[QE-users] how to restart thermo_pw calculation

rekha sharma rekha1997jpr at gmail.com
Sun Mar 29 13:10:58 CEST 2020


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 =   4.0000000000d-04
  forc_conv_thr =   1.0000000000d-04
  outdir = './out/'
  prefix = 'aiida'
  pseudo_dir = '.'
/

and

 &INPUT_THERMO
  what='mur_lc_elastic_constants',
frozen_ions=.FALSE.
find_ibrav=.TRUE.
 /

Please help me to cure the situation.
Thank you very much in advance.

Best wishes

Ms. Rekha
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