Dear Sir,
May I ask you how to restart thermo_pw calculation?
My job was terminated due to wall time.
My input is
&CONTROL
calculation = 'scf'
etot_conv_thr = 4.00d-04
forc_conv_thr = 1.00d-04
outdir = './out/'
prefix = 'aiida'
pseudo_dir = '.'
/
and
&INPUT_THER
Dear QE users,
I want to relax germanene nanoribbons using variable cell (vc-relax).
In the name list *&cell *what should be celldo_free parameter set to.
I am attaching the input file being used by me.
Thank you,
Ankit Sirohi.
Ph.D Scholar
Department of Electrical Engineering.
IIT Patna.
GeACH
