[QE-users] Query reg. restart pw.x

Arkadeep Marik arkadeep2physics at gmail.com
Sun Aug 19 19:49:16 CEST 2018


I am very much new to Quantum Esspresso. I submitted a vc-relax job in
pw.x. Unfortunately It stopped after 50 steps ( which I should have changed
before submission). Now I wanted to restarted the job by copying only the
last available coordinates and cell parameters to a new input file in  a
new folder. All the wavefunction related commands or flags are at default
values. After submitting the job within a minute it stops. Somehow I
figured out that the problem may be related to accessing the previous
wavefunction files. So I copied all the previous wavefunction and other
available files to the new temporary folder. but that also did not work.
Can you tell how can I simply restart this vc-relax?
Tanhk you in advance.

-- 
Arkadeep Marik
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