Practical guide to GW calculations

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Frequency dependent GW calculations

Available as of VASP.5.X. For details on the implementation and use of the GW routines we recommend the following references: Ref. [1], [2], [3], [4].


Subsections

  • ALGO for response functions and GW calculations
  • LMAXFOCKAE
  • NOMEGA, NOMEGAR number of frequency points
  • LSPECTRAL: use the spectral method
  • OMEGAMAX, OMEGATL and {TAG|CSHIFT}}
  • ENCUTGW energy cutoff for response function
  • ENCUTGWSOFT soft cutoff for Coulomb kernel
  • ODDONLYGW and EVENONLYGW: reducing the -grid for the response functions
  • LSELFENERGY: the frequency dependent self energy
  • LWAVE: selfconsistent GW
  • Recipe for GW calculations: G0W0
  • Recipe for selfconsistent GW calculations: scGW
  • Recipe for partially selfconsistent GW calculations: GW0
  • Using the GW routines for the determination of frequency dependent dielectric matrix: DM
  • scGW caveat

References


Howto's