## How to use self-consistent potential correction in vasp.6.2

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kenta_chokawa1
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Posts: 2
Joined: Mon Nov 18, 2019 6:28 am

### How to use self-consistent potential correction in vasp.6.2

Hello,
I found the announcement that "self-consistent potential correction for charged periodic systems " is implemented in the VASP.6.2.0.
I want to use this correction and examine the thermodynamic level of some vacancy defects, but i cannnot find any information about this method.
Are there any calculation samples or manuals available?

chengcheng_xiao1
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Posts: 16
Joined: Sun Nov 17, 2019 6:23 pm
Location: London, UK
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### Re: How to use self-consistent potential correction in vasp.6.2

kenta_chokawa1
Newbie
Posts: 2
Joined: Mon Nov 18, 2019 6:28 am

### Re: How to use self-consistent potential correction in vasp.6.2

Hi Xiao,
Thanks for a quick reply. I followed this tutorial and was able to do the some tutorial calculations.
However, the "damping" function did not work when I used the following input. Should I set up other inputs?

# Initial Guess
ISTART = 1 ;
ICHARG = 1 ;

LWAVE = F ;
LCHARG = F ;

NPAR = 2 ;
NELECT = 254.0 ;

# Functional Definition
GGA = PE ;

LREAL = Auto ;

# Ionic Relax.
IBRION = -1 ;
ISIF = 0 ;
NSW = 0 ;

SCPC {
USE = T ; turning on the SCPC method
IN = 1 ; starting on the first cycles
QTOT = -2.00 ; formal defect charge
DIEL = 5.85 ; macroscopic dielectric
PRTX = T ; printing the averages on the X direction
PRTY = T ; printing the averages on the Y direction
PRTZ = T ; printing the averages on the Z direction
RXCUT = 0.15 ; damping region on X direction for the model charge
RYCUT = 0.15 ;
RZCUT = 0.15 ;
}