[Wien] 'LAPW2: semicore band-ranges too large error' for spin-orbit calculation

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Apr 23 10:57:25 CEST 2018


Remove the RLOs from As. There are no semicore As-p states.

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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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