Official and Community Support for VASP
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Hello! I am using the compiled 6.2.1 version of vasp and I have noticed that it gives me wrong ΔΕ display, in ionic steps. So, even my ionic steps
are the same: E0=-2205.3267 eV for 10 continuous steps, the ΔΕ=-0.018511, which is not true. Do you know why I have this problem, or have you dealt with this issue?
Dear mariagia,
Could you please provide all relevant input and output files for your calculations according to the forum guidelines?
Best regards,
Alexey
Dear Alexey,
here you can find the most important files.
I couldn't upload the OUTCAR because it's too big. If you need it though, let me know.
The dE here is calculated as entropy multiplied by smearing \(\sigma\). You can see the description of the OSZICAR output on our wiki.