ROKS with DIAGONALIZATION and MIXING
Xiaoming Wang
wxia... at gmail.com
Thu May 3 19:30:15 UTC 2018
Hi All,
It seems that ROKS with DIAGONALIZATION works only with DIRECT_P_MIXING,
although the convergence is really bad. For any other mixing method, say
BROYDEN
and PULAY, I always got segfault error after the first iteration step. I
want to confirm
whether the above thing is true or not.
Best,
Xiaoming
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