All pages
- ABCAR
- ABNCAR
- ACFDT/RPA calculations
- ACFDT calculations
- ADDGRID
- AEXX
- AGGAC
- AGGAX
- ALDAC
- ALDAX
- ALGO
- ALPHA VDW
- AMGGAC
- AMGGAX
- AMIN
- AMIX
- AMIX MAG
- ANDERSEN PROB
- ANTIRES
- APACO
- A CentOS based installation of VASP
- A Debian based installation of VASP
- A Fedora based installation of VASP
- A Ubuntu based installation of VASP
- Adsorption of H2O on TiO2
- Advanced molecular-dynamics sampling
- All.conf
- Alpha-AlF3
- Alpha-SiO2
- Andersen thermostat
- Angular functions
- At and mol further
- Atoms and Molecules - Tutorial
- Available PAW potentials
- Available potentials
- Available pseudopotentials
- BANDGAP
- BEXT
- BMIX
- BMIX MAG
- BPARAM
- BSE
- BSEELECTRON
- BSEFATBAND
- BSEHOLE
- BSEPREC
- BSE - Tutorial
- BSE calculations
- Band-decomposed charge densities
- Band-structure calculation using hybrid functionals
- Band-structure calculation using meta-GGA functionals
- Band decomposed charge densities
- Band gap renormalization in diamond using one-shot method
- Band structure
- Bandgap of Si in GW
- Bandgap of Si using different DFT+HF methods
- Bandgap renormalization due to electron-phonon coupling
- Bandstructure and CRPA of SrVO3
- Bandstructure of Si in GW (VASP2WANNIER90)
- Bandstructure of SrVO3 in GW
- Basis set convergence of RPA-ACFDT calculations
- Be careful with the default smearing method (ISMEAR=1)
- Berry phases and finite electric fields
- Best practices for machine-learned force fields
- Beta-tin Si
- Bethe-Salpeter-equations calculations
- Bethe-Salpeter equations
- Biased molecular dynamics
- Biased molecular dynamics calculations
- Blocked-Davidson algorithm
- Blue-moon ensemble
- Blue moon ensemble
- Blue moon ensemble calculations
- Born effective charges
- Bulk Systems
- Bulk Systems - Tutorial
- CHG
- CHGCAR
- CH LSPEC
- CH NEDOS
- CH SIGMA
- CLL
- CLN
- CLNT
- CLZ
- CMBJ
- CMBJA
- CMBJB
- CMBJE
- CO
- CONSTUCTION:LSEPK
- CONTCAR
- CO on Ni 111 surface
- CO partial DOS
- CO vibration
- CPARAM
- CRPA
- CRPA formalism
- CRPA of SrVO3
- CSHIFT
- CSVR PERIOD
- CSVR thermostat
- CUDA-C GPU port of VASP
- CUTOFF MU
- CUTOFF SIGMA
- CUTOFF TYPE
- Calculate U for LSDA+U
- Calculation of atoms
- Calculation of dimers
- Calculation setup
- Caveat
- Cd Si
- Cd Si relaxation
- Cd Si volume relaxation
- Changelog
- Charge density
- Charge sloshing
- Chester 2019
- Choosing pseudopotentials
- Cite
- Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation
- Combining MPI and OpenMP
- Command-line arguments
- Compiler options
- Computational setup
- Computing the Workfunction
- Computing the phonon dispersion and DOS
- Computing the work function
- Computing the workfunction
- Conjugate gradient optimization
- Constrained-random-phase approximation
- Constrained MD using a canonical ensemble
- Constrained MD using a microcanonical ensemble
- Constrained molecuar dynamics calculations
- Constrained molecular dynamics
- Constrained random-phase approximation
- Constrained–random-phase–approximation formalism
- Constraining local magnetic moments
- Constraining the local magnetic moments
- Constructing Wannier orbitals
- Coulomb singularity
- Cuda.conf
- DDsC dispersion correction
- DEPER
- DFT+U
- DFT+U: formalism
- DFT-D2
- DFT-D3
- DFT-D4
- DFT-ulg
- DIMER DIST
- DIPOL
- DMFT BASIS
- DOSCAR
- DQ
- DYNMATFULL
- Density mixing
- Density of states
- Determining the Magnetic Anisotropy
- Dielectric function
- Dielectric properties
- Dielectric properties of Si
- Dielectric properties of SiC
- Dielectric properties of Si using BSE
- Difficult to converge systems
- Dipole corrections for defects in solids
- Direct optimization of the orbitals
- Downsampling
- Downsampling of Hartree-Fock operator
- Downsampling of the Hartree-Fock operator
- EAUG
- EBREAK
- EDIFF
- EDIFFG
- EFERMI
- EFIELD
- EFIELD PEAD
- EIGENVAL
- EINT
- ELFCAR
- ELPH DECOMPOSE
- ELPH DRIVER
- ELPH IGNORE IMAG PHONONS
- ELPH ISMEAR
- ELPH KSPACING
- ELPH LR
- ELPH NBANDS
- ELPH NBANDS SUM
- ELPH RUN
- ELPH SCATTERING APPROX
- ELPH SELFEN BAND START
- ELPH SELFEN BAND STOP
- ELPH SELFEN CARRIER DEN
- ELPH SELFEN CARRIER PER CELL
- ELPH SELFEN DELTA
- ELPH SELFEN DW
- ELPH SELFEN FAN
- ELPH SELFEN GAPS
- ELPH SELFEN IKPT
- ELPH SELFEN KPTS
- ELPH SELFEN MU
- ELPH SELFEN NW
- ELPH SELFEN STATIC
- ELPH SELFEN TEMPS
- ELPH SELFEN WRANGE
- ELPH TRANSPORT DFERMI TOL
- ELPH TRANSPORT DRIVER
- ELPH USEBLAS
- EMAX
- EMIN
- ENAUG
- ENCUT
- ENCUTFOCK
- ENCUTGW
- ENCUTGWSOFT
- ENCUTLR
- ENINI
- ENMAX
- ENMIN
- EPSILON
- ESTOP
- EVENONLY
- EVENONLYGW
- Electric Field Gradient
- Electron-phonon coupling
- Electron-phonon interactions from Monte-Carlo sampling
- Electron-phonon interactions theory
- Electron-phonon potential from supercells
- Electron Phonon Couplings: Statistical averages
- Electronic ground-state properties
- Electronic minimization
- Electronic occupancy
- Electrostatic corrections
- Electrostatics
- Energy cut off and FFT mesh
- Energy vs volume Volume relaxations and Pulay stress
- Ensemble
- Ensemble properties
- Ensembles
- Equilibrium volume of Si in the RPA
- Estimation of J magnetic coupling
- Exchange-correlation functional
- Exchange-correlation functionals
- Extract zpr cd carbon
- FAQ
- FBIAS A
- FBIAS D
- FBIAS R0
- FERDO
- FERWE
- FFCAR
- FFNCAR
- FINDIFF
- FOCKCORR
- Fast.conf
- Fcc Ni
- Fcc Ni (revisited)
- Fcc Ni DOS
- Fcc Ni DOS with hybrid functional
- Fcc Si
- Fcc Si DOS
- Fcc Si bandstructure
- Files
- Forces
- GAMMA
- GAMMA VDW
- GGA
- GGA COMPAT
- GW
- GW0 caveat
- GW and ACFDT
- GW and ACFDT - Tutorial
- GW and dielectric matrix
- GW approximation of Hedin's equations
- GW calculations
- GW method
- Graphite MBD binding energy
- Graphite TS binding energy
- Graphite interlayer distance
- Groundstate in the Random Phase Approximation
- H2O
- H2O molecular dynamics
- H2O vibration
- HESSEMAT
- HFALPHA
- HFLMAX
- HFRCUT
- HFSCREEN
- HILLSPOT
- HILLS BIN
- HILLS H
- HILLS W
- HISCAR
- HITOLER
- Harris-Foulkes functional
- Harris Foulkes functional
- Hellmann-Feynman forces
- High quality quantitative versus qualitative calculations
- Howto
- Hybrid functionals
- Hybrid functionals: formalism
- Hybrid functionals - Tutorial
- Hybrid functionals theory
- Hydrogenic radial function
- IALGO
- IALL IN ONE
- IBAND
- IBRION
- IBSE
- IBZKPT
- ICAMM Rennes 2016
- ICAMM Rennes 2016 HOWTO
- ICAMM Rennes 2019
- ICAMM Rennes 2019 HOWTO
- ICHARG
- ICHIBARE
- ICONST
- ICORELEVEL
- IDIPOL
- IEPSILON
- IFC ASR
- IFC LR
- IGPAR
- IMAGES
- IMIX
- INCAR
- INCAR tag
- INCREM
- INIMIX
- INIWAV
- IOP Chester 2019
- IPEAD
- IRC DELTA0
- IRC DIRECTION
- IRC MAXSTEP
- IRC MINSTEP
- IRC STOP
- IRC VNORM0
- IRC calculations
- ISIF
- ISMEAR
- ISPIN
- ISTART
- ISYM
- IVDW