EPS-Re[3] column is always 1 in 5.0.4
Posted: Sat Feb 26, 2022 8:16 pm
Hi!
I am using the recent version 5.0.4 and I see this strange unity coloumn: The EPS-Re[3] column is always 1. I am using the BN 2D with Coulomb cut-off for testing purpose. Is this a bug? The older 4.X do not show this. The 5.0.4 output is like:
I am using the recent version 5.0.4 and I see this strange unity coloumn: The EPS-Re[3] column is always 1. I am using the BN 2D with Coulomb cut-off for testing purpose. Is this a bug? The older 4.X do not show this. The 5.0.4 output is like:
Code: Select all
# Absorption @ Q(1): 0.707106781E-5 0.707106781E-5 0.00000000 [q->0 direction]
#
# [GEN] GF Energies : Slater exchange(X)+Perdew & Zunger(C)
# [GEN] Wavefunctions : Slater exchange(X)+Perdew & Zunger(C)
# [GEN] Green`s Function : Resonant
# [GEN] Gauge : Length
# [GEN] [r,Vnl] included : yes
#
# DIP band range : 2 7
# DIP band range limits : 4 5
# DIP e/h energy range : -1.00000000 -1.00000000 [eV]
# RL vectors in the sum : 17229
# [r,Vnl] included : yes
# Bands ordered : yes
# Direct v evaluation : no
# Approach used : G-space v
# Dipoles computed : R V P
# Wavefunctions : Slater exchange(X)+Perdew & Zunger(C)
#
#
#
# [K] Identifier : 8920
# [K] Dimension : 1296
# [K] Bands : 2 7
# [K] Exchange : yes
# [K] Correlation : yes
# [K] Kernel`s coupling : no
# [K] Exchange : no
# [K] Correlation : no
# [K] W interaction is bare : no
# [K] ALDA kernel in R-space : no
# [K] RL vectors : 17385 [exchange]
# [K] RL vectors : 111 [correlation]
# [K] E/h energy range : -1.00000000 -1.00000000 [eV]
# [K] Coupling range : 100.000000 100.000000 [o/o]
# [W] Interaction is diagonal : no
# [W] Matrix size : 111
# [W] Bands : 1 100
# [W] e/h energy range : -1.00000000 -1.00000000 [eV]
# [W] Poles : 100.000000 [o/o]
# [W] RL vectors in the sum : 17229
# [W] [r,Vnl] included : yes
# [W] Field direction : 0.707106781E-5 0.707106781E-5 0.00000000
# [W] Coulomb Cutoff : box z
# [W] xc-Kernel : none
# [RIM] RL components : 111 [col]
# [RIM] Random points : 1000000 [col]
# [SOC] Perturbative SOC : no
#
# Diamagnetic term
# A [nel] A0[nel]
#: 0.00000000 -7.99999997
#
# E/ev[1] EPS-Im[2] EPS-Re[3] EPSo-Im[4] EPSo-Re[5]
#
0.0000000 0.11069849E-09 1.0000000 0.45363860E-10 1.0000000
0.14028056E-01 0.11123339E-09 1.0000000 0.45501625E-10 1.0000000
0.28056112E-01 0.11177226E-09 1.0000000 0.45640035E-10 1.0000000
0.42084168E-01 0.11231515E-09 1.0000000 0.45779095E-10 1.0000000
0.56112224E-01 0.11286209E-09 1.0000000 0.45918808E-10 1.0000000
0.70140281E-01 0.11341312E-09 1.0000000 0.46059178E-10 1.0000000
0.84168337E-01 0.11396829E-09 1.0000000 0.46200210E-10 1.0000000
0.98196393E-01 0.11452763E-09 1.0000000 0.46341908E-10 1.0000000
0.11222445 0.11509120E-0