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<body class='hmmessage'><div dir='ltr'><div>Dear wien2kwannier developer</div><div><br></div><div>i am a novice wien2k user.i am running wien2k version 14.1</div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">i have studied the electronic properties of an anti-perovskite</span></div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);"> with GGA+U appr</span><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">oximation.</span></div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">but i have a problem </span><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">the band structure show a gap in the spin up but the density of state doesn't show this gap.</span></div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">how to solve this problem?</span></div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);">i would really appreciate your feedback .thank you!</span></div><div><span style="color: rgb(29, 33, 41); font-family: helvetica, arial, sans-serif; font-size: 14px; line-height: 19.32px; background-color: rgb(255, 255, 255);"><br></span></div><br><div><hr id="stopSpelling">From: kheir31@live.fr<br>To: wien@zeus.theochem.tuwien.ac.at<br>Subject: question<br>Date: Fri, 1 Jul 2016 11:01:35 +0100<br><br>
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<div dir="ltr"><pre style="font-family:courier, "courier new", monospace;font-size:14px;white-space:pre-wrap;word-wrap:break-word;line-height:19.6px;background-color:rgb(255, 255, 255);"><br></pre><div>Dear wien2kwannier developer</div><div><br></div><div>i am a novice wien2k user.i am running wien2k version 14.1</div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">i have studied the electronic properties of an anti-perovskite</span></div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);"> with GGA+U appr</span><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">oximation.</span></div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">but i have a problem </span><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">the band structure show a gap in the spin up but the density of state doesn't show this gap.</span></div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">how to solve this problem?</span></div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);">i would really appreciate your feedback .thank you!</span></div><div><span style="color:rgb(29, 33, 41);font-family:helvetica, arial, sans-serif;font-size:14px;line-height:19.32px;background-color:rgb(255, 255, 255);"><br></span></div> </div></div> </div></body>
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