FrequencyMeshMBPT

This page gives hints on how to define frequency meshes (on the imaginary and real axes) for MBPT calculations with the ABINIT package.

Introduction

In the contour deformation technique, and other cases, one has to define a set of frequencies on which different numerical operations will be performed (computation of susceptibility matrices, integration along the real+imaginary axes). In the present topic, the input variables connected to such definitions are gathered.

Related Input Variables

basic:

• freqremax FREQuencies along the Real axis MAXimum
• freqremin FREQuencies along the Real axis MINimum
• nfreqim Number of FREQuencies along the IMaginary axis
• nfreqmidm Nth FREQuency Moment of the Imaginary part of the Dielectric Matrix
• nfreqre Number of FREQuencies along the REal axis

expert:

• cd_customnimfrqs Contour Deformation CUSTOM IMaginary FReQuencieS
• cd_frqim_method Contour Deformation FReQuency integration on IMaginary axis Method
• cd_full_grid Contour Deformation FULL GRID in complex plane
• cd_halfway_freq Contour Deformation tangent grid HALFWAY FREQuency
• cd_imfrqs Contour Deformation IMaginary FReQuencieS
• cd_max_freq Contour Deformation grid MAXimum FREQuency
• cd_subset_freq Contour Deformation grid calculate SUBSET of FREQuencies
• gw_customnfreqsp GW CUSTOM FREQuencies for SPectral function
• gw_freqsp GW SPectral FREQuencies
• gw_frqim_inzgrid GW Contour Deformation FReQuencies on IMaginary axis Inverse Z Grid
• gw_frqre_inzgrid GW Contour Deformation FReQuencies on REal axis Inverse Z Grid
• gw_frqre_tangrid GW Contour Deformation FReQencies on REal axis - Use Tangent Grid

Selected Input Files

No input file associated to this topic.

Tutorials

• The second tutorial on GW deals with the computation of the quasi-particle band structure of Aluminum, in the GW approximation (so, much better than the Kohn-Sham LDA band structure) without using the plasmon-pole model.