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<p style="margin-top: 0px; margin-bottom: 0px;"><span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br>
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<p class="elementToProof" style="margin-top: 0px; margin-bottom: 0px;"><span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Hello all~</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I'm now calculating the "vc-relax" of EuTiO3 material using Scalar relativistic pseudopotentials.
This material is antiferromanetic since Eu atoms consist of up & down magnetization uniformly.</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Recently, the problem occured while calculating "vc-relax" . The error message is as follows:</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">--------------------------------------------------------------------</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Error in routine natomwfc_per_atom (1):</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">m_start > m_end</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">--------------------------------------------------------------------</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I don't know how to solve this problem. Although I searched the internet to solve this problem,
I couldn't find appropriate solution.</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Please help me.</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Thank you.</span></p>
<p class="elementToProof" style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> </span></p>
<p class="elementToProof" style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">P.S I attach Input file("scf.in") & Output one("stdout.txt").</span></p>
<p class="elementToProof" style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br>
</span></p>
<p class="elementToProof" style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br>
</span></p>
<p style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Yongsik Lym</span></p>
<p class="elementToProof" style="text-align: left; text-indent: 0px; background-color: rgb(255, 255, 255); margin-top: 0px; margin-bottom: 0px;">
<span style="letter-spacing: 0pt; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Gwangju Institute Science & Technology.</span></p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>보낸 사람:</b> 임용식<br>
<b>보낸 날짜:</b> 2024년 2월 14일 수요일 오후 3:17<br>
<b>받는 사람:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>제목:</b> [Probelm] Error in routine natomwfc_per_atom (1): m_start > m_end</font>
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<p class="x_elementToProof" style="margin-top:0px; margin-bottom:0px"><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Hello all~</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">I'm now calculating the "vc-relax" of EuTiO3 material using Scalar relativistic pseudopotentials. This
material is antiferromanetic since Eu atoms consist of up & down magnetization uniformly.</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Recently, the problem occured while calculating "vc-relax" . The error message is as follows:</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">--------------------------------------------------------------------</span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Error in routine natomwfc_per_atom (1):</span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">m_start > m_end</span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">--------------------------------------------------------------------</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">I don't know how to solve this problem. Although I searched the internet to solve this problem, I couldn't
find appropriate solution.</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Please help me.</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Thank you.</span></p>
<p><span style="font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)"> </span></p>
<p><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Yongsik Lym</span></p>
<p class="x_elementToProof"><span style="letter-spacing:0pt; font-family:Aptos,Aptos_EmbeddedFont,Aptos_MSFontService,Calibri,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">Gwangju Institute Science & Technology.</span></p>
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