Format

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Formats

  • Integer: integer value, may also take a Unit
BEnSteps= 100                  # [BSS] Energy steps
EXXRLvcs=  3187        RL      # [XX] Exchange    RL components
  • Real = real value, may also take a Unit
LRC_alpha= 0.000000
PPAPntXp= 27.21138     eV      # [Xp] PPA imaginary energy
  • Complex = (real part , imag part )
DrudeWBS= ( 0.00     , 0.00     )  eV  # [BSE] Drude plasmon
  • String = string (in double quotes). May contain a list of options, depending on the variable
PAR_def_mode= "balanced"
DBsFRAGpm= "+DIP +X -W"              # [IO] Space-separated list of +DB to FRAG and -DB to NOT FRAG
PAR_= "64.2.4"   # (q.v.b)
  • Flag: uncomment to activate (on/off)
#ExtendOut                     # [GW] Print all variables in the output file
  • Vector: specified in Cartesian coordinates [cc]
% LongDrXp
1.000000 | 1.000000 | 0.500000 |        # [Xp] [cc] Electric Field
%
  • Scissors: a combination of a rigid shift plus VB and CB stretches (three real numbers). Units are: (Energy | none | none )
% GfnQP_E
0.000000 | 1.000000 | 1.000000 |        # [EXTQP G] E parameters  (c/v) eV|adim|adim
%
  • Range: appear in various formats, typically (Lower limit | Upper limit) in the specified Unit or integer/real values
% QpntsRXd
1 | 14 |                     # [Xd] Transferred momenta
%
% EhEngyXp
-1.000000 |-1.000000 | eV      # [Xp] Electron-hole energy range
%
  • Double Ranges can be a mixture of integer indices and real values
%QPkrange                      # # [GW] QP generalized Kpoint/Band indices
1|14|1|100|
%
%QPerange                      # # [GW] QP generalized Kpoint/Energy indices
1|14| 0.000000|-1.000000|
%