[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200329/9f84a44e/attachment.html>
More information about the users
mailing list