Hi to everybody, we are doing some calculations with XSpectra. In particular we are interested in the Si K-edge and we are using Si.star1s-pbe-van_gipaw.UPF and Si.pbe-van_gipaw.UPF as pseudopotentials. These pseudos have 2 projectors for s and p channels, while only one for d channel. Are those pseudopotentials accurate for such calculations?
This because we have read that two projectors/channel are needed, but in our case the transition should be from a s state to a p state, which are augmented with two projectors. Andrea FBK- ECT* Trento Italy
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