QE Users & Devs,
I am attempting to use the linear-response calculation of U values (hp.x). This
operation can take a lot of time, so much that my job times out before it
finished. I’ve attempted to divide the job into q-points using the `start_q`
and `last_q` options.
However, when I do this, I will not get `chi` files when I attempt to calculate
the linear response U value for any range of q-points using the input:
&inputhp
prefix="test",
outdir="./",
nq1 = 3,
nq2 = 3,
nq3 = 3,
start_q = 11,
last_q = 14,
!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.
/
In my HP folder I only see “test.dns.pert_1.q_11.dat” and “test.hub*” and
“test.mixd*” files.
After completing all of the qpoint calculations and attempting to run HP.x with
`compute_hp=.TRUE.` the code informs me that I’m missing “chi” files.
What am I missing to get this to work?
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