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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear Mohsen,<br>
<br>
Thank for your answer.<br>
I didn't get this message. The calculation seems to terminate correctly. I just wonder if the problem that I mention earlier is an error or there is another interpretation. Do u have any ideas?<br>
<br>
Best,<br>
Seiha.<br>
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<div style="direction: ltr;" id="divRpF684049"><font color="#000000" face="Tahoma" size="2"><b>From:</b> pw_forum-bounces@pwscf.org [pw_forum-bounces@pwscf.org] on behalf of Mohsen Modaresi [modaresi.mohsen@gmail.com]<br>
<b>Sent:</b> Sunday, August 17, 2014 7:28 AM<br>
<b>To:</b> PWSCF Forum<br>
<b>Subject:</b> Re: [Pw_forum] lattice parameter in 'vc-relax' mode doesn't change<br>
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<div>Dear Sokseiha,<br>
<br>
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May be you faced with, <br>
<br>
"Message from routine stres:<br>
noncollinear stress + GGA not implemented " . <br>
<br>
I think developers should add a warning term for this message.<br>
<br>
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<div>Best,<br>
</div>
<div><br>
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<div class="gmail_extra"><br>
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<div class="gmail_quote">On Sun, Aug 17, 2014 at 7:03 AM, Sokseiha Muy <span dir="ltr">
<<a href="mailto:sokseiha@mit.edu" target="_blank">sokseiha@mit.edu</a>></span> wrote:<br>
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<div style="direction:ltr; font-family:Tahoma; color:#000000; font-size:10pt">Dear all QE users,
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</div>
<div>I'm using QE to study the properties of BaF2 which is a cubic material. I notice that when I used the option 'vc-relax' to optimized my structure, in the output the volume of the unit cell change as expected but the lattice parameter is the same for every
step. Since the unit cell is cubic, it is contradictory that the volume change while the lattice parameter remains constant.</div>
<div>Is this an error or is there any explanation that I'm not aware of?</div>
<div><br>
</div>
<div>Thank you in advance for your help.</div>
<div>Seiha.</div>
<span class="HOEnZb"><font color="#888888">
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<div>Sokseiha MUY,</div>
<div>Department of Materials Science and Engineering,</div>
<div>MIT.</div>
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</blockquote>
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<br>
-- <br>
<div>Mohsen Modarresi, </div>
<div>PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.<br>
Phone +98-9133452131</div>
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