<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial"><div>Dear QE developers:</div><div><br></div><div>When I calculate the pdos using projwfc.x, I get the following results in prefix.pdos_tot</div><div>---------------------------------------------------------</div><div># ik </div><div> E (eV) dosup(E) dosdw(E) pdosup(E) pdosdw(E)</div><div> 1 </div><div>-56.130 0.206E-02 0.206E-02 0.206E-02 0.206E-02</div><div> 1 </div><div>---------------------------------------------------------</div><div><br></div><div>I found the following format control lines in partialdos.90, like line 166:</div><div>---------------------------------------------------------</div><div> WRITE (4,'("# ik "), advance="NO"')</div><div><br></div><div>---------------------------------------------------------</div><div><br></div><div>When the code is compiled, the compiler told me:</div><div>---------------------------------------------------------</div><div>partialdos.f90(166): warning #8043: The extra characters in the format specification will be ignored. ['("# ik "), advance="NO"']</div><div> WRITE (4,'("# ik "), advance="NO"')</div><div>--------------------------------^</div><div>---------------------------------------------------------</div><div><br></div><div>So It seems that the ' is placed in the incorrect position.</div><div><br></div><div>When it is modifiled as:</div><div>---------------------------------------------------------</div><div>WRITE (4,'("# ik ")', advance="NO")</div><div><br></div><div>---------------------------------------------------------</div><div><br></div><div>The output prefix.pdos_tot seems correct:</div><div>---------------------------------------------------------</div><div># ik E (eV) dosup(E) dosdw(E) pdosup(E) pdosdw(E)</div><div> 1 -56.130 0.206E-02 0.206E-02 0.206E-02 0.206E-02</div><div>---------------------------------------------------------</div><div><br></div><div>What I use:</div><div>QE version: 5.2.1</div><div>Fortran compiler: Intel composer_xe_2015</div><div><br></div><div>Thanks for providing the QE package.</div><div><br></div><div>Regards</div><div><br></div><div>Shujun Hu</div></div><br><br><span title="neteasefooter"><p> </p></span>