I think it is just a problem of memory: it's a rather big job
Paolo
PS: 'dft-d3' or 'DFT-D3', 'dft-D3' is not recognized (note the warning
in the output)
On 17/04/2024 11:20, Vor st via users wrote:
Dear users and developers,
&CONTROL
calculation = 'relax'
etot_conv_thr = 6.0
Dear users and developers,
&CONTROL
calculation = 'relax'
etot_conv_thr = 6.00d-05
forc_conv_thr = 1.00d-04
outdir = './out/'
prefix = 'aiida'
pseudo_dir = './pseudo/'
tprnfor = .true.
tstress = .true.
verbosity = 'high'
tprnfor = .true.
tstress = .true