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<div class="moz-cite-prefix">It means you started with a magnetic
trial solution and at the end of the vc-relaxation the final
configuration is not magnetic. Is this correct or an artifact of
the relaxation history ?<br>
To understand this the code performs a new scf calculation in the
final configuration starting from scratch with the original
starting_magnetization.<br>
Does the magnetization vanish again and the relaxation was correct
or is it finite and one should continue the relaxation ? only you
knows the answer to this question.<br>
<br>
stefano<br>
<br>
On 21/06/2017 22:10, Manu Hegde wrote:<br>
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cite="mid:CA+g44DvZZ2MSZOkpjxbmKa=-2hUT_GYO5J0bSWoK_5yOBv5geg@mail.gmail.com">
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<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">Okay, thanks.
How to avoid that statement?. Which means structure is
non-magnetic?<br>
<br>
<br>
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<div class="gmail_extra"><br>
<div class="gmail_quote">On Wed, Jun 21, 2017 at 4:04 PM,
stefano de gironcoli <span dir="ltr"><<a
href="mailto:degironc@sissa.it" target="_blank"
moz-do-not-send="true">degironc@sissa.it</a>></span>
wrote:<br>
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.8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div class="m_-6913569437476704924moz-cite-prefix">this is
not an error, it's a statement of what the code does and
why.<br>
stefano
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<div class="h5"><br>
<br>
On 21/06/2017 22:01, Manu Hegde wrote:<br>
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<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif"><br>
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<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">Hello,<br>
<br>
</div>
<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">I
was performing 'vc-relax' calculation (LSDA) i
found this message after few cycles. After
performing scf calculaion run stopped. (using QE
5.4)<br>
</div>
<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif"><br>
<br>
lsda relaxation : a final configuration with
zero<br>
absolute magnetization
has been found<br>
<br>
the program is checking if it is really the
minimum energy structure<br>
by performing a new scf iteration without
any "electronic" history<br>
<br>
<br>
</div>
<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">Thanks<br>
</div>
<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">Manu
Hegde<br>
<br>
</div>
<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif">(PDF,
University of Waterloo)<br>
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<div class="gmail_default"
style="font-family:arial,helvetica,sans-serif"><br>
<br>
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