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["Wu Rongqin" <g0203654@nus.edu.sg>]

Dear all,

I am using fhi98pp to generate some pseudopotentials but encounter some problems.

1, how to determine which component should be chosen as local potential？

2, how to determine the maximum angular momentum up to which the nonlocal potentials are to be generated ( lmax in the input file)?

3, when raising the Rcutoff cannot remove the ghost state, then what can we do?

 

Thanks

 

Rongqin Wu