That's what I am trying to do now. But I think for TDDFT lrc is not supported in eh space! we can do ALDA in transition space. Right? but I am not using LDA from the beginning...
And when I run yambo -F filename -o b -k ip, the input file is generated for BSE!
Code: Select all
# GPL Version 4.5.0 Revision 9122. (Based on r.17089 h.6b5c70e8d)
#
# MPI+SLK+OpenMP Build
# http://www.yambo-code.org
#
optics # [R OPT] Optics
bse # [R BSE] Bethe Salpeter Equation.
tddft # [R K] Use TDDFT kernel
NLogCPUs=0 # [PARALLEL] Live-timing CPU`s (0 for all)
PAR_def_mode= "balanced" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")
BS_CPU= "" # [PARALLEL] CPUs for each role
BS_ROLEs= "" # [PARALLEL] CPUs roles (k,eh,t)
BS_nCPU_LinAlg_INV= 1 # [PARALLEL] CPUs for Linear Algebra
BS_nCPU_LinAlg_DIAGO= 1 # [PARALLEL] CPUs for Linear Algebra
DIP_CPU= "1 4 1" # [PARALLEL] CPUs for each role
DIP_ROLEs= "k c v" # [PARALLEL] CPUs roles (k,c,v)
X_Threads=0 # [OPENMP/X] Number of threads for response functions
DIP_Threads=0 # [OPENMP/X] Number of threads for dipoles
K_Threads=0 # [OPENMP/BSK] Number of threads for response functions
BSEmod= "retarded" # [BSE] resonant/retarded/coupling
BSKmod= "IP" # [BSE] IP/Hartree/HF/ALDA/SEX
BSENGexx= 20 Ry # [BSK] Exchange components
% BSEBands
50 | 350 | # [BSK] Bands range
%
Thanks,