/usr/share/doc/quantum-espresso/examples/vdwDF_example/reference_G/water.scf.in is in quantum-espresso-data 5.0-1.
This file is owned by root:root, with mode 0o644.
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calculation = 'scf'
restart_mode='from_scratch',
prefix='water_vdw',
tstress = .true.
tprnfor = .true.
pseudo_dir = '/u/cm/degironc/QE/espresso/pseudo/',
outdir='/u/cm/degironc/tmp/'
verbosity = 'high'
/
&system
ibrav = 8
celldm(1) = 15
celldm(2) = 0.954545454545455
celldm(3) = 1.22727272727273
nat = 6
ntyp = 2
occupations = 'fixed'
ecutwfc = 30.0
ecutrho = 180.0
input_dft = 'vdW-DF'
/
&electrons
conv_thr = 1.0d-8
/
ATOMIC_SPECIES
O 15.9994 O.pbe-rrkjus.UPF
H 1.00794 H.pbe-rrkjus.UPF
ATOMIC_POSITIONS {angstrom}
O -0.000000 0.013129 -0.057535
H -0.000000 0.779069 -0.656064
H 0.000000 0.389646 0.845802
O 0.000000 0.887109 2.818248
H -0.774530 0.521469 3.280767
H 0.774530 0.521469 3.280767
K_POINTS gamma
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