[Pw_forum] Problem In Creating Contour 3D

[efi dwi indari]

Dear QE Users,

I am using Espresso-5.2.0 in Ubuntu 14.04 and facing an issue about
plotting the post-processing calculation.

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:

At line 44 of file plotrho.f90 (unit = 1, file = 'MAPIss.rho.dat')
Fortran runtime error: Bad real number in item 13 of list input

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.

Please kindly find both the input and plotrho.f90 files.

Input file:
&INPUTPP
 outdir='/home/efidwiindari/MAPI/',
 prefix='MAPIss'
 plot_num=0,
 filplot='MAPIss.rho.dat',
/
&PLOT
 nfile=1,
 iflag=3,
 output_format=5,
 fileout='MAPIsscontour3D.xsf'
 e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,
 e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,
 e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,
 x0(1)=0.0, x0(2)=0.0, x0(3)=0.0,
 nx=45, ny=45, nz=100,
/

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.

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.

Many thanks in advance.

Best Regards,

Efi Dwi Indari
Research Assistant, Bandung Institute of Technology
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