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yambo_shg.in
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#
# __ __ _ __ __ ____ U ___ u
# \ \ / / U /"\ U u |" \/ "| u U | __") u \/"_ \/
# \ V / \/ _ \/ \| |\/| |/ \| _ \/ | | | |
# U_|"|_u / ___ \ | | | | | |_) | .-,_| |_| |
# |_| /_/ \_\ |_| |_| |____/ \_)-\___/
# .-,//|(_ \\ >> <<,-,,-. _|| \\_ \\
# \_) (__) (__) (__) (./ \.) (__) (__) (__)
#
#
# Version 5.0.4 Revision 19595 Hash 896bffc02
# Branch is
# MPI+OpenMP+HDF5_IO Build
# http://www.yambo-code.org
#
nloptics # [R] Non-linear spectroscopy
% NLBands
3 | 6 | # [NL] Bands range
%
NLverbosity= "high" # [NL] Verbosity level (low | high)
NLtime=-1.000000 fs # [NL] Simulation Time
NLintegrator= "INVINT" # [NL] Integrator ("EULEREXP/RK2/RK4/RK2EXP/HEUN/INVINT/CRANKNIC")
NLCorrelation= "IPA" # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX")
NLLrcAlpha= 0.000000 # [NL] Long Range Correction
% NLEnRange
1.00000 | 2.000000 | eV # [NL] Energy range
%
NLEnSteps= 10 # [NL] Energy steps
NLDamping= 0.1500000 eV # [NL] Damping (or dephasing)
#EvalCurrent # [NL] Evaluate the current
HARRLvcs= 965 RL # [HA] Hartree RL components
EXXRLvcs= 965 RL # [XX] Exchange RL components
% ExtF_Dir
0.000000 | 1.000000 | 0.000000 |# [NL ExtF] Field Versor
%
ExtF_kind= "SOFTSIN" # [NL ExtF] Kind(SIN|SOFTSIN|RES|ANTIRES|GAUSS|DELTA|QSSIN)
GfnQPdb= "none" # [EXTQP G] Database action
GfnQP_INTERP_NN= 1 # [EXTQP G] Interpolation neighbours (NN mode)
GfnQP_INTERP_shells= 20.00000 # [EXTQP G] Interpolation shells (BOLTZ mode)
GfnQP_DbGd_INTERP_mode= "NN" # [EXTQP G] Interpolation DbGd mode
% GfnQP_E
0.500000 | 1.000000 | 1.000000 | # [EXTQP G] E parameters (c/v) eV|adim|adim
%
GfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP G] Z factor (c/v)
GfnQP_Wv_E= 0.000000 eV # [EXTQP G] W Energy reference (valence)
% GfnQP_Wv
0.000000 | 0.000000 | 0.000000 | # [EXTQP G] W parameters (valence) eV| 1|eV^-1
%
GfnQP_Wv_dos= 0.000000 eV # [EXTQP G] W dos pre-factor (valence)
GfnQP_Wc_E= 0.000000 eV # [EXTQP G] W Energy reference (conduction)
% GfnQP_Wc
0.000000 | 0.000000 | 0.000000 | # [EXTQP G] W parameters (conduction) eV| 1 |eV^-1
%
GfnQP_Wc_dos= 0.000000 eV # [EXTQP G] W dos pre-factor (conduction)
NLogCPUs=10 # [PARALLEL] Live-timing CPU`s (0 for all)
PAR_def_mode= "balanced" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")
DIP_CPU= "4 6 2" # [PARALLEL] CPUs for each role
DIP_ROLEs= "k c v" # [PARALLEL] CPUs roles (k,c,v)
DIP_Threads=0 # [OPENMP/X] Number of threads for dipoles
NL_CPU= "1 48" # [PARALLEL] CPUs for each role
NL_ROLEs= "w k" # [PARALLEL] CPUs roles (w,k)
NL_Threads=0 # [OPENMP/NL] Number of threads for nl-optics