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* <nowiki>{{Tutorial|key}} - if no custom text is included, then the title of the tutorial is written instead.</nowiki>
* <nowiki>{{Tutorial|key}} - if no custom text is included, then the title of the tutorial is written instead.</nowiki>
</noinclude>{{#switch: {{lc:{{{1|}}}}}
</noinclude>{{#switch: {{lc:{{{1|}}}}}
| tutorials:home = [https://www.vasp.at/tutorials/latest {{{2|Tutorials home}}}]
  | get:started = [https://www.vasp.at/tutorials/latest/ {{{2|Getting started}}}]
  | get:started = [https://www.vasp.at/tutorials/latest/ {{{2|Getting started}}}]
  | atoms:molecules = [https://www.vasp.at/tutorials/latest/molecules/ {{{2|Atoms and molecules}}}]
  | atoms:molecules = [https://www.vasp.at/tutorials/latest/molecules/ {{{2|Atoms and molecules}}}]
  | atoms:molecules:part1 = [https://www.vasp.at/tutorials/latest/molecules/part1/ {{{2|Atoms and molecules - Part 1: Introduction to VASP}}}]
  | atoms:molecules:part1 = [https://www.vasp.at/tutorials/latest/molecules/part1/ {{{2|Atoms and molecules - Part 1: Introduction to VASP}}}]
  | atoms:molecules:e01 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e01/ {{{2|Atoms and molecules - 1 Isolated oxygen atom}}}]
  | atoms:molecules:e01 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e01 {{{2|Atoms and molecules - 1 Isolated oxygen atom}}}]
  | atoms:molecules:e02 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e02/ {{{2|Atoms and molecules - 2 Spin-polarized oxygen atom}}}]
  | atoms:molecules:e02 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e02 {{{2|Atoms and molecules - 2 Spin-polarized oxygen atom}}}]
  | atoms:molecules:e03 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e03/ {{{2|Atoms and molecules - 3 Spin-polarized oxygen atom with low symmetry}}}]
  | atoms:molecules:e03 = [https://www.vasp.at/tutorials/latest/molecules/part1/#e03 {{{2|Atoms and molecules - 3 Spin-polarized oxygen atom with low symmetry}}}]
  | atoms:molecules:part2 = [https://www.vasp.at/tutorials/latest/molecules/part2/ {{{2|Atoms and molecules - Part 2: Molecules in VASP}}}]
  | atoms:molecules:part2 = [https://www.vasp.at/tutorials/latest/molecules/part2/ {{{2|Atoms and molecules - Part 2: Molecules in VASP}}}]
  | atoms:molecules:e04 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e04/ {{{2|Atoms and molecules - 4 Bond length of the O2 molecule}}}]
  | atoms:molecules:e04 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e04 {{{2|Atoms and molecules - 4 Bond length of the O2 molecule}}}]
  | atoms:molecules:e05 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e05/ {{{2|Atoms and molecules - 5 Bond length of carbon monoxide}}}]
  | atoms:molecules:e05 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e05 {{{2|Atoms and molecules - 5 Bond length of carbon monoxide}}}]
  | atoms:molecules:e06 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e06/ {{{2|Atoms and molecules - 6 Carbon monoxide vibration}}}]
  | atoms:molecules:e06 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e06 {{{2|Atoms and molecules - 6 Carbon monoxide vibration}}}]
  | atoms:molecules:e07 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e07/ {{{2|Atoms and molecules - 7 Partial density of states of the CO molecule}}}]
  | atoms:molecules:e07 = [https://www.vasp.at/tutorials/latest/molecules/part2/#molecules-e07 {{{2|Atoms and molecules - 7 Partial density of states of the CO molecule}}}]
  | atoms:molecules:part3 = [https://www.vasp.at/tutorials/latest/molecules/part3/ {{{2|Atoms and molecules - Part 3: Water}}}]
  | atoms:molecules:part3 = [https://www.vasp.at/tutorials/latest/molecules/part3/ {{{2|Atoms and molecules - Part 3: Water}}}]
  | atoms:molecules:e08 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e08/ {{{2|Atoms and molecules - 8 Bond length in H2O}}}]
  | atoms:molecules:e08 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e08 {{{2|Atoms and molecules - 8 Bond length in H2O}}}]
  | atoms:molecules:e09 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e09/ {{{2|Atoms and molecules - 9 Energy cutoff for H2O}}}]
  | atoms:molecules:e09 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e09 {{{2|Atoms and molecules - 9 Energy cutoff for H2O}}}]
  | atoms:molecules:e10 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e10/ {{{2|Atoms and molecules - 10 H2O vibration frequency}}}]
  | atoms:molecules:e10 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e10 {{{2|Atoms and molecules - 10 H2O vibration frequency}}}]
  | atoms:molecules:e11 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e11/ {{{2|Atoms and molecules - 11 H2O pair-correlation function}}}]
  | atoms:molecules:e11 = [https://www.vasp.at/tutorials/latest/molecules/part3/#molecules-e11 {{{2|Atoms and molecules - 11 H2O pair-correlation function}}}]
 
  | bulk = [https://www.vasp.at/tutorials/latest/bulk/ {{{2|Bulk}}}]
  | bulk = [https://www.vasp.at/tutorials/latest/bulk/ {{{2|Bulk}}}]
  | bulk:part1 = [https://www.vasp.at/tutorials/latest/bulk/part1/ {{{2|Bulk - Part 1: Silicon as a typical bulk material}}}]
  | bulk:part1 = [https://www.vasp.at/tutorials/latest/bulk/part1/ {{{2|Bulk - Part 1: Silicon as a typical bulk material}}}]
  | bulk:e01 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e01/ {{{2|Atoms and molecules - 1 Lattice constant for face-centered-cubic silicon}}}]
  | bulk:e01 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e01 {{{2|Bulk - 1 Lattice constant for face-centered-cubic silicon}}}]
  | bulk:e02 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e02/ {{{2|Atoms and molecules - 2 Density of states for face-centered-cubic silicon}}}]
  | bulk:e02 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e02 {{{2|Bulk - 2 Density of states for face-centered-cubic silicon}}}]
  | bulk:e03 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e03/ {{{2|Atoms and molecules - 3 Band structure for face-centered-cubic silicon}}}]
  | bulk:e03 = [https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e03 {{{2|Bulk - 3 Band structure for face-centered-cubic silicon}}}]
  | bulk:part2 = [https://www.vasp.at/tutorials/latest/bulk/part2/ {{{2|Bulk - Part 2: More silicon}}}]
  | bulk:part2 = [https://www.vasp.at/tutorials/latest/bulk/part2/ {{{2|Bulk - Part 2: More silicon}}}]
  | bulk:e04 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e04/ {{{2|Atoms and molecules - 4 Lattice constant, density of states and band structure for cubic-diamond silicon}}}]
  | bulk:e04 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e04 {{{2|Bulk - 4 Lattice constant, density of states and band structure for cubic-diamond silicon}}}]
  | bulk:e05 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e05/ {{{2|Atoms and molecules - 5 Volume and cell shape for cubic-diamond silicon}}}]
  | bulk:e05 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e05 {{{2|Bulk - 5 Volume and cell shape for cubic-diamond silicon}}}]
  | bulk:e06 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e06/ {{{2|Atoms and molecules - 6 Internal coordinates for cubic-diamond silicon}}}]
  | bulk:e06 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e06 {{{2|Bulk - 6 Internal coordinates for cubic-diamond silicon}}}]
  | bulk:e07 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e07/ {{{2|Atoms and molecules - 7 beta-tin structure of silicon}}}]
  | bulk:e07 = [https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e07 {{{2|Bulk - 7 beta-tin structure of silicon}}}]
  | bulk:part3 = [https://www.vasp.at/tutorials/latest/bulk/part3/ {{{2|Bulk - Part 3: Spin-polarized bulk systems}}}]
  | bulk:part3 = [https://www.vasp.at/tutorials/latest/bulk/part3/ {{{2|Bulk - Part 3: Spin-polarized bulk systems}}}]
  | bulk:e08 = [https://www.vasp.at/tutorials/latest/bulk/part3/#bulk-e08/ {{{2|Atoms and molecules - 8 Spin-polarized face-centered-cubic nickel}}}]
  | bulk:e08 = [https://www.vasp.at/tutorials/latest/bulk/part3/#bulk-e08 {{{2|Bulk - 8 Spin-polarized face-centered-cubic nickel}}}]
  | bulk:e09 = [https://www.vasp.at/tutorials/latest/bulk/part3/#bulk-e09/ {{{2|Atoms and molecules - 9 Bandgap and magnetic moment of nickel monoxide}}}]
  | bulk:e09 = [https://www.vasp.at/tutorials/latest/bulk/part3/#bulk-e09 {{{2|Bulk - 9 Bandgap and magnetic moment of nickel monoxide}}}]
  | bulk:part4 = [https://www.vasp.at/tutorials/latest/bulk/part4/ {{{2|Bulk - Part 4: Van der Waals forces}}}]
  | bulk:part4 = [https://www.vasp.at/tutorials/latest/bulk/part4/ {{{2|Bulk - Part 4: Van der Waals forces}}}]
  | bulk:e10 = [https://www.vasp.at/tutorials/latest/bulk/part4/#bulk-e10/ {{{2|Atoms and molecules - 10 Interlayer binding in graphite using the Tkatchenko-Scheffler method}}}]
  | bulk:e10 = [https://www.vasp.at/tutorials/latest/bulk/part4/#bulk-e10 {{{2|Bulk - 10 Interlayer binding in graphite using the Tkatchenko-Scheffler method}}}]
  | bulk:e11 = [https://www.vasp.at/tutorials/latest/bulk/part4/#bulk-e11/ {{{2|Atoms and molecules - 11 Interlayer distance in graphite}}}]
  | bulk:e11 = [https://www.vasp.at/tutorials/latest/bulk/part4/#bulk-e11 {{{2|Bulk - 11 Interlayer distance in graphite}}}]
 
  | magnetism = [https://www.vasp.at/tutorials/latest/magnetism/ {{{2|Magnetism}}}]
  | magnetism = [https://www.vasp.at/tutorials/latest/magnetism/ {{{2|Magnetism}}}]
  | magnetism:part1 = [https://www.vasp.at/tutorials/latest/magnetism/part1/ {{{2|Magnetism - Part 1: Spin‑polarized calculations}}}]
  | magnetism:part1 = [https://www.vasp.at/tutorials/latest/magnetism/part1/ {{{2|Magnetism - Part 1: Spin‑polarized calculations}}}]
  | magnetism:e01 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e01/ {{{2|Spin‑polarized calculations - 1 Density of states and band structure for ferromagnetic HCP Co}}}]
  | magnetism:e01 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e01 {{{2|Magnetism - 1 Density of states and band structure for ferromagnetic HCP Co}}}]
  | magnetism:e02 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e02/ {{{2|Spin‑polarized calculations - 2 Magnetic unit cell of AFM BCC Cr}}}]
  | magnetism:e02 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e02 {{{2|Magnetism - 2 Magnetic unit cell of AFM BCC Cr}}}]
  | magnetism:e03 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e03/ {{{2|Spin‑polarized calculations - 3 DOS of E<sub>g</sub> and t<sub>2g</sub> orbitals in AFM NiO}}}]
  | magnetism:e03 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e03 {{{2|Magnetism - 3 DOS of E<sub>g</sub> and t<sub>2g</sub> orbitals in AFM NiO}}}]
  | magnetism:e04 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e04/ {{{2|Spin‑polarized calculations - 4 Including on‑site Coulomb interaction and pseudopotential selection for NiO relaxation}}}]
  | magnetism:e04 = [https://www.vasp.at/tutorials/latest/magnetism/part1/#mag-e04 {{{2|Magnetism - 4 Including on‑site Coulomb interaction and pseudopotential selection for NiO relaxation}}}]
  | magnetism:part2 = [https://www.vasp.at/tutorials/latest/magnetism/part2/ {{{2|Magnetism - Part 2: Energy differences comparing collinear magnetic structures}}}]
  | magnetism:part2 = [https://www.vasp.at/tutorials/latest/magnetism/part2/ {{{2|Magnetism - Part 2: Energy differences comparing collinear magnetic structures}}}]
  | magnetism:e05 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e05/ {{{2|Energy differences comparing collinear magnetic structures - 5 Heisenberg model for NiO using DFT+U}}}]
  | magnetism:e05 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e05 {{{2|Magnetism - 5 Heisenberg model for NiO using DFT+U}}}]
  | magnetism:e06 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e06/ {{{2|Energy differences comparing collinear magnetic structures - 6 Breaking space‑group symmetry by introducing spin‑orbit coupling for BCC Fe bulk}}}]
  | magnetism:e06 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e06 {{{2|Magnetism - 6 Breaking space‑group symmetry by introducing spin‑orbit coupling for BCC Fe bulk}}}]
  | magnetism:e07 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e07/ {{{2|Energy differences comparing collinear magnetic structures - 7 Magnetic anisotropy in FeO}}}] | md = [https://www.vasp.at/tutorials/latest/md/ {{{2|Bulk}}}]
  | magnetism:e07 = [https://www.vasp.at/tutorials/latest/magnetism/part2/#mag-e07 {{{2|Magnetism - 7 Magnetic anisotropy in FeO}}}]  
  | md:part1 = [https://www.vasp.at/tutorials/latest/md/part1/ {{{2|Molecular dynamics - Part 1: Melting silicon}}}]
 
  | md:part2 = [https://www.vasp.at/tutorials/latest/md/part2/ {{{2|Molecular dynamics - Part 2: Machine learning force fields}}}]
| md = [https://www.vasp.at/tutorials/latest/md {{{2|Molecular dynamics}}}]
  | md:part3 = [https://www.vasp.at/tutorials/latest/md/part3/ {{{2|Molecular dynamics - Part 3: Substitution reaction of chloromethane by a chloride ion}}}]
| md:part1 = [https://www.vasp.at/tutorials/latest/md/part1 {{{2|Molecular dynamics - Part 1: Melting silicon}}}]
  | mlff = [https://www.vasp.at/tutorials/latest/mlff/ {{{2|Machine-learned force fields}}}]
  | md:e01 = [https://www.vasp.at/tutorials/latest/md/part1/#MD-e01 {{{2|Molecular dynamics - 1 Solid cubic‑diamond silicon}}}]
  | mlff:part1 = [https://www.vasp.at/tutorials/latest/mlff/part1/ {{{2|Machine-learned force fields - Part 1: Error analysis and hyperparameter optimization of machine-learned force fields}}}]
| md:e02 = [https://www.vasp.at/tutorials/latest/md/part1/#MD-e02 {{{2|Molecular dynamics - 2 Melting silicon}}}]
  | surface = [https://www.vasp.at/tutorials/latest/surface/ {{{2|Surfaces}}}]
  | md:e03 = [https://www.vasp.at/tutorials/latest/md/part1/#MD-e03 {{{2|Molecular dynamics - 3 Monitoring molecular geometry}}}]
  | surface:part1 = [https://www.vasp.at/tutorials/latest/surface/part1/ {{{2|Surfaces - Part 1: A nickel surface}}}]
| md:part2 = [https://www.vasp.at/tutorials/latest/md/part2 {{{2|Molecular dynamics - Part 2: Machine learning force fields}}}]
  | surface:part2 = [https://www.vasp.at/tutorials/latest/surface/part2/ {{{2|Surfaces - Part 2: A CO molecule adsorbed on a nickel surface}}}]
| md:e04 = [https://www.vasp.at/tutorials/latest/md/part2/#MD-e04 {{{2|Molecular dynamics - 4 Machine learning force fields}}}]
  | surface:part3 = [https://www.vasp.at/tutorials/latest/surface/part3/ {{{2|Surfaces - Part 3: STM simulations}}}]
| md:e05 = [https://www.vasp.at/tutorials/latest/md/part2/#MD-e05 {{{2|Molecular dynamics - 5 Testing force fields with ionic relaxation}}}]
  | ts = [https://www.vasp.at/tutorials/latest/transition_states/ {{{2|Transition states}}}]
| md:e06 = [https://www.vasp.at/tutorials/latest/md/part2/#MD-e06 {{{2|Molecular dynamics - 6 Lattice constant and cell volume as ensemble averages}}}]
  | ts:part1 = [https://www.vasp.at/tutorials/latest/transition_states/part1/ {{{2|Transition states - Part 1: Basic transition states}}}]
| md:e07 = [https://www.vasp.at/tutorials/latest/md/part2/#MD-e07 {{{2|Molecular dynamics - 7 Transferability of machine-learned force fields and thermal expansion coefficient}}}]
  | ts:part2 = [https://www.vasp.at/tutorials/latest/transition_states/part2/ {{{2|Transition states - Part 2: Static approaches}}}]
  | md:part3 = [https://www.vasp.at/tutorials/latest/md/part3 {{{2|Molecular dynamics - Part 3: Substitution reaction of chloromethane by a chloride ion}}}]
  | ts:part3 = [https://www.vasp.at/tutorials/latest/transition_states/part3/ {{{2|Transition states - Part 3: Dynamic approaches}}}]
| md:e08 = [https://www.vasp.at/tutorials/latest/md/part3/#MD-e08 {{{2|Molecular dynamics - 8 Slow-growth simulation of the free-energy profile}}}]
  | hybrids = [https://www.vasp.at/tutorials/latest/hybrids/ {{{2|Hybrid functionals}}}]
| md:e09 = [https://www.vasp.at/tutorials/latest/md/part3/#MD-e09 {{{2|Molecular dynamics - 9 Probability distribution of the reactant state}}}]
  | hybrids:part1 = [https://www.vasp.at/tutorials/latest/hybrids/part1/ {{{2|Hybrid functionals - Part 1: An overview of available functionals}}}]
| md:e10 = [https://www.vasp.at/tutorials/latest/md/part3/#MD-e10 {{{2|Molecular dynamics - 10 Average velocity at the transition state}}}]
 
  | mlff = [https://www.vasp.at/tutorials/latest/mlff {{{2|Machine-learned force fields}}}]
  | mlff:part1 = [https://www.vasp.at/tutorials/latest/mlff/part1 {{{2|MLFF - Part 1: Error analysis and hyperparameter optimization of machine-learned force fields}}}]
| mlff:e01 = [https://www.vasp.at/tutorials/latest/mlff/part1/#MLFF-e01 {{{2|Machine-learned force fields - 1 Training-set and test-set error analysis}}}]
| mlff:e02 = [https://www.vasp.at/tutorials/latest/mlff/part1/#MLFF-e02 {{{2|Machine-learned force fields - 2 Optimize the accuracy by hyperparameter tuning}}}]
| mlff:e03 = [https://www.vasp.at/tutorials/latest/mlff/part1/#MLFF-e03 {{{2|Machine-learned force fields - 3 Timing and optimization of MLFF performance}}}]
| mlff:e04 = [https://www.vasp.at/tutorials/latest/mlff/part1/#MLFF-e04 {{{2|Machine-learned force fields - 4 Using the optimized MLFF model for production runs}}}]
 
| surface = [https://www.vasp.at/tutorials/latest/surface {{{2|Surfaces}}}]
  | surface:part1 = [https://www.vasp.at/tutorials/latest/surface/part1 {{{2|Surfaces - Part 1: A nickel surface}}}]
  | surface:e01 = [https://www.vasp.at/tutorials/latest/surface/part1/#surface-e01 {{{2|Surfaces - 1 Relaxation energy of nickel (100) surface}}}]
| surface:e02 = [https://www.vasp.at/tutorials/latest/surface/part1/#surface-e02 {{{2|Surfaces - 2 Local density of states of nickel (100) surface}}}]
| surface:e03 = [https://www.vasp.at/tutorials/latest/surface/part1/#surface-e03 {{{2|Surfaces - 3 Band structure of nickel (100) surface}}}]
| surface:e04 = [https://www.vasp.at/tutorials/latest/surface/part1/#surface-e04 {{{2|Surfaces - 4 Relaxation of nickel (111) surface}}}]
  | surface:part2 = [https://www.vasp.at/tutorials/latest/surface/part2 {{{2|Surfaces - Part 2: A CO molecule adsorbed on a nickel surface}}}]
| surface:e05 = [https://www.vasp.at/tutorials/latest/surface/part2/#surface-e05 {{{2|Surfaces - 5 CO on Ni (111) surface relaxation}}}]
| surface:e06 = [https://www.vasp.at/tutorials/latest/surface/part2/#surface-e06 {{{2|Surfaces - 6 Adsorption energy and work function of CO on Ni (111)}}}]
| surface:e07 = [https://www.vasp.at/tutorials/latest/surface/part2/#surface-e07 {{{2|Surfaces - 7 Partial DOS of CO on Ni (111)}}}]
| surface:e08 = [https://www.vasp.at/tutorials/latest/surface/part2/#surface-e08 {{{2|Surfaces - 8 Vibrational frequencies of CO on Ni (111)}}}]
  | surface:part3 = [https://www.vasp.at/tutorials/latest/surface/part3 {{{2|Surfaces - Part 3: STM simulations}}}]
| surface:e09 = [https://www.vasp.at/tutorials/latest/surface/part3/#surface-e09 {{{2|Surfaces - 9 Constant height STM simulation of a graphite 0001 surface}}}]
| surface:e10 = [https://www.vasp.at/tutorials/latest/surface/part3/#surface-e10 {{{2|Surfaces - 10 Constant current STM simulation of graphene}}}]
 
| transition_states = [https://www.vasp.at/tutorials/latest/transition_states/ {{{2|Transition States}}}]
  | transition_states:part1 = [https://www.vasp.at/tutorials/latest/transition_states/part1 {{{2|Transition States - Part 1: Basic transition states}}}]
  | transition_states:e01 = [https://www.vasp.at/tutorials/latest/transition_states/part1/#transition_states-e01 {{{2|Transition States - 1 Reaction path with nudged elastic band}}}]
| transition_states:e02 = [https://www.vasp.at/tutorials/latest/transition_states/part1/#transition_states-e02 {{{2|Transition States - 2 Improved dimer method}}}]
| transition_states:e03 = [https://www.vasp.at/tutorials/latest/transition_states/part1/#transition_states-e03 {{{2|Transition States - 3 H2/Cu(111) elbow plot}}}]
| transition_states:e04 = [https://www.vasp.at/tutorials/latest/transition_states/part1/#transition_states-e04 {{{2|Transition States - 4 Intrinsic reaction coordinates: SN2}}}]
| transition_states:part2 = [https://www.vasp.at/tutorials/latest/transition_states/part2 {{{2|Transition States - Part 2: Static approaches}}}]
| transition_states:e05 = [https://www.vasp.at/tutorials/latest/transition_states/part2/#transition_states-e05 {{{2|Transition States - 5 Vibrational analysis}}}]
| transition_states:e06 = [https://www.vasp.at/tutorials/latest/transition_states/part2/#transition_states-e06 {{{2|Transition States - 6 Optimizing transition state}}}]
  | transition_states:e07 = [https://www.vasp.at/tutorials/latest/transition_states/part2/#transition_states-e07 {{{2|Transition States - 7 Saddle point}}}]
| transition_states:e08 = [https://www.vasp.at/tutorials/latest/transition_states/part2/#transition_states-e08 {{{2|Transition States - 8 Reaction pathway}}}]
| transition_states:e09 = [https://www.vasp.at/tutorials/latest/transition_states/part2/#transition_states-e09 {{{2|Transition States - 9 Reaction thermodynamics - static}}}]
| transition_states:part3 = [https://www.vasp.at/tutorials/latest/transition_states/part3 {{{2|Transition States - Part 3: Dynamic approaches}}}]
  | transition_states:e10 = [https://www.vasp.at/tutorials/latest/transition_states/part3/#transition_states-e10 {{{2|Transition States - 10 Defining the reaction coordinate}}}]
| transition_states:e11 = [https://www.vasp.at/tutorials/latest/transition_states/part3/#transition_states-e11 {{{2|Transition States - 11 Validation of the reaction coordinate}}}]
| transition_states:e12 = [https://www.vasp.at/tutorials/latest/transition_states/part3/#transition_states-e12 {{{2|Transition States - 12 Reaction thermodynamics - dynamic}}}]  
 
  | hybrids = [https://www.vasp.at/tutorials/latest/hybrids/ {{{2|Hybrids (Hybrid functionals)}}}]
  | hybrids:part1 = [https://www.vasp.at/tutorials/latest/hybrids/part1 {{{2|Hybrids - Part 1: An overview of available functionals}}}]
| hybrids:e01 = [https://www.vasp.at/tutorials/latest/hybrids/part1/#hybrids-e01 {{{2|Hybrids - 1 Band gap of Si with the Perdew‑Burke‑Ernzerhof (PBE) and PBE0 functionals}}}]
| hybrids:e02 = [https://www.vasp.at/tutorials/latest/hybrids/part1/#hybrids-e02 {{{2|Hybrids - 2 Band gap of Ar with the PBE and B3LYP functionals and the Hartree‑Fock (HF) method}}}]
| hybrids:e03 = [https://www.vasp.at/tutorials/latest/hybrids/part1/#hybrids-e03 {{{2|Hybrids - 3 Band‑gap optimization for MgO for screened hybrid functionals}}}]
| hybrids:e04 = [https://www.vasp.at/tutorials/latest/hybrids/part1/#hybrids-e04 {{{2|Hybrids - 4 Band structure of CaS with the PBE and HSE06 functionals}}}]
 
  | response = [https://www.vasp.at/tutorials/latest/response/ {{{2|Linear response}}}]
  | response = [https://www.vasp.at/tutorials/latest/response/ {{{2|Linear response}}}]
  | response:part1 = [https://www.vasp.at/tutorials/latest/response/part1/ {{{2|Linear response - Part 1}}}]
  | response:part1 = [https://www.vasp.at/tutorials/latest/response/part1 {{{2|Linear Response - Part 1: Static and frequency-dependent response}}}]
  | gw = [https://www.vasp.at/tutorials/latest/gw/ {{{2|GW approximation}}}]
| response:e01 = [https://www.vasp.at/tutorials/latest/response/part1/#response-e01 {{{2|Linear Response - 1 Static response with finite differences}}}]
  | gw:part1 = [https://www.vasp.at/tutorials/latest/gw/part1/ {{{2|GW approximation - Part 1: Introduction}}}]
| response:e02 = [https://www.vasp.at/tutorials/latest/response/part1/#response-e02 {{{2|Linear Response - 2 Static dielectric response within density-functional-perturbation theory}}}]
  | bse = [https://www.vasp.at/tutorials/latest/bse/ {{{2|Bethe-Salpeter Equation}}}]
| response:e03 = [https://www.vasp.at/tutorials/latest/response/part1/#response-e03 {{{2|Linear Response - 3 Frequency-dependent dielectric response}}}]
  | bse:part1 = [https://www.vasp.at/tutorials/latest/bse/part1/ {{{2|Bethe-Salpeter Equation - Part 1: Optical absorption of diamond carbon}}}]
 
  | bse:part2 = [https://www.vasp.at/tutorials/latest/bse/part2/ {{{2|Bethe-Salpeter Equation - Part 2: Optical absorption of LiF}}}]
  | gw = [https://www.vasp.at/tutorials/latest/gw/ {{{2|GW approximation)}}}]
  | bse:part3 = [https://www.vasp.at/tutorials/latest/bse/part3/ {{{2|Bethe-Salpeter Equation - Part 3: Efficient Brillouin zone sampling and analysis of the excitons}}}]
| gw:part1 = [https://www.vasp.at/tutorials/latest/gw/part1 {{{2|GW - Part 1: Introduction}}}]
  | xas = [https://www.vasp.at/tutorials/latest/xas/ {{{2|X-ray absorption spectroscopy}}}]
  | gw:e00 = [https://www.vasp.at/tutorials/latest/gw/part1/#GW-e00 {{{2|GW approximation - 0 A short introduction to GW}}}]
  | xas:part1 = [https://www.vasp.at/tutorials/latest/xas/part1/ {{{2|X-ray absorption spectroscopy - Part 1: X-ray absorption spectrum of LiCl}}}]
| gw:e01 = [https://www.vasp.at/tutorials/latest/gw/part1/#GW-e01 {{{2|GW approximation - 1 Band gap of Si within the G₀W₀ approximation}}}]
  | xas:part2 = [https://www.vasp.at/tutorials/latest/xas/part2/ {{{2|X-ray absorption spectroscopy - Part 2: XAS K-edge of LiCl via Bethe-Salpeter equation}}}]
| gw:e02 = [https://www.vasp.at/tutorials/latest/gw/part1/#GW-e02 {{{2|GW approximation - 2 GW₀ band structure using Wannier90 for Si}}}]
  | nmr = [https://www.vasp.at/tutorials/latest/nmr/ {{{2|Nuclear magnetic resonance}}}]
 
  | nmr:part1 = [https://www.vasp.at/tutorials/latest/nmr/part1/ {{{2|Nuclear magnetic resonance - Part 1: NMR - chemical shielding}}}]
| bse = [https://www.vasp.at/tutorials/latest/bse/ {{{2|BSE (Bethe‑Salpeter equation)}}}]
  | nmr:part2 = [https://www.vasp.at/tutorials/latest/nmr/part2/ {{{2|Nuclear magnetic resonance - Part 2: Coupling constants and two-center corrections}}}]
  | bse:part1 = [https://www.vasp.at/tutorials/latest/bse/part1 {{{2|BSE - Part 1: BSE fundamentals and simple optical spectra}}}]
  | nmr:part3 = [https://www.vasp.at/tutorials/latest/nmr/part3/ {{{2|Nuclear magnetic resonance - Part 3: Aromaticity}}}]
  | bse:e00 = [https://www.vasp.at/tutorials/latest/bse/part1/#BSE-e00 {{{2|BSE - 0 Bethe‑Salpeter‑equation formalism}}}]
| bse:e01 = [https://www.vasp.at/tutorials/latest/bse/part1/#BSE-e01 {{{2|BSE - 1 Preparatory ground‑state G₀W₀ calculation}}}]
| bse:e02 = [https://www.vasp.at/tutorials/latest/bse/part1/#BSE-e02 {{{2|BSE - 2 Optical absorption in BSE}}}]
| bse:e03 = [https://www.vasp.at/tutorials/latest/bse/part1/#BSE-e03 {{{2|BSE - 3 Optical absorption of diamond through TDDDH}}}]
  | bse:part2 = [https://www.vasp.at/tutorials/latest/bse/part2 {{{2|BSE - Part 2: Optical absorption across different approximations}}}]
| bse:e04 = [https://www.vasp.at/tutorials/latest/bse/part2/#BSE-e04 {{{2|BSE - 4 Preparatory ground‑state calculation G₀W₀}}}]
| bse:e05 = [https://www.vasp.at/tutorials/latest/bse/part2/#BSE-e05 {{{2|BSE - 5 Optical absorption in the independent particle approximation (BSE‑IP)}}}]
| bse:e06 = [https://www.vasp.at/tutorials/latest/bse/part2/#BSE-e06 {{{2|BSE - 6 Optical absorption in BSE‑RPA}}}]
| bse:e07 = [https://www.vasp.at/tutorials/latest/bse/part2/#BSE-e07 {{{2|BSE - 7 Optical absorption in BSE‑TDA}}}]
| bse:e08 = [https://www.vasp.at/tutorials/latest/bse/part2/#BSE-e08 {{{2|BSE - 8 Optical absorption in BSE beyond TDA}}}]
  | bse:part3 = [https://www.vasp.at/tutorials/latest/bse/part3 {{{2|BSE - Part 3: Advanced techniques}}}]
| bse:e09 = [https://www.vasp.at/tutorials/latest/bse/part3/#BSE-e09 {{{2|BSE - 9 Efficient Brillouin zone sampling}}}]
| bse:e10 = [https://www.vasp.at/tutorials/latest/bse/part3/#BSE-e10 {{{2|BSE - 10 Exciton analysis}}}]
 
  | xas = [https://www.vasp.at/tutorials/latest/xas/ {{{2|X-ray absorption spectroscopy (XAS)}}}]
  | xas:part1 = [https://www.vasp.at/tutorials/latest/xas/part1 {{{2|XAS - Part 1: X-ray absorption spectrum of LiCl}}}]
  | xas:e01 = [https://www.vasp.at/tutorials/latest/xas/part1/#XAS-e01 {{{2|XAS - 1 Supercell core-hole calculation}}}]
| xas:e02 = [https://www.vasp.at/tutorials/latest/xas/part1/#XAS-e02 {{{2|XAS - 2 Full core-hole calculation}}}]
| xas:part2 = [https://www.vasp.at/tutorials/latest/xas/part2 {{{2|XAS - Part 2: XAS K-edge of LiCl via Bethe-Salpeter equation}}}]
| xas:e03 = [https://www.vasp.at/tutorials/latest/xas/part2/#XAS-e03 {{{2|XAS - 3 Band gap of LiCl within the approximation}}}]
| xas:e04 = [https://www.vasp.at/tutorials/latest/xas/part2/#XAS-e04 {{{2|XAS - 4 X-ray absorption spectra in LiCl via BSE}}}]
 
  | nmr = [https://www.vasp.at/tutorials/latest/nmr/ {{{2|Nuclear magnetic resonance (NMR)}}}]
  | nmr:part1 = [https://www.vasp.at/tutorials/latest/nmr/part1 {{{2|NMR - Part 1: Chemical shielding}}}]
| nmr:e01 = [https://www.vasp.at/tutorials/latest/nmr/part1/#NMR-e01 {{{2|NMR - 1 Converging chemical shielding in diamond}}}]
| nmr:e02 = [https://www.vasp.at/tutorials/latest/nmr/part1/#NMR-e02 {{{2|NMR - 2 Mapping the induced current}}}]
| nmr:e03 = [https://www.vasp.at/tutorials/latest/nmr/part1/#NMR-e03 {{{2|NMR - 3 Comparing to experimental chemical shifts}}}]
| nmr:e04 = [https://www.vasp.at/tutorials/latest/nmr/part1/#NMR-e04 {{{2|NMR - 4 Predicting experiment from theory}}}]
  | nmr:part2 = [https://www.vasp.at/tutorials/latest/nmr/part2 {{{2|NMR - Part 2: Coupling constants and two-center contributions}}}]
| nmr:e05 = [https://www.vasp.at/tutorials/latest/nmr/part2/#NMR-e05 {{{2|NMR - 5 Hyperfine constant}}}]
| nmr:e06 = [https://www.vasp.at/tutorials/latest/nmr/part2/#NMR-e06 {{{2|NMR - 6 Electric field gradient}}}]
| nmr:e07 = [https://www.vasp.at/tutorials/latest/nmr/part2/#NMR-e07 {{{2|NMR - 7 Quadrupolar coupling constant}}}]
| nmr:e08 = [https://www.vasp.at/tutorials/latest/nmr/part2/#NMR-e08 {{{2|NMR - 8 Two-center shielding contributions}}}]
  | nmr:part3 = [https://www.vasp.at/tutorials/latest/nmr/part3 {{{2|NMR - Part 3: Aromaticity}}}]
| nmr:e09 = [https://www.vasp.at/tutorials/latest/nmr/part3/#NMR-e09 {{{2|NMR - 9 NICS - benzene}}}]
| nmr:e10 = [https://www.vasp.at/tutorials/latest/nmr/part3/#NMR-e10 {{{2|NMR - 10 Anti-aromatic current}}}]
| nmr:e11 = [https://www.vasp.at/tutorials/latest/nmr/part3/#NMR-e11 {{{2|NMR - 11 NICS - cyclobutadiene}}}]
 
  | phonon = [https://www.vasp.at/tutorials/latest/phonon/ {{{2|Phonons}}}]
  | phonon = [https://www.vasp.at/tutorials/latest/phonon/ {{{2|Phonons}}}]
  | phonon:part1 = [https://www.vasp.at/tutorials/latest/phonon/part1/ {{{2|Phonons - Part 1: Graphene}}}]
  | phonon:part1 = [https://www.vasp.at/tutorials/latest/phonon/part1 {{{2|Phonons - Part 1: Graphene}}}]
  | phonon:part2 = [https://www.vasp.at/tutorials/latest/phonon/part2/ {{{2|Phonons - Part 2: MgO}}}]
| phonon:e01 = [https://www.vasp.at/tutorials/latest/phonon/part1/#phonon-e01 {{{2|Phonons - 1 Static-lattice approximation}}}]
  | elph = [https://www.vasp.at/tutorials/latest/electron-phonon/ {{{2|Electron-phonon interactions}}}]
| phonon:e02 = [https://www.vasp.at/tutorials/latest/phonon/part1/#phonon-e02 {{{2|Phonons - 2 Force constants using finite differences}}}]
  | elph:part1 = [https://www.vasp.at/tutorials/latest/electron-phonon/part1/ {{{2|Electron-phonon interactions - Part 1: Bandgap renormalization from perturbation theory}}}]
| phonon:e03 = [https://www.vasp.at/tutorials/latest/phonon/part1/#phonon-e03 {{{2|Phonons - 3 Phonon dispersion}}}]
  | elph:part2 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2/ {{{2|Electron-phonon interactions - Part 2: Electron-phonon interactions from statistical sampling}}}]
| phonon:part2 = [https://www.vasp.at/tutorials/latest/phonon/part2 {{{2|Phonons - Part 2: MgO}}}]
  | elph:part3 = [https://www.vasp.at/tutorials/latest/electron-phonon/part3/ {{{2|Electron-phonon interactions - Part 3: Electron-phonon matrix elements and using VASP with phelel}}}]
| phonon:e04 = [https://www.vasp.at/tutorials/latest/phonon/part2/#phonon-e04 {{{2|Phonons - 4 Lattice parameter}}}]
  | elph:part4 = [https://www.vasp.at/tutorials/latest/electron-phonon/part4/ {{{2|Electron-phonon interactions - Part 4: Part 4: Conductivity of iron}}}]
  | phonon:e05 = [https://www.vasp.at/tutorials/latest/phonon/part2/#phonon-e05 {{{2|Phonons - 5 Force constants using finite differences}}}]
  | elph:part5 = [https://www.vasp.at/tutorials/latest/electron-phonon/part5/ {{{2|Electron-phonon interactions - Part 5: Phonon-limited mobility of semiconductors and the ZT figure of merit}}}]
| phonon:e06 = [https://www.vasp.at/tutorials/latest/phonon/part2/#phonon-e06 {{{2|Phonons - 6 Phonon dispersion and DOS}}}]
| phonon:e07 = [https://www.vasp.at/tutorials/latest/phonon/part2/#phonon-e07 {{{2|Phonons - 7 Long-range dipole-dipole interaction (LO-TO splitting)}}}]
| phonon:e08 = [https://www.vasp.at/tutorials/latest/phonon/part2/#phonon-e08 {{{2|Phonons - 8 Phonon dispersion and DOS with long-range dipole-dipole treatment (LO-TO splitting)}}}]
 
  | electron_phonon = [https://www.vasp.at/tutorials/latest/electron-phonon/ {{{2|Electron-Phonon Interactions}}}]
| electron_phonon:part1 = [https://www.vasp.at/tutorials/latest/electron-phonon/part1 {{{2|Electron-Phonon - Part 1: Bandgap renormalization}}}]
  | electron_phonon:e01 = [https://www.vasp.at/tutorials/latest/electron-phonon/part1/#electron-phonon-e01 {{{2|Electron-Phonon - 1 Temperature-dependent bandgap renormalization of diamond}}}]
| electron_phonon:e02 = [https://www.vasp.at/tutorials/latest/electron-phonon/part1/#electron-phonon-e02 {{{2|Electron-Phonon - 2 Convergence studies of zero-point renormalization for diamond}}}]
| electron_phonon:e03 = [https://www.vasp.at/tutorials/latest/electron-phonon/part1/#electron-phonon-e03 {{{2|Electron-Phonon - 3 Bandgap renormalization of a polar material: MgO}}}]
  | electron_phonon:part2 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2 {{{2|Electron-Phonon - Part 2: One-shot and supercell methods}}}]
| electron_phonon:e04 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2/#electron-phonon-e04 {{{2|Electron-Phonon - 4 One-shot calculation in diamond}}}]
| electron_phonon:e05 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2/#electron-phonon-e05 {{{2|Electron-Phonon - 5 Supercell convergence of one-shot method within diamond}}}]
| electron_phonon:e06 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2/#electron-phonon-e06 {{{2|Electron-Phonon - 6 Temperature dependence of the bandgap in diamond}}}]
| electron_phonon:e07 = [https://www.vasp.at/tutorials/latest/electron-phonon/part2/#electron-phonon-e07 {{{2|Electron-Phonon - 7 Monte Carlo sampling vs one-shot in diamond}}}]
  | electron_phonon:part3 = [https://www.vasp.at/tutorials/latest/electron-phonon/part3 {{{2|Electron-Phonon - Part 3: Matrix elements and bandstructure}}}]
| electron_phonon:e08 = [https://www.vasp.at/tutorials/latest/electron-phonon/part3/#electron-phonon-e08 {{{2|Electron-Phonon - 8 ELPH_DRIVER tag to obtain the electron-phonon matrix elements + visualization}}}]
| electron_phonon:e09 = [https://www.vasp.at/tutorials/latest/electron-phonon/part3/#electron-phonon-e09 {{{2|Electron-Phonon - 9 Bandstructure of C diamond}}}]
| electron_phonon:e10 = [https://www.vasp.at/tutorials/latest/electron-phonon/part3/#electron-phonon-e10 {{{2|Electron-Phonon - 10 Dielectric properties for polar materials: MgO}}}]
  | electron_phonon:part4 = [https://www.vasp.at/tutorials/latest/electron-phonon/part4 {{{2|Electron-Phonon - Part 4: Conductivity}}}]
| electron_phonon:e11 = [https://www.vasp.at/tutorials/latest/electron-phonon/part4/#electron-phonon-e11 {{{2|Electron-Phonon - 11 Conductivity using the constant relaxation-time approximation}}}]
| electron_phonon:e12 = [https://www.vasp.at/tutorials/latest/electron-phonon/part4/#electron-phonon-e12 {{{2|Electron-Phonon - 12 Conductivity using the self-energy relaxation-time approximation}}}]
| electron_phonon:e13 = [https://www.vasp.at/tutorials/latest/electron-phonon/part4/#electron-phonon-e13 {{{2|Electron-Phonon - 13 The effect of the lattice parameter, density functional, and pseudopotential}}}]
  | electron_phonon:part5 = [https://www.vasp.at/tutorials/latest/electron-phonon/part5 {{{2|Electron-Phonon - Part 5: Mobility and thermoelectrics}}}]
| electron_phonon:e14 = [https://www.vasp.at/tutorials/latest/electron-phonon/part5/#electron-phonon-e14 {{{2|Electron-Phonon - 14 Mobility using the constant relaxation-time approximation}}}]
| electron_phonon:e15 = [https://www.vasp.at/tutorials/latest/electron-phonon/part5/#electron-phonon-e15 {{{2|Electron-Phonon - 15 Mobility using the self-energy relaxation-time approximation}}}]
| electron_phonon:e16 = [https://www.vasp.at/tutorials/latest/electron-phonon/part5/#electron-phonon-e16 {{{2|Electron-Phonon - 16 Thermoelectrics and the ZT figure of merit}}}]
}}
}}

Latest revision as of 16:54, 18 March 2026

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