Dear Peter:
I want to learn how to calculate 4f electron, I do it as FAQ showed:
Open core treatment of 4f(5f) electron? but there is something error after I
modified the case.inc case.in1 case.in2:
first, it shows SELECT error, so I using small mixer parameter;
but it shows Fermi error now,
I want to learn how to calculate 4f electron, I do it as FAQ showed:
Open core treatment of 4f(5f) electron?? but there is something error after
I modified the case.inc case.in1 case.in2:
first, it shows SELECT error, so I using small mixer parameter;
but it shows Fermi error now, and then
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