Questions for Tkatchenko Scheffler vdW correction in VASP 5.3.3

[linusjoonho]

hi. When I performed dft-ts, I got a weird message in the standard output:
total electrons 64.2227034838741
augmentation electrons -2.09773098492073
soft electrons 46.0918812708843
total electrons 43.9941502859636

The total number of electrons in the system is 44, so the last line makes sense. However, the first line counts the total number of electrons in a wrong way. Do you think it's an error?

I used only IVDW=2 in INCAR file for dft-ts. All the other parameters for dft-ts were default. (I did not specify them.)

Also, I saw the post: http://cms.mpi.univie.ac.at/vasp-forum/ ... hp?4.12362

From my understanding, the method requires the use of POTCAR.5. I really have no idea about this file. Do you know what it is and where i can get it?

Cheers,
Joonho.

<span class='smallblacktext'>[ Edited ]</span>

[support_vasp]

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