[Wien] core charge leakage

[Harry John Gotsis]

Dear wien users;

In my calculation for the tetragonal phase
of KDP I've got problems with core charge
leakage in the MT-sphere of phosphorus. I
tried a series of ECORE values and for
ECORE= -9.2 Ry I managed to reduce the
core charge outside RMT to 0.14 electrons
(see attached file):

 WARNING: 0.14039215559246498  CORE electrons leak out of MT-sphere !!!!

Since my spheres for phosphorus and oxygen
are almost touching (SUMS TO 2.87890 LT.
NN-DIST= 2.87900), what else can I do in
order to eliminate core charge leakage?

Regards,

Harry Gotsis
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