Hello all,
I tried to use DFT+U with SG15 pseudopotentials (from SG15 library, 2020 version). First element in my structure is "Mn". I immediately got this error message:
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Error in routine offset_atom_wfc (1):
wrong offset
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Looking at the archives for similar error message, I found that it is related that atomic element is not defined in "tabd.f90". But certainly Mn element is implemented.
When I changed pseudopotentials to different one, no such message appears.
Could it mean that SG15 pseudopotentials are not suitable for the DFT+U calculations?
Thanks,
Sergey
USF
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