Performing hybrid functionals calculations
The first step when calculating hybrid functionals is to active the hybinp
parameter in the inp-file:
Ga1As1
&input film=F hybinp=T/
3.5213 0.0 2.033
1.1738 3.3199 2.033
0.0 0.0 4.066
1.8897
1.0 1.0 1.0
2
31 0.0 0.0 0.0
7 0.25 0.25 0.25
This causes a number of changes in the inp.xml: