The VASP Manual - Revision history

Liebetreu at 12:09, 15 April 2026

2026-04-15T12:09:49Z

Liebetreu at 12:06, 15 April 2026

2026-04-15T12:06:44Z

← Older revision		Revision as of 12:06, 15 April 2026
Line 1:		Line 1:
	{\|cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\|cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);"\| [[Welcome\|Take a tour]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);"\| [[Welcome\|Take a tour]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred);"\| [[Changelog\|Release notes]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred);"\| [https://www.vasp.at VASP website and news] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred);"\| [https://www.vasp.at/forum/ Forum]
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\|[https://www.vasp.at/learn/ Learn], [[:Category:Examples\|examples]], [[:Category:Tutorials\|Wiki tutorials]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\| {{py4vasp}} \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\| [https://www.vasp.at/sign_in/portal Portal]		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan);"\|[https://www.vasp.at/learn/ Learn], [[:Category:Examples\|examples]], [[:Category:Tutorials\|Wiki tutorials]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan);"\| {{py4vasp}} \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan);"\| [https://www.vasp.at/sign_in/portal Portal]
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [[Known issues]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [https://www.vasp.at/tutorials/latest/ Tutorials]\|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw Lectures]		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue);"\| [[Known issues]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue);"\| [https://www.vasp.at/tutorials/latest/ Tutorials]\|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue);"\| [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw Lectures]
	\|-		\|-
	\|}		\|}

Liebetreu at 12:04, 15 April 2026

2026-04-15T12:04:12Z

← Older revision		Revision as of 12:04, 15 April 2026
Line 1:		Line 1:
	{\|cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\|cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [[Welcome\|Take a tour]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);"\| [[Welcome\|Take a tour]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]

Liebetreu at 12:00, 15 April 2026

2026-04-15T12:00:56Z

← Older revision		Revision as of 12:00, 15 April 2026
Line 1:		Line 1:
	{\| ~~class="vasp-dark-link-panel"~~ cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\|cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\| style="background-color:var(--vpurple-bg);"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [[Welcome\|Take a tour]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]
	\|-		\|-
	\|style="background-color:var(--vcyan-bg);"\|[https://www.vasp.at/learn/ Learn], [[:Category:Examples\|examples]], [[:Category:Tutorials\|Wiki tutorials]] \|\|style="background-color:var(--vcyan-bg);"\| {{py4vasp}} \|\|style="background-color:var(--vcyan-bg);"\| [https://www.vasp.at/sign_in/portal Portal]		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\|[https://www.vasp.at/learn/ Learn], [[:Category:Examples\|examples]], [[:Category:Tutorials\|Wiki tutorials]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\| {{py4vasp}} \|\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg);"\| [https://www.vasp.at/sign_in/portal Portal]
	\|-		\|-
	\|style="background-color:var(--vblue-bg);"\| [[Known issues]] \|\|style="background-color:var(--vblue-bg);"\| [https://www.vasp.at/tutorials/latest/ Tutorials]\|\|style="background-color:var(--vblue-bg);"\| [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw Lectures]		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [[Known issues]] \|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [https://www.vasp.at/tutorials/latest/ Tutorials]\|\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg);"\| [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw Lectures]
	\|-		\|-
	\|}		\|}

Liebetreu at 11:42, 15 April 2026

2026-04-15T11:42:26Z

← Older revision		Revision as of 11:42, 15 April 2026
Line 1:		Line 1:
	{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\| style="background-color:var(--vpurple-bg)~~; border-style=solid; border-width: 1px !important; border-color: var(--vpurple) !important~~;"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\| style="background-color:var(--vpurple-bg);"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]

Liebetreu at 11:41, 15 April 2026

2026-04-15T11:41:29Z

← Older revision		Revision as of 11:41, 15 April 2026
Line 1:		Line 1:
	{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\| style="background-color:var(--vpurple-bg); border-style=solid; border-width: 1px; border-color: var(--vpurple);"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\| style="background-color:var(--vpurple-bg); border-style=solid; border-width: 1px !important; border-color: var(--vpurple) !important;"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]

Liebetreu at 11:40, 15 April 2026

2026-04-15T11:40:41Z

← Older revision		Revision as of 11:40, 15 April 2026
Line 1:		Line 1:
	{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"		{\| class="vasp-dark-link-panel" cellpadding="5" cellspacing="15" style="width: 100%; border-spacing: 15px;"
	\| style="background-color:var(--vpurple-bg);"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]		\| style="background-color:var(--vpurple-bg); border-style=solid; border-width: 1px; border-color: var(--vpurple);"\| [[Welcome\|Take a tour]] \|\| style="background-color:var(--vpurple-bg);"\|[[Installing VASP.6.X.X\|Install VASP]] \|\| style="background-color:var(--vpurple-bg);"\| [https://www.vasp.at/sign_in/registration_form/ Get a license]
	\|-		\|-
	\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]		\|style="background-color:var(--vred-bg);"\| [[Changelog\|Release notes]] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at VASP website and news] \|\|style="background-color:var(--vred-bg);"\| [https://www.vasp.at/forum/ Forum]

Liebetreu at 10:16, 14 April 2026

2026-04-14T10:16:03Z

Show changes

Liebetreu at 10:14, 14 April 2026

2026-04-14T10:14:58Z

Show changes

Liebetreu at 11:34, 13 April 2026

2026-04-13T11:34:14Z

← Older revision		Revision as of 12:09, 15 April 2026
Line 16:		Line 16:
	! scope="col" class="unsortable" style="padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| ''subtopics (amongst others)''		! scope="col" class="unsortable" style="padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| ''subtopics (amongst others)''
	\|-		\|-
	\| class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Theory\| Theoretical background]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| We collect '''theory pages''' from all the different areas VASP offers functionalities. These can also be found in the corresponding category of the topic. For instance, the article on the [[Blocked-Davidson algorithm]] is also linked from the [[electronic minimization]] page.		\| class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Theory\| Theoretical background]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| We collect '''theory pages''' from all the different areas VASP offers functionalities. These can also be found in the corresponding category of the topic. For instance, the article on the [[Blocked-Davidson algorithm]] is also linked from the [[electronic minimization]] page.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Calculation setup\| Calculation setup]] \|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| The '''computational setup''' considers the [[installation]], the input and output [[files]], [[performance]], etc. To learn how to set up your calculation, it is probably best to look for a [[:Category:Howto\|how-to page]], e.g., [[setting up an electronic minimization]], [[band-structure calculation using hybrid functionals]], [[constructing Wannier orbitals]], [[structure optimization]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); --box-emph-color:var(--vpurple);padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Calculation setup\| Calculation setup]] \|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| The '''computational setup''' considers the [[installation]], the input and output [[files]], [[performance]], etc. To learn how to set up your calculation, it is probably best to look for a [[:Category:Howto\|how-to page]], e.g., [[setting up an electronic minimization]], [[band-structure calculation using hybrid functionals]], [[constructing Wannier orbitals]], [[structure optimization]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\|[[:Category:Electronic minimization\| Electronic minimization]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| '''Electronic minimization''' is the central task in many calculations. Here, you find pages describing the [[self-consistency cycle]], different algorithms, e.g., [[blocked-Davidson algorithm]], [[RMM-DIIS]], [[direct optimization of the orbitals]], and related topics like [[preconditioning]], [[density mixing]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\|[[:Category:Electronic minimization\| Electronic minimization]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| '''Electronic minimization''' is the central task in many calculations. Here, you find pages describing the [[self-consistency cycle]], different algorithms, e.g., [[blocked-Davidson algorithm]], [[RMM-DIIS]], [[direct optimization of the orbitals]], and related topics like [[preconditioning]], [[density mixing]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electronic ground-state properties\| Electronic ground-state properties]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Band structure\|Band structure]], [[:Category:Density of states \|density of states]], partial DOS and on-site charge and magnetization ({{TAG\|LORBIT}}), [[:Category:Electrostatics \|electrostatics]], [[:Category:Charge density\|charge density]], [[:Category:Potential\|potential]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electronic ground-state properties\| Electronic ground-state properties]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Band structure\|Band structure]], [[:Category:Density of states \|density of states]], partial DOS and on-site charge and magnetization ({{TAG\|LORBIT}}), [[:Category:Electrostatics \|electrostatics]], [[:Category:Charge density\|charge density]], [[:Category:Potential\|potential]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Magnetism\| Spin degree of freedom]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Magnetism\| Spin degree of freedom]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation functionals\|Exchange-correlation functionals]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation_functionals\|LDA]], [[:Category:Exchange-correlation_functionals\|GGA]], [[:Category:Exchange-correlation_functionals\|meta-GGA]], [[:Category:DFT+U\|DFT+U]], [[:Category:Hybrid functionals\|hybrid functionals]], [[:Category:van_der_Waals_functionals\|van der Waals functionals]].		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); --box-emph-color:var(--vred); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation functionals\|Exchange-correlation functionals]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation_functionals\|LDA]], [[:Category:Exchange-correlation_functionals\|GGA]], [[:Category:Exchange-correlation_functionals\|meta-GGA]], [[:Category:DFT+U\|DFT+U]], [[:Category:Hybrid functionals\|hybrid functionals]], [[:Category:van_der_Waals_functionals\|van der Waals functionals]].
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Symmetry\| Symmetry and structure]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Crystal symmetry, [[:Category:Crystal momentum\|reciprocal space]], surfaces, pair-correlation function for liquids, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Symmetry\| Symmetry and structure]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Crystal symmetry, [[:Category:Crystal momentum\|reciprocal space]], surfaces, pair-correlation function for liquids, etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ionic minimization\| Ionic minimization]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Structure optimization]], ionic-minimization methods, [[:Category:Forces\|forces]], [[:Category:Transition States\|transition states]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ionic minimization\| Ionic minimization]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Structure optimization]], ionic-minimization methods, [[:Category:Forces\|forces]], [[:Category:Transition States\|transition states]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Molecular dynamics\| Molecular dynamics]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Barostats, [[:Category:Thermostats\|thermostats]], [[:Category:Ensembles\|ensembles]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Molecular dynamics\| Molecular dynamics]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Barostats, [[:Category:Thermostats\|thermostats]], [[:Category:Ensembles\|ensembles]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ensemble properties\| Ensemble properties]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Monitoring geometric parameters, pair-correlation function, thermal conductivity, diffusion, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ensemble properties\| Ensemble properties]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Monitoring geometric parameters, pair-correlation function, thermal conductivity, diffusion, etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Advanced molecular-dynamics sampling\| Advanced molecular-dynamics sampling]] \|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Interface pinning]], [[constrained molecular dynamics]], [[metadynamics]], [[thermodynamic integration]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Advanced molecular-dynamics sampling\| Advanced molecular-dynamics sampling]] \|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Interface pinning]], [[constrained molecular dynamics]], [[metadynamics]], [[thermodynamic integration]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Machine-learned force fields\| Machine-learned force fields]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Training and application of force fields.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); --box-emph-color:var(--vcyan); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Machine-learned force fields\| Machine-learned force fields]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Training and application of force fields.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Phonons\| Phonons]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Lattice vibrations, [[Phonons_from_finite_differences \| finite differences]], [[Computing_the_phonon_dispersion_and_DOS \| phonon dispersion relation]].		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Phonons\| Phonons]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Lattice vibrations, [[Phonons_from_finite_differences \| finite differences]], [[Computing_the_phonon_dispersion_and_DOS \| phonon dispersion relation]].
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electron-phonon_interactions \| Electron-phonon interactions]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Bandgap_renormalization_due_to_electron-phonon_coupling \| Band-structure renormalization]], [[Transport_coefficients_including_electron-phonon_scattering \| transport]], [[Electron-phonon_interactions_from_Monte-Carlo_sampling \|stochastic sampling]].		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electron-phonon_interactions \| Electron-phonon interactions]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Bandgap_renormalization_due_to_electron-phonon_coupling \| Band-structure renormalization]], [[Transport_coefficients_including_electron-phonon_scattering \| transport]], [[Electron-phonon_interactions_from_Monte-Carlo_sampling \|stochastic sampling]].
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Linear response\| Response theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Static and frequency-dependent [[:Category:Dielectric properties\|dielectric properties]], Berry phases, spectroscopy (UV, VIS, [[:Category:XAS\|X-ray]], [[:Category:NMR\|NMR]]), [[:Category:Phonons\|phonons]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Linear response\| Response theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Static and frequency-dependent [[:Category:Dielectric properties\|dielectric properties]], Berry phases, spectroscopy (UV, VIS, [[:Category:XAS\|X-ray]], [[:Category:NMR\|NMR]]), [[:Category:Phonons\|phonons]], etc.
	\|-		\|-
	\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Many-body perturbation theory\| Many-body perturbation theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| ACFDT, BSE, GW, MP2, cRPA.		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); --box-emph-color:var(--vblue); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Many-body perturbation theory\| Many-body perturbation theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| ACFDT, BSE, GW, MP2, cRPA.
	\|-		\|-
	<!--\| [[:Category:Defects\| Defects and doping]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Dipole corrections for defects in solids, VCA, etc.		<!--\| [[:Category:Defects\| Defects and doping]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Dipole corrections for defects in solids, VCA, etc.
Line 52:		Line 52:
	<!-- \| [[:Category:Core states\| Core states]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Frozen-core approximation, X-ray abpsorption spectra (SCH calculations), ICORELEVEL, etc.		<!-- \| [[:Category:Core states\| Core states]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Frozen-core approximation, X-ray abpsorption spectra (SCH calculations), ICORELEVEL, etc.
	\|- -->		\|- -->

← Older revision		Revision as of 11:34, 13 April 2026
Line 16:		Line 16:
	! scope="col" class="unsortable" style="padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| ''subtopics (amongst others)''		! scope="col" class="unsortable" style="padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| ''subtopics (amongst others)''
	\|-		\|-
	\|style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Theory\| Theoretical background]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| We collect '''theory pages''' from all the different areas VASP offers functionalities. These can also be found in the corresponding category of the topic. For instance, the article on the [[Blocked-Davidson algorithm]] is also linked from the [[electronic minimization]] page.		\| class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Theory\| Theoretical background]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| We collect '''theory pages''' from all the different areas VASP offers functionalities. These can also be found in the corresponding category of the topic. For instance, the article on the [[Blocked-Davidson algorithm]] is also linked from the [[electronic minimization]] page.
	\|-		\|-
	\|style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Calculation setup\| Calculation setup]] \|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| The '''computational setup''' considers the [[installation]], the input and output [[files]], [[performance]], etc. To learn how to set up your calculation, it is probably best to look for a [[:Category:Howto\|how-to page]], e.g., [[setting up an electronic minimization]], [[band-structure calculation using hybrid functionals]], [[constructing Wannier orbitals]], [[structure optimization]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vpurple-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Calculation setup\| Calculation setup]] \|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)" \| The '''computational setup''' considers the [[installation]], the input and output [[files]], [[performance]], etc. To learn how to set up your calculation, it is probably best to look for a [[:Category:Howto\|how-to page]], e.g., [[setting up an electronic minimization]], [[band-structure calculation using hybrid functionals]], [[constructing Wannier orbitals]], [[structure optimization]], etc.
	\|-		\|-
	\|style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\|[[:Category:Electronic minimization\| Electronic minimization]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| '''Electronic minimization''' is the central task in many calculations. Here, you find pages describing the [[self-consistency cycle]], different algorithms, e.g., [[blocked-Davidson algorithm]], [[RMM-DIIS]], [[direct optimization of the orbitals]], and related topics like [[preconditioning]], [[density mixing]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\|[[:Category:Electronic minimization\| Electronic minimization]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| '''Electronic minimization''' is the central task in many calculations. Here, you find pages describing the [[self-consistency cycle]], different algorithms, e.g., [[blocked-Davidson algorithm]], [[RMM-DIIS]], [[direct optimization of the orbitals]], and related topics like [[preconditioning]], [[density mixing]], etc.
	\|-		\|-
	\|style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electronic ground-state properties\| Electronic ground-state properties]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Band structure\|Band structure]], [[:Category:Density of states \|density of states]], partial DOS and on-site charge and magnetization ({{TAG\|LORBIT}}), [[:Category:Electrostatics \|electrostatics]], [[:Category:Charge density\|charge density]], [[:Category:Potential\|potential]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electronic ground-state properties\| Electronic ground-state properties]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Band structure\|Band structure]], [[:Category:Density of states \|density of states]], partial DOS and on-site charge and magnetization ({{TAG\|LORBIT}}), [[:Category:Electrostatics \|electrostatics]], [[:Category:Charge density\|charge density]], [[:Category:Potential\|potential]], etc.
	\|-		\|-
	\|style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Magnetism\| Spin degree of freedom]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Magnetism\| Spin degree of freedom]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.
	\|-		\|-
	\|style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation functionals\|Exchange-correlation functionals]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation_functionals\|LDA]], [[:Category:Exchange-correlation_functionals\|GGA]], [[:Category:Exchange-correlation_functionals\|meta-GGA]], [[:Category:DFT+U\|DFT+U]], [[:Category:Hybrid functionals\|hybrid functionals]], [[:Category:van_der_Waals_functionals\|van der Waals functionals]].		\|class="vasp-dark-link-panel" style="background-color:var(--vred-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation functionals\|Exchange-correlation functionals]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Exchange-correlation_functionals\|LDA]], [[:Category:Exchange-correlation_functionals\|GGA]], [[:Category:Exchange-correlation_functionals\|meta-GGA]], [[:Category:DFT+U\|DFT+U]], [[:Category:Hybrid functionals\|hybrid functionals]], [[:Category:van_der_Waals_functionals\|van der Waals functionals]].
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Symmetry\| Symmetry and structure]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Crystal symmetry, [[:Category:Crystal momentum\|reciprocal space]], surfaces, pair-correlation function for liquids, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Symmetry\| Symmetry and structure]]\|\| style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Crystal symmetry, [[:Category:Crystal momentum\|reciprocal space]], surfaces, pair-correlation function for liquids, etc.
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ionic minimization\| Ionic minimization]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Structure optimization]], ionic-minimization methods, [[:Category:Forces\|forces]], [[:Category:Transition States\|transition states]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ionic minimization\| Ionic minimization]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Structure optimization]], ionic-minimization methods, [[:Category:Forces\|forces]], [[:Category:Transition States\|transition states]], etc.
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Molecular dynamics\| Molecular dynamics]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Barostats, [[:Category:Thermostats\|thermostats]], [[:Category:Ensembles\|ensembles]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Molecular dynamics\| Molecular dynamics]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Barostats, [[:Category:Thermostats\|thermostats]], [[:Category:Ensembles\|ensembles]], etc.
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ensemble properties\| Ensemble properties]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Monitoring geometric parameters, pair-correlation function, thermal conductivity, diffusion, etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Ensemble properties\| Ensemble properties]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Monitoring geometric parameters, pair-correlation function, thermal conductivity, diffusion, etc.
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Advanced molecular-dynamics sampling\| Advanced molecular-dynamics sampling]] \|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Interface pinning]], [[constrained molecular dynamics]], [[metadynamics]], [[thermodynamic integration]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Advanced molecular-dynamics sampling\| Advanced molecular-dynamics sampling]] \|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Interface pinning]], [[constrained molecular dynamics]], [[metadynamics]], [[thermodynamic integration]], etc.
	\|-		\|-
	\|style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Machine-learned force fields\| Machine-learned force fields]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Training and application of force fields.		\|class="vasp-dark-link-panel" style="background-color:var(--vcyan-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Machine-learned force fields\| Machine-learned force fields]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Training and application of force fields.
	\|-		\|-
	\|style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Phonons\| Phonons]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Lattice vibrations, [[Phonons_from_finite_differences \| finite differences]], [[Computing_the_phonon_dispersion_and_DOS \| phonon dispersion relation]].		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Phonons\| Phonons]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Lattice vibrations, [[Phonons_from_finite_differences \| finite differences]], [[Computing_the_phonon_dispersion_and_DOS \| phonon dispersion relation]].
	\|-		\|-
	\|style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electron-phonon_interactions \| Electron-phonon interactions]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Bandgap_renormalization_due_to_electron-phonon_coupling \| Band-structure renormalization]], [[Transport_coefficients_including_electron-phonon_scattering \| transport]], [[Electron-phonon_interactions_from_Monte-Carlo_sampling \|stochastic sampling]].		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Electron-phonon_interactions \| Electron-phonon interactions]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[Bandgap_renormalization_due_to_electron-phonon_coupling \| Band-structure renormalization]], [[Transport_coefficients_including_electron-phonon_scattering \| transport]], [[Electron-phonon_interactions_from_Monte-Carlo_sampling \|stochastic sampling]].
	\|-		\|-
	\|style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Linear response\| Response theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Static and frequency-dependent [[:Category:Dielectric properties\|dielectric properties]], Berry phases, spectroscopy (UV, VIS, [[:Category:XAS\|X-ray]], [[:Category:NMR\|NMR]]), [[:Category:Phonons\|phonons]], etc.		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Linear response\| Response theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Static and frequency-dependent [[:Category:Dielectric properties\|dielectric properties]], Berry phases, spectroscopy (UV, VIS, [[:Category:XAS\|X-ray]], [[:Category:NMR\|NMR]]), [[:Category:Phonons\|phonons]], etc.
	\|-		\|-
	\|style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Many-body perturbation theory\| Many-body perturbation theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| ACFDT, BSE, GW, MP2, cRPA.		\|class="vasp-dark-link-panel" style="background-color:var(--vblue-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| [[:Category:Many-body perturbation theory\| Many-body perturbation theory]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| ACFDT, BSE, GW, MP2, cRPA.
	\|-		\|-
	<!--\| [[:Category:Defects\| Defects and doping]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Dipole corrections for defects in solids, VCA, etc.		<!--\| [[:Category:Defects\| Defects and doping]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Dipole corrections for defects in solids, VCA, etc.
Line 52:		Line 52:
	<!-- \| [[:Category:Core states\| Core states]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Frozen-core approximation, X-ray abpsorption spectra (SCH calculations), ICORELEVEL, etc.		<!-- \| [[:Category:Core states\| Core states]]\|\|style="background: var(--vdefault-bg); padding:5px; border-style: solid; border-width: 15px; border-color: var(--vdefault-bg)"\| Frozen-core approximation, X-ray abpsorption spectra (SCH calculations), ICORELEVEL, etc.
	\|- -->		\|- -->