Hello,
I am following a tutorial and the following code was given there-
&control
calculation = 'vc-relax'
prefix = 'Si_exc2'
outdir = './tmp/'
pseudo_dir = '../pseudo/'
etot_conv_thr = 1e-5
forc_conv_thr = 1e-4
/
&system
ibrav=2, celldm(1) =14,
nat=2, ntyp=1,
ecutwfc=30
/
&electrons
conv_thr=1e-7
/
&ions
/
&cell
cell_dofree='ibrav'
/
ATOMIC_SPECIES
Si 28.0855 Si.pbe-n-rrkjus_psl.1.0.0.UPF
ATOMIC_POSITIONS (alat)
Si 0.00 0.00 0.00 0 0 0
Si 0.25 0.25 0.25 0 0 0
K_POINTS (automatic)
4 4 4 0 0 0
I get the following error in CRASH-
[image: image.png]
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