How to visualize electrostatic potential file in VNL

[fso002]

Hello,

I want to visualize the electrostatic potential file obtained from a VASP calculation (LOCPOT) with VNL. Do I need to load the CHGCAR file first? Do I need to perform any grid operation on this LOCPOT file? Or can I just simply open the LOCPOT file in the viewer ?

Thank you,
Fernando Soto

[Anders Blom]

I don't understand why you ask. Did you try and it failed? Because if you tried and it worked ... then there is no reason to ask.

[fso002]

Dr. Blom,

I tried to load the file in the viewer and it failed. Then, I tried another file (just in case the 1st one was corrupted) and it failed again. The CHGCAR file opens correctly.

Thanks,

Fernando Soto

[Anders Blom]

Maybe it's not corrupted, but contains something we didn't think about. We'd need to see the file to test ourselves and also fix the problem if needed. There is nothing generally wrong about LOCPOT at least, my own LOCPOT files open fine.

[Yue-Wen Fang]

Hi,

The file format of LOCPOT is completely same to CHGCAR, hence if you can open CHGCAR successfully, you should also open LOCPOT.  However, in your case, it didn't work. I think you may try to check the contents of LOCPOT and the calculation in your VASP.

Bests