Most linked-to pages
Showing below up to 500 results in range #1 to #500.
- INCAR (267 links)
- POSCAR (186 links)
- OUTCAR (130 links)
- KPOINTS (125 links)
- ALGO (123 links)
- ISMEAR (110 links)
- IBRION (107 links)
- Category:Tutorials (101 links)
- POTCAR (82 links)
- NSW (79 links)
- ENCUT (77 links)
- EDIFF (75 links)
- SIGMA (68 links)
- PREC (65 links)
- MDALGO (63 links)
- WAVECAR (62 links)
- ML LMLFF (61 links)
- NBANDS (61 links)
- POTIM (59 links)
- SYSTEM (56 links)
- Makefile.include (53 links)
- ICHARG (50 links)
- GGA (46 links)
- ISPIN (46 links)
- ISIF (45 links)
- LORBIT (44 links)
- LHFCALC (42 links)
- CHGCAR (42 links)
- AEXX (40 links)
- ISTART (39 links)
- Precompiler options (39 links)
- LREAL (39 links)
- TEBEG (38 links)
- ML MODE (37 links)
- LOPTICS (37 links)
- The VASP Manual (36 links)
- ICONST (34 links)
- NOMEGA (33 links)
- ENMAX (32 links)
- OSZICAR (32 links)
- METAGGA (31 links)
- NELM (31 links)
- KPAR (31 links)
- Tkatchenko-Scheffler method (30 links)
- Hybrid functionals: formalism (30 links)
- List of hybrid functionals (30 links)
- CONTCAR (30 links)
- ISYM (29 links)
- LWAVE (28 links)
- Machine learning force field: Theory (28 links)
- MAGMOM (28 links)
- LCALCEPS (27 links)
- Many-body dispersion energy (26 links)
- LNONCOLLINEAR (26 links)
- IVDW (26 links)
- AGGAC (26 links)
- ALDAC (25 links)
- BMIX (25 links)
- AMIX (25 links)
- BSE calculations (24 links)
- HFSCREEN (24 links)
- ML LOGFILE (24 links)
- Category:Molecular dynamics (23 links)
- AMIX MAG (23 links)
- BMIX MAG (23 links)
- NGXF (22 links)
- ANDERSEN PROB (22 links)
- LCHARG (22 links)
- Vasprun.xml (22 links)
- EDIFFG (22 links)
- LMAXMIX (22 links)
- AGGAX (22 links)
- LEPSILON (21 links)
- NGYF (21 links)
- ACFDT/RPA calculations (21 links)
- NGZF (21 links)
- GW calculations (21 links)
- IALGO (21 links)
- NCORE (20 links)
- Projector-augmented-wave formalism (20 links)
- REPORT (20 links)
- CSHIFT (20 links)
- NELECT (20 links)
- NELMIN (20 links)
- Bulk Systems - Tutorial (19 links)
- ALDAX (19 links)
- WAVEDER (19 links)
- Precompiler flags (19 links)
- SMASS (19 links)
- ML AB (19 links)
- DIPOL (18 links)
- Atoms and Molecules - Tutorial (18 links)
- Machine learning force field calculations: Basics (18 links)
- Surface Science - Tutorial (18 links)
- LPEAD (17 links)
- ML CTIFOR (17 links)
- PRECFOCK (17 links)
- LANGEVIN GAMMA (17 links)
- NpT ensemble (17 links)
- OMEGAMAX (17 links)
- Fcc Si bandstructure (17 links)
- ML FF (17 links)
- NEDOS (16 links)
- Category:Electronic minimization (16 links)
- NPAR (16 links)
- System (16 links)
- LDAU (16 links)
- MAXMIX (16 links)
- Graphite TS binding energy (15 links)
- NGX (15 links)
- Cd Si (15 links)
- Graphite interlayer distance (15 links)
- Cd Si relaxation (15 links)
- Fcc Si (15 links)
- AMGGAC (15 links)
- Nonlocal vdW-DF functionals (15 links)
- Cd Si volume relaxation (15 links)
- AMGGAX (15 links)
- IMAGES (15 links)
- ENCUTGW (15 links)
- LWANNIER90 (15 links)
- Fcc Ni (15 links)
- STM of graphene (15 links)
- LDAUTYPE (15 links)
- Vaspout.h5 (15 links)
- Fcc Si DOS (15 links)
- IMIX (15 links)
- DFT-D2 (15 links)
- LOCPROJ (15 links)
- Graphite MBD binding energy (15 links)
- DOSCAR (15 links)
- Category:Hybrid functionals (15 links)
- Practical guide to GW calculations (14 links)
- Ni 100 surface bandstructure (14 links)
- Ni 100 surface relaxation (14 links)
- H2O (14 links)
- LIBMBD METHOD (14 links)
- Ni 111 surface high precision (14 links)
- LIBXC1 (14 links)
- LSORBIT (14 links)
- NGY (14 links)
- LDAUJ (14 links)
- Category:Ensembles (14 links)
- H2O molecular dynamics (14 links)
- Ni 111 surface relaxation (14 links)
- NGZ (14 links)
- LDAUL (14 links)
- H2O vibration (14 links)
- Partial DOS of CO on Ni 111 surface (14 links)
- O atom spinpolarized (14 links)
- NFREE (14 links)
- SAXIS (14 links)
- O atom spinpolarized low symmetry (14 links)
- Liquid Si - Standard MD (14 links)
- CO on Ni 111 surface (14 links)
- STM of graphite (14 links)
- LDAUU (14 links)
- LANGEVIN GAMMA L (14 links)
- ML IALGO LINREG (14 links)
- CO (14 links)
- O dimer (14 links)
- LDIPOL (14 links)
- RWIGS (14 links)
- XDATCAR (14 links)
- CO partial DOS (14 links)
- O atom (14 links)
- Ni 100 surface DOS (14 links)
- Vibrational frequencies of CO on Ni 111 surface (14 links)
- NBLOCK (14 links)
- CO vibration (14 links)
- PARCHG (13 links)
- LVTOT (13 links)
- LCHIMAG (13 links)
- ML MCONF NEW (13 links)
- Installing VASP.6.X.X (13 links)
- NVT ensemble (13 links)
- NBANDSO (13 links)
- IDIPOL (13 links)
- KPOINTS OPT (13 links)
- NBANDSV (13 links)
- Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation (13 links)
- Langevin thermostat (13 links)
- LWANNIER90 RUN (13 links)
- ML ICRITERIA (13 links)
- ML MB (13 links)
- LASPH (13 links)
- ENAUG (13 links)
- ML ABN (13 links)
- Beta-tin Si (13 links)
- OpenACC GPU port of VASP (12 links)
- AMIN (12 links)
- LPHON POLAR (12 links)
- Magnetism - Tutorial (12 links)
- LDAUPRINT (12 links)
- At and mol further (12 links)
- Optical properties and dielectric response - Tutorial (12 links)
- PCDAT (12 links)
- Known issues (12 links)
- PHON BORN CHARGES (12 links)
- PHON DIELECTRIC (12 links)
- LRPA (12 links)
- DFT-D3 (12 links)
- PHON G CUTOFF (12 links)
- Improved Dimer Method (11 links)
- NSIM (11 links)
- PHON NWRITE (11 links)
- TIME (11 links)
- GW and ACFDT - Tutorial (11 links)
- ICORELEVEL (11 links)
- EINT (11 links)
- ML CX (11 links)
- QPOINTS (11 links)
- LPARD (11 links)
- ML MRB2 (11 links)
- Self-consistent screening in Tkatchenko-Scheffler method (11 links)
- Many-body perturbation theory (11 links)
- LMIXTAU (11 links)
- ML MHIS (11 links)
- ML LSPARSDES (11 links)
- Nose-Hoover thermostat (11 links)
- Monopole Dipole and Quadrupole corrections (10 links)
- DFT-ulg (10 links)
- Downsampling of the Hartree-Fock operator (10 links)
- ML FFN (10 links)
- MIXPRE (10 links)
- NVE ensemble (10 links)
- Category:Interface pinning (10 links)
- WC (10 links)
- Nuclephile Substitution CH3Cl - mMD1 (10 links)
- VDW SR (10 links)
- NELMDL (10 links)
- TEEND (10 links)
- LSPECTRAL (10 links)
- Wannier functions (10 links)
- Andersen thermostat (10 links)
- LVHAR (10 links)
- LSEPB (10 links)
- Liquid Si - Freezing (10 links)
- Vaspwave.h5 (10 links)
- ML RCUT2 (10 links)
- LSEPK (10 links)
- LMAXFOCKAE (10 links)
- LOCPOT (10 links)
- ML CDOUB (10 links)
- INIMIX (10 links)
- NBMOD (10 links)
- Nucleophile Substitution CH3Cl - Standard MD (10 links)
- ML MCONF (10 links)
- Nuclephile Substitution CH3Cl - BM (9 links)
- PROCAR (9 links)
- CLN (9 links)
- EFIELD PEAD (9 links)
- Category:Input files (9 links)
- LSCDM (9 links)
- HILLS BIN (9 links)
- RPA/ACFDT: Correlation energy in the Random Phase Approximation (9 links)
- Nuclephile Substitution CH3Cl - SG (9 links)
- CLZ (9 links)
- ML RDES SPARSDES (9 links)
- PMASS (9 links)
- ML EPS LOW (9 links)
- NUM WANN (9 links)
- EMAX (9 links)
- Nuclephile Substitution CH3Cl - mMD2 (9 links)
- ML OUTBLOCK (9 links)
- CLNT (9 links)
- LMAXTAU (9 links)
- EMIN (9 links)
- Nuclephile Substitution CH3Cl - mMD3 (9 links)
- Hybrid functionals - Tutorial (9 links)
- Biased molecular dynamics (9 links)
- ML RCUT1 (9 links)
- Tkatchenko-Scheffler method with iterative Hirshfeld partitioning (9 links)
- Band-decomposed charge densities (9 links)
- I CONSTRAINED M (9 links)
- Molecular dynamics - Tutorial (9 links)
- IBAND (9 links)
- ML SION1 (9 links)
- ML MRB1 (9 links)
- KPUSE (9 links)
- Bandstructure of SrVO3 in GW (9 links)
- LIBXC2 (9 links)
- Combining MPI and OpenMP (9 links)
- CLL (9 links)
- Berry phases and finite electric fields (9 links)
- WRT POTENTIAL (9 links)
- IRC calculations (9 links)
- Equilibrium volume of Si in the RPA (8 links)
- NWRITE (8 links)
- HILLS H (8 links)
- ML CSIG (8 links)
- LPHON DISPERSION (8 links)
- BSE - Tutorial (8 links)
- Bandgap of Si in GW (8 links)
- LHARTREE (8 links)
- Category:Ionic minimization (8 links)
- HILLS W (8 links)
- ML CSLOPE (8 links)
- EFIELD (8 links)
- Category:Pseudopotentials (8 links)
- EPSILON (8 links)
- Validation tests (8 links)
- NTAUPAR (8 links)
- Energy vs volume Volume relaxations and Pulay stress (8 links)
- ML W1 (8 links)
- Constrained molecular dynamics (8 links)
- Bandstructure of Si in GW (VASP2WANNIER90) (8 links)
- Toolchains (8 links)
- NKRED (8 links)
- CHG (8 links)
- ADDGRID (8 links)
- PHON NSTRUCT (8 links)
- LMONO (8 links)
- CMBJ (8 links)
- Category:Output files (8 links)
- HILLSPOT (8 links)
- Category:Thermostats (8 links)
- ML SION2 (7 links)
- VASP example calculations (7 links)
- DFT+U: formalism (7 links)
- CMBJA (7 links)
- LPLANE (7 links)
- ANTIRES (7 links)
- Fcc Ni (revisited) (7 links)
- KBLOCK (7 links)
- CMBJB (7 links)
- Metadynamics (7 links)
- LSCAAWARE (7 links)
- ML IWEIGHT (7 links)
- Constraining local magnetic moments (7 links)
- Phonons from density-functional-perturbation theory (7 links)
- Molecular dynamics calculations (7 links)
- LSCALAPACK (7 links)
- Phonons: Theory (7 links)
- Category:Parallelization (7 links)
- Available pseudopotentials (7 links)
- Many-body dispersion energy with fractionally ionic model for polarizability (7 links)
- Fcc Ni DOS with hybrid functional (7 links)
- LBERRY (7 links)
- Phonons from finite differences (7 links)
- Category:Exchange-correlation functionals (7 links)
- LSCALU (7 links)
- Category:Wannier functions (7 links)
- LVACPOTAV (7 links)
- Choosing pseudopotentials (7 links)
- NiO (7 links)
- VDW C6 (7 links)
- POMASS (7 links)
- Category:Machine-learned force fields (7 links)
- DDsC dispersion correction (7 links)
- NiO LSDA+U (7 links)
- IVDW NL (7 links)
- Slow-growth approach (7 links)
- Electron-phonon interactions from Monte-Carlo sampling (7 links)
- PENALTYPOT (7 links)
- LDIAG (7 links)
- Müller-Plathe method (7 links)
- ML OUTPUT MODE (7 links)
- IRC VNORM0 (7 links)
- Spin-orbit coupling in a Fe monolayer (7 links)
- VDW R0 (7 links)
- Si bandstructure (7 links)
- LTMP2 - Tutorial (7 links)
- NBSEEIG (7 links)
- WANNIER90 WIN (7 links)
- PSTRESS (7 links)
- ML WTOTEN (7 links)
- Spin-orbit coupling in a Ni monolayer (7 links)
- Bandgap of Si using different DFT+HF methods (7 links)
- ML DESC TYPE (7 links)
- LWRITE MMN AMN (7 links)
- NiO HSE06 (7 links)
- ML AFILT2 (6 links)
- CRPA of SrVO3 (6 links)
- VDW S6 (6 links)
- ML ISTART (6 links)
- LCHARGH5 (6 links)
- LAMBDA (6 links)
- DQ (6 links)
- Category:Density mixing (6 links)
- Category:Metadynamics (6 links)
- Dielectric properties of Si using BSE (6 links)
- IRC DELTA0 (6 links)
- ML IAFILT2 (6 links)
- LUSE VDW (6 links)
- BSEFATBAND (6 links)
- LWAVEH5 (6 links)
- Compiler options (6 links)
- M CONSTR (6 links)
- LTBOUNDLIBXC (6 links)
- IGPAR (6 links)
- Category:HDF5 support (6 links)
- ICHIBARE (6 links)
- FML ACTIVE (6 links)
- Electronic minimization (6 links)
- IRC DIRECTION (6 links)
- ML SIGW0 (6 links)
- LRHFCALC (6 links)
- HFRCUT (6 links)
- IBSE (6 links)
- Linking to libraries (6 links)
- NKREDX (6 links)
- Stochastic LTMP2 (6 links)
- NOMEGAPAR (6 links)
- IPEAD (6 links)
- RMM-DIIS (6 links)
- CMBJE (6 links)
- ML LCOUPLE (6 links)
- FML DIRECTION (6 links)
- IRC MAXSTEP (6 links)
- LTHOMAS (6 links)
- PARAM1 (6 links)
- NKREDY (6 links)
- VCAIMAGES (6 links)
- LH5 (6 links)
- Constrained–random-phase–approximation formalism (6 links)
- Including the Spin-Orbit Coupling (6 links)
- FML PERIOD (6 links)
- IRC MINSTEP (6 links)
- PARAM2 (6 links)
- NKREDZ (6 links)
- ENCUTGWSOFT (6 links)
- ROPT (6 links)
- LCALCPOL (6 links)
- LNMR SYM RED (6 links)
- FML SNUMBER (6 links)
- IRC STOP (6 links)
- Dielectric properties of SiC (6 links)
- QUAD EFG (6 links)
- Category:INCAR tag (6 links)
- ZVAL (6 links)
- NPPSTR (6 links)
- RSMBJ (6 links)
- PHON LMC (6 links)
- ML WTIFOR (6 links)
- FML SWAPNUM (6 links)
- OMEGATL (6 links)
- SMBJ (6 links)
- LBLUEOUT (6 links)
- MP2 ground state calculation - Tutorial (6 links)
- Constraining the local magnetic moments (6 links)
- NiO GGA+U (6 links)
- LVDW EWALD (6 links)
- GW approximation of Hedin's equations (6 links)
- Coulomb singularity (6 links)
- LEFG (6 links)
- NLSPLINE (6 links)
- ML IREG (6 links)
- ML WTSIF (6 links)
- Category:Bethe-Salpeter equations (5 links)
- VOSKOWN (5 links)
- Input and Output - Tutorial (5 links)
- ML NRANK SPARSDES (5 links)
- XAS - Tutorial (5 links)
- The GW approximation of Hedin's equations (5 links)
- INIWAV (5 links)
- Density mixing (5 links)
- Vaspin.h5 (5 links)
- Category:Meta-GGA (5 links)
- NHC PERIOD (5 links)
- PHON TLIST (5 links)
- ML ISCALE TOTEN (5 links)
- ML EATOM (5 links)
- LVDWEXPANSION (5 links)
- ML SIGV0 (5 links)
- Nose-Hoover-chain thermostat (5 links)
- SPRING (5 links)
- EVENONLY (5 links)
- LADDER (5 links)
- CH LSPEC (5 links)
- Available PAW potentials (5 links)
- NHC thermostat (5 links)
- LWRITE UNK (5 links)
- SHAKEMAXITER (5 links)
- Estimation of J magnetic coupling (5 links)
- ML HEAT (5 links)
- Dielectric properties of Si (5 links)
- Spin spirals (5 links)
- CH SIGMA (5 links)
- ACFDT calculations (5 links)
- SHAKETOL (5 links)
- Computing the work function (5 links)
- WEIMIN (5 links)
- Improving the dielectric function (5 links)
- Ionic minimization (5 links)
- LMODELHF (5 links)
- CUTOFF MU (5 links)
- IBZKPT (5 links)
- ML LEATOM (5 links)
- ML NMDINT (5 links)
- Bethe-Salpeter-equations calculations (5 links)
- LFXC (5 links)
- CUTOFF SIGMA (5 links)
- Category:Forces (5 links)
- VDW D (5 links)
- MgO optimum mixing (5 links)
- LSMP2LT (5 links)
- ODDONLY (5 links)
- Best practices for machine-learned force fields (5 links)
- CUTOFF TYPE (5 links)