key= martyna:jcp:92|show={{{1}}}|
Reference|key= martyna:jcp:92|show={{{1}}}|
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Reference|key= ren:prb:88|show={{{1}}}|
Reference|key= ren:prb:88|show={{{1}}}|
bib=X. Ren, P. Rinke, G. E. Scuseria, and M. Scheffler, ''Phys. Rev. B'' 88, 035120 (2013).|
bib=X. Ren, P. Rinke, G. E. Scuseria, and M. Scheffler, ''Phys. Rev. B'' 88, 035120 (2013).|
link=http://dx.doi.org/10.1103/PhysRevB.88.035120
link=http://doi.org/10.1103/PhysRevB.88.035120
}}{{
}}{{
Reference|key=huebsch:prx:11|show={{{1}}}|
Reference|key=huebsch:prx:11|show={{{1}}}|
bib=Huebsch, M-T and Nomoto, T and Suzuki, M-T and Arita, R,''Benchmark for ab initio prediction of magnetic structures based on cluster-multipole theory'', ''Phys. Rev. X'' 11, 011031 (2021).|
bib=Huebsch, M-T and Nomoto, T and Suzuki, M-T and Arita, R,''Benchmark for ab initio prediction of magnetic structures based on cluster-multipole theory'', ''Phys. Rev. X'' 11, 011031 (2021).|
link=http://dx.doi.org/10.1103/PhysRevX.11.011031
link=http://doi.org/10.1103/PhysRevX.11.011031
}}{{
}}{{
Reference|key=hobbs:prb:00|show={{{1}}}|
Reference|key=hobbs:prb:00|show={{{1}}}|
bib=Hobbs, D., G. Kresse, and J. Hafner,''Fully unconstrained noncollinear magnetism within the projector augmented-wave method.'', ''Phys. Rev. B'' 62(17), 11556 (2000).|
bib=Hobbs, D., G. Kresse, and J. Hafner,''Fully unconstrained noncollinear magnetism within the projector augmented-wave method.'', ''Phys. Rev. B'' 62(17), 11556 (2000).|
link=http://dx.doi.org/10.1103/PhysRevB.62.11556
link=http://doi.org/10.1103/PhysRevB.62.11556
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}}{{
Reference|key=ma:prb:15|show={{{1}}}|
Reference|key=ma:prb:15|show={{{1}}}|
bib=P.-W. Ma and S. L. Dudarev, ''Constrained density functional for noncollinear magnetism'', ''Phys. Rev. B'' 91(5), 054420 (2015).|
bib=P.-W. Ma and S. L. Dudarev, ''Constrained density functional for noncollinear magnetism'', ''Phys. Rev. B'' 91(5), 054420 (2015).|
link=http://dx.doi.org/10.1103/PhysRevB.91.054420
link=http://doi.org/10.1103/PhysRevB.91.054420
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}}{{
Reference|key=hellmann:JChemPhys:1935|show={{{1}}}|
Reference|key=hellmann:JChemPhys:1935|show={{{1}}}|
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bib=Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Volker Blum, Damien Caliste, Ivano E. Castelli, Stewart J. Clark, Andrea Dal Corso, Stefano de Gironcoli, Thierry Deutsch, John Kay Dewhurst, Igor Di Marco, Claudia Draxl, Marcin Dułak, Olle Eriksson, José A. Flores-Livas, Kevin F. Garrity, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Stefan Goedecker, Xavier Gonze, Oscar Grånäs, E. K. U. Gross, Andris Gulans, François Gygi, D. R. Hamann, Phil J. Hasnip, N. A. W. Holzwarth, Diana Iuşan, Dominik B. Jochym, François Jollet, Daniel Jones, Georg Kresse, Klaus Koepernik, Emine Küçükbenli, Yaroslav O. Kvashnin, Inka L. M. Locht, Sven Lubeck, Martijn Marsman, Nicola Marzari, Ulrike Nitzsche, Lars Nordström, Taisuke Ozaki, Lorenzo Paulatto, Chris J. Pickard, Ward Poelmans, Matt I. J. Probert, Keith Refson, Manuel Richter, Gian-Marco Rignanese, Santanu Saha, Matthias Scheffler, Martin Schlipf, Karlheinz Schwarz, Sangeeta Sharma, Francesca Tavazza, Patrik Thunström, Alexandre Tkatchenko, Marc Torrent, David Vanderbilt, Michiel J. van Setten, Veronique Van Speybroeck, John M. Wills, Jonathan R. Yates, Guo-Xu Zhang, and Stefaan Cottenier , ''Reproducibility in density functional theory calculations of solids'', ''Science'' 351, 6280 (2016).|
bib=Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Volker Blum, Damien Caliste, Ivano E. Castelli, Stewart J. Clark, Andrea Dal Corso, Stefano de Gironcoli, Thierry Deutsch, John Kay Dewhurst, Igor Di Marco, Claudia Draxl, Marcin Dułak, Olle Eriksson, José A. Flores-Livas, Kevin F. Garrity, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Stefan Goedecker, Xavier Gonze, Oscar Grånäs, E. K. U. Gross, Andris Gulans, François Gygi, D. R. Hamann, Phil J. Hasnip, N. A. W. Holzwarth, Diana Iuşan, Dominik B. Jochym, François Jollet, Daniel Jones, Georg Kresse, Klaus Koepernik, Emine Küçükbenli, Yaroslav O. Kvashnin, Inka L. M. Locht, Sven Lubeck, Martijn Marsman, Nicola Marzari, Ulrike Nitzsche, Lars Nordström, Taisuke Ozaki, Lorenzo Paulatto, Chris J. Pickard, Ward Poelmans, Matt I. J. Probert, Keith Refson, Manuel Richter, Gian-Marco Rignanese, Santanu Saha, Matthias Scheffler, Martin Schlipf, Karlheinz Schwarz, Sangeeta Sharma, Francesca Tavazza, Patrik Thunström, Alexandre Tkatchenko, Marc Torrent, David Vanderbilt, Michiel J. van Setten, Veronique Van Speybroeck, John M. Wills, Jonathan R. Yates, Guo-Xu Zhang, and Stefaan Cottenier , ''Reproducibility in density functional theory calculations of solids'', ''Science'' 351, 6280 (2016).|
link=https://doi.org/10.1126/science.aad3000
link=https://doi.org/10.1126/science.aad3000
}}{{
Reference|key=caldeweyher:jcp:2019|show={{{1}}}|
bib=Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, Hagen Neugebauer, Sebastian Spicher, Christoph Bannwarth, Stefan Grimme, J. Chem. Phys. '''150''', 154122 (2019).|
link=https://doi.org/10.1063/1.5090222
}}
}}

Revision as of 12:19, 12 October 2023