[Wien] inst file editing

[Stefaan Cottenier]

> The problem is that in my crystal Si has 2s has  ~ -10.2 Ry. If I want 
> cutoff core level between 1s ans 2s lstart does not accept any value 
> above -10 Ry.
> How does one get around this problem? I thought modifying inst to 
> create a He core would do the job.

Never tried to do that. One could of course put the energies manually in 
case.in1, adjust the number of electrons in case.in2 and modify 
case.inc, but I don't dare to predict whether that is sufficient. Do you 
really need such a deep state as a valence state??

Stefaan


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