<div dir="ltr"><div class="gmail-ii gmail-gt gmail-adP gmail-adO" id="gmail-:120"><div class="gmail-a3s gmail-aXjCH gmail-m156094ba772fcca7" id="gmail-:11z"><div dir="ltr"><div><div><div><div><div><div><div><div><div><div>Dear QE Users,<br><br></div>I am using Espresso-5.2.0 <span class="gmail-il">in</span> Ubuntu 14.04 and facing an issue about plotting the post-processing calculation.<br><br></div>I
have obtained the charge density files to be plotted. However, when I
tried to run the command of plotrho.x, this following error appeared:<br><br>At line 44 of file plotrho.f90 (unit = 1, file = 'MAPIss.rho.dat')<br>Fortran runtime error: Bad real number <span class="gmail-il">in</span> item 13 of list input<br><br></div>I
had checked the plotrho.f90 file and could not identify a way to get rid of
the problem. FYI, I have the output files of pp.x calculation without
having a problem neither with memory usage or crash during the running
process. <br><br></div>Please kindly find both the input and plotrho.f90 files. <br><br></div>Input file:<br>&INPUTPP<br> outdir='/home/efidwiindari/<wbr>MAPI/',<br> prefix='MAPIss'<br> plot_num=0,<br> filplot='MAPIss.rho.dat',<br>/<br>&PLOT<br> nfile=1,<br> iflag=3,<br> output_format=5,<br> fileout='MAPIsscontour3D.xsf'<br> e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,<br> e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,<br> e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,<br> x0(1)=0.0, x0(2)=0.0, x0(3)=0.0,<br> nx=45, ny=45, nz=100,<br>/<br><br>plotrho.f90
file is attached below as the file is quite long. PS : line number 44
is about unit vector which I do not have any idea why the problem arose.<br><br></div>Furthermore,
I did three calculations for three different systems and unfortunately
the problems were still the same. Any comment and/or suggestions would
be really appreciated. <br><br></div>Many thanks <span class="gmail-il">in</span> advance.<br><br></div>Best Regards,<br><br></div><span class="gmail-il">Efi</span> <span class="gmail-il">Dwi</span> <span class="gmail-il">Indari</span><br></div>Research Assistant, Bandung Institute of Technology</div></div></div></div>