Difference between revisions of "Format"

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===Formats===
===Formats===
* Integer = integer value
* Integer = integer value
DIP_Threads=0                  # [OPENMP/X] Number of threads for dipoles
:: EXXRLvcs=  3187        RL      # [XX] Exchange    RL components
:: <code>StdoHash =  40</code>
:: <code>StdoHash =  40</code>
* Real = real value
* Real = real value
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* Range = Lower limit | Upper limit (in the specified Unit or integer values)
* Range = Lower limit | Upper limit (in the specified Unit or integer values)
  % QpntsRXd
  % QpntsRXd
  1 | 14 |                    # [Xd] Transferred momenta
1 | 14 |                    # [Xd] Transferred momenta
%
% EhEngyXp
-1.000000 |-1.000000 | eV      # [Xp] Electron-hole energy range
%
%QPkrange                      # # [GW] QP generalized Kpoint/Band indices
1|14|1|100|
%
%QPerange                      # # [GW] QP generalized Kpoint/Energy indices
1|14| 0.000000|-1.000000|
%
* Scissors = (Shift | CB stretch | VB stretch) with units: (Energy | Real | Real)
% GfnQP_E
0.000000 | 1.000000 | 1.000000 |        # [EXTQP G] E parameters  (c/v) eV|adim|adim
  %
  %
* Scissors = <code>Shift | CB stretch | VB stretch |</code> (Energy | Real | Real)
* Logical = uncommented=.true.
* Logical = uncommented=.true.
* Vector = <code>x | y | z  |</code> (in Cartesian coordinates, sandwiched by %)
#ExtendOut                    # [GW] Print all variables in the output file
* Vector = x | y | z  | (in Cartesian coordinates)
% LongDrXp
1.000000 | 0.000000 | 0.000000 |        # [Xp] [cc] Electric Field
%
Ranges can also be split on multiple lines.
Ranges can also be split on multiple lines.

Revision as of 13:45, 1 November 2019

Formats

  • Integer = integer value

DIP_Threads=0 # [OPENMP/X] Number of threads for dipoles

EXXRLvcs= 3187 RL # [XX] Exchange RL components
StdoHash = 40
  • Real = real value
LRC_alpha= 0.000000
  • Complex = (real part , imag part )
Drude
  • String = string
PAR_def_mode= "balanced"
  • Range = Lower limit | Upper limit (in the specified Unit or integer values)
% QpntsRXd
1 | 14 |                     # [Xd] Transferred momenta
%
% EhEngyXp
-1.000000 |-1.000000 | eV      # [Xp] Electron-hole energy range
%
%QPkrange                      # # [GW] QP generalized Kpoint/Band indices
1|14|1|100|
%
%QPerange                      # # [GW] QP generalized Kpoint/Energy indices
1|14| 0.000000|-1.000000|
%
  • Scissors = (Shift | CB stretch | VB stretch) with units: (Energy | Real | Real)
% GfnQP_E
0.000000 | 1.000000 | 1.000000 |        # [EXTQP G] E parameters  (c/v) eV|adim|adim
%
  • Logical = uncommented=.true.
#ExtendOut                     # [GW] Print all variables in the output file
  • Vector = x | y | z | (in Cartesian coordinates)
% LongDrXp
1.000000 | 0.000000 | 0.000000 |        # [Xp] [cc] Electric Field
%

Ranges can also be split on multiple lines.