[gpaw-users] Convergence issue with mBEEF

[mohnish pandey]

Dear all,

I am trying to do some test calculations with mBEEF functional for some
solids like ZnO. But I am facing difficulty in converging the calculations.
I tried tweaking mixing, Fermi temperature etc, but it didn't help. Would
really appreciate if somebody helps me out with the issue. Thanks a lot in
advance.

-- 
Regards,
Mohnish,
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Mohnish Pandey,
PhD Student,
Center for Atomic-scale Materials Design,
Department of Physics,
Technical University of Denmark
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