Y 39
GGA-PBE loggrid 2001
5 5 4 0 0 0   
4 2 1
5 1 0 
0 0 0 
c 
c 
c 
v
v 
c
c 
v
v 
c 
v 
2
2.0
n 
n 
y 
2 
n 
VANDERBILT   
3 0
2.0
2.0
2.0
2.0
2.0
2.0
0