Did you try without e's? . Give it a shot. On Sep 6, 2016 12:00 AM, "efi dwi indari" <[email protected]> wrote:
> 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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