All pages
- Makefile.include.nvhpc
- Makefile.include.nvhpc acc
- Makefile.include.nvhpc omp
- Makefile.include.nvhpc omp acc
- Makefile.include.nvhpc ompi mkl omp
- Makefile.include.nvhpc ompi mkl omp acc
- Makefile.include.oneapi
- Makefile.include.oneapi omp
- Many-body dispersion energy
- Many-body dispersion energy with fractionally ionic model for polarizability
- Many-body perturbation theory
- Matsubara Formalism
- Matsubara formalism
- Memory
- Memory requirements
- Metadynamics
- Metadynamics calculations
- MgO optimum mixing
- Minimal reproducible example
- Molecular dynamics
- Molecular dynamics - Tutorial
- Molecular dynamics calculations
- Monopole Dipole and Quadrupole Corrections
- Monopole Dipole and Quadrupole corrections
- Mueller-Plathe method
- NATURALO
- NBANDS
- NBANDSEXACT
- NBANDSGW
- NBANDSO
- NBANDSV
- NBANDS WAVE
- NBLK
- NBLOCK
- NBMOD
- NBSEEIG
- NCORE
- NCORES PER BAND
- NCORE IN IMAGE1
- NCRPA BANDS
- NCSHMEM
- NDAV
- NEDOS
- NELECT
- NELM
- NELMDL
- NELMGW
- NELMIN
- NERSC Berkeley 2016
- NERSC Berkeley 2016 HOWTO
- NFREE
- NGX
- NGXF
- NGY
- NGYF
- NGYROMAG
- NGZ
- NGZF
- NHC NCHAINS
- NHC NRESPA
- NHC NS
- NHC PERIOD
- NHC thermostat
- NKRED
- NKREDX
- NKREDY
- NKREDZ
- NLSPLINE
- NMAXFOCKAE
- NMAXFOCKAE and LMAXFOCKAE
- NOMEGA
- NOMEGAPAR
- NOMEGAR
- NOMEGA DUMP
- NPACO
- NPAR
- NPPSTR
- NRMM
- NSIM
- NSTORB
- NSUBSYS
- NSW
- NTARGET STATES
- NTAUPAR
- NTEMPER
- NUM WANN
- NUPDOWN
- NVE ensemble
- NVT ensemble
- NWRITE
- NiO
- NiO GGA
- NiO GGA+U
- NiO HSE06
- NiO LSDA+U
- Ni 100 surface DOS
- Ni 100 surface bandstructure
- Ni 100 surface relaxation
- Ni 111 surface high precision
- Ni 111 surface relaxation
- Nonlocal van der Waals density functionals
- Nonlocal van der Waals functionals
- Nonlocal vdW-DF functionals
- Nose-Hoover-chain thermostat
- Nose-Hoover thermostat
- Not enough memory
- NpH ensemble
- NpT ensemble
- Nucleophile Substitution CH3Cl - Standard MD
- Nuclephile Substitution CH3Cl - BM
- Nuclephile Substitution CH3Cl - SG
- Nuclephile Substitution CH3Cl - Standard MD
- Nuclephile Substitution CH3Cl - mMD
- Nuclephile Substitution CH3Cl - mMD1
- Nuclephile Substitution CH3Cl - mMD2
- Nuclephile Substitution CH3Cl - mMD3
- Nudged elastic bands
- Number of G-vectors changed in the star
- Number of bands NBANDS
- Number of k points and method for smearing
- ODDONLY
- ODDONLYGW
- OFIELD A
- OFIELD KAPPA
- OFIELD Q6 FAR
- OFIELD Q6 NEAR
- OMEGAMAX
- OMEGAMIN
- OMEGATL
- OSZICAR
- OUTCAR
- O atom
- O atom spinpolarized
- O atom spinpolarized low symmetry
- O dimer
- Ompi+omp.conf
- On-the-fly machine learning force field generation using Bayesian linear regression
- OpenACC GPU port of VASP
- Optical properties
- Optical properties and dielectric response
- Optical properties and dielectric response - Tutorial
- Optimizing the parallelization
- Output
- Output files
- PARAM1
- PARAM2
- PARCHG
- PARCHG.0001.0001
- PARCHG.ALLB.nk
- PARCHG.nb.ALLK
- PAW
- PAW control tags
- PAW formalism
- PAW method
- PCDAT
- PENALTYPOT
- PFLAT
- PHON BORN CHARGES
- PHON DIELECTRIC
- PHON DOS
- PHON G CUTOFF
- PHON LBOSE
- PHON LMC
- PHON NEDOS
- PHON NSTRUCT
- PHON NTLIST
- PHON NWRITE
- PHON SIGMA
- PHON TLIST
- PLEVEL
- PMASS
- POMASS
- POSCAR
- POSCAR.prim
- POT
- POTCAR
- POTCAR tag
- POTIM
- PREC
- PRECFOCK
- PRJCAR
- PROCAR
- PROCAR OPT
- PROJCAR
- PROOUT
- PROUTINE
- PSTRESS
- PSUBSYS
- PTHRESHOLD
- Parallelization
- Partial DOS of CO on Ni 111 surface
- Performance
- Performance issues, try NCORE, KPAR, ALGO, LREAL
- Personal computer installation
- Phelel params.hdf5
- Phonons
- Phonons: Theory
- Phonons from density-functional-perturbation theory
- Phonons from finite differences
- Plot BSE fatband
- Plot BSE fatbands
- Plotting exciton wavefunction
- Plotting the BSE fatband structure
- Plotting the BSE fatband structure of Si
- Practical considerations for transition state finding calculations
- Practical guide to GW calculations
- Precompiler flags
- Precompiler options
- Preconditioning
- Prepare a POTCAR
- Preparing a POTCAR
- Preparing a Super Cell
- Profiling
- Projector-augmented-wave formalism
- Pseudopotential
- Pseudopotentials
- Pulay stress
- QMAXFOCKAE
- QPOINTS
- QSPIRAL
- QUAD EFG
- RANDOM SEED
- REGCAR
- REPORT
- RMM-DIIS
- ROPT
- RPA/ACFDT: Correlation energy in the Random Phase Approximation
- RSMBJ
- RWIGS
- Relaxed geometry
- SAXIS
- SCALEE
- SCH calculations
- SCISSOR
- SCSRAD
- SHAKEMAXITER
- SHAKETOL
- SIGMA
- SMASS
- SMBJ
- SMEARINGS
- SPRING
- SPRING K
- SPRING R0
- SPRING V0
- STEP MAX
- STEP SIZE
- STM of graphene
- STM of graphite
- STOPCAR
- STOP ON
- SYMPREC
- SYSTEM
- Self-consistency cycle
- Self-consistent screening in Tkatchenko-Scheffler method
- Shared memory
- Si HSE bandstructure
- Si bandstructure
- Sigma2 Oslo 2019
- Slow-growth approach
- Slow-growth approach calculations
- Spin-orbit coupling in a Fe monolayer
- Spin-orbit coupling in a Ni monolayer
- Spin spirals
- Standard relaxation
- Static linear response: theory
- Stochastic LTMP2
- Structure optimization
- Style-guide
- Surface Science
- Surface Science - Tutorial
- Symmetry
- TBOUNDLIBXC
- TDDFT calculations
- TEBEG
- TEEND
- TILAMBDA
- TIME
- TITEL
- TI LAMBDA
- TMPCAR
- TRANSPORT NEDOS
- TRANSPORT RELAXATION TIME
- TSUBSYS
- TS search using the Improved Dimer Method
- TS search using the NEB Method
- Technical errors
- The GW approximation of Hedin's equations
- The VASP Manual
- Theory
- Thermodynamic integration
- Thermodynamic integration calculations
- Thermodynamic integration with harmonic reference
- Thermostats
- Time-dependent density-functional theory calculations
- Time-propagation algorithms in molecular dynamics
- Time Evolution
- Timepropagation
- Tkatchenko-Scheffler method
- Tkatchenko-Scheffler method with iterative Hirshfeld partitioning
- Toolchains
- Transition State Search of Ammonia
- Transition states
- Transport coefficients including electron-phonon scattering
- Troubleshooting electronic convergence
- VACPOTFLAT
- VALUE MAX
- VALUE MIN
- VASP workshop
- VASP workshop 2003
- VCA
- VCAIMAGES
- VCUTOFF
- VDW A1
- VDW A2
- VDW ALPHA
- VDW C6
- VDW C6AU
- VDW CNRADIUS
- VDW D
- VDW R0
- VDW R0AU
- VDW RADIUS
- VDW S6
- VDW S8
- VDW SCALING
- VDW SR
- VOSKOWN
- Validation tests
- Vasp.lock
- Vaspin.h5
- Vaspout.h5
- Vaspwave.h5
- Vaspwiki standards
- VdW-DF functional of Langreth and Lundqvist et al.
- Vibrational Analysis of the TS
- Vibrational frequencies of CO on Ni 111 surface
- Volume relaxation
- WANNIER90 WIN
- WANPROJ
- WAVECAR
- WAVEDER
- WC
- WEIMIN
- WFULLxxxx.tmp