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ypp_GW.in
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#
# ____ ____ _ ____ ____ ______ ___
# |_ _||_ _| / \ |_ \ / _||_ _ \ ." `.
# \ \ / / / _ \ | \/ | | |_) | / .-. \
# \ \/ / / ___ \ | |\ /| | | __". | | | |
# _| |_ _/ / \ \_ _| |_\/_| |_ _| |__) |\ `-" /
# |______||____| |____||_____||_____||_______/ `.___."
#
#
#
# Version 5.0.4 Revision 19598 Hash 20b2ffa04
# Branch is master
# MPI+HDF5_IO Build
# http://www.yambo-code.org
#
electrons # [R] Electronic properties
infver # [R] Input file variables verbosity
bnds # [R] Bands
PROJECT_mode= "none" # Instruct ypp how to project the DOS. ATOM, LINE, PLANE.
INTERP_mode= "NN" # Interpolation mode (NN=nearest point, BOLTZ=boltztrap aproach)
INTERP_Shell_Fac= 20.00000 # The bigger it is a higher number of shells is used
INTERP_NofNN= 1 # Number of Nearest sites in the NN method
OutputAlat= 0.000000 # [a.u.] Lattice constant used for "alat" ouput format
cooIn= "rlu" # Points coordinates (in) cc/rlu/iku/alat
cooOut= "rlu" # Points coordinates (out) cc/rlu/iku/alat
% BANDS_bands
1 | 10 | # Number of bands
%
CIRCUIT_E_DB_path= "none" # SAVE obtained from the QE `bands` run (alternative to %BANDS_kpts)
BANDS_path= "" # High-Symmetry points labels (G,M,K,L...) also using composed positions (0.5xY+0.5xL).
BANDS_steps= 10 # Number of divisions
#BANDS_built_in # Print the bands of the generating points of the circuit using the nearest internal point
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
0.000000 | 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)
%BANDS_kpts # K points of the bands circuit
0.00 |0.00 |0.00 |
0.666 |-0.333 |0.000 |
0.50 |0.00 |0.00 |
0.00 |0.00 |0.00 |
%