<div dir="ltr"><div><div><div><div><div>Dear all,<br><br></div>I start to calculate phonon with SOC , and the program created .dyn.xml<br><br></div>But when I start to calculate q2r.x and matdyn, it gives me an error:  STOP 1<br>At line 798 of file matdyn.f90 (unit = 1, file = '')<br>Fortran runtime error: File 'tinisn_scfsoc.fc' does not exist<br>  <br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine q2r (1):<br>     error reading input namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><br><br><br></div><a href="http://q2r.x.in">q2r.x.in</a> : #!/bin/sh -f<br><br><br>PREFIX="tinisn_scfsoc"<br>#--------------------------------------<br><br># q2r<br>cat > $<a href="http://PREFIX.q2r.in">PREFIX.q2r.in</a> << EOF<br>&input<br>        fildyn='$PREFIX.dyn.xml',<br>        zasr='simple',<br>        flfrc='$PREFIX.fc'<br>EOF<br><br>/home-fs4/hp0273/espresso-5.2.1/PHonon/PH/q2r.x  < $<a href="http://PREFIX.q2r.in">PREFIX.q2r.in</a> | tee  $PREFIX.q2r.out<br>~                                                                                                                                                                                        <br>~                                                                                                 <br></div>Best,<br></div>Maedeh Zahedifar<br></div>