<div dir="ltr"><div dir="ltr">Dear Users,<div>I want to make a VC relaxation for a 2x2x2 supercell of laMno3 perovskite compound. I tried several approaches. Even though it seems to give a reasonable energy value at first, the energy values become unacceptable. I couldn't find any obvious error in my input file, so it would be nice if you could tell me what I did wrong. Please see the attached input and output files. </div><div>Best regards.</div><div><br></div><div>Yasin</div><div>Sakarya University</div><div><br></div><div><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><table style="border-spacing:0px;border-collapse:collapse;max-width:100%;color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px"><tbody><tr><td style="padding:0px 5px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/logo.png" style="border:0px;vertical-align:middle"></td><td style="padding:10px 15px 0px 0px;color:rgb(6,55,122);font-family:"times new roman""><p style="margin:0px 0px 10px;font-size:13pt;line-height:17.3333px"><br><span style="font-size:12pt">Fen Fakültesi</span> </p></td><td style="padding:0px 10px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/dikey-cizgi.png" style="border:0px;vertical-align:middle"></td><td valign="top" style="padding:10px 0px 0px"><p style="margin:0px 0px 10px;font-size:12pt;line-height:19.2px;color:rgb(109,110,113)"><b>Doç. Dr. Hüseyin Yasin UZUNOK</b> <br><br></p></td></tr></tbody></table><img src="https://ilko.sakarya.edu.tr/img/imza/kurumsal-cizgi.png" style="border:0px;vertical-align:middle;color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px;background-color:rgb(239,239,239)"><span style="color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px;background-color:rgb(239,239,239)"></span><table style="border-spacing:0px;border-collapse:collapse;max-width:100%;color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px"><tbody><tr><td style="padding:10px 20px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/telefon.png" style="border:0px;vertical-align:middle;padding:0px 5px 0px 0px"> <a href="tel:0554+730+01+35" style="background:transparent;color:rgb(71,130,178)" target="_blank">0264 295 61 92</a></td><td style="padding:10px 20px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/mail.png" style="border:0px;vertical-align:middle;padding:0px 5px 0px 0px"> <a href="mailto:hyuzunok@sakarya.edu.tr" target="_blank">hyuzunok@sakarya.edu.tr</a></td><td style="padding:10px 20px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/web.png" style="border:0px;vertical-align:middle;padding:0px 5px 0px 0px"> <a href="http://hyuzunok.sakarya.edu.tr/" target="_blank">http://hyuzunok.sakarya.edu.tr/</a></td></tr></tbody></table><table style="border-spacing:0px;border-collapse:collapse;max-width:100%;color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px"><tbody><tr><td style="padding:10px 20px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/facebook.png" style="border:0px;vertical-align:middle;padding:0px 3px 0px 0px">/ <a href="https://www.facebook.com/H.%20Yasin%20Uzunok" style="background:transparent;color:rgb(71,130,178)" target="_blank">H. Yasin Uzunok</a></td><td style="padding:10px 20px 0px 0px"><img src="https://ilko.sakarya.edu.tr/img/imza/twitter.png" style="border:0px;vertical-align:middle;padding:0px 3px 0px 0px">/ <a href="https://twitter.com/Galanduil" style="background:transparent;color:rgb(71,130,178)" target="_blank">Galanduil</a></td><td style="padding:10px 20px 0px 0px"><br></td></tr></tbody></table><table style="border-spacing:0px;border-collapse:collapse;max-width:100%;color:rgb(102,102,102);font-family:Helvetica,Arial,sans-serif;font-size:13px"><tbody><tr><td valign="top" style="padding:10px 0px 0px;width:30px"><img src="https://ilko.sakarya.edu.tr/img/imza/adres.png" style="border:0px;vertical-align:middle;padding:0px 5px 0px 0px"></td><td style="padding:10px 0px 0px;width:270px">Sakarya Üniversitesi Esentepe Kampüsü Kemalpaşa Mahallesi Üniversite Caddesi Fen Fakültesi Fizik Bölümü  54050 Serdivan/SAKARYA</td></tr></tbody></table></div></div></div></div></div></div></div></div></div></div>
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