I am trying to use bader analysis for VASP, and when I try and run it, an error comes up:
"At line 84 of file chgcar_mod.f90 (unit = 100, file = 'CHGCAR') Fortran runtime error: Bad integer for item 1 in list input"
I am not sure if it is anything I need to set specifically in my CHGCAR, and I am using PAW potentials.
Any suggestions would be appreciated, thank you
Error from file chgcar_mod.f90 when running Bader Analysis
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Re: Error from file chgcar_mod.f90 when running Bader Analys
I would be very interested to see this file and understand what is going wrong. If you can upload it, I'll take a look.
CHGCAR_sum file (almost) blank
Dear Graeme,
Thank you for your reply, I see the problem has now been fixed with the new version being released, and my code is working now I have downloaded the new version.
On a different subject, could anybody please give me some ideas on why my CHGCAR_sum file only contains the text "0.0000 0.0000 0.0000 0.0000" and nothing else? I have copied the exact chgsum.pl executable file, and my AECCAR0 and AECCAR2 files look normal to me.
Any ideas would be appreciated,
thank you
Thank you for your reply, I see the problem has now been fixed with the new version being released, and my code is working now I have downloaded the new version.
On a different subject, could anybody please give me some ideas on why my CHGCAR_sum file only contains the text "0.0000 0.0000 0.0000 0.0000" and nothing else? I have copied the exact chgsum.pl executable file, and my AECCAR0 and AECCAR2 files look normal to me.
Any ideas would be appreciated,
thank you