Category:VASP: Difference between revisions

• Electronic ground-state properties
• Ensemble properties

A

• ACFDT
• Constrained-random-phase approximation
• Low-scaling GW and RPA
• Advanced molecular-dynamics sampling

B

• Band structure
• Berry phases
• Bethe-Salpeter equations

C

• Calculation setup
• Common Pitfalls
• Constrained molecular dynamics

D

• Defects
• Density mixing
• Density of states
• Dielectric properties

E

• Electronic minimization
• Examples
• Exchange-correlation functionals

F

• Files
• Forces

G

• GPU
• GW

H

• HDF5 support
• Howto
• Hybrid functionals

I

• INCAR tag
• Input files
• Installation
• Ionic minimization

L

• DFT+U
• Linear response

M

• Development version
• Machine-learned force fields
• Magnetism
• Many-body perturbation theory
• Memory
• Molecular Dynamics
• Molecular dynamics
• Atoms and Molecules
• Monopole Dipole and Quadrupole Corrections
• MP2

N

• Noncollinear magnetism

O

• Output files

P

• Parallelization
• Phonons
• Programming

S

• Slow-growth approach
• Spin spirals
• Spin-orbit coupling

T

• Performance
• Thermodynamic integration
• Thermostats
• Transition states
• Tutorials

V

• Van der Waals functionals

W

• Wannier functions
• Workshops

X

• XAS

C

• Combining MPI and OpenMP
• Compiler options
• CUDA-C GPU port of VASP

D

• Electron-energy-loss spectrum

I

• ICAMM Rennes 2016
• Installing VASP.5.X.X
• Installing VASP.6.X.X

K

• Known issues
• Talk:Known issues
• KPOINTS
• KPOINTS OPT
• KPOINTS OPT NKBATCH
• KPOINTS WAN

L

• Lectures and presentations
• Linking to libraries
• LKPOINTS OPT
• Low-scaling GW: The space-time formalism

M

• Makefile.include
• Makefile.include.aocc ompi aocl
• Makefile.include.aocc ompi aocl omp
• Makefile.include.fujitsu a64fx
• Makefile.include.fujitsu a64fx omp
• Makefile.include.gnu
• Makefile.include.gnu omp
• Makefile.include.gnu ompi aocl
• Makefile.include.gnu ompi aocl omp
• Makefile.include.gnu ompi mkl omp
• Makefile.include.intel
• Makefile.include.intel omp
• Makefile.include.intel ompi mkl omp
• Makefile.include.intel serial
• Makefile.include.linux intel
• Makefile.include.nec aurora
• 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

N

• NERSC Berkeley 2016

O

• OpenACC GPU port of VASP

P

• Personal computer installation
• Plot BSE fatbands
• Plotting exciton wavefunction
• Precompiler options
• Profiling
• PROJCAR

Q

• QPOINTS

S

• Shared memory

T

• Toolchains

V

• Validation tests
• VASP workshop
• VASP workshop 2003