WARNING: R0 for atom -4 Z= 83.00 too big
With that I reduced the muffin tin radius for that atom but
eventually I got the
A similar confusion appeared in this list a couple of weeks ago: the
warning is about R0 (=the first radial grid point), so why do you
change de muffin tin radius
Dear All,
I am trying to initialize the calculation with lstart
WARNING: R0 for atom -4 Z= 83.00 too big
With that I reduced the muffin tin radius for that atom but eventually I got
the
0.010 Bi CORE electrons leak out of MT-sphere
as well as the following error:
R0 for atom
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