Pages with the most categories
Showing below up to 500 results in range #1 to #500.
- NTAUPAR (8 categories)
- NOMEGAPAR (7 categories)
- KPOINTS (7 categories)
- ISIF (6 categories)
- Berry phases and finite electric fields (6 categories)
- Constrained–random-phase–approximation formalism (6 categories)
- ICONST (6 categories)
- ACFDT/RPA calculations (6 categories)
- LRPAFORCE (6 categories)
- LFINITE TEMPERATURE (5 categories)
- PSTRESS (5 categories)
- REPORT (5 categories)
- Hybrid functionals: formalism (5 categories)
- LDAUU (5 categories)
- XC C (5 categories)
- Practical guide to GW calculations (5 categories)
- MAXMEM (5 categories)
- XAS theory (5 categories)
- LSINGLES (5 categories)
- POSCAR (5 categories)
- ODDONLY (5 categories)
- OpenACC GPU port of VASP (5 categories)
- DDsC dispersion correction (5 categories)
- NOMEGA (5 categories)
- Nose-Hoover thermostat (5 categories)
- LFOCKAEDFT (5 categories)
- LIBXC1 (5 categories)
- LIBXC2 Pn (5 categories)
- NMAXFOCKAE and LMAXFOCKAE (5 categories)
- NBANDSEXACT (5 categories)
- LIBXC2 (5 categories)
- LALL IN ONE (5 categories)
- ALGO (5 categories)
- LBERRY (5 categories)
- LCALCEPS (5 categories)
- NKRED (5 categories)
- IALL IN ONE (5 categories)
- LIBXC1 Pn (5 categories)
- LMIXTAU (5 categories)
- Shared memory (5 categories)
- NOMEGA DUMP (5 categories)
- DFT-D2 (5 categories)
- CSHIFT (5 categories)
- NBANDS WAVE (5 categories)
- NATURALO (5 categories)
- RPA/ACFDT: Correlation energy in the Random Phase Approximation (4 categories)
- CLN (4 categories)
- Constrained molecular dynamics (4 categories)
- Wannier orbitals from VASP (4 categories)
- POTIM (4 categories)
- IBRION (4 categories)
- CH SIGMA (4 categories)
- RMM-DIIS (4 categories)
- LDIPOL (4 categories)
- Tkatchenko-Scheffler method (4 categories)
- LSCK (4 categories)
- RWIGS (4 categories)
- CLL (4 categories)
- Slow-growth approach (4 categories)
- LSORBIT (4 categories)
- XC (4 categories)
- CLZ (4 categories)
- Toolchains (4 categories)
- K-point integration (4 categories)
- SCH calculations (4 categories)
- Andersen thermostat (4 categories)
- ISYM (4 categories)
- Makefile.include (4 categories)
- KPOINTS WAN (4 categories)
- Downsampling of the Hartree-Fock operator (4 categories)
- DFT+U: formalism (4 categories)
- Self-consistent screening in Tkatchenko-Scheffler method (4 categories)
- NCORE IN IMAGE1 (4 categories)
- Precompiler options (4 categories)
- LCALCPOL (4 categories)
- Langevin thermostat (4 categories)
- Low-scaling GW: The space-time formalism (4 categories)
- Spin spirals (4 categories)
- PCDAT (4 categories)
- CH NEDOS (4 categories)
- NCSHMEM (4 categories)
- NPPSTR (4 categories)
- EFIELD PEAD (4 categories)
- LORBIT (4 categories)
- NGYROMAG (4 categories)
- Compiler options (4 categories)
- NFREE (4 categories)
- OMEGATL (4 categories)
- Blocked-Davidson algorithm (4 categories)
- GGA COMPAT (4 categories)
- SMEARINGS (4 categories)
- Monopole Dipole and Quadrupole Corrections (4 categories)
- Profiling (4 categories)
- Installing VASP.6.X.X (4 categories)
- LPEAD (4 categories)
- Installing VASP.5.X.X (4 categories)
- AMIX MAG (4 categories)
- Linking to libraries (4 categories)
- POMASS (4 categories)
- PENALTYPOT (4 categories)
- IPEAD (4 categories)
- IGPAR (4 categories)
- OMEGAMIN (4 categories)
- NELMGW (4 categories)
- NTARGET STATES (4 categories)
- KPAR (4 categories)
- BMIX MAG (4 categories)
- GW approximation of Hedin's equations (4 categories)
- CLNT (4 categories)
- KPOINTS OPT (4 categories)
- BEXT (4 categories)
- CH LSPEC (4 categories)
- ICORELEVEL (4 categories)
- CUDA-C GPU port of VASP (4 categories)
- CSVR thermostat (4 categories)
- DFT-D3 (4 categories)
- Improved dimer method (3 categories)
- LDAUL (3 categories)
- PLEVEL (3 categories)
- VDW C6 (3 categories)
- DQ (3 categories)
- VDW C6AU (3 categories)
- PHON NSTRUCT (3 categories)
- LHFCALC (3 categories)
- Plotting exciton wavefunction (3 categories)
- NKREDZ (3 categories)
- ML EATOM (3 categories)
- LIBMBD VDW PARAMS KIND (3 categories)
- LLRAUG (3 categories)
- Performance issues, try NCORE, KPAR, ALGO, LREAL (3 categories)
- Many-body dispersion energy with fractionally ionic model for polarizability (3 categories)
- PREC (3 categories)
- IWAVPR (3 categories)
- BMIX (3 categories)
- ML MCONF (3 categories)
- PARCHG (3 categories)
- LRPA (3 categories)
- QMAXFOCKAE (3 categories)
- LSMP2LT (3 categories)
- LSCSGRAD (3 categories)
- NCRPA BANDS (3 categories)
- LSPIN VDW (3 categories)
- ML REG (3 categories)
- DIMER DIST (3 categories)
- LIBMBD K GRID SHIFT (3 categories)
- VDW R0 (3 categories)
- ICHIBARE (3 categories)
- VDW R0AU (3 categories)
- PHON LBOSE (3 categories)
- LANGEVIN GAMMA (3 categories)
- LOCPROJ (3 categories)
- TIME (3 categories)
- LIBMBD ALPHA (3 categories)
- ML HEAT (3 categories)
- WAVEDER (3 categories)
- LBONE (3 categories)
- WFULLxxxx.tmp (3 categories)
- Wrap-around errors (3 categories)
- LMONO (3 categories)
- Intrinsic-reaction-coordinate calculations (3 categories)
- ICHARG (3 categories)
- IMIX (3 categories)
- Tkatchenko-Scheffler method with iterative Hirshfeld partitioning (3 categories)
- LIBMBD METHOD (3 categories)
- ISMEAR (3 categories)
- SCSRAD (3 categories)
- PROJCAR (3 categories)
- VCUTOFF (3 categories)
- LCHARGH5 (3 categories)
- MDALGO (3 categories)
- CMBJE (3 categories)
- NBANDSGW (3 categories)
- NBLOCK (3 categories)
- LIBMBD K GRID (3 categories)
- LDAUJ (3 categories)
- LH5 (3 categories)
- Band-structure calculation using hybrid functionals (3 categories)
- LVDW EWALD (3 categories)
- LTRIPLET (3 categories)
- EFERMI (3 categories)
- PHON NTLIST (3 categories)
- LANGEVIN GAMMA L (3 categories)
- Plot BSE fatbands (3 categories)
- LMAXFOCK (3 categories)
- LFOCKACE (3 categories)
- ALPHA VDW (3 categories)
- EVENONLY (3 categories)
- SMASS (3 categories)
- List of hybrid functionals (3 categories)
- Wxxxx.tmp (3 categories)
- DIPOL (3 categories)
- EFIELD (3 categories)
- ISPIN (3 categories)
- Many-body dispersion energy (3 categories)
- EPSILON (3 categories)
- LSPECTRALGW (3 categories)
- NSTORB (3 categories)
- VDW RADIUS (3 categories)
- LIBMBD N OMEGA GRID (3 categories)
- ANDERSEN PROB (3 categories)
- SMBJ (3 categories)
- NBANDS (3 categories)
- NBANDSO (3 categories)
- KBLOCK (3 categories)
- MINROT (3 categories)
- LIBMBD XC (3 categories)
- LDAUPRINT (3 categories)
- LSCAAWARE (3 categories)
- Coulomb singularity (3 categories)
- MP2 ground state calculation - Tutorial (3 categories)
- LTBOUNDLIBXC (3 categories)
- Available PAW potentials (3 categories)
- NLSPLINE (3 categories)
- PHON TLIST (3 categories)
- ANTIRES (3 categories)
- LMAXFOCKAE (3 categories)
- ML ABN (3 categories)
- GAMMA VDW (3 categories)
- OFIELD A (3 categories)
- VDW ALPHA (3 categories)
- NEDOS (3 categories)
- Hellmann-Feynman forces (3 categories)
- KPOINT BSE (3 categories)
- BSEPREC (3 categories)
- INIMIX (3 categories)
- NMAXFOCKAE (3 categories)
- FERWE (3 categories)
- VCAIMAGES (3 categories)
- VDW S6 (3 categories)
- QPOINTS (3 categories)
- RSMBJ (3 categories)
- NELECT (3 categories)
- NBANDSV (3 categories)
- LWAVE (3 categories)
- STEP SIZE (3 categories)
- LIBMBD TS D (3 categories)
- KPOINTS OPT NKBATCH (3 categories)
- Band-structure calculation using meta-GGA functionals (3 categories)
- CMBJ (3 categories)
- LSCALER0 (3 categories)
- Electron-phonon interactions theory (3 categories)
- ENCUTFOCK (3 categories)
- PRECFOCK (3 categories)
- PARAM1 (3 categories)
- OFIELD KAPPA (3 categories)
- EMIN (3 categories)
- GW and dielectric matrix (3 categories)
- NSW (3 categories)
- LADDER (3 categories)
- MIXPRE (3 categories)
- NOMEGAR (3 categories)
- FERDO (3 categories)
- VDW S8 (3 categories)
- LAECHG (3 categories)
- LBLUEOUT (3 categories)
- AMGGAX (3 categories)
- LREAL (3 categories)
- IMAGES (3 categories)
- LCHARG (3 categories)
- STEP MAX (3 categories)
- BSEHOLE (3 categories)
- IEPSILON (3 categories)
- CMBJA (3 categories)
- NpT ensemble (3 categories)
- ENCUTGW (3 categories)
- HFSCREEN (3 categories)
- ODDONLYGW (3 categories)
- PARAM2 (3 categories)
- OFIELD Q6 FAR (3 categories)
- NSIM (3 categories)
- CPARAM (3 categories)
- EMAX (3 categories)
- MP2 calculations (3 categories)
- SYMPREC (3 categories)
- Combining MPI and OpenMP (3 categories)
- LHARTREE (3 categories)
- Vaspwave.h5 (3 categories)
- WC (3 categories)
- HITOLER (3 categories)
- LSPECTRAL (3 categories)
- SAXIS (3 categories)
- SCALEE (3 categories)
- VDW CNRADIUS (3 categories)
- LTMP2 - Tutorial (3 categories)
- LHYPERFINE (3 categories)
- ZAB VDW (3 categories)
- SHAKETOL (3 categories)
- AMGGAC (3 categories)
- ROPT (3 categories)
- Nudged elastic bands (3 categories)
- SPRING (3 categories)
- Harris-Foulkes functional (3 categories)
- LIBMBD TS SR (3 categories)
- OMEGAMAX (3 categories)
- METAGGA (3 categories)
- Dipole corrections for defects in solids (3 categories)
- CMBJB (3 categories)
- ENCUTGWSOFT (3 categories)
- EDIFFG (3 categories)
- ML AB (3 categories)
- EVENONLYGW (3 categories)
- LTHOMAS (3 categories)
- Bethe-Salpeter-equations calculations (3 categories)
- Nonlocal vdW-DF functionals (3 categories)
- OFIELD Q6 NEAR (3 categories)
- BPARAM (3 categories)
- QSPIRAL (3 categories)
- Memory requirements (3 categories)
- LPLANE (3 categories)
- LWAVEH5 (3 categories)
- LASYNC (3 categories)
- AMIN (3 categories)
- Projector-augmented-wave formalism (3 categories)
- DYNMATFULL (3 categories)
- VDW A1 (3 categories)
- HFRCUT (3 categories)
- SHAKEMAXITER (3 categories)
- LUSENCCL (3 categories)
- ALDAX (3 categories)
- AEXX (3 categories)
- LIBMBD C6AU (3 categories)
- LNONCOLLINEAR (3 categories)
- ML HIS (3 categories)
- BSEELECTRON (3 categories)
- Blue-moon ensemble (3 categories)
- LSPIRAL (3 categories)
- LASPH (3 categories)
- NpH ensemble (3 categories)
- WAVECAR (3 categories)
- GGA (3 categories)
- LEPSILON (3 categories)
- LATTICE CONSTRAINTS (3 categories)
- HFALPHA (3 categories)
- LZEROZ (3 categories)
- Not enough memory (3 categories)
- LSCALU (3 categories)
- LRHFCALC (3 categories)
- MAXMIX (3 categories)
- LOCPOT (3 categories)
- WRT POTENTIAL (3 categories)
- VDW A2 (3 categories)
- LEFG (3 categories)
- HILLS H (3 categories)
- LVDWSCS (3 categories)
- LVGVCALC (3 categories)
- AGGAX (3 categories)
- NWRITE (3 categories)
- LIBMBD R0AU (3 categories)
- ML FF (3 categories)
- LIBMBD MBD A (3 categories)
- LMAXTAU (3 categories)
- LFXC (3 categories)
- CHGCAR (3 categories)
- HFLMAX (3 categories)
- ADDGRID (3 categories)
- CONTCAR (3 categories)
- LOPTICS (3 categories)
- LUSE VDW (3 categories)
- NBSEEIG (3 categories)
- Preconditioning (3 categories)
- LSCALAPACK (3 categories)
- LMAXMIX (3 categories)
- LCORR (3 categories)
- Vaspout.h5 (3 categories)
- LDAU (3 categories)
- LMODELHF (3 categories)
- VDW SR (3 categories)
- NVT ensemble (3 categories)
- QUAD EFG (3 categories)
- Electron-phonon interactions from Monte-Carlo sampling (3 categories)
- HILLS W (3 categories)
- LVGVAPPL (3 categories)
- AGGAC (3 categories)
- LIBMBD PARALLEL MODE (3 categories)
- NKREDX (3 categories)
- ML FFN (3 categories)
- LIBMBD MBD BETA (3 categories)
- LMAXPAW (3 categories)
- LMP2LT (3 categories)
- BSEFATBAND (3 categories)
- Vaspin.h5 (3 categories)
- LDAUTYPE (3 categories)
- Matsubara formalism (3 categories)
- VDW D (3 categories)
- LCHIMAG (3 categories)
- PHON LMC (3 categories)
- HILLS BIN (3 categories)
- NVE ensemble (3 categories)
- ALDAC (3 categories)
- ZVAL (3 categories)
- LTSSURF (3 categories)
- NKREDY (3 categories)
- ML LOGFILE (3 categories)
- IDIPOL (3 categories)
- DFT-ulg (3 categories)
- IVDW (3 categories)
- AMIX (3 categories)
- LNABLA (3 categories)
- LVDWEXPANSION (3 categories)
- NCORE (3 categories)
- IVDW NL (3 categories)
- LSELFENERGY (3 categories)
- MAGMOM (3 categories)
- ML LAFILT2 (2 categories)
- Practical considerations for transition state finding calculations (2 categories)
- LKPOINTS OPT (2 categories)
- INCREM (2 categories)
- ML LBASIS DISCARD (2 categories)
- NERSC Berkeley 2016 (2 categories)
- FBIAS R0 (2 categories)
- PHON DIELECTRIC (2 categories)
- Makefile.include.gnu ompi aocl omp (2 categories)
- ML EATOM REF (2 categories)
- ICAMM Rennes 2016 (2 categories)
- CSVR PERIOD (2 categories)
- XDATCAR (2 categories)
- Calculation of atoms (2 categories)
- LWRITE MMN AMN (2 categories)
- NPAR (2 categories)
- Makefile.include.nvhpc ompi mkl omp (2 categories)
- PHON BORN CHARGES (2 categories)
- NELMIN (2 categories)
- LVHAR (2 categories)
- Time-dependent density-functional theory calculations (2 categories)
- ML IAFILT2 (2 categories)
- PFLAT (2 categories)
- PROCAR OPT (2 categories)
- Phonons from density-functional-perturbation theory (2 categories)
- FBIAS A (2 categories)
- ML ICRITERIA (2 categories)
- VOSKOWN (2 categories)
- NGXF (2 categories)
- VASP workshop 2003 (2 categories)
- Validation tests (2 categories)
- PHON NEDOS (2 categories)
- Makefile.include.gnu ompi mkl omp (2 categories)
- Personal computer installation (2 categories)
- ML NRANK SPARSDES (2 categories)
- VASP workshop (2 categories)
- KGAMMA (2 categories)
- ML MCONF NEW (2 categories)
- EIGENVAL (2 categories)
- ESTOP (2 categories)
- Makefile.include.nvhpc ompi mkl omp acc (2 categories)
- LPHON DISPERSION (2 categories)
- IALGO (2 categories)
- Direct optimization of the orbitals (2 categories)
- ML RDES SPARSDES (2 categories)
- ML AFILT2 (2 categories)
- FINDIFF (2 categories)
- LSUBROT (2 categories)
- NHC NRESPA (2 categories)
- LNMR SYM RED (2 categories)
- ENINI (2 categories)
- Machine learning force field calculations: Basics (2 categories)
- NGYF (2 categories)
- Molecular dynamics calculations (2 categories)
- Makefile.include.intel (2 categories)
- LWEIGHTED (2 categories)
- ML LFAST (2 categories)
- ISTART (2 categories)
- KSPACING (2 categories)
- ML MHIS (2 categories)
- IBZKPT (2 categories)
- LVACPOTAV (2 categories)
- SIGMA (2 categories)
- Energy vs volume Volume relaxations and Pulay stress (2 categories)
- ML DESC TYPE (2 categories)
- Makefile.include.fujitsu a64fx (2 categories)
- PHON NWRITE (2 categories)
- Self-consistency cycle (2 categories)
- ML MRB1 (2 categories)
- ML LCOUPLE (2 categories)
- LORBMOM (2 categories)
- PMASS (2 categories)
- POT (2 categories)
- FBIAS D (2 categories)
- LSEPB (2 categories)
- IRC DIRECTION (2 categories)
- NGZF (2 categories)
- TEBEG (2 categories)
- OUTCAR (2 categories)
- Makefile.include.intel omp (2 categories)
- LDISENTANGLED (2 categories)
- ML IERR (2 categories)
- INIWAV (2 categories)
- ML NMDINT (2 categories)
- DOSCAR (2 categories)
- VACPOTFLAT (2 categories)
- LSCDM (2 categories)
- LKPROJ (2 categories)
- Energy cut off and FFT mesh (2 categories)
- RANDOM SEED (2 categories)
- ML MRB2 (2 categories)
- ML NATOM COUPLED (2 categories)
- Nuclephile Substitution CH3Cl - mMD2 (2 categories)
- VALUE MAX (2 categories)
- Phonons: Theory (2 categories)
- LTEMPER (2 categories)
- ML SIGV0 (2 categories)