Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
--
DFT+U
--
PCM
--
Poisson
--
XC
---
DensityCorrection
--- DFTULevel
--- HFSingularity
--- HFSingularityNk
--- HFSingularityNsteps
--- Interaction1D
--- Interaction1DScreening
--- KLIPhotonCOC
--- libvdwxcDebug
--- libvdwxcMode
--- libvdwxcVDWFactor
--- OEPLevel
--- OEPMixing
--- OEPMixingScheme
--- PhotonModes
--- SICCorrection
--- VDW_TS_cutoff
--- VDW_TS_damping
--- VDW_TS_sr
--- VDWCorrection
--- VDWD3Functional
--- VDWSelfConsistent
--- Xalpha
--- XCFunctional
--- XCKernel
--- XCKernelLRCAlpha
--- XCUseGaugeIndependentKED
-- AdaptivelyCompressedExchange
-- CalculateSelfInducedMagneticField
-- CurrentDensity
-- EnablePhotons
-- EwaldAlpha
-- ExternalCurrent
-- FilterPotentials
-- ForceTotalEnforce
-- GaugeFieldDelay
-- GaugeFieldDynamics
-- GaugeFieldPropagate
-- GaugeVectorField
-- GyromagneticRatio
-- MagneticConstrain
-- MagneticConstrainStrength
-- MaxwellCouplingMode
-- MaxwellDipoleField
-- MaxwellHamiltonianOperator
-- MaxwellMediumCalculation
-- ParticleMass
-- RashbaSpinOrbitCoupling
-- RelativisticCorrection
-- RiemannSilbersteinSign
-- SOStrength
-- StaticElectricField
-- StaticMagneticField
-- StaticMagneticField2DGauge
-- TheoryLevel
-- TimeZero
-
Linear Response
-
Math
-
Maxwell
-
MaxwellStates
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
libvdwxcMode
libvdwxcMode
Section Hamiltonian::XC
Type integer
Whether libvdwxc should run with serial fftw3, fftw3-mpi, or pfft.
to specify fftw3-mpi in serial for debugging.
pfft is not implemented at the moment.
Options :
libvdwxc_mode_auto :
Use serial fftw3 if actually running in serial, else fftw3-mpi.
libvdwxc_mode_serial :
Run with serial fftw3. Works only when not parallelizing over domains.
libvdwxc_mode_mpi :
Run with fftw3-mpi. Works only if Octopus is compiled with MPI.
Source information
hamiltonian/libvdwxc.F90 : 171
call parse_variable ( namespace , 'libvdwxcMode' , LIBVDWXC_MODE_AUTO , libvdwxc_mode )