Reply-To: A Mailing list for WIEN2k users
To: A Mailing list for WIEN2k users
Subject: [Wien] problem with YS-PBE0
Dear Wienk Users,
I attempted to do a band structure calculation of a perovskite structure with
YS-PBE0 (standard alpa parameter)
with Wien2k-18.1.
Up to scf and doss, I do not
Dear Wienk Users,
I attempted to do a band structure calculation of a perovskite structure
with YS-PBE0 (standard alpa parameter) with Wien2k-18.1.
Up to scf and doss, I do not see any problem.
But I am not getting optical properties and below is what I am getting in
band.agr file:
My log file
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