[Pw_forum] nbnd and semicore in PP

[ski2 at mail.uh.edu]

Dear All,

I am wondering if I use PP containing  semicore states in valence state, do I need to count the bands of the semicore states and add into "nbnd"? 

Best Wishes,
Sang-Hwan Kim (Postdoc)
University of Houston


Department of Chemistry
University of Houston
136 Fleming Building
Houston, TX 77204-5003
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