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

Dear all,

I tried to generate some pps with fhi98pp. because the pps downloaded from the website have a large ecut to converge in the calculation, I wonder whether there is a way to reduce the ecut in fhi98pp?

For Ga pp, I generated the pp and used to do calculation for GaAs. I found that the lattice constant is nearly, but less than, 3% smaller than that of experimental value. Is this acceptable? I added partial core correction in the pp generation.

Regards

Rongqin