I recompiled lapw1 with LOMAX = 4 but then the scf cycle fails.
As I said before, you also need to recompile lapw2, lapwso and nmr.
The real
problem was the used cut off energy of -11 Ry in init_lapw. That
introduces also too much orbitals in x_nmr -mode in1 and a qtl-b errors
in the first
Dear Prof. Blaha,
I recompiled lapw1 with LOMAX = 4 but then the scf cycle fails. The real
problem was the used cut off energy of -11 Ry in init_lapw. That
introduces also too much orbitals in x_nmr -mode in1 and a qtl-b errors
in the first two loops. After using the default value of -6 Ry fo
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