[QE-users] restart tag not available in hp.x (qe-6.6)

Rajeev Kumar rajeev4303 at gmail.com
Tue May 18 19:58:50 CEST 2021


Dear Users and Developers,

I am doing hubbard U parameter
estimation for my system following an example as HP/example09.

The scf has been completed( 2hr wall time), but hp.x has not completed
(since convergence has not been achieved for 30hrs) and wall time has
completed.

So I would like restart the calculation but restart tag is not available.
(max seconds is available).

https://www.quantum-espresso.org/Doc/INPUT_HP.html

could you suggest me the ways to run(complete) the job within the time.

thanks in advance and regards,
Rajeev

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N.Rajeev Kumar M.Phil,
Research scholar
Department of Theoretical Physics,
University of madras, (Guindy Campus)
chennai-600025
India
email : rajeev4303 at gmail.com <rajeev4303 at gmail.com>
Mobile :+91-9600136160
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