Hi,all:
I generated Au pseudopotential with GGA-PBE scheme. After that, I use
it in the calculation of Au(111) surface. However, an error occurs which
says:
GHOST: WARNING: Ghost state for L = 0
GHOST: No ghost state for L = 1
GHOST: No ghost state for L = 2
GHOST: No ghost state for L = 3
KBgen: WARNING: Ghost states have been detected
KBgen: WARNING: Some parameter should be changed in the
KBgen: WARNING: pseudopotential generation procedure.
ERROR STOP from Node: 0
I have no idea how to deal with the ghost state. Here's my input for
pseudopotential generation of Au. Does anyone know how to change the
parameter in this file and why?
pe
tm2 2.50
n=Au c=pbr
0.0 0.0 0.0 0.0 0.0 0.0
12 4
6 0 1.00 0.00
6 1 0.00 0.00
5 2 10.00 0.00
5 3 0.00 0.00
2.59 2.71 2.59 2.59 0.0 0.0
Xiao
