QE Users,
I’ve divided my HP calculation into three separate runs each with 4 q-points,
and perturbing each of the two Fe atoms I want to perturb separately using:
&inputhp
prefix="Fe3O4",
outdir="./",
nq1 = 3,
nq2 = 3,
nq3 = 3,
start_q = 1,
last_q = 5,
!find_atpert = 2,
perturb_only_atom(2) = .TRUE.,
thresh_init = 0.01,
alpha_mix = 0.1,
conv_thr_chi=5.0e-6,
iverbosity = 2,
compute_hp = .FALSE.
&
After completing all q-points, I can't find chi files needed for `compute_hp =
.TRUE.`. My HP directories only contain files like :
BiFeO3.dns.pert_1.q_1.dat
BiFeO3.dns.pert_2.q_1.dat
Is there another step to needed to create Chi files when parallelizing q-point
calculations?
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