<div dir="ltr"><div>Please try the following patch - Paolo<br></div><div><br></div><div dir="ltr">diff --git a/PP/src/punch_plot.f90 b/PP/src/punch_plot.f90<br>index 2800ec329..0cbe56855 100644<br>--- a/PP/src/punch_plot.f90<br>+++ b/PP/src/punch_plot.f90<br>@@ -241,8 +239,6 @@ SUBROUTINE punch_plot (filplot, plot_num, sample_bias, z, dz, &<br>            raux(:) = ( raux(:) + rho%of_r(:,nspin) )/2.0_dp<br>         ELSE IF ( spin_component==2 ) THEN<br>            raux(:) = ( raux(:) - rho%of_r(:,nspin) )/2.0_dp<br>-        ELSE<br>-           CALL errore('punch_plot','spin_component not allowed',3)<br>         ENDIF<br>      END IF<br>      !<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, May 8, 2019 at 9:00 PM Shoaib Muhammad <<a href="mailto:mshoaibce@gmail.com">mshoaibce@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><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" target="_blank">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_-7112863328000491557gmail-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>
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<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>