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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