<div dir="ltr">Can you please provide the complete input script used and the instructions to reproduce the problem?<div><br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><br><div dir="ltr"><br></div><div dir="ltr"><div style="font-size:13pt;font-family:Arial;color:rgb(58,54,55);margin-bottom:5px"><span style="padding:0px 15px 0px 5px"><b style="color:rgb(51,51,51)">Miguel Carvajal</b>   PhD</span></div><table style="font-size:11px;width:440px" border="0"><tbody><tr valign="top"><td style="max-width:300px;width:70px"><img src="https://s3.amazonaws.com/webapp.wisestamp.com/yopGGIDSjqmVKWiNZWoS_Untitled1.png" alt="photo" style="border-radius:4px;width:120px"></td><td style="font-family:"Arial Narrow",Arial;font-size:8pt;color:rgb(78,75,76);padding-left:10px"><div><span style="font-size:8pt;color:rgb(0,114,177)">Mobile:</span><span style="font-size:8pt"> </span><a style="font-size:8pt">+32 465 35 71 77</a><br></div><div><span style="color:rgb(0,114,177)">Email:</span> <a href="mailto://miguel.carvajalrivero@uantwerpen.be" style="text-decoration:none;color:rgb(78,75,76)" target="_blank">miguel.carvajalrivero@uantwerpen.be</a></div><div><span style="color:rgb(0,114,177)">Address:</span> CMT <a href="https://maps.google.com/?q=Groenenborgerlaan+171,+BE-2020+Antwerpen&entry=gmail&source=g" target="_blank">Groenenborgerlaan 171, BE-2020 Antwerpen</a></div></td></tr></tbody></table>                                      <a href="https://www.facebook.com/erpan.arkin" style="font-size:12.8px;margin-right:0px;color:white;text-decoration:none;border:0px" target="_blank"> </a><a href="https://plus.google.com/+ErpanArkin" style="font-size:12.8px;margin-right:0px;color:white;text-decoration:none;border:0px" target="_blank"> </a><a href="https://www.researchgate.net/profile/Y_Aierken" style="font-size:12.8px;margin-right:0px;color:white;text-decoration:none;border:0px" target="_blank"> </a><a href="https://www.linkedin.com/in/krvajal/" style="font-size:12.8px;margin-right:0px;color:white;text-decoration:none;border:0px" target="_blank"><img src="https://www.uantwerpen.be/images/mailing_images/social_linked.jpg" alt="linkedin logo"> </a><a href="https://www.uantwerpen.be/vcard.aspx?emplid=13497&photo=true&logo=true&lang=EN" style="font-size:12.8px;margin-right:0px;color:white;text-decoration:none;border:0px" target="_blank"><img src="https://www.uantwerpen.be/images/mailing_images/social_card.jpg" alt="vcard logo"></a> <br><div style="padding:10px;border-radius:5px;margin-bottom:20px;color:rgb(0,0,0);font-family:Lato,Arial,San-serif;font-size:14px;line-height:20px"><img src="https://htmlsigs.s3.amazonaws.com/logos/files/000/023/386/landscape/Untitled33.png" alt="CMT group, University of Antwerp" style="border:0px;vertical-align:middle" border="0"></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, Jul 24, 2018 at 8:57 AM Anindya Bose <<a href="mailto:anindya@iiita.ac.in">anindya@iiita.ac.in</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Experts,<br><div>I am facing a problem with point group symmetry 
error.Actually While doing the vc-relax and scf calculation of Graphene,
 my relax.out and scf.out file gives wrong point group information 
D_2h(mmm) rather than d3h(the correct one) and even my scf.out and ph.out showing a
 wrong point group information C_s(m). <br></div><div><br></div><div>The results are enclosed in the following(relax.out)</div><div><br></div><div>    point group C_s (m)    <br>     there are  2 classes<br>     the character table:<br><br>       E     s    <br>A'     1.00  1.00<br>A''    1.00 -1.00<br><br>     the symmetry operations in each class and the name of the first element:<br><br>     E        1<br>          identity                                               <br>     s        2<br>          inv. 180 deg rotation - cart. axis [0,0,1]  <br></div><div><br></div><div><br></div><div>I have tried a lot to change my 
structure but I am still unable to resolve this issues.If anyone faced 
the same issue related to point group symmetry error then please help me
 to solve this difficulty.I will be waiting for the response.</div><div><br></div><div>Thanks and regards,<br>Anindya Bose<br>Research Fellow,<br>Indian Institute of Information Technology Allahabad.
<div class="m_-5662109874147044107gmail-yj6qo"></div><div class="m_-5662109874147044107gmail-adL"><br></div></div><br></div>
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