Format

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|
%