<div dir="ltr"><div dir="ltr"><br clear="all"><div>Dear Users and Developers,</div><div><br></div><div>I am trying to calculate "all-electron valence charge density" maps in QE6.4.1 but it fails. I have performed a spin-polarized SCF calculation and then I run PP.x to generate plot number 17 but PP.x calculation stops. Interestingly, the same input files (SCF + PP) work fine in QE6.3 and  "all-electron valence charge density" maps are successfully generated. In QE6.4.1 "all-electron valence charge density" maps are generated in non spin-polarized case, but in case of spin-polarized scf calculation PP.x crashes with the following error: </div><div><br></div><div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     task #         0</div><div>     from punch_plot : error #         3</div><div>     spin_component not allowed</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div><div><br></div><div>I have attached sample SCF and PP input files and log files from QE6.3 and QE6.4.1 in the following dropbox foder:</div><div><a href="https://www.dropbox.com/sh/ysytw7l3hp4x1vq/AACZLpeuEUfJ1yBkDzKFQXxCa?dl=0">https://www.dropbox.com/sh/ysytw7l3hp4x1vq/AACZLpeuEUfJ1yBkDzKFQXxCa?dl=0</a> </div><div> <br></div><div><br></div><div style="color:rgb(0,0,0)">Thanks,</div><div style="color:rgb(0,0,0)"><br></div><div style="color:rgb(0,0,0)">Shoaib Muhammad (Ph.D)  <br><div dir="ltr" class="gmail-m_1662782327371854638gmail_signature"><p class="MsoNormal" style="margin:0in 0in 0.0001pt;font-size:11pt;font-family:Calibri,sans-serif">Department of Energy Science</p><p class="MsoNormal" style="margin:0in 0in 0.0001pt;font-size:11pt;font-family:Calibri,sans-serif">Sungkyunkwan University</p><p class="MsoNormal" style="margin:0in 0in 0.0001pt;font-size:11pt;font-family:Calibri,sans-serif">South Korea.</p><p class="MsoNormal" style="margin:0in 0in 0.0001pt;font-size:11pt;font-family:Calibri,sans-serif"><br></p><p class="MsoNormal" style="margin:0in 0in 0.0001pt;font-size:11pt;font-family:Calibri,sans-serif"><br></p></div></div></div></div>