Hello,
I tried calculating a SiO2 slab with some adsorbate (optimized with PBE
using PAW) with TPSS, but I'm getting the following error:
task # 80
from cdiaghg : error # 4
eigenvectors failed to converge
I read in the FAQ that this could be caused by bad pseudopotentials. I used
norm-conserving pseudos from PseudoDojo, obtained for PBE. Is it why my
calculation failed? If so, how do I generate (or where do I find) pseudos
for TPSS?
Thanks in advance,
Michal Krompiec
Merck KGaA and Univ. of Southampton
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