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<p>Dear Arkadeep Marik <br>
</p>
<p>If you just copied the configuration and started from scratch a
new relaxation everything should work fine as it worked for the
firts run. It is difficult to say what it went wrong without
seeing the new input, might be some error in giving in input the
new configuration or it just could be that you left in the input
some path ( like pseudo_dir for example ) that is still pointing
to the directory of the old run, or one of many trifles like this.
</p>
<p>kind regards - Pietro<br>
</p>
<br>
<div class="moz-cite-prefix">On 19/08/2018 19:49, Arkadeep Marik
wrote:<br>
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cite="mid:CAGBv2swhHRy4gTpk8x8=hT4iqq82m8h-JOLrnewkkaxG1s5Mpg@mail.gmail.com">
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<div>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?</div>
<div>Tanhk you in advance.<br>
</div>
<div><br>
-- <br>
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data-smartmail="gmail_signature">
<div dir="ltr">Arkadeep Marik</div>
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