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< | <noinclude>This template is similar to how LaTeX manages citations, you have a key and then a text that is included. | ||
The template translates this to the mediawiki format. Usage <nowiki>{{</nowiki>cite|''key''<nowiki>}}</nowiki>. | |||
{{NB|mind|Add new citations to the end of this list. Be wary of the whitespace here as it will be introduced to the other document when you include it via the template. A good test is that the preview page should be completely empty and not show any empty lines.}} | |||
</noinclude>{{ | |||
Reference|key=broyden:mc:1965|show={{{1}}}| | Reference|key=broyden:mc:1965|show={{{1}}}| | ||
bib=C.G. Broyden, Math. Comput. '''19''', 577 (1965)| | bib=C. G. Broyden, Math. Comput. '''19''', 577 (1965)| | ||
link=https://doi.org/10.1090/S0025-5718-1965-0198670-6 | link=https://doi.org/10.1090/S0025-5718-1965-0198670-6 | ||
}}{{ | }}{{ | ||
Reference|key=pulay:cpl:1980|show={{{1}}}| | Reference|key=pulay:cpl:1980|show={{{1}}}| | ||
bib=P. Pulay, Chem. Phys. Lett. '''73''', 393 (1980).| | bib=P. Pulay, Chem. Phys. Lett. '''73''', 393 (1980).| | ||
link=https:// | link=https://doi.org/10.1016/0009-2614(80)80396-4 | ||
}}{{ | }}{{ | ||
Reference|key=johnson:prb:1988|show={{{1}}}| | Reference|key=johnson:prb:1988|show={{{1}}}| | ||
bib=D.D. Johnson, Phys. Rev. B '''38''', 12807 (1988)| | bib=D. D. Johnson, Phys. Rev. B '''38''', 12807 (1988)| | ||
link=https://doi.org/10.1103/PhysRevB.38.12807 | link=https://doi.org/10.1103/PhysRevB.38.12807 | ||
}}{{ | }}{{ | ||
Line 25: | Line 20: | ||
}}{{ | }}{{ | ||
Reference|key=kresse:cms:1996|show={{{1}}}| | Reference|key=kresse:cms:1996|show={{{1}}}| | ||
bib=G. Kresse | bib=G. Kresse and J. Furthmüller, Comp. Mater. Sci. '''6''', 15 (1996)| | ||
link=https://doi.org/10.1016/0927-0256(96)00008-0 | link=https://doi.org/10.1016/0927-0256(96)00008-0 | ||
}}{{ | }}{{ | ||
Reference|key=sun:prb:11|show={{{1}}}| | Reference|key=sun:prb:11|show={{{1}}}| | ||
Line 39: | Line 28: | ||
}}{{ | }}{{ | ||
Reference|key=sun:natm:16|show={{{1}}}| | Reference|key=sun:natm:16|show={{{1}}}| | ||
bib=J. Sun, | bib=J. Sun, R. C. Remsing, Y. Zhang, Z. Sun, A. Ruzsinszky, H. Peng, Z. Yang, A. Paul, U. Waghmare, X. Wu, M. L. Klein, and J. P. Perdew, Nat. Chem. '''8''', 831 (2016).| | ||
link=https://doi.org/10.1038/nchem.2535 | link=https://doi.org/10.1038/nchem.2535 | ||
}}{{ | }}{{ | ||
Line 47: | Line 36: | ||
}}{{ | }}{{ | ||
Reference|key=sun:jcp:12|show={{{1}}}| | Reference|key=sun:jcp:12|show={{{1}}}| | ||
bib=J. Sun, B. Xiao and A. Ruzsinszky, J. Chem. Phys. '''137''', 051101 (2012).| | bib=J. Sun, B. Xiao, and A. Ruzsinszky, J. Chem. Phys. '''137''', 051101 (2012).| | ||
link=https://doi.org/10.1063/1.4742312 | link=https://doi.org/10.1063/1.4742312 | ||
}}{{ | }}{{ | ||
Reference|key=sun:jcp:13|show={{{1}}}| | Reference|key=sun:jcp:13|show={{{1}}}| | ||
bib=J. Sun, R. Haunschild, B. Xiao, I. W. Bulik, G. E. Scuseria and J. P. Perdew, J. Chem. Phys. '''138''', 044113 (2013).| | bib=J. Sun, R. Haunschild, B. Xiao, I. W. Bulik, G. E. Scuseria, and J. P. Perdew, J. Chem. Phys. '''138''', 044113 (2013).| | ||
link=https://doi.org/10.1063/1.4789414 | link=https://doi.org/10.1063/1.4789414 | ||
}}{{ | }}{{ | ||
Reference|key=becke:jcp:06|show={{{1}}}| | Reference|key=becke:jcp:06|show={{{1}}}| | ||
bib=A. D. Becke and E. R. Johnson, J. Chem. Phys. '''124''', 221101 (2006).| | bib=A. D. Becke and E. R. Johnson, J. Chem. Phys. '''124''', 221101 (2006).| | ||
link=https:// | link=https://doi.org/10.1063/1.2213970 | ||
}}{{ | }}{{ | ||
Reference|key=tran:prl:09|show={{{1}}}| | Reference|key=tran:prl:09|show={{{1}}}| | ||
Line 67: | Line 56: | ||
}}{{ | }}{{ | ||
Reference|key=teter:prb:1989|show={{{1}}}| | Reference|key=teter:prb:1989|show={{{1}}}| | ||
bib= M.P. Teter, M.C. Payne and D.C. Allan, Phys. Rev. B '''40''', 12255 (1989).| | bib= M. P. Teter, M. C. Payne, and D. C. Allan, Phys. Rev. B '''40''', 12255 (1989).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.40.12255 | ||
}}{{ | }}{{ | ||
Reference|key=bylander:prb:1990|show={{{1}}}| | Reference|key=bylander:prb:1990|show={{{1}}}| | ||
bib=D.M. Bylander, L. Kleinman and S. Lee, Phys Rev. B '''42''', 1394 (1990).| | bib=D. M. Bylander, L. Kleinman, and S. Lee, Phys Rev. B '''42''', 1394 (1990).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.42.1394 | ||
}}{{ | }}{{ | ||
Reference|key=davidson:book:1983|show={{{1}}}| | Reference|key=davidson:book:1983|show={{{1}}}| | ||
bib=R. Davidson, Methods in Computational Molecular Physics edited by G.H.F. Diercksen and S. Wilson Vol. 113 NATO Advanced Study Institute, Series C (Plenum, New York, 1983), p. 95.| | bib=R. Davidson, Methods in Computational Molecular Physics edited by G.H.F. Diercksen, and S. Wilson Vol. 113 NATO Advanced Study Institute, Series C (Plenum, New York, 1983), p. 95.| | ||
link=https:// | link=https://doi.org/10.1007/978-94-009-7200-1 | ||
}}{{ | }}{{ | ||
Reference|key=liu:book:1978|show={{{1}}}| | Reference|key=liu:book:1978|show={{{1}}}| | ||
Line 83: | Line 72: | ||
}}{{ | }}{{ | ||
Reference|key=wood:jpa:1985|show={{{1}}}| | Reference|key=wood:jpa:1985|show={{{1}}}| | ||
bib= D. M. Wood and A. Zunger, J. Phys. A, 1343 (1985).| | bib= D. M. Wood and A. Zunger, J. Phys. A '''18''', 1343 (1985).| | ||
link=https:// | link=https://doi.org/10.1088/0305-4470/18/9/018 | ||
}}{{ | }}{{ | ||
Reference|key=press:book:1986|show={{{1}}}| | Reference|key=press:book:1986|show={{{1}}}| | ||
bib= W.H. Press, B.P. Flannery, S.A. Teukolsky and W.T. Vetterling, em Numerical Recipes (Cambridge University Press, New York, 1986).| | bib= W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, em Numerical Recipes (Cambridge University Press, New York, 1986).| | ||
link= | link=https://archive.org/details/numericalrecipes00pres | ||
}}{{ | }}{{ | ||
Reference|key=baldereschi:prb:1973|show={{{1}}}| | Reference|key=baldereschi:prb:1973|show={{{1}}}| | ||
bib= A. Baldereschi, Phys. Rev. B '''7''', 5212 (1973).| | bib= A. Baldereschi, Phys. Rev. B '''7''', 5212 (1973).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.7.5212 | ||
}}{{ | }}{{ | ||
Reference|key=chadi:prb:1973|show={{{1}}}| | Reference|key=chadi:prb:1973|show={{{1}}}| | ||
bib= D.J. Chadi and M.L. Cohen, Phys. Rev. B '''8''', 5747 (1973).| | bib= D.J. Chadi and M.L. Cohen, Phys. Rev. B '''8''', 5747 (1973).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.8.5747 | ||
}}{{ | }}{{ | ||
Reference|key=monkhorst:prb:1976|show={{{1}}}| | Reference|key=monkhorst:prb:1976|show={{{1}}}| | ||
bib= H.J. Monkhorst and J.D. Pack, Phys. Rev. B '''13''', 5188 (1976).| | bib= H.J. Monkhorst and J.D. Pack, Phys. Rev. B '''13''', 5188 (1976).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.13.5188 | ||
}}{{ | }}{{ | ||
Reference|key=bloechl:prb:1994|show={{{1}}}| | Reference|key=bloechl:prb:1994|show={{{1}}}| | ||
bib= P.E. Blöchl, O. Jepsen and O.K. Andersen, Phys. Rev. B '''49''', 16223 (1994).| | bib= P.E. Blöchl, O. Jepsen, and O.K. Andersen, Phys. Rev. B '''49''', 16223 (1994).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.49.16223 | ||
}}{{ | }}{{ | ||
Reference|key=wisesa:prb:2016|show={{{1}}}| | Reference|key=wisesa:prb:2016|show={{{1}}}| | ||
bib= P. Wisesa, K.A. McGill, and T. Mueller, Phys. Rev. B '''93''', 155109 (2016).| | bib= P. Wisesa, K.A. McGill, and T. Mueller, Phys. Rev. B '''93''', 155109 (2016).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.93.155109 | ||
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Reference|key=kplib|show={{{1}}}| | |||
bib=https://muellergroup.jhu.edu/K-Points.html (2022).| | |||
link=https://muellergroup.jhu.edu/K-Points.html | |||
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Reference|key=morgan:cms:2020|show={{{1}}}| | Reference|key=morgan:cms:2020|show={{{1}}}| | ||
bib= W.S. Morgan, J.E. Christensen, P.K. Hamilton, J.J. Jorgensen, B.J. Campbell, G.L.W. Hart, and R.W. Forcade, Comput. Mater. Sci. '''173''', 109340 (2020).| | bib= W.S. Morgan, J.E. Christensen, P.K. Hamilton, J.J. Jorgensen, B.J. Campbell, G.L.W. Hart, and R.W. Forcade, Comput. Mater. Sci. '''173''', 109340 (2020).| | ||
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Reference|key=auto_gr|show={{{1}}}| | |||
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link=https://github.com/msg-byu/autoGR | |||
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Reference|key=mermin:pra:1965|show={{{1}}}| | Reference|key=mermin:pra:1965|show={{{1}}}| | ||
bib= N.D. Mermin, Phys. Rev. '''137''', | bib= N.D. Mermin, Phys. Rev. '''137''', A1441 (1965).| | ||
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Reference|key=devita:phd:1992|show={{{1}}}| | Reference|key=devita:phd:1992|show={{{1}}}| | ||
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Reference|key=methfessel:prb:1989|show={{{1}}}| | Reference|key=methfessel:prb:1989|show={{{1}}}| | ||
bib= M. Methfessel and A.T. Paxton, Phys. Rev. B '''40''', 3616 (1989).| | bib= M. Methfessel and A.T. Paxton, Phys. Rev. B '''40''', 3616 (1989).| | ||
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Reference|key=karsai:prb:2018|show={{{1}}}| | Reference|key=karsai:prb:2018|show={{{1}}}| | ||
bib= F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha and G. Kresse, Phys. Rev. B '''98''', 235205 (2018).| | bib= F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha, and G. Kresse, Phys. Rev. B '''98''', 235205 (2018).| | ||
link=https:// | link=https://doi.org/10.1103/PhysRevB.98.235205 | ||
}}{{ | }}{{ | ||
Reference|key=zacharias:prb:2016|show={{{1}}}| | Reference|key=zacharias:prb:2016|show={{{1}}}| | ||
bib= M. Zacharias and F. Giustino, Phys. Rev. B '''94''', 075125 (2016).| | bib= M. Zacharias and F. Giustino, Phys. Rev. B '''94''', 075125 (2016).| | ||
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Reference|key=karsai:njp:2018|show={{{1}}}| | Reference|key=karsai:njp:2018|show={{{1}}}| | ||
bib= F. Karsai, M. Engel, E. Flage-Larssen and G. Kresse, New J. of Phys. '''20''', 123008 (2018).| | bib= F. Karsai, M. Engel, E. Flage-Larssen, and G. Kresse, New J. of Phys. '''20''', 123008 (2018).| | ||
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Reference|key=bloch:zfp:1932|show={{{1}}}| | Reference|key=bloch:zfp:1932|show={{{1}}}| | ||
Line 144: | Line 141: | ||
Reference|key=landau:ctp:1959|show={{{1}}}| | Reference|key=landau:ctp:1959|show={{{1}}}| | ||
bib= L. D. Landau and E. M. Lifshitz, Course of Theoretical Physics: Statistical Physics vol 5, (London: Pergamon), (1959).| | bib= L. D. Landau and E. M. Lifshitz, Course of Theoretical Physics: Statistical Physics vol 5, (London: Pergamon), (1959).| | ||
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Reference|key=jinnouchi:prl:2019|show={{{1}}}| | Reference|key=jinnouchi:prl:2019|show={{{1}}}| | ||
bib= R. Jinnouchi, J. Lahnsteiner, F. Karsai, G. Kresse and M. Bokdam, Phys. Rev. Lett. '''122''', 225701 (2019).| | bib= R. Jinnouchi, J. Lahnsteiner, F. Karsai, G. Kresse, and M. Bokdam, Phys. Rev. Lett. '''122''', 225701 (2019).| | ||
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Reference|key=jinnouchi2:arx:2019|show={{{1}}}| | Reference|key=jinnouchi2:arx:2019|show={{{1}}}| | ||
bib= R. Jinnouchi, F. Karsai and G. Kresse, Phys. Rev. B '''100''', 014105 (2019).| | bib= R. Jinnouchi, F. Karsai, and G. Kresse, Phys. Rev. B '''100''', 014105 (2019).| | ||
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Reference|key=bartok:prb:2013|show={{{1}}}| | Reference|key=bartok:prb:2013|show={{{1}}}| | ||
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}}{{ | }}{{ | ||
Reference|key=bartok:prl:2010|show={{{1}}}| | Reference|key=bartok:prl:2010|show={{{1}}}| | ||
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}}{{ | }}{{ | ||
Reference|key=bishop:book:2006|show={{{1}}}| | Reference|key=bishop:book:2006|show={{{1}}}| | ||
Line 167: | Line 164: | ||
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Reference|key=miwa:prb:2016|show={{{1}}}| | Reference|key=miwa:prb:2016|show={{{1}}}| | ||
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Reference|key=gull:book:1989|show={{{1}}}| | Reference|key=gull:book:1989|show={{{1}}}| | ||
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Reference|key=mackay:neu:2012|show={{{1}}}| | Reference|key=mackay:neu:2012|show={{{1}}}| | ||
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Reference|key=jinnouchi:pcl:2017|show={{{1}}}| | Reference|key=jinnouchi:pcl:2017|show={{{1}}}| | ||
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Reference|key=behler:prl:2007|show={{{1}}}| | Reference|key=behler:prl:2007|show={{{1}}}| | ||
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Reference|key=andersen:jcp:1980|show={{{1}}}| | Reference|key=andersen:jcp:1980|show={{{1}}}| | ||
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Reference|key=frenkel:book:1996|show={{{1}}}| | Reference|key=frenkel:book:1996|show={{{1}}}| | ||
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Reference|key=boyd:book:2000|show={{{1}}}| | Reference|key=boyd:book:2000|show={{{1}}}| | ||
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Reference|key=szlachta:prb:2014|show={{{1}}}| | Reference|key=szlachta:prb:2014|show={{{1}}}| | ||
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Reference|key=nose:jcp:1984|show={{{1}}}| | Reference|key=nose:jcp:1984|show={{{1}}}| | ||
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Reference|key=nose:ptp:1991|show={{{1}}}| | Reference|key=nose:ptp:1991|show={{{1}}}| | ||
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Reference|key=bylander:prb:1992|show={{{1}}}| | Reference|key=bylander:prb:1992|show={{{1}}}| | ||
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Reference|key=hoover:pra:1985|show={{{1}}}| | Reference|key=hoover:pra:1985|show={{{1}}}| | ||
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Reference|key=allen:book:1991|show={{{1}}}| | Reference|key=allen:book:1991|show={{{1}}}| | ||
Line 223: | Line 220: | ||
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Reference|key=hoover:prl:1982|show={{{1}}}| | Reference|key=hoover:prl:1982|show={{{1}}}| | ||
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Reference|key=evans:jcp:1983|show={{{1}}}| | Reference|key=evans:jcp:1983|show={{{1}}}| | ||
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Reference|key=parrinello:prl:1980|show={{{1}}}| | Reference|key=parrinello:prl:1980|show={{{1}}}| | ||
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Reference|key=parrinello:jap:1981|show={{{1}}}| | Reference|key=parrinello:jap:1981|show={{{1}}}| | ||
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Reference|key=pederson:prb:1991|show={{{1}}}| | Reference|key=pederson:prb:1991|show={{{1}}}| | ||
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Latest revision as of 13:46, 20 December 2024
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