[QE-users] Recovering ph.x calculation
Luiz Gustavo Davanse da Silveira
lgsilveira at fisica.ufpr.br
Wed Jul 1 19:58:10 CEST 2020
Dear QE users,
I am performing phonon density of states and phonon dispersion
calculation, but after some days running the first representation for the
4th q-point didn't converge and the calculation stopped. I tried to resume
the calculation including recover = .true., low_directory_check = .true.
and reducing alpha_mix(1) in the input file but got the following error:
Error in routine check_initial_status (1):
recover file found, change in start_q not allowed
Does anyone know how to solve this?
The complete input can be found bellow:
phonon calculation.
&inputph
outdir = './outdir'
prefix = 'niti',
alpha_mix(1) = 0.4
recover = .true.
low_directory_check = .true.
tr2_ph = 1.0d-14
ldisp = .true.
nq1 = 4, nq2 = 4, nq3 = 4
fildyn = 'niti.dyn'
/
Best regards,
Luiz G. D. Silveira
UFPR - Brazil
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