N

Name NCentroidPoints
Section ISDF
Type integer
Default 10*Nocc

The total number of interpolation points used in ISDF density fitting. This number should be considerably smaller than the number of grid points. By default, Octopus sets the number of interpolation points to 10x the number of occupied states.

Name NDimModelmb
Section States::ModelMB
Type integer
Default 1

Number of dimensions for modelmb space. Full Ndim = NDimModelmb*NParticleModelmb

Name NDSFATimeIntegrationStep
Section Hamiltonian
Type float
Default 0.01

Timestep for the integration of the NDSFA first order response numerically as prescribed in Phys. Rev. A 101, 043408 (2020). Typically needs to be an order of magniude less than the TDtimestep. However, for writing "laser" the TDtimestep is used instead.

Name NFFTCutoff
Section Mesh::FFTs
Type integer
Default 6

Cut-off parameter of the window function. See NFFT manual for details.

Name NFFTGuruInterface
Section Mesh::FFTs
Type logical
Default false

Perform NFFT with guru interface. This permits the fine tuning of several critical parameters.

Name NFFTOversampling
Section Mesh::FFTs
Type float
Default 2

NFFT oversampling factor (sigma). This will rule the size of the FFT under the hood.

Name NFFTPrecompute
Section Mesh::FFTs
Type integer
Default NFFT_PRE_PSI

NFFT precomputation strategy.

Options:

• NFFT_PRE_LIN_PSI:
  This method implements a linear interpolation from a lookup table.
  
• NFFT_PRE_PSI:
  This method uses a medium amount of memory to store d*(2*m+1)*M real numbers and requires at most 2(2m + 1)d extra multiplications for each node. This is the default option.
  
• NFFT_PRE_FULL_PSI:
  Is the fastest method but requires a large amount of memory as it requires to store (2*m+1)^d*M real numbers. No extra operations are needed during matrix vector multiplication.
  

Name NLOperatorCompactBoundaries
Section Execution::Optimization
Type logical
Default no

(Experimental) When set to yes, for finite systems Octopus will map boundary points for finite-differences operators to a few memory locations. This increases performance, however it is experimental and has not been thoroughly tested.

Name NParticleModelmb
Section States::ModelMB
Type integer
Default 0

Number of particles in modelmb space. Full Ndim = NDimModelmb*NParticleModelmb

Name NTypeParticleModelmb
Section States::ModelMB
Type integer
Default 1

Number of different types of particles in modelmb space.

Name NumberOfReplicas
Section System
Type integer
Default 1

Number of replicas to be created for the ensemble.