Skip to content

Polaron

Description: TBD

Introduction

TBD

compulsory:

  • vpq_pkind Variational Polaron eQuations: Polaron KIND

basic:

  • getvpq GET the VPQ.nc from dataset
  • getvpq_filepath GET the VPQ.nc from FILEPATH
  • vpq_aseed Variational Polaron eQuations: A_nk-coefficients SEED
  • vpq_avg_g Variational Polaron eQuations: AVeraGe matrix-elements at Gamma
  • vpq_gpr_energy Variational Polaron eQuations: Gaussian PaRameters – electronic ENERGY
  • vpq_gpr_length Variational Polaron eQuations: Gaussian PaRameters – localization LENGTH
  • vpq_interp Variational Polaron eQuations: INTERPolation
  • vpq_mesh_fact Variational Polaron eQuations: SCALE MESH for polaron wavefunction
  • vpq_nstates Variational Polaron eQuations: Number of polaronic STATES
  • vpq_nstep Variational Polaron eQuations: Number of iteration STEPs
  • vpq_nstep_ort Variational Polaron eQuations: Number of STEPs with ORThogonalisation
  • vpq_select Variational Polaron eQuations: SELECT polaronic state
  • vpq_tolgrs Variational Polaron eQuations: TOLerance on the Gradient ReSidual
  • vpq_translate Variational Polaron eQuations: TRANSLATE solutions
  • vpq_trvec Variational Polaron eQuations: TRanslation VECtor

expert:

Selected Input Files

No input file associated to this topic.

Tutorials

TBD.