[Wien] LAPW2: semicore band-ranges too large

Luis Ogando lcodacal at gmail.com
Mon Sep 25 20:56:17 CEST 2017


Dear Wien2k community,

   My system is a molecule (H, C and N) with vacuum along "y" and "z".
   After optimizing the structure using only the Gamma point (large cell)
and iqtlsave = 0, I am trying to get the DOS using more k-points.
   To do this, I turned iqtlsave on (iqtlsave=1) and I am getting the
message "LAPW2: semicore band-ranges too large". Should I worry about this ?
   Thank you very much.
   All the best,
                    Luis
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