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-->{{
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)|
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bib=M. Grumet, P. Liu, M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B '''98''', 155143 (2018).|  
bib=M. Grumet, P. Liu, M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B '''98''', 155143 (2018).|  
link=https://doi.org/10.1103/PhysRevB.98.155143
link=https://doi.org/10.1103/PhysRevB.98.155143
}}{{
Reference|key=grumet:thesis:2017|show={{{1}}}|
bib=M. Grumet, Thesis: Self-consistent GW calculations for solids(2017).|
link=https://utheses.univie.ac.at/detail/43403#
}}{{
}}{{
Reference|key=ramberger:jcp:2019|show={{{1}}}|  
Reference|key=ramberger:jcp:2019|show={{{1}}}|  
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link=https://doi.org/10.1017/S0305004100016108
link=https://doi.org/10.1017/S0305004100016108
}}{{
}}{{
Reference|key=berland:prb:2015|show={{{1}}}|
Reference|key=berland:prb:2014|show={{{1}}}|
bib=K. Berland and P. Hyldgaard, Phys. Rev. B '''89''', 035412 (2014).|
bib=K. Berland and P. Hyldgaard, Phys. Rev. B '''89''', 035412 (2014).|
link=https://doi.org/10.1103/PhysRevB.89.035412
link=https://doi.org/10.1103/PhysRevB.89.035412
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}}{{
}}{{
Reference|key=gonze:prb:1997|show={{{1}}}|
Reference|key=gonze:prb:1997|show={{{1}}}|
bib=X. Gonze and C. Lee, Phys. Rev. B '''55''', 10355 (1997).||
bib=X. Gonze and C. Lee, ''Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory'', Phys. Rev. B '''55''', 10355 (1997).||
link=http://doi.org/10.1103/PhysRevB.55.10355
link=http://doi.org/10.1103/PhysRevB.55.10355
}}{{
}}{{
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}}{{
}}{{
Reference|key=mejia-rodriguez:pra:2017|show={{{1}}}|  
Reference|key=mejia-rodriguez:pra:2017|show={{{1}}}|  
bib=D. Mejía-Rodríguez and S. B. Trickey, Phys. Rev. A '''91''', 052512 (2017).|  
bib=D. Mejía-Rodríguez and S. B. Trickey, ''Deorbitalization strategies for meta-generalized-gradient-approximation exchange-correlation functionals'', Phys. Rev. A '''91''', 052512 (2017).|  
link=https://doi.org/10.1103/PhysRevA.96.052512
link=https://doi.org/10.1103/PhysRevA.96.052512
}}{{
}}{{
Reference|key=mejia-rodriguez:prb:2020|show={{{1}}}|  
Reference|key=mejia-rodriguez:prb:2020|show={{{1}}}|  
bib=D. Mejía-Rodríguez and S. B. Trickey, Phys. Rev. B '''102''', 121109(R) (2020).|  
bib=D. Mejía-Rodríguez and S. B. Trickey, ''Meta-GGA performance in solids at almost GGA cost'', Phys. Rev. B '''102''', 121109(R) (2020).|  
link=https://doi.org/10.1103/PhysRevB.102.121109
link=https://doi.org/10.1103/PhysRevB.102.121109
}}{{
}}{{
Reference|key=mejia-rodriguez:prb:2018|show={{{1}}}|  
Reference|key=mejia-rodriguez:prb:2018|show={{{1}}}|  
bib=D. Mejia-Rodriguez and S. B. Trickey, Phys. Rev. B '''98''', 115161 (2018).|  
bib=D. Mejia-Rodriguez and S. B. Trickey, ''Deorbitalized meta-GGA exchange-correlation functionals in solids'', Phys. Rev. B '''98''', 115161 (2018).|  
link=https://doi.org/10.1103/PhysRevB.98.115161
link=https://doi.org/10.1103/PhysRevB.98.115161
}}{{
}}{{
Reference|key=rauch:jctc:2020|show={{{1}}}|  
Reference|key=rauch:jctc:2020|show={{{1}}}|  
bib=T. Rauch, M. A. L. Marques, and S. Botti, J. Chem. Theory Comput. '''16''', 2654 (2020).|  
bib=T. Rauch, M. A. L. Marques, and S. Botti, ''Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials'', J. Chem. Theory Comput. '''16''', 2654 (2020).|  
link=https://doi.org/10.1021/acs.jctc.9b01147
link=https://doi.org/10.1021/acs.jctc.9b01147
}}{{
}}{{
Reference|key=rauch:prb:2020|show={{{1}}}|  
Reference|key=rauch:prb:2020|show={{{1}}}|  
bib=T. Rauch, M. A. L. Marques, and S. Botti, Phys. Rev. B '''101''', 245163 (2020).|  
bib=T. Rauch, M. A. L. Marques, and S. Botti, ''Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential'', Phys. Rev. B '''101''', 245163 (2020).|  
link=https://doi.org/10.1103/PhysRevB.101.245163
link=https://doi.org/10.1103/PhysRevB.101.245163
}}{{
}}{{
Reference|key=koller:prb:2012|show={{{1}}}|  
Reference|key=koller:prb:2012|show={{{1}}}|  
bib=D. Koller, F. Tran, and P. Blaha, Phys. Rev. B '''85''', 155109 (2012).|  
bib=D. Koller, F. Tran, and P. Blaha, ''Improving the modified Becke-Johnson exchange potential'', Phys. Rev. B '''85''', 155109 (2012).|  
link=http://doi.org/10.1103/PhysRevB.85.155109
link=http://doi.org/10.1103/PhysRevB.85.155109
}}{{
}}{{
Reference|key=ning:prb:2022|show={{{1}}}|  
Reference|key=ning:prb:2022|show={{{1}}}|  
bib=J. Ning, M. Kothakonda, J. W. Furness, A. D. Kaplan, S. Ehlert, J. G. Brandenburg, J. P. Perdew, and J. Sun, ''Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r^2⁢SCAN+rVV⁢10'', Phys. Rev. B '''106''', 075422 (2022).|  
bib=J. Ning, M. Kothakonda, J. W. Furness, A. D. Kaplan, S. Ehlert, J. G. Brandenburg, J. P. Perdew, and J. Sun, ''Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r<math>^2</math>SCAN+rVV⁢10'', Phys. Rev. B '''106''', 075422 (2022).|  
link=https://doi.org/10.1103/PhysRevB.106.075422
link=https://doi.org/10.1103/PhysRevB.106.075422
}}{{
}}{{
Line 1,313: Line 1,314:
bib=J. P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, and J. Sun, ''Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry'', Phys. Rev. Lett. '''103''', 026403 (2009).|  
bib=J. P. Perdew, A. Ruzsinszky, G. I. Csonka, L. A. Constantin, and J. Sun, ''Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry'', Phys. Rev. Lett. '''103''', 026403 (2009).|  
link=http://doi.org/10.1103/PhysRevLett.103.026403
link=http://doi.org/10.1103/PhysRevLett.103.026403
}}{{
Reference|key=feldbauer:prb:2015|show={{{1}}}|
bib=G. Feldbauer, M. Wolloch, P. O. Bedolla, P. Mohn, J. Redinger, and A. Vernes, ''Adhesion and material transfer between contacting Al and TiN surfaces from first principles'', Phys. Rev. B '''91''', 165413 (2015).|
link=https://link.aps.org/doi/10.1103/PhysRevB.91.165413
}}{{
Reference|key=caldeweyher:pccp:2020|show={{{1}}}|
bib=E. Caldeweyher, J.-M. Mewes, S. Ehlert, and S. Grimme, ''Extension and evaluation of the D4 London-dispersion model for periodic systems'', Phys. Chem. Chem. Phys. '''22''', 8499 (2020).|
link=https://doi.org/10.1039/D0CP00502A
}}{{
Reference|key=pizzi:jpcm:2020|show={{{1}}}|
bib=G. Pizzi et al., ''Wannier90 as a community code: new features and applications'', J. Phys.: Condens. Matter '''32''', 165902 (2020).|
link=https://doi.org/10.1088/1361-648X/ab51ff
}}{{
Reference|key=mostofi:cpc:2014|show={{{1}}}|
bib=A. A. Mostofi, J. R. Yates, G. Pizzi, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, ''An Updated Version of Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions'', Computer Physics Communications '''185''', 2309 (2014).|
link=https://doi.org/10.1016/j.cpc.2014.05.003
}}{{
Reference|key=payne:francis:1990|show={{{1}}}|
bib=G. P. Francis and  M. C. Payne, ''Finite basis set corrections to total energy pseudopotential calculations'', J. Condens. Matter Phys. '''2''', 4395 (1990).|
link=https://doi.org/10.1088/0953-8984/2/19/007
}}{{
Reference|key=murnaghan:web|show={{{1}}}|
bib= Murnaghan Equation of State, www.wikipedia.org (2024)|
link=https://en.wikipedia.org/wiki/Murnaghan_equation_of_state
}}{{
Reference|key=vasp:intro:lecture:web|show={{{1}}}|
bib= Introduction to ab-initio simulation in VASP | VASP Lecture, www.youtube.com (2024)|
link=https://youtu.be/Fv3F4LHGPuc?si=dJlZD9dTuxQz__R9
}}{{
Reference|key=gomesdacosta:nielsen:kunc:1986|show={{{1}}}|
bib=P. Gomes Dacosta, O. Nielsen, and K. Kunc, ''Stress theorem in the determination of static equilibrium by the density functional method'', J. Phys. C: Solid State Phys. '''19''', 3163 (1986).|
link=https://doi.org/10.1088/0953-8984/2/19/007
}}{{
Reference|key=ghosez:michenaud:gonze:1998|show={{{1}}}|
bib=Ph. Ghosez, J.-P. Michenaud, and X. Gonze, ''Dynamical atomic charges: The case of AB⁢O3 compounds'', Phys. Rev. B '''58''', 6224 (1998).|
link=https://doi.org/10.1103/PhysRevB.58.6224
}}{{
Reference|key=engel:prb:2020|show={{{1}}}|
bib=M. Engel, M. Marsman, C. Franchini, and G. Kresse, ''Electron-phonon interactions using the projector augmented-wave method and Wannier functions'', Phys. Rev. B '''101''', 184302 (2020).|
link=https://doi.org/10.1103/PhysRevB.101.184302
}}{{
Reference|key=engel:prb:2022|show={{{1}}}|
bib=M. Engel, H. Miranda, L. Chaput, A. Togo, C. Verdi, M. Marsman, and G. Kresse, ''Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method'', Phys. Rev. B '''106''', 094316 (2022).|
link=https://link.aps.org/doi/10.1103/PhysRevB.106.094316
}}{{
Reference|key=simpson:web|show={{{1}}}|
bib= Simpson's rule, www.wikipedia.org (2024)|
link=https://en.wikipedia.org/wiki/Simpson%27s_rule
}}{{
Reference|key=kuebler2000:book|show={{{1}}}|
bib=J. Kübler, ''Theory of itinerant electron magnetism'', Vol. 106. Oxford University Press (2000).|
link=https://books.google.at/books?id=voGKDgAAQBAJ&lpg=PP1&ots=4gJEMsQUYo&dq=itinerant%20electrons%20magnetism&lr&pg=PP1#v=onepage&q=itinerant%20electrons%20magnetism&f=false
}}{{ 
Reference|key=schueler:jpcm:30|show={{{1}}}| 
bib=M. Schüler, O. E. Peil, G. J. Kraberger, R. Pordzik, M. Marsman, G. Kresse, T. O. Wehling, and M. Aichhorn, Journal of Physics: Condensed Matter '''30''', 475901 (2018).| 
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}}{{ 
Reference|key=merkel:joss:7|show={{{1}}}| 
bib=M. E. Merkel, A. Carta, S. Beck and Alexander Hampel, Journal of Open Source Software '''7''', 77 (2022).| 
link=https://doi.org/10.21105/joss.04623
}}{{ 
Reference|key=parcollet:cpc:196|show={{{1}}}| 
bib=O. Parcollet, M. Ferrero, T. Ayral, H. Hafermann, I. Krivenko, L. Messio and P. Seth, Computer Physics Communications '''196''', 398 (2015).| 
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Reference|key=aichhorn:cpc:204|show={{{1}}}| 
bib=M. Aichhorn, L. Pourovskii, P. Seth, V. Vildosola, M. Zingl, O. E. Peil, X. Deng, J. Mravlje, G. J. Kraberger, C. Martins, M. Ferrero, O. Parcollet, Computer Physics Communications '''204''', 200 (2016).| 
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}}{{
Reference|key=tst:web|show={{{1}}}|
bib= Transition state theory, www.wikipedia.org (2024)|
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Reference|key=triqsdfttoolstutorial:web|show={{{1}}}|
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}}{{
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bib= triqs.github.io/solid_dmft/tutorials/PrNiO3_csc_vasp_plo_cthyb/tutorial (2024).|
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}}{{
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bib=S. Poncé, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete, and X. Gonze, ''Temperature dependence of the electronic structure of semiconductors and insulators'', J. Chem. Phys. 143 (10), 102813 (2015).| 
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Reference|key=tao:prl:2016|show={{{1}}}|
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}}{{
Reference|key=chaput:prb:2019|show={{{1}}}| 
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link=https://doi.org/10.1103/PhysRevB.100.174304
}}
}}

Latest revision as of 13:23, 18 October 2024

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 {{cite|key}}.

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.