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===Formats=== | ===Formats=== | ||
* Integer | *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 | |||
* Real = real value | LRC_alpha= 0.000000 | ||
PPAPntXp= 27.21138 eV # [Xp] PPA imaginary energy | |||
* Complex = (real part , imag part ) | * Complex = (real part , imag part ) | ||
DrudeWBS= ( 0.00 , 0.00 ) eV # [BSE] Drude plasmon | |||
* String = string | * String = string (in double quotes). May contain a list of options, depending on the variable | ||
PAR_def_mode= "balanced" | |||
* Range | DBsFRAGpm= "+DIP +X -W" # [IO] Space-separated list of +DB to FRAG and -DB to NOT FRAG | ||
PAR_= "64.2.4" # (q.v.b) | |||
* Logical: uncomment to activate | |||
#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 | % QpntsRXd | ||
1 | 14 | # [Xd] Transferred momenta | 1 | 14 | # [Xd] Transferred momenta | ||
| Line 17: | Line 29: | ||
-1.000000 |-1.000000 | eV # [Xp] Electron-hole energy range | -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 | %QPkrange # # [GW] QP generalized Kpoint/Band indices | ||
1|14|1|100| | 1|14|1|100| | ||
| Line 23: | Line 36: | ||
1|14| 0.000000|-1.000000| | 1|14| 0.000000|-1.000000| | ||
% | % | ||
Revision as of 14:51, 1 November 2019
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)
- Logical: uncomment to activate
#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| %