How to check the Convergence Performance using VASP.6.5.0

[manoj_wijesingha]

Hi Colleagues,
Previously, I used VASP.6.3.2 for my computational simulations. Using this version, we can check the convergence performance (whether it's close to optimizing or not) by "grep RMS/FORCES OUTCAR". Right now, I use the latest version VASP.6.5.0. To check the convergence performance, the command "grep RMS/FORCES OUTCAR" is not working because there are not any generated RMS values. Could you please let me know how I can check the convergence performance when running the simulations by the VASP.6.5.0.
Thank you.

[alexey.tal]

Dear manoj_wijesingha,

Thank you for your question.

We usually don't change the output too much and try to keep it consistent with the older version of VASP. Nevertheless, some changes are inevitable. Could you please show the OUTCAR files and what lines have changed in VASP 6.5.0 compared to VASP 6.3.2? Also, you can see this page to better understand how to interpret the output in the structure relaxation calculation.

Best wishes,
Alexey

[manoj_wijesingha]

Hi Alexey,
Thank you so much reached out this and your information. I have attached the difference between the two versions in OUTCAR file (I did not mean the energy and other parameters of the system). My question was that is there any way to find the convergence performance during the calculation in VASP.6.5.0 (this "grep RMS/FORCES OUTCAR" worked for VASP.6.3.2).
Thank you

Best
Manoj.

[alexey.tal]

The output you are showing in your OUTCAR comes from VTST, which is not a part of VASP. I assume that your VASP 6.3.2 was patched and VASP 6.5.0 wasn't.

[manoj_wijesingha]

Hi Alexey,
Thank you for the clarification. Yes, I patched the VTST codes on the VASP 6.3.2.

Best Regards,
Manoj