Dear All,
When I am plotting real and imaginary part of dielectric constant from p4vasl using vasprun.xml, it is showing opposite trend whatever values in OUTCAR file for real and imaginary part.
Why p4vasp is giving opposite trend ? I have attached here p4vasp snapshot of dielectric plot.
Dear Dr. Shilendra,
I also found the same observation. But, as you have already written, if we plot the same using the data obtained from OUTCAR file, then in my case it matched with the reported ones. So, i think P4vasp is doing something funny in this case. It was just my observation.
With Regards,
Payal.
Hi Payal,
If I am extracting dielectric function imaginary and real values from script then I am getting right trend as reported in literature for my compound.
Just I wanted to confirm, it is p4vasp problem or my calculation mistake !
Thanks for your reply !
Shilendra
Hello all,
In my VASP calculations, my calculated value for dielectric constant is not matching with the reported data. So when i extract data from the MEDEA plotted dielectric constant plot it is entirely different with the data what i can see in the DOSOUTCAR file for dielectric constants.
Iam totally confused whether it is the glitch at the software end in the plot plotting or my calculation is wrong as my plot is not matching with the reported values in literature.
kindly help me..
Should I plot the dielectric constant taking data from the OUTCAR .
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