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Token NRMIX= of cast integer (optional)

Determines the number of previous iterations in the charge density to mix when making a sphere self-consistent. Anderson mixing is used to mix the charge density to facilitate convergence. Practical experience has shown that NRMIX=2 works well (this is the default), and normally you should not need to worry about this parameter. It may occasionally happen that the sphere program will not converge with Anderson mixing, in which case you should set NRMIX to 0.

O. Jepsen
Thu Oct 12 14:48:45 MESZ 2000