[Wien] open core treatment
Yongbin Lee
yblee at iastate.edu
Mon Mar 3 16:06:16 CET 2008
Dear Igor
Just onething that you didn't comment about.
In *.in1(linr 4), one had to change not olny "El"(energy parameter) but
also "de"(energy increment should be "0" for 4f electron) for open-core
calculation.
Have you changed that parameter for your calculation ?
Best
Yongbin
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