[Wien] HoMnO3

John Rundgren jru at kth.se
Tue May 25 16:12:04 CEST 2010


Dear W2k experts,
HoMnO3 (30 atoms/unit cell and f-electrons) stops with charge not
converged after 40 iterations.

A lower mixing factor can be set in case.inm. 

Where can the max number of iterations be redefined? The dayfile
starting with the remark "lapw0 (40/99 to go)" seems to indicate that
the iterations terminate in two ways.

Grateful for hints,
John, KTH




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