[QE-users] HP calculation can't find chi files after dividing calculations along q-points and perturbed atoms

[O'Brien, Christopher John]

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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