[ekt]¶
The [ekt] section selects MRSF-EKT ionization-potential and electron-affinity
channels. Use it with [input] runtype=ekt, [input] method=tdhf, and
[tdhf] type=mrsf.
Keywords¶
ip¶
| Field | Value |
|---|---|
| Type | boolean |
| Default | True |
| Used by | MRSF-EKT ionization-potential channel |
Runs the IP channel.
ea¶
| Field | Value |
|---|---|
| Type | boolean |
| Default | False |
| Used by | MRSF-EKT electron-affinity channel |
Runs the EA channel.
At least one of ip or ea must be true:
[input]
runtype=ekt
method=tdhf
[tdhf]
type=mrsf
nstate=10
[ekt]
ip=true
ea=false