[QE-users] Is wfcdir still functional?
Daniel Marchand
daniel.marchand at gmail.com
Tue Oct 6 23:08:47 CEST 2020
I am trying to make use of the wfcdir setting, but it seems that it does
nothing. For example, the code below works fine but wavefunction files are
saved to the outdir and not the wfcdir. I saw a post from 2011 that wfcdir
was working back then, but does anyone know if it's been deprecated?
Best,
Daniel Marchand (PhD student EPFL)
&CONTROL
calculation = 'scf'
disk_io = 'low'
etot_conv_thr = 1.0000000000d-05
forc_conv_thr = 1.0000000000d-04
outdir = MY_OUT_DIR
wfcdir = MY_WFC_DIR
prefix = 'aiida'
pseudo_dir = './pseudo/'
verbosity = 'high'
/
&SYSTEM
ecutrho = 360
ecutwfc = 30
hubbard_u(2) = 4.4062500000d+00
ibrav = 0
lda_plus_u = .false.
lspinorb = .true.
nat = 2
nbnd = 21
noncolin = .true.
ntyp = 2
occupations = 'tetrahedra_opt'
/
&ELECTRONS
conv_thr = 1.0000000000d-08
/
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