[Wien] [Wien2k Users] Global Energy parameter

[Stefaan Cottenier]

> In which case the energy parameter is different for d and f orbitals?

In those cases where you do have valence f-electrons, or when the 
f-states are only slightly above E_fermi.

> If they are kept same and that is what I usually do,

Don't make such decisions yourself, unless you have a good reason to do 
so. You can rely on what is given in the in1 file that is generated for you.

> then what would be 
> the implication of having it different in the .in1 file for d and f 
> orbitals?

In many cases, the only difference will be that your total energy is a 
bit higher than it should be (I think).

Stefaan