Dear Yambo users,

I had a Yambo calculation that died at the end of the calculation for Xo at different q points. When I restart the calculation, however, it reads correctly the dipoles, but it starts the calculations for X all over again even though the input file is the same

In particular the following line appears in the second run

*ERR* PPA Im energy [ev]: 1.000000

When it attempts to read ndb.pp_fragment_1 and ndb.pp_fragment_2

I was wondering if it is not possible to restart the calculation from this point. I am using Yambo GPL Version 4.2.0 Revision 109.

Regards

Alex

gw0 # [R GW] GoWo Quasiparticle energy levels

ppa # [R Xp] Plasmon Pole Approximation

rim_cut # [R RIM CUT] Coulomb potential

HF_and_locXC # [R XX] Hartree-Fock Self-energy and Vxc

em1d # [R Xd] Dynamical Inverse Dielectric Matrix

X_Threads=1 # [OPENMP/X] Number of threads for response functions

DIP_Threads=1 # [OPENMP/X] Number of threads for dipoles

SE_Threads=1 # [OPENMP/GW] Number of threads for self-energy

EXXRLvcs= 20 Ry # [XX] Exchange RL components

X_all_q_CPU= "1 1 1 14" # [PARALLEL] CPUs for each role

X_all_q_ROLEs= "q k c v" # [PARALLEL] CPUs roles (q,k,c,v)

X_all_q_nCPU_invert=4 # [PARALLEL] CPUs for matrix inversion

SE_CPU= "1 7 2" # [PARALLEL] CPUs for each role

SE_ROLEs= "q qb b" # [PARALLEL] CPUs roles (q,qp,b)

Chimod= "Hartree" # [X] IP/Hartree/ALDA/LRC/PF/BSfxc

#PAR_def_mode= "memory" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")

RandQpts= 1000000 # [RIM] Number of random q-points in the BZ

RandGvec= 4 Ry # [RIM] Coulomb interaction RS components

CUTGeo= "box z" # [CUT] Coulomb Cutoff geometry: box/cylinder/sphere X/Y/Z/XY..

% CUTBox

0.00000 | 0.00000 | 48.00000 | # [CUT] [au] Box sides

% BndsRnXp

1 | 600 | # [Xp] Polarization function bands

%

NGsBlkXp= 3500 mHa # [Xp] Response block size

% LongDrXp

1.000000 | 0.000000 | 0.000000 | # [Xp] [cc] Electric Field

%

PPAPntXp= 27.21138 eV # [Xp] PPA imaginary energy

% GbndRnge

1 | 600 | # [GW] G[W] bands range

%

GDamping= 0.10000 eV # [GW] G[W] damping

dScStep= 0.10000 eV # [GW] Energy step to evaluate Z factors

DysSolver= "n" # [GW] Dyson Equation solver ("n","s","g")

%QPkrange # [GW] QP generalized Kpoint/Band indices

1| 1| 22|27|

%

GTermEn= 40.81708 eV # [GW] GW terminator energy (only for kind="BG")