[Wien] core hole
波 康
wientwok at yahoo.com.cn
Mon Jul 23 03:59:36 CEST 2007
Dear wien users,
I have ask the question about the core hole. But I alse have some problems.
I have removed an electron from case.inc and add this electron in case.in2c before scf. But should I remove this electron from case.in2c and add it back to case.inc after scf and before calculate the spectra.
Any reply will be appreciated!
BoKang
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