[QE-users] vc-relax crashes

[Fariba Islam]

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]
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200315/3d6a464a/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image.png
Type: image/png
Size: 17394 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200315/3d6a464a/attachment.png>